| 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 | 38 | Very low | 35.4 | Very low | 240 Ų | 240 | 119.9 Ų | 119.9 | 100% | 1.182 | 83% | 0.825 | S | S | * | * | 0 | 97.8 | 0 | -59.9 | 162.1 | -176.5 | 0 | 0 | 104.9 | |||||
| 2 | A | 36 | Very low | 36 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | 68.3 | 123 | 55.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | A | 33.7 | Very low | 36.3 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | cis | -152 | 153.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | V | 36.7 | Very low | 36.3 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | 58.1 | 130.7 | 98.1 | 179.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 5 | A | 34.2 | Very low | 36.1 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | cis | -175.7 | 171.4 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | A | 32.9 | Very low | 35.8 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | -171.3 | 179.1 | -23.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | E | 37.3 | Very low | 35.8 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -63.2 | 173.3 | 163.9 | -87.5 | -83.3 | 122.1 | 0 | 0 | 112.8 | ||||
| 8 | P | 48.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | cis | -137.9 | -179.3 | 16.6 | 43.9 | -26.5 | 0 | 0 | 0 | 117.3 | ||||
| 9 | G | 30.4 | Very low | 35.2 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | -96.1 | -158.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 10 | A | 32.1 | Very low | 35 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 81.7 | 148.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 11 | A | 30 | Very low | 36.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 86.4 | 110.3 | 158 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 12 | V | 42.4 | Very low | 37.4 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 30 | 123.9 | 134.7 | -169.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 13 | P | 40 | Very low | 37.5 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -104 | 133 | 158.1 | 35.5 | -27.2 | 0 | 0 | 0 | 113.9 | ||||
| 14 | T | 36.2 | Very low | 38.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -139.6 | 108.3 | 158.9 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 15 | T | 33.1 | Very low | 37.8 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 175.2 | 170.8 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 16 | T | 30.8 | Very low | 39 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -157.3 | 163.8 | -179.8 | -62.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 17 | R | 36.7 | Very low | 38.9 | Very low | 231 Ų | 231 | 130.2 Ų | 130.2 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 83.4 | 147.1 | 161 | -159.2 | 176.7 | -176.9 | -112.9 | -9.1 | 116.4 | ||||
| 18 | S | 37 | Very low | 38.5 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | -177.4 | 157.7 | -32.6 | -84.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 19 | E | 23.8 | Very low | 38.7 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -152.9 | 166.3 | 147.2 | -148.1 | 158.2 | 91.5 | 0 | 0 | 112.9 | ||||
| 20 | S | 30.3 | Very low | 38.9 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 175.5 | 178.6 | -163.2 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | P | 67.3 | Low | 38.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -126.5 | -143.2 | -22.4 | 29.3 | -3.6 | 0 | 0 | 0 | 110.7 | ||||
| 22 | P | 55.3 | Low | 38.9 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -144.9 | -166.9 | 74.1 | 37.3 | -15.2 | 0 | 0 | 0 | 116.9 | |||||
| 23 | E | 38.8 | Very low | 38.1 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -98.8 | -170.2 | -160.1 | -130.8 | -152.6 | 122.5 | 0 | 0 | 114.7 | G25 | E23-G25 PolarHBondContact OE1-N 3.49Š| ||
| 24 | P | 48.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | -138 | 157.8 | 34.3 | 40.3 | -19.7 | 0 | 0 | 0 | 120.2 | ||||
| 25 | G | 28.4 | Very low | 37.8 | Very low | 50 Ų | 50 | 140.1 Ų | 140.1 | 52% | 0.515 | 78% | 0.784 | S | S | . | * | trans | -98.1 | -133.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E23 | E23-G25 PolarHBondContact OE1-N 3.49Š| ||
| 26 | P | 59.5 | Low | 37.5 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -104.6 | -132.9 | 1 | 10.3 | 16.2 | 0 | 0 | 0 | 111.2 | ||||
| 27 | Y | 29.7 | Very low | 37.6 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | cis | -164 | 148.8 | 6.8 | -134.5 | -39.9 | 0 | 0 | 0 | 111.2 | ||||
