| 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 | 54.1 | Low | 48.2 | Very low | 236 Ų | 236 | 112.5 Ų | 112.5 | 100% | 1.163 | 86% | 0.859 | S | S | * | * | 0 | 106.6 | 0 | -64.7 | 174.2 | 173.7 | 0 | 0 | 105.3 | |||||
| 2 | A | 41.7 | Very low | 49.2 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 85% | 0.851 | 85% | 0.851 | S | S | * | * | 62.8 | 129 | 77.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 3 | A | 41.6 | Very low | 49.9 | Very low | 91 Ų | 91 | 108.5 Ų | 108.5 | 75% | 0.752 | 85% | 0.847 | S | S | * | * | cis | -158.4 | 140.8 | -5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | A | 46.6 | Very low | 50.7 | Low | 104 Ų | 104 | 108.8 Ų | 108.8 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | 47.6 | 103.3 | 85 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 5 | A | 46.2 | Very low | 51 | Low | 94 Ų | 94 | 106.9 Ų | 106.9 | 78% | 0.777 | 85% | 0.852 | S | S | * | * | trans | -175.9 | 125 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | A | 48.9 | Very low | 51.6 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | 72.2 | 141.1 | 64.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 7 | A | 48.9 | Very low | 52.1 | Low | 94 Ų | 94 | 114.4 Ų | 114.4 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | cis | -172.4 | -175 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | A | 48.7 | Very low | 52.5 | Low | 94 Ų | 94 | 112.6 Ų | 112.6 | 78% | 0.777 | 86% | 0.857 | S | S | * | * | trans | 68.5 | 125.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 9 | A | 48.2 | Very low | 53.2 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 86% | 0.86 | 86% | 0.857 | S | S | * | * | cis | 79.8 | 110.5 | 46.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | A | 54.5 | Low | 53.9 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 90% | 0.901 | 85% | 0.852 | S | S | * | * | trans | -147.3 | 129.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | A | 51.3 | Low | 54.3 | Low | 109 Ų | 109 | 111.9 Ų | 111.9 | 90% | 0.901 | 85% | 0.851 | S | S | * | * | trans | -112.7 | 141.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | G | 60.1 | Low | 54.7 | Low | 74 Ų | 74 | 103.7 Ų | 103.7 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -142.1 | 120.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 13 | A | 58.4 | Low | 55.6 | Low | 98 Ų | 98 | 108.7 Ų | 108.7 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | cis | 92.6 | 114.8 | 42.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | A | 60.4 | Low | 56.4 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 93% | 0.934 | 83% | 0.834 | S | S | * | * | trans | 59.5 | 152 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 15 | G | 55.2 | Low | 57.2 | Low | 80 Ų | 80 | 121.2 Ų | 121.2 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | cis | 165.1 | 139 | -3.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | G | 61.7 | Low | 58.2 | Low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -171.5 | 84.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | R | 58.7 | Low | 58.9 | Low | 261 Ų | 261 | 128.4 Ų | 128.4 | 99% | 0.985 | 83% | 0.834 | S | S | * | * | trans | -81.3 | 117.1 | 172.5 | -71.3 | 179.8 | 169.1 | -155.4 | -3.6 | 110 | ||||
| 18 | G | 60.7 | Low | 59.9 | Low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -121.5 | 84.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 19 | S | 65.9 | Low | 60.5 | Low | 122 Ų | 122 | 131.2 Ų | 131.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -87.8 | 128.3 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 20 | G | 67.1 | Low | 61.1 | Low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -150.8 | 92.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 21 | P | 60.7 | Low | 61.4 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -89.5 | 113 | 171 | 32.7 | -28.5 | 0 | 0 | 0 | 109.9 | ||||
| 22 | G | 62.4 | Low | 61.4 | Low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | trans | -176.4 | 77.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 23 | R | 61.5 | Low | 61.2 | Low | 209 Ų | 209 | 128 Ų | 128 | 79% | 0.789 | 82% | 0.822 | S | S | * | * | trans | 160.9 | 88.6 | 131 | -85.2 | 156.6 | -160.7 | -104.4 | 1.3 | 111.2 | R25 | R23-R25 PolarHBondContact O-N 2.96Š| ||
| 24 | R | 57.5 | Low | 61.3 | Low | 253 Ų | 253 | 133 Ų | 133 | 96% | 0.955 | 83% | 0.829 | S | S | * | * | trans | -70.1 | 121.4 | 149.2 | -77.6 | -174.9 | 172.6 | -167.2 | -2.5 | 107 | ||||
| 25 | R | 64.6 | Low | 60.8 | Low | 205 Ų | 205 | 132.5 Ų | 132.5 | 77% | 0.774 | 82% | 0.824 | S | S | * | * | trans | -116.4 | 124.3 | 164.3 | -88.2 | -174.4 | 165.9 | 179.9 | -6.3 | 109.2 | R23 | R23-R25 PolarHBondContact O-N 2.96Š| ||
| 26 | H | 66.9 | Low | 60.9 | Low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | -20.9 | 122.8 | 175.8 | -59.7 | -86.8 | 0 | 0 | 0 | 116.6 | ||||
| 27 | L | 63.6 | Low | 60.6 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -72.3 | 127.6 | 157.4 | -171.1 | 71.4 | 0 | 0 | 0 | 108.2 | ||||
| 28 | V | 70.5 | Confident | 60.4 | Low | 125 Ų | 125 | 129.2 Ų | 129.2 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -105.3 | 116.9 | 172.1 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | P | 60.7 | Low | 60.5 | Low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -93.2 | 123.5 | 163.3 | 33 | -26.6 | 0 | 0 | 0 | 109.5 | ||||
| 30 | G | 60.8 | Low | 60.5 | Low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -156.5 | 95 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 31 | A | 60 | Low | 60 | Low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | 36 | 113.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 32 | G | 53 | Low | 59.7 | Low | 88 Ų | 88 | 128.5 Ų | 128.5 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | 62.6 | 119.8 | 105.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 33 | G | 56 | Low | 59.4 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | trans | 162 | 86 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 34 | E | 58.7 | Low | 59.2 | Low | 205 Ų | 205 | 124.3 Ų | 124.3 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | 83.2 | 146.9 | 85.3 | -76.3 | -160.2 | 123.9 | 0 | 0 | 113.8 | |||||
| 35 | A | 51 | Low | 59.1 | Low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -80.6 | 157.4 | -152.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 36 | G | 57.4 | Low | 58.8 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -159.9 | 80.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | E | 54.4 | Low | 58 | Low | 201 Ų | 201 | 114.6 Ų | 114.6 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 134.7 | 170.4 | -71 | 166.8 | 89.9 | 0 | 0 | 110.5 | ||||
| 38 | G | 55.1 | Low | 57.6 | Low | 74 Ų | 74 | 114.4 Ų | 114.4 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -159.4 | 65.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 39 | A | 62.7 | Low | 56.6 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 23.5 | 120.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 40 | P | 66.1 | Low | 56.5 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 137.7 | 153.2 | 34 | -29.7 | 0 | 0 | 0 | 111 | ||||
| 41 | G | 56 | Low | 56 | Low | 81 Ų | 81 | 117.6 Ų | 117.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -158.3 | 144.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 42 | G | 54.2 | Low | 55.6 | Low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 95.8 | 89 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | A | 57 | Low | 55.9 | Low | 113 Ų | 113 | 122 Ų | 122 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | 66 | 111.7 | 61.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 44 | G | 57.2 | Low | 55.5 | Low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -177.1 | 66.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 45 | D | 54.9 | Low | 55.3 | Low | 141 Ų | 141 | 125.6 Ų | 125.6 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 128.5 | 178.9 | 174.4 | 29.4 | 0 | 0 | 0 | 111.3 | G47 | D45-G47 PolarHBondContact OD1-N 3.23Š| ||
| 46 | Y | 58.6 | Low | 56 | Low | 230 Ų | 230 | 128.8 Ų | 128.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -146.7 | 75.9 | 165.3 | -76.3 | -67.6 | 0 | 0 | 0 | 110.2 | ||||
| 47 | G | 49.6 | Very low | 55.9 | Low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 126.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D45 | D45-G47 PolarHBondContact OD1-N 3.23Š| ||
| 48 | N | 56.6 | Low | 55.9 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -161.7 | 113.8 | 152.4 | -87.9 | -26.5 | 0 | 0 | 0 | 104.3 | ||||
| 49 | G | 48.6 | Very low | 55.3 | Low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | cis | 96.4 | 118.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 50 | L | 59.2 | Low | 54.6 | Low | 152 Ų | 152 | 136.6 Ų | 136.6 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 72.5 | 142.1 | 178.2 | -41.8 | 173.9 | 0 | 0 | 0 | 114 | ||||
| 51 | E | 50.4 | Low | 53.7 | Low | 169 Ų | 169 | 136.9 Ų | 136.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | -159.2 | -177.1 | -17.9 | -124.8 | 158.1 | 174.4 | 0 | 0 | 109.4 | ||||
| 52 | S | 50.6 | Low | 53.2 | Low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -70.6 | -168.8 | -176.9 | -48.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 53 | E | 58.8 | Low | 53.7 | Low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 93.4 | 98.2 | 169.4 | -47.4 | -152 | 163.7 | 0 | 0 | 113 | ||||
| 54 | E | 48.8 | Very low | 53.8 | Low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 62 | 109.8 | 80.5 | -70.9 | -164.7 | 147.1 | 0 | 0 | 111.7 | |||||
| 55 | L | 54.7 | Low | 54.4 | Low | 171 Ų | 171 | 152 Ų | 152 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -176.1 | 93.7 | 150 | -101.4 | 165.3 | 0 | 0 | 0 | 108.8 | ||||
| 56 | E | 64.5 | Low | 55 | Low | 168 Ų | 168 | 151.2 Ų | 151.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -64 | 150.2 | 148.2 | -71.6 | -89.8 | 148.1 | 0 | 0 | 107.6 | ||||
| 57 | P | 56.6 | Low | 55.5 | Low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | -145.1 | 139.4 | 98.6 | 35.4 | -19.6 | 0 | 0 | 0 | 115.6 | |||||
| 58 | E | 53.3 | Low | 56.3 | Low | 161 Ų | 161 | 152 Ų | 152 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 31.8 | 140.6 | 122.4 | -56.6 | -163.9 | 160.7 | 0 | 0 | 121.4 | |||||
| 59 | E | 43.7 | Very low | 56.8 | Low | 182 Ų | 182 | 152.8 Ų | 152.8 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 53.2 | 111.5 | 156.6 | -64.5 | -166.1 | 152.8 | 0 | 0 | 118.7 | ||||
| 60 | L | 47.8 | Very low | 57.4 | Low | 160 Ų | 160 | 155.4 Ų | 155.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | -152.4 | 101.3 | 127 | -107.8 | 175.6 | 0 | 0 | 0 | 111.8 | |||||
| 61 | L | 47.4 | Very low | 57.3 | Low | 144 Ų | 144 | 157.7 Ų | 157.7 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | 33.8 | 126 | 144.8 | -64.7 | 170.7 | 0 | 0 | 0 | 120.7 | E63 | L61-E63 PolarHBondContact O-N 3.05Š| ||
| 62 | L | 44.2 | Very low | 57.6 | Low | 173 Ų | 173 | 158.9 Ų | 158.9 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -44.7 | 116.2 | 146.8 | -90.2 | 64.7 | 0 | 0 | 0 | 110.5 | ||||
| 63 | E | 64.2 | Low | 58.5 | Low | 182 Ų | 182 | 161.1 Ų | 161.1 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 130.8 | 152.1 | -66.7 | -164.9 | 159.9 | 0 | 0 | 108.4 | L61 | L61-E63 PolarHBondContact O-N 3.05Š|
| 64 | P | 61.1 | Low | 59.2 | Low | 118 Ų | 118 | 158.3 Ų | 158.3 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.7 | -176.7 | 30.1 | -34.3 | 0 | 0 | 0 | 111.1 | ||
| 65 | E | 69.6 | Low | 60.2 | Low | 184 Ų | 184 | 155.8 Ų | 155.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.5 | 172.5 | -66 | -162 | 146.4 | 0 | 0 | 110.5 | E67 | E65-E67 PolarHBondContact O-N 2.85Š|
| 66 | P | 67.2 | Low | 60.9 | Low | 124 Ų | 124 | 157.5 Ų | 157.5 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.8 | 175 | 28 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 67 | E | 68 | Low | 61.2 | Low | 176 Ų | 176 | 155.7 Ų | 155.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 152.3 | 178.3 | -67.2 | -170.4 | 152.5 | 0 | 0 | 112.2 | E65 E69 | E65-E67 PolarHBondContact O-N 2.85Å; E67-E69 PolarHBondContact O-N 3.42Å; E67-E69 VanDerWaalsContact O-N 3.11Å |
| 68 | P | 66.3 | Low | 61.5 | Low | 129 Ų | 129 | 162.1 Ų | 162.1 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -67.9 | 109.7 | 176.4 | 28.1 | -34.3 | 0 | 0 | 0 | 110.8 | ||||
| 69 | E | 67.6 | Low | 62.1 | Low | 183 Ų | 183 | 158.6 Ų | 158.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -62.8 | 144.7 | 172 | -71.1 | -159.1 | 155.3 | 0 | 0 | 111.5 | E67 | E67-E69 PolarHBondContact O-N 3.42Å; E67-E69 VanDerWaalsContact O-N 3.11Å | ||
| 70 | P | 60.7 | Low | 63.5 | Low | 115 Ų | 115 | 155.6 Ų | 155.6 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -72.3 | 152.6 | -175.1 | 30.4 | -36 | 0 | 0 | 0 | 112.7 | E72 | P70-E72 PolarHBondContact O-N 3.15Š| ||
| 71 | E | 58.7 | Low | 64.6 | Low | 201 Ų | 201 | 154.1 Ų | 154.1 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -57.7 | 101.7 | 179.6 | -58.8 | 174 | 168.6 | 0 | 0 | 112.2 | ||||
| 72 | E | 56.7 | Low | 65.2 | Low | 194 Ų | 194 | 150.7 Ų | 150.7 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 126 | 169.1 | -76.1 | -156.7 | 136.1 | 0 | 0 | 111.2 | P70 | P70-E72 PolarHBondContact O-N 3.15Š|
