| 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 | 39.4 | Very low | 35.4 | Very low | 244 Ų | 244 | 155 Ų | 155 | 100% | 1.202 | 86% | 0.856 | S | S | * | * | 0 | 96.6 | 0 | -72.4 | -77.9 | -92.7 | 0 | 0 | 107.5 | |||||
| 2 | A | 39.3 | Very low | 35.3 | Very low | 85 Ų | 85 | 155.6 Ų | 155.6 | 70% | 0.702 | 85% | 0.848 | S | S | * | * | trans | -76.7 | 175.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | P | 47.9 | Very low | 35 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 86% | 0.864 | 85% | 0.854 | S | S | * | * | -136 | 156.4 | 95 | 33.4 | -19.5 | 0 | 0 | 0 | 115 | |||||
| 4 | K | 38.5 | Very low | 34.5 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -91.9 | 154.4 | 168.7 | -62.2 | 175.8 | 172.3 | -179.1 | 0 | 109.8 | ||||
| 5 | S | 34.9 | Very low | 34.6 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | trans | -170.8 | 118 | 132.5 | 58.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | C | 29.5 | Very low | 34.6 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | 106.2 | 116.6 | 78.2 | -78.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 7 | Q | 30.6 | Very low | 34.3 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | -171 | 119.7 | 103 | -158.2 | 150.6 | -4.9 | 0 | 0 | 110.6 | |||||
| 8 | E | 29.8 | Very low | 34.7 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 153 | 165.3 | -82.8 | 157.4 | 145 | 0 | 0 | 111.3 | ||||
| 9 | S | 35.2 | Very low | 34.4 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -139.1 | 104.5 | 139.6 | 58.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | E | 32.7 | Very low | 34 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | -72.7 | 141.7 | 162 | -65.9 | 177.4 | 123.5 | 0 | 0 | 108.7 | ||||
| 11 | D | 32 | Very low | 33.7 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -145.2 | 116.5 | 139.1 | -99.3 | -30.6 | 0 | 0 | 0 | 108.5 | ||||
| 12 | E | 33.9 | Very low | 33.3 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | trans | -81.6 | 129.7 | 178 | -177.6 | -177.2 | -174 | 0 | 0 | 108.8 | ||||
| 13 | Q | 31.1 | Very low | 33.5 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -154.6 | 131.1 | 145 | -119.6 | 166.4 | 55.5 | 0 | 0 | 114.6 | ||||
| 14 | V | 28.9 | Very low | 32.4 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 145.3 | -172.7 | 162.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | S | 35.5 | Very low | 31.9 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -58.3 | 152.8 | 168.6 | -46.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | P | 34.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -141.9 | 138.2 | 123.7 | 33.3 | -17.7 | 0 | 0 | 0 | 114.2 | |||||
| 17 | A | 28.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 160.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 18 | P | 42.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | cis | -148.1 | 172 | 38.7 | 38.5 | -16.8 | 0 | 0 | 0 | 116 | ||||
| 19 | S | 29.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -157.8 | 120.3 | 154.8 | -69.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | G | 26.8 | Very low | 31.1 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -86 | 153.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | V | 27.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 92% | 0.915 | 82% | 0.82 | S | S | * | * | trans | -145.4 | 130.4 | 149 | -179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 22 | K | 30 | Very low | 31.3 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -133.7 | 168.7 | 162.3 | -123.4 | -164.6 | -179.5 | -180 | 0 | 104.9 | ||||
| 23 | P | 44.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | cis | -126.4 | 178 | -30.4 | 33.8 | -16.7 | 0 | 0 | 0 | 110.6 | ||||
| 24 | D | 25 | Very low | 30.8 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -135 | 135.2 | 154.4 | -104.4 | -28.3 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 28.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -102 | 148 | -170.9 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | R | 26.5 | Very low | 31.3 | Very low | 231 Ų | 231 | 135.4 Ų | 135.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | 179.6 | 106.7 | 141.9 | -99.3 | 164 | -173.9 | -165.4 | 2.7 | 107.8 | ||||
| 27 | E | 26.8 | Very low | 31 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | 65.7 | 108.4 | 91.6 | -86.5 | -173 | 165.6 | 0 | 0 | 113.8 | |||||
| 28 | L | 32.4 | Very low | 31 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | -162.3 | 97.1 | 141 | -104.2 | 145.1 | 0 | 0 | 0 | 109.4 | ||||
| 29 | E | 25.3 | Very low | 30.4 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 26 | 136.6 | 140.1 | -65.3 | 179.8 | 145.1 | 0 | 0 | 122.4 | ||||
| 30 | S | 30.7 | Very low | 30.4 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -67.4 | 169.5 | 158.8 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 31 | P | 42 | Very low | 30.8 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | -139.7 | 165 | 87.7 | 33.2 | -16.2 | 0 | 0 | 0 | 110.8 | |||||
| 32 | G | 26.9 | Very low | 30.7 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | 149.4 | 139.7 | 17 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 33 | G | 26 | Very low | 30.5 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 120.8 | 101.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 34 | T | 28.8 | Very low | 29.9 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -125.3 | 177.6 | 147.2 | -10.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 35 | P | 44.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | -127.9 | 176.8 | -29.9 | 25.7 | -4.5 | 0 | 0 | 0 | 111.2 | ||||
| 36 | L | 31.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -158.7 | 131.3 | 137.9 | -131.3 | 108.7 | 0 | 0 | 0 | 112.7 | ||||
| 37 | D | 27.2 | Very low | 30.3 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -50.6 | 148.1 | 172.6 | -84 | -50.6 | 0 | 0 | 0 | 114.5 | ||||
| 38 | T | 29.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -156.4 | 100.5 | 139.5 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 39 | V | 30 | Very low | 31.2 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | 56.6 | 110.6 | 131.1 | -174.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 40 | A | 28.6 | Very low | 31.2 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 163.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 41 | P | 35.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -128.8 | 155.2 | 124.3 | 35.2 | -26.4 | 0 | 0 | 0 | 113.9 | |||||
| 42 | S | 25.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 166.9 | -170.1 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 43 | S | 25.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 142.8 | 145.9 | 91 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 44 | S | 31.4 | Very low | 30.9 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -163.9 | 131.8 | 23.6 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | Q | 30 | Very low | 31.4 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | 41.3 | 149.3 | 128.8 | -61.9 | -174 | -5 | 0 | 0 | 125.3 | |||||
| 46 | S | 26.7 | Very low | 31.4 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 102.4 | 125.8 | 151.8 | -165.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 47 | S | 31.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | cis | -161.1 | 153.1 | 32 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 48 | K | 33.4 | Very low | 31.7 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -75.1 | -165.3 | -177.9 | -61.1 | 173.9 | 174.6 | 174.5 | 0 | 114.6 | ||||
| 49 | P | 43.8 | Very low | 32.1 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | -128.6 | 178.2 | -67.1 | 36.7 | -19.3 | 0 | 0 | 0 | 112.6 | |||||
| 50 | Y | 26.9 | Very low | 32.5 | Very low | 211 Ų | 211 | 121.6 Ų | 121.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | 168.9 | 123.2 | 128.2 | -94.1 | -71.7 | 0 | 0 | 0 | 112.8 | |||||
| 51 | C | 28.2 | Very low | 33.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 23.6 | 147.1 | 146.4 | -68.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 52 | A | 27.1 | Very low | 33.9 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | -175.2 | 144.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 53 | S | 33 | Very low | 35.1 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -177.9 | 114.7 | 134.9 | 24.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | T | 30.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -56.9 | 149.9 | 169.7 | -9.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 55 | P | 38.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | -126.2 | 143.2 | 112.7 | 33.9 | -26.6 | 0 | 0 | 0 | 111.6 | G57 | P55-G57 PolarHBondContact O-N 3.45Š| |||
| 56 | V | 44.3 | Very low | 38.6 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -58.8 | 123 | -178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 57 | G | 29.1 | Very low | 40.2 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | -167.2 | 94.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P55 S59 | P55-G57 PolarHBondContact O-N 3.45Å; G57-S59 PolarHBondContact O-N 3.39Å | ||
| 58 | C | 35.9 | Very low | 41.7 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 90% | 0.899 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 118.6 | -179.4 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 59 | S | 38.8 | Very low | 43.4 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -155.9 | 80.7 | 141.8 | -167.2 | 0 | 0 | 0 | 0 | 108.2 | G57 K61 | G57-S59 PolarHBondContact O-N 3.39Å; S59-K61 PolarHBondContact O-N 3.34Å; S59-K61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | A | 38.6 | Very low | 45.2 | Very low | 79 Ų | 79 | 119 Ų | 119 | 65% | 0.653 | 70% | 0.698 | S | S | * | * | trans | -59.6 | 113.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q62 | A60-Q62 HydrophobicContact CB-CG 4.12Å; A60-Q62 PolarHBondContact O-N 3.22Å | ||
| 61 | K | 47.7 | Very low | 47.9 | Very low | 199 Ų | 199 | 113.5 Ų | 113.5 | 87% | 0.865 | 69% | 0.689 | S | S | * | * | trans | -66.2 | 69.5 | 158.1 | -72.5 | -177.6 | 179.1 | 179.7 | 0 | 107.4 | S59 Q63 | S59-K61 PolarHBondContact O-N 3.34Å; S59-K61 VanDerWaalsContact O-N 3.13Å; K61-Q63 PolarHBondContact O-N 2.66Å | ||
| 62 | Q | 46.1 | Very low | 50.4 | Low | 137 Ų | 137 | 111.8 Ų | 111.8 | 64% | 0.64 | 68% | 0.677 | S | S | * | * | trans | -73.2 | 106.5 | 157.7 | -74.7 | 179.8 | -8.1 | 0 | 0 | 104.6 | A60 L64 | A60-Q62 HydrophobicContact CB-CG 4.12Å; A60-Q62 PolarHBondContact O-N 3.22Å; Q62-L64 HydrophobicContact CB-CG 3.98Å; Q62-L64 PolarHBondContact O-N 3.43Å | ||
| 63 | Q | 49.9 | Very low | 53.2 | Low | 195 Ų | 195 | 110.4 Ų | 110.4 | 91% | 0.911 | 66% | 0.66 | S | S | * | * | trans | -62.3 | 79.7 | 156 | -80.6 | 174.5 | -50.8 | 0 | 0 | 106.8 | K61 | K61-Q63 PolarHBondContact O-N 2.66Š| ||
| 64 | L | 51.6 | Low | 55.7 | Low | 92 Ų | 92 | 108.1 Ų | 108.1 | 48% | 0.482 | 64% | 0.638 | S | S | . | * | trans | -75.1 | 120.7 | 162.4 | -68.3 | 170.5 | 0 | 0 | 0 | 105.4 | Q62 L69 | Q62-L64 HydrophobicContact CB-CG 3.98Å; Q62-L64 PolarHBondContact O-N 3.43Å; L64-L69 HydrophobicContact CB-CD1 4.39Å; L64-L69 HydrophobicContact CD1-CD2 4.17Å | ||
| 65 | S | 51.7 | Low | 58.5 | Low | 55 Ų | 55 | 110.6 Ų | 110.6 | 39% | 0.385 | 63% | 0.633 | S | S | . | * | trans | -51.3 | 132 | 169.7 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | E67 T68 | S65-E67 PolarHBondContact O-N 3.44Å; S65-T68 PolarHBondContact O-N 3.16Å; S65-T68 PolarHBondContact O-OG1 3.09Å; S65-T68 VanDerWaalsContact O-OG1 3.06Å; S65-T68 PolarHBondContact OG-OG1 3.45Å | ||
| 66 | P | 57.9 | Low | 61 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -53.9 | -24.4 | 179.3 | -23 | 31 | 0 | 0 | 0 | 113 | T68 | P66-T68 VanDerWaalsContact C-N 3.28Å; P66-T68 PolarHBondContact O-N 3.19Å |
| 67 | E | 60.3 | Low | 63.2 | Low | 183 Ų | 183 | 107.2 Ų | 107.2 | 86% | 0.855 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -74 | -9.1 | -174.2 | -67.6 | 165.9 | 165.4 | 0 | 0 | 114.6 | S65 | S65-E67 PolarHBondContact O-N 3.44Š|
| 68 | T | 61.1 | Low | 66.1 | Low | 102 Ų | 102 | 112.3 Ų | 112.3 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -112.6 | 2 | -179.2 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | S65 P66 | S65-T68 PolarHBondContact O-N 3.16Å; S65-T68 PolarHBondContact O-OG1 3.09Å; S65-T68 VanDerWaalsContact O-OG1 3.06Å; S65-T68 PolarHBondContact OG-OG1 3.45Å; P66-T68 VanDerWaalsContact C-N 3.28Å; P66-T68 PolarHBondContact O-N 3.19Å |
| 69 | L | 70.7 | Confident | 68.8 | Low | 45 Ų | 45 | 110.5 Ų | 110.5 | 24% | 0.236 | 58% | 0.579 | C | S | . | * | S | Bend | trans | -91.9 | 136.7 | -176.5 | -75.4 | 159.9 | 0 | 0 | 0 | 111.5 | L64 T73 L74 | L64-L69 HydrophobicContact CB-CD1 4.39Å; L64-L69 HydrophobicContact CD1-CD2 4.17Å; L69-T73 HydrophobicContact CD2-CG2 4.22Å; L69-L74 HydrophobicContact CB-CD1 4.35Å; L69-L74 HydrophobicContact CB-CD2 3.96Å; L69-L74 HydrophobicContact CB-CG 3.89Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å |
| 70 | D | 80.7 | Confident | 71.3 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | trans | -57.8 | 136.1 | 174.6 | 175.1 | 63.5 | 0 | 0 | 0 | 110.8 | C72 T73 L74 | D70-C72 PolarHBondContact O-N 3.18Å; D70-C72 VanDerWaalsContact O-N 3.08Å; D70-C72 VanDerWaalsContact OD2-CB 3.27Å; D70-C72 WeakPolarHBondContact OD2-CB 3.38Å; D70-C72 PolarHBondContact OD2-N 3.49Å; D70-T73 WeakPolarHBondContact O-CA 3.4Å; D70-T73 WeakPolarHBondContact O-CB 3.45Å; D70-T73 PolarHBondContact O-N 3.4Å; D70-L74 PolarHBondContact O-N 3.42Å; D70-L74 VanDerWaalsContact O-N 3.15Å | ||
| 71 | P | 82.9 | Confident | 73.8 | Confident | 96 Ų | 96 | 115 Ų | 115 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.2 | -31.2 | -176.7 | -29.5 | 35.8 | 0 | 0 | 0 | 114.8 | L74 R75 | P71-L74 PolarHBondContact O-N 3.13Å; P71-R75 PolarHBondContact O-N 2.83Å; P71-R75 VanDerWaalsContact O-N 3.09Å |
| 72 | C | 81.7 | Confident | 76.1 | Confident | 83 Ų | 83 | 108.9 Ų | 108.9 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70 | -35.8 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | D70 R75 L76 | D70-C72 PolarHBondContact O-N 3.18Å; D70-C72 VanDerWaalsContact O-N 3.08Å; D70-C72 VanDerWaalsContact OD2-CB 3.27Å; D70-C72 WeakPolarHBondContact OD2-CB 3.38Å; D70-C72 PolarHBondContact OD2-N 3.49Å; C72-R75 PolarHBondContact O-N 2.86Å; C72-L76 WeakPolarHBondContact O-CG 3.48Å; C72-L76 PolarHBondContact O-N 2.86Å; C72-L76 VanDerWaalsContact O-N 3.09Å |
| 73 | T | 85.7 | Confident | 78.3 | Confident | 58 Ų | 58 | 107.8 Ų | 107.8 | 36% | 0.356 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | L69 D70 L76 L77 | L69-T73 HydrophobicContact CD2-CG2 4.22Å; D70-T73 WeakPolarHBondContact O-CA 3.4Å; D70-T73 WeakPolarHBondContact O-CB 3.45Å; D70-T73 PolarHBondContact O-N 3.4Å; T73-L76 PolarHBondContact O-N 2.96Å; T73-L77 HydrophobicContact CG2-CD1 4.24Å; T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.39Å |
| 74 | L | 86 | Confident | 80.5 | Confident | 70 Ų | 70 | 102.5 Ų | 102.5 | 37% | 0.366 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.5 | -72.6 | 174.3 | 0 | 0 | 0 | 112.2 | L69 D70 P71 L77 W78 | L69-L74 HydrophobicContact CB-CD1 4.35Å; L69-L74 HydrophobicContact CB-CD2 3.96Å; L69-L74 HydrophobicContact CB-CG 3.89Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å; D70-L74 PolarHBondContact O-N 3.42Å; D70-L74 VanDerWaalsContact O-N 3.15Å; P71-L74 PolarHBondContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-W78 VanDerWaalsContact O-CB 3.32Å; L74-W78 WeakPolarHBondContact O-CB 3.27Å; L74-W78 PolarHBondContact O-N 3.14Å |
| 75 | R | 89.4 | Confident | 82.4 | Confident | 176 Ų | 176 | 101.5 Ų | 101.5 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 175 | -178.5 | 178.3 | -81.4 | -171.1 | -5.9 | 111.5 | P71 C72 L77 W78 E79 | P71-R75 PolarHBondContact O-N 2.83Å; P71-R75 VanDerWaalsContact O-N 3.09Å; C72-R75 PolarHBondContact O-N 2.86Å; R75-L77 PolarHBondContact O-N 2.97Å; R75-W78 PolarHBondContact O-N 2.88Å; R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.17Å |
| 76 | L | 91 | Very high | 84.3 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 178.3 | -73.2 | 169.5 | 0 | 0 | 0 | 112.5 | C72 T73 W78 E79 Q80 | C72-L76 WeakPolarHBondContact O-CG 3.48Å; C72-L76 PolarHBondContact O-N 2.86Å; C72-L76 VanDerWaalsContact O-N 3.09Å; T73-L76 PolarHBondContact O-N 2.96Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.22Å; L76-E79 PolarHBondContact O-N 3.03Å; L76-Q80 WeakPolarHBondContact O-CB 3.24Å; L76-Q80 PolarHBondContact O-N 2.88Å |
| 77 | L | 90.6 | Very high | 85.7 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 176.3 | -72.6 | 172.4 | 0 | 0 | 0 | 112.1 | T73 L74 R75 R81 | T73-L77 HydrophobicContact CG2-CD1 4.24Å; T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.39Å; L74-L77 PolarHBondContact O-N 2.86Å; R75-L77 PolarHBondContact O-N 2.97Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.06Å; L77-R81 PolarHBondContact O-N 2.89Å |
| 78 | W | 89.6 | Confident | 87 | Confident | 177 Ų | 177 | 98 Ų | 98 | 67% | 0.67 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.4 | -45.6 | 175.6 | -172.5 | 77.2 | 0 | 0 | 0 | 111.6 | L74 R75 L76 Q80 R81 E82 | L74-W78 VanDerWaalsContact O-CB 3.32Å; L74-W78 WeakPolarHBondContact O-CB 3.27Å; L74-W78 PolarHBondContact O-N 3.14Å; R75-W78 PolarHBondContact O-N 2.88Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.22Å; W78-Q80 VanDerWaalsContact C-N 3.32Å; W78-Q80 PolarHBondContact O-N 2.75Å; W78-R81 PolarHBondContact O-N 3.02Å; W78-E82 PolarHBondContact O-N 3.47Å |
| 79 | E | 91.9 | Very high | 88.4 | Confident | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.5 | -74 | 175.8 | -176.2 | 0 | 0 | 111.7 | R75 L76 R81 E82 L83 | R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.17Å; L76-E79 PolarHBondContact O-N 3.03Å; E79-R81 PolarHBondContact O-N 3.35Å; E79-E82 PolarHBondContact O-N 3.16Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.31Å |
| 80 | Q | 92 | Very high | 89.2 | Confident | 125 Ų | 125 | 107.9 Ų | 107.9 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 175.2 | -176.5 | 179.4 | -4.1 | 0 | 0 | 111.9 | L76 W78 L83 E84 | L76-Q80 WeakPolarHBondContact O-CB 3.24Å; L76-Q80 PolarHBondContact O-N 2.88Å; W78-Q80 VanDerWaalsContact C-N 3.32Å; W78-Q80 PolarHBondContact O-N 2.75Å; Q80-L83 PolarHBondContact O-N 3.02Å; Q80-E84 PolarHBondContact O-N 2.82Å |
| 81 | R | 91.6 | Very high | 89.2 | Confident | 151 Ų | 151 | 105.7 Ų | 105.7 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -37.6 | 176.1 | -80.8 | -60.2 | -163.3 | 176.5 | 4.5 | 112.4 | L77 W78 E79 E84 I85 | L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.06Å; L77-R81 PolarHBondContact O-N 2.89Å; W78-R81 PolarHBondContact O-N 3.02Å; E79-R81 PolarHBondContact O-N 3.35Å; R81-E84 WeakPolarHBondContact CD-OE2 3.39Å; R81-E84 IonicContact CZ-OE2 2.71Å; R81-E84 IonicContact NE-OE2 3.69Å; R81-E84 IonicContact NH1-OE1 3.8Å; R81-E84 PolarHBondContact NH1-OE1 2.92Å; R81-E84 IonicContact NH1-OE2 3.74Å; R81-E84 PolarHBondContact NH1-OE2 3Å; R81-E84 PolarHBondContact O-N 3.02Å; R81-I85 WeakPolarHBondContact O-CB 3.05Å; R81-I85 WeakPolarHBondContact O-CD1 3.46Å; R81-I85 VanDerWaalsContact O-CG1 3.22Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 3.17Å |
| 82 | E | 94.9 | Very high | 89.3 | Confident | 70 Ų | 70 | 105 Ų | 105 | 33% | 0.327 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | -173.2 | 55.1 | -144.4 | 0 | 0 | 111.1 | W78 E79 E84 I85 Q86 | W78-E82 PolarHBondContact O-N 3.47Å; E79-E82 PolarHBondContact O-N 3.16Å; E82-E84 PolarHBondContact O-N 3.08Å; E82-I85 PolarHBondContact O-N 3.08Å; E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 VanDerWaalsContact O-CG 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.13Å |
| 83 | L | 93.6 | Very high | 89.4 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 175.1 | -70 | 175.8 | 0 | 0 | 0 | 112.9 | E79 Q80 Q86 A87 | E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.31Å; Q80-L83 PolarHBondContact O-N 3.02Å; L83-Q86 PolarHBondContact O-N 3.12Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 2.92Å |
| 84 | E | 95 | Very high | 89.2 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.4 | -172.7 | -176.6 | -178.1 | 0 | 0 | 111.1 | Q80 R81 E82 Q86 A87 L88 | Q80-E84 PolarHBondContact O-N 2.82Å; R81-E84 WeakPolarHBondContact CD-OE2 3.39Å; R81-E84 IonicContact CZ-OE2 2.71Å; R81-E84 IonicContact NE-OE2 3.69Å; R81-E84 IonicContact NH1-OE1 3.8Å; R81-E84 PolarHBondContact NH1-OE1 2.92Å; R81-E84 IonicContact NH1-OE2 3.74Å; R81-E84 PolarHBondContact NH1-OE2 3Å; R81-E84 PolarHBondContact O-N 3.02Å; E82-E84 PolarHBondContact O-N 3.08Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 3.31Å; E84-A87 PolarHBondContact O-N 3.23Å; E84-L88 HydrophobicContact CG-CD1 4.32Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.81Å |
| 85 | I | 91.6 | Very high | 89 | Confident | 70 Ų | 70 | 107.4 Ų | 107.4 | 36% | 0.359 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.2 | -69.7 | 164.8 | 0 | 0 | 0 | 110.7 | R81 E82 L88 R89 | R81-I85 WeakPolarHBondContact O-CB 3.05Å; R81-I85 WeakPolarHBondContact O-CD1 3.46Å; R81-I85 VanDerWaalsContact O-CG1 3.22Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 3.17Å; E82-I85 PolarHBondContact O-N 3.08Å; I85-L88 PolarHBondContact O-N 3.04Å; I85-R89 VanDerWaalsContact O-CG 3.27Å; I85-R89 WeakPolarHBondContact O-CG 3.47Å; I85-R89 PolarHBondContact O-N 2.98Å |
| 86 | Q | 92.8 | Very high | 88.6 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.4 | -73.1 | 175.2 | 14 | 0 | 0 | 112 | E82 L83 E84 L88 R89 W90 | E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 VanDerWaalsContact O-CG 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.13Å; L83-Q86 PolarHBondContact O-N 3.12Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 3.31Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.91Å; Q86-R89 PolarHBondContact O-N 2.7Å; Q86-W90 WeakPolarHBondContact O-CB 3.36Å; Q86-W90 PolarHBondContact O-N 3.27Å |
| 87 | A | 87 | Confident | 88.1 | Confident | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L83 E84 W90 A91 | L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 2.92Å; E84-A87 PolarHBondContact O-N 3.23Å; A87-W90 PolarHBondContact O-N 3.27Å; A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 2.66Å |
| 88 | L | 87.8 | Confident | 87.5 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.3 | -71.4 | 171.9 | 0 | 0 | 0 | 111.9 | E84 I85 Q86 W90 A91 V92 | E84-L88 HydrophobicContact CG-CD1 4.32Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.81Å; I85-L88 PolarHBondContact O-N 3.04Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.91Å; L88-W90 VanDerWaalsContact C-N 3.34Å; L88-W90 PolarHBondContact O-N 3.03Å; L88-A91 PolarHBondContact O-N 3.04Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.88Å |
| 89 | R | 90.1 | Very high | 87.1 | Confident | 174 Ų | 174 | 100.7 Ų | 100.7 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 174.1 | -73.6 | 170.6 | -176.2 | -98.3 | 3.1 | 111.2 | I85 Q86 V92 Q93 | I85-R89 VanDerWaalsContact O-CG 3.27Å; I85-R89 WeakPolarHBondContact O-CG 3.47Å; I85-R89 PolarHBondContact O-N 2.98Å; Q86-R89 PolarHBondContact O-N 2.7Å; R89-V92 PolarHBondContact O-N 2.65Å; R89-Q93 WeakPolarHBondContact O-CB 3.46Å; R89-Q93 PolarHBondContact O-N 2.92Å |
| 90 | W | 87.2 | Confident | 86.5 | Confident | 181 Ų | 181 | 102.6 Ų | 102.6 | 69% | 0.686 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 177 | -174.3 | 87.3 | 0 | 0 | 0 | 111.7 | Q86 A87 L88 Q93 N94 | Q86-W90 WeakPolarHBondContact O-CB 3.36Å; Q86-W90 PolarHBondContact O-N 3.27Å; A87-W90 PolarHBondContact O-N 3.27Å; L88-W90 VanDerWaalsContact C-N 3.34Å; L88-W90 PolarHBondContact O-N 3.03Å; W90-Q93 PolarHBondContact O-N 2.87Å; W90-N94 VanDerWaalsContact CH2-ND2 3.26Å; W90-N94 WeakPolarHBondContact CH2-ND2 3.43Å; W90-N94 WeakPolarHBondContact CZ2-ND2 3.35Å; W90-N94 VanDerWaalsContact CZ3-ND2 3.34Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.45Å; W90-N94 PolarHBondContact NE1-ND2 3.36Å; W90-N94 WeakPolarHBondContact O-CB 3.18Å; W90-N94 PolarHBondContact O-N 2.81Å; W90-N94 PolarHBondContact O-ND2 2.96Å |
| 91 | A | 80.2 | Confident | 85.7 | Confident | 43 Ų | 43 | 104.3 Ų | 104.3 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A87 L88 Q93 N94 D95 | A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 2.66Å; L88-A91 PolarHBondContact O-N 3.04Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.34Å; A91-N94 PolarHBondContact O-N 3.48Å; A91-D95 WeakPolarHBondContact O-CB 3.44Å; A91-D95 PolarHBondContact O-N 2.91Å |
| 92 | V | 84.8 | Confident | 85 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L88 R89 D95 Q96 | L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.88Å; R89-V92 PolarHBondContact O-N 2.65Å; V92-D95 PolarHBondContact O-N 3.48Å; V92-Q96 WeakPolarHBondContact O-CB 3.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 3.25Å |
| 93 | Q | 84.8 | Confident | 84.3 | Confident | 118 Ų | 118 | 103.5 Ų | 103.5 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.3 | -38.7 | -179.8 | -169 | 161.5 | 16.1 | 0 | 0 | 112 | R89 W90 A91 Q96 N97 | R89-Q93 WeakPolarHBondContact O-CB 3.46Å; R89-Q93 PolarHBondContact O-N 2.92Å; W90-Q93 PolarHBondContact O-N 2.87Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.34Å; Q93-Q96 PolarHBondContact O-N 3.48Å; Q93-N97 WeakPolarHBondContact O-CB 3.1Å; Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 2.82Å |
| 94 | N | 81.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 101.8 Ų | 101.8 | 32% | 0.316 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 174.3 | -74.7 | -38.8 | 0 | 0 | 0 | 113 | W90 A91 N97 A98 | W90-N94 VanDerWaalsContact CH2-ND2 3.26Å; W90-N94 WeakPolarHBondContact CH2-ND2 3.43Å; W90-N94 WeakPolarHBondContact CZ2-ND2 3.35Å; W90-N94 VanDerWaalsContact CZ3-ND2 3.34Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.45Å; W90-N94 PolarHBondContact NE1-ND2 3.36Å; W90-N94 WeakPolarHBondContact O-CB 3.18Å; W90-N94 PolarHBondContact O-N 2.81Å; W90-N94 PolarHBondContact O-ND2 2.96Å; A91-N94 PolarHBondContact O-N 3.48Å; N94-N97 PolarHBondContact O-N 2.99Å; N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.42Å; N94-A98 PolarHBondContact O-N 2.83Å |