| 28 | C | 30.7 | Very low | 38 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -136.9 | 172.7 | 173.1 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 29 | P | 51.5 | Low | 37.7 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | -144.9 | 175 | 123.2 | 36.7 | -20.6 | 0 | 0 | 0 | 115.4 | |||||
| 30 | A | 34.1 | Very low | 38 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -117.5 | -176.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | H | 31.9 | Very low | 38 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 89% | 0.889 | 76% | 0.756 | S | S | * | * | trans | -174.6 | -154.8 | 134.8 | -100.7 | -65.8 | 0 | 0 | 0 | 113.8 | ||||
| 32 | H | 30.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | -130.8 | 170.7 | -137.4 | -134.7 | -121.8 | 0 | 0 | 0 | 115.5 | ||||
| 33 | E | 25.6 | Very low | 36 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | 75 | 167.1 | 155.1 | -90 | 163.3 | 114.1 | 0 | 0 | 122.3 | ||||
| 34 | I | 29.4 | Very low | 35.8 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -144.1 | 131.7 | -153.7 | -67.9 | 163.1 | 0 | 0 | 0 | 111.9 | ||||
| 35 | P | 41.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -111 | -163 | 167.6 | 40.9 | -31.4 | 0 | 0 | 0 | 113 | ||||
| 36 | A | 26.9 | Very low | 35.7 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -147.6 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 37 | E | 33 | Very low | 34.4 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 65.3 | 171.8 | 155.7 | -74.9 | -79.3 | 84.6 | 0 | 0 | 117.8 | ||||
| 38 | P | 45.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -135.6 | 172.2 | 5.2 | 44.1 | -27.3 | 0 | 0 | 0 | 117.9 | ||||
| 39 | T | 30.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | 29.6 | 167.1 | 146.1 | 52.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 40 | D | 30.2 | Very low | 35.3 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | cis | -157.3 | 162.6 | 8.9 | -132.6 | -40.1 | 0 | 0 | 0 | 116.4 | ||||
| 41 | G | 29.1 | Very low | 35.3 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | 45.3 | -179.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 42 | P | 49.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | cis | -115.9 | 151.7 | -18.5 | 40 | -27 | 0 | 0 | 0 | 112.6 | ||||
| 43 | E | 32 | Very low | 35.7 | Very low | 178 Ų | 178 | 119 Ų | 119 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | 92.7 | 121.2 | 65 | -156.8 | -155.7 | 118.5 | 0 | 0 | 116.2 | |||||
| 44 | S | 32.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 177.1 | 143.8 | 142.4 | -80.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 45 | G | 28.2 | Very low | 36.1 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -111.3 | -151.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 46 | P | 48.5 | Very low | 35.7 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | cis | -113.5 | -160 | -5 | 43.7 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 47 | G | 31.5 | Very low | 36 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | cis | 126.3 | 119.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 48 | G | 31.2 | Very low | 35.9 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 168.8 | 142.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 49 | N | 32.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -171.7 | 178.8 | -179.6 | -150 | 12.2 | 0 | 0 | 0 | 108.2 | ||||
| 50 | P | 65.7 | Low | 35.8 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 54% | 0.539 | 79% | 0.787 | S | S | . | * | cis | -124.6 | -160.5 | -24 | 41.9 | -23.8 | 0 | 0 | 0 | 112.1 | ||||
| 51 | D | 36 | Very low | 35.9 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | 166.6 | 158.3 | 103.2 | -154.9 | -133.3 | 0 | 0 | 0 | 115.4 | |||||
| 52 | N | 35.8 | Very low | 36 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -7.9 | 159.9 | 173.4 | -65.4 | -53 | 0 | 0 | 0 | 123.4 | ||||
| 53 | G | 33.1 | Very low | 36.1 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 119.1 | 139 | -5.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 54 | E | 30.6 | Very low | 36.2 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -162.6 | 169.8 | 153.8 | -127.6 | -170.6 | 99.4 | 0 | 0 | 113.3 | ||||