| 73 | E | 67.8 | Low | 66.1 | Low | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.4 | 176.6 | -67.5 | -171.7 | 134.4 | 0 | 0 | 112.1 | ||
| 74 | P | 74.4 | Confident | 66.4 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.6 | 174.8 | 25.8 | -34.1 | 0 | 0 | 0 | 111.2 | R76 | P74-R76 PolarHBondContact O-N 3.36Š|
| 75 | P | 70.3 | Confident | 66.3 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.8 | -172.2 | 25.2 | -34.4 | 0 | 0 | 0 | 112 | ||
| 76 | R | 67.9 | Low | 65.9 | Low | 207 Ų | 207 | 140 Ų | 140 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.7 | 175.9 | -59.4 | 177.9 | -169.6 | -133.9 | -4.4 | 110.6 | P74 R78 | P74-R76 PolarHBondContact O-N 3.36Å; R76-R78 PolarHBondContact O-N 2.88Å |
| 77 | P | 71.4 | Confident | 65.3 | Low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.9 | 178.2 | 25.1 | -33.4 | 0 | 0 | 0 | 110.3 | A79 | P77-A79 PolarHBondContact O-N 3.43Š|
| 78 | R | 64 | Low | 64.8 | Low | 246 Ų | 246 | 135.7 Ų | 135.7 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 126.6 | 174.4 | -69.7 | -179.2 | 177 | -125.3 | 0.7 | 109.2 | R76 | R76-R78 PolarHBondContact O-N 2.88Š|
| 79 | A | 65.5 | Low | 64.2 | Low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P77 | P77-A79 PolarHBondContact O-N 3.43Š|
| 80 | P | 72.7 | Confident | 63.6 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65 | 143.8 | 171.6 | 28.3 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 81 | P | 71.1 | Confident | 63 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.1 | -178.8 | 27.4 | -34.2 | 0 | 0 | 0 | 112 | ||
| 82 | G | 59 | Low | 63.2 | Low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 168.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 83 | A | 63.3 | Low | 63.2 | Low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 84 | P | 70.9 | Confident | 62.3 | Low | 128 Ų | 128 | 116.8 Ų | 116.8 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.3 | 161.5 | 30.9 | -31.2 | 0 | 0 | 0 | 110.7 | ||
| 85 | G | 58.9 | Low | 61.2 | Low | 71 Ų | 71 | 116.3 Ų | 116.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 168.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 86 | P | 61.8 | Low | 60.1 | Low | 136 Ų | 136 | 118.4 Ų | 118.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 145.6 | -163.5 | 35.7 | -35.4 | 0 | 0 | 0 | 116.9 | ||
| 87 | G | 54.2 | Low | 59.3 | Low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 88 | 176.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 88 | P | 57.9 | Low | 58.3 | Low | 136 Ų | 136 | 118.9 Ų | 118.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | cis | -131.7 | 164.3 | -22.8 | 39.3 | -25.3 | 0 | 0 | 0 | 113.5 | ||||
| 89 | G | 52.7 | Low | 57.9 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 158.4 | 103.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 90 | S | 55.4 | Low | 57 | Low | 131 Ų | 131 | 121.6 Ų | 121.6 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | 44 | 122.9 | 138.7 | 60.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 91 | G | 47.8 | Very low | 55.9 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 149.9 | 103.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | A | 63 | Low | 55.1 | Low | 99 Ų | 99 | 123.5 Ų | 123.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -100.8 | -164 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 93 | P | 56.4 | Low | 54.3 | Low | 126 Ų | 126 | 122.6 Ų | 122.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -139 | 176.2 | -14.9 | 37.5 | -18.3 | 0 | 0 | 0 | 116.2 | ||||
| 94 | G | 50.7 | Low | 53.5 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 80 | 150.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 95 | S | 50.8 | Low | 52.4 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | cis | -156.9 | 155.5 | 2.3 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 96 | Q | 46.1 | Very low | 51.7 | Low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | 25.3 | 145.2 | 131.9 | -73.6 | 162.6 | -43.2 | 0 | 0 | 120.7 | ||||
| 97 | E | 51.5 | Low | 50.8 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | cis | -144.6 | 140.8 | 11.6 | -89.5 | 120.4 | -153.3 | 0 | 0 | 108.4 | ||||
| 98 | E | 51.6 | Low | 50.5 | Low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 51.5 | 105.3 | 93.6 | -69.2 | -171.4 | -164.7 | 0 | 0 | 117.9 | |||||
| 99 | E | 53.8 | Low | 49.9 | Very low | 201 Ų | 201 | 132.9 Ų | 132.9 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -144.8 | 152.3 | 148.9 | -77.8 | -160.2 | 166.9 | 0 | 0 | 111.3 | ||||
| 100 | E | 46.8 | Very low | 49.5 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -77.6 | 149.3 | -149.2 | -61 | 167.3 | 127 | 0 | 0 | 119.6 | ||||
| 101 | E | 51.3 | Low | 48.9 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | -1 | 157.8 | 127.8 | -86.8 | -78.8 | 124.3 | 0 | 0 | 118.7 | G103 | E101-G103 PolarHBondContact OE2-N 2.82Š| |||
| 102 | P | 53.6 | Low | 48.6 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | cis | -151.8 | 151.4 | 47.4 | 39.5 | -17 | 0 | 0 | 0 | 122.1 | ||||
| 103 | G | 41.3 | Very low | 47.8 | Very low | 53 Ų | 53 | 134.1 Ų | 134.1 | 55% | 0.546 | 80% | 0.802 | S | S | . | * | 96.9 | 115.3 | 119.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | E101 | E101-G103 PolarHBondContact OE2-N 2.82Š| |||
| 104 | L | 46.6 | Very low | 47.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -157.8 | 93.3 | 145.1 | -115 | 162.7 | 0 | 0 | 0 | 112.6 | ||||
| 105 | V | 49.2 | Very low | 47.6 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 29 | 114.2 | 151.6 | -179.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 106 | E | 42.5 | Very low | 48.1 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -63.8 | 151.2 | 168 | -57.5 | 177 | 133.9 | 0 | 0 | 113.3 | ||||
| 107 | G | 44.4 | Very low | 49.3 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -164 | 74.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 108 | D | 46.5 | Very low | 49.7 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 64.6 | 120.1 | 160.8 | -142.6 | 64.6 | 0 | 0 | 0 | 119.2 | ||||
| 109 | P | 45.7 | Very low | 50.1 | Low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -99.4 | 123.1 | 177.9 | 35.7 | -29.1 | 0 | 0 | 0 | 113 | ||||
| 110 | G | 44 | Very low | 51 | Low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -162.4 | 143.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | D | 44.1 | Very low | 52.4 | Low | 174 Ų | 174 | 121.7 Ų | 121.7 | 93% | 0.93 | 73% | 0.728 | S | S | * | * | trans | 42.8 | 123.5 | 174.1 | -75.5 | 19.3 | 0 | 0 | 0 | 117.8 | ||||
| 112 | G | 41.6 | Very low | 53.4 | Low | 56 Ų | 56 | 119 Ų | 119 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | cis | 159 | 137.6 | 9.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | I114 | G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 2.68Å | ||
| 113 | A | 46.3 | Very low | 54.6 | Low | 112 Ų | 112 | 121 Ų | 121 | 93% | 0.926 | 71% | 0.714 | S | S | * | * | trans | -72.8 | 88.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 114 | I | 49.6 | Very low | 56.7 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 61% | 0.605 | 71% | 0.71 | S | S | * | * | trans | -102.4 | 110.2 | 169.9 | -50.1 | -179.7 | 0 | 0 | 0 | 107 | G112 D116 | G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 2.68Å; I114-D116 VanDerWaalsContact CG2-OD1 3.23Å; I114-D116 WeakPolarHBondContact CG2-OD1 3.23Å; I114-D116 PolarHBondContact O-N 3.15Å | ||
| 115 | E | 53 | Low | 58.2 | Low | 186 Ų | 186 | 122.3 Ų | 122.3 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -70.8 | 75 | 166.7 | -65.5 | 171.8 | 166.3 | 0 | 0 | 107.6 | P117 | E115-P117 VanDerWaalsContact O-CD 3.22Å; E115-P117 WeakPolarHBondContact O-CD 3.4Å; E115-P117 VanDerWaalsContact O-N 3.16Å | ||
| 116 | D | 60.2 | Low | 59.7 | Low | 76 Ų | 76 | 118.9 Ų | 118.9 | 41% | 0.406 | 68% | 0.682 | S | S | . | * | trans | -64.7 | 113 | -176.8 | -84.1 | -42.5 | 0 | 0 | 0 | 110 | I114 E118 L119 | I114-D116 VanDerWaalsContact CG2-OD1 3.23Å; I114-D116 WeakPolarHBondContact CG2-OD1 3.23Å; I114-D116 PolarHBondContact O-N 3.15Å; D116-E118 PolarHBondContact O-N 3.08Å; D116-L119 HydrophobicContact CB-CD1 4.17Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 3.35Å | ||
| 117 | P | 71.1 | Confident | 61.7 | Low | 95 Ų | 95 | 117.1 Ų | 117.1 | 62% | 0.617 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.3 | -18.5 | -177.3 | 26.7 | -35 | 0 | 0 | 0 | 112.3 | E115 A121 | E115-P117 VanDerWaalsContact O-CD 3.22Å; E115-P117 WeakPolarHBondContact O-CD 3.4Å; E115-P117 VanDerWaalsContact O-N 3.16Å; P117-A121 WeakPolarHBondContact O-CB 3.22Å; P117-A121 PolarHBondContact O-N 3.05Å; P117-A121 VanDerWaalsContact O-N 3.08Å |
| 118 | E | 61.3 | Low | 63.6 | Low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.6 | -34.2 | 173.3 | -60.7 | -164.3 | 157.5 | 0 | 0 | 112.7 | D116 A121 I122 | D116-E118 PolarHBondContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.97Å; E118-I122 WeakPolarHBondContact O-CD1 3.42Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 3.47Å |
| 119 | L | 58.5 | Low | 65 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 60% | 0.597 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.4 | -38.1 | 178 | -69.2 | 178.5 | 0 | 0 | 0 | 111.6 | D116 I122 K123 | D116-L119 HydrophobicContact CB-CD1 4.17Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 3.35Å; L119-I122 PolarHBondContact O-N 3.01Å; L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.94Å |
| 120 | E | 72.8 | Confident | 66.6 | Low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.1 | -42.5 | 171.9 | -63.1 | -158.4 | 145.1 | 0 | 0 | 111.6 | I122 K123 A124 | E120-I122 PolarHBondContact O-N 3.17Å; E120-K123 PolarHBondContact O-N 3.42Å; E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.06Å |
| 121 | A | 76.9 | Confident | 68.5 | Low | 59 Ų | 59 | 118.6 Ų | 118.6 | 49% | 0.488 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.7 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P117 E118 R125 | P117-A121 WeakPolarHBondContact O-CB 3.22Å; P117-A121 PolarHBondContact O-N 3.05Å; P117-A121 VanDerWaalsContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.97Å; A121-R125 WeakPolarHBondContact O-CB 3.43Å; A121-R125 PolarHBondContact O-N 2.85Å |
| 122 | I | 72.1 | Confident | 70.2 | Confident | 106 Ų | 106 | 116.6 Ų | 116.6 | 54% | 0.544 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -45.3 | 174.6 | -69.7 | 162.7 | 0 | 0 | 0 | 110.5 | E118 L119 E120 A124 R125 V126 | E118-I122 WeakPolarHBondContact O-CD1 3.42Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 3.47Å; L119-I122 PolarHBondContact O-N 3.01Å; E120-I122 PolarHBondContact O-N 3.17Å; I122-A124 PolarHBondContact O-N 3.25Å; I122-R125 PolarHBondContact O-N 3.49Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.46Å |
| 123 | K | 78.1 | Confident | 72 | Confident | 168 Ų | 168 | 116.6 Ų | 116.6 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 179.4 | -171.1 | 175.9 | -178.7 | -179.5 | 0 | 112.5 | L119 E120 V126 R127 | L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.94Å; E120-K123 PolarHBondContact O-N 3.42Å; K123-V126 PolarHBondContact O-N 3.25Å; K123-R127 PolarHBondContact O-N 3.29Å; K123-R127 VanDerWaalsContact O-N 3.15Å |
| 124 | A | 86 | Confident | 73.9 | Confident | 56 Ų | 56 | 117.6 Ų | 117.6 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -44.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E120 I122 V126 R127 E128 | E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.06Å; I122-A124 PolarHBondContact O-N 3.25Å; A124-V126 PolarHBondContact O-N 3.48Å; A124-R127 WeakPolarHBondContact O-CB 3.4Å; A124-R127 PolarHBondContact O-N 2.97Å; A124-E128 PolarHBondContact O-N 2.88Å |
| 125 | R | 77.7 | Confident | 75.5 | Confident | 191 Ų | 191 | 117.8 Ų | 117.8 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.6 | -35.8 | 178.9 | -166.8 | -177.5 | -174.3 | -172.6 | 3 | 113.5 | A121 I122 R127 M129 | A121-R125 WeakPolarHBondContact O-CB 3.43Å; A121-R125 PolarHBondContact O-N 2.85Å; I122-R125 PolarHBondContact O-N 3.49Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 PolarHBondContact O-N 3.21Å; R125-M129 VanDerWaalsContact O-N 3.14Å |
| 126 | V | 82.1 | Confident | 76.7 | Confident | 64 Ų | 64 | 113.9 Ų | 113.9 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.8 | -44 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | I122 K123 A124 M129 E130 | I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.46Å; K123-V126 PolarHBondContact O-N 3.25Å; A124-V126 PolarHBondContact O-N 3.48Å; V126-M129 PolarHBondContact O-N 3Å; V126-E130 HydrophobicContact CG1-CG 4.42Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.21Å |
| 127 | R | 84.3 | Confident | 77.8 | Confident | 161 Ų | 161 | 116.6 Ų | 116.6 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -45.9 | 177.7 | -171.8 | -173.9 | -174.1 | 141.8 | 13.3 | 113 | K123 A124 R125 M129 E130 E131 | K123-R127 PolarHBondContact O-N 3.29Å; K123-R127 VanDerWaalsContact O-N 3.15Å; A124-R127 WeakPolarHBondContact O-CB 3.4Å; A124-R127 PolarHBondContact O-N 2.97Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 2.91Å; R127-E130 PolarHBondContact O-N 3.48Å; R127-E131 WeakPolarHBondContact CG-OE1 3.42Å; R127-E131 IonicContact CZ-OE1 3.96Å; R127-E131 IonicContact NE-OE1 3Å; R127-E131 PolarHBondContact NE-OE1 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.15Å |