| 95 | D | 81 | Confident | 82.7 | Confident | 84 Ų | 84 | 101 Ų | 101 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.4 | -102.2 | 30.9 | 0 | 0 | 0 | 111.5 | A91 V92 A98 R99 | A91-D95 WeakPolarHBondContact O-CB 3.44Å; A91-D95 PolarHBondContact O-N 2.91Å; V92-D95 PolarHBondContact O-N 3.48Å; D95-A98 PolarHBondContact O-N 2.87Å; D95-R99 WeakPolarHBondContact O-CB 3.15Å; D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 3.4Å; D95-R99 IonicContact OD2-CZ 3.41Å; D95-R99 IonicContact OD2-NH2 3.19Å; D95-R99 PolarHBondContact OD2-NH2 2.82Å |
| 96 | Q | 81.2 | Confident | 82 | Confident | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.4 | -78.8 | 170.2 | -14.4 | 0 | 0 | 111.5 | V92 Q93 R99 Y100 | V92-Q96 WeakPolarHBondContact O-CB 3.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 3.25Å; Q93-Q96 PolarHBondContact O-N 3.48Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-Y100 VanDerWaalsContact O-CB 3.22Å; Q96-Y100 WeakPolarHBondContact O-CB 3.43Å; Q96-Y100 PolarHBondContact O-N 3.5Å |
| 97 | N | 80.4 | Confident | 81.2 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.5 | -71.7 | -19.1 | 0 | 0 | 0 | 111.3 | Q93 N94 R99 Y100 Y101 | Q93-N97 WeakPolarHBondContact O-CB 3.1Å; Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 2.82Å; N94-N97 PolarHBondContact O-N 2.99Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 3.1Å; N97-Y100 WeakPolarHBondContact O-CB 3.43Å; N97-Y100 PolarHBondContact O-N 3.39Å; N97-Y100 VanDerWaalsContact O-N 3.16Å; N97-Y101 WeakPolarHBondContact O-CD2 3.3Å; N97-Y101 PolarHBondContact O-N 3.07Å |
| 98 | A | 79.3 | Confident | 80.5 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N94 D95 Y101 H102 | N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.42Å; N94-A98 PolarHBondContact O-N 2.83Å; D95-A98 PolarHBondContact O-N 2.87Å; A98-Y101 PolarHBondContact O-N 3.44Å; A98-H102 WeakPolarHBondContact O-CB 3.41Å; A98-H102 PolarHBondContact O-N 3.45Å |
| 99 | R | 79.6 | Confident | 79.2 | Confident | 155 Ų | 155 | 103.4 Ų | 103.4 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 173 | -69.8 | 171.7 | -151.8 | -172.4 | 8 | 111.2 | D95 Q96 N97 Y101 H102 I103 | D95-R99 WeakPolarHBondContact O-CB 3.15Å; D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 3.4Å; D95-R99 IonicContact OD2-CZ 3.41Å; D95-R99 IonicContact OD2-NH2 3.19Å; D95-R99 PolarHBondContact OD2-NH2 2.82Å; Q96-R99 PolarHBondContact O-N 2.96Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 3.1Å; R99-Y101 PolarHBondContact O-N 3.18Å; R99-H102 PolarHBondContact O-N 2.95Å; R99-I103 WeakPolarHBondContact O-CB 3.37Å; R99-I103 WeakPolarHBondContact O-CD1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 2.86Å |
| 100 | Y | 79.4 | Confident | 77.9 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.5 | 179.2 | -105.9 | 0 | 0 | 0 | 111.9 | Q96 N97 I103 L104 | Q96-Y100 VanDerWaalsContact O-CB 3.22Å; Q96-Y100 WeakPolarHBondContact O-CB 3.43Å; Q96-Y100 PolarHBondContact O-N 3.5Å; N97-Y100 WeakPolarHBondContact O-CB 3.43Å; N97-Y100 PolarHBondContact O-N 3.39Å; N97-Y100 VanDerWaalsContact O-N 3.16Å; Y100-I103 PolarHBondContact O-N 3.02Å; Y100-L104 HydrophobicContact CD1-CD1 3.72Å; Y100-L104 HydrophobicContact CD1-CG 4.41Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 4.06Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.26Å; Y100-L104 HydrophobicContact CG-CD1 4.43Å; Y100-L104 WeakPolarHBondContact O-CB 3.43Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.09Å |
| 101 | Y | 74.8 | Confident | 76.6 | Confident | 161 Ų | 161 | 95.7 Ų | 95.7 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 173.5 | -82.1 | -71.5 | 0 | 0 | 0 | 112.3 | N97 A98 R99 L104 Q105 | N97-Y101 WeakPolarHBondContact O-CD2 3.3Å; N97-Y101 PolarHBondContact O-N 3.07Å; A98-Y101 PolarHBondContact O-N 3.44Å; R99-Y101 PolarHBondContact O-N 3.18Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-Q105 WeakPolarHBondContact O-CB 3.37Å; Y101-Q105 PolarHBondContact O-N 3.21Å |
| 102 | H | 77 | Confident | 75.8 | Confident | 112 Ų | 112 | 97.4 Ų | 97.4 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.3 | -170.2 | -73.8 | 0 | 0 | 0 | 111.8 | A98 R99 Q105 E106 | A98-H102 WeakPolarHBondContact O-CB 3.41Å; A98-H102 PolarHBondContact O-N 3.45Å; R99-H102 PolarHBondContact O-N 2.95Å; H102-Q105 PolarHBondContact O-N 3.06Å; H102-E106 IonicContact CE1-OE2 2.69Å; H102-E106 PolarHBondContact CE1-OE2 2.86Å; H102-E106 IonicContact ND1-OE2 3.44Å; H102-E106 PolarHBondContact ND1-OE2 2.8Å; H102-E106 VanDerWaalsContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CB 3.47Å; H102-E106 PolarHBondContact O-N 2.81Å |
| 103 | I | 80.8 | Confident | 74.7 | Confident | 93 Ų | 93 | 102.7 Ų | 102.7 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.8 | -68.6 | 162.6 | 0 | 0 | 0 | 110.1 | R99 Y100 Q105 E106 V107 | R99-I103 WeakPolarHBondContact O-CB 3.37Å; R99-I103 WeakPolarHBondContact O-CD1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 2.86Å; Y100-I103 PolarHBondContact O-N 3.02Å; I103-Q105 VanDerWaalsContact C-N 3.27Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-E106 PolarHBondContact O-N 3.16Å; I103-V107 HydrophobicContact CG2-CG2 4.01Å; I103-V107 VanDerWaalsContact O-CB 3.26Å; I103-V107 WeakPolarHBondContact O-CB 3.44Å; I103-V107 WeakPolarHBondContact O-CG2 3.4Å; I103-V107 PolarHBondContact O-N 2.88Å |
| 104 | L | 78.9 | Confident | 73.5 | Confident | 77 Ų | 77 | 106 Ų | 106 | 40% | 0.403 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 175.8 | -81.5 | 174.4 | 0 | 0 | 0 | 111.9 | Y100 Y101 A108 | Y100-L104 HydrophobicContact CD1-CD1 3.72Å; Y100-L104 HydrophobicContact CD1-CG 4.41Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 4.06Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.26Å; Y100-L104 HydrophobicContact CG-CD1 4.43Å; Y100-L104 WeakPolarHBondContact O-CB 3.43Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.09Å; Y101-L104 PolarHBondContact O-N 2.97Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.98Å |
| 105 | Q | 75.8 | Confident | 72.8 | Confident | 70 Ų | 70 | 108.4 Ų | 108.4 | 33% | 0.327 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | 178.8 | -173 | -171.7 | -31.8 | 0 | 0 | 112.1 | Y101 H102 I103 G109 I110 P112 | Y101-Q105 WeakPolarHBondContact O-CB 3.37Å; Y101-Q105 PolarHBondContact O-N 3.21Å; H102-Q105 PolarHBondContact O-N 3.06Å; I103-Q105 VanDerWaalsContact C-N 3.27Å; I103-Q105 PolarHBondContact O-N 3.29Å; Q105-G109 PolarHBondContact O-N 3.33Å; Q105-G109 VanDerWaalsContact O-N 3.17Å; Q105-I110 WeakPolarHBondContact CG-O 3.15Å; Q105-I110 PolarHBondContact O-N 3.36Å; Q105-I110 VanDerWaalsContact O-N 3.12Å; Q105-P112 VanDerWaalsContact NE2-CD 3.27Å |
| 106 | E | 77.7 | Confident | 72.1 | Confident | 137 Ų | 137 | 108.4 Ų | 108.4 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.7 | -40.3 | 177 | -166 | 167 | -171.5 | 0 | 0 | 111.9 | H102 I103 G109 | H102-E106 IonicContact CE1-OE2 2.69Å; H102-E106 PolarHBondContact CE1-OE2 2.86Å; H102-E106 IonicContact ND1-OE2 3.44Å; H102-E106 PolarHBondContact ND1-OE2 2.8Å; H102-E106 VanDerWaalsContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CB 3.47Å; H102-E106 PolarHBondContact O-N 2.81Å; I103-E106 PolarHBondContact O-N 3.16Å; E106-G109 PolarHBondContact O-N 3.49Å |
| 107 | V | 75.2 | Confident | 71.7 | Confident | 119 Ų | 119 | 110.6 Ų | 110.6 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.9 | -38.5 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | I103 G109 | I103-V107 HydrophobicContact CG2-CG2 4.01Å; I103-V107 VanDerWaalsContact O-CB 3.26Å; I103-V107 WeakPolarHBondContact O-CB 3.44Å; I103-V107 WeakPolarHBondContact O-CG2 3.4Å; I103-V107 PolarHBondContact O-N 2.88Å; V107-G109 PolarHBondContact O-N 3.35Å |
| 108 | A | 72 | Confident | 71.5 | Confident | 62 Ų | 62 | 109 Ų | 109 | 51% | 0.512 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75 | -8.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L104 I110 | L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.98Å; A108-I110 HydrophobicContact CB-CD1 3.86Å; A108-I110 HydrophobicContact CB-CG1 3.85Å; A108-I110 PolarHBondContact O-N 2.95Å; A108-I110 VanDerWaalsContact O-N 3.16Å |
| 109 | G | 61.4 | Low | 71.7 | Confident | 61 Ų | 61 | 111.7 Ų | 111.7 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 18.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q105 E106 V107 P111 | Q105-G109 PolarHBondContact O-N 3.33Å; Q105-G109 VanDerWaalsContact O-N 3.17Å; E106-G109 PolarHBondContact O-N 3.49Å; V107-G109 PolarHBondContact O-N 3.35Å; G109-P111 WeakPolarHBondContact O-CD 3.47Å |
| 110 | I | 62.2 | Low | 72.2 | Confident | 105 Ų | 105 | 108.4 Ų | 108.4 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | trans | -84.6 | 115.4 | -178.3 | -59.1 | 174.3 | 0 | 0 | 0 | 106.9 | Q105 A108 | Q105-I110 WeakPolarHBondContact CG-O 3.15Å; Q105-I110 PolarHBondContact O-N 3.36Å; Q105-I110 VanDerWaalsContact O-N 3.12Å; A108-I110 HydrophobicContact CB-CD1 3.86Å; A108-I110 HydrophobicContact CB-CG1 3.85Å; A108-I110 PolarHBondContact O-N 2.95Å; A108-I110 VanDerWaalsContact O-N 3.16Å | ||
| 111 | P | 61.1 | Low | 72.7 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | trans | -59.3 | 147.7 | 175.9 | 24.5 | -31.9 | 0 | 0 | 0 | 109.7 | G109 E113 | G109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-E113 PolarHBondContact O-N 3.33Å; P111-E113 VanDerWaalsContact O-N 3.14Å | ||
| 112 | P | 63.7 | Low | 73.6 | Confident | 80 Ų | 80 | 105.1 Ų | 105.1 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | trans | -51.6 | 127.3 | 177.6 | 17.9 | -27.8 | 0 | 0 | 0 | 108.4 | Q105 R114 | Q105-P112 VanDerWaalsContact NE2-CD 3.27Å; P112-R114 VanDerWaalsContact C-N 3.27Å; P112-R114 WeakPolarHBondContact O-CG 3.31Å; P112-R114 PolarHBondContact O-N 3.18Å | ||
| 113 | E | 60.3 | Low | 74.4 | Confident | 193 Ų | 193 | 103.8 Ų | 103.8 | 90% | 0.902 | 55% | 0.552 | S | S | * | * | trans | -46.9 | 93.4 | -175.1 | -78.1 | -167 | 159.9 | 0 | 0 | 109.8 | P111 N115 | P111-E113 PolarHBondContact O-N 3.33Å; P111-E113 VanDerWaalsContact O-N 3.14Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.9Å | ||
| 114 | R | 59.7 | Low | 75.1 | Confident | 188 Ų | 188 | 104.9 Ų | 104.9 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | trans | -73.9 | 102.1 | 169.3 | -67.5 | -175.2 | -175 | 160.3 | 2 | 103.2 | P112 S116 | P112-R114 VanDerWaalsContact C-N 3.27Å; P112-R114 WeakPolarHBondContact O-CG 3.31Å; P112-R114 PolarHBondContact O-N 3.18Å; R114-S116 PolarHBondContact O-N 3.32Å | ||
| 115 | N | 66.6 | Low | 75.9 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | trans | -4.1 | 105.2 | 174.7 | 56.9 | 0.6 | 0 | 0 | 0 | 113.5 | E113 K117 S118 | E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.9Å; N115-K117 PolarHBondContact O-N 2.88Å; N115-S118 PolarHBondContact O-N 2.89Å; N115-S118 PolarHBondContact O-OG 2.93Å; N115-S118 VanDerWaalsContact O-OG 3.09Å; N115-S118 WeakPolarHBondContact OD1-CB 3.41Å; N115-S118 PolarHBondContact OD1-OG 2.77Å | ||
| 116 | S | 67.4 | Low | 77 | Confident | 84 Ų | 84 | 107.8 Ų | 107.8 | 59% | 0.587 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -38.6 | -38.2 | -176.6 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | R114 S118 Q119 D120 | R114-S116 PolarHBondContact O-N 3.32Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.41Å; S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 VanDerWaalsContact O-N 3.17Å; S116-D120 PolarHBondContact O-N 3.14Å |
| 117 | K | 71.8 | Confident | 77.9 | Confident | 161 Ų | 161 | 105.6 Ų | 105.6 | 70% | 0.7 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -55.7 | -26.5 | 174.5 | -61.9 | -177.9 | -179.6 | 178.2 | 0 | 115.8 | N115 K121 | N115-K117 PolarHBondContact O-N 2.88Å; K117-K121 WeakPolarHBondContact O-CD 3.41Å; K117-K121 VanDerWaalsContact O-CG 3.28Å; K117-K121 WeakPolarHBondContact O-CG 3.2Å |
| 118 | S | 78 | Confident | 79 | Confident | 38 Ų | 38 | 105.6 Ų | 105.6 | 27% | 0.266 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -85.3 | -36.8 | 176.6 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | N115 S116 K121 I122 | N115-S118 PolarHBondContact O-N 2.89Å; N115-S118 PolarHBondContact O-OG 2.93Å; N115-S118 VanDerWaalsContact O-OG 3.09Å; N115-S118 WeakPolarHBondContact OD1-CB 3.41Å; N115-S118 PolarHBondContact OD1-OG 2.77Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.41Å; S118-K121 PolarHBondContact O-N 2.97Å; S118-I122 WeakPolarHBondContact O-CG1 3.26Å; S118-I122 PolarHBondContact O-N 2.93Å; S118-I122 VanDerWaalsContact O-N 3.09Å |
| 119 | Q | 83.4 | Confident | 80.2 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | 176.5 | -172.6 | 169.2 | -9.2 | 0 | 0 | 111 | S116 K121 I122 L123 | S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 VanDerWaalsContact O-N 3.17Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.46Å; Q119-I122 PolarHBondContact O-N 2.85Å; Q119-L123 HydrophobicContact CG-CD1 4.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.07Å |
| 120 | D | 89 | Confident | 82 | Confident | 87 Ų | 87 | 111.9 Ų | 111.9 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60 | -40.4 | 175.7 | -68.7 | -20.8 | 0 | 0 | 0 | 112.2 | S116 L123 Q124 | S116-D120 PolarHBondContact O-N 3.14Å; D120-L123 PolarHBondContact O-N 2.83Å; D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 VanDerWaalsContact O-CG 3.22Å; D120-Q124 WeakPolarHBondContact O-CG 3.49Å; D120-Q124 PolarHBondContact O-N 3.32Å |
| 121 | K | 90.8 | Very high | 83.7 | Confident | 132 Ų | 132 | 110 Ų | 110 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 176.9 | -72.8 | 176 | -177.5 | -173.1 | 0 | 112.3 | K117 S118 Q119 N125 | K117-K121 WeakPolarHBondContact O-CD 3.41Å; K117-K121 VanDerWaalsContact O-CG 3.28Å; K117-K121 WeakPolarHBondContact O-CG 3.2Å; S118-K121 PolarHBondContact O-N 2.97Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.46Å; K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.93Å; K121-N125 PolarHBondContact O-ND2 2.83Å |
| 122 | I | 92.8 | Very high | 85.5 | Confident | 95 Ų | 95 | 111.3 Ų | 111.3 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -45.4 | 176.8 | -67.9 | 164.8 | 0 | 0 | 0 | 110 | S118 Q119 N125 Q126 | S118-I122 WeakPolarHBondContact O-CG1 3.26Å; S118-I122 PolarHBondContact O-N 2.93Å; S118-I122 VanDerWaalsContact O-N 3.09Å; Q119-I122 PolarHBondContact O-N 2.85Å; I122-N125 PolarHBondContact O-N 3.18Å; I122-Q126 WeakPolarHBondContact O-CG 3.07Å; I122-Q126 PolarHBondContact O-N 2.68Å |
| 123 | L | 94.4 | Very high | 87.1 | Confident | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.435 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -43.4 | 177.6 | -69.3 | 172.5 | 0 | 0 | 0 | 111.6 | Q119 D120 N125 Q126 V127 | Q119-L123 HydrophobicContact CG-CD1 4.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.07Å; D120-L123 PolarHBondContact O-N 2.83Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 3.07Å; L123-Q126 VanDerWaalsContact O-N 3.15Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.93Å |
| 124 | Q | 95.1 | Very high | 88.9 | Confident | 117 Ų | 117 | 108.5 Ų | 108.5 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 174.5 | -77.7 | 174.3 | 0.7 | 0 | 0 | 111.7 | D120 Q126 V127 Q128 | D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 VanDerWaalsContact O-CG 3.22Å; D120-Q124 WeakPolarHBondContact O-CG 3.49Å; D120-Q124 PolarHBondContact O-N 3.32Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.05Å; Q124-V127 PolarHBondContact O-N 3.29Å; Q124-Q128 WeakPolarHBondContact O-CB 3.37Å; Q124-Q128 VanDerWaalsContact O-CG 3.28Å; Q124-Q128 WeakPolarHBondContact O-CG 3.16Å; Q124-Q128 PolarHBondContact O-N 3.26Å |
| 125 | N | 96.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.3 | -72.1 | -26.2 | 0 | 0 | 0 | 112.1 | K121 I122 L123 K129 | K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.93Å; K121-N125 PolarHBondContact O-ND2 2.83Å; I122-N125 PolarHBondContact O-N 3.18Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.09Å; N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 PolarHBondContact O-N 3.36Å |
| 126 | Q | 97.3 | Very high | 92.3 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.3 | -74.8 | 178.4 | -9.6 | 0 | 0 | 112.1 | I122 L123 Q124 K129 L130 | I122-Q126 WeakPolarHBondContact O-CG 3.07Å; I122-Q126 PolarHBondContact O-N 2.68Å; L123-Q126 PolarHBondContact O-N 3.07Å; L123-Q126 VanDerWaalsContact O-N 3.15Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.05Å; Q126-K129 PolarHBondContact O-N 3.42Å; Q126-L130 WeakPolarHBondContact O-CG 3.46Å; Q126-L130 PolarHBondContact O-N 2.9Å |
| 127 | V | 97.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 104.7 Ų | 104.7 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L123 Q124 K129 L130 T131 | L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.93Å; Q124-V127 PolarHBondContact O-N 3.29Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.3Å; V127-L130 PolarHBondContact O-N 3.33Å; V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.45Å; V127-T131 PolarHBondContact O-N 2.71Å; V127-T131 PolarHBondContact O-OG1 2.8Å |
| 128 | Q | 97.9 | Very high | 95 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 175.9 | -74.8 | 177.4 | -3.7 | 0 | 0 | 111.6 | Q124 T131 L132 | Q124-Q128 WeakPolarHBondContact O-CB 3.37Å; Q124-Q128 VanDerWaalsContact O-CG 3.28Å; Q124-Q128 WeakPolarHBondContact O-CG 3.16Å; Q124-Q128 PolarHBondContact O-N 3.26Å; Q128-T131 WeakPolarHBondContact O-CB 3.26Å; Q128-T131 PolarHBondContact O-N 2.58Å; Q128-L132 WeakPolarHBondContact O-CG 3.39Å; Q128-L132 PolarHBondContact O-N 3.43Å |
| 129 | K | 98.1 | Very high | 96 | Very high | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.6 | -50.8 | 176.2 | -176.3 | -175.9 | 176 | -172.3 | 0 | 111.6 | N125 Q126 V127 T131 L132 E133 | N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 PolarHBondContact O-N 3.36Å; Q126-K129 PolarHBondContact O-N 3.42Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.3Å; K129-T131 VanDerWaalsContact C-N 3.27Å; K129-T131 PolarHBondContact O-N 3.22Å; K129-L132 PolarHBondContact O-N 3.25Å; K129-E133 PolarHBondContact O-N 2.75Å |
| 130 | L | 98.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 108.3 Ų | 108.3 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -35.3 | 178.6 | -70 | 175.3 | 0 | 0 | 0 | 111.9 | Q126 V127 L132 E133 L134 | Q126-L130 WeakPolarHBondContact O-CG 3.46Å; Q126-L130 PolarHBondContact O-N 2.9Å; V127-L130 PolarHBondContact O-N 3.33Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L130-E133 PolarHBondContact O-N 3.3Å; L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 PolarHBondContact O-N 2.89Å |
| 131 | T | 97.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 106.9 Ų | 106.9 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | V127 Q128 K129 K135 | V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.45Å; V127-T131 PolarHBondContact O-N 2.71Å; V127-T131 PolarHBondContact O-OG1 2.8Å; Q128-T131 WeakPolarHBondContact O-CB 3.26Å; Q128-T131 PolarHBondContact O-N 2.58Å; K129-T131 VanDerWaalsContact C-N 3.27Å; K129-T131 PolarHBondContact O-N 3.22Å; T131-K135 WeakPolarHBondContact O-CG 3.25Å; T131-K135 PolarHBondContact O-N 3.37Å; T131-K135 VanDerWaalsContact O-N 3.09Å |
| 132 | L | 98.3 | Very high | 97.4 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -41.5 | 175.4 | -69.3 | 174.6 | 0 | 0 | 0 | 111.7 | Q128 K129 L130 K135 A136 | Q128-L132 WeakPolarHBondContact O-CG 3.39Å; Q128-L132 PolarHBondContact O-N 3.43Å; K129-L132 PolarHBondContact O-N 3.25Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L132-K135 PolarHBondContact O-N 2.86Å; L132-A136 PolarHBondContact O-N 3.11Å |
| 133 | E | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.3 | -172.3 | 167.2 | -173.1 | 0 | 0 | 111.9 | K129 L130 K135 A136 Q137 | K129-E133 PolarHBondContact O-N 2.75Å; L130-E133 PolarHBondContact O-N 3.3Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.33Å; E133-A136 PolarHBondContact O-N 2.81Å; E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.8Å |
| 134 | L | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 175.4 | -173.7 | 144.5 | 0 | 0 | 0 | 112 | L130 Q137 K138 | L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 PolarHBondContact O-N 2.89Å; L134-Q137 PolarHBondContact O-N 2.81Å; L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 3.28Å |
| 135 | K | 98.3 | Very high | 98 | Very high | 119 Ų | 119 | 105.6 Ų | 105.6 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 173.6 | -76.9 | 178.3 | 179.5 | -175.4 | 0 | 111.8 | T131 L132 E133 Q137 K138 E139 | T131-K135 WeakPolarHBondContact O-CG 3.25Å; T131-K135 PolarHBondContact O-N 3.37Å; T131-K135 VanDerWaalsContact O-N 3.09Å; L132-K135 PolarHBondContact O-N 2.86Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.33Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.43Å; K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 3.43Å; K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 3.35Å |
| 136 | A | 98.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L132 E133 K138 E139 Q140 | L132-A136 PolarHBondContact O-N 3.11Å; E133-A136 PolarHBondContact O-N 2.81Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-E139 PolarHBondContact O-N 3Å; A136-Q140 WeakPolarHBondContact O-CB 3.17Å; A136-Q140 PolarHBondContact O-N 3.31Å |
| 137 | Q | 98 | Very high | 98.2 | Very high | 126 Ų | 126 | 102.2 Ų | 102.2 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 174.7 | -73.9 | -178.2 | 1.8 | 0 | 0 | 112.3 | E133 L134 K135 Q140 A141 | E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.8Å; L134-Q137 PolarHBondContact O-N 2.81Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.43Å; Q137-Q140 PolarHBondContact O-N 2.87Å; Q137-A141 WeakPolarHBondContact O-CB 3.29Å; Q137-A141 PolarHBondContact O-N 3.4Å |
| 138 | K | 98.4 | Very high | 98.2 | Very high | 155 Ų | 155 | 103.3 Ų | 103.3 | 67% | 0.674 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 175.8 | -174.5 | -178.7 | 177.3 | -177.2 | 0 | 111.7 | L134 K135 A136 A141 Q142 | L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 3.28Å; K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 3.43Å; A136-K138 VanDerWaalsContact C-N 3.35Å; K138-A141 PolarHBondContact O-N 2.88Å; K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 2.9Å |
| 139 | E | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 102.1 Ų | 102.1 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 175.9 | -73.1 | 174.8 | -174.5 | 0 | 0 | 111.5 | K135 A136 Q142 L143 | K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 3.35Å; A136-E139 PolarHBondContact O-N 3Å; E139-Q142 WeakPolarHBondContact O-CB 3.14Å; E139-Q142 PolarHBondContact O-N 2.88Å; E139-L143 WeakPolarHBondContact O-CG 3.27Å; E139-L143 PolarHBondContact O-N 3.43Å |
| 140 | Q | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.4 | -179.6 | 60.6 | 27.6 | 0 | 0 | 112 | A136 Q137 Q142 L143 E144 | A136-Q140 WeakPolarHBondContact O-CB 3.17Å; A136-Q140 PolarHBondContact O-N 3.31Å; Q137-Q140 PolarHBondContact O-N 2.87Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 2.84Å; Q140-L143 PolarHBondContact O-N 3.34Å; Q140-E144 PolarHBondContact NE2-OE1 3.18Å; Q140-E144 WeakPolarHBondContact O-CG 3.18Å; Q140-E144 PolarHBondContact O-N 2.86Å |
| 141 | A | 97.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q137 K138 E144 K145 | Q137-A141 WeakPolarHBondContact O-CB 3.29Å; Q137-A141 PolarHBondContact O-N 3.4Å; K138-A141 PolarHBondContact O-N 2.88Å; A141-E144 PolarHBondContact O-N 3.42Å; A141-K145 WeakPolarHBondContact O-CB 3.44Å; A141-K145 PolarHBondContact O-N 2.98Å |
| 142 | Q | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 176.1 | -176.7 | 63 | 26.5 | 0 | 0 | 111.7 | K138 E139 Q140 E144 K145 E146 | K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 2.9Å; E139-Q142 WeakPolarHBondContact O-CB 3.14Å; E139-Q142 PolarHBondContact O-N 2.88Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 2.84Å; Q142-E144 PolarHBondContact O-N 2.91Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 2.74Å; Q142-E146 PolarHBondContact NE2-OE1 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.37Å |
| 143 | L | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 175.8 | -69.2 | 173.3 | 0 | 0 | 0 | 112.3 | E139 Q140 E146 S147 | E139-L143 WeakPolarHBondContact O-CG 3.27Å; E139-L143 PolarHBondContact O-N 3.43Å; Q140-L143 PolarHBondContact O-N 3.34Å; L143-E146 PolarHBondContact O-N 2.77Å; L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.82Å |
| 144 | E | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.6 | -74.8 | 175.3 | -166.2 | 0 | 0 | 111.8 | Q140 A141 Q142 S147 L148 | Q140-E144 PolarHBondContact NE2-OE1 3.18Å; Q140-E144 WeakPolarHBondContact O-CG 3.18Å; Q140-E144 PolarHBondContact O-N 2.86Å; A141-E144 PolarHBondContact O-N 3.42Å; Q142-E144 PolarHBondContact O-N 2.91Å; E144-S147 PolarHBondContact O-N 3.47Å; E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 2.94Å |
| 145 | K | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 173.9 | 178.8 | -173.2 | 165.7 | -175.4 | 0 | 111 | A141 Q142 S147 L148 E149 | A141-K145 WeakPolarHBondContact O-CB 3.44Å; A141-K145 PolarHBondContact O-N 2.98Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 2.74Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 2.78Å; K145-L148 PolarHBondContact O-N 2.79Å; K145-L148 VanDerWaalsContact O-N 3.13Å; K145-E149 WeakPolarHBondContact CE-OE1 3.34Å; K145-E149 HydrophobicContact CG-CG 4.48Å; K145-E149 IonicContact NZ-OE1 3.56Å; K145-E149 WeakPolarHBondContact O-CG 3.27Å; K145-E149 PolarHBondContact O-N 2.84Å |
| 146 | E | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 179.5 | -72.6 | 167.7 | -164.2 | 0 | 0 | 111.6 | Q142 L143 L148 E149 E150 | Q142-E146 PolarHBondContact NE2-OE1 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.37Å; L143-E146 PolarHBondContact O-N 2.77Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3Å; E146-E149 PolarHBondContact O-N 2.79Å; E146-E150 PolarHBondContact O-N 2.93Å |
| 147 | S | 98.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 102.7 Ų | 102.7 | 33% | 0.329 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | L143 E144 K145 K151 | L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.82Å; E144-S147 PolarHBondContact O-N 3.47Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 2.78Å; S147-K151 WeakPolarHBondContact O-CG 3.33Å; S147-K151 PolarHBondContact O-N 3.05Å; S147-K151 VanDerWaalsContact O-N 3.09Å |
| 148 | L | 98.4 | Very high | 98.4 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.7 | -37.2 | 176.8 | -71.8 | 174.9 | 0 | 0 | 0 | 111.9 | E144 K145 E146 K151 L152 | E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 2.94Å; K145-L148 PolarHBondContact O-N 2.79Å; K145-L148 VanDerWaalsContact O-N 3.13Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3Å; L148-K151 PolarHBondContact O-N 2.94Å; L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.36Å |
| 149 | E | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.9 | -75.1 | 178.1 | 169.7 | 0 | 0 | 111.1 | K145 E146 L152 Q153 | K145-E149 WeakPolarHBondContact CE-OE1 3.34Å; K145-E149 HydrophobicContact CG-CG 4.48Å; K145-E149 IonicContact NZ-OE1 3.56Å; K145-E149 WeakPolarHBondContact O-CG 3.27Å; K145-E149 PolarHBondContact O-N 2.84Å; E146-E149 PolarHBondContact O-N 2.79Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.39Å |
| 150 | E | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 96.1 Ų | 96.1 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 174.4 | -170.1 | -172.5 | 172.3 | 0 | 0 | 111.4 | E146 L152 Q153 Q154 | E146-E150 PolarHBondContact O-N 2.93Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.79Å; E150-Q153 PolarHBondContact O-N 3.03Å; E150-Q154 VanDerWaalsContact O-CG 3.32Å; E150-Q154 WeakPolarHBondContact O-CG 3.33Å; E150-Q154 PolarHBondContact O-N 3.11Å; E150-Q154 PolarHBondContact OE1-NE2 3.36Å |
| 151 | K | 98.4 | Very high | 98.4 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 175.6 | -77.2 | 172.5 | -178.9 | 163.4 | 0 | 112.4 | S147 L148 Q154 N155 | S147-K151 WeakPolarHBondContact O-CG 3.33Å; S147-K151 PolarHBondContact O-N 3.05Å; S147-K151 VanDerWaalsContact O-N 3.09Å; L148-K151 PolarHBondContact O-N 2.94Å; K151-Q154 PolarHBondContact O-N 2.87Å; K151-N155 WeakPolarHBondContact O-CB 3.27Å; K151-N155 PolarHBondContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.48Å |
| 152 | L | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 177.4 | -177.6 | 137.5 | 0 | 0 | 0 | 110.5 | L148 E149 E150 Q154 N155 L156 | L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.36Å; E149-L152 PolarHBondContact O-N 3.5Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.79Å; L152-Q154 PolarHBondContact O-N 2.94Å; L152-N155 PolarHBondContact O-N 3.03Å; L152-L156 HydrophobicContact CD2-CD1 3.67Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 WeakPolarHBondContact O-CG 2.96Å; L152-L156 PolarHBondContact O-N 3.16Å |
| 153 | Q | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 100.6 Ų | 100.6 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 174.1 | -72.7 | 178.5 | -7.1 | 0 | 0 | 112 | E149 E150 N155 L156 C157 | E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.39Å; E150-Q153 PolarHBondContact O-N 3.03Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 3.4Å; Q153-L156 PolarHBondContact O-N 3.25Å; Q153-C157 PolarHBondContact O-N 3.34Å; Q153-C157 PolarHBondContact O-SG 2.92Å; Q153-C157 VanDerWaalsContact O-SG 3.4Å |
| 154 | Q | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 98.2 Ų | 98.2 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 175.7 | -72.5 | 173.1 | 3.1 | 0 | 0 | 112 | E150 K151 L152 C157 A158 | E150-Q154 VanDerWaalsContact O-CG 3.32Å; E150-Q154 WeakPolarHBondContact O-CG 3.33Å; E150-Q154 PolarHBondContact O-N 3.11Å; E150-Q154 PolarHBondContact OE1-NE2 3.36Å; K151-Q154 PolarHBondContact O-N 2.87Å; L152-Q154 PolarHBondContact O-N 2.94Å; Q154-C157 PolarHBondContact O-N 2.71Å; Q154-A158 PolarHBondContact O-N 3.44Å |
| 155 | N | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 97.7 Ų | 97.7 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 177.4 | -76.2 | -51.5 | 0 | 0 | 0 | 112.4 | K151 L152 Q153 A158 I159 | K151-N155 WeakPolarHBondContact O-CB 3.27Å; K151-N155 PolarHBondContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.48Å; L152-N155 PolarHBondContact O-N 3.03Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 3.4Å; N155-A158 PolarHBondContact O-N 3.42Å; N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.37Å |
| 156 | L | 98.8 | Very high | 98.4 | Very high | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.8 | -73.3 | 174.6 | 0 | 0 | 0 | 111.4 | L152 Q153 A158 I159 Q160 | L152-L156 HydrophobicContact CD2-CD1 3.67Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 WeakPolarHBondContact O-CG 2.96Å; L152-L156 PolarHBondContact O-N 3.16Å; Q153-L156 PolarHBondContact O-N 3.25Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.75Å; L156-I159 PolarHBondContact O-N 3.41Å; L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.05Å |
| 157 | C | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.9 | -67 | 0 | 0 | 0 | 0 | 112 | Q153 Q154 I159 Q160 Q161 | Q153-C157 PolarHBondContact O-N 3.34Å; Q153-C157 PolarHBondContact O-SG 2.92Å; Q153-C157 VanDerWaalsContact O-SG 3.4Å; Q154-C157 PolarHBondContact O-N 2.71Å; C157-I159 PolarHBondContact O-N 2.89Å; C157-Q160 PolarHBondContact O-N 3.41Å; C157-Q161 PolarHBondContact O-N 3.25Å |
| 158 | A | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 99.5 Ų | 99.5 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q154 N155 L156 Q161 L162 | Q154-A158 PolarHBondContact O-N 3.44Å; N155-A158 PolarHBondContact O-N 3.42Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.75Å; A158-Q161 PolarHBondContact O-N 3.03Å; A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 2.98Å |
| 159 | I | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -45 | 176 | -70.2 | 166.4 | 0 | 0 | 0 | 110.5 | N155 L156 C157 Q161 L162 E163 | N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.37Å; L156-I159 PolarHBondContact O-N 3.41Å; C157-I159 PolarHBondContact O-N 2.89Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 3.01Å; I159-L162 PolarHBondContact O-N 3.02Å; I159-E163 WeakPolarHBondContact O-CB 3.48Å; I159-E163 PolarHBondContact O-N 2.76Å |
| 160 | Q | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 101.2 Ų | 101.2 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -39.3 | 176.8 | -73.3 | 175.9 | -0.2 | 0 | 0 | 112.1 | L156 C157 E163 A164 | L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.05Å; C157-Q160 PolarHBondContact O-N 3.41Å; Q160-E163 PolarHBondContact O-N 3.3Å; Q160-A164 PolarHBondContact O-N 3.03Å |
| 161 | Q | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -48.6 | 174.8 | -177 | -178 | -16 | 0 | 0 | 111.5 | C157 A158 I159 E163 A164 E165 | C157-Q161 PolarHBondContact O-N 3.25Å; A158-Q161 PolarHBondContact O-N 3.03Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 3.01Å; Q161-E163 VanDerWaalsContact C-N 3.27Å; Q161-E163 PolarHBondContact O-N 3.38Å; Q161-A164 PolarHBondContact O-N 2.92Å; Q161-E165 PolarHBondContact NE2-OE1 3.27Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 3.18Å |
| 162 | L | 98.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -35.6 | 178.2 | -71.1 | 173.2 | 0 | 0 | 0 | 112.2 | A158 I159 E165 L166 | A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 2.98Å; I159-L162 PolarHBondContact O-N 3.02Å; L162-E165 PolarHBondContact O-N 3.15Å; L162-L166 WeakPolarHBondContact O-CB 3.13Å; L162-L166 PolarHBondContact O-N 2.8Å |
| 163 | E | 98.2 | Very high | 97.5 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.3 | -172.8 | -179.5 | 172.5 | 0 | 0 | 111.3 | I159 Q160 Q161 E165 L166 Q167 | I159-E163 WeakPolarHBondContact O-CB 3.48Å; I159-E163 PolarHBondContact O-N 2.76Å; Q160-E163 PolarHBondContact O-N 3.3Å; Q161-E163 VanDerWaalsContact C-N 3.27Å; Q161-E163 PolarHBondContact O-N 3.38Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 2.82Å; E163-L166 PolarHBondContact O-N 2.86Å; E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 2.77Å; E163-Q167 PolarHBondContact OE1-NE2 3Å |
| 164 | A | 97.6 | Very high | 97.2 | Very high | 52 Ų | 52 | 95.9 Ų | 95.9 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q160 Q161 Q167 T168 | Q160-A164 PolarHBondContact O-N 3.03Å; Q161-A164 PolarHBondContact O-N 2.92Å; A164-Q167 PolarHBondContact O-N 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.11Å; A164-T168 VanDerWaalsContact O-CG2 3.28Å; A164-T168 WeakPolarHBondContact O-CG2 3.3Å; A164-T168 PolarHBondContact O-N 3.17Å; A164-T168 PolarHBondContact O-OG1 3.36Å |
| 165 | E | 98 | Very high | 96.8 | Very high | 95 Ų | 95 | 95.8 Ų | 95.8 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 174.3 | -73.5 | 177.8 | -163.3 | 0 | 0 | 111.8 | Q161 L162 E163 T168 F169 | Q161-E165 PolarHBondContact NE2-OE1 3.27Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 3.18Å; L162-E165 PolarHBondContact O-N 3.15Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 2.82Å; E165-T168 VanDerWaalsContact CA-OG1 3.31Å; E165-T168 WeakPolarHBondContact CA-OG1 3.45Å; E165-T168 PolarHBondContact O-N 3.02Å; E165-T168 PolarHBondContact O-OG1 3.28Å; E165-F169 VanDerWaalsContact O-CB 3.3Å; E165-F169 WeakPolarHBondContact O-CB 2.78Å; E165-F169 PolarHBondContact O-N 2.9Å |
| 166 | L | 98 | Very high | 96.4 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 176.1 | -167.4 | 160.5 | 0 | 0 | 0 | 111.1 | L162 E163 T168 F169 Q170 | L162-L166 WeakPolarHBondContact O-CB 3.13Å; L162-L166 PolarHBondContact O-N 2.8Å; E163-L166 PolarHBondContact O-N 2.86Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 2.81Å; L166-F169 PolarHBondContact O-N 3.25Å; L166-Q170 WeakPolarHBondContact O-CB 3.49Å; L166-Q170 PolarHBondContact O-N 3.12Å |
| 167 | Q | 97.6 | Very high | 95.8 | Very high | 87 Ų | 87 | 97.5 Ų | 97.5 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.3 | -72.1 | -178 | 11.4 | 0 | 0 | 111.8 | E163 A164 Q170 K171 | E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 2.77Å; E163-Q167 PolarHBondContact OE1-NE2 3Å; A164-Q167 PolarHBondContact O-N 3.31Å; Q167-Q170 PolarHBondContact O-N 2.89Å; Q167-K171 VanDerWaalsContact O-CG 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.46Å; Q167-K171 PolarHBondContact O-N 3.34Å |
| 168 | T | 97.3 | Very high | 94.9 | Very high | 84 Ų | 84 | 95.7 Ų | 95.7 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | A164 E165 L166 K171 S172 | A164-T168 WeakPolarHBondContact O-CB 3.11Å; A164-T168 VanDerWaalsContact O-CG2 3.28Å; A164-T168 WeakPolarHBondContact O-CG2 3.3Å; A164-T168 PolarHBondContact O-N 3.17Å; A164-T168 PolarHBondContact O-OG1 3.36Å; E165-T168 VanDerWaalsContact CA-OG1 3.31Å; E165-T168 WeakPolarHBondContact CA-OG1 3.45Å; E165-T168 PolarHBondContact O-N 3.02Å; E165-T168 PolarHBondContact O-OG1 3.28Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 2.81Å; T168-K171 PolarHBondContact O-N 2.91Å; T168-S172 PolarHBondContact O-N 3.5Å |
| 169 | F | 97.5 | Very high | 93.8 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 173.2 | -178.8 | -100.6 | 0 | 0 | 0 | 112.5 | E165 L166 S172 C173 | E165-F169 VanDerWaalsContact O-CB 3.3Å; E165-F169 WeakPolarHBondContact O-CB 2.78Å; E165-F169 PolarHBondContact O-N 2.9Å; L166-F169 PolarHBondContact O-N 3.25Å; F169-S172 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-OG 3.36Å; F169-C173 WeakPolarHBondContact CE1-SG 3.02Å; F169-C173 WeakPolarHBondContact CZ-SG 3.37Å; F169-C173 WeakPolarHBondContact O-CB 3.1Å; F169-C173 PolarHBondContact O-N 3.47Å; F169-C173 PolarHBondContact O-SG 3.4Å |
| 170 | Q | 96.8 | Very high | 92.7 | Very high | 107 Ų | 107 | 96.7 Ų | 96.7 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.6 | -176.8 | -179.3 | -4.1 | 0 | 0 | 110.9 | L166 Q167 S172 C173 L174 | L166-Q170 WeakPolarHBondContact O-CB 3.49Å; L166-Q170 PolarHBondContact O-N 3.12Å; Q167-Q170 PolarHBondContact O-N 2.89Å; Q170-S172 PolarHBondContact O-N 2.91Å; Q170-C173 PolarHBondContact O-N 2.87Å; Q170-L174 HydrophobicContact CG-CD1 4.41Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å |
| 171 | K | 95.3 | Very high | 91.6 | Very high | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 175.4 | -72.6 | 171.3 | -177.2 | 176 | 0 | 111.3 | Q167 T168 L174 L175 | Q167-K171 VanDerWaalsContact O-CG 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.46Å; Q167-K171 PolarHBondContact O-N 3.34Å; T168-K171 PolarHBondContact O-N 2.91Å; K171-L174 PolarHBondContact O-N 3.35Å; K171-L175 VanDerWaalsContact O-CG 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 3.17Å |
| 172 | S | 94.6 | Very high | 89.8 | Confident | 60 Ų | 60 | 93.4 Ų | 93.4 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 178.8 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | T168 F169 Q170 L175 Q176 | T168-S172 PolarHBondContact O-N 3.5Å; F169-S172 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-OG 3.36Å; Q170-S172 PolarHBondContact O-N 2.91Å; S172-L175 PolarHBondContact O-N 2.95Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 3.34Å |
| 173 | C | 91.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 32% | 0.324 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 173.7 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | F169 Q170 L175 Q176 L177 | F169-C173 WeakPolarHBondContact CE1-SG 3.02Å; F169-C173 WeakPolarHBondContact CZ-SG 3.37Å; F169-C173 WeakPolarHBondContact O-CB 3.1Å; F169-C173 PolarHBondContact O-N 3.47Å; F169-C173 PolarHBondContact O-SG 3.4Å; Q170-C173 PolarHBondContact O-N 2.87Å; C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact O-N 3.3Å; C173-Q176 PolarHBondContact O-N 3.01Å; C173-L177 WeakPolarHBondContact O-CG 3.13Å; C173-L177 PolarHBondContact O-N 3Å |
| 174 | L | 93.4 | Very high | 86.1 | Confident | 103 Ų | 103 | 88.6 Ų | 88.6 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.1 | -71.8 | 174.5 | 0 | 0 | 0 | 111.8 | Q170 K171 L177 A178 | Q170-L174 HydrophobicContact CG-CD1 4.41Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å; K171-L174 PolarHBondContact O-N 3.35Å; L174-L177 PolarHBondContact O-N 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.85Å |
| 175 | L | 90.6 | Very high | 84.6 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 174.5 | -71.8 | 172.8 | 0 | 0 | 0 | 111.9 | K171 S172 C173 A178 R179 | K171-L175 VanDerWaalsContact O-CG 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 3.17Å; S172-L175 PolarHBondContact O-N 2.95Å; C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact O-N 3.3Å; L175-A178 PolarHBondContact O-N 3.38Å; L175-R179 WeakPolarHBondContact O-CB 3.31Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.99Å |
| 176 | Q | 89.6 | Confident | 82.7 | Confident | 120 Ų | 120 | 93.8 Ų | 93.8 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -37.6 | 177.1 | -171.2 | 64.9 | 4.7 | 0 | 0 | 112.3 | S172 C173 S180 | S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 3.34Å; C173-Q176 PolarHBondContact O-N 3.01Å; Q176-S180 WeakPolarHBondContact O-CB 3.36Å; Q176-S180 PolarHBondContact O-N 3.1Å; Q176-S180 PolarHBondContact O-OG 3.48Å |
| 177 | L | 86.2 | Confident | 80.9 | Confident | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 173.2 | -72.8 | 173 | 0 | 0 | 0 | 111.8 | C173 L174 S180 S181 | C173-L177 WeakPolarHBondContact O-CG 3.13Å; C173-L177 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 3.28Å; L177-S180 WeakPolarHBondContact CA-OG 3.32Å; L177-S180 PolarHBondContact O-N 3.1Å; L177-S180 PolarHBondContact O-OG 3.48Å; L177-S180 VanDerWaalsContact O-OG 3.08Å; L177-S181 VanDerWaalsContact O-CB 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.9Å |
| 178 | A | 78.5 | Confident | 79.1 | Confident | 42 Ų | 42 | 97.7 Ų | 97.7 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -52.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | L174 L175 S180 S181 W182 | L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.85Å; L175-A178 PolarHBondContact O-N 3.38Å; A178-S180 PolarHBondContact O-N 3.27Å; A178-S181 PolarHBondContact O-N 2.92Å; A178-S181 VanDerWaalsContact O-N 3.12Å; A178-W182 PolarHBondContact O-N 2.93Å; A178-W182 VanDerWaalsContact O-N 3.08Å |
| 179 | R | 75.4 | Confident | 77.5 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.2 | -54.8 | 177.3 | -75.6 | 175.4 | 172.5 | 167.5 | -2.3 | 111.4 | L175 S181 W182 V183 L202 D204 | L175-R179 WeakPolarHBondContact O-CB 3.31Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.99Å; R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.26Å; R179-W182 PolarHBondContact O-N 3.23Å; R179-V183 WeakPolarHBondContact O-CG2 3.43Å; R179-V183 PolarHBondContact O-N 2.84Å; R179-V183 VanDerWaalsContact O-N 3.17Å; R179-L202 WeakPolarHBondContact O-CD1 3.35Å; R179-D204 IonicContact NH2-OD2 3.45Å; R179-D204 PolarHBondContact NH2-OD2 3.42Å |
| 180 | S | 75.8 | Confident | 75.6 | Confident | 70 Ų | 70 | 99.2 Ų | 99.2 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -28.6 | -179.9 | 56 | 0 | 0 | 0 | 0 | 114.4 | Q176 L177 A178 | Q176-S180 WeakPolarHBondContact O-CB 3.36Å; Q176-S180 PolarHBondContact O-N 3.1Å; Q176-S180 PolarHBondContact O-OG 3.48Å; L177-S180 WeakPolarHBondContact CA-OG 3.32Å; L177-S180 PolarHBondContact O-N 3.1Å; L177-S180 PolarHBondContact O-OG 3.48Å; L177-S180 VanDerWaalsContact O-OG 3.08Å; A178-S180 PolarHBondContact O-N 3.27Å |
| 181 | S | 74.4 | Confident | 74 | Confident | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.1 | -28.9 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 113.3 | L177 A178 R179 R185 | L177-S181 VanDerWaalsContact O-CB 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.9Å; A178-S181 PolarHBondContact O-N 2.92Å; A178-S181 VanDerWaalsContact O-N 3.12Å; R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.26Å; S181-R185 WeakPolarHBondContact O-CD 3.43Å; S181-R185 PolarHBondContact O-NE 3.23Å; S181-R185 PolarHBondContact OG-NH2 3.32Å |
| 182 | W | 62.3 | Low | 72.1 | Confident | 125 Ų | 125 | 96.7 Ų | 96.7 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -82 | -26.2 | 176.1 | -70 | 111.4 | 0 | 0 | 0 | 112.6 | A178 R179 G184 R185 L187 V197 L202 | A178-W182 PolarHBondContact O-N 2.93Å; A178-W182 VanDerWaalsContact O-N 3.08Å; R179-W182 PolarHBondContact O-N 3.23Å; W182-G184 PolarHBondContact O-N 3.37Å; W182-R185 PolarHBondContact O-N 3.42Å; W182-R185 VanDerWaalsContact O-N 3.13Å; W182-L187 HydrophobicContact CZ3-CD2 4.47Å; W182-V197 HydrophobicContact CB-CG1 4.4Å; W182-V197 WeakPolarHBondContact O-CB 3.5Å; W182-L202 HydrophobicContact CB-CD1 3.69Å |
| 183 | V | 61 | Low | 70 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 121.7 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | R179 A199 L202 | R179-V183 WeakPolarHBondContact O-CG2 3.43Å; R179-V183 PolarHBondContact O-N 2.84Å; R179-V183 VanDerWaalsContact O-N 3.17Å; V183-A199 HydrophobicContact CG1-CB 3.94Å; V183-A199 HydrophobicContact CG2-CB 3.81Å; V183-L202 HydrophobicContact CG2-CD1 4.01Å |
| 184 | G | 56.7 | Low | 68.2 | Low | 57 Ų | 57 | 97.1 Ų | 97.1 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 0.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | W182 V197 | W182-G184 PolarHBondContact O-N 3.37Å; G184-V197 PolarHBondContact N-O 3.4Å |
| 185 | R | 67.6 | Low | 66.6 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | trans | -79.7 | 137.9 | 169.9 | -64.4 | -166.3 | -169.4 | -148.5 | 4.2 | 110.4 | S181 W182 V197 | S181-R185 WeakPolarHBondContact O-CD 3.43Å; S181-R185 PolarHBondContact O-NE 3.23Å; S181-R185 PolarHBondContact OG-NH2 3.32Å; W182-R185 PolarHBondContact O-N 3.42Å; W182-R185 VanDerWaalsContact O-N 3.13Å; R185-V197 PolarHBondContact O-N 3.01Å | ||
| 186 | M | 57.4 | Low | 65.1 | Low | 119 Ų | 119 | 97 Ų | 97 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.2 | -179.5 | -170.3 | -178.8 | -71.6 | 0 | 0 | 108.5 | V194 V196 | M186-V194 HydrophobicContact CE-CG1 4.22Å; M186-V194 HydrophobicContact CG-CG1 3.23Å; M186-V194 HydrophobicContact SD-CG1 3.38Å; M186-V194 WeakPolarHBondContact SD-CG1 3.48Å; M186-V196 HydrophobicContact CE-CG2 4.04Å; M186-V196 HydrophobicContact CG-CG2 4.19Å |
| 187 | L | 60.7 | Low | 63.7 | Low | 88 Ų | 88 | 92.3 Ų | 92.3 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.9 | 173.8 | -67.5 | 174.2 | 0 | 0 | 0 | 107.9 | W182 E195 V197 | W182-L187 HydrophobicContact CZ3-CD2 4.47Å; L187-E195 PolarHBondContact N-O 3.09Å; L187-E195 PolarHBondContact O-N 2.87Å; L187-V197 HydrophobicContact CD1-CG2 3.82Å; L187-V197 HydrophobicContact CG-CG2 4.14Å |
| 188 | R | 59.1 | Low | 62.2 | Low | 192 Ų | 192 | 89.4 Ų | 89.4 | 73% | 0.725 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.3 | 176.2 | -167.8 | -179.3 | -92.6 | -125.8 | 2.8 | 107.9 | S193 V194 | R188-S193 WeakPolarHBondContact CA-O 3.49Å; R188-V194 HydrophobicContact CB-CG2 4.44Å; R188-V194 HydrophobicContact CG-CG2 3.94Å |
| 189 | S | 64.4 | Low | 61.1 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | trans | -71.5 | 156.4 | 177 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | T191 G192 S193 | S189-T191 PolarHBondContact O-N 3.32Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 2.86Å; S189-T191 PolarHBondContact OG-OG1 3.38Å; S189-G192 PolarHBondContact O-N 3.43Å; S189-G192 PolarHBondContact OG-N 3.13Å; S189-S193 WeakPolarHBondContact CB-OG 2.81Å; S189-S193 PolarHBondContact N-O 3.36Å; S189-S193 PolarHBondContact OG-N 3.4Å; S189-S193 PolarHBondContact OG-O 2.95Å; S189-S193 PolarHBondContact OG-OG 2.94Å | ||
| 190 | Q | 56.5 | Low | 60.2 | Low | 210 Ų | 210 | 92.8 Ų | 92.8 | 98% | 0.981 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.4 | 174.5 | -72 | -180 | -1.9 | 0 | 0 | 112.7 | ||
| 191 | T | 63.4 | Low | 59.4 | Low | 133 Ų | 133 | 94.5 Ų | 94.5 | 82% | 0.816 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2.2 | 175.3 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | S189 | S189-T191 PolarHBondContact O-N 3.32Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 2.86Å; S189-T191 PolarHBondContact OG-OG1 3.38Å |
| 192 | G | 55.1 | Low | 58.4 | Low | 52 Ų | 52 | 94.4 Ų | 94.4 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 89.2 | 4.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S189 | S189-G192 PolarHBondContact O-N 3.43Å; S189-G192 PolarHBondContact OG-N 3.13Å |
| 193 | S | 51.8 | Low | 57.8 | Low | 55 Ų | 55 | 96.8 Ų | 96.8 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | trans | -75.3 | 139.5 | 169.2 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | R188 S189 | R188-S193 WeakPolarHBondContact CA-O 3.49Å; S189-S193 WeakPolarHBondContact CB-OG 2.81Å; S189-S193 PolarHBondContact N-O 3.36Å; S189-S193 PolarHBondContact OG-N 3.4Å; S189-S193 PolarHBondContact OG-O 2.95Å; S189-S193 PolarHBondContact OG-OG 2.94Å | ||
| 194 | V | 52.4 | Low | 57.1 | Low | 61 Ų | 61 | 99.1 Ų | 99.1 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.2 | -179.7 | 168.2 | 0 | 0 | 0 | 0 | 107.6 | M186 R188 | M186-V194 HydrophobicContact CE-CG1 4.22Å; M186-V194 HydrophobicContact CG-CG1 3.23Å; M186-V194 HydrophobicContact SD-CG1 3.38Å; M186-V194 WeakPolarHBondContact SD-CG1 3.48Å; R188-V194 HydrophobicContact CB-CG2 4.44Å; R188-V194 HydrophobicContact CG-CG2 3.94Å |
| 195 | E | 60.1 | Low | 56.7 | Low | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.9 | 174 | -69.7 | 178.1 | -170.2 | 0 | 0 | 108.5 | L187 | L187-E195 PolarHBondContact N-O 3.09Å; L187-E195 PolarHBondContact O-N 2.87Å |
| 196 | V | 59.2 | Low | 55.7 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.8 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | M186 T198 | M186-V196 HydrophobicContact CE-CG2 4.04Å; M186-V196 HydrophobicContact CG-CG2 4.19Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-T198 PolarHBondContact O-N 2.98Å |
| 197 | V | 59.5 | Low | 54.8 | Low | 22 Ų | 22 | 101.7 Ų | 101.7 | 13% | 0.133 | 56% | 0.563 | C | S | . | * | trans | -73.7 | 96.7 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | W182 G184 R185 L187 L202 | W182-V197 HydrophobicContact CB-CG1 4.4Å; W182-V197 WeakPolarHBondContact O-CB 3.5Å; G184-V197 PolarHBondContact N-O 3.4Å; R185-V197 PolarHBondContact O-N 3.01Å; L187-V197 HydrophobicContact CD1-CG2 3.82Å; L187-V197 HydrophobicContact CG-CG2 4.14Å; V197-L202 HydrophobicContact CG1-CD1 3.69Å; V197-L202 HydrophobicContact CG1-CD2 4.41Å; V197-L202 HydrophobicContact CG1-CG 3.9Å | ||
| 198 | T | 55.5 | Low | 53.8 | Low | 50 Ų | 50 | 102 Ų | 102 | 31% | 0.307 | 57% | 0.572 | S | S | . | * | trans | -83.5 | 152 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | V196 E200 V201 | V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-T198 PolarHBondContact O-N 2.98Å; T198-E200 WeakPolarHBondContact CB-OE1 3.41Å; T198-E200 PolarHBondContact O-N 3.39Å; T198-E200 VanDerWaalsContact OG1-CG 3.27Å; T198-E200 WeakPolarHBondContact OG1-CG 3.4Å; T198-E200 PolarHBondContact OG1-OE1 2.97Å; T198-V201 PolarHBondContact O-N 2.91Å | ||
| 199 | A | 54.8 | Low | 53 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -18.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | V183 | V183-A199 HydrophobicContact CG1-CB 3.94Å; V183-A199 HydrophobicContact CG2-CB 3.81Å |
| 200 | E | 56.9 | Low | 51.5 | Low | 149 Ų | 149 | 104.4 Ų | 104.4 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -27.8 | 175.5 | 62.5 | -148.1 | 150.6 | 0 | 0 | 113.6 | T198 | T198-E200 WeakPolarHBondContact CB-OE1 3.41Å; T198-E200 PolarHBondContact O-N 3.39Å; T198-E200 VanDerWaalsContact OG1-CG 3.27Å; T198-E200 WeakPolarHBondContact OG1-CG 3.4Å; T198-E200 PolarHBondContact OG1-OE1 2.97Å |