| 128 | E | 83.9 | Confident | 78.4 | Confident | 134 Ų | 134 | 118.5 Ų | 118.5 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.7 | -41.1 | 174.9 | -73.4 | -174.7 | 144.8 | 0 | 0 | 111.4 | A124 E131 E132 | A124-E128 PolarHBondContact O-N 2.88Å; E128-E131 PolarHBondContact O-N 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.42Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.14Å |
| 129 | M | 74.7 | Confident | 79.3 | Confident | 124 Ų | 124 | 116.9 Ų | 116.9 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.6 | -31.8 | 178.2 | -170.9 | 165.2 | 57.8 | 0 | 0 | 113.2 | R125 V126 R127 A133 | R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 PolarHBondContact O-N 3.21Å; R125-M129 VanDerWaalsContact O-N 3.14Å; V126-M129 PolarHBondContact O-N 3Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 2.91Å; M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.22Å |
| 130 | E | 79.6 | Confident | 80.2 | Confident | 117 Ų | 117 | 117 Ų | 117 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -46.7 | 170.6 | -73.1 | 173.4 | 164.6 | 0 | 0 | 111.1 | V126 R127 E132 A133 E134 | V126-E130 HydrophobicContact CG1-CG 4.42Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.21Å; R127-E130 PolarHBondContact O-N 3.48Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.9Å; E130-A133 PolarHBondContact O-N 2.97Å; E130-A133 VanDerWaalsContact O-N 3.15Å; E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3Å |
| 131 | E | 85.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 113.2 Ų | 113.2 | 38% | 0.383 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -29.8 | 177.7 | -69.6 | 179.6 | -160.6 | 0 | 0 | 113 | R127 E128 K135 | R127-E131 WeakPolarHBondContact CG-OE1 3.42Å; R127-E131 IonicContact CZ-OE1 3.96Å; R127-E131 IonicContact NE-OE1 3Å; R127-E131 PolarHBondContact NE-OE1 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.15Å; E128-E131 PolarHBondContact O-N 3.38Å; E131-K135 WeakPolarHBondContact O-CD 3.48Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 3.01Å |
| 132 | E | 78 | Confident | 80.6 | Confident | 131 Ų | 131 | 114.6 Ų | 114.6 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.3 | -40.8 | 169.4 | -75.6 | -171.4 | 160.5 | 0 | 0 | 112.3 | E128 E130 K135 L136 | E128-E132 WeakPolarHBondContact O-CB 3.42Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.14Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.9Å; E132-K135 PolarHBondContact O-N 3.47Å; E132-L136 WeakPolarHBondContact O-CB 3.5Å; E132-L136 PolarHBondContact O-N 3.19Å |
| 133 | A | 79.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 112.7 Ų | 112.7 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M129 E130 L136 K137 | M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.22Å; E130-A133 PolarHBondContact O-N 2.97Å; E130-A133 VanDerWaalsContact O-N 3.15Å; A133-L136 PolarHBondContact O-N 3.15Å; A133-K137 WeakPolarHBondContact O-CB 3.4Å; A133-K137 PolarHBondContact O-N 3.48Å |
| 134 | E | 86.1 | Confident | 80.3 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 174.5 | -73.8 | -174.1 | 163.5 | 0 | 0 | 111.7 | E130 L136 K137 E138 | E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.37Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.01Å; E134-K137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 3.43Å |
| 135 | K | 84.1 | Confident | 79.5 | Confident | 123 Ų | 123 | 114.5 Ų | 114.5 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 175 | -73.1 | 166.8 | -172.4 | 146.9 | 0 | 112.7 | E131 E132 K137 E138 L139 | E131-K135 WeakPolarHBondContact O-CD 3.48Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 3.01Å; E132-K135 PolarHBondContact O-N 3.47Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K135-E138 PolarHBondContact O-N 2.89Å; K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 2.89Å |
| 136 | L | 78.2 | Confident | 78.7 | Confident | 103 Ų | 103 | 111.4 Ų | 111.4 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 173.8 | -92.5 | 156.7 | 0 | 0 | 0 | 112 | E132 A133 E134 Q140 | E132-L136 WeakPolarHBondContact O-CB 3.5Å; E132-L136 PolarHBondContact O-N 3.19Å; A133-L136 PolarHBondContact O-N 3.15Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.37Å; L136-Q140 WeakPolarHBondContact O-CB 3.4Å; L136-Q140 VanDerWaalsContact O-CG 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.21Å; L136-Q140 PolarHBondContact O-N 3.15Å |
| 137 | K | 83 | Confident | 77.4 | Confident | 133 Ų | 133 | 114.8 Ų | 114.8 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.1 | -38.6 | 176.3 | -170.2 | -179.6 | -178.9 | -175.3 | 0 | 112.3 | A133 E134 K135 Q140 N141 | A133-K137 WeakPolarHBondContact O-CB 3.4Å; A133-K137 PolarHBondContact O-N 3.48Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.01Å; E134-K137 VanDerWaalsContact O-N 3.1Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K137-Q140 PolarHBondContact O-N 3.42Å; K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 3.39Å; K137-N141 PolarHBondContact O-ND2 3.1Å |
| 138 | E | 84.6 | Confident | 76.2 | Confident | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -45.3 | 172.7 | -72.9 | -169.3 | 149.2 | 0 | 0 | 111.8 | E134 K135 Q140 N141 E142 | E134-E138 PolarHBondContact O-N 3.43Å; K135-E138 PolarHBondContact O-N 2.89Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.96Å; E138-N141 PolarHBondContact O-N 3.46Å; E138-E142 WeakPolarHBondContact O-CB 3.17Å; E138-E142 PolarHBondContact O-N 2.95Å |
| 139 | L | 80 | Confident | 74.8 | Confident | 115 Ų | 115 | 115.3 Ų | 115.3 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.4 | -40.6 | 174.1 | -84.2 | 163.6 | 0 | 0 | 0 | 112.4 | K135 V143 | K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-CB 3.32Å; L139-V143 WeakPolarHBondContact O-CB 3.45Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 2.86Å |
| 140 | Q | 77.6 | Confident | 73.7 | Confident | 116 Ų | 116 | 113.7 Ų | 113.7 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.7 | -48 | 174.3 | -75.8 | 173.7 | 6.2 | 0 | 0 | 111.8 | L136 K137 E138 E142 V143 E144 | L136-Q140 WeakPolarHBondContact O-CB 3.4Å; L136-Q140 VanDerWaalsContact O-CG 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.21Å; L136-Q140 PolarHBondContact O-N 3.15Å; K137-Q140 PolarHBondContact O-N 3.42Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.96Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.43Å; Q140-V143 PolarHBondContact O-N 2.96Å; Q140-E144 WeakPolarHBondContact O-CB 3.44Å; Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.41Å |
| 141 | N | 79.1 | Confident | 72.7 | Confident | 69 Ų | 69 | 113.6 Ų | 113.6 | 37% | 0.369 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.8 | -37.8 | 177.5 | -71.1 | -22.1 | 0 | 0 | 0 | 112.6 | K137 E138 K145 | K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 3.39Å; K137-N141 PolarHBondContact O-ND2 3.1Å; E138-N141 PolarHBondContact O-N 3.46Å; N141-K145 WeakPolarHBondContact O-CB 3.46Å; N141-K145 VanDerWaalsContact O-CG 3.26Å; N141-K145 WeakPolarHBondContact O-CG 3.25Å; N141-K145 PolarHBondContact O-N 3.21Å |
| 142 | E | 78.4 | Confident | 71.2 | Confident | 88 Ų | 88 | 114.9 Ų | 114.9 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.2 | -41.8 | 178.1 | -173.4 | 56 | -152.3 | 0 | 0 | 111.3 | E138 Q140 E144 K145 Q146 | E138-E142 WeakPolarHBondContact O-CB 3.17Å; E138-E142 PolarHBondContact O-N 2.95Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.43Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-E144 PolarHBondContact O-N 3.47Å; E142-K145 PolarHBondContact O-N 3.4Å; E142-Q146 WeakPolarHBondContact O-CB 3.46Å; E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.45Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å |
| 143 | V | 76.3 | Confident | 69.5 | Low | 66 Ų | 66 | 115.3 Ų | 115.3 | 40% | 0.4 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62 | -41.1 | 172.3 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L139 Q140 Q146 M147 | L139-V143 VanDerWaalsContact O-CB 3.32Å; L139-V143 WeakPolarHBondContact O-CB 3.45Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 2.86Å; Q140-V143 PolarHBondContact O-N 2.96Å; V143-Q146 PolarHBondContact O-N 3.29Å; V143-M147 HydrophobicContact CG1-CE 3.54Å; V143-M147 HydrophobicContact CG1-CG 4.19Å; V143-M147 HydrophobicContact CG1-SD 3.64Å; V143-M147 VanDerWaalsContact O-CB 3.25Å; V143-M147 WeakPolarHBondContact O-CB 3.45Å; V143-M147 WeakPolarHBondContact O-CG 3.41Å; V143-M147 PolarHBondContact O-N 2.89Å |
| 144 | E | 68 | Low | 67.9 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.6 | -43.8 | 174.9 | -76.4 | -178.7 | 177.4 | 0 | 0 | 112.3 | Q140 E142 Q146 M147 N148 | Q140-E144 WeakPolarHBondContact O-CB 3.44Å; Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.41Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-E144 PolarHBondContact O-N 3.47Å; E144-Q146 PolarHBondContact O-N 3.08Å; E144-M147 PolarHBondContact O-N 3.24Å; E144-N148 WeakPolarHBondContact O-CB 3.29Å; E144-N148 PolarHBondContact O-N 2.97Å |
| 145 | K | 68.7 | Low | 66 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61 | -43.6 | 174.6 | -75.9 | 170 | -174.9 | 173.6 | 0 | 112.3 | N141 E142 N148 | N141-K145 WeakPolarHBondContact O-CB 3.46Å; N141-K145 VanDerWaalsContact O-CG 3.26Å; N141-K145 WeakPolarHBondContact O-CG 3.25Å; N141-K145 PolarHBondContact O-N 3.21Å; E142-K145 PolarHBondContact O-N 3.4Å; K145-N148 PolarHBondContact O-N 3.28Å |
| 146 | Q | 60.7 | Low | 63.9 | Low | 126 Ų | 126 | 117 Ų | 117 | 59% | 0.589 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71 | -37.4 | 178.7 | -69 | -178.2 | 18.2 | 0 | 0 | 112 | E142 V143 E144 N148 M149 | E142-Q146 WeakPolarHBondContact O-CB 3.46Å; E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.45Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å; V143-Q146 PolarHBondContact O-N 3.29Å; E144-Q146 PolarHBondContact O-N 3.08Å; Q146-N148 VanDerWaalsContact C-N 3.31Å; Q146-N148 PolarHBondContact O-N 3.01Å; Q146-M149 PolarHBondContact O-N 2.61Å |
| 147 | M | 55.8 | Low | 62.5 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.4 | -23.8 | 176.3 | -73.7 | -177.9 | 176.3 | 0 | 0 | 113.3 | V143 E144 M149 | V143-M147 HydrophobicContact CG1-CE 3.54Å; V143-M147 HydrophobicContact CG1-CG 4.19Å; V143-M147 HydrophobicContact CG1-SD 3.64Å; V143-M147 VanDerWaalsContact O-CB 3.25Å; V143-M147 WeakPolarHBondContact O-CB 3.45Å; V143-M147 WeakPolarHBondContact O-CG 3.41Å; V143-M147 PolarHBondContact O-N 2.89Å; E144-M147 PolarHBondContact O-N 3.24Å; M147-M149 PolarHBondContact O-N 2.88Å |
| 148 | N | 58.6 | Low | 61.1 | Low | 144 Ų | 144 | 113.7 Ų | 113.7 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -2.3 | 173 | -88.4 | 4.1 | 0 | 0 | 0 | 114.8 | E144 K145 Q146 | E144-N148 WeakPolarHBondContact O-CB 3.29Å; E144-N148 PolarHBondContact O-N 2.97Å; K145-N148 PolarHBondContact O-N 3.28Å; Q146-N148 VanDerWaalsContact C-N 3.31Å; Q146-N148 PolarHBondContact O-N 3.01Å |
| 149 | M | 55.5 | Low | 59.6 | Low | 163 Ų | 163 | 112.9 Ų | 112.9 | 80% | 0.803 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 1.6 | 178.7 | -76.1 | -66.9 | -178.8 | 0 | 0 | 115 | Q146 M147 | Q146-M149 PolarHBondContact O-N 2.61Å; M147-M149 PolarHBondContact O-N 2.88Å |
| 150 | S | 51.2 | Low | 58.5 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -163.7 | 125.1 | 163.9 | -85.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 151 | P | 58.1 | Low | 58 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -67.9 | 135.8 | 174.2 | 28.9 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 152 | P | 52.9 | Low | 58 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | trans | -65.8 | 132.6 | -179.7 | 25.3 | -33.7 | 0 | 0 | 0 | 111.5 | G154 | P152-G154 PolarHBondContact O-N 3.04Š| ||
| 153 | P | 43.2 | Very low | 58.2 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 92% | 0.916 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 87.9 | 179.1 | 31.6 | -34.3 | 0 | 0 | 0 | 110 | ||
| 154 | G | 46.1 | Very low | 58.6 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.1 | -8.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | P152 | P152-G154 PolarHBondContact O-N 3.04Š|
| 155 | N | 45.3 | Very low | 59.5 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | trans | -138 | 96.7 | -176.9 | -135.5 | -5.8 | 0 | 0 | 0 | 112 | G157 | N155-G157 PolarHBondContact O-N 3.49Š| ||
| 156 | A | 41.3 | Very low | 60.4 | Low | 115 Ų | 115 | 113.1 Ų | 113.1 | 95% | 0.95 | 66% | 0.664 | S | S | * | * | trans | -76.8 | 46.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 157 | G | 48 | Very low | 61.7 | Low | 46 Ų | 46 | 110.8 Ų | 110.8 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -83.7 | 157.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N155 V159 | N155-G157 PolarHBondContact O-N 3.49Å; G157-V159 PolarHBondContact O-N 2.9Å |
| 158 | P | 53.9 | Low | 63.4 | Low | 122 Ų | 122 | 109.3 Ų | 109.3 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.9 | 170.4 | 27.5 | -32.9 | 0 | 0 | 0 | 108.8 | I160 | P158-I160 PolarHBondContact O-N 3.27Å; P158-I160 VanDerWaalsContact O-N 3.14Å |
| 159 | V | 52.6 | Low | 64.9 | Low | 118 Ų | 118 | 103 Ų | 103 | 72% | 0.715 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 123.8 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | G157 M161 | G157-V159 PolarHBondContact O-N 2.9Å; V159-M161 PolarHBondContact O-N 3.47Å |
| 160 | I | 58 | Low | 66.7 | Low | 154 Ų | 154 | 96.1 Ų | 96.1 | 79% | 0.79 | 58% | 0.58 | S | S | * | * | trans | -79.2 | 69.5 | -179.5 | -49.3 | 178.9 | 0 | 0 | 0 | 107.5 | P158 S162 | P158-I160 PolarHBondContact O-N 3.27Å; P158-I160 VanDerWaalsContact O-N 3.14Å; I160-S162 PolarHBondContact O-N 2.94Å | ||
| 161 | M | 66.1 | Low | 68.7 | Low | 78 Ų | 78 | 94.5 Ų | 94.5 | 38% | 0.384 | 57% | 0.572 | S | S | . | * | trans | -46.4 | 140.7 | 164.4 | -72.7 | 165.8 | 163.4 | 0 | 0 | 108.5 | V159 E165 K166 | V159-M161 PolarHBondContact O-N 3.47Å; M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 4.18Å; M161-E165 VanDerWaalsContact CB-OE2 3.27Å; M161-E165 WeakPolarHBondContact CB-OE2 3.15Å; M161-K166 HydrophobicContact CB-CD 4.41Å; M161-K166 HydrophobicContact CB-CG 3.88Å; M161-K166 WeakPolarHBondContact O-CE 3.32Å; M161-K166 PolarHBondContact O-NZ 3.13Å | ||
| 162 | S | 79.9 | Confident | 70.4 | Confident | 44 Ų | 44 | 92.2 Ų | 92.2 | 31% | 0.308 | 55% | 0.549 | S | S | . | . | trans | -57.8 | 159.9 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 111 | I160 E164 E165 K166 | I160-S162 PolarHBondContact O-N 2.94Å; S162-E164 PolarHBondContact O-N 3.3Å; S162-E165 WeakPolarHBondContact CB-OE1 3.2Å; S162-E165 VanDerWaalsContact N-CD 3.34Å; S162-E165 PolarHBondContact N-OE1 3.48Å; S162-E165 PolarHBondContact N-OE2 3.18Å; S162-E165 PolarHBondContact O-N 2.99Å; S162-E165 WeakPolarHBondContact OG-CB 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.37Å; S162-E165 PolarHBondContact OG-N 3.49Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; S162-E165 PolarHBondContact OG-OE1 3.29Å; S162-K166 WeakPolarHBondContact O-CG 3.31Å; S162-K166 PolarHBondContact O-N 2.82Å | ||
| 163 | I | 82.7 | Confident | 72.5 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 57% | 0.569 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -33.1 | 177.2 | -62.6 | 176.2 | 0 | 0 | 0 | 109.8 | M167 | I163-M167 HydrophobicContact CG2-SD 4.13Å; I163-M167 WeakPolarHBondContact O-CB 3.44Å; I163-M167 VanDerWaalsContact O-CG 3.29Å; I163-M167 WeakPolarHBondContact O-CG 3.2Å; I163-M167 PolarHBondContact O-N 2.95Å |
| 164 | E | 84.6 | Confident | 75 | Confident | 151 Ų | 151 | 80.4 Ų | 80.4 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.5 | -53.6 | 178.3 | -62.4 | 178.4 | 173.9 | 0 | 0 | 111.1 | S162 K166 M167 E168 | S162-E164 PolarHBondContact O-N 3.3Å; E164-K166 VanDerWaalsContact C-N 3.27Å; E164-K166 PolarHBondContact O-N 3.36Å; E164-M167 CarbonylContact O-C 3.58Å; E164-M167 WeakPolarHBondContact O-CA 3.36Å; E164-M167 WeakPolarHBondContact O-CB 3.49Å; E164-M167 PolarHBondContact O-N 3.44Å; E164-E168 WeakPolarHBondContact O-CG 3.26Å; E164-E168 PolarHBondContact O-N 2.86Å |
| 165 | E | 86.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -52 | -44.6 | 173.1 | -76 | 150.3 | -123.3 | 0 | 0 | 112.3 | M161 S162 M167 E168 A169 | M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 4.18Å; M161-E165 VanDerWaalsContact CB-OE2 3.27Å; M161-E165 WeakPolarHBondContact CB-OE2 3.15Å; S162-E165 WeakPolarHBondContact CB-OE1 3.2Å; S162-E165 VanDerWaalsContact N-CD 3.34Å; S162-E165 PolarHBondContact N-OE1 3.48Å; S162-E165 PolarHBondContact N-OE2 3.18Å; S162-E165 PolarHBondContact O-N 2.99Å; S162-E165 WeakPolarHBondContact OG-CB 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.37Å; S162-E165 PolarHBondContact OG-N 3.49Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; S162-E165 PolarHBondContact OG-OE1 3.29Å; E165-M167 VanDerWaalsContact C-N 3.34Å; E165-M167 PolarHBondContact O-N 2.71Å; E165-E168 PolarHBondContact O-N 3.47Å; E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.31Å; E165-A169 PolarHBondContact O-N 2.66Å |
| 166 | K | 87.4 | Confident | 79.8 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.2 | -76 | 170.9 | 173.1 | 130.9 | 0 | 112 | M161 S162 E164 D170 | M161-K166 HydrophobicContact CB-CD 4.41Å; M161-K166 HydrophobicContact CB-CG 3.88Å; M161-K166 WeakPolarHBondContact O-CE 3.32Å; M161-K166 PolarHBondContact O-NZ 3.13Å; S162-K166 WeakPolarHBondContact O-CG 3.31Å; S162-K166 PolarHBondContact O-N 2.82Å; E164-K166 VanDerWaalsContact C-N 3.27Å; E164-K166 PolarHBondContact O-N 3.36Å; K166-D170 WeakPolarHBondContact O-CB 3.27Å; K166-D170 PolarHBondContact O-N 2.84Å |
| 167 | M | 87.9 | Confident | 82.5 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 38% | 0.384 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 176.1 | -77.6 | 177.9 | 50.3 | 0 | 0 | 112.3 | I163 E164 E165 A171 | I163-M167 HydrophobicContact CG2-SD 4.13Å; I163-M167 WeakPolarHBondContact O-CB 3.44Å; I163-M167 VanDerWaalsContact O-CG 3.29Å; I163-M167 WeakPolarHBondContact O-CG 3.2Å; I163-M167 PolarHBondContact O-N 2.95Å; E164-M167 CarbonylContact O-C 3.58Å; E164-M167 WeakPolarHBondContact O-CA 3.36Å; E164-M167 WeakPolarHBondContact O-CB 3.49Å; E164-M167 PolarHBondContact O-N 3.44Å; E165-M167 VanDerWaalsContact C-N 3.34Å; E165-M167 PolarHBondContact O-N 2.71Å; M167-A171 VanDerWaalsContact O-CB 3.31Å; M167-A171 WeakPolarHBondContact O-CB 3.06Å; M167-A171 PolarHBondContact O-N 2.81Å |
| 168 | E | 90.4 | Very high | 84.7 | Confident | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.8 | -42.8 | 176.1 | -63.7 | -146 | 115.9 | 0 | 0 | 112.9 | E164 E165 D170 A171 R172 K223 | E164-E168 WeakPolarHBondContact O-CG 3.26Å; E164-E168 PolarHBondContact O-N 2.86Å; E165-E168 PolarHBondContact O-N 3.47Å; E168-D170 VanDerWaalsContact C-N 3.35Å; E168-A171 PolarHBondContact O-N 3.14Å; E168-R172 PolarHBondContact O-N 3.05Å; E168-K223 IonicContact OE1-NZ 3.56Å; E168-K223 PolarHBondContact OE1-NZ 3.34Å; E168-K223 VanDerWaalsContact OE1-NZ 3.13Å |
| 169 | A | 91.8 | Very high | 86.7 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E165 A171 R172 S173 E219 | E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.31Å; E165-A169 PolarHBondContact O-N 2.66Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.65Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 2.87Å; A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.09Å; A169-S173 VanDerWaalsContact O-N 3.09Å; A169-S173 PolarHBondContact O-OG 3.48Å; A169-E219 WeakPolarHBondContact CB-OE1 3.47Å |
| 170 | D | 92.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 173.3 | -78.7 | -17.1 | 0 | 0 | 0 | 112 | K166 E168 R172 S173 K247 T249 | K166-D170 WeakPolarHBondContact O-CB 3.27Å; K166-D170 PolarHBondContact O-N 2.84Å; E168-D170 VanDerWaalsContact C-N 3.35Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.02Å; D170-S173 PolarHBondContact O-N 3.41Å; D170-S173 VanDerWaalsContact O-N 3.17Å; D170-K247 WeakPolarHBondContact OD1-CE 3.2Å; D170-K247 IonicContact OD1-NZ 3.69Å; D170-K247 PolarHBondContact OD1-NZ 3.21Å; D170-T249 WeakPolarHBondContact OD2-CA 3.23Å; D170-T249 WeakPolarHBondContact OD2-CB 3.34Å; D170-T249 PolarHBondContact OD2-OG1 2.89Å |
| 171 | A | 93.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.8 | -24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | M167 E168 A169 | M167-A171 VanDerWaalsContact O-CB 3.31Å; M167-A171 WeakPolarHBondContact O-CB 3.06Å; M167-A171 PolarHBondContact O-N 2.81Å; E168-A171 PolarHBondContact O-N 3.14Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.65Å |
| 172 | R | 94.5 | Very high | 91.7 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 25% | 0.249 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5.5 | 170.5 | -66.6 | -173.4 | -63.2 | 177.4 | 5.9 | 113.7 | E168 A169 D170 E219 F220 S221 K223 V226 | E168-R172 PolarHBondContact O-N 3.05Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 2.87Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.02Å; R172-E219 IonicContact NH2-OE1 3.93Å; R172-F220 WeakPolarHBondContact CB-O 3.49Å; R172-F220 PolarHBondContact O-N 2.84Å; R172-S221 WeakPolarHBondContact CD-O 3.11Å; R172-S221 PolarHBondContact NH1-O 3.17Å; R172-K223 HydrophobicContact CG-CB 4.4Å; R172-K223 HydrophobicContact CG-CG 3.48Å; R172-K223 VanDerWaalsContact CG-CG 3.48Å; R172-V226 WeakPolarHBondContact O-CG2 3.17Å |
| 173 | S | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 149.3 | -176.3 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | A169 D170 I218 K247 | A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.09Å; A169-S173 VanDerWaalsContact O-N 3.09Å; A169-S173 PolarHBondContact O-OG 3.48Å; D170-S173 PolarHBondContact O-N 3.41Å; D170-S173 VanDerWaalsContact O-N 3.17Å; S173-I218 CarbonylContact C-O 3.57Å; S173-I218 WeakPolarHBondContact CA-O 3.47Å; S173-I218 WeakPolarHBondContact CB-O 3.46Å; S173-K247 VanDerWaalsContact O-CB 3.23Å; S173-K247 WeakPolarHBondContact O-CB 3.24Å; S173-K247 PolarHBondContact O-N 2.87Å |
| 174 | I | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 154.6 | 167.1 | 56.7 | 170.6 | 0 | 0 | 0 | 111.7 | V176 F192 Y217 I218 F220 V226 V244 | I174-V176 HydrophobicContact CD1-CG2 3.86Å; I174-V176 HydrophobicContact CG1-CG2 4.21Å; I174-F192 HydrophobicContact CD1-CD1 3.88Å; I174-F192 HydrophobicContact CD1-CE1 3.7Å; I174-F192 HydrophobicContact CD1-CE2 4.48Å; I174-F192 HydrophobicContact CD1-CG 4.35Å; I174-F192 HydrophobicContact CD1-CZ 4.02Å; I174-Y217 VanDerWaalsContact O-CA 3.3Å; I174-Y217 WeakPolarHBondContact O-CA 3.32Å; I174-I218 HydrophobicContact CD1-CB 4.18Å; I174-I218 HydrophobicContact CD1-CD1 4.35Å; I174-I218 HydrophobicContact CG1-CB 3.81Å; I174-I218 PolarHBondContact N-O 3.1Å; I174-I218 PolarHBondContact O-N 2.69Å; I174-I218 VanDerWaalsContact O-N 3.12Å; I174-F220 HydrophobicContact CD1-CE2 3.69Å; I174-F220 HydrophobicContact CD1-CZ 3.86Å; I174-F220 HydrophobicContact CG1-CE2 3.76Å; I174-F220 HydrophobicContact CG1-CZ 4.36Å; I174-F220 HydrophobicContact CG2-CE2 4.07Å; I174-V226 HydrophobicContact CG2-CB 4.45Å; I174-V226 HydrophobicContact CG2-CG1 3.99Å; I174-V226 HydrophobicContact CG2-CG2 4.42Å; I174-V244 HydrophobicContact CB-CG1 4.24Å; I174-V244 HydrophobicContact CD1-CG1 3.92Å; I174-V244 HydrophobicContact CG2-CG1 4.29Å |
| 175 | Y | 96.9 | Very high | 93.4 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128 | 162.6 | 166.9 | -94.5 | 0 | 0 | 0 | 108.6 | F215 Y217 V244 I245 | Y175-F215 HydrophobicContact CE2-CB 3.68Å; Y175-F215 AromaticContact CE2-CD2 3.86Å; Y175-F215 HydrophobicContact CE2-CD2 3.86Å; Y175-F215 AromaticContact CE2-CG 3.94Å; Y175-F215 HydrophobicContact CE2-CG 3.94Å; Y175-Y217 HydrophobicContact CD2-CD1 4.28Å; Y175-Y217 AromaticContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CG-CE1 4.3Å; Y175-V244 WeakPolarHBondContact O-CA 3.49Å; Y175-I245 HydrophobicContact CD1-CB 4.28Å; Y175-I245 HydrophobicContact CD1-CD1 4.2Å; Y175-I245 HydrophobicContact CD1-CG1 4.32Å; Y175-I245 HydrophobicContact CE1-CD1 4.47Å; Y175-I245 PolarHBondContact N-O 3.37Å; Y175-I245 PolarHBondContact O-N 3.29Å |
| 176 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.6 | 173.5 | -166.7 | 0 | 0 | 0 | 0 | 108.3 | I174 V179 F192 F215 A216 I218 I242 K243 | I174-V176 HydrophobicContact CD1-CG2 3.86Å; I174-V176 HydrophobicContact CG1-CG2 4.21Å; V176-V179 HydrophobicContact CB-CG2 3.99Å; V176-V179 HydrophobicContact CG1-CG2 3.54Å; V176-F192 HydrophobicContact CG1-CE2 4.22Å; V176-F192 HydrophobicContact CG1-CZ 4.24Å; V176-F192 HydrophobicContact CG2-CE2 3.82Å; V176-F192 HydrophobicContact CG2-CZ 3.86Å; V176-F215 CarbonylContact O-C 3.58Å; V176-F215 WeakPolarHBondContact O-CA 3.45Å; V176-F215 WeakPolarHBondContact O-CB 3.49Å; V176-A216 PolarHBondContact N-O 2.76Å; V176-A216 PolarHBondContact O-N 2.79Å; V176-I218 HydrophobicContact CG2-CD1 3.88Å; V176-I218 HydrophobicContact CG2-CG1 4.25Å; V176-I242 HydrophobicContact CG1-CB 4.05Å; V176-I242 HydrophobicContact CG1-CD1 3.97Å; V176-I242 HydrophobicContact CG1-CG2 4.34Å; V176-K243 CarbonylContact C-O 3.57Å; V176-K243 WeakPolarHBondContact CA-O 3.39Å |
| 177 | G | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 164.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V179 I242 K243 | G177-V179 PolarHBondContact O-N 3.41Å; G177-I242 WeakPolarHBondContact O-CA 3.44Å; G177-K243 PolarHBondContact N-O 3.22Å; G177-K243 PolarHBondContact O-N 2.9Å |
| 178 | N | 96 | Very high | 94.6 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 43% | 0.428 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 58.7 | 21.8 | -174.8 | -162.7 | 36.4 | 0 | 0 | 0 | 114.4 | G214 R240 Q241 | N178-G214 PolarHBondContact N-O 3.23Å; N178-R240 PolarHBondContact OD1-NH2 2.99Å; N178-Q241 PolarHBondContact ND2-O 2.77Å |
| 179 | V | 95.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | trans | -60 | 144.7 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | V176 G177 A183 L188 G214 F237 I242 | V176-V179 HydrophobicContact CB-CG2 3.99Å; V176-V179 HydrophobicContact CG1-CG2 3.54Å; G177-V179 PolarHBondContact O-N 3.41Å; V179-A183 HydrophobicContact CG1-CB 3.44Å; V179-A183 VanDerWaalsContact CG1-CB 3.44Å; V179-L188 HydrophobicContact CG1-CD1 4.33Å; V179-L188 HydrophobicContact CG1-CD2 4.04Å; V179-L188 HydrophobicContact CG2-CD2 4.39Å; V179-G214 PolarHBondContact N-O 2.88Å; V179-G214 VanDerWaalsContact O-CA 3.28Å; V179-G214 WeakPolarHBondContact O-CA 3.17Å; V179-F237 HydrophobicContact CG1-CE1 4.23Å; V179-I242 HydrophobicContact CG2-CG2 4.44Å | ||