| 201 | V | 59.1 | Low | 50.5 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 64% | 0.642 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -24 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | T198 | T198-V201 PolarHBondContact O-N 2.91Š|
| 202 | L | 54 | Low | 49.4 | Very low | 50 Ų | 50 | 102.5 Ų | 102.5 | 26% | 0.262 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | 2.4 | 179.1 | -69.3 | 169.8 | 0 | 0 | 0 | 113.9 | R179 W182 V183 V197 D204 | R179-L202 WeakPolarHBondContact O-CD1 3.35Å; W182-L202 HydrophobicContact CB-CD1 3.69Å; V183-L202 HydrophobicContact CG2-CD1 4.01Å; V197-L202 HydrophobicContact CG1-CD1 3.69Å; V197-L202 HydrophobicContact CG1-CD2 4.41Å; V197-L202 HydrophobicContact CG1-CG 3.9Å; L202-D204 PolarHBondContact O-N 3.25Å |
| 203 | K | 48.4 | Very low | 48.4 | Very low | 175 Ų | 175 | 108.9 Ų | 108.9 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | trans | -86 | 94 | 178.1 | -159.6 | -175.4 | -178.4 | -168.5 | 0 | 108.1 | ||||
| 204 | D | 46.4 | Very low | 47.9 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | trans | -61.4 | 137.8 | 171.8 | -77.1 | -47.3 | 0 | 0 | 0 | 110.6 | R179 L202 S206 | R179-D204 IonicContact NH2-OD2 3.45Å; R179-D204 PolarHBondContact NH2-OD2 3.42Å; L202-D204 PolarHBondContact O-N 3.25Å; D204-S206 PolarHBondContact O-N 3.36Å | ||
| 205 | P | 48.6 | Very low | 47.3 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | trans | -80.8 | 55 | -172.1 | 35.3 | -38.6 | 0 | 0 | 0 | 112.4 | D207 | P205-D207 VanDerWaalsContact C-N 3.29Å; P205-D207 PolarHBondContact O-N 3.45Å | ||
| 206 | S | 46.3 | Very low | 46.4 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 2.4 | -179.4 | -63 | 0 | 0 | 0 | 0 | 115 | D204 | D204-S206 PolarHBondContact O-N 3.36Š|
| 207 | D | 39.4 | Very low | 45.6 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 12.3 | -179.6 | -69.6 | -28.3 | 0 | 0 | 0 | 114.7 | P205 | P205-D207 VanDerWaalsContact C-N 3.29Å; P205-D207 PolarHBondContact O-N 3.45Å |
| 208 | S | 38.2 | Very low | 44.5 | Very low | 93 Ų | 93 | 119 Ų | 119 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | trans | -100.2 | 89.9 | 172.5 | 31.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 209 | S | 42.7 | Very low | 44.1 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -61.3 | 144.7 | 158.4 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 210 | E | 34.1 | Very low | 43.3 | Very low | 174 Ų | 174 | 125.9 Ų | 125.9 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 103.7 | 107 | 157.6 | -145.9 | 164.4 | -157.6 | 0 | 0 | 117.3 | ||
| 211 | Y | 34.9 | Very low | 42.5 | Very low | 211 Ų | 211 | 129.2 Ų | 129.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 63 | 102.7 | 156.4 | -88.2 | -98.3 | 0 | 0 | 0 | 120.9 | ||||
| 212 | A | 40.7 | Very low | 42.3 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | 40.9 | 111.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 213 | E | 34.1 | Very low | 42 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | -165.5 | 140.9 | 111 | -145.7 | 162.9 | -172.9 | 0 | 0 | 109.6 | P215 | E213-P215 WeakPolarHBondContact O-CD 3.45Š| |||
| 214 | V | 41.5 | Very low | 42.4 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -80.8 | 132.8 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 215 | P | 39.1 | Very low | 43 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -110.7 | 120.4 | 148 | 5.5 | 15.4 | 0 | 0 | 0 | 110.2 | E213 | E213-P215 WeakPolarHBondContact O-CD 3.45Š| ||
| 216 | T | 40.8 | Very low | 44 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -57 | 147.3 | 167.5 | -42.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 217 | A | 41.7 | Very low | 45.2 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | 80.5 | 103.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 218 | G | 37.6 | Very low | 46.9 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | 173.9 | 95.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G220 | G218-G220 PolarHBondContact O-N 3.32Š| ||
| 219 | E | 46.7 | Very low | 48.4 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | trans | -53.6 | 99.4 | 174.9 | -82.9 | 167.4 | 142.5 | 0 | 0 | 110 | ||||
| 220 | G | 37.5 | Very low | 49.7 | Very low | 58 Ų | 58 | 128.7 Ų | 128.7 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | trans | -71.7 | 132.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G218 R222 | G218-G220 PolarHBondContact O-N 3.32Å; G220-R222 PolarHBondContact O-N 2.96Å | ||
| 221 | F | 41.3 | Very low | 51.3 | Low | 218 Ų | 218 | 122.4 Ų | 122.4 | 96% | 0.956 | 67% | 0.67 | S | S | * | * | trans | -49.1 | 114.6 | 175.7 | -71.7 | -86.2 | 0 | 0 | 0 | 110.6 | ||||
| 222 | R | 54.5 | Low | 52.9 | Low | 165 Ų | 165 | 113.9 Ų | 113.9 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | trans | -78.7 | 128.8 | 174.5 | -64.5 | -118.7 | 77.6 | 172.6 | 3.5 | 107.5 | G220 E224 D225 | G220-R222 PolarHBondContact O-N 2.96Å; R222-E224 VanDerWaalsContact CB-OE2 3.27Å; R222-E224 WeakPolarHBondContact CB-OE2 3.41Å; R222-E224 IonicContact NE-OE2 2.91Å; R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.11Å; R222-D225 PolarHBondContact O-N 3.02Å | ||
| 223 | L | 47.7 | Very low | 53.9 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -63.3 | -18.5 | 179.7 | -166 | 68.3 | 0 | 0 | 0 | 111.2 | D225 V226 W228 | L223-D225 VanDerWaalsContact C-N 3.33Å; L223-V226 HydrophobicContact CD1-CG2 4.34Å; L223-V226 WeakPolarHBondContact O-CB 3.45Å; L223-W228 HydrophobicContact CD1-CZ2 4.46Å |
| 224 | E | 57.2 | Low | 55.5 | Low | 137 Ų | 137 | 116.2 Ų | 116.2 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -70.9 | -22 | 175 | -58.3 | 78.3 | -165.7 | 0 | 0 | 113.6 | R222 V226 | R222-E224 VanDerWaalsContact CB-OE2 3.27Å; R222-E224 WeakPolarHBondContact CB-OE2 3.41Å; R222-E224 IonicContact NE-OE2 2.91Å; R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.11Å; E224-V226 VanDerWaalsContact C-N 3.28Å; E224-V226 PolarHBondContact O-N 3.48Å |
| 225 | D | 58.4 | Low | 56.4 | Low | 135 Ų | 135 | 116.9 Ų | 116.9 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -88.3 | 2.9 | 178.9 | -62.7 | -30.3 | 0 | 0 | 0 | 112.8 | R222 L223 D227 | R222-D225 PolarHBondContact O-N 3.02Å; L223-D225 VanDerWaalsContact C-N 3.33Å; D225-D227 PolarHBondContact O-N 3.43Å |
| 226 | V | 69.4 | Low | 57.3 | Low | 49 Ų | 49 | 114.8 Ų | 114.8 | 30% | 0.297 | 61% | 0.607 | S | S | . | * | trans | -82.3 | 109.1 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | L223 E224 W228 I231 | L223-V226 HydrophobicContact CD1-CG2 4.34Å; L223-V226 WeakPolarHBondContact O-CB 3.45Å; E224-V226 VanDerWaalsContact C-N 3.28Å; E224-V226 PolarHBondContact O-N 3.48Å; V226-W228 HydrophobicContact CB-CZ2 4.48Å; V226-W228 HydrophobicContact CG1-CD2 4.18Å; V226-W228 HydrophobicContact CG1-CH2 4.5Å; V226-W228 HydrophobicContact CG1-CZ2 4.14Å; V226-W228 PolarHBondContact O-N 3.26Å; V226-I231 HydrophobicContact CG1-CD1 3.32Å | ||
| 227 | D | 71.2 | Confident | 58.2 | Low | 89 Ų | 89 | 115.2 Ų | 115.2 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | trans | -70.8 | 92.6 | 170.9 | 178.2 | 17.1 | 0 | 0 | 0 | 110.8 | D225 N229 S230 I231 | D225-D227 PolarHBondContact O-N 3.43Å; D227-N229 PolarHBondContact O-N 3.01Å; D227-N229 VanDerWaalsContact OD1-CB 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.44Å; D227-N229 PolarHBondContact OD1-N 2.86Å; D227-S230 PolarHBondContact O-N 2.93Å; D227-S230 PolarHBondContact OD1-N 3.19Å; D227-S230 WeakPolarHBondContact OD2-CB 3.45Å; D227-S230 PolarHBondContact OD2-N 2.96Å; D227-S230 PolarHBondContact OD2-OG 3.45Å; D227-I231 PolarHBondContact O-N 3.49Å | ||
| 228 | W | 75.4 | Confident | 59.2 | Low | 145 Ų | 145 | 115.6 Ų | 115.6 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -25.7 | 177.3 | -67.4 | 102.7 | 0 | 0 | 0 | 113.1 | L223 V226 I231 A232 | L223-W228 HydrophobicContact CD1-CZ2 4.46Å; V226-W228 HydrophobicContact CB-CZ2 4.48Å; V226-W228 HydrophobicContact CG1-CD2 4.18Å; V226-W228 HydrophobicContact CG1-CH2 4.5Å; V226-W228 HydrophobicContact CG1-CZ2 4.14Å; V226-W228 PolarHBondContact O-N 3.26Å; W228-I231 HydrophobicContact CE3-CD1 4.21Å; W228-I231 HydrophobicContact CZ3-CD1 4.38Å; W228-I231 PolarHBondContact O-N 3.02Å; W228-A232 WeakPolarHBondContact O-CB 3.27Å; W228-A232 PolarHBondContact O-N 2.94Å |
| 229 | N | 69.6 | Low | 60 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.2 | -44.1 | 176.8 | -110.8 | -4.2 | 0 | 0 | 0 | 110.9 | D227 I231 A232 H233 | D227-N229 PolarHBondContact O-N 3.01Å; D227-N229 VanDerWaalsContact OD1-CB 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.44Å; D227-N229 PolarHBondContact OD1-N 2.86Å; N229-I231 PolarHBondContact O-N 3.47Å; N229-A232 PolarHBondContact O-N 3.3Å; N229-H233 PolarHBondContact O-CD2 2.94Å; N229-H233 PolarHBondContact O-N 3.38Å |
| 230 | S | 69.5 | Low | 60.2 | Low | 51 Ų | 51 | 110.1 Ų | 110.1 | 36% | 0.357 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -25 | 173.9 | -75.7 | 0 | 0 | 0 | 0 | 113.8 | D227 R234 | D227-S230 PolarHBondContact O-N 2.93Å; D227-S230 PolarHBondContact OD1-N 3.19Å; D227-S230 WeakPolarHBondContact OD2-CB 3.45Å; D227-S230 PolarHBondContact OD2-N 2.96Å; D227-S230 PolarHBondContact OD2-OG 3.45Å; S230-R234 WeakPolarHBondContact O-CG 3.49Å; S230-R234 PolarHBondContact O-N 2.97Å; S230-R234 PolarHBondContact O-NE 3.37Å |
| 231 | I | 69.4 | Low | 60.4 | Low | 41 Ų | 41 | 115.2 Ų | 115.2 | 21% | 0.21 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -79.7 | -42.5 | 174.7 | -66.5 | 171.7 | 0 | 0 | 0 | 110.7 | V226 D227 W228 N229 H233 R234 Y235 | V226-I231 HydrophobicContact CG1-CD1 3.32Å; D227-I231 PolarHBondContact O-N 3.49Å; W228-I231 HydrophobicContact CE3-CD1 4.21Å; W228-I231 HydrophobicContact CZ3-CD1 4.38Å; W228-I231 PolarHBondContact O-N 3.02Å; N229-I231 PolarHBondContact O-N 3.47Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.92Å; I231-R234 PolarHBondContact O-N 2.83Å; I231-Y235 HydrophobicContact CG2-CD2 4.48Å; I231-Y235 PolarHBondContact O-N 2.79Å |
| 232 | A | 67.3 | Low | 60.7 | Low | 32 Ų | 32 | 112.3 Ų | 112.3 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W228 N229 Y235 F239 | W228-A232 WeakPolarHBondContact O-CB 3.27Å; W228-A232 PolarHBondContact O-N 2.94Å; N229-A232 PolarHBondContact O-N 3.3Å; A232-Y235 CarbonylContact O-C 3.59Å; A232-F239 HydrophobicContact CB-CD2 4.12Å; A232-F239 HydrophobicContact CB-CE2 3.84Å |
| 233 | H | 62.3 | Low | 60 | Low | 155 Ų | 155 | 108.4 Ų | 108.4 | 72% | 0.718 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71 | -31.1 | 175.5 | -72.1 | -57 | 0 | 0 | 0 | 113.8 | N229 I231 | N229-H233 PolarHBondContact O-CD2 2.94Å; N229-H233 PolarHBondContact O-N 3.38Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.92Å |
| 234 | R | 67.9 | Low | 59.6 | Low | 172 Ų | 172 | 112.8 Ų | 112.8 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -80.9 | -25.9 | 178.8 | -80.9 | -170.3 | -72.6 | -173.4 | -2.1 | 113.5 | S230 I231 | S230-R234 WeakPolarHBondContact O-CG 3.49Å; S230-R234 PolarHBondContact O-N 2.97Å; S230-R234 PolarHBondContact O-NE 3.37Å; I231-R234 PolarHBondContact O-N 2.83Å |
| 235 | Y | 60.3 | Low | 58.7 | Low | 140 Ų | 140 | 115.5 Ų | 115.5 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | trans | -136.7 | 71.7 | -177.8 | -58.9 | -75.7 | 0 | 0 | 0 | 111 | I231 A232 N237 L238 | I231-Y235 HydrophobicContact CG2-CD2 4.48Å; I231-Y235 PolarHBondContact O-N 2.79Å; A232-Y235 CarbonylContact O-C 3.59Å; Y235-N237 PolarHBondContact O-N 3.26Å; Y235-L238 HydrophobicContact CD2-CD1 4.46Å; Y235-L238 HydrophobicContact CG-CD1 4.08Å; Y235-L238 PolarHBondContact O-N 3.16Å; Y235-L238 VanDerWaalsContact O-N 3.16Å | ||
| 236 | P | 58.3 | Low | 57.6 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -60.5 | -23.5 | -177.1 | 21.7 | -31.7 | 0 | 0 | 0 | 113.3 | L238 S240 | P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.37Å; P236-S240 PolarHBondContact O-OG 3.12Å; P236-S240 VanDerWaalsContact O-OG 3.09Å |
| 237 | N | 59.4 | Low | 55.9 | Low | 136 Ų | 136 | 119.4 Ų | 119.4 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -79.5 | -11.6 | -176.1 | -47.8 | -20.6 | 0 | 0 | 0 | 113.4 | Y235 F239 | Y235-N237 PolarHBondContact O-N 3.26Å; N237-F239 VanDerWaalsContact C-N 3.34Å |
| 238 | L | 61.6 | Low | 54.1 | Low | 116 Ų | 116 | 124 Ų | 124 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -76 | -23.7 | 178.6 | -75.7 | 174.2 | 0 | 0 | 0 | 112.5 | Y235 P236 | Y235-L238 HydrophobicContact CD2-CD1 4.46Å; Y235-L238 HydrophobicContact CG-CD1 4.08Å; Y235-L238 PolarHBondContact O-N 3.16Å; Y235-L238 VanDerWaalsContact O-N 3.16Å; P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.37Å |
| 239 | F | 54.9 | Low | 51.8 | Low | 92 Ų | 92 | 127.1 Ų | 127.1 | 40% | 0.404 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -106.7 | -3.3 | -174.7 | -60.6 | -80.2 | 0 | 0 | 0 | 113.4 | A232 N237 N241 M242 | A232-F239 HydrophobicContact CB-CD2 4.12Å; A232-F239 HydrophobicContact CB-CE2 3.84Å; N237-F239 VanDerWaalsContact C-N 3.34Å; F239-N241 VanDerWaalsContact C-N 3.27Å; F239-N241 PolarHBondContact O-N 3.17Å; F239-M242 PolarHBondContact O-N 3.27Å |
| 240 | S | 50.2 | Low | 49.8 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 49% | 0.49 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -16 | -176.4 | -43.1 | 0 | 0 | 0 | 0 | 114.5 | P236 | P236-S240 PolarHBondContact O-OG 3.12Å; P236-S240 VanDerWaalsContact O-OG 3.09Å |
| 241 | N | 43.3 | Very low | 47.9 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 2.9 | 178.4 | -82.2 | -18.5 | 0 | 0 | 0 | 114.1 | F239 | F239-N241 VanDerWaalsContact C-N 3.27Å; F239-N241 PolarHBondContact O-N 3.17Å |
| 242 | M | 47.7 | Very low | 45.9 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -104.5 | 1.8 | 179.8 | -78.4 | 175.6 | 62.3 | 0 | 0 | 114 | F239 Y244 | F239-M242 PolarHBondContact O-N 3.27Å; M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.27Å |
| 243 | S | 38.9 | Very low | 44.1 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 58% | 0.58 | 73% | 0.725 | S | S | * | * | trans | -92.6 | 50.3 | 179.5 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 244 | Y | 40.1 | Very low | 42.3 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -154.3 | 84.5 | 161.3 | -83.5 | -75.7 | 0 | 0 | 0 | 107.5 | M242 | M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.27Å |
| 245 | H | 37.5 | Very low | 40.3 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 90% | 0.903 | 75% | 0.745 | S | S | * | * | trans | 167.4 | 70.4 | 152 | -77.3 | -46.5 | 0 | 0 | 0 | 107.6 | ||||
| 246 | S | 34.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -150.1 | 68 | 165.2 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 247 | D | 35.2 | Very low | 37 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -138 | 64.3 | 156.8 | -92.1 | -34.3 | 0 | 0 | 0 | 108.7 | ||||
| 248 | H | 32.3 | Very low | 35.4 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 97.5 | 157.5 | -72.9 | -57.7 | 0 | 0 | 0 | 108.2 | L250 | H248-L250 PolarHBondContact O-N 3.36Å; H248-L250 VanDerWaalsContact O-N 3.1Å | ||
| 249 | K | 26.9 | Very low | 33.7 | Very low | 212 Ų | 212 | 149.5 Ų | 149.5 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 108.7 | 161.6 | -85.1 | 178.4 | 172.2 | 177.7 | 0 | 108.7 | ||||
| 250 | L | 27.6 | Very low | 32.3 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.9 | 151.1 | -92 | 97.5 | 0 | 0 | 0 | 108.5 | H248 | H248-L250 PolarHBondContact O-N 3.36Å; H248-L250 VanDerWaalsContact O-N 3.1Å |
| 251 | P | 31.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75 | 130.4 | 158.4 | -7.5 | 24.8 | 0 | 0 | 0 | 109.4 | ||
| 252 | Q | 25.8 | Very low | 30.3 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 156.5 | 172 | -112.2 | -174.6 | -28.1 | 0 | 0 | 112 | ||
| 253 | P | 29.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 147.7 | -171.9 | 35.3 | -30.6 | 0 | 0 | 0 | 112.3 | ||
| 254 | Q | 25 | Very low | 28.5 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -114.3 | 122.2 | 159.9 | -73.8 | -170 | -45.9 | 0 | 0 | 109.3 | ||||
| 255 | Q | 26.7 | Very low | 27.8 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -88.8 | 130.9 | 173.5 | -78 | -178.4 | -31.2 | 0 | 0 | 111 | ||||
| 256 | S | 25.5 | Very low | 27.2 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 52.8 | 125.4 | 137.8 | 63.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 257 | S | 23.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | -148.8 | 120.2 | 121 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 258 | E | 24.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | -45.7 | 165.5 | 150.3 | -87.6 | 171.1 | 124.3 | 0 | 0 | 113 | ||||
| 259 | M | 26.8 | Very low | 26 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 70% | 0.7 | 82% | 0.821 | S | S | * | * | cis | -169.5 | 162.6 | -6.5 | 175.4 | 118.6 | 85.5 | 0 | 0 | 106.3 | ||||
| 260 | D | 25 | Very low | 26.1 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 100.4 | 142.6 | 148.9 | -80.3 | -22.9 | 0 | 0 | 0 | 124 | ||||
| 261 | A | 27.1 | Very low | 26.1 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | trans | -89.4 | 158.7 | -157 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 262 | S | 24.2 | Very low | 26.1 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | 162.5 | 151.6 | 118.5 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 263 | D | 23.8 | Very low | 26.8 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -52.5 | 152.5 | -172.5 | -62.4 | -52.6 | 0 | 0 | 0 | 118.1 | ||||
| 264 | S | 26.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | -179.8 | 144.1 | 122.1 | -78.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 265 | E | 25.3 | Very low | 27 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -67.8 | 152.8 | -179.4 | -66.7 | 173.7 | 128.7 | 0 | 0 | 115.1 | ||||
| 266 | S | 24.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | 127.4 | 110.4 | 127.1 | 74.1 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 267 | V | 26.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | 67.5 | 105.2 | 129.2 | -172.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 268 | K | 27.2 | Very low | 27.1 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | -179.9 | 117.6 | 102.1 | -90.8 | -179.3 | -172.5 | 174 | 0 | 112.1 | |||||
| 269 | H | 23.4 | Very low | 27.2 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | -74.3 | 128.8 | 168.2 | -108.5 | -85.9 | 0 | 0 | 0 | 111.2 | ||||
| 270 | V | 29.2 | Very low | 27.2 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | trans | -149.4 | 111.7 | 141.7 | 173.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 271 | E | 26.8 | Very low | 27.3 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -164.5 | 137 | 151.7 | -112.6 | 167 | -160.7 | 0 | 0 | 110.4 | ||||
| 272 | K | 30.1 | Very low | 27.5 | Very low | 203 Ų | 203 | 154.3 Ų | 154.3 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | trans | -125.1 | 166.8 | -179.6 | -107.7 | -168.1 | -177.1 | 179.2 | 0 | 107.7 | ||||
| 273 | P | 40.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | -104.6 | 160.9 | -119.9 | 38.9 | -36 | 0 | 0 | 0 | 114.2 | |||||
| 274 | G | 26 | Very low | 28.3 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -144.1 | 133.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 275 | K | 33.8 | Very low | 28.3 | Very low | 216 Ų | 216 | 152.5 Ų | 152.5 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -100.6 | 141.2 | 174.8 | -59.8 | 170 | 177.8 | 177.7 | 0 | 109.1 | ||||
| 276 | S | 25.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -164.5 | 122 | 146.1 | 67.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 277 | L | 28.2 | Very low | 28.3 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | 48.6 | 105.1 | 95.7 | -103.7 | 82.6 | 0 | 0 | 0 | 112.4 | |||||
| 278 | E | 24.7 | Very low | 28.3 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | 66.5 | 117.6 | 69.9 | -157.4 | 173.9 | -166 | 0 | 0 | 113.2 | |||||
| 279 | W | 26.6 | Very low | 28.4 | Very low | 254 Ų | 254 | 147.1 Ų | 147.1 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | trans | -89.9 | 131 | -166.1 | -66.7 | 88.8 | 0 | 0 | 0 | 111.8 | ||||
| 280 | S | 27 | Very low | 28.7 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -111.3 | 146.1 | 171.3 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 281 | A | 27.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -70.5 | 153.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 282 | L | 30.9 | Very low | 29 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -68.4 | 158.8 | 174.9 | -64.6 | 169 | 0 | 0 | 0 | 112.3 | ||||
| 283 | P | 37 | Very low | 29.2 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | -134.1 | 176.4 | 100 | 37.9 | -26.4 | 0 | 0 | 0 | 115 | |||||
| 284 | V | 27.1 | Very low | 28.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -94.3 | 136.4 | -157.5 | 151.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 285 | V | 27.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | 65.9 | 113.3 | 141.4 | 172.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 286 | D | 25.1 | Very low | 28.7 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 175.8 | 151.5 | 91.4 | -114.2 | -27.5 | 0 | 0 | 0 | 112.3 | |||||
| 287 | N | 25.1 | Very low | 28.8 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 92.4 | 123.4 | 154.9 | -59.8 | -6.2 | 0 | 0 | 0 | 122 | ||||
| 288 | S | 26 | Very low | 28.7 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -63.4 | 149 | 176.7 | -52 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 289 | S | 28.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 18.8 | 127.2 | 143.2 | 61.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 290 | S | 29.6 | Very low | 28.7 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 178.5 | 147.6 | 90.8 | -158.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 291 | E | 31 | Very low | 28.6 | Very low | 190 Ų | 190 | 126.8 Ų | 126.8 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | 40.7 | 136.7 | 148.4 | -78.9 | 169.3 | 121.8 | 0 | 0 | 122.4 | ||||
| 292 | G | 31.5 | Very low | 28.4 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | trans | 135.6 | 83 | 136.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 293 | T | 34.9 | Very low | 28.1 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | 39.7 | 123.5 | 134.2 | 56.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 294 | D | 30.3 | Very low | 27.8 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | 77 | 115.1 | 127.8 | -60.5 | -13 | 0 | 0 | 0 | 121.2 | |||||
| 295 | S | 30.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | 80.4 | 109.9 | 125.1 | -76.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 296 | D | 28.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | 89.6 | 112.5 | 116.3 | -61.7 | -34.6 | 0 | 0 | 0 | 120.2 | |||||
| 297 | Y | 27.1 | Very low | 27.8 | Very low | 220 Ų | 220 | 128.7 Ų | 128.7 | 86% | 0.863 | 76% | 0.762 | S | S | * | * | 46.5 | 120 | 129.1 | -81.6 | -87.8 | 0 | 0 | 0 | 119.3 | |||||
| 298 | S | 27.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 159.9 | 100.1 | 121.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 299 | S | 26.5 | Very low | 28 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | 78.5 | 103.3 | 104.4 | -175.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 300 | C | 23.2 | Very low | 27.9 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | 32.5 | 122.3 | 125.5 | -46.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 301 | Q | 25.2 | Very low | 27.8 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 172.5 | 131.6 | 93.4 | -97.3 | -176.5 | 1.6 | 0 | 0 | 112.6 | |||||
| 302 | L | 23.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 65.9 | 147.8 | 132.2 | -67.1 | 166.8 | 0 | 0 | 0 | 121.3 | ||||
| 303 | V | 24.3 | Very low | 27 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 98 | 87.1 | 154.2 | -165 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 304 | L | 30.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -22.6 | 131.5 | 136.4 | -71.6 | 152 | 0 | 0 | 0 | 112.6 | ||||
| 305 | H | 24.9 | Very low | 26.7 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | -161.4 | 126.9 | 123.3 | -93.9 | -63.6 | 0 | 0 | 0 | 110.7 | |||||
| 306 | S | 30 | Very low | 26.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -73.8 | 163.8 | 169 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 307 | G | 25.9 | Very low | 26.8 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 127.7 | 115.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 308 | G | 25.7 | Very low | 26.6 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | cis | 114.5 | 114.1 | 26.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 309 | K | 28.9 | Very low | 26.6 | Very low | 199 Ų | 199 | 126.8 Ų | 126.8 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | 165.1 | 117.1 | 152.8 | -101.2 | -177.6 | 169.6 | 177.3 | 0 | 108.7 | ||||
| 310 | V | 27.6 | Very low | 26.5 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | 95.6 | 118.1 | 69.5 | 156.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 311 | V | 26 | Very low | 26.7 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 72.4 | 127.6 | 144.3 | 179.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 312 | T | 24.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 179.4 | 144.5 | 67.5 | -24 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 313 | G | 22.2 | Very low | 27 | Very low | 60 Ų | 60 | 127 Ų | 127 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | 111.2 | 126.3 | 90.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 314 | H | 22.9 | Very low | 27 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | 42.4 | 123.2 | 149.8 | -61.3 | -73.8 | 0 | 0 | 0 | 122.1 | ||||
| 315 | S | 34.9 | Very low | 26.9 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -70.3 | 149.3 | 144.1 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | P | 36.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | -146.2 | 159.8 | 121.2 | 35.9 | -19.8 | 0 | 0 | 0 | 115.4 | |||||