| 180 | D | 94.7 | Very high | 95 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | trans | -66.1 | 150.3 | 178.6 | -170.7 | 47.4 | 0 | 0 | 0 | 112.9 | G182 A183 R238 R240 | D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 PolarHBondContact OD2-N 3.22Å; D180-G182 VanDerWaalsContact OD2-N 3.1Å; D180-A183 VanDerWaalsContact O-CB 3.24Å; D180-A183 WeakPolarHBondContact O-CB 3.29Å; D180-A183 PolarHBondContact O-N 3.29Å; D180-R238 HydrophobicContact CB-CB 4.12Å; D180-R238 IonicContact OD2-CZ 3.95Å; D180-R238 IonicContact OD2-NE 3.71Å; D180-R238 PolarHBondContact OD2-NE 3.49Å; D180-R238 IonicContact OD2-NH2 2.95Å; D180-R240 IonicContact OD1-CZ 2.77Å; D180-R240 IonicContact OD1-NH1 2.78Å; D180-R240 PolarHBondContact OD1-NH1 3.33Å | ||
| 181 | Y | 94.2 | Very high | 95.1 | Very high | 141 Ų | 141 | 49.3 Ų | 49.3 | 55% | 0.553 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.6 | 179.8 | -59.5 | -62.5 | 0 | 0 | 0 | 113.1 | P212 | Y181-P212 HydrophobicContact CD1-CG 4.24Å; Y181-P212 WeakPolarHBondContact CD1-O 3.38Å; Y181-P212 WeakPolarHBondContact CE1-O 3.38Å; Y181-P212 WeakPolarHBondContact O-CG 3.36Å |
| 182 | G | 92.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D180 R238 | D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 PolarHBondContact OD2-N 3.22Å; D180-G182 VanDerWaalsContact OD2-N 3.1Å; G182-R238 PolarHBondContact O-NH1 3.21Å |
| 183 | A | 93.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | trans | -67.2 | 133.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V179 D180 E187 F237 | V179-A183 HydrophobicContact CG1-CB 3.44Å; V179-A183 VanDerWaalsContact CG1-CB 3.44Å; D180-A183 VanDerWaalsContact O-CB 3.24Å; D180-A183 WeakPolarHBondContact O-CB 3.29Å; D180-A183 PolarHBondContact O-N 3.29Å; A183-E187 WeakPolarHBondContact CA-OE2 3.35Å; A183-F237 HydrophobicContact CB-CE1 3.67Å; A183-F237 HydrophobicContact CB-CZ 4.02Å | ||
| 184 | T | 95.1 | Very high | 95 | Very high | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | trans | -93.4 | 166 | 172 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | E186 E187 L188 | T184-E186 VanDerWaalsContact C-N 3.34Å; T184-E187 PolarHBondContact N-OE2 3.43Å; T184-E187 VanDerWaalsContact OG1-CG 3.27Å; T184-E187 WeakPolarHBondContact OG1-CG 3.44Å; T184-E187 PolarHBondContact OG1-N 3.4Å; T184-E187 VanDerWaalsContact OG1-N 3.1Å; T184-L188 PolarHBondContact O-N 2.82Å | ||
| 185 | A | 94.4 | Very high | 94.9 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | L188 E189 V201 | A185-L188 PolarHBondContact O-N 2.78Å; A185-E189 WeakPolarHBondContact O-CB 3.27Å; A185-E189 PolarHBondContact O-N 3.44Å; A185-V201 HydrophobicContact CB-CB 4.15Å; A185-V201 HydrophobicContact CB-CG1 4.08Å |
| 186 | E | 95.7 | Very high | 94.7 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 72% | 0.724 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 178.2 | -61.5 | 167.3 | -179.6 | 0 | 0 | 112.2 | T184 L188 E189 A190 | T184-E186 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.36Å; E186-E189 PolarHBondContact O-N 3.4Å; E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.93Å |
| 187 | E | 95.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.8 | -74.5 | 170.6 | -179.3 | 0 | 0 | 112.2 | A183 T184 H191 F237 R238 | A183-E187 WeakPolarHBondContact CA-OE2 3.35Å; T184-E187 PolarHBondContact N-OE2 3.43Å; T184-E187 VanDerWaalsContact OG1-CG 3.27Å; T184-E187 WeakPolarHBondContact OG1-CG 3.44Å; T184-E187 PolarHBondContact OG1-N 3.4Å; T184-E187 VanDerWaalsContact OG1-N 3.1Å; E187-H191 WeakPolarHBondContact O-CB 3.35Å; E187-H191 PolarHBondContact O-N 3.33Å; E187-H191 VanDerWaalsContact O-N 3.1Å; E187-F237 HydrophobicContact CB-CE2 4.02Å; E187-F237 HydrophobicContact CB-CZ 3.83Å; E187-R238 IonicContact OE1-NH1 3.81Å; E187-R238 PolarHBondContact OE1-NH1 3.41Å; E187-R238 WeakPolarHBondContact OE2-CD 3.49Å; E187-R238 IonicContact OE2-CZ 3.64Å; E187-R238 IonicContact OE2-NE 2.66Å; E187-R238 IonicContact OE2-NH1 3.6Å; E187-R238 PolarHBondContact OE2-NH1 2.98Å |
| 188 | L | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 175.7 | -71.5 | 173.9 | 0 | 0 | 0 | 111.3 | V179 T184 A185 E186 H191 F192 V201 I203 A216 I218 F237 | V179-L188 HydrophobicContact CG1-CD1 4.33Å; V179-L188 HydrophobicContact CG1-CD2 4.04Å; V179-L188 HydrophobicContact CG2-CD2 4.39Å; T184-L188 PolarHBondContact O-N 2.82Å; A185-L188 PolarHBondContact O-N 2.78Å; E186-L188 PolarHBondContact O-N 3.36Å; L188-H191 PolarHBondContact O-N 3.48Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 2.99Å; L188-F192 VanDerWaalsContact O-N 3.13Å; L188-V201 HydrophobicContact CB-CG1 4.28Å; L188-V201 HydrophobicContact CD1-CG1 4.05Å; L188-I203 HydrophobicContact CD1-CD1 4Å; L188-I203 HydrophobicContact CD1-CG1 3.92Å; L188-A216 HydrophobicContact CD1-CB 3.78Å; L188-I218 HydrophobicContact CB-CD1 4.23Å; L188-F237 HydrophobicContact CD2-CE1 4.22Å; L188-F237 HydrophobicContact CD2-CE2 4.14Å; L188-F237 HydrophobicContact CD2-CZ 3.89Å; L188-F237 HydrophobicContact CG-CZ 4.29Å |
| 189 | E | 95.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 176 | -172.8 | 174.6 | 164.8 | 0 | 0 | 111 | A185 E186 H191 F192 H193 V198 V201 | A185-E189 WeakPolarHBondContact O-CB 3.27Å; A185-E189 PolarHBondContact O-N 3.44Å; E186-E189 PolarHBondContact O-N 3.4Å; E189-H191 VanDerWaalsContact C-N 3.34Å; E189-H191 PolarHBondContact O-N 3.49Å; E189-F192 CarbonylContact O-C 3.6Å; E189-F192 PolarHBondContact O-N 3.36Å; E189-H193 WeakPolarHBondContact O-CB 3.21Å; E189-H193 PolarHBondContact O-N 2.87Å; E189-V198 HydrophobicContact CG-CB 4.1Å; E189-V198 HydrophobicContact CG-CG1 4.37Å; E189-V198 HydrophobicContact CG-CG2 4.28Å; E189-V201 HydrophobicContact CB-CG2 4.23Å |
| 190 | A | 95 | Very high | 94.6 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E186 F192 | E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.93Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.19Å |
| 191 | H | 94.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 178 | -169 | 89.7 | 0 | 0 | 0 | 112.8 | E187 L188 E189 S235 F237 | E187-H191 WeakPolarHBondContact O-CB 3.35Å; E187-H191 PolarHBondContact O-N 3.33Å; E187-H191 VanDerWaalsContact O-N 3.1Å; L188-H191 PolarHBondContact O-N 3.48Å; E189-H191 VanDerWaalsContact C-N 3.34Å; E189-H191 PolarHBondContact O-N 3.49Å; H191-S235 PolarHBondContact NE2-OG 3.47Å; H191-F237 HydrophobicContact CB-CD2 4.2Å; H191-F237 HydrophobicContact CB-CE2 4.33Å; H191-F237 AromaticContact ND1-CD2 3.82Å |
| 192 | F | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -96.8 | -6 | -179.5 | -73.1 | -77.2 | 0 | 0 | 0 | 114.4 | I174 V176 L188 E189 A190 G194 C195 I218 F220 L232 I242 V244 | I174-F192 HydrophobicContact CD1-CD1 3.88Å; I174-F192 HydrophobicContact CD1-CE1 3.7Å; I174-F192 HydrophobicContact CD1-CE2 4.48Å; I174-F192 HydrophobicContact CD1-CG 4.35Å; I174-F192 HydrophobicContact CD1-CZ 4.02Å; V176-F192 HydrophobicContact CG1-CE2 4.22Å; V176-F192 HydrophobicContact CG1-CZ 4.24Å; V176-F192 HydrophobicContact CG2-CE2 3.82Å; V176-F192 HydrophobicContact CG2-CZ 3.86Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 2.99Å; L188-F192 VanDerWaalsContact O-N 3.13Å; E189-F192 CarbonylContact O-C 3.6Å; E189-F192 PolarHBondContact O-N 3.36Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.19Å; F192-G194 VanDerWaalsContact C-N 3.26Å; F192-G194 PolarHBondContact O-N 3.28Å; F192-C195 VanDerWaalsContact O-CB 3.31Å; F192-C195 WeakPolarHBondContact O-CB 3.25Å; F192-C195 PolarHBondContact O-N 3.24Å; F192-I218 HydrophobicContact CB-CD1 4.41Å; F192-I218 HydrophobicContact CD2-CD1 3.23Å; F192-I218 HydrophobicContact CE2-CD1 3.63Å; F192-I218 HydrophobicContact CG-CD1 3.94Å; F192-F220 HydrophobicContact CB-CE1 4.18Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CZ 4.32Å; F192-F220 HydrophobicContact CG-CZ 4.46Å; F192-L232 HydrophobicContact CD1-CD1 4.19Å; F192-L232 HydrophobicContact CE1-CB 4.35Å; F192-L232 HydrophobicContact CE1-CD1 4.32Å; F192-I242 HydrophobicContact CE2-CD1 4.06Å; F192-I242 HydrophobicContact CZ-CD1 3.72Å; F192-V244 HydrophobicContact CE1-CG1 4.34Å; F192-V244 HydrophobicContact CE1-CG2 3.95Å; F192-V244 HydrophobicContact CZ-CG2 3.72Å |
| 193 | H | 93.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.2 | -39.7 | -178.9 | -170.5 | 84 | 0 | 0 | 0 | 112.8 | E189 C195 G196 | E189-H193 WeakPolarHBondContact O-CB 3.21Å; E189-H193 PolarHBondContact O-N 2.87Å; H193-C195 PolarHBondContact O-N 3.34Å; H193-C195 VanDerWaalsContact O-N 3.13Å; H193-G196 PolarHBondContact O-N 2.76Å; H193-G196 VanDerWaalsContact O-N 3.16Å |
| 194 | G | 92.5 | Very high | 94.7 | Very high | 80 Ų | 80 | 61.2 Ų | 61.2 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F192 | F192-G194 VanDerWaalsContact C-N 3.26Å; F192-G194 PolarHBondContact O-N 3.28Å |
| 195 | C | 93.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -17.9 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | F192 H193 S225 T228 S229 L232 | F192-C195 VanDerWaalsContact O-CB 3.31Å; F192-C195 WeakPolarHBondContact O-CB 3.25Å; F192-C195 PolarHBondContact O-N 3.24Å; H193-C195 PolarHBondContact O-N 3.34Å; H193-C195 VanDerWaalsContact O-N 3.13Å; C195-S225 WeakPolarHBondContact O-CA 3.5Å; C195-S225 WeakPolarHBondContact O-CB 3.42Å; C195-S225 PolarHBondContact O-OG 2.67Å; C195-T228 WeakPolarHBondContact CB-OG1 3.49Å; C195-T228 PolarHBondContact O-OG1 3.43Å; C195-S229 VanDerWaalsContact SG-CA 3.59Å; C195-L232 WeakPolarHBondContact SG-CD1 3.46Å |
| 196 | G | 94.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 146.1 | 170.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H193 V198 | H193-G196 PolarHBondContact O-N 2.76Å; H193-G196 VanDerWaalsContact O-N 3.16Å; G196-V198 PolarHBondContact O-N 2.94Å |
| 197 | S | 95.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | trans | -69.4 | 129.4 | -175.5 | -52 | 0 | 0 | 0 | 0 | 111.9 | F220 S221 | S197-F220 CarbonylContact O-C 3.53Å; S197-F220 WeakPolarHBondContact O-CA 3.34Å; S197-S221 PolarHBondContact O-N 2.82Å; S197-S221 PolarHBondContact O-OG 2.76Å | ||
| 198 | V | 95.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 68.8 Ų | 68.8 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.3 | -179.2 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | E189 G196 V201 I218 F220 | E189-V198 HydrophobicContact CG-CB 4.1Å; E189-V198 HydrophobicContact CG-CG1 4.37Å; E189-V198 HydrophobicContact CG-CG2 4.28Å; G196-V198 PolarHBondContact O-N 2.94Å; V198-V201 HydrophobicContact CG1-CG2 3.8Å; V198-I218 HydrophobicContact CB-CG2 4.46Å; V198-I218 HydrophobicContact CG1-CG2 3.71Å; V198-I218 HydrophobicContact CG2-CG2 3.93Å; V198-F220 HydrophobicContact CG2-CD1 3.95Å; V198-F220 HydrophobicContact CG2-CE1 3.79Å |
| 199 | N | 94.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -39.3 | 172.6 | -73.9 | -10.3 | 0 | 0 | 0 | 111.7 | E219 F220 | N199-E219 HydrophobicContact CB-CB 4.49Å; N199-E219 HydrophobicContact CB-CG 4.25Å; N199-E219 PolarHBondContact N-O 3Å; N199-F220 PolarHBondContact ND2-O 2.9Å |
| 200 | R | 94.2 | Very high | 93.7 | Very high | 142 Ų | 142 | 70.1 Ų | 70.1 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 131 | -172.1 | -173.5 | 179 | 179.3 | 159.7 | 7 | 113.1 | T202 I218 E219 | R200-T202 PolarHBondContact NE-OG1 2.8Å; R200-I218 WeakPolarHBondContact O-CA 3.47Å; R200-E219 HydrophobicContact CB-CB 4.17Å; R200-E219 PolarHBondContact N-O 3.06Å; R200-E219 PolarHBondContact O-N 3.44Å |
| 201 | V | 95.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.176 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.7 | 166.4 | -176 | 0 | 0 | 0 | 0 | 109.9 | A185 L188 E189 V198 I203 I218 | A185-V201 HydrophobicContact CB-CB 4.15Å; A185-V201 HydrophobicContact CB-CG1 4.08Å; L188-V201 HydrophobicContact CB-CG1 4.28Å; L188-V201 HydrophobicContact CD1-CG1 4.05Å; E189-V201 HydrophobicContact CB-CG2 4.23Å; V198-V201 HydrophobicContact CG1-CG2 3.8Å; V201-I203 HydrophobicContact CG1-CG1 4.31Å; V201-I218 HydrophobicContact CG1-CG1 4.37Å; V201-I218 HydrophobicContact CG2-CG1 4.41Å; V201-I218 HydrophobicContact CG2-CG2 4.49Å |
| 202 | T | 94.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 99.4 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | R200 L204 A216 Y217 | R200-T202 PolarHBondContact NE-OG1 2.8Å; T202-L204 HydrophobicContact CG2-CD1 3.99Å; T202-A216 CarbonylContact O-C 3.51Å; T202-A216 WeakPolarHBondContact O-CA 3.36Å; T202-Y217 PolarHBondContact N-O 3.22Å; T202-Y217 PolarHBondContact O-N 2.86Å |
| 203 | I | 94.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 76.7 Ų | 76.7 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129.6 | 174.8 | -57.5 | 176.1 | 0 | 0 | 0 | 108.8 | L188 V201 P212 A216 | L188-I203 HydrophobicContact CD1-CD1 4Å; L188-I203 HydrophobicContact CD1-CG1 3.92Å; V201-I203 HydrophobicContact CG1-CG1 4.31Å; I203-P212 HydrophobicContact CG2-CB 4.44Å; I203-A216 HydrophobicContact CG1-CB 4.15Å |
| 204 | L | 93.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 29% | 0.288 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112 | -179.6 | -88.9 | 81.6 | 0 | 0 | 0 | 111.8 | T202 K213 F215 Y217 | T202-L204 HydrophobicContact CG2-CD1 3.99Å; L204-K213 WeakPolarHBondContact O-CB 3.33Å; L204-K213 WeakPolarHBondContact O-CG 3.39Å; L204-K213 PolarHBondContact O-N 2.85Å; L204-F215 HydrophobicContact CB-CD2 3.98Å; L204-F215 HydrophobicContact CB-CE2 3.57Å; L204-F215 HydrophobicContact CB-CZ 4.08Å; L204-F215 HydrophobicContact CD1-CE2 4.45Å; L204-F215 HydrophobicContact CD2-CE2 3.74Å; L204-F215 HydrophobicContact CD2-CZ 4.33Å; L204-F215 HydrophobicContact CG-CE2 4.08Å; L204-F215 PolarHBondContact N-O 2.98Å; L204-F215 VanDerWaalsContact N-O 3.11Å; L204-Y217 HydrophobicContact CD1-CD2 3.46Å; L204-Y217 VanDerWaalsContact CD1-CD2 3.46Å; L204-Y217 HydrophobicContact CD1-CE2 3.57Å; L204-Y217 HydrophobicContact CD2-CE2 4.14Å |
| 205 | C | 93.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 158.4 | 169.4 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | H211 | C205-H211 CarbonylContact C-O 3.5Å; C205-H211 WeakPolarHBondContact CA-O 3.3Å |
| 206 | D | 92.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.219 | 37% | 0.368 | C | S | . | . | trans | -75.4 | 136.2 | 170.4 | 177.8 | 53.4 | 0 | 0 | 0 | 111.9 | F208 S209 G210 H211 K213 | D206-F208 VanDerWaalsContact C-N 3.27Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 PolarHBondContact OD2-N 2.88Å; D206-S209 WeakPolarHBondContact CB-OG 3.35Å; D206-S209 PolarHBondContact OD2-N 2.85Å; D206-S209 PolarHBondContact OD2-OG 3.4Å; D206-G210 WeakPolarHBondContact O-CA 3.48Å; D206-G210 PolarHBondContact O-N 3.41Å; D206-H211 PolarHBondContact N-O 3.01Å; D206-K213 HydrophobicContact CB-CG 4.22Å; D206-K213 IonicContact OD1-NZ 3.13Å | ||
| 207 | K | 90.6 | Very high | 93.6 | Very high | 184 Ų | 184 | 70.8 Ų | 70.8 | 80% | 0.8 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.5 | -170.9 | -66.6 | -176.6 | -69.9 | -176.4 | 0 | 113.4 | ||
| 208 | F | 90 | Very high | 93.6 | Very high | 191 Ų | 191 | 67.2 Ų | 67.2 | 84% | 0.838 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -42.4 | -178.5 | -56.6 | -74.2 | 0 | 0 | 0 | 112 | D206 | D206-F208 VanDerWaalsContact C-N 3.27Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 PolarHBondContact OD2-N 2.88Å |
| 209 | S | 91.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 44% | 0.441 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -16 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | D206 H211 | D206-S209 WeakPolarHBondContact CB-OG 3.35Å; D206-S209 PolarHBondContact OD2-N 2.85Å; D206-S209 PolarHBondContact OD2-OG 3.4Å; S209-H211 PolarHBondContact O-N 2.87Å; S209-H211 VanDerWaalsContact O-N 3.1Å; S209-H211 PolarHBondContact O-ND1 3.12Å; S209-H211 PolarHBondContact OG-N 3.18Å |
| 210 | G | 90.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | trans | 69.8 | -6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D206 | D206-G210 WeakPolarHBondContact O-CA 3.48Å; D206-G210 PolarHBondContact O-N 3.41Å | ||
| 211 | H | 89.7 | Confident | 93.8 | Very high | 130 Ų | 130 | 58 Ų | 58 | 60% | 0.602 | 31% | 0.306 | S | S | * | . | trans | -74.2 | 139.3 | -175.9 | -70.6 | 53.5 | 0 | 0 | 0 | 110.5 | C205 D206 S209 | C205-H211 CarbonylContact C-O 3.5Å; C205-H211 WeakPolarHBondContact CA-O 3.3Å; D206-H211 PolarHBondContact N-O 3.01Å; S209-H211 PolarHBondContact O-N 2.87Å; S209-H211 VanDerWaalsContact O-N 3.1Å; S209-H211 PolarHBondContact O-ND1 3.12Å; S209-H211 PolarHBondContact OG-N 3.18Å | ||
| 212 | P | 92 | Very high | 93.7 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 140 | 174.6 | 19.7 | -26 | 0 | 0 | 0 | 110.6 | Y181 I203 G214 | Y181-P212 HydrophobicContact CD1-CG 4.24Å; Y181-P212 WeakPolarHBondContact CD1-O 3.38Å; Y181-P212 WeakPolarHBondContact CE1-O 3.38Å; Y181-P212 WeakPolarHBondContact O-CG 3.36Å; I203-P212 HydrophobicContact CG2-CB 4.44Å; P212-G214 VanDerWaalsContact C-N 3.25Å; P212-G214 PolarHBondContact O-N 2.97Å |
| 213 | K | 93.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 2.5 | -177.3 | -61.9 | -171.7 | 176.9 | -162 | 0 | 114.1 | L204 D206 F215 | L204-K213 WeakPolarHBondContact O-CB 3.33Å; L204-K213 WeakPolarHBondContact O-CG 3.39Å; L204-K213 PolarHBondContact O-N 2.85Å; D206-K213 HydrophobicContact CB-CG 4.22Å; D206-K213 IonicContact OD1-NZ 3.13Å; K213-F215 HydrophobicContact CB-CD1 3.55Å; K213-F215 HydrophobicContact CB-CE1 3.28Å; K213-F215 HydrophobicContact CB-CZ 4.08Å; K213-F215 HydrophobicContact CD-CE1 3.62Å; K213-F215 HydrophobicContact CD-CZ 3.74Å; K213-F215 HydrophobicContact CG-CE1 4.09Å |
| 214 | G | 94.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.9 | 26.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N178 V179 P212 | N178-G214 PolarHBondContact N-O 3.23Å; V179-G214 PolarHBondContact N-O 2.88Å; V179-G214 VanDerWaalsContact O-CA 3.28Å; V179-G214 WeakPolarHBondContact O-CA 3.17Å; P212-G214 VanDerWaalsContact C-N 3.25Å; P212-G214 PolarHBondContact O-N 2.97Å |
| 215 | F | 95.4 | Very high | 93.8 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.9 | 171.5 | 65.1 | -95.5 | 0 | 0 | 0 | 113.3 | Y175 V176 L204 K213 | Y175-F215 HydrophobicContact CE2-CB 3.68Å; Y175-F215 AromaticContact CE2-CD2 3.86Å; Y175-F215 HydrophobicContact CE2-CD2 3.86Å; Y175-F215 AromaticContact CE2-CG 3.94Å; Y175-F215 HydrophobicContact CE2-CG 3.94Å; V176-F215 CarbonylContact O-C 3.58Å; V176-F215 WeakPolarHBondContact O-CA 3.45Å; V176-F215 WeakPolarHBondContact O-CB 3.49Å; L204-F215 HydrophobicContact CB-CD2 3.98Å; L204-F215 HydrophobicContact CB-CE2 3.57Å; L204-F215 HydrophobicContact CB-CZ 4.08Å; L204-F215 HydrophobicContact CD1-CE2 4.45Å; L204-F215 HydrophobicContact CD2-CE2 3.74Å; L204-F215 HydrophobicContact CD2-CZ 4.33Å; L204-F215 HydrophobicContact CG-CE2 4.08Å; L204-F215 PolarHBondContact N-O 2.98Å; L204-F215 VanDerWaalsContact N-O 3.11Å; K213-F215 HydrophobicContact CB-CD1 3.55Å; K213-F215 HydrophobicContact CB-CE1 3.28Å; K213-F215 HydrophobicContact CB-CZ 4.08Å; K213-F215 HydrophobicContact CD-CE1 3.62Å; K213-F215 HydrophobicContact CD-CZ 3.74Å; K213-F215 HydrophobicContact CG-CE1 4.09Å |
| 216 | A | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | V176 L188 T202 I203 | V176-A216 PolarHBondContact N-O 2.76Å; V176-A216 PolarHBondContact O-N 2.79Å; L188-A216 HydrophobicContact CD1-CB 3.78Å; T202-A216 CarbonylContact O-C 3.51Å; T202-A216 WeakPolarHBondContact O-CA 3.36Å; I203-A216 HydrophobicContact CG1-CB 4.15Å |
| 217 | Y | 96.4 | Very high | 94 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.8 | 162.8 | -59.9 | -70.4 | 0 | 0 | 0 | 109.4 | I174 Y175 T202 L204 K247 | I174-Y217 VanDerWaalsContact O-CA 3.3Å; I174-Y217 WeakPolarHBondContact O-CA 3.32Å; Y175-Y217 HydrophobicContact CD2-CD1 4.28Å; Y175-Y217 AromaticContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CG-CE1 4.3Å; T202-Y217 PolarHBondContact N-O 3.22Å; T202-Y217 PolarHBondContact O-N 2.86Å; L204-Y217 HydrophobicContact CD1-CD2 3.46Å; L204-Y217 VanDerWaalsContact CD1-CD2 3.46Å; L204-Y217 HydrophobicContact CD1-CE2 3.57Å; L204-Y217 HydrophobicContact CD2-CE2 4.14Å; Y217-K247 HydrophobicContact CD1-CD 3.89Å; Y217-K247 HydrophobicContact CD1-CG 3.86Å; Y217-K247 HydrophobicContact CE1-CD 4.37Å; Y217-K247 HydrophobicContact CE1-CG 3.96Å; Y217-K247 HydrophobicContact CG-CD 4.38Å |
| 218 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.1 | 174.8 | -57 | 177.5 | 0 | 0 | 0 | 106.7 | S173 I174 V176 L188 F192 V198 R200 V201 F220 | S173-I218 CarbonylContact C-O 3.57Å; S173-I218 WeakPolarHBondContact CA-O 3.47Å; S173-I218 WeakPolarHBondContact CB-O 3.46Å; I174-I218 HydrophobicContact CD1-CB 4.18Å; I174-I218 HydrophobicContact CD1-CD1 4.35Å; I174-I218 HydrophobicContact CG1-CB 3.81Å; I174-I218 PolarHBondContact N-O 3.1Å; I174-I218 PolarHBondContact O-N 2.69Å; I174-I218 VanDerWaalsContact O-N 3.12Å; V176-I218 HydrophobicContact CG2-CD1 3.88Å; V176-I218 HydrophobicContact CG2-CG1 4.25Å; L188-I218 HydrophobicContact CB-CD1 4.23Å; F192-I218 HydrophobicContact CB-CD1 4.41Å; F192-I218 HydrophobicContact CD2-CD1 3.23Å; F192-I218 HydrophobicContact CE2-CD1 3.63Å; F192-I218 HydrophobicContact CG-CD1 3.94Å; V198-I218 HydrophobicContact CB-CG2 4.46Å; V198-I218 HydrophobicContact CG1-CG2 3.71Å; V198-I218 HydrophobicContact CG2-CG2 3.93Å; R200-I218 WeakPolarHBondContact O-CA 3.47Å; V201-I218 HydrophobicContact CG1-CG1 4.37Å; V201-I218 HydrophobicContact CG2-CG1 4.41Å; V201-I218 HydrophobicContact CG2-CG2 4.49Å; I218-F220 HydrophobicContact CG2-CE1 4.26Å; I218-F220 HydrophobicContact CG2-CZ 4.17Å |
| 219 | E | 96.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.3 | 175.3 | -175.5 | -176 | 162.4 | 0 | 0 | 108.8 | A169 R172 N199 R200 | A169-E219 WeakPolarHBondContact CB-OE1 3.47Å; R172-E219 IonicContact NH2-OE1 3.93Å; N199-E219 HydrophobicContact CB-CB 4.49Å; N199-E219 HydrophobicContact CB-CG 4.25Å; N199-E219 PolarHBondContact N-O 3Å; R200-E219 HydrophobicContact CB-CB 4.17Å; R200-E219 PolarHBondContact N-O 3.06Å; R200-E219 PolarHBondContact O-N 3.44Å |
| 220 | F | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 161.4 | 176.1 | -63.9 | -75.4 | 0 | 0 | 0 | 112.5 | R172 I174 F192 S197 V198 N199 I218 D222 S225 V226 | R172-F220 WeakPolarHBondContact CB-O 3.49Å; R172-F220 PolarHBondContact O-N 2.84Å; I174-F220 HydrophobicContact CD1-CE2 3.69Å; I174-F220 HydrophobicContact CD1-CZ 3.86Å; I174-F220 HydrophobicContact CG1-CE2 3.76Å; I174-F220 HydrophobicContact CG1-CZ 4.36Å; I174-F220 HydrophobicContact CG2-CE2 4.07Å; F192-F220 HydrophobicContact CB-CE1 4.18Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CZ 4.32Å; F192-F220 HydrophobicContact CG-CZ 4.46Å; S197-F220 CarbonylContact O-C 3.53Å; S197-F220 WeakPolarHBondContact O-CA 3.34Å; V198-F220 HydrophobicContact CG2-CD1 3.95Å; V198-F220 HydrophobicContact CG2-CE1 3.79Å; N199-F220 PolarHBondContact ND2-O 2.9Å; I218-F220 HydrophobicContact CG2-CE1 4.26Å; I218-F220 HydrophobicContact CG2-CZ 4.17Å; F220-D222 VanDerWaalsContact C-N 3.29Å; F220-S225 VanDerWaalsContact CG-CB 3.45Å; F220-V226 HydrophobicContact CD2-CG2 4.13Å |
| 221 | S | 95.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -58.8 | -40.6 | 165.6 | 55 | 0 | 0 | 0 | 0 | 112 | R172 S197 | R172-S221 WeakPolarHBondContact CD-O 3.11Å; R172-S221 PolarHBondContact NH1-O 3.17Å; S197-S221 PolarHBondContact O-N 2.82Å; S197-S221 PolarHBondContact O-OG 2.76Å |
| 222 | D | 94.5 | Very high | 94.9 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | trans | -119.2 | 149.5 | -168.2 | -63.2 | -64.6 | 0 | 0 | 0 | 113.7 | F220 E224 | F220-D222 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 2.79Å | ||
| 223 | K | 93.7 | Very high | 95.1 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.5 | 173.7 | -67.5 | 173.2 | -177.9 | 166 | 0 | 111.5 | E168 R172 | E168-K223 IonicContact OE1-NZ 3.56Å; E168-K223 PolarHBondContact OE1-NZ 3.34Å; E168-K223 VanDerWaalsContact OE1-NZ 3.13Å; R172-K223 HydrophobicContact CG-CB 4.4Å; R172-K223 HydrophobicContact CG-CG 3.48Å; R172-K223 VanDerWaalsContact CG-CG 3.48Å |
| 224 | E | 94.6 | Very high | 95.1 | Very high | 130 Ų | 130 | 56 Ų | 56 | 61% | 0.607 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -32.2 | 179.5 | -52.8 | -145.7 | 130.2 | 0 | 0 | 112.5 | D222 V226 R227 T228 | D222-E224 PolarHBondContact O-N 2.79Å; E224-V226 PolarHBondContact O-N 3.27Å; E224-R227 WeakPolarHBondContact O-CA 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.26Å; E224-R227 PolarHBondContact O-N 3.06Å; E224-R227 IonicContact OE1-NH1 3.03Å; E224-T228 PolarHBondContact O-N 3Å |
| 225 | S | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -26.3 | 174.7 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | C195 F220 R227 T228 S229 | C195-S225 WeakPolarHBondContact O-CA 3.5Å; C195-S225 WeakPolarHBondContact O-CB 3.42Å; C195-S225 PolarHBondContact O-OG 2.67Å; F220-S225 VanDerWaalsContact CG-CB 3.45Å; S225-R227 VanDerWaalsContact C-N 3.3Å; S225-R227 PolarHBondContact O-N 2.94Å; S225-T228 VanDerWaalsContact CA-OG1 3.32Å; S225-T228 WeakPolarHBondContact CA-OG1 3.29Å; S225-T228 PolarHBondContact O-OG1 2.89Å; S225-T228 VanDerWaalsContact O-OG1 3.06Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.42Å; S225-S229 PolarHBondContact O-N 3.48Å; S225-S229 PolarHBondContact O-OG 2.8Å |
| 226 | V | 95.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -32.1 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | R172 I174 F220 E224 S229 L230 P246 | R172-V226 WeakPolarHBondContact O-CG2 3.17Å; I174-V226 HydrophobicContact CG2-CB 4.45Å; I174-V226 HydrophobicContact CG2-CG1 3.99Å; I174-V226 HydrophobicContact CG2-CG2 4.42Å; F220-V226 HydrophobicContact CD2-CG2 4.13Å; E224-V226 PolarHBondContact O-N 3.27Å; V226-S229 WeakPolarHBondContact CA-OG 3.19Å; V226-S229 PolarHBondContact O-OG 2.96Å; V226-L230 WeakPolarHBondContact O-CD1 3.19Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; V226-P246 HydrophobicContact CG1-CB 4.11Å |
| 227 | R | 95.2 | Very high | 95 | Very high | 181 Ų | 181 | 61 Ų | 61 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -77.9 | -43.8 | 178 | -61.6 | 179 | 179.1 | 150.7 | -2.5 | 111.5 | E224 S225 L230 | E224-R227 WeakPolarHBondContact O-CA 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.26Å; E224-R227 PolarHBondContact O-N 3.06Å; E224-R227 IonicContact OE1-NH1 3.03Å; S225-R227 VanDerWaalsContact C-N 3.3Å; S225-R227 PolarHBondContact O-N 2.94Å; R227-L230 PolarHBondContact O-N 3.27Å |