| 317 | Q | 25 | Very low | 26.6 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 41.6 | 125.7 | 144.2 | -78.4 | 170.7 | -22.3 | 0 | 0 | 118.8 | ||||
| 318 | G | 23.4 | Very low | 26.5 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | 131.2 | 139.7 | 55 | 0 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 319 | T | 27.1 | Very low | 26.5 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | 179 | 119.9 | 94.6 | -52.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 320 | D | 24.2 | Very low | 26.3 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 40.6 | 135.5 | 136.8 | -46.1 | -28.8 | 0 | 0 | 0 | 122 | ||||
| 321 | L | 28.2 | Very low | 26.2 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | -172.7 | 122.5 | 94.2 | -88.9 | 174.2 | 0 | 0 | 0 | 113.2 | |||||
| 322 | T | 24.8 | Very low | 26.2 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 62.3 | 116.9 | 140.3 | 44.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 323 | S | 29.5 | Very low | 26.2 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | 97.5 | 138.7 | 69.9 | -139.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 324 | E | 26.1 | Very low | 26.3 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -149.9 | 133.7 | 24.8 | -72.9 | 174.3 | 107.9 | 0 | 0 | 108.2 | ||||
| 325 | Q | 26.6 | Very low | 26.5 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 71.9 | 114.7 | 79.9 | -166.7 | 174.9 | 6.3 | 0 | 0 | 116.5 | |||||
| 326 | M | 23.5 | Very low | 26.1 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | -170.4 | 117.7 | 122.5 | -102.5 | -162.8 | 121.4 | 0 | 0 | 111.3 | |||||
| 327 | Q | 26.1 | Very low | 25.8 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -146.1 | 136.4 | 150.4 | -153.1 | 174.9 | 20 | 0 | 0 | 107.6 | ||||
| 328 | E | 23 | Very low | 26.2 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -110.4 | 122.8 | -173.9 | -170.1 | 162.8 | -154.5 | 0 | 0 | 109.9 | ||||
| 329 | S | 25.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | 48.7 | 141.8 | 136.9 | -63.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 330 | T | 25.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -173.9 | 148.1 | 24.6 | 4.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 331 | R | 26.4 | Very low | 27.1 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | 13.6 | 153.7 | 135.9 | -104.3 | 178.9 | 171.2 | 163 | -3.3 | 120.3 | ||||
| 332 | S | 25.3 | Very low | 27.2 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | cis | -177.7 | 159.7 | 21 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 333 | G | 25 | Very low | 27.2 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 87.1 | 151.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 334 | S | 24.1 | Very low | 26.9 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | cis | 174 | 125.8 | -7.6 | 152.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 335 | G | 26.6 | Very low | 27.3 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 73.1 | 156.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 336 | H | 26.7 | Very low | 27.7 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | cis | -179.5 | 144.4 | -12.9 | -177.3 | 19.4 | 0 | 0 | 0 | 105.4 | E338 | H336-E338 IonicContact CE1-OE1 3.04Å; H336-E338 PolarHBondContact CE1-OE1 2.86Å | ||
| 337 | M | 29 | Very low | 28.1 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | trans | 152.7 | 103.6 | 150.2 | -85.4 | -179.2 | 73.8 | 0 | 0 | 107.4 | ||||
| 338 | E | 33.2 | Very low | 28.2 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | 51.7 | 130.7 | 74.4 | -79.3 | -179.5 | -174.6 | 0 | 0 | 113.2 | H336 | H336-E338 IonicContact CE1-OE1 3.04Å; H336-E338 PolarHBondContact CE1-OE1 2.86Å | |||
| 339 | D | 29.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | cis | -171.8 | 162.9 | 0.9 | -149.8 | 0.4 | 0 | 0 | 0 | 110.7 | ||||
| 340 | L | 35.3 | Very low | 28.6 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 49% | 0.492 | 77% | 0.769 | S | S | . | * | trans | 51.5 | 139.8 | 148.7 | -72.1 | 158 | 0 | 0 | 0 | 121.5 | K342 | L340-K342 HydrophobicContact CD2-CD 4.3Š| ||
| 341 | H | 30.2 | Very low | 28.5 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | -152.9 | 131.2 | 44.4 | -72.8 | -91.7 | 0 | 0 | 0 | 110.7 | ||||
| 342 | K | 29.1 | Very low | 28.4 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 48.2 | 129 | 94.5 | -93.1 | 171.2 | 179 | 169.9 | 0 | 113.6 | L340 | L340-K342 HydrophobicContact CD2-CD 4.3Š| |||
| 343 | S | 24.7 | Very low | 28.5 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -177.2 | 130.7 | 34.4 | 39.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 344 | R | 24.2 | Very low | 28.7 | Very low | 241 Ų | 241 | 138.5 Ų | 138.5 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | 88.2 | 110.4 | 96.2 | -168.1 | 173.2 | -171.7 | -165.4 | 4.7 | 114.9 | |||||
| 345 | S | 33.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -70 | 163.6 | 157.7 | -37.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 346 | P | 36.7 | Very low | 29 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | -133.8 | 137.7 | 134.7 | 34.4 | -20.9 | 0 | 0 | 0 | 113 | ||||
| 347 | S | 31.4 | Very low | 29.2 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 149.7 | 155.3 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 348 | D | 28.7 | Very low | 28.9 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -170.4 | 147.2 | 135 | -93.5 | -23 | 0 | 0 | 0 | 113.1 | ||||
| 349 | S | 27.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -93 | 152.9 | -171.7 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 350 | K | 27.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | 178.4 | 112.7 | 133 | -107 | 173 | 173 | 171.7 | 0 | 114.5 | ||||
| 351 | T | 24.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 29.9 | 131 | 128.3 | 9.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 352 | V | 24.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 145 Ų | 145 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 137.7 | 134.8 | 121.1 | 174 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 353 | L | 27.3 | Very low | 29.7 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 86.5 | 99.5 | 158 | -84.3 | 156.5 | 0 | 0 | 0 | 119.9 | ||||
| 354 | E | 28.6 | Very low | 30 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 153.1 | 141.8 | -92.3 | -151.5 | 152.8 | 0 | 0 | 111.4 | F356 | E354-F356 WeakPolarHBondContact OE2-CD2 3.49Å; E354-F356 WeakPolarHBondContact OE2-CE2 3.41Å | ||
| 355 | P | 28.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | -132.2 | 133.3 | 127 | 16.6 | 3.7 | 0 | 0 | 0 | 113.3 | |||||
| 356 | F | 28.9 | Very low | 30.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | -67.4 | 130 | 160.8 | -92.2 | -101.1 | 0 | 0 | 0 | 111 | E354 | E354-F356 WeakPolarHBondContact OE2-CD2 3.49Å; E354-F356 WeakPolarHBondContact OE2-CE2 3.41Å | ||
| 357 | A | 30 | Very low | 30.5 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -178.6 | 131.3 | 131.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 358 | D | 24.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 65.8 | 105.7 | 143.4 | -85.1 | -28.5 | 0 | 0 | 0 | 124 | H360 | D358-H360 PolarHBondContact O-N 3.37Š| ||
| 359 | L | 43 | Very low | 31.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 26.3 | 79 | 117.8 | -80.1 | 141.3 | 0 | 0 | 0 | 118 | |||||
| 360 | H | 37.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -166.2 | 98.4 | 137.8 | -131.3 | -92.7 | 0 | 0 | 0 | 110.3 | D358 | D358-H360 PolarHBondContact O-N 3.37Š| ||
| 361 | L | 31.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -136.8 | 107.2 | 163.6 | -97.9 | 114 | 0 | 0 | 0 | 111.2 | Y363 | L361-Y363 PolarHBondContact O-N 2.91Š| ||
| 362 | Q | 31.2 | Very low | 34.3 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -51 | 117 | 153.8 | -73.2 | 168.9 | 0.7 | 0 | 0 | 108.4 | A364 | Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.68Å | ||
| 363 | Y | 29.8 | Very low | 36.2 | Very low | 216 Ų | 216 | 135 Ų | 135 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | trans | -77.6 | 81.7 | 178.1 | -70.9 | -79.9 | 0 | 0 | 0 | 110.9 | L361 R365 | L361-Y363 PolarHBondContact O-N 2.91Å; Y363-R365 VanDerWaalsContact C-N 3.29Å; Y363-R365 PolarHBondContact O-N 3.46Å | ||
| 364 | A | 31.8 | Very low | 38.9 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | -70.5 | 94.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q362 P366 | Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.68Å; A364-P366 WeakPolarHBondContact O-CD 3.36Å | ||
| 365 | R | 30.2 | Very low | 41.8 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 53% | 0.525 | 67% | 0.668 | S | S | . | * | trans | -70.7 | 114 | -174.2 | -162.1 | 175 | -165 | 173.5 | -0.9 | 109.9 | Y363 E476 | Y363-R365 VanDerWaalsContact C-N 3.29Å; Y363-R365 PolarHBondContact O-N 3.46Å; R365-E476 IonicContact CZ-OE1 3.65Å; R365-E476 IonicContact CZ-OE2 2.98Å; R365-E476 IonicContact NE-OE1 3.9Å; R365-E476 IonicContact NE-OE2 3.56Å; R365-E476 IonicContact NH1-OE1 3.36Å; R365-E476 PolarHBondContact NH1-OE1 2.89Å; R365-E476 IonicContact NH1-OE2 3.98Å; R365-E476 IonicContact NH2-OE1 3.27Å; R365-E476 PolarHBondContact NH2-OE1 3.34Å; R365-E476 IonicContact NH2-OE2 2.74Å; R365-E476 PolarHBondContact NH2-OE2 3.48Å | ||
| 366 | P | 35.7 | Very low | 44.9 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 62% | 0.617 | 65% | 0.651 | S | S | * | * | trans | -69.2 | 137.7 | 170.7 | -11.8 | 29.5 | 0 | 0 | 0 | 108.3 | A364 L368 | A364-P366 WeakPolarHBondContact O-CD 3.36Å; P366-L368 VanDerWaalsContact C-N 3.29Å; P366-L368 PolarHBondContact O-N 3.28Å | ||
| 367 | Q | 37.8 | Very low | 47.9 | Very low | 195 Ų | 195 | 112.8 Ų | 112.8 | 91% | 0.911 | 61% | 0.614 | S | S | * | * | trans | -57.8 | 92.9 | 165.9 | -74.1 | -92.7 | 12.6 | 0 | 0 | 108.6 | N369 | Q367-N369 PolarHBondContact O-N 2.84Å; Q367-N369 VanDerWaalsContact O-N 3.1Å | ||
| 368 | L | 40 | Very low | 50.6 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 63% | 0.634 | 60% | 0.595 | S | S | * | * | trans | -75.1 | 96.3 | 177.1 | -74.9 | 154.2 | 0 | 0 | 0 | 108.3 | P366 P370 | P366-L368 VanDerWaalsContact C-N 3.29Å; P366-L368 PolarHBondContact O-N 3.28Å; L368-P370 HydrophobicContact CB-CG 3.69Å; L368-P370 HydrophobicContact CD2-CB 4.39Å; L368-P370 HydrophobicContact CD2-CG 3.3Å; L368-P370 HydrophobicContact CG-CG 4.08Å | ||
| 369 | N | 42.5 | Very low | 53.5 | Low | 163 Ų | 163 | 104.8 Ų | 104.8 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | trans | -111 | 75.5 | 145.6 | -87.6 | -15.8 | 0 | 0 | 0 | 108 | Q367 | Q367-N369 PolarHBondContact O-N 2.84Å; Q367-N369 VanDerWaalsContact O-N 3.1Å | ||
| 370 | P | 41 | Very low | 55.5 | Low | 88 Ų | 88 | 99 Ų | 99 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | trans | -102.5 | -0.4 | -171.7 | 6.5 | 18.2 | 0 | 0 | 0 | 113.2 | L368 | L368-P370 HydrophobicContact CB-CG 3.69Å; L368-P370 HydrophobicContact CD2-CB 4.39Å; L368-P370 HydrophobicContact CD2-CG 3.3Å; L368-P370 HydrophobicContact CG-CG 4.08Å | ||
| 371 | L | 43.3 | Very low | 57.5 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -139.8 | 138.6 | -177.2 | -64.4 | 168.4 | 0 | 0 | 0 | 106.8 | C373 | L371-C373 PolarHBondContact O-N 2.99Š|
| 372 | G | 53.8 | Low | 59.5 | Low | 91 Ų | 91 | 91.5 Ų | 91.5 | 94% | 0.938 | 50% | 0.498 | S | S | * | . | trans | -64.3 | 48.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C374 | G372-C374 PolarHBondContact O-N 3.09Š| ||
| 373 | C | 65.3 | Low | 61.2 | Low | 45 Ų | 45 | 93 Ų | 93 | 30% | 0.304 | 50% | 0.497 | S | S | . | . | trans | -72.9 | 113 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 107.3 | L371 L375 L474 | L371-C373 PolarHBondContact O-N 2.99Å; C373-L375 PolarHBondContact O-N 3.21Å; C373-L474 HydrophobicContact CB-CD2 4.47Å; C373-L474 VanDerWaalsContact SG-CD2 3.57Å | ||
| 374 | C | 83 | Confident | 63.1 | Low | 23 Ų | 23 | 88.2 Ų | 88.2 | 16% | 0.155 | 48% | 0.482 | C | S | . | . | trans | -71.7 | -7.3 | 177.1 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | G372 N391 Q392 V398 | G372-C374 PolarHBondContact O-N 3.09Å; C374-N391 CarbonylContact O-C 3.55Å; C374-Q392 WeakPolarHBondContact O-CA 3.31Å; C374-Q392 VanDerWaalsContact O-CB 3.27Å; C374-Q392 WeakPolarHBondContact O-CB 3.34Å; C374-Q392 WeakPolarHBondContact O-CG 3.46Å; C374-Q392 PolarHBondContact O-N 3.14Å; C374-V398 WeakPolarHBondContact SG-CG2 3.38Å | ||
| 375 | L | 90.5 | Very high | 65.4 | Low | 8 Ų | 8 | 88.7 Ų | 88.7 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.6 | -179.1 | -62.7 | 177 | 0 | 0 | 0 | 112.3 | C373 N391 V398 L400 F403 L425 L466 L474 | C373-L375 PolarHBondContact O-N 3.21Å; L375-N391 HydrophobicContact CD2-CB 3.93Å; L375-V398 HydrophobicContact CD1-CG1 3.8Å; L375-V398 HydrophobicContact CD2-CB 4.17Å; L375-V398 HydrophobicContact CD2-CG1 4.33Å; L375-V398 HydrophobicContact CD2-CG2 4.18Å; L375-V398 HydrophobicContact CG-CG1 4.23Å; L375-V398 HydrophobicContact CG-CG2 4.4Å; L375-L400 HydrophobicContact CD1-CD2 3.38Å; L375-L400 HydrophobicContact CD2-CD2 4.11Å; L375-L400 HydrophobicContact CG-CD2 4.39Å; L375-F403 HydrophobicContact CD1-CD2 4.27Å; L375-F403 HydrophobicContact CD1-CE2 3.7Å; L375-L425 HydrophobicContact CD2-CD2 3.97Å; L375-L466 HydrophobicContact CB-CD2 4.11Å; L375-L466 HydrophobicContact CD1-CD2 4.11Å; L375-L474 HydrophobicContact CD1-CD1 4.2Å |
| 376 | K | 92.1 | Very high | 68 | Low | 102 Ų | 102 | 83.3 Ų | 83.3 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.6 | 177 | -175.8 | 176.5 | -178.1 | 174.4 | 0 | 112.1 | A378 I389 L390 Q392 | K376-A378 PolarHBondContact O-N 3.36Å; K376-I389 CarbonylContact O-C 3.49Å; K376-I389 WeakPolarHBondContact O-CA 3.16Å; K376-L390 PolarHBondContact N-O 3.29Å; K376-L390 PolarHBondContact O-N 3.39Å; K376-Q392 HydrophobicContact CB-CG 3.97Å |
| 377 | I | 91.3 | Very high | 70.5 | Confident | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 103.6 | 164.4 | -59.9 | 165.8 | 0 | 0 | 0 | 107.9 | V380 I387 R388 L405 T464 L466 S475 H477 | I377-V380 HydrophobicContact CG2-CG2 3.66Å; I377-I387 HydrophobicContact CG2-CG2 4.07Å; I377-R388 CarbonylContact C-O 3.58Å; I377-L405 HydrophobicContact CD1-CD1 4.33Å; I377-T464 HydrophobicContact CD1-CG2 3.99Å; I377-T464 WeakPolarHBondContact CD1-O 3.48Å; I377-L466 HydrophobicContact CD1-CB 4.19Å; I377-L466 HydrophobicContact CG1-CB 4.36Å; I377-S475 PolarHBondContact N-OG 3.3Å; I377-H477 HydrophobicContact CB-CB 3.98Å; I377-H477 HydrophobicContact CD1-CB 4.15Å; I377-H477 HydrophobicContact CG2-CB 3.62Å |
| 378 | A | 87.1 | Confident | 73.1 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -31.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K376 R388 L390 | K376-A378 PolarHBondContact O-N 3.36Å; A378-R388 PolarHBondContact N-O 3.27Å; A378-L390 HydrophobicContact CB-CB 3.89Å |
| 379 | A | 85.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 142.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F386 R388 | A379-F386 HydrophobicContact CB-CE2 4.16Å; A379-R388 HydrophobicContact CB-CB 4.29Å; A379-R388 PolarHBondContact N-O 2.83Å; A379-R388 PolarHBondContact O-N 2.94Å |
| 380 | V | 85.1 | Confident | 78 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 113 | 166.9 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | I377 I387 H477 | I377-V380 HydrophobicContact CG2-CG2 3.66Å; V380-I387 HydrophobicContact CG1-CG1 4.06Å; V380-I387 HydrophobicContact CG2-CG1 4.16Å; V380-I387 HydrophobicContact CG2-CG2 4.12Å; V380-H477 HydrophobicContact CG2-CB 4.15Å; V380-H477 WeakPolarHBondContact CG2-CD2 3.48Å |
| 381 | S | 79.1 | Confident | 80.5 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.8 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | E384 R385 F386 | S381-E384 WeakPolarHBondContact OG-CB 3.26Å; S381-E384 PolarHBondContact OG-N 2.95Å; S381-E384 VanDerWaalsContact OG-N 3.11Å; S381-R385 WeakPolarHBondContact O-CA 3.25Å; S381-R385 PolarHBondContact O-N 3.39Å; S381-F386 PolarHBondContact N-O 2.91Å; S381-F386 PolarHBondContact O-N 3.16Å; S381-F386 VanDerWaalsContact O-N 3.11Å |
| 382 | Y | 72.4 | Confident | 82.8 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.3 | 175.6 | 66.6 | -96.1 | 0 | 0 | 0 | 112.4 | S458 | Y382-S458 WeakPolarHBondContact CB-OG 3.09Å; Y382-S458 VanDerWaalsContact CD2-OG 3.27Å; Y382-S458 WeakPolarHBondContact CD2-OG 3.17Å |
| 383 | R | 68.9 | Low | 84.4 | Confident | 204 Ų | 204 | 54.1 Ų | 54.1 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -47.6 | 176.8 | -66.9 | -173 | 174.3 | -132.3 | -0.8 | 112.1 | R385 | R383-R385 VanDerWaalsContact C-N 3.32Š|
| 384 | E | 68.4 | Low | 85.3 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.6 | -176.1 | -62.4 | 174.9 | -155.6 | 0 | 0 | 112.1 | S381 F386 | S381-E384 WeakPolarHBondContact OG-CB 3.26Å; S381-E384 PolarHBondContact OG-N 2.95Å; S381-E384 VanDerWaalsContact OG-N 3.11Å; E384-F386 HydrophobicContact CB-CD1 3.53Å; E384-F386 HydrophobicContact CB-CE1 3.7Å; E384-F386 HydrophobicContact CG-CE1 4.45Å; E384-F386 PolarHBondContact O-N 2.81Å; E384-F386 VanDerWaalsContact OE2-CE1 3.25Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.38Å |
| 385 | R | 79.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 49.9 | 173.7 | -57.6 | -96.5 | -169 | 150.3 | 11.7 | 112 | S381 R383 G435 F456 | S381-R385 WeakPolarHBondContact O-CA 3.25Å; S381-R385 PolarHBondContact O-N 3.39Å; R383-R385 VanDerWaalsContact C-N 3.32Å; R385-G435 PolarHBondContact O-N 2.84Å; R385-F456 PolarHBondContact NH1-O 2.95Å; R385-F456 VanDerWaalsContact NH1-O 3.12Å |
| 386 | F | 85.1 | Confident | 85.3 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.1 | 178 | 77.6 | -102.1 | 0 | 0 | 0 | 113.2 | A379 S381 E384 R388 T432 V433 W434 | A379-F386 HydrophobicContact CB-CE2 4.16Å; S381-F386 PolarHBondContact N-O 2.91Å; S381-F386 PolarHBondContact O-N 3.16Å; S381-F386 VanDerWaalsContact O-N 3.11Å; E384-F386 HydrophobicContact CB-CD1 3.53Å; E384-F386 HydrophobicContact CB-CE1 3.7Å; E384-F386 HydrophobicContact CG-CE1 4.45Å; E384-F386 PolarHBondContact O-N 2.81Å; E384-F386 VanDerWaalsContact OE2-CE1 3.25Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.38Å; F386-R388 HydrophobicContact CD2-CB 4.26Å; F386-R388 HydrophobicContact CE2-CB 4.11Å; F386-T432 HydrophobicContact CB-CG2 3.72Å; F386-T432 HydrophobicContact CD2-CG2 3.64Å; F386-T432 HydrophobicContact CG-CG2 3.86Å; F386-V433 CarbonylContact C-O 3.54Å; F386-V433 VanDerWaalsContact CA-O 3.25Å; F386-V433 WeakPolarHBondContact CA-O 3.4Å; F386-W434 HydrophobicContact CB-CD2 3.93Å; F386-W434 HydrophobicContact CB-CE3 3.51Å; F386-W434 HydrophobicContact CB-CH2 4.3Å; F386-W434 HydrophobicContact CB-CZ3 3.72Å; F386-W434 HydrophobicContact CD1-CE3 4.23Å; F386-W434 AromaticContact CD1-CH2 3.82Å; F386-W434 HydrophobicContact CD1-CH2 3.82Å; F386-W434 AromaticContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CE1-CH2 4.46Å; F386-W434 HydrophobicContact CE1-CZ3 4.48Å; F386-W434 HydrophobicContact CG-CE3 4.24Å; F386-W434 HydrophobicContact CG-CH2 4.18Å; F386-W434 AromaticContact CG-CZ3 3.92Å; F386-W434 HydrophobicContact CG-CZ3 3.92Å |
| 387 | I | 89.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.9 | 171.5 | -60.7 | 169 | 0 | 0 | 0 | 108.4 | I377 V380 L405 T432 V433 F456 T464 | I377-I387 HydrophobicContact CG2-CG2 4.07Å; V380-I387 HydrophobicContact CG1-CG1 4.06Å; V380-I387 HydrophobicContact CG2-CG1 4.16Å; V380-I387 HydrophobicContact CG2-CG2 4.12Å; I387-L405 HydrophobicContact CB-CD2 3.94Å; I387-L405 HydrophobicContact CD1-CD2 3.46Å; I387-L405 VanDerWaalsContact CD1-CD2 3.46Å; I387-L405 HydrophobicContact CD1-CG 4.22Å; I387-L405 HydrophobicContact CG1-CD2 4.28Å; I387-L405 HydrophobicContact CG2-CD1 4.21Å; I387-L405 HydrophobicContact CG2-CD2 3.84Å; I387-T432 CarbonylContact O-C 3.51Å; I387-T432 WeakPolarHBondContact O-CA 3.48Å; I387-V433 PolarHBondContact N-O 3.3Å; I387-V433 PolarHBondContact O-N 3.42Å; I387-F456 HydrophobicContact CD1-CD1 3.49Å; I387-F456 VanDerWaalsContact CD1-CD1 3.49Å; I387-F456 HydrophobicContact CD1-CE1 3.36Å; I387-F456 HydrophobicContact CD1-CE2 4.48Å; I387-F456 HydrophobicContact CD1-CG 4.16Å; I387-F456 HydrophobicContact CD1-CZ 3.9Å; I387-F456 HydrophobicContact CG1-CD1 4.35Å; I387-F456 HydrophobicContact CG1-CE1 4.3Å; I387-F456 HydrophobicContact CG1-CZ 4.45Å; I387-T464 HydrophobicContact CD1-CG2 3.8Å; I387-T464 HydrophobicContact CG2-CG2 4.38Å |
| 388 | R | 91.4 | Very high | 85.1 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.6 | -179.4 | -173.2 | 172.1 | 64.1 | 179.7 | 1 | 110.4 | I377 A378 A379 F386 H430 I431 | I377-R388 CarbonylContact C-O 3.58Å; A378-R388 PolarHBondContact N-O 3.27Å; A379-R388 HydrophobicContact CB-CB 4.29Å; A379-R388 PolarHBondContact N-O 2.83Å; A379-R388 PolarHBondContact O-N 2.94Å; F386-R388 HydrophobicContact CD2-CB 4.26Å; F386-R388 HydrophobicContact CE2-CB 4.11Å; R388-H430 VanDerWaalsContact CD-CD2 3.43Å; R388-H430 WeakPolarHBondContact CD-CD2 3.46Å; R388-H430 HydrophobicContact CG-CB 3.96Å; R388-I431 CarbonylContact C-O 3.6Å; R388-I431 WeakPolarHBondContact CA-O 3.22Å |
| 389 | I | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.2 | 178 | -55.2 | 171.2 | 0 | 0 | 0 | 107.8 | K376 L405 F419 H430 I431 L466 | K376-I389 CarbonylContact O-C 3.49Å; K376-I389 WeakPolarHBondContact O-CA 3.16Å; I389-L405 HydrophobicContact CD1-CD1 4.35Å; I389-F419 HydrophobicContact CD1-CE1 4.49Å; I389-F419 HydrophobicContact CD1-CE2 3.95Å; I389-F419 HydrophobicContact CD1-CZ 3.46Å; I389-F419 VanDerWaalsContact CD1-CZ 3.46Å; I389-H430 CarbonylContact O-C 3.54Å; I389-H430 WeakPolarHBondContact O-CA 3.27Å; I389-H430 VanDerWaalsContact O-CB 3.3Å; I389-H430 WeakPolarHBondContact O-CB 3.39Å; I389-I431 HydrophobicContact CB-CG2 3.95Å; I389-I431 PolarHBondContact N-O 3.35Å; I389-I431 PolarHBondContact O-N 3.26Å; I389-L466 HydrophobicContact CD1-CD1 3.99Å; I389-L466 HydrophobicContact CD1-CD2 4.22Å; I389-L466 HydrophobicContact CG2-CD2 4.01Å |
| 390 | L | 92.3 | Very high | 85.6 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.6 | 179.6 | 175.5 | 68.4 | 0 | 0 | 0 | 109.2 | K376 A378 Q392 H430 | K376-L390 PolarHBondContact N-O 3.29Å; K376-L390 PolarHBondContact O-N 3.39Å; A378-L390 HydrophobicContact CB-CB 3.89Å; L390-Q392 HydrophobicContact CD2-CG 4.16Å; L390-Q392 HydrophobicContact CG-CG 4.25Å; L390-Q392 PolarHBondContact O-N 2.66Å; L390-H430 HydrophobicContact CD1-CB 4.19Å |
| 391 | N | 93.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 108 | 162.5 | -178.6 | -0.1 | 0 | 0 | 0 | 108.7 | C374 L375 S393 E396 L425 A426 Q428 H429 | C374-N391 CarbonylContact O-C 3.55Å; L375-N391 HydrophobicContact CD2-CB 3.93Å; N391-S393 VanDerWaalsContact C-N 3.28Å; N391-S393 WeakPolarHBondContact OD1-CA 3.5Å; N391-S393 WeakPolarHBondContact OD1-CB 3.32Å; N391-S393 PolarHBondContact OD1-N 3.09Å; N391-E396 PolarHBondContact ND2-O 3.45Å; N391-L425 HydrophobicContact CB-CD2 3.71Å; N391-L425 HydrophobicContact CB-CG 3.76Å; N391-L425 PolarHBondContact ND2-O 2.94Å; N391-A426 WeakPolarHBondContact CB-O 3.33Å; N391-A426 PolarHBondContact ND2-O 3.17Å; N391-Q428 WeakPolarHBondContact O-CA 3.41Å; N391-Q428 PolarHBondContact O-N 3.09Å; N391-H429 PolarHBondContact N-O 3.17Å |
| 392 | Q | 91.1 | Very high | 86.1 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -81 | -3.3 | 177 | -50.3 | -166.8 | -56.2 | 0 | 0 | 113.2 | C374 K376 L390 Q428 | C374-Q392 WeakPolarHBondContact O-CA 3.31Å; C374-Q392 VanDerWaalsContact O-CB 3.27Å; C374-Q392 WeakPolarHBondContact O-CB 3.34Å; C374-Q392 WeakPolarHBondContact O-CG 3.46Å; C374-Q392 PolarHBondContact O-N 3.14Å; K376-Q392 HydrophobicContact CB-CG 3.97Å; L390-Q392 HydrophobicContact CD2-CG 4.16Å; L390-Q392 HydrophobicContact CG-CG 4.25Å; L390-Q392 PolarHBondContact O-N 2.66Å; Q392-Q428 PolarHBondContact O-NE2 3.18Å | ||
| 393 | S | 88.1 | Confident | 87 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | trans | -61.8 | 146.2 | 175 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | N391 A395 E396 P427 Q428 | N391-S393 VanDerWaalsContact C-N 3.28Å; N391-S393 WeakPolarHBondContact OD1-CA 3.5Å; N391-S393 WeakPolarHBondContact OD1-CB 3.32Å; N391-S393 PolarHBondContact OD1-N 3.09Å; S393-A395 PolarHBondContact OG-N 3.15Å; S393-E396 VanDerWaalsContact OG-CB 3.24Å; S393-E396 WeakPolarHBondContact OG-CB 3.41Å; S393-E396 PolarHBondContact OG-N 2.96Å; S393-P427 WeakPolarHBondContact O-CA 3.34Å; S393-P427 VanDerWaalsContact O-CB 3.27Å; S393-P427 WeakPolarHBondContact O-CB 3.4Å; S393-Q428 PolarHBondContact O-N 3.37Å; S393-Q428 VanDerWaalsContact O-N 3.14Å; S393-Q428 PolarHBondContact O-NE2 2.97Å | ||
| 394 | Q | 83.3 | Confident | 88.1 | Confident | 178 Ų | 178 | 53.6 Ų | 53.6 | 83% | 0.832 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -89.3 | -20.5 | 175.3 | -63.4 | -177.4 | 13.5 | 0 | 0 | 112.3 | ||
| 395 | A | 82.9 | Confident | 89.2 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 74% | 0.744 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -139.1 | -21.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S393 P427 | S393-A395 PolarHBondContact OG-N 3.15Å; A395-P427 WeakPolarHBondContact O-CG 3.42Å |
| 396 | E | 90.4 | Very high | 89.7 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 125.8 | -172.8 | -168.8 | -178.5 | -172.4 | 0 | 0 | 112.7 | N391 S393 | N391-E396 PolarHBondContact ND2-O 3.45Å; S393-E396 VanDerWaalsContact OG-CB 3.24Å; S393-E396 WeakPolarHBondContact OG-CB 3.41Å; S393-E396 PolarHBondContact OG-N 2.96Å |
| 397 | T | 90.2 | Very high | 89.8 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -83.8 | 127.1 | 167.6 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | L424 L425 | T397-L424 HydrophobicContact CG2-CB 4.03Å; T397-L425 WeakPolarHBondContact CA-O 3.38Å |