| 228 | T | 95.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | C195 E224 S225 L230 A231 | C195-T228 WeakPolarHBondContact CB-OG1 3.49Å; C195-T228 PolarHBondContact O-OG1 3.43Å; E224-T228 PolarHBondContact O-N 3Å; S225-T228 VanDerWaalsContact CA-OG1 3.32Å; S225-T228 WeakPolarHBondContact CA-OG1 3.29Å; S225-T228 PolarHBondContact O-OG1 2.89Å; S225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-L230 PolarHBondContact O-N 3.11Å; T228-A231 VanDerWaalsContact O-CB 3.26Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.47Å |
| 229 | S | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -21.7 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | C195 S225 V226 A231 L232 | C195-S229 VanDerWaalsContact SG-CA 3.59Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.42Å; S225-S229 PolarHBondContact O-N 3.48Å; S225-S229 PolarHBondContact O-OG 2.8Å; V226-S229 WeakPolarHBondContact CA-OG 3.19Å; V226-S229 PolarHBondContact O-OG 2.96Å; S229-A231 VanDerWaalsContact C-N 3.25Å; S229-A231 PolarHBondContact O-N 2.81Å; S229-L232 WeakPolarHBondContact O-CB 3.22Å; S229-L232 PolarHBondContact O-N 3.1Å; S229-L232 VanDerWaalsContact O-N 3.1Å |
| 230 | L | 95.2 | Very high | 94.6 | Very high | 67 Ų | 67 | 68.4 Ų | 68.4 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -71.6 | -18.1 | 171.4 | -67.9 | 166.3 | 0 | 0 | 0 | 113.2 | V226 R227 T228 L232 D233 V244 | V226-L230 WeakPolarHBondContact O-CD1 3.19Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; R227-L230 PolarHBondContact O-N 3.27Å; T228-L230 PolarHBondContact O-N 3.11Å; L230-L232 PolarHBondContact O-N 3.26Å; L230-D233 WeakPolarHBondContact O-CB 3.31Å; L230-D233 PolarHBondContact O-N 2.78Å; L230-V244 HydrophobicContact CD2-CG1 4.14Å; L230-V244 WeakPolarHBondContact CD2-O 3.33Å |
| 231 | A | 94.2 | Very high | 94.6 | Very high | 87 Ų | 87 | 74 Ų | 74 | 72% | 0.719 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -72.6 | -14 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T228 S229 | T228-A231 VanDerWaalsContact O-CB 3.26Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.47Å; S229-A231 VanDerWaalsContact C-N 3.25Å; S229-A231 PolarHBondContact O-N 2.81Å |
| 232 | L | 93.3 | Very high | 94.6 | Very high | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -95.3 | 12.6 | 171.3 | -59.7 | -175.3 | 0 | 0 | 0 | 113.2 | F192 C195 S229 L230 S235 | F192-L232 HydrophobicContact CD1-CD1 4.19Å; F192-L232 HydrophobicContact CE1-CB 4.35Å; F192-L232 HydrophobicContact CE1-CD1 4.32Å; C195-L232 WeakPolarHBondContact SG-CD1 3.46Å; S229-L232 WeakPolarHBondContact O-CB 3.22Å; S229-L232 PolarHBondContact O-N 3.1Å; S229-L232 VanDerWaalsContact O-N 3.1Å; L230-L232 PolarHBondContact O-N 3.26Å; L232-S235 VanDerWaalsContact O-CB 3.24Å; L232-S235 WeakPolarHBondContact O-CB 3.45Å; L232-S235 PolarHBondContact O-N 3.23Å; L232-S235 PolarHBondContact O-OG 3.38Å |
| 233 | D | 94.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 31% | 0.31 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 143.9 | 168 | -161.9 | 19.2 | 0 | 0 | 0 | 110 | L230 S235 K243 V244 | L230-D233 WeakPolarHBondContact O-CB 3.31Å; L230-D233 PolarHBondContact O-N 2.78Å; D233-S235 PolarHBondContact O-N 3.16Å; D233-K243 VanDerWaalsContact OD1-CA 3.27Å; D233-K243 WeakPolarHBondContact OD1-CA 3.42Å; D233-V244 HydrophobicContact CB-CB 4.28Å; D233-V244 PolarHBondContact OD1-N 3.37Å |
| 234 | E | 94.5 | Very high | 94.9 | Very high | 131 Ų | 131 | 68.6 Ų | 68.6 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7.5 | -174.7 | -49.6 | -168.3 | 157.8 | 0 | 0 | 116.2 | Q241 I242 | E234-Q241 WeakPolarHBondContact O-CG 3.37Å; E234-I242 WeakPolarHBondContact CA-O 3.36Å; E234-I242 PolarHBondContact N-O 3.01Å |
| 235 | S | 94.8 | Very high | 95 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | trans | -62.6 | 152.7 | 175.4 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | H191 L232 D233 Q241 I242 | H191-S235 PolarHBondContact NE2-OG 3.47Å; L232-S235 VanDerWaalsContact O-CB 3.24Å; L232-S235 WeakPolarHBondContact O-CB 3.45Å; L232-S235 PolarHBondContact O-N 3.23Å; L232-S235 PolarHBondContact O-OG 3.38Å; D233-S235 PolarHBondContact O-N 3.16Å; S235-Q241 WeakPolarHBondContact O-CA 3.11Å; S235-I242 WeakPolarHBondContact O-CG1 3.42Å; S235-I242 PolarHBondContact O-N 3.04Å | ||
| 236 | L | 94.5 | Very high | 95 | Very high | 124 Ų | 124 | 68.1 Ų | 68.1 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.7 | -179 | -69.3 | 174.5 | 0 | 0 | 0 | 111.6 | Q241 | L236-Q241 HydrophobicContact CD2-CG 3.74Å |
| 237 | F | 93.9 | Very high | 95 | Very high | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.053 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.1 | 174.4 | 179.3 | -93.4 | 0 | 0 | 0 | 109.4 | V179 A183 E187 L188 H191 G239 R240 I242 | V179-F237 HydrophobicContact CG1-CE1 4.23Å; A183-F237 HydrophobicContact CB-CE1 3.67Å; A183-F237 HydrophobicContact CB-CZ 4.02Å; E187-F237 HydrophobicContact CB-CE2 4.02Å; E187-F237 HydrophobicContact CB-CZ 3.83Å; L188-F237 HydrophobicContact CD2-CE1 4.22Å; L188-F237 HydrophobicContact CD2-CE2 4.14Å; L188-F237 HydrophobicContact CD2-CZ 3.89Å; L188-F237 HydrophobicContact CG-CZ 4.29Å; H191-F237 HydrophobicContact CB-CD2 4.2Å; H191-F237 HydrophobicContact CB-CE2 4.33Å; H191-F237 AromaticContact ND1-CD2 3.82Å; F237-G239 PolarHBondContact O-N 2.91Å; F237-G239 VanDerWaalsContact O-N 3.11Å; F237-R240 PolarHBondContact N-O 2.83Å; F237-R240 PolarHBondContact O-N 3.23Å; F237-R240 VanDerWaalsContact O-O 3.08Å; F237-I242 HydrophobicContact CB-CD1 4.45Å; F237-I242 HydrophobicContact CB-CG1 4.47Å; F237-I242 HydrophobicContact CB-CG2 3.71Å; F237-I242 HydrophobicContact CD1-CG2 4.34Å; F237-I242 HydrophobicContact CG-CG2 4.29Å |
| 238 | R | 92.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 71.7 Ų | 71.7 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 36.3 | -175.2 | -62.3 | 170.9 | 67.7 | 106.4 | 3.6 | 113.6 | D180 G182 E187 R240 | D180-R238 HydrophobicContact CB-CB 4.12Å; D180-R238 IonicContact OD2-CZ 3.95Å; D180-R238 IonicContact OD2-NE 3.71Å; D180-R238 PolarHBondContact OD2-NE 3.49Å; D180-R238 IonicContact OD2-NH2 2.95Å; G182-R238 PolarHBondContact O-NH1 3.21Å; E187-R238 IonicContact OE1-NH1 3.81Å; E187-R238 PolarHBondContact OE1-NH1 3.41Å; E187-R238 WeakPolarHBondContact OE2-CD 3.49Å; E187-R238 IonicContact OE2-CZ 3.64Å; E187-R238 IonicContact OE2-NE 2.66Å; E187-R238 IonicContact OE2-NH1 3.6Å; E187-R238 PolarHBondContact OE2-NH1 2.98Å; R238-R240 VanDerWaalsContact C-N 3.34Å |
| 239 | G | 92.7 | Very high | 94.2 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 10.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F237 | F237-G239 PolarHBondContact O-N 2.91Å; F237-G239 VanDerWaalsContact O-N 3.11Å |
| 240 | R | 94.6 | Very high | 93.3 | Very high | 63 Ų | 63 | 77.2 Ų | 77.2 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.1 | 177.6 | -63 | 170.5 | 63.3 | 166.2 | 0.1 | 109.7 | N178 D180 F237 R238 I242 | N178-R240 PolarHBondContact OD1-NH2 2.99Å; D180-R240 IonicContact OD1-CZ 2.77Å; D180-R240 IonicContact OD1-NH1 2.78Å; D180-R240 PolarHBondContact OD1-NH1 3.33Å; F237-R240 PolarHBondContact N-O 2.83Å; F237-R240 PolarHBondContact O-N 3.23Å; F237-R240 VanDerWaalsContact O-O 3.08Å; R238-R240 VanDerWaalsContact C-N 3.34Å; R240-I242 PolarHBondContact O-N 3.37Å |
| 241 | Q | 96.3 | Very high | 92.2 | Very high | 119 Ų | 119 | 81.7 Ų | 81.7 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 118.9 | 172.8 | -67.8 | 176.1 | -51 | 0 | 0 | 109.7 | N178 E234 S235 L236 | N178-Q241 PolarHBondContact ND2-O 2.77Å; E234-Q241 WeakPolarHBondContact O-CG 3.37Å; S235-Q241 WeakPolarHBondContact O-CA 3.11Å; L236-Q241 HydrophobicContact CD2-CG 3.74Å |
| 242 | I | 96.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.015 | 41% | 0.412 | C | S | . | . | trans | -83 | 157.2 | 175 | 54.8 | 168.6 | 0 | 0 | 0 | 111 | V176 G177 V179 F192 E234 S235 F237 R240 V244 | V176-I242 HydrophobicContact CG1-CB 4.05Å; V176-I242 HydrophobicContact CG1-CD1 3.97Å; V176-I242 HydrophobicContact CG1-CG2 4.34Å; G177-I242 WeakPolarHBondContact O-CA 3.44Å; V179-I242 HydrophobicContact CG2-CG2 4.44Å; F192-I242 HydrophobicContact CE2-CD1 4.06Å; F192-I242 HydrophobicContact CZ-CD1 3.72Å; E234-I242 WeakPolarHBondContact CA-O 3.36Å; E234-I242 PolarHBondContact N-O 3.01Å; S235-I242 WeakPolarHBondContact O-CG1 3.42Å; S235-I242 PolarHBondContact O-N 3.04Å; F237-I242 HydrophobicContact CB-CD1 4.45Å; F237-I242 HydrophobicContact CB-CG1 4.47Å; F237-I242 HydrophobicContact CB-CG2 3.71Å; F237-I242 HydrophobicContact CD1-CG2 4.34Å; F237-I242 HydrophobicContact CG-CG2 4.29Å; R240-I242 PolarHBondContact O-N 3.37Å; I242-V244 HydrophobicContact CD1-CG2 4.21Å | ||
| 243 | K | 96.9 | Very high | 89.4 | Confident | 109 Ų | 109 | 83.6 Ų | 83.6 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.9 | 175.3 | -172.2 | 168.6 | -164.9 | 164.6 | 0 | 111.4 | V176 G177 D233 I245 | V176-K243 CarbonylContact C-O 3.57Å; V176-K243 WeakPolarHBondContact CA-O 3.39Å; G177-K243 PolarHBondContact N-O 3.22Å; G177-K243 PolarHBondContact O-N 2.9Å; D233-K243 VanDerWaalsContact OD1-CA 3.27Å; D233-K243 WeakPolarHBondContact OD1-CA 3.42Å; K243-I245 HydrophobicContact CD-CD1 4.13Å; K243-I245 HydrophobicContact CG-CD1 4.25Å; K243-I245 HydrophobicContact CG-CG1 4.15Å |
| 244 | V | 97 | Very high | 87.8 | Confident | 2 Ų | 2 | 86.9 Ų | 86.9 | 1% | 0.012 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.1 | -177.2 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | I174 Y175 F192 L230 D233 I242 | I174-V244 HydrophobicContact CB-CG1 4.24Å; I174-V244 HydrophobicContact CD1-CG1 3.92Å; I174-V244 HydrophobicContact CG2-CG1 4.29Å; Y175-V244 WeakPolarHBondContact O-CA 3.49Å; F192-V244 HydrophobicContact CE1-CG1 4.34Å; F192-V244 HydrophobicContact CE1-CG2 3.95Å; F192-V244 HydrophobicContact CZ-CG2 3.72Å; L230-V244 HydrophobicContact CD2-CG1 4.14Å; L230-V244 WeakPolarHBondContact CD2-O 3.33Å; D233-V244 HydrophobicContact CB-CB 4.28Å; D233-V244 PolarHBondContact OD1-N 3.37Å; I242-V244 HydrophobicContact CD1-CG2 4.21Å |
| 245 | I | 96.3 | Very high | 86.1 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 32% | 0.323 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.2 | -179.2 | -50.8 | 178.4 | 0 | 0 | 0 | 107.9 | Y175 K243 K247 | Y175-I245 HydrophobicContact CD1-CB 4.28Å; Y175-I245 HydrophobicContact CD1-CD1 4.2Å; Y175-I245 HydrophobicContact CD1-CG1 4.32Å; Y175-I245 HydrophobicContact CE1-CD1 4.47Å; Y175-I245 PolarHBondContact N-O 3.37Å; Y175-I245 PolarHBondContact O-N 3.29Å; K243-I245 HydrophobicContact CD-CD1 4.13Å; K243-I245 HydrophobicContact CG-CD1 4.25Å; K243-I245 HydrophobicContact CG-CG1 4.15Å; I245-K247 PolarHBondContact O-N 3.5Å |
| 246 | P | 95.5 | Very high | 84.4 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.7 | 170.1 | 25.5 | -36.2 | 0 | 0 | 0 | 111 | V226 R248 | V226-P246 HydrophobicContact CG1-CB 4.11Å; P246-R248 PolarHBondContact O-N 3.27Å |
| 247 | K | 94.7 | Very high | 82.8 | Confident | 52 Ų | 52 | 86.4 Ų | 86.4 | 23% | 0.226 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 136.5 | -179.5 | -172.7 | -176.5 | -179.9 | -161.1 | 0 | 109.7 | D170 S173 Y217 I245 | D170-K247 WeakPolarHBondContact OD1-CE 3.2Å; D170-K247 IonicContact OD1-NZ 3.69Å; D170-K247 PolarHBondContact OD1-NZ 3.21Å; S173-K247 VanDerWaalsContact O-CB 3.23Å; S173-K247 WeakPolarHBondContact O-CB 3.24Å; S173-K247 PolarHBondContact O-N 2.87Å; Y217-K247 HydrophobicContact CD1-CD 3.89Å; Y217-K247 HydrophobicContact CD1-CG 3.86Å; Y217-K247 HydrophobicContact CE1-CD 4.37Å; Y217-K247 HydrophobicContact CE1-CG 3.96Å; Y217-K247 HydrophobicContact CG-CD 4.38Å; I245-K247 PolarHBondContact O-N 3.5Å |
| 248 | R | 88.7 | Confident | 81 | Confident | 217 Ų | 217 | 91.2 Ų | 91.2 | 82% | 0.819 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 125.8 | 173.5 | -66.6 | -176 | 178.5 | -168.6 | -1.2 | 109.4 | P246 N250 | P246-R248 PolarHBondContact O-N 3.27Å; R248-N250 PolarHBondContact O-N 3.38Å |
| 249 | T | 85.2 | Confident | 79.1 | Confident | 50 Ų | 50 | 94.8 Ų | 94.8 | 31% | 0.307 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -68 | 132.1 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | D170 R251 | D170-T249 WeakPolarHBondContact OD2-CA 3.23Å; D170-T249 WeakPolarHBondContact OD2-CB 3.34Å; D170-T249 PolarHBondContact OD2-OG1 2.89Å; T249-R251 HydrophobicContact CG2-CG 4.4Å; T249-R251 PolarHBondContact O-N 3.22Å |
| 250 | N | 76.4 | Confident | 76.9 | Confident | 133 Ų | 133 | 94.3 Ų | 94.3 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | trans | -86.6 | 86.1 | 178.4 | -72.9 | -59.8 | 0 | 0 | 0 | 109.7 | R248 P252 | R248-N250 PolarHBondContact O-N 3.38Å; N250-P252 WeakPolarHBondContact O-CD 3.41Å | ||
| 251 | R | 71.2 | Confident | 74.7 | Confident | 161 Ų | 161 | 100.1 Ų | 100.1 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | trans | -65.4 | 113.8 | 171.6 | -67.1 | -174.3 | -178.9 | 174.8 | 0.6 | 109.9 | T249 G253 I254 | T249-R251 HydrophobicContact CG2-CG 4.4Å; T249-R251 PolarHBondContact O-N 3.22Å; R251-G253 PolarHBondContact O-N 2.82Å; R251-I254 HydrophobicContact CB-CD1 4.25Å; R251-I254 HydrophobicContact CB-CG1 4.45Å | ||
| 252 | P | 65.6 | Low | 72.7 | Confident | 108 Ų | 108 | 100.7 Ų | 100.7 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 137.8 | 174 | 27.5 | -33.4 | 0 | 0 | 0 | 109.5 | N250 | N250-P252 WeakPolarHBondContact O-CD 3.41Š|