| 398 | V | 90.6 | Very high | 89.5 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.3 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | C374 L375 L400 F403 L425 | C374-V398 WeakPolarHBondContact SG-CG2 3.38Å; L375-V398 HydrophobicContact CD1-CG1 3.8Å; L375-V398 HydrophobicContact CD2-CB 4.17Å; L375-V398 HydrophobicContact CD2-CG1 4.33Å; L375-V398 HydrophobicContact CD2-CG2 4.18Å; L375-V398 HydrophobicContact CG-CG1 4.23Å; L375-V398 HydrophobicContact CG-CG2 4.4Å; V398-L400 HydrophobicContact CG1-CD2 4.38Å; V398-F403 HydrophobicContact CG1-CZ 4.48Å; V398-L425 PolarHBondContact N-O 3.41Å; V398-L425 PolarHBondContact O-N 3.33Å |
| 399 | D | 91.4 | Very high | 88.9 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116.1 | 167.3 | -173.8 | 13.7 | 0 | 0 | 0 | 109.7 | G401 F403 T423 L424 | D399-G401 VanDerWaalsContact C-N 3.27Å; D399-G401 WeakPolarHBondContact OD1-CA 3.19Å; D399-G401 PolarHBondContact OD1-N 2.85Å; D399-F403 WeakPolarHBondContact O-CE1 3.44Å; D399-F403 WeakPolarHBondContact O-CZ 3.28Å; D399-T423 PolarHBondContact OD1-N 2.91Å; D399-L424 HydrophobicContact CB-CD2 3.78Å |
| 400 | L | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -84.9 | -1.7 | 174.2 | -59.8 | 177.4 | 0 | 0 | 0 | 111.9 | L375 V398 G402 F403 F419 T423 L425 I431 | L375-L400 HydrophobicContact CD1-CD2 3.38Å; L375-L400 HydrophobicContact CD2-CD2 4.11Å; L375-L400 HydrophobicContact CG-CD2 4.39Å; V398-L400 HydrophobicContact CG1-CD2 4.38Å; L400-G402 PolarHBondContact O-N 2.86Å; L400-F403 HydrophobicContact CD2-CD2 3.96Å; L400-F403 HydrophobicContact CD2-CE2 4.12Å; L400-F403 HydrophobicContact CD2-CG 4.49Å; L400-F403 WeakPolarHBondContact O-CB 3.49Å; L400-F403 VanDerWaalsContact O-CD1 3.26Å; L400-F403 WeakPolarHBondContact O-CD1 3.46Å; L400-F403 WeakPolarHBondContact O-CG 3.36Å; L400-F403 PolarHBondContact O-N 3.18Å; L400-F419 HydrophobicContact CB-CB 4.21Å; L400-F419 HydrophobicContact CB-CD1 4.17Å; L400-F419 HydrophobicContact CB-CD2 4.43Å; L400-F419 HydrophobicContact CB-CG 4Å; L400-F419 HydrophobicContact CD1-CD1 4.28Å; L400-F419 HydrophobicContact CD1-CE1 4.16Å; L400-F419 WeakPolarHBondContact O-CB 3.15Å; L400-T423 HydrophobicContact CB-CG2 4.1Å; L400-T423 WeakPolarHBondContact CB-O 3.35Å; L400-T423 HydrophobicContact CD1-CG2 4.25Å; L400-T423 PolarHBondContact N-O 2.99Å; L400-L425 HydrophobicContact CD1-CB 3.97Å; L400-L425 HydrophobicContact CD1-CD2 4Å; L400-L425 HydrophobicContact CG-CB 4.22Å; L400-I431 HydrophobicContact CD1-CG2 3.86Å | ||
| 401 | G | 89.9 | Confident | 87.2 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 120.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D399 F403 P420 | D399-G401 VanDerWaalsContact C-N 3.27Å; D399-G401 WeakPolarHBondContact OD1-CA 3.19Å; D399-G401 PolarHBondContact OD1-N 2.85Å; G401-F403 PolarHBondContact O-N 2.9Å; G401-P420 WeakPolarHBondContact CA-O 3.35Å |
| 402 | G | 85.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -1.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L400 F419 | L400-G402 PolarHBondContact O-N 2.86Å; G402-F419 PolarHBondContact N-O 3.41Å; G402-F419 VanDerWaalsContact N-O 3.09Å |
| 403 | F | 91.6 | Very high | 85.5 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | trans | -66.4 | 153 | 171.4 | -71.8 | 41.2 | 0 | 0 | 0 | 108.9 | L375 V398 D399 L400 G401 R418 F419 L466 V467 N468 P469 L474 | L375-F403 HydrophobicContact CD1-CD2 4.27Å; L375-F403 HydrophobicContact CD1-CE2 3.7Å; V398-F403 HydrophobicContact CG1-CZ 4.48Å; D399-F403 WeakPolarHBondContact O-CE1 3.44Å; D399-F403 WeakPolarHBondContact O-CZ 3.28Å; L400-F403 HydrophobicContact CD2-CD2 3.96Å; L400-F403 HydrophobicContact CD2-CE2 4.12Å; L400-F403 HydrophobicContact CD2-CG 4.49Å; L400-F403 WeakPolarHBondContact O-CB 3.49Å; L400-F403 VanDerWaalsContact O-CD1 3.26Å; L400-F403 WeakPolarHBondContact O-CD1 3.46Å; L400-F403 WeakPolarHBondContact O-CG 3.36Å; L400-F403 PolarHBondContact O-N 3.18Å; G401-F403 PolarHBondContact O-N 2.9Å; F403-R418 WeakPolarHBondContact O-CA 3.1Å; F403-F419 HydrophobicContact CB-CD2 3.81Å; F403-F419 WeakPolarHBondContact O-CD2 3.41Å; F403-F419 PolarHBondContact O-N 3.38Å; F403-L466 HydrophobicContact CB-CD1 4.35Å; F403-L466 HydrophobicContact CD2-CD1 4.43Å; F403-V467 CarbonylContact C-O 3.6Å; F403-V467 WeakPolarHBondContact CA-O 3.5Å; F403-N468 HydrophobicContact CE2-CB 4.36Å; F403-N468 HydrophobicContact CZ-CB 4.33Å; F403-P469 VanDerWaalsContact CD1-CD 3.48Å; F403-P469 HydrophobicContact CD1-CG 3.94Å; F403-P469 HydrophobicContact CE1-CG 4.19Å; F403-L474 HydrophobicContact CD2-CD1 3.75Å; F403-L474 HydrophobicContact CE2-CD1 3.21Å; F403-L474 HydrophobicContact CZ-CD1 4.11Å | ||
| 404 | V | 91.4 | Very high | 84.9 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.7 | -178.3 | -173 | 0 | 0 | 0 | 0 | 109.9 | R406 M416 Y417 R418 V467 | V404-R406 HydrophobicContact CG1-CG 3.78Å; V404-M416 HydrophobicContact CG1-CB 4.21Å; V404-Y417 CarbonylContact C-O 3.56Å; V404-Y417 WeakPolarHBondContact CA-O 3.4Å; V404-R418 HydrophobicContact CG2-CB 4.42Å; V404-R418 HydrophobicContact CG2-CG 4.2Å; V404-V467 PolarHBondContact N-O 3.45Å; V404-V467 PolarHBondContact O-N 2.87Å |
| 405 | L | 91.3 | Very high | 84.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.6 | 166.6 | -167.5 | 68.9 | 0 | 0 | 0 | 108.2 | I377 I387 I389 M416 Y417 F419 F456 T464 M465 L466 | I377-L405 HydrophobicContact CD1-CD1 4.33Å; I387-L405 HydrophobicContact CB-CD2 3.94Å; I387-L405 HydrophobicContact CD1-CD2 3.46Å; I387-L405 VanDerWaalsContact CD1-CD2 3.46Å; I387-L405 HydrophobicContact CD1-CG 4.22Å; I387-L405 HydrophobicContact CG1-CD2 4.28Å; I387-L405 HydrophobicContact CG2-CD1 4.21Å; I387-L405 HydrophobicContact CG2-CD2 3.84Å; I389-L405 HydrophobicContact CD1-CD1 4.35Å; L405-M416 CarbonylContact O-C 3.57Å; L405-M416 VanDerWaalsContact O-CA 3.22Å; L405-M416 WeakPolarHBondContact O-CA 3.41Å; L405-Y417 PolarHBondContact N-O 2.89Å; L405-Y417 PolarHBondContact O-N 3.44Å; L405-F419 HydrophobicContact CB-CE2 4.48Å; L405-F456 HydrophobicContact CD2-CE1 4.24Å; L405-F456 HydrophobicContact CD2-CZ 4.36Å; L405-T464 HydrophobicContact CD1-CG2 3.69Å; L405-T464 HydrophobicContact CG-CG2 4.07Å; L405-M465 CarbonylContact C-O 3.54Å; L405-M465 WeakPolarHBondContact CA-O 3.45Å; L405-L466 HydrophobicContact CD1-CB 4.45Å; L405-L466 HydrophobicContact CD1-CD1 4.38Å |
| 406 | R | 90 | Very high | 84.9 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 33% | 0.328 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.8 | -179.2 | -60 | -174.8 | -177 | 170.9 | -0.1 | 109.9 | V404 F408 C415 M416 T464 M465 V467 | V404-R406 HydrophobicContact CG1-CG 3.78Å; R406-F408 HydrophobicContact CB-CD2 4.3Å; R406-F408 HydrophobicContact CB-CE2 3.5Å; R406-F408 HydrophobicContact CB-CZ 3.98Å; R406-C415 CarbonylContact C-O 3.55Å; R406-C415 WeakPolarHBondContact CA-O 3.38Å; R406-M416 HydrophobicContact CG-CG 4.3Å; R406-T464 CarbonylContact O-C 3.56Å; R406-T464 WeakPolarHBondContact O-CA 3.22Å; R406-M465 PolarHBondContact N-O 3.31Å; R406-M465 PolarHBondContact O-N 3.46Å; R406-V467 HydrophobicContact CG-CG2 4.3Å |
| 407 | Q | 87.8 | Confident | 84.8 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.8 | 176.6 | -166 | 175.5 | 25.4 | 0 | 0 | 108.8 | V414 C415 Q457 C462 V463 | Q407-V414 PolarHBondContact O-N 3.46Å; Q407-C415 HydrophobicContact CB-CB 3.94Å; Q407-C415 PolarHBondContact N-O 3.37Å; Q407-C415 PolarHBondContact O-N 2.82Å; Q407-Q457 PolarHBondContact NE2-O 3.49Å; Q407-Q457 VanDerWaalsContact OE1-N 3.12Å; Q407-C462 WeakPolarHBondContact CG-SG 3.45Å; Q407-C462 PolarHBondContact NE2-SG 3.3Å; Q407-V463 CarbonylContact C-O 3.56Å; Q407-V463 WeakPolarHBondContact CA-O 3.27Å |
| 408 | F | 82.8 | Confident | 85 | Confident | 42 Ų | 42 | 62 Ų | 62 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.3 | -179.4 | -62.2 | -92.3 | 0 | 0 | 0 | 111.1 | R406 F412 P413 C462 V463 M465 | R406-F408 HydrophobicContact CB-CD2 4.3Å; R406-F408 HydrophobicContact CB-CE2 3.5Å; R406-F408 HydrophobicContact CB-CZ 3.98Å; F408-F412 CarbonylContact C-O 3.56Å; F408-F412 WeakPolarHBondContact CA-O 3.28Å; F408-P413 HydrophobicContact CD1-CB 3.99Å; F408-P413 HydrophobicContact CE1-CB 3.7Å; F408-P413 HydrophobicContact CE1-CG 4.32Å; F408-P413 HydrophobicContact CZ-CB 4.45Å; F408-C462 VanDerWaalsContact O-CA 3.3Å; F408-C462 WeakPolarHBondContact O-CA 3.09Å; F408-C462 PolarHBondContact O-SG 3.46Å; F408-V463 PolarHBondContact N-O 2.91Å; F408-V463 PolarHBondContact O-N 3.41Å; F408-M465 HydrophobicContact CD2-CG 4.41Å; F408-M465 HydrophobicContact CD2-SD 3.95Å; F408-M465 HydrophobicContact CE2-CG 4.37Å; F408-M465 HydrophobicContact CE2-SD 3.72Å |
| 409 | V | 78.8 | Confident | 85 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117.7 | 170.6 | 180 | 0 | 0 | 0 | 0 | 107.2 | D411 F412 V414 S459 C462 | V409-D411 PolarHBondContact O-N 3.42Å; V409-F412 PolarHBondContact N-O 2.95Å; V409-F412 PolarHBondContact O-N 3.44Å; V409-F412 VanDerWaalsContact O-N 3.1Å; V409-V414 HydrophobicContact CB-CG2 3.7Å; V409-V414 HydrophobicContact CG2-CB 4.26Å; V409-V414 HydrophobicContact CG2-CG2 3.56Å; V409-S459 WeakPolarHBondContact CG1-OG 3.46Å; V409-S459 WeakPolarHBondContact CG2-OG 3.39Å; V409-C462 HydrophobicContact CG2-CB 4.29Å |
| 410 | K | 74.9 | Confident | 85 | Confident | 173 Ų | 173 | 60.8 Ų | 60.8 | 75% | 0.752 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 47.5 | -175.1 | -57.3 | 179.7 | 178.6 | -177.5 | 0 | 111.9 | F412 | K410-F412 WeakPolarHBondContact O-CD2 3.29Å; K410-F412 WeakPolarHBondContact O-CE2 3.09Å; K410-F412 PolarHBondContact O-N 3.49Å; K410-F412 VanDerWaalsContact O-N 3.17Å |
| 411 | D | 74.6 | Confident | 84.9 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 79% | 0.791 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 2.1 | 179.3 | -49 | -46.7 | 0 | 0 | 0 | 117.1 | V409 | V409-D411 PolarHBondContact O-N 3.42Š|
| 412 | F | 73.1 | Confident | 84.7 | Confident | 149 Ų | 149 | 68.5 Ų | 68.5 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.8 | 172 | -64.2 | -82 | 0 | 0 | 0 | 111.3 | F408 V409 K410 V414 | F408-F412 CarbonylContact C-O 3.56Å; F408-F412 WeakPolarHBondContact CA-O 3.28Å; V409-F412 PolarHBondContact N-O 2.95Å; V409-F412 PolarHBondContact O-N 3.44Å; V409-F412 VanDerWaalsContact O-N 3.1Å; K410-F412 WeakPolarHBondContact O-CD2 3.29Å; K410-F412 WeakPolarHBondContact O-CE2 3.09Å; K410-F412 PolarHBondContact O-N 3.49Å; K410-F412 VanDerWaalsContact O-N 3.17Å; F412-V414 WeakPolarHBondContact O-CG2 3.34Å; F412-V414 PolarHBondContact O-N 2.92Å |
| 413 | P | 76.4 | Confident | 85 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.8 | 174.6 | 27.9 | -31.9 | 0 | 0 | 0 | 109.8 | F408 | F408-P413 HydrophobicContact CD1-CB 3.99Å; F408-P413 HydrophobicContact CE1-CB 3.7Å; F408-P413 HydrophobicContact CE1-CG 4.32Å; F408-P413 HydrophobicContact CZ-CB 4.45Å |
| 414 | V | 75.4 | Confident | 85 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -30.7 | -175.5 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | Q407 V409 F412 Q457 | Q407-V414 PolarHBondContact O-N 3.46Å; V409-V414 HydrophobicContact CB-CG2 3.7Å; V409-V414 HydrophobicContact CG2-CB 4.26Å; V409-V414 HydrophobicContact CG2-CG2 3.56Å; F412-V414 WeakPolarHBondContact O-CG2 3.34Å; F412-V414 PolarHBondContact O-N 2.92Å; V414-Q457 HydrophobicContact CG1-CB 4.22Å; V414-Q457 HydrophobicContact CG1-CG 3.72Å |
| 415 | C | 80.6 | Confident | 85 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 140.4 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | R406 Q407 | R406-C415 CarbonylContact C-O 3.55Å; R406-C415 WeakPolarHBondContact CA-O 3.38Å; Q407-C415 HydrophobicContact CB-CB 3.94Å; Q407-C415 PolarHBondContact N-O 3.37Å; Q407-C415 PolarHBondContact O-N 2.82Å |
| 416 | M | 86.6 | Confident | 85 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.3 | 172 | -61.2 | -170.4 | -61.4 | 0 | 0 | 108.8 | V404 L405 R406 F454 | V404-M416 HydrophobicContact CG1-CB 4.21Å; L405-M416 CarbonylContact O-C 3.57Å; L405-M416 VanDerWaalsContact O-CA 3.22Å; L405-M416 WeakPolarHBondContact O-CA 3.41Å; R406-M416 HydrophobicContact CG-CG 4.3Å; M416-F454 WeakPolarHBondContact O-CE1 3.44Å |
| 417 | Y | 88.4 | Confident | 85 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.2 | 173 | 172.2 | -95.8 | 0 | 0 | 0 | 109.2 | V404 L405 F419 V433 F454 | V404-Y417 CarbonylContact C-O 3.56Å; V404-Y417 WeakPolarHBondContact CA-O 3.4Å; L405-Y417 PolarHBondContact N-O 2.89Å; L405-Y417 PolarHBondContact O-N 3.44Å; Y417-F419 HydrophobicContact CD1-CD2 4.42Å; Y417-F419 HydrophobicContact CD1-CE1 4.36Å; Y417-F419 HydrophobicContact CD1-CE2 4.19Å; Y417-F419 HydrophobicContact CD1-CZ 4.13Å; Y417-F419 AromaticContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD2 4.34Å; Y417-F419 AromaticContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE2 4.28Å; Y417-F419 HydrophobicContact CE1-CG 4.07Å; Y417-F419 AromaticContact CE1-CZ 3.94Å; Y417-F419 HydrophobicContact CE1-CZ 3.94Å; Y417-V433 HydrophobicContact CD1-CG1 3.77Å; Y417-V433 HydrophobicContact CD1-CG2 4.09Å; Y417-V433 HydrophobicContact CD2-CG1 4.05Å; Y417-V433 HydrophobicContact CE1-CG1 3.81Å; Y417-V433 HydrophobicContact CE1-CG2 3.86Å; Y417-V433 HydrophobicContact CE2-CG1 4.09Å; Y417-V433 HydrophobicContact CG-CG1 3.88Å; Y417-F454 HydrophobicContact CD2-CE1 4.5Å; Y417-F454 HydrophobicContact CD2-CZ 4.49Å |
| 418 | R | 92.5 | Very high | 85.1 | Confident | 182 Ų | 182 | 76.3 Ų | 76.3 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.8 | 178.3 | -171.6 | 174.6 | -174.8 | -169.3 | -1.6 | 109.6 | F403 V404 | F403-R418 WeakPolarHBondContact O-CA 3.1Å; V404-R418 HydrophobicContact CG2-CB 4.42Å; V404-R418 HydrophobicContact CG2-CG 4.2Å |
| 419 | F | 92.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 1% | 0.013 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -70 | 132.5 | 176.6 | -74.9 | -82.6 | 0 | 0 | 0 | 110.8 | I389 L400 G402 F403 L405 Y417 T423 I431 V433 L466 | I389-F419 HydrophobicContact CD1-CE1 4.49Å; I389-F419 HydrophobicContact CD1-CE2 3.95Å; I389-F419 HydrophobicContact CD1-CZ 3.46Å; I389-F419 VanDerWaalsContact CD1-CZ 3.46Å; L400-F419 HydrophobicContact CB-CB 4.21Å; L400-F419 HydrophobicContact CB-CD1 4.17Å; L400-F419 HydrophobicContact CB-CD2 4.43Å; L400-F419 HydrophobicContact CB-CG 4Å; L400-F419 HydrophobicContact CD1-CD1 4.28Å; L400-F419 HydrophobicContact CD1-CE1 4.16Å; L400-F419 WeakPolarHBondContact O-CB 3.15Å; G402-F419 PolarHBondContact N-O 3.41Å; G402-F419 VanDerWaalsContact N-O 3.09Å; F403-F419 HydrophobicContact CB-CD2 3.81Å; F403-F419 WeakPolarHBondContact O-CD2 3.41Å; F403-F419 PolarHBondContact O-N 3.38Å; L405-F419 HydrophobicContact CB-CE2 4.48Å; Y417-F419 HydrophobicContact CD1-CD2 4.42Å; Y417-F419 HydrophobicContact CD1-CE1 4.36Å; Y417-F419 HydrophobicContact CD1-CE2 4.19Å; Y417-F419 HydrophobicContact CD1-CZ 4.13Å; Y417-F419 AromaticContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD2 4.34Å; Y417-F419 AromaticContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE2 4.28Å; Y417-F419 HydrophobicContact CE1-CG 4.07Å; Y417-F419 AromaticContact CE1-CZ 3.94Å; Y417-F419 HydrophobicContact CE1-CZ 3.94Å; F419-T423 HydrophobicContact CD1-CG2 4.07Å; F419-I431 HydrophobicContact CE1-CD1 4.15Å; F419-I431 HydrophobicContact CE1-CG2 4.34Å; F419-V433 HydrophobicContact CE1-CG2 3.9Å; F419-V433 HydrophobicContact CZ-CG2 3.8Å; F419-L466 HydrophobicContact CE2-CD1 3.92Å |
| 420 | P | 89.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 148.4 | 173.5 | -24.2 | 33.9 | 0 | 0 | 0 | 111.8 | G401 T423 | G401-P420 WeakPolarHBondContact CA-O 3.35Å; P420-T423 WeakPolarHBondContact O-CB 3.22Å; P420-T423 PolarHBondContact O-N 3.02Å; P420-T423 PolarHBondContact O-OG1 2.8Å |
| 421 | P | 88.6 | Confident | 87.1 | Confident | 123 Ų | 123 | 77.4 Ų | 77.4 | 80% | 0.799 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 143.7 | 173.6 | 26.4 | -34 | 0 | 0 | 0 | 110.9 | ||
| 422 | G | 85.6 | Confident | 88 | Confident | 57 Ų | 57 | 72 Ų | 72 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 16.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L424 | G422-L424 PolarHBondContact O-N 3.18Š|
| 423 | T | 91.4 | Very high | 88.7 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | trans | -78.2 | 85.5 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 110 | D399 L400 F419 P420 I431 | D399-T423 PolarHBondContact OD1-N 2.91Å; L400-T423 HydrophobicContact CB-CG2 4.1Å; L400-T423 WeakPolarHBondContact CB-O 3.35Å; L400-T423 HydrophobicContact CD1-CG2 4.25Å; L400-T423 PolarHBondContact N-O 2.99Å; F419-T423 HydrophobicContact CD1-CG2 4.07Å; P420-T423 WeakPolarHBondContact O-CB 3.22Å; P420-T423 PolarHBondContact O-N 3.02Å; P420-T423 PolarHBondContact O-OG1 2.8Å; T423-I431 HydrophobicContact CG2-CD1 3.75Å | ||
| 424 | L | 92.4 | Very high | 89.1 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.8 | 179.7 | -59.2 | 179 | 0 | 0 | 0 | 111.6 | T397 D399 G422 | T397-L424 HydrophobicContact CG2-CB 4.03Å; D399-L424 HydrophobicContact CB-CD2 3.78Å; G422-L424 PolarHBondContact O-N 3.18Å |
| 425 | L | 91.6 | Very high | 89.2 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.9 | 175.5 | -172.6 | 61.6 | 0 | 0 | 0 | 110.7 | L375 N391 T397 V398 L400 H429 I431 | L375-L425 HydrophobicContact CD2-CD2 3.97Å; N391-L425 HydrophobicContact CB-CD2 3.71Å; N391-L425 HydrophobicContact CB-CG 3.76Å; N391-L425 PolarHBondContact ND2-O 2.94Å; T397-L425 WeakPolarHBondContact CA-O 3.38Å; V398-L425 PolarHBondContact N-O 3.41Å; V398-L425 PolarHBondContact O-N 3.33Å; L400-L425 HydrophobicContact CD1-CB 3.97Å; L400-L425 HydrophobicContact CD1-CD2 4Å; L400-L425 HydrophobicContact CG-CB 4.22Å; L425-H429 HydrophobicContact CD1-CB 4Å; L425-I431 HydrophobicContact CD1-CB 4.22Å; L425-I431 HydrophobicContact CD1-CG2 4.5Å; L425-I431 HydrophobicContact CD2-CG2 4.22Å |
| 426 | A | 91.5 | Very high | 88.5 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | trans | -61.7 | 159.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | N391 H429 | N391-A426 WeakPolarHBondContact CB-O 3.33Å; N391-A426 PolarHBondContact ND2-O 3.17Å; A426-H429 HydrophobicContact CB-CB 4.23Å; A426-H429 WeakPolarHBondContact O-CB 3.36Å; A426-H429 PolarHBondContact O-N 2.61Å; A426-H429 VanDerWaalsContact O-N 3.17Å | ||
| 427 | P | 90.1 | Very high | 86.9 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 140.3 | 177.5 | -17.3 | 27.4 | 0 | 0 | 0 | 111.2 | S393 A395 H429 | S393-P427 WeakPolarHBondContact O-CA 3.34Å; S393-P427 VanDerWaalsContact O-CB 3.27Å; S393-P427 WeakPolarHBondContact O-CB 3.4Å; A395-P427 WeakPolarHBondContact O-CG 3.42Å; P427-H429 PolarHBondContact O-N 2.75Å; P427-H429 PolarHBondContact O-ND1 2.82Å |
| 428 | Q | 90.5 | Very high | 85.2 | Confident | 108 Ų | 108 | 67.9 Ų | 67.9 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 9.3 | -177.4 | -55 | -60.4 | -37 | 0 | 0 | 115.8 | N391 Q392 S393 | N391-Q428 WeakPolarHBondContact O-CA 3.41Å; N391-Q428 PolarHBondContact O-N 3.09Å; Q392-Q428 PolarHBondContact O-NE2 3.18Å; S393-Q428 PolarHBondContact O-N 3.37Å; S393-Q428 VanDerWaalsContact O-N 3.14Å; S393-Q428 PolarHBondContact O-NE2 2.97Å |
| 429 | H | 91.6 | Very high | 82.7 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | trans | -97.3 | 158.2 | 177.6 | -70.6 | 68.3 | 0 | 0 | 0 | 111.6 | N391 L425 A426 P427 | N391-H429 PolarHBondContact N-O 3.17Å; L425-H429 HydrophobicContact CD1-CB 4Å; A426-H429 HydrophobicContact CB-CB 4.23Å; A426-H429 WeakPolarHBondContact O-CB 3.36Å; A426-H429 PolarHBondContact O-N 2.61Å; A426-H429 VanDerWaalsContact O-N 3.17Å; P427-H429 PolarHBondContact O-N 2.75Å; P427-H429 PolarHBondContact O-ND1 2.82Å | ||
| 430 | H | 94.1 | Very high | 80.4 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.2 | 176.4 | 69.2 | -86.4 | 0 | 0 | 0 | 111.8 | R388 I389 L390 | R388-H430 VanDerWaalsContact CD-CD2 3.43Å; R388-H430 WeakPolarHBondContact CD-CD2 3.46Å; R388-H430 HydrophobicContact CG-CB 3.96Å; I389-H430 CarbonylContact O-C 3.54Å; I389-H430 WeakPolarHBondContact O-CA 3.27Å; I389-H430 VanDerWaalsContact O-CB 3.3Å; I389-H430 WeakPolarHBondContact O-CB 3.39Å; L390-H430 HydrophobicContact CD1-CB 4.19Å |
| 431 | I | 92.5 | Very high | 78 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.9 | 167.3 | -170.2 | 164.7 | 0 | 0 | 0 | 108.7 | R388 I389 L400 F419 T423 L425 | R388-I431 CarbonylContact C-O 3.6Å; R388-I431 WeakPolarHBondContact CA-O 3.22Å; I389-I431 HydrophobicContact CB-CG2 3.95Å; I389-I431 PolarHBondContact N-O 3.35Å; I389-I431 PolarHBondContact O-N 3.26Å; L400-I431 HydrophobicContact CD1-CG2 3.86Å; F419-I431 HydrophobicContact CE1-CD1 4.15Å; F419-I431 HydrophobicContact CE1-CG2 4.34Å; T423-I431 HydrophobicContact CG2-CD1 3.75Å; L425-I431 HydrophobicContact CD1-CB 4.22Å; L425-I431 HydrophobicContact CD1-CG2 4.5Å; L425-I431 HydrophobicContact CD2-CG2 4.22Å |
| 432 | T | 92.2 | Very high | 75.7 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 22% | 0.221 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.7 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | F386 I387 W434 | F386-T432 HydrophobicContact CB-CG2 3.72Å; F386-T432 HydrophobicContact CD2-CG2 3.64Å; F386-T432 HydrophobicContact CG-CG2 3.86Å; I387-T432 CarbonylContact O-C 3.51Å; I387-T432 WeakPolarHBondContact O-CA 3.48Å; T432-W434 HydrophobicContact CG2-CD2 4.05Å; T432-W434 VanDerWaalsContact CG2-CE2 3.48Å; T432-W434 HydrophobicContact CG2-CG 4.4Å; T432-W434 HydrophobicContact CG2-CH2 4.45Å; T432-W434 HydrophobicContact CG2-CZ2 3.72Å |
| 433 | V | 89.1 | Confident | 73.3 | Confident | 10 Ų | 10 | 90 Ų | 90 | 6% | 0.061 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.6 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 107.6 | F386 I387 Y417 F419 F456 | F386-V433 CarbonylContact C-O 3.54Å; F386-V433 VanDerWaalsContact CA-O 3.25Å; F386-V433 WeakPolarHBondContact CA-O 3.4Å; I387-V433 PolarHBondContact N-O 3.3Å; I387-V433 PolarHBondContact O-N 3.42Å; Y417-V433 HydrophobicContact CD1-CG1 3.77Å; Y417-V433 HydrophobicContact CD1-CG2 4.09Å; Y417-V433 HydrophobicContact CD2-CG1 4.05Å; Y417-V433 HydrophobicContact CE1-CG1 3.81Å; Y417-V433 HydrophobicContact CE1-CG2 3.86Å; Y417-V433 HydrophobicContact CE2-CG1 4.09Å; Y417-V433 HydrophobicContact CG-CG1 3.88Å; F419-V433 HydrophobicContact CE1-CG2 3.9Å; F419-V433 HydrophobicContact CZ-CG2 3.8Å; V433-F456 HydrophobicContact CB-CE2 4.48Å; V433-F456 HydrophobicContact CB-CZ 4.24Å; V433-F456 HydrophobicContact CG1-CE2 4.02Å; V433-F456 HydrophobicContact CG1-CZ 3.66Å |
| 434 | W | 84.3 | Confident | 70.6 | Confident | 141 Ų | 141 | 96.7 Ų | 96.7 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.7 | -179.9 | -62.2 | 91.9 | 0 | 0 | 0 | 110 | F386 T432 A438 | F386-W434 HydrophobicContact CB-CD2 3.93Å; F386-W434 HydrophobicContact CB-CE3 3.51Å; F386-W434 HydrophobicContact CB-CH2 4.3Å; F386-W434 HydrophobicContact CB-CZ3 3.72Å; F386-W434 HydrophobicContact CD1-CE3 4.23Å; F386-W434 AromaticContact CD1-CH2 3.82Å; F386-W434 HydrophobicContact CD1-CH2 3.82Å; F386-W434 AromaticContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CE1-CH2 4.46Å; F386-W434 HydrophobicContact CE1-CZ3 4.48Å; F386-W434 HydrophobicContact CG-CE3 4.24Å; F386-W434 HydrophobicContact CG-CH2 4.18Å; F386-W434 AromaticContact CG-CZ3 3.92Å; F386-W434 HydrophobicContact CG-CZ3 3.92Å; T432-W434 HydrophobicContact CG2-CD2 4.05Å; T432-W434 VanDerWaalsContact CG2-CE2 3.48Å; T432-W434 HydrophobicContact CG2-CG 4.4Å; T432-W434 HydrophobicContact CG2-CH2 4.45Å; T432-W434 HydrophobicContact CG2-CZ2 3.72Å; W434-A438 HydrophobicContact CE3-CB 3.76Å; W434-A438 HydrophobicContact CZ3-CB 4.47Å |
| 435 | G | 76.4 | Confident | 67.8 | Low | 6 Ų | 6 | 98.1 Ų | 98.1 | 6% | 0.062 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 164.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R385 A438 F456 | R385-G435 PolarHBondContact O-N 2.84Å; G435-A438 WeakPolarHBondContact O-CB 3.36Å; G435-A438 PolarHBondContact O-N 2.97Å; G435-F456 VanDerWaalsContact CA-CD2 3.5Å |
| 436 | E | 66.6 | Low | 65.1 | Low | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 136 | -179.5 | -163.4 | 148.8 | 151 | 0 | 0 | 112.5 | P453 F454 | E436-P453 VanDerWaalsContact OE1-CB 3.31Å; E436-P453 WeakPolarHBondContact OE1-CB 3.34Å; E436-P453 WeakPolarHBondContact OE2-CA 3.26Å; E436-P453 WeakPolarHBondContact OE2-CB 3.46Å; E436-F454 WeakPolarHBondContact CB-O 3.05Å; E436-F454 PolarHBondContact N-O 3.04Å |
| 437 | G | 53.8 | Low | 62.3 | Low | 70 Ų | 70 | 107 Ų | 107 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.1 | 0.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | S439 | G437-S439 VanDerWaalsContact C-N 3.33Å; G437-S439 PolarHBondContact O-N 3.06Å |
| 438 | A | 53.2 | Low | 59.7 | Low | 39 Ų | 39 | 111.2 Ų | 111.2 | 32% | 0.322 | 58% | 0.583 | S | S | . | * | trans | -80.1 | 72.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W434 G435 | W434-A438 HydrophobicContact CE3-CB 3.76Å; W434-A438 HydrophobicContact CZ3-CB 4.47Å; G435-A438 WeakPolarHBondContact O-CB 3.36Å; G435-A438 PolarHBondContact O-N 2.97Å | ||
| 439 | S | 38.3 | Very low | 57.2 | Low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | trans | -94.5 | 112.3 | 177.6 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | G437 | G437-S439 VanDerWaalsContact C-N 3.33Å; G437-S439 PolarHBondContact O-N 3.06Å | ||
| 440 | R | 45.3 | Very low | 54.4 | Low | 234 Ų | 234 | 108.6 Ų | 108.6 | 88% | 0.883 | 61% | 0.605 | S | S | * | * | S | Bend | 172.1 | 124.4 | 128 | -94.4 | 165.4 | 170.9 | -128 | -3.2 | 109.1 | |||
| 441 | T | 39.1 | Very low | 51.7 | Low | 138 Ų | 138 | 110 Ų | 110 | 85% | 0.847 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 88.7 | 59.8 | 172.5 | 76 | 0 | 0 | 0 | 0 | 118.3 | ||
| 442 | K | 40.4 | Very low | 49.1 | Very low | 206 Ų | 206 | 114.6 Ų | 114.6 | 90% | 0.896 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -163.8 | 138.6 | 136.5 | -110.2 | 164.2 | -175 | -177.8 | 0 | 109.9 | H444 | K442-H444 PolarHBondContact O-N 3.46Š|
| 443 | K | 35.7 | Very low | 46.9 | Very low | 211 Ų | 211 | 116.1 Ų | 116.1 | 92% | 0.917 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 125.9 | -178.7 | -64.8 | -179.4 | 177.9 | -177 | 0 | 109 | L445 | K443-L445 PolarHBondContact O-N 3.44Š|
| 444 | H | 34.6 | Very low | 45.3 | Very low | 166 Ų | 166 | 118.8 Ų | 118.8 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.8 | 176.8 | -139.2 | -87.1 | 0 | 0 | 0 | 109.1 | K442 | K442-H444 PolarHBondContact O-N 3.46Š|
| 445 | L | 33.5 | Very low | 44 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.7 | 154.1 | -143 | 74.5 | 0 | 0 | 0 | 106.5 | K443 V447 | K443-L445 PolarHBondContact O-N 3.44Å; L445-V447 PolarHBondContact O-N 3.43Å; L445-V447 VanDerWaalsContact O-N 3.16Å |
| 446 | P | 33.8 | Very low | 43.4 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.8 | -177.1 | -6.6 | 22.1 | 0 | 0 | 0 | 108.7 | S448 | P446-S448 VanDerWaalsContact C-N 3.32Å; P446-S448 PolarHBondContact O-N 3.3Å |
| 447 | V | 32.6 | Very low | 43.1 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | trans | -75.9 | 92.1 | 168.4 | 174.7 | 0 | 0 | 0 | 0 | 106.5 | L445 | L445-V447 PolarHBondContact O-N 3.43Å; L445-V447 VanDerWaalsContact O-N 3.16Å | ||
| 448 | S | 35.8 | Very low | 43.2 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | trans | -101.6 | 80.7 | 161.8 | 53.2 | 0 | 0 | 0 | 0 | 108 | P446 | P446-S448 VanDerWaalsContact C-N 3.32Å; P446-S448 PolarHBondContact O-N 3.3Å | ||
| 449 | S | 39 | Very low | 43.4 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | trans | -167.2 | 107.9 | 167.1 | 165.9 | 0 | 0 | 0 | 0 | 108.1 | Q451 | S449-Q451 PolarHBondContact O-N 3.44Š| ||
| 450 | G | 32.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 119 Ų | 119 | 98% | 0.979 | 63% | 0.631 | S | S | * | * | trans | -67.8 | 72.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | Q | 37.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | trans | -110.6 | 142.1 | 165.7 | -74.3 | -162.8 | -19.3 | 0 | 0 | 109.9 | S449 F454 | S449-Q451 PolarHBondContact O-N 3.44Å; Q451-F454 HydrophobicContact CB-CE2 4.24Å | ||
| 452 | D | 37.3 | Very low | 47.5 | Very low | 143 Ų | 143 | 104.1 Ų | 104.1 | 77% | 0.765 | 58% | 0.576 | S | S | * | * | trans | -50.8 | 143.7 | -179.3 | -75.9 | -40 | 0 | 0 | 0 | 112.4 | F454 | D452-F454 PolarHBondContact O-N 3.4Š| ||
| 453 | P | 46.6 | Very low | 49.7 | Very low | 68 Ų | 68 | 95.2 Ų | 95.2 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | trans | -59.2 | 117.4 | -174.8 | 23.2 | -34.4 | 0 | 0 | 0 | 112.7 | E436 H455 | E436-P453 VanDerWaalsContact OE1-CB 3.31Å; E436-P453 WeakPolarHBondContact OE1-CB 3.34Å; E436-P453 WeakPolarHBondContact OE2-CA 3.26Å; E436-P453 WeakPolarHBondContact OE2-CB 3.46Å; P453-H455 PolarHBondContact O-N 2.97Å; P453-H455 PolarHBondContact O-ND1 2.94Å | ||
| 454 | F | 54.1 | Low | 52.2 | Low | 66 Ų | 66 | 85.2 Ų | 85.2 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | trans | -78.5 | 112.3 | -174.9 | -73.4 | -79.2 | 0 | 0 | 0 | 111.8 | M416 Y417 E436 Q451 D452 | M416-F454 WeakPolarHBondContact O-CE1 3.44Å; Y417-F454 HydrophobicContact CD2-CE1 4.5Å; Y417-F454 HydrophobicContact CD2-CZ 4.49Å; E436-F454 WeakPolarHBondContact CB-O 3.05Å; E436-F454 PolarHBondContact N-O 3.04Å; Q451-F454 HydrophobicContact CB-CE2 4.24Å; D452-F454 PolarHBondContact O-N 3.4Å | ||
| 455 | H | 57.7 | Low | 55 | Low | 95 Ų | 95 | 78.5 Ų | 78.5 | 44% | 0.44 | 46% | 0.464 | S | S | . | . | trans | -110.7 | 110.5 | 178.7 | -64.9 | 82.3 | 0 | 0 | 0 | 111.9 | P453 Q457 | P453-H455 PolarHBondContact O-N 2.97Å; P453-H455 PolarHBondContact O-ND1 2.94Å; H455-Q457 PolarHBondContact O-N 3.33Å | ||
| 456 | F | 63.6 | Low | 57.8 | Low | 11 Ų | 11 | 71.4 Ų | 71.4 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | trans | -70.7 | 128.4 | 165.4 | -64.7 | -58.1 | 0 | 0 | 0 | 109.9 | R385 I387 L405 V433 G435 | R385-F456 PolarHBondContact NH1-O 2.95Å; R385-F456 VanDerWaalsContact NH1-O 3.12Å; I387-F456 HydrophobicContact CD1-CD1 3.49Å; I387-F456 VanDerWaalsContact CD1-CD1 3.49Å; I387-F456 HydrophobicContact CD1-CE1 3.36Å; I387-F456 HydrophobicContact CD1-CE2 4.48Å; I387-F456 HydrophobicContact CD1-CG 4.16Å; I387-F456 HydrophobicContact CD1-CZ 3.9Å; I387-F456 HydrophobicContact CG1-CD1 4.35Å; I387-F456 HydrophobicContact CG1-CE1 4.3Å; I387-F456 HydrophobicContact CG1-CZ 4.45Å; L405-F456 HydrophobicContact CD2-CE1 4.24Å; L405-F456 HydrophobicContact CD2-CZ 4.36Å; V433-F456 HydrophobicContact CB-CE2 4.48Å; V433-F456 HydrophobicContact CB-CZ 4.24Å; V433-F456 HydrophobicContact CG1-CE2 4.02Å; V433-F456 HydrophobicContact CG1-CZ 3.66Å; G435-F456 VanDerWaalsContact CA-CD2 3.5Å | ||
| 457 | Q | 59.8 | Low | 60.5 | Low | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | trans | -91.5 | 146 | 179 | -73.6 | -159.5 | 11.2 | 0 | 0 | 112.4 | Q407 V414 H455 | Q407-Q457 PolarHBondContact NE2-O 3.49Å; Q407-Q457 VanDerWaalsContact OE1-N 3.12Å; V414-Q457 HydrophobicContact CG1-CB 4.22Å; V414-Q457 HydrophobicContact CG1-CG 3.72Å; H455-Q457 PolarHBondContact O-N 3.33Å | ||
| 458 | S | 56.5 | Low | 63.2 | Low | 69 Ų | 69 | 61.4 Ų | 61.4 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | trans | -110.6 | 49.7 | -177.5 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | Y382 | Y382-S458 WeakPolarHBondContact CB-OG 3.09Å; Y382-S458 VanDerWaalsContact CD2-OG 3.27Å; Y382-S458 WeakPolarHBondContact CD2-OG 3.17Å | ||
| 459 | S | 57.5 | Low | 65.6 | Low | 41 Ų | 41 | 59.6 Ų | 59.6 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | trans | -94.8 | 146.9 | 177.7 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | V409 C462 | V409-S459 WeakPolarHBondContact CG1-OG 3.46Å; V409-S459 WeakPolarHBondContact CG2-OG 3.39Å; S459-C462 VanDerWaalsContact O-CB 3.26Å; S459-C462 WeakPolarHBondContact O-CB 3.26Å; S459-C462 PolarHBondContact O-N 2.93Å | ||
| 460 | R | 62.3 | Low | 67.7 | Low | 164 Ų | 164 | 63.7 Ų | 63.7 | 62% | 0.619 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 133 | 172.5 | -69.5 | 179.4 | 177.7 | -121.2 | -1.9 | 109 | C482 T484 | R460-C482 PolarHBondContact NH1-O 3.01Å; R460-C482 PolarHBondContact NH2-O 2.79Å; R460-C482 PolarHBondContact NH2-SG 3.27Å; R460-C482 VanDerWaalsContact NH2-SG 3.44Å; R460-T484 PolarHBondContact NH2-OG1 3.13Å |
| 461 | G | 67.1 | Low | 70.1 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 16.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 462 | C | 79.9 | Confident | 72.4 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.1 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 112 | Q407 F408 V409 S459 | Q407-C462 WeakPolarHBondContact CG-SG 3.45Å; Q407-C462 PolarHBondContact NE2-SG 3.3Å; F408-C462 VanDerWaalsContact O-CA 3.3Å; F408-C462 WeakPolarHBondContact O-CA 3.09Å; F408-C462 PolarHBondContact O-SG 3.46Å; V409-C462 HydrophobicContact CG2-CB 4.29Å; S459-C462 VanDerWaalsContact O-CB 3.26Å; S459-C462 WeakPolarHBondContact O-CB 3.26Å; S459-C462 PolarHBondContact O-N 2.93Å |
| 463 | V | 85.3 | Confident | 74.9 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | Q407 F408 M465 E476 Q478 | Q407-V463 CarbonylContact C-O 3.56Å; Q407-V463 WeakPolarHBondContact CA-O 3.27Å; F408-V463 PolarHBondContact N-O 2.91Å; F408-V463 PolarHBondContact O-N 3.41Å; V463-M465 HydrophobicContact CG1-CG 3.97Å; V463-M465 HydrophobicContact CG1-SD 4.45Å; V463-E476 HydrophobicContact CG1-CG 3.74Å; V463-E476 WeakPolarHBondContact CG1-OE1 3.37Å; V463-Q478 HydrophobicContact CG2-CG 4.18Å |
| 464 | T | 89.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.9 | 175 | -55 | 0 | 0 | 0 | 0 | 109.4 | I377 I387 L405 R406 E476 H477 | I377-T464 HydrophobicContact CD1-CG2 3.99Å; I377-T464 WeakPolarHBondContact CD1-O 3.48Å; I387-T464 HydrophobicContact CD1-CG2 3.8Å; I387-T464 HydrophobicContact CG2-CG2 4.38Å; L405-T464 HydrophobicContact CD1-CG2 3.69Å; L405-T464 HydrophobicContact CG-CG2 4.07Å; R406-T464 CarbonylContact O-C 3.56Å; R406-T464 WeakPolarHBondContact O-CA 3.22Å; T464-E476 CarbonylContact O-C 3.46Å; T464-E476 WeakPolarHBondContact O-CA 3.4Å; T464-H477 PolarHBondContact N-O 2.98Å; T464-H477 PolarHBondContact O-N 3.19Å |
| 465 | M | 91.6 | Very high | 78.4 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.4 | -178.7 | -58.5 | 177.2 | 76.9 | 0 | 0 | 110 | L405 R406 F408 V463 V467 V473 S475 E476 | L405-M465 CarbonylContact C-O 3.54Å; L405-M465 WeakPolarHBondContact CA-O 3.45Å; R406-M465 PolarHBondContact N-O 3.31Å; R406-M465 PolarHBondContact O-N 3.46Å; F408-M465 HydrophobicContact CD2-CG 4.41Å; F408-M465 HydrophobicContact CD2-SD 3.95Å; F408-M465 HydrophobicContact CE2-CG 4.37Å; F408-M465 HydrophobicContact CE2-SD 3.72Å; V463-M465 HydrophobicContact CG1-CG 3.97Å; V463-M465 HydrophobicContact CG1-SD 4.45Å; M465-V467 HydrophobicContact CB-CG2 4.33Å; M465-V473 HydrophobicContact CB-CG1 4.47Å; M465-V473 HydrophobicContact CE-CB 4.02Å; M465-V473 HydrophobicContact CE-CG1 3.45Å; M465-V473 VanDerWaalsContact CE-CG1 3.45Å; M465-V473 HydrophobicContact CE-CG2 3.34Å; M465-S475 CarbonylContact C-O 3.59Å; M465-S475 WeakPolarHBondContact CA-O 3.34Å; M465-E476 HydrophobicContact CG-CB 4.49Å; M465-E476 HydrophobicContact CG-CG 4.13Å |
| 466 | L | 92.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.5 | 168.4 | -178.9 | 63.7 | 0 | 0 | 0 | 108.4 | L375 I377 I389 F403 L405 F419 L474 S475 | L375-L466 HydrophobicContact CB-CD2 4.11Å; L375-L466 HydrophobicContact CD1-CD2 4.11Å; I377-L466 HydrophobicContact CD1-CB 4.19Å; I377-L466 HydrophobicContact CG1-CB 4.36Å; I389-L466 HydrophobicContact CD1-CD1 3.99Å; I389-L466 HydrophobicContact CD1-CD2 4.22Å; I389-L466 HydrophobicContact CG2-CD2 4.01Å; F403-L466 HydrophobicContact CB-CD1 4.35Å; F403-L466 HydrophobicContact CD2-CD1 4.43Å; L405-L466 HydrophobicContact CD1-CB 4.45Å; L405-L466 HydrophobicContact CD1-CD1 4.38Å; F419-L466 HydrophobicContact CE2-CD1 3.92Å; L466-L474 PolarHBondContact O-N 2.69Å; L466-S475 PolarHBondContact N-O 3.13Å |
| 467 | V | 91.4 | Very high | 80.9 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.6 | -174.3 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | F403 V404 R406 M465 G471 Q472 | F403-V467 CarbonylContact C-O 3.6Å; F403-V467 WeakPolarHBondContact CA-O 3.5Å; V404-V467 PolarHBondContact N-O 3.45Å; V404-V467 PolarHBondContact O-N 2.87Å; R406-V467 HydrophobicContact CG-CG2 4.3Å; M465-V467 HydrophobicContact CB-CG2 4.33Å; V467-G471 VanDerWaalsContact CG1-C 3.43Å; V467-Q472 CarbonylContact C-O 3.58Å; V467-Q472 VanDerWaalsContact CA-O 3.31Å; V467-Q472 WeakPolarHBondContact CA-O 3.43Å; V467-Q472 WeakPolarHBondContact CG1-O 3.32Å |
| 468 | N | 89.8 | Confident | 82 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | trans | -77 | 169.5 | 175.4 | 75.2 | 3.7 | 0 | 0 | 0 | 111.5 | F403 H470 G471 Q472 L474 | F403-N468 HydrophobicContact CE2-CB 4.36Å; F403-N468 HydrophobicContact CZ-CB 4.33Å; N468-H470 PolarHBondContact O-N 2.88Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 VanDerWaalsContact OD1-C 3.23Å; N468-H470 WeakPolarHBondContact OD1-CA 3.37Å; N468-H470 WeakPolarHBondContact OD1-CB 3.36Å; N468-H470 PolarHBondContact OD1-N 2.89Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.3Å; N468-Q472 PolarHBondContact N-O 3.45Å; N468-Q472 PolarHBondContact ND2-OE1 3.44Å; N468-Q472 WeakPolarHBondContact OD1-CB 3.32Å; N468-Q472 PolarHBondContact OD1-N 2.88Å; N468-Q472 PolarHBondContact OD1-O 2.93Å; N468-L474 HydrophobicContact CB-CD1 3.93Å; N468-L474 HydrophobicContact CB-CD2 4.4Å; N468-L474 HydrophobicContact CB-CG 4.18Å | ||
| 469 | P | 86.6 | Confident | 82.5 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.7 | 176.9 | -23.3 | 33.8 | 0 | 0 | 0 | 113.3 | F403 G471 | F403-P469 VanDerWaalsContact CD1-CD 3.48Å; F403-P469 HydrophobicContact CD1-CG 3.94Å; F403-P469 HydrophobicContact CE1-CG 4.19Å; P469-G471 VanDerWaalsContact C-N 3.26Å; P469-G471 PolarHBondContact O-N 3.39Å |
| 470 | H | 83.2 | Confident | 82.6 | Confident | 159 Ų | 159 | 55.6 Ų | 55.6 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.6 | 176.4 | -52.8 | -64.9 | 0 | 0 | 0 | 113.5 | N468 | N468-H470 PolarHBondContact O-N 2.88Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 VanDerWaalsContact OD1-C 3.23Å; N468-H470 WeakPolarHBondContact OD1-CA 3.37Å; N468-H470 WeakPolarHBondContact OD1-CB 3.36Å; N468-H470 PolarHBondContact OD1-N 2.89Å |
| 471 | G | 81.4 | Confident | 82.3 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 82.8 | 3.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V467 N468 P469 | V467-G471 VanDerWaalsContact CG1-C 3.43Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.3Å; P469-G471 VanDerWaalsContact C-N 3.26Å; P469-G471 PolarHBondContact O-N 3.39Å |
| 472 | Q | 87.6 | Confident | 81.3 | Confident | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | trans | -82.4 | 141.7 | 177.8 | -56.4 | 170.5 | -22.7 | 0 | 0 | 111.4 | V467 N468 | V467-Q472 CarbonylContact C-O 3.58Å; V467-Q472 VanDerWaalsContact CA-O 3.31Å; V467-Q472 WeakPolarHBondContact CA-O 3.43Å; V467-Q472 WeakPolarHBondContact CG1-O 3.32Å; N468-Q472 PolarHBondContact N-O 3.45Å; N468-Q472 PolarHBondContact ND2-OE1 3.44Å; N468-Q472 WeakPolarHBondContact OD1-CB 3.32Å; N468-Q472 PolarHBondContact OD1-N 2.88Å; N468-Q472 PolarHBondContact OD1-O 2.93Å | ||
| 473 | V | 88.5 | Confident | 79.6 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | M465 | M465-V473 HydrophobicContact CB-CG1 4.47Å; M465-V473 HydrophobicContact CE-CB 4.02Å; M465-V473 HydrophobicContact CE-CG1 3.45Å; M465-V473 VanDerWaalsContact CE-CG1 3.45Å; M465-V473 HydrophobicContact CE-CG2 3.34Å |
| 474 | L | 86.8 | Confident | 77.4 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -32.8 | -178.7 | -58.3 | -179 | 0 | 0 | 0 | 112.8 | C373 L375 F403 L466 N468 | C373-L474 HydrophobicContact CB-CD2 4.47Å; C373-L474 VanDerWaalsContact SG-CD2 3.57Å; L375-L474 HydrophobicContact CD1-CD1 4.2Å; F403-L474 HydrophobicContact CD2-CD1 3.75Å; F403-L474 HydrophobicContact CE2-CD1 3.21Å; F403-L474 HydrophobicContact CZ-CD1 4.11Å; L466-L474 PolarHBondContact O-N 2.69Å; N468-L474 HydrophobicContact CB-CD1 3.93Å; N468-L474 HydrophobicContact CB-CD2 4.4Å; N468-L474 HydrophobicContact CB-CG 4.18Å |
| 475 | S | 88.3 | Confident | 75.3 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 12% | 0.119 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 138.7 | 178.3 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | I377 M465 L466 | I377-S475 PolarHBondContact N-OG 3.3Å; M465-S475 CarbonylContact C-O 3.59Å; M465-S475 WeakPolarHBondContact CA-O 3.34Å; L466-S475 PolarHBondContact N-O 3.13Å |
| 476 | E | 90 | Very high | 73.1 | Confident | 70 Ų | 70 | 69 Ų | 69 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.8 | 175.9 | -179 | 173.2 | -179.5 | 0 | 0 | 109.8 | R365 V463 T464 M465 | R365-E476 IonicContact CZ-OE1 3.65Å; R365-E476 IonicContact CZ-OE2 2.98Å; R365-E476 IonicContact NE-OE1 3.9Å; R365-E476 IonicContact NE-OE2 3.56Å; R365-E476 IonicContact NH1-OE1 3.36Å; R365-E476 PolarHBondContact NH1-OE1 2.89Å; R365-E476 IonicContact NH1-OE2 3.98Å; R365-E476 IonicContact NH2-OE1 3.27Å; R365-E476 PolarHBondContact NH2-OE1 3.34Å; R365-E476 IonicContact NH2-OE2 2.74Å; R365-E476 PolarHBondContact NH2-OE2 3.48Å; V463-E476 HydrophobicContact CG1-CG 3.74Å; V463-E476 WeakPolarHBondContact CG1-OE1 3.37Å; T464-E476 CarbonylContact O-C 3.46Å; T464-E476 WeakPolarHBondContact O-CA 3.4Å; M465-E476 HydrophobicContact CG-CB 4.49Å; M465-E476 HydrophobicContact CG-CG 4.13Å |
| 477 | H | 84.4 | Confident | 70.8 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.9 | 173.9 | -178.2 | 83.7 | 0 | 0 | 0 | 109.4 | I377 V380 T464 | I377-H477 HydrophobicContact CB-CB 3.98Å; I377-H477 HydrophobicContact CD1-CB 4.15Å; I377-H477 HydrophobicContact CG2-CB 3.62Å; V380-H477 HydrophobicContact CG2-CB 4.15Å; V380-H477 WeakPolarHBondContact CG2-CD2 3.48Å; T464-H477 PolarHBondContact N-O 2.98Å; T464-H477 PolarHBondContact O-N 3.19Å |
| 478 | Q | 82.6 | Confident | 68.5 | Low | 130 Ų | 130 | 78.4 Ų | 78.4 | 61% | 0.607 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.9 | 170.2 | -172.1 | 173.2 | 40.6 | 0 | 0 | 108.5 | V463 A480 | V463-Q478 HydrophobicContact CG2-CG 4.18Å; Q478-A480 PolarHBondContact O-N 3.03Å |
| 479 | A | 66.5 | Low | 66.4 | Low | 48 Ų | 48 | 83.8 Ų | 83.8 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | trans | -66.5 | 127 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 480 | A | 60.1 | Low | 64.6 | Low | 84 Ų | 84 | 88.7 Ų | 88.7 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | trans | -54.7 | 136.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q478 C482 | Q478-A480 PolarHBondContact O-N 3.03Å; A480-C482 PolarHBondContact O-N 3.49Å | ||
| 481 | P | 55.2 | Low | 62.8 | Low | 115 Ų | 115 | 85.7 Ų | 85.7 | 75% | 0.747 | 50% | 0.495 | S | S | * | . | trans | -53.8 | 113.8 | 175 | -22.9 | 31.7 | 0 | 0 | 0 | 109 | V483 | P481-V483 VanDerWaalsContact C-N 3.33Å; P481-V483 PolarHBondContact O-N 3.45Å | ||
| 482 | C | 46.5 | Very low | 60.9 | Low | 64 Ų | 64 | 90.1 Ų | 90.1 | 43% | 0.432 | 51% | 0.509 | S | S | . | . | trans | -71.7 | 95.5 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | R460 A480 T484 | R460-C482 PolarHBondContact NH1-O 3.01Å; R460-C482 PolarHBondContact NH2-O 2.79Å; R460-C482 PolarHBondContact NH2-SG 3.27Å; R460-C482 VanDerWaalsContact NH2-SG 3.44Å; A480-C482 PolarHBondContact O-N 3.49Å; C482-T484 VanDerWaalsContact C-N 3.3Å; C482-T484 PolarHBondContact O-N 2.76Å | ||
| 483 | V | 44.1 | Very low | 59.1 | Low | 103 Ų | 103 | 92.7 Ų | 92.7 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | trans | -59.7 | 99.4 | 162 | 179.3 | 0 | 0 | 0 | 0 | 105.2 | P481 S487 | P481-V483 VanDerWaalsContact C-N 3.33Å; P481-V483 PolarHBondContact O-N 3.45Å; V483-S487 VanDerWaalsContact CG1-CB 3.4Å; V483-S487 WeakPolarHBondContact CG1-OG 3.44Å | ||
| 484 | T | 39.4 | Very low | 57.1 | Low | 81 Ų | 81 | 93.4 Ų | 93.4 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | trans | -56.2 | 150.3 | -179.7 | -29.6 | 0 | 0 | 0 | 0 | 108 | R460 C482 G486 S487 | R460-T484 PolarHBondContact NH2-OG1 3.13Å; C482-T484 VanDerWaalsContact C-N 3.3Å; C482-T484 PolarHBondContact O-N 2.76Å; T484-G486 PolarHBondContact O-N 3.21Å; T484-S487 PolarHBondContact N-OG 2.92Å; T484-S487 PolarHBondContact O-N 3.39Å; T484-S487 PolarHBondContact O-OG 3.24Å | ||
| 485 | L | 45.3 | Very low | 54.8 | Low | 147 Ų | 147 | 98.8 Ų | 98.8 | 77% | 0.77 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -50.9 | -23.8 | -178.7 | -147.3 | 84.8 | 0 | 0 | 0 | 113.4 | S487 K488 | L485-S487 VanDerWaalsContact C-N 3.29Å; L485-S487 PolarHBondContact O-N 3.33Å; L485-K488 PolarHBondContact O-N 3.49Å |
| 486 | G | 44.9 | Very low | 52.6 | Low | 41 Ų | 41 | 108.8 Ų | 108.8 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -65.7 | -19.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T484 | T484-G486 PolarHBondContact O-N 3.21Š|
| 487 | S | 44.7 | Very low | 50.5 | Low | 47 Ų | 47 | 111.1 Ų | 111.1 | 33% | 0.329 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -93.1 | -7.3 | 175.8 | 22.6 | 0 | 0 | 0 | 0 | 113.7 | V483 T484 L485 I489 | V483-S487 VanDerWaalsContact CG1-CB 3.4Å; V483-S487 WeakPolarHBondContact CG1-OG 3.44Å; T484-S487 PolarHBondContact N-OG 2.92Å; T484-S487 PolarHBondContact O-N 3.39Å; T484-S487 PolarHBondContact O-OG 3.24Å; L485-S487 VanDerWaalsContact C-N 3.29Å; L485-S487 PolarHBondContact O-N 3.33Å; S487-I489 VanDerWaalsContact C-N 3.27Å |
| 488 | K | 42.3 | Very low | 48.1 | Very low | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -80.1 | -8.2 | 164.1 | -88.5 | -172.5 | 174 | -175.2 | 0 | 113.1 | L485 F490 T491 | L485-K488 PolarHBondContact O-N 3.49Å; K488-F490 VanDerWaalsContact C-N 3.29Å; K488-T491 PolarHBondContact O-OG1 3.43Å |
| 489 | I | 47.3 | Very low | 46.1 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 65% | 0.651 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -13.4 | 176.1 | -38.7 | 175.6 | 0 | 0 | 0 | 111 | S487 | S487-I489 VanDerWaalsContact C-N 3.27Š|
| 490 | F | 47.9 | Very low | 44.6 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 12.2 | 178.1 | -68.3 | -77.4 | 0 | 0 | 0 | 113.6 | K488 D492 | K488-F490 VanDerWaalsContact C-N 3.29Å; F490-D492 VanDerWaalsContact C-N 3.34Å |
| 491 | T | 45.3 | Very low | 43.1 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 58% | 0.583 | 67% | 0.669 | S | S | * | * | trans | -98.2 | 17.2 | 168.7 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | K488 N493 | K488-T491 PolarHBondContact O-OG1 3.43Å; T491-N493 PolarHBondContact O-N 2.99Å | ||
| 492 | D | 41.9 | Very low | 42.2 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -80.1 | 103.6 | 158 | -101.3 | -13 | 0 | 0 | 0 | 107.2 | F490 T494 | F490-D492 VanDerWaalsContact C-N 3.34Å; D492-T494 PolarHBondContact O-N 3.49Å | ||
| 493 | N | 49 | Very low | 41.5 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | trans | -62.9 | 75.2 | 165.6 | -64.7 | -59.8 | 0 | 0 | 0 | 109.3 | T491 | T491-N493 PolarHBondContact O-N 2.99Š| ||
| 494 | T | 46.3 | Very low | 41 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 53% | 0.534 | 70% | 0.699 | S | S | . | * | trans | -115.1 | 57.7 | 164.9 | -43.9 | 0 | 0 | 0 | 0 | 108.8 | D492 W496 | D492-T494 PolarHBondContact O-N 3.49Å; T494-W496 HydrophobicContact CG2-CD2 4.3Å; T494-W496 HydrophobicContact CG2-CG 4.19Å; T494-W496 PolarHBondContact O-N 3.43Å | ||
| 495 | D | 39.7 | Very low | 40.7 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | -74.5 | 76.5 | 155.6 | -73.6 | -23.5 | 0 | 0 | 0 | 107.5 | ||||
| 496 | W | 41.1 | Very low | 40 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -77 | 124.9 | 156.5 | -81.1 | -1.7 | 0 | 0 | 0 | 107.6 | T494 | T494-W496 HydrophobicContact CG2-CD2 4.3Å; T494-W496 HydrophobicContact CG2-CG 4.19Å; T494-W496 PolarHBondContact O-N 3.43Å | ||
| 497 | S | 47 | Very low | 39.6 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 90.2 | 67.3 | 177.8 | 73.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 498 | I | 34.1 | Very low | 39.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | trans | -125.3 | 105 | 133.3 | -55.4 | 178.4 | 0 | 0 | 0 | 107.4 | R500 | I498-R500 HydrophobicContact CG2-CG 4.38Å; I498-R500 PolarHBondContact O-N 2.88Å; I498-R500 VanDerWaalsContact O-N 3.15Å | ||
| 499 | D | 39.6 | Very low | 38.7 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -59.6 | 107.4 | 172.3 | -151.4 | 0.8 | 0 | 0 | 0 | 108.4 | ||||
| 500 | R | 34.2 | Very low | 38 | Very low | 213 Ų | 213 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -108.9 | 102.9 | 172.4 | -65.6 | -165.4 | -157.6 | -157.8 | 6.4 | 108.1 | I498 | I498-R500 HydrophobicContact CG2-CG 4.38Å; I498-R500 PolarHBondContact O-N 2.88Å; I498-R500 VanDerWaalsContact O-N 3.15Å | ||
| 501 | F | 30.4 | Very low | 37.2 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.1 | 163.3 | -75 | -89.3 | 0 | 0 | 0 | 109.7 | ||
| 502 | P | 35.1 | Very low | 36.6 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119.6 | 172.8 | 30.1 | -28.5 | 0 | 0 | 0 | 109.7 | ||
| 503 | L | 32.2 | Very low | 36 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 136.6 | 156.7 | -70.6 | 171.8 | 0 | 0 | 0 | 108.1 | ||
| 504 | P | 33.1 | Very low | 35.1 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 117.6 | 179.9 | 31.4 | -29 | 0 | 0 | 0 | 110.3 | ||
| 505 | E | 32.6 | Very low | 34.2 | Very low | 196 Ų | 196 | 152.2 Ų | 152.2 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 125.1 | 159.5 | -78.7 | -179 | 172.9 | 0 | 0 | 109 | ||
| 506 | S | 31.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 119.9 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 507 | E | 37.2 | Very low | 33 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -109.3 | 133.6 | 154.9 | -70.8 | -160.9 | 159.4 | 0 | 0 | 109.7 | ||||
| 508 | P | 38.5 | Very low | 32.1 | Very low | 118 Ų | 118 | 159 Ų | 159 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -91.1 | 116.8 | 174.2 | 32.9 | -26.4 | 0 | 0 | 0 | 111.3 | ||||
| 509 | N | 30 | Very low | 32.6 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | 34.2 | 117.2 | 137.7 | -66.9 | -42.6 | 0 | 0 | 0 | 119.6 | ||||
| 510 | A | 32.5 | Very low | 31.9 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -135.6 | 133.3 | 132.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 511 | D | 30.5 | Very low | 32.2 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -89.8 | 174.3 | -163.8 | -170.1 | 16.7 | 0 | 0 | 0 | 113 | ||||
| 512 | H | 32.9 | Very low | 32.7 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 90.1 | 123.7 | 173.4 | -47.1 | -39.4 | 0 | 0 | 0 | 114.5 | ||||
| 513 | G | 29.6 | Very low | 32.5 | Very low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 161.1 | 144.9 | 9.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 514 | E | 30.1 | Very low | 32.5 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | 38.6 | 124.5 | 157.2 | -57 | -176.2 | 146.6 | 0 | 0 | 117.8 | ||||
| 515 | E | 27 | Very low | 32.2 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | -166.2 | 145.1 | 74.8 | -157.8 | 167.4 | -168.4 | 0 | 0 | 111.7 | |||||
| 516 | R | 28 | Very low | 32.1 | Very low | 220 Ų | 220 | 151.7 Ų | 151.7 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -61.1 | 152.1 | 177.3 | -66.8 | 167.1 | 169.9 | 172.4 | -2.1 | 110.8 | ||||
| 517 | H | 27.3 | Very low | 32.1 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | -171.6 | 105.2 | 112 | -92.9 | -67.2 | 0 | 0 | 0 | 111.1 | |||||
| 518 | R | 27.9 | Very low | 32 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -60.9 | -179.5 | 152 | -117.6 | -159.4 | 177.9 | 170.5 | 1.1 | 109.6 | ||||
| 519 | P | 44 | Very low | 31.6 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | cis | -134.2 | -174.1 | -41.8 | 32.1 | -12.8 | 0 | 0 | 0 | 111.5 | ||||
| 520 | S | 25.8 | Very low | 31.6 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 120.2 | 122.5 | 127.9 | -152.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 521 | S | 40.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 155.8 Ų | 155.8 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -58 | 164.2 | 153.1 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 522 | P | 41.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -153.4 | 148 | 98.7 | 34.8 | -14.4 | 0 | 0 | 0 | 117.9 | |||||