| 253 | G | 64.1 | Low | 70.6 | Confident | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.7 | -2.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R251 | R251-G253 PolarHBondContact O-N 2.82Š|
| 254 | I | 61.8 | Low | 68.3 | Low | 127 Ų | 127 | 110 Ų | 110 | 65% | 0.651 | 59% | 0.587 | S | S | * | * | trans | -112.9 | 37 | 173.1 | -37 | -179.6 | 0 | 0 | 0 | 111.2 | R251 T256 | R251-I254 HydrophobicContact CB-CD1 4.25Å; R251-I254 HydrophobicContact CB-CG1 4.45Å; I254-T256 PolarHBondContact O-N 3.13Å | ||
| 255 | S | 57.5 | Low | 66 | Low | 54 Ų | 54 | 121.9 Ų | 121.9 | 38% | 0.378 | 63% | 0.632 | S | S | . | * | trans | -59.8 | 139.8 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 110 | T257 D258 | S255-T257 PolarHBondContact O-N 3.33Å; S255-T257 VanDerWaalsContact O-N 3.15Å; S255-T257 PolarHBondContact OG-N 3.13Å; S255-T257 PolarHBondContact OG-OG1 3.1Å; S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.46Å; S255-D258 PolarHBondContact O-N 3.35Å | ||
| 256 | T | 59.3 | Low | 63.7 | Low | 96 Ų | 96 | 129.9 Ų | 129.9 | 59% | 0.589 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -65.1 | -18.5 | 177.2 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | I254 D258 R259 | I254-T256 PolarHBondContact O-N 3.13Å; T256-D258 VanDerWaalsContact C-N 3.33Å; T256-R259 WeakPolarHBondContact O-CG 3.27Å |
| 257 | T | 61.5 | Low | 61.5 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -68.2 | -29 | 171.4 | -36.5 | 0 | 0 | 0 | 0 | 112.6 | S255 R259 | S255-T257 PolarHBondContact O-N 3.33Å; S255-T257 VanDerWaalsContact O-N 3.15Å; S255-T257 PolarHBondContact OG-N 3.13Å; S255-T257 PolarHBondContact OG-OG1 3.1Å; T257-R259 VanDerWaalsContact C-N 3.33Å; T257-R259 PolarHBondContact O-N 3.21Å |
| 258 | D | 55 | Low | 59.1 | Low | 114 Ų | 114 | 139.7 Ų | 139.7 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -93.3 | 15.8 | -176.6 | -60.3 | -50.4 | 0 | 0 | 0 | 113.2 | S255 T256 G260 | S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.46Å; S255-D258 PolarHBondContact O-N 3.35Å; T256-D258 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.03Å |
| 259 | R | 53.8 | Low | 57 | Low | 193 Ų | 193 | 141.5 Ų | 141.5 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | trans | -70.8 | 22.5 | 168.8 | -63.8 | -179.7 | -174.9 | 172.4 | -0.1 | 113.5 | T256 T257 F261 | T256-R259 WeakPolarHBondContact O-CG 3.27Å; T257-R259 VanDerWaalsContact C-N 3.33Å; T257-R259 PolarHBondContact O-N 3.21Å; R259-F261 PolarHBondContact O-N 2.95Å | ||
| 260 | G | 47.2 | Very low | 55.4 | Low | 62 Ų | 62 | 144.9 Ų | 144.9 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | trans | -75 | 93.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | D258 | D258-G260 PolarHBondContact O-N 3.03Š| ||
| 261 | F | 47.5 | Very low | 53.9 | Low | 185 Ų | 185 | 144.7 Ų | 144.7 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -38.6 | 140 | 160.3 | -80.8 | -101.8 | 0 | 0 | 0 | 110.2 | R259 R263 | R259-F261 PolarHBondContact O-N 2.95Å; F261-R263 PolarHBondContact O-N 3.1Å | ||
| 262 | P | 53.7 | Low | 52.7 | Low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -64.4 | 86.7 | 170.6 | 27.5 | -33.8 | 0 | 0 | 0 | 109.1 | A264 | P262-A264 VanDerWaalsContact C-N 3.28Å; P262-A264 PolarHBondContact O-N 3.11Å | ||
| 263 | R | 52.6 | Low | 51.7 | Low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -69.2 | 89.6 | 176.8 | -98.3 | -169.8 | 169.6 | 132.4 | -0.7 | 108.8 | F261 R265 | F261-R263 PolarHBondContact O-N 3.1Å; R263-R265 PolarHBondContact O-N 2.92Å | ||
| 264 | A | 49.2 | Very low | 50.9 | Low | 73 Ų | 73 | 153 Ų | 153 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | trans | 44.3 | 74.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P262 Y266 | P262-A264 VanDerWaalsContact C-N 3.28Å; P262-A264 PolarHBondContact O-N 3.11Å; A264-Y266 VanDerWaalsContact C-N 3.31Å | ||
| 265 | R | 49 | Very low | 50.1 | Low | 252 Ų | 252 | 152.4 Ų | 152.4 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -87.1 | -1.1 | 148.7 | -74.9 | -161.2 | -179.7 | -166.3 | 3.6 | 113.6 | R263 R267 | R263-R265 PolarHBondContact O-N 2.92Å; R265-R267 PolarHBondContact O-N 3.11Å |
| 266 | Y | 47.4 | Very low | 49.5 | Very low | 231 Ų | 231 | 154 Ų | 154 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 85.6 | 162.5 | -84.1 | -88.6 | 0 | 0 | 0 | 110.9 | A264 | A264-Y266 VanDerWaalsContact C-N 3.31Š| ||
| 267 | R | 50.4 | Low | 48.8 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -138 | 136.3 | 153.4 | -89.4 | -141.9 | 173.6 | -146.5 | -0.8 | 110.2 | R265 | R265-R267 PolarHBondContact O-N 3.11Š| ||
| 268 | A | 44.6 | Very low | 48.1 | Very low | 90 Ų | 90 | 159 Ų | 159 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 53.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 269 | R | 43.8 | Very low | 47.6 | Very low | 255 Ų | 255 | 165 Ų | 165 | 96% | 0.962 | 80% | 0.8 | S | S | * | * | -96.9 | 81.1 | 127.7 | -92.9 | -165.8 | -175 | 173.1 | 3.5 | 108.2 | |||||
| 270 | T | 50.6 | Low | 47 | Very low | 122 Ų | 122 | 164.8 Ų | 164.8 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -134.5 | 93.1 | 165.7 | 54.1 | 0 | 0 | 0 | 0 | 107.8 | N272 | T270-N272 PolarHBondContact O-N 3.47Š| ||
| 271 | T | 46.1 | Very low | 46.7 | Very low | 128 Ų | 128 | 172.8 Ų | 172.8 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -46.1 | 120.5 | 161.2 | -38.4 | 0 | 0 | 0 | 0 | 108.6 | Y273 | T271-Y273 HydrophobicContact CG2-CE2 4.47Š| ||
| 272 | N | 45.5 | Very low | 46.6 | Very low | 157 Ų | 157 | 170.2 Ų | 170.2 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -146.5 | 135.6 | 149.8 | -148.5 | -5.3 | 0 | 0 | 0 | 110.2 | T270 | T270-N272 PolarHBondContact O-N 3.47Š| ||
| 273 | Y | 44 | Very low | 46 | Very low | 206 Ų | 206 | 166.6 Ų | 166.6 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 167.7 | -178.6 | -86 | -109 | 0 | 0 | 0 | 110.9 | T271 | T271-Y273 HydrophobicContact CG2-CE2 4.47Š| ||
| 274 | N | 47.8 | Very low | 45.6 | Very low | 154 Ų | 154 | 165.2 Ų | 165.2 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 72.2 | 88 | 157.1 | -162.7 | 17.5 | 0 | 0 | 0 | 117.9 | ||||
| 275 | S | 46 | Very low | 45.5 | Very low | 114 Ų | 114 | 169.4 Ų | 169.4 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -156.4 | 85.9 | 132.6 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 276 | S | 43.4 | Very low | 45.4 | Very low | 86 Ų | 86 | 161.9 Ų | 161.9 | 60% | 0.601 | 81% | 0.808 | S | S | * | * | trans | -85.2 | 144 | 160.5 | -89 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 277 | R | 44.7 | Very low | 45.5 | Very low | 219 Ų | 219 | 162.5 Ų | 162.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 79.8 | 97.4 | -176 | -70.7 | 64.4 | -91.9 | -155.7 | -3.5 | 115.6 | ||||
| 278 | S | 47.3 | Very low | 45.3 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | -155.3 | 118.7 | 102.9 | 66.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 279 | R | 45.3 | Very low | 45.2 | Very low | 240 Ų | 240 | 164.8 Ų | 164.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | 84.5 | 98.4 | 102.5 | -71.2 | 178.6 | -170.6 | 161.1 | 3.5 | 113.1 | |||||
| 280 | F | 40.6 | Very low | 45 | Very low | 189 Ų | 189 | 156 Ų | 156 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -63.7 | 164 | 162.2 | -69.9 | -101.2 | 0 | 0 | 0 | 111.3 | ||||
| 281 | Y | 41.4 | Very low | 45 | Very low | 229 Ų | 229 | 160.7 Ų | 160.7 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | 61.2 | 81 | 166.3 | -65.6 | -76.5 | 0 | 0 | 0 | 118.4 | ||||
| 282 | S | 45.5 | Very low | 45 | Very low | 131 Ų | 131 | 160.9 Ų | 160.9 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -162.7 | 139.4 | 132.1 | -165.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 283 | G | 40.6 | Very low | 44.7 | Very low | 56 Ų | 56 | 163.2 Ų | 163.2 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | cis | 156.2 | 131.6 | 20 | 0 | 0 | 0 | 0 | 0 | 103.6 | N285 | G283-N285 PolarHBondContact O-N 3.2Š| ||
| 284 | F | 43.5 | Very low | 44.9 | Very low | 204 Ų | 204 | 165 Ų | 165 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -58.1 | 112.3 | -171.3 | -156 | -93.1 | 0 | 0 | 0 | 110.2 | ||||
| 285 | N | 47.6 | Very low | 44.5 | Very low | 161 Ų | 161 | 161 Ų | 161 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -139.6 | 100.3 | 175.3 | -123.9 | -21.3 | 0 | 0 | 0 | 111.7 | G283 | G283-N285 PolarHBondContact O-N 3.2Š| ||
| 286 | S | 47.2 | Very low | 44.5 | Very low | 93 Ų | 93 | 167.4 Ų | 167.4 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | trans | -58.8 | 128.8 | 179 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 287 | R | 49.2 | Very low | 44.5 | Very low | 245 Ų | 245 | 167.1 Ų | 167.1 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -156.9 | 146.3 | 138.4 | -111.6 | 152 | 174.9 | 175.2 | -2.5 | 112.5 | ||||
| 288 | P | 47 | Very low | 44.5 | Very low | 118 Ų | 118 | 168.2 Ų | 168.2 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -103.2 | 171.4 | -143 | 38.8 | -36.9 | 0 | 0 | 0 | 115.3 | G290 | P288-G290 PolarHBondContact O-N 3.47Å; P288-G290 VanDerWaalsContact O-N 3.15Å | ||
| 289 | R | 42.9 | Very low | 44.6 | Very low | 251 Ų | 251 | 167.9 Ų | 167.9 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | trans | -39.9 | 112 | 171 | -78.5 | 178.7 | 166.2 | 170.5 | -4.8 | 113.3 | R291 | R289-R291 PolarHBondContact O-N 3.1Š| ||
| 290 | G | 38.8 | Very low | 45 | Very low | 72 Ų | 72 | 162.7 Ų | 162.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 99.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P288 V292 | P288-G290 PolarHBondContact O-N 3.47Å; P288-G290 VanDerWaalsContact O-N 3.15Å; G290-V292 PolarHBondContact O-N 2.77Å | ||
| 291 | R | 49.6 | Very low | 45.6 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 112.1 | 168.5 | -171.6 | -154.6 | -65.8 | -109.3 | 9.9 | 108.4 | R289 Y293 | R289-R291 PolarHBondContact O-N 3.1Å; R291-Y293 PolarHBondContact O-N 2.78Å; R291-Y293 VanDerWaalsContact O-N 3.15Å | ||
| 292 | V | 46.3 | Very low | 46.2 | Very low | 131 Ų | 131 | 159 Ų | 159 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -76.3 | 103.6 | 179.3 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | G290 | G290-V292 PolarHBondContact O-N 2.77Š| ||
| 293 | Y | 40.6 | Very low | 46.8 | Very low | 206 Ų | 206 | 162.7 Ų | 162.7 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -113.3 | 108.1 | 163.3 | -126.6 | -97.2 | 0 | 0 | 0 | 107.4 | R291 G295 | R291-Y293 PolarHBondContact O-N 2.78Å; R291-Y293 VanDerWaalsContact O-N 3.15Å; Y293-G295 PolarHBondContact O-N 3.18Å | ||
| 294 | R | 47.1 | Very low | 47.9 | Very low | 244 Ų | 244 | 165 Ų | 165 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -80.9 | 102.5 | 173.6 | -89.6 | -160.8 | -174.9 | -143.1 | 6 | 109.6 | ||||
| 295 | G | 40.9 | Very low | 49.1 | Very low | 70 Ų | 70 | 159.8 Ų | 159.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -94.3 | 125.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y293 | Y293-G295 PolarHBondContact O-N 3.18Š| ||
| 296 | R | 44.5 | Very low | 49.8 | Very low | 248 Ų | 248 | 166.1 Ų | 166.1 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -174.7 | 136.3 | 159.3 | -108.6 | -157 | 172.6 | -133.3 | 1.9 | 106.7 | ||||
| 297 | A | 43.8 | Very low | 50 | Low | 80 Ų | 80 | 169.8 Ų | 169.8 | 66% | 0.661 | 83% | 0.825 | S | S | * | * | cis | -161.6 | 171.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 298 | R | 45.2 | Very low | 50 | Low | 243 Ų | 243 | 165.8 Ų | 165.8 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | 99 | 102.8 | -175.1 | -64.3 | 175.1 | 172.6 | 175.2 | -2 | 110.9 | ||||
| 299 | A | 50.1 | Low | 50.2 | Low | 94 Ų | 94 | 168.5 Ų | 168.5 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | cis | 56.7 | 121.4 | 49 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 300 | T | 52.3 | Low | 50.6 | Low | 132 Ų | 132 | 163.6 Ų | 163.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | cis | -116.5 | -175.3 | 1.8 | 56.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 301 | S | 54.6 | Low | 51.3 | Low | 104 Ų | 104 | 169.4 Ų | 169.4 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -143 | -164.1 | 10.4 | -154.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 302 | W | 53.7 | Low | 51.4 | Low | 235 Ų | 235 | 166 Ų | 166 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -111.8 | 157.5 | -168.6 | -46.4 | 76.7 | 0 | 0 | 0 | 112.7 | ||||
| 303 | Y | 56.8 | Low | 51.8 | Low | 209 Ų | 209 | 168.5 Ų | 168.5 | 82% | 0.82 | 82% | 0.821 | S | S | * | * | trans | 99.5 | 111.6 | 152.9 | -151.5 | -96.8 | 0 | 0 | 0 | 120.4 | ||||
| 304 | S | 64.6 | Low | 52.7 | Low | 104 Ų | 104 | 165.6 Ų | 165.6 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -175.5 | 152.7 | 163.2 | -176.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 305 | P | 67.8 | Low | 53.1 | Low | 95 Ų | 95 | 159.1 Ų | 159.1 | 62% | 0.617 | 81% | 0.813 | S | S | * | * | cis | -125.5 | 172.2 | -2.4 | 39.3 | -24.1 | 0 | 0 | 0 | 114.6 | ||||
| 306 | Y | 63.5 | Low | 54.3 | Low | 295 Ų | 295 | 167.2 Ų | 167.2 | 100% | 1.157 | 82% | 0.822 | S | S | * | * | -119.8 | 0 | 124.6 | -94.5 | -79 | 0 | 0 | 0 | 107.2 |
Retrieved 306 of 306 residues in 101.4 ms
(Link to these results)