| 523 | H | 30.5 | Very low | 31.2 | Very low | 172 Ų | 172 | 154 Ų | 154 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 29.4 | 139.9 | 133.6 | -56.7 | -35.6 | 0 | 0 | 0 | 126.1 | ||||
| 524 | K | 31.6 | Very low | 31.4 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | 137.2 | 141.7 | 124.1 | -84.7 | -179.5 | 175.3 | 174 | 0 | 109.9 | |||||
| 525 | G | 27.2 | Very low | 31.5 | Very low | 79 Ų | 79 | 159.1 Ų | 159.1 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | cis | -165.5 | -162.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 526 | R | 31.9 | Very low | 32 | Very low | 229 Ų | 229 | 159.8 Ų | 159.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -175.8 | 134 | -24.2 | 171.6 | 178.8 | -169.1 | -148 | 5.2 | 104.1 | ||||
| 527 | V | 29.6 | Very low | 32.7 | Very low | 103 Ų | 103 | 155.4 Ų | 155.4 | 62% | 0.624 | 79% | 0.787 | S | S | * | * | trans | 70.5 | 142 | 147.8 | 162.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 528 | Q | 35.1 | Very low | 32.8 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | cis | -170.1 | 153.8 | -3.8 | -110.1 | 173.9 | 9.5 | 0 | 0 | 110.7 | ||||
| 529 | Y | 31.2 | Very low | 34.1 | Very low | 198 Ų | 198 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 52.4 | 131.3 | 152.9 | -59 | -61.7 | 0 | 0 | 0 | 120.7 | ||||
| 530 | A | 28.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | -158.1 | 161.5 | 66.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 531 | R | 29.8 | Very low | 33.5 | Very low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -57.9 | 148.6 | -172.5 | -62.8 | 167.2 | 175.3 | 176.4 | -2.8 | 113.9 | ||||
| 532 | A | 29.3 | Very low | 33 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -153.9 | 142.2 | 94.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 533 | M | 29.5 | Very low | 32.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -51.7 | 136.9 | 179.3 | -66.2 | -83.9 | -156.3 | 0 | 0 | 113.5 | ||||
| 534 | R | 33.2 | Very low | 32.5 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | 44.5 | 138.9 | 85.2 | -66.9 | -165.2 | 178.3 | -157.4 | 3.6 | 114.1 | |||||
| 535 | K | 31.4 | Very low | 32.3 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 74% | 0.735 | 78% | 0.78 | S | S | * | * | cis | -171.9 | 158.6 | -7.1 | -103.7 | 179.8 | -179.9 | -173.2 | 0 | 105.3 | ||||
| 536 | K | 38.6 | Very low | 32.5 | Very low | 195 Ų | 195 | 150.5 Ų | 150.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -24 | 167.4 | 161.3 | -61.6 | -174.5 | 176.9 | -174.7 | 0 | 116.8 | ||||
| 537 | P | 43.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | cis | -160.1 | 172.8 | 38.2 | 41.7 | -18 | 0 | 0 | 0 | 120.8 | ||||
| 538 | G | 28.1 | Very low | 32.1 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | 88.3 | 160.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 539 | P | 55.4 | Low | 32 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -118.1 | 172 | -148.9 | 39.1 | -24.2 | 0 | 0 | 0 | 116.4 | ||||
| 540 | G | 26.1 | Very low | 31.9 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 177.3 | 108.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 541 | V | 31.4 | Very low | 32 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 19.7 | 129.2 | 139.1 | -165.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 542 | H | 29.5 | Very low | 32 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | 170.9 | 141.4 | 111.3 | -109.6 | -49.5 | 0 | 0 | 0 | 116.6 | |||||
| 543 | Q | 33.3 | Very low | 31.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 69.2 | 149.8 | 145.8 | -73.4 | 174.5 | 18.6 | 0 | 0 | 119.7 | ||||
| 544 | Q | 29.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 59% | 0.593 | 78% | 0.781 | S | S | * | * | cis | 176.8 | 141.5 | -12.8 | 170.3 | 164.4 | -39.8 | 0 | 0 | 107.4 | ||||
| 545 | R | 26.8 | Very low | 31.7 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 65.6 | 143.2 | 159.4 | -79.2 | 174.6 | -177.6 | -178 | -3 | 116.7 | ||||
| 546 | T | 31.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | cis | -167.4 | 151.6 | 30 | 0.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 547 | S | 27.5 | Very low | 31.5 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | 21 | 137.9 | 145.3 | 60.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 548 | G | 26.6 | Very low | 30.7 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 153.9 | 160.4 | 17.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 549 | L | 31.4 | Very low | 30.8 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 127.2 | 159.2 | -85.9 | 87.8 | 0 | 0 | 0 | 123 | ||||
| 550 | R | 30.7 | Very low | 29.5 | Very low | 225 Ų | 225 | 136.7 Ų | 136.7 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | trans | -44.5 | 155.5 | 150.5 | -48.3 | 173.3 | -163.3 | -154.1 | 2.1 | 110.8 | ||||
| 551 | T | 30.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | 173.3 | 154 | 66.6 | 30.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 552 | S | 30.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 39.6 | 135.7 | 141.1 | 67.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 553 | G | 25.2 | Very low | 29.5 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 166.7 | 93 | 153.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 554 | S | 31.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -47.9 | 149 | 156.3 | 161.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 555 | L | 29.3 | Very low | 29.8 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -174.7 | 139.8 | 133.3 | -94.6 | 162.8 | 0 | 0 | 0 | 111.5 | ||||
| 556 | R | 30.2 | Very low | 29.9 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | -60.7 | 169.2 | 172.9 | -76.6 | -87.9 | -172.7 | 161.8 | 0.2 | 112.6 | ||||
| 557 | P | 34.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -129 | 141.5 | 108.8 | 5.5 | 16.1 | 0 | 0 | 0 | 115.5 | |||||
| 558 | T | 28 | Very low | 29.7 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -51.8 | 161.1 | 146.9 | 12.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 559 | E | 29.1 | Very low | 29.7 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -176.7 | 133 | 30 | -132.8 | 165.5 | -175.1 | 0 | 0 | 110.5 | ||||
| 560 | T | 27.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | 80 | 129.3 | 127.6 | 41.1 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 561 | R | 28.6 | Very low | 29.5 | Very low | 221 Ų | 221 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 73.5 | 143.4 | 138.9 | -68 | 172.4 | -178.8 | 177.8 | 2.4 | 117.6 | ||||
| 562 | D | 28.2 | Very low | 29.2 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | cis | -173.5 | 172.4 | -20.6 | -106.8 | -28 | 0 | 0 | 0 | 103.7 | ||||
| 563 | I | 30.4 | Very low | 29.4 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | 102.5 | 97.5 | 168.8 | -47.9 | 160.9 | 0 | 0 | 0 | 114.6 | ||||
| 564 | L | 31.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -85.5 | 156.5 | 148.1 | -74.6 | 168.4 | 0 | 0 | 0 | 108.3 | ||||
| 565 | P | 37.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -144 | 139.5 | 83.2 | 29.5 | -8.3 | 0 | 0 | 0 | 116.3 | |||||
| 566 | L | 28.8 | Very low | 29 | Very low | 142 Ų | 142 | 149 Ų | 149 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 33.6 | 137.7 | 122.8 | -84.2 | 164.5 | 0 | 0 | 0 | 122.3 | |||||
| 567 | L | 28.8 | Very low | 28.7 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 77.6 | 146.6 | 152.1 | -61.2 | 166.5 | 0 | 0 | 0 | 116 | ||||
| 568 | S | 25.8 | Very low | 28.4 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -178.4 | 171.8 | -4.2 | 179.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 569 | T | 25.3 | Very low | 29 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | 72.9 | 117.2 | 154.9 | 41.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 570 | R | 24.1 | Very low | 28.8 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | 54.4 | 116.7 | 120.8 | -68.7 | -178.7 | 172.8 | 179.7 | -2.2 | 120.2 | |||||
| 571 | K | 34.8 | Very low | 28.6 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | 36.4 | 130.1 | 139.2 | -66.3 | -165.9 | 177 | -174.2 | 0 | 119.1 | ||||
| 572 | L | 24 | Very low | 28.5 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -155.2 | 126.5 | 135.9 | -104 | 158 | 0 | 0 | 0 | 110.5 | ||||
| 573 | L | 33.7 | Very low | 28.3 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 136.5 | 154.4 | -76.5 | 164 | 0 | 0 | 0 | 107 | ||||
| 574 | H | 27.1 | Very low | 28 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | -177.8 | 151.9 | 159.8 | -107.7 | -46 | 0 | 0 | 0 | 107.4 | ||||
| 575 | L | 27.5 | Very low | 27.7 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | cis | -174.1 | 162 | 11.6 | 175 | 61.2 | 0 | 0 | 0 | 108.2 | E577 | L575-E577 HydrophobicContact CD1-CG 4.41Å; L575-E577 HydrophobicContact CG-CG 4.35Å | ||
| 576 | G | 24.4 | Very low | 27.2 | Very low | 69 Ų | 69 | 145.7 Ų | 145.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 163.2 | 73.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 577 | E | 23.9 | Very low | 27.1 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | 84.1 | 93.7 | 91.9 | -95.8 | -178.9 | 151.2 | 0 | 0 | 115.9 | L575 | L575-E577 HydrophobicContact CD1-CG 4.41Å; L575-E577 HydrophobicContact CG-CG 4.35Å | |||
| 578 | V | 26.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | 20.1 | 142.9 | 109 | -174.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 579 | P | 40.6 | Very low | 26.9 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -146.4 | 178 | 56.1 | 22.2 | 6 | 0 | 0 | 0 | 115.9 | |||||
| 580 | A | 24.6 | Very low | 27 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | cis | -169.4 | 166.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 581 | Q | 24.7 | Very low | 27 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 60.9 | 121 | 153.1 | -90.6 | -176.5 | -26.5 | 0 | 0 | 121.5 | ||||
| 582 | Q | 26 | Very low | 26.7 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | 154.1 | 137.8 | 95.4 | -123.5 | -177.3 | -31.1 | 0 | 0 | 113.6 | |||||
| 583 | E | 25.1 | Very low | 26.9 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 38.5 | 132.5 | 140.3 | -95 | 168.3 | 143.7 | 0 | 0 | 124.5 | ||||
| 584 | G | 24 | Very low | 26.7 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | 97 | 118.8 | 119.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 585 | M | 25 | Very low | 26.5 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | 64.9 | 119.3 | 145.9 | -85.7 | -174.3 | 161.2 | 0 | 0 | 123.5 | ||||
| 586 | K | 27 | Very low | 26.6 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 32.1 | 130.9 | 134 | -61.3 | -176.4 | 174.8 | -178.2 | 0 | 121.1 | ||||
| 587 | T | 25.5 | Very low | 26.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 136.2 | 129.2 | 113.7 | -27.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 588 | E | 25.1 | Very low | 27 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | 40.1 | 124.4 | 151.9 | -73.9 | 174.5 | 158.3 | 0 | 0 | 122 | ||||
| 589 | T | 25.4 | Very low | 27 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | 170.4 | 157.5 | 103 | 29.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 590 | S | 27.3 | Very low | 26.7 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -65.8 | -179.4 | -166.5 | -51.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 591 | E | 24.8 | Very low | 26.8 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 104.7 | 100.6 | 155.1 | -60.1 | -169.8 | 160 | 0 | 0 | 116.2 | ||||
| 592 | L | 28.9 | Very low | 26.8 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | 82.6 | 115.3 | 79.7 | -78.2 | 171.7 | 0 | 0 | 0 | 113.6 | |||||
| 593 | L | 26.9 | Very low | 26.9 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 148.1 | 173.8 | -70.1 | 165.4 | 0 | 0 | 0 | 111.2 | ||
| 594 | P | 29.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 140.4 | -174.4 | 31.6 | -32.3 | 0 | 0 | 0 | 113.5 | ||
| 595 | A | 24.8 | Very low | 26.9 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 158.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 596 | I | 27.8 | Very low | 27 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 145.5 | 174.9 | -61.2 | 166.1 | 0 | 0 | 0 | 110.2 | ||
| 597 | P | 30.2 | Very low | 27 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.2 | 171.7 | -0 | 18.7 | 0 | 0 | 0 | 112.5 | ||
| 598 | E | 26.8 | Very low | 27.1 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 147.6 | 159.9 | -70.9 | -171.2 | 159.9 | 0 | 0 | 110.7 | ||
| 599 | C | 26 | Very low | 27.3 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | 169 | 163 | 144.3 | -93.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 600 | P | 35.4 | Very low | 27.4 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -137.2 | 175.7 | -37.4 | 36.5 | -17.6 | 0 | 0 | 0 | 113.7 | ||||
| 601 | S | 26 | Very low | 27.4 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -62.4 | 152.6 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 602 | R | 26.1 | Very low | 27.7 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | 152.1 | 152.7 | 109.2 | -92.4 | -166.2 | 168.6 | -163.8 | -3.1 | 115.9 | |||||
| 603 | V | 27.5 | Very low | 27.7 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 84.9 | 142.6 | 157.6 | -155.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 604 | C | 22.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | 174.8 | 144.7 | -42.3 | -170.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 605 | L | 26.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 88.2 | 117.4 | 151.8 | -122.6 | 84.3 | 0 | 0 | 0 | 121.9 | ||||
| 606 | E | 27.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 150.9 Ų | 150.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 60.7 | 144.7 | 141.2 | -85.9 | -169.7 | -176.5 | 0 | 0 | 121.2 | ||||
| 607 | D | 26.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -155.9 | 172.2 | 8.3 | -148.7 | -15.5 | 0 | 0 | 0 | 110.6 | ||||
| 608 | S | 28 | Very low | 28.3 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -79.1 | 147.1 | -165.6 | 50.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 609 | Q | 28.3 | Very low | 28.4 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | 170.3 | 136.3 | 125 | -102 | 177.5 | -9.1 | 0 | 0 | 113.8 | |||||
| 610 | G | 27.1 | Very low | 28.8 | Very low | 77 Ų | 77 | 152.2 Ų | 152.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 136.3 | 94.5 | 155 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 611 | R | 28.4 | Very low | 29.1 | Very low | 221 Ų | 221 | 156.7 Ų | 156.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -25.1 | 126.6 | 167.8 | -86 | 176.2 | 176.8 | -105.1 | 9.4 | 116.6 | ||||
| 612 | Q | 30.7 | Very low | 29.7 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | 81.6 | 112.6 | 94.6 | -158.7 | 167 | 16.3 | 0 | 0 | 111.7 | |||||
| 613 | E | 28.6 | Very low | 30.6 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -147.7 | 153.6 | 66.6 | -83.1 | 178.4 | 157.7 | 0 | 0 | 114.8 | |||||
| 614 | R | 29.1 | Very low | 31.4 | Very low | 219 Ų | 219 | 151 Ų | 151 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -99.2 | 122 | -162.1 | -73.4 | 174.3 | 173.6 | 163.6 | -3 | 111.9 | V616 | R614-V616 HydrophobicContact CB-CG2 4.07Š| ||
| 615 | K | 33.1 | Very low | 32.6 | Very low | 214 Ų | 214 | 153.8 Ų | 153.8 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -86.8 | 118.6 | 145.1 | -81.4 | -179.6 | 177.5 | 177.6 | 0 | 107.2 | ||||
| 616 | V | 29.7 | Very low | 33.3 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | trans | -127.5 | 103.9 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | R614 V618 | R614-V616 HydrophobicContact CB-CG2 4.07Å; V616-V618 HydrophobicContact CG1-CB 4.23Å; V616-V618 HydrophobicContact CG1-CG2 3.32Å | ||
| 617 | Q | 32.3 | Very low | 33.7 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -81 | 119.8 | 157.7 | -179 | 177.1 | 10.9 | 0 | 0 | 106.7 | ||||
| 618 | V | 27.9 | Very low | 34.2 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 56% | 0.558 | 77% | 0.77 | S | S | * | * | trans | -133.7 | 108.2 | 172.5 | 164.5 | 0 | 0 | 0 | 0 | 108.9 | V616 R620 | V616-V618 HydrophobicContact CG1-CB 4.23Å; V616-V618 HydrophobicContact CG1-CG2 3.32Å; V618-R620 HydrophobicContact CG1-CG 3.46Å; V618-R620 VanDerWaalsContact CG1-CG 3.46Å | ||
| 619 | C | 29.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -72.7 | 130.6 | 149.9 | -68.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 620 | R | 33.5 | Very low | 35.1 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -119.6 | 119.4 | 159.2 | -68.6 | -164.6 | 173.5 | -178 | -4.3 | 109.7 | V618 | V618-R620 HydrophobicContact CG1-CG 3.46Å; V618-R620 VanDerWaalsContact CG1-CG 3.46Å | ||
| 621 | K | 42.3 | Very low | 35.5 | Very low | 211 Ų | 211 | 149 Ų | 149 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -108.5 | 83.2 | 162.5 | -78.6 | -179.4 | 174.9 | -179.8 | 0 | 107 | ||||
| 622 | S | 39.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 174.3 | 141.3 | 157.1 | 49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 623 | V | 45 | Very low | 36 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -103.5 | 131.3 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 624 | D | 42.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | trans | -75 | 121.1 | 177.2 | -173.1 | -5.9 | 0 | 0 | 0 | 109.7 | S626 | D624-S626 WeakPolarHBondContact OD1-CB 3.27Å; D624-S626 PolarHBondContact OD1-N 3.45Å; D624-S626 VanDerWaalsContact OD1-N 3.09Å; D624-S626 PolarHBondContact OD1-OG 2.88Å; D624-S626 PolarHBondContact OD2-OG 3.21Å | ||
| 625 | L | 48.7 | Very low | 36.4 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -94.2 | 6.8 | -177 | -64.1 | 175 | 0 | 0 | 0 | 113 | C627 | L625-C627 VanDerWaalsContact C-N 3.35Š| ||
| 626 | S | 40.6 | Very low | 36.4 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -87.3 | 3.8 | -177 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | D624 | D624-S626 WeakPolarHBondContact OD1-CB 3.27Å; D624-S626 PolarHBondContact OD1-N 3.45Å; D624-S626 VanDerWaalsContact OD1-N 3.09Å; D624-S626 PolarHBondContact OD1-OG 2.88Å; D624-S626 PolarHBondContact OD2-OG 3.21Å |
| 627 | C | 35.3 | Very low | 36.7 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119 | 129.6 | 178.8 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | L625 M629 | L625-C627 VanDerWaalsContact C-N 3.35Å; C627-M629 PolarHBondContact O-N 2.95Å |
| 628 | P | 38.7 | Very low | 36.8 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -66.7 | 119.8 | 176.1 | 26.1 | -31.5 | 0 | 0 | 0 | 110.5 | V630 | P628-V630 PolarHBondContact O-N 3.06Š| ||
| 629 | M | 34.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 108.5 | 177.9 | -132.9 | -172.4 | -43.7 | 0 | 0 | 109.3 | C627 | C627-M629 PolarHBondContact O-N 2.95Š| ||
| 630 | V | 40.1 | Very low | 37.3 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -87.7 | 109.9 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | P628 L632 | P628-V630 PolarHBondContact O-N 3.06Å; V630-L632 HydrophobicContact CG1-CD2 4.5Å; V630-L632 PolarHBondContact O-N 3.19Å | ||
| 631 | A | 35.9 | Very low | 37.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 107.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S633 | A631-S633 PolarHBondContact O-N 3.15Š| ||
| 632 | L | 32.5 | Very low | 37.6 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 95.9 | 164.8 | -66.9 | 175.4 | 0 | 0 | 0 | 108 | V630 V634 | V630-L632 HydrophobicContact CG1-CD2 4.5Å; V630-L632 PolarHBondContact O-N 3.19Å; L632-V634 PolarHBondContact O-N 3.49Å | ||
| 633 | S | 36.8 | Very low | 37.3 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -75.7 | 115.4 | 164.5 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | A631 Q635 | A631-S633 PolarHBondContact O-N 3.15Å; S633-Q635 PolarHBondContact O-N 2.9Å; S633-Q635 VanDerWaalsContact O-N 3.16Å | ||
| 634 | V | 31.4 | Very low | 37 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -70 | 107.6 | 167 | -178.9 | 0 | 0 | 0 | 0 | 107 | L632 | L632-V634 PolarHBondContact O-N 3.49Š| ||
| 635 | Q | 35 | Very low | 36.9 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -77.1 | 121.6 | 167.4 | -74.8 | 177.4 | -42 | 0 | 0 | 109.1 | S633 | S633-Q635 PolarHBondContact O-N 2.9Å; S633-Q635 VanDerWaalsContact O-N 3.16Å | ||
| 636 | N | 31.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -102.2 | 123.9 | 147.6 | -85.2 | -10.9 | 0 | 0 | 0 | 107.1 | ||||
| 637 | S | 37.6 | Very low | 36.1 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -16.1 | 118.8 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 638 | A | 34.1 | Very low | 36 | Very low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | 52.5 | 119.3 | 91.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 639 | E | 33.9 | Very low | 35.9 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | -140.9 | 134 | 65.1 | -66.7 | 178.7 | 166 | 0 | 0 | 113.8 | |||||
| 640 | S | 33.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -110 | 133.7 | 169 | 171.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 641 | R | 42.7 | Very low | 36.1 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -107.4 | 3.2 | 175 | -69.4 | -163 | -164.6 | -175.2 | 6.2 | 115.2 | ||||
| 642 | Y | 38.5 | Very low | 36.4 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -147.9 | 111.8 | 178.3 | -73.4 | -80.8 | 0 | 0 | 0 | 113.3 | ||
| 643 | G | 35.1 | Very low | 37 | Very low | 71 Ų | 71 | 150.8 Ų | 150.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 80.6 | 113.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 644 | F | 38.5 | Very low | 37.2 | Very low | 212 Ų | 212 | 155 Ų | 155 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -54.2 | 137.8 | 158 | -87 | -101.2 | 0 | 0 | 0 | 111.2 | ||||
| 645 | R | 40.4 | Very low | 37.6 | Very low | 240 Ų | 240 | 156.7 Ų | 156.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -122.1 | 126.1 | 162.7 | -71.1 | -163.1 | 178.9 | -115.7 | 1.5 | 110.5 | ||||
| 646 | F | 35.2 | Very low | 38.1 | Very low | 196 Ų | 196 | 155.1 Ų | 155.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -64.2 | 134.6 | 169.3 | -70.1 | -93.8 | 0 | 0 | 0 | 110 | C648 | F646-C648 PolarHBondContact O-N 3.08Š| ||
| 647 | L | 36.3 | Very low | 38.7 | Very low | 167 Ų | 167 | 157 Ų | 157 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -79 | 112.1 | 166.2 | -73 | 166 | 0 | 0 | 0 | 108.2 | Y649 | L647-Y649 PolarHBondContact O-N 3.09Š| ||
| 648 | C | 33.8 | Very low | 39 | Very low | 111 Ų | 111 | 163 Ų | 163 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | -91 | 84.9 | 170.8 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | F646 | F646-C648 PolarHBondContact O-N 3.08Š| ||
| 649 | Y | 36.3 | Very low | 39.6 | Very low | 214 Ų | 214 | 170.1 Ų | 170.1 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -144 | 125.5 | 155.2 | -70.8 | -74.6 | 0 | 0 | 0 | 109.2 | L647 | L647-Y649 PolarHBondContact O-N 3.09Š| ||
| 650 | P | 39.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 172.8 Ų | 172.8 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | trans | -74.2 | 150.7 | 168.5 | 30.5 | -30.4 | 0 | 0 | 0 | 110.3 | I652 | P650-I652 PolarHBondContact O-N 3.09Š| ||
| 651 | P | 39.6 | Very low | 40.2 | Very low | 118 Ų | 118 | 176 Ų | 176 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | trans | -66.7 | 129.1 | -179.1 | 27 | -32.4 | 0 | 0 | 0 | 110.6 | T653 | P651-T653 PolarHBondContact O-N 3.4Š| ||
| 652 | I | 41.4 | Very low | 40.1 | Very low | 154 Ų | 154 | 174.1 Ų | 174.1 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -68.4 | 109 | 174.8 | -59.1 | 166.9 | 0 | 0 | 0 | 107.4 | P650 | P650-I652 PolarHBondContact O-N 3.09Š| ||
| 653 | T | 44.3 | Very low | 40.2 | Very low | 98 Ų | 98 | 171.6 Ų | 171.6 | 60% | 0.601 | 84% | 0.835 | S | S | * | * | trans | -82.6 | 151.5 | 171.1 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | P651 E655 | P651-T653 PolarHBondContact O-N 3.4Å; T653-E655 PolarHBondContact O-N 3.26Å | ||
| 654 | E | 40.7 | Very low | 40.5 | Very low | 188 Ų | 188 | 177.5 Ų | 177.5 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | G | 310 helix | trans | -54.9 | -3.3 | -176.5 | -84.9 | 178.2 | 130.3 | 0 | 0 | 116.2 | L656 | E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.41Å |
| 655 | E | 41.8 | Very low | 40.6 | Very low | 171 Ų | 171 | 175.4 Ų | 175.4 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | G | 310 helix | trans | -78 | -15.9 | -172.1 | -135.3 | 164.5 | -173.7 | 0 | 0 | 113.9 | T653 | T653-E655 PolarHBondContact O-N 3.26Š|
| 656 | L | 43.8 | Very low | 40.6 | Very low | 143 Ų | 143 | 171.1 Ų | 171.1 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | G | 310 helix | trans | -83.1 | -12.8 | 178.6 | -94.8 | 164.3 | 0 | 0 | 0 | 114.9 | E654 | E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.41Å |
| 657 | F | 44.9 | Very low | 41 | Very low | 188 Ų | 188 | 169.3 Ų | 169.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | G | 310 helix | trans | -86.6 | -3.8 | 178.7 | -91.3 | -75.9 | 0 | 0 | 0 | 114.4 | ||
| 658 | R | 44.1 | Very low | 41.4 | Very low | 233 Ų | 233 | 169.5 Ų | 169.5 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | G | 310 helix | trans | -101.7 | 15.2 | -176.6 | -126.3 | -158.7 | -84.5 | -144.8 | 2.1 | 115.3 | ||
| 659 | R | 45.8 | Very low | 42 | Very low | 242 Ų | 242 | 174.3 Ų | 174.3 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | -135.7 | 27.6 | 177.8 | -86.4 | -169.4 | 177.5 | 170.5 | 0.7 | 115.2 | ||||
| 660 | L | 41.4 | Very low | 42.5 | Very low | 232 Ų | 232 | 170.7 Ų | 170.7 | 100% | 1.215 | 83% | 0.831 | S | S | * | * | trans | -120.2 | 0 | 162 | -86.5 | 165 | 0 | 0 | 0 | 110 |
Retrieved 660 of 660 residues in 112.7 ms
(Link to these results)