| 55 | S | 34.2 | Very low | 36.2 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -161 | 138 | -170.8 | -176.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 56 | R | 32 | Very low | 36.7 | Very low | 224 Ų | 224 | 140.8 Ų | 140.8 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -168.8 | 129.9 | 162.4 | -100.7 | 156.8 | 178.8 | -92.7 | 1.2 | 106.4 | ||||
| 57 | E | 33.6 | Very low | 36.8 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | cis | 70.6 | 100.3 | 39.5 | -165.6 | 174.8 | 121.9 | 0 | 0 | 115.5 | ||||
| 58 | S | 31.7 | Very low | 36.7 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -171.4 | 178.4 | 139.3 | -85.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | R | 34.5 | Very low | 36.7 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -114.1 | 166.8 | -156.6 | -54.1 | 177.5 | -169.3 | -177.6 | 3.3 | 114.4 | ||||
| 60 | H | 38.5 | Very low | 36.6 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -55.3 | 144.5 | 173.3 | -56.6 | -101.4 | 0 | 0 | 0 | 114.3 | ||||
| 61 | V | 32.6 | Very low | 35.9 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | -166.3 | 144.1 | 122.5 | 167.9 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 62 | G | 31.9 | Very low | 35.6 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 137.7 | 152.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 63 | P | 50.9 | Low | 35.6 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -121.6 | -164.3 | -155 | 42.9 | -27.9 | 0 | 0 | 0 | 115.6 | ||||
| 64 | E | 34.4 | Very low | 36.3 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -46 | 146.7 | -176 | -57.5 | 175.9 | 72.2 | 0 | 0 | 117.4 | ||||
| 65 | Q | 32.5 | Very low | 36.6 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | -167.7 | 157.9 | 106.9 | -103.8 | 151.5 | 104 | 0 | 0 | 114.5 | |||||
| 66 | N | 38.9 | Very low | 36.7 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -129 | 140.6 | 163.8 | -145.4 | -20.3 | 0 | 0 | 0 | 104.4 | ||||
| 67 | P | 50.4 | Low | 36.5 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | -150.4 | -177.9 | 95.1 | 38.9 | -21.1 | 0 | 0 | 0 | 114.2 | |||||
| 68 | G | 30.3 | Very low | 36.4 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -129.3 | -169.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 69 | A | 31.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -148.9 | 156.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | G | 30.7 | Very low | 36.3 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -92.7 | -144.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 71 | P | 49.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | -143 | 166.1 | 11.2 | 44.7 | -27 | 0 | 0 | 0 | 117.7 | ||||
| 72 | V | 30.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 60.2 | 142.5 | 132.5 | 171.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 73 | L | 36.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 170 | 174.2 | -51.8 | 170.1 | 0 | 0 | 0 | 112 | ||||
| 74 | P | 47.1 | Very low | 34.8 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | -146.3 | -175.9 | 91.3 | 39.5 | -23.5 | 0 | 0 | 0 | 114.2 | |||||
| 75 | A | 37.7 | Very low | 34.6 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 143.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 76 | T | 35.4 | Very low | 34.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -151.9 | 123 | 166.7 | 47.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 77 | D | 28.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | 92.3 | 130.1 | 52.8 | -168.3 | 30.1 | 0 | 0 | 0 | 113 | |||||
| 78 | R | 31.7 | Very low | 33.2 | Very low | 208 Ų | 208 | 126.3 Ų | 126.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 60.8 | 162.7 | 176 | -69.8 | 136.1 | -165.2 | -102.6 | -11.9 | 121.3 | ||||
| 79 | T | 31.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -175.7 | 174.9 | -39.6 | -72.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 80 | T | 32 | Very low | 33.4 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 81.3 | 127.4 | 155.6 | -48.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 81 | E | 28.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | cis | -169 | 170 | -22.7 | -136.5 | 161.6 | -136.7 | 0 | 0 | 110.7 | ||||
| 82 | G | 31.3 | Very low | 32.8 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 87.6 | 168.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 83 | Q | 29 | Very low | 33.2 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | cis | -163.4 | 137.5 | -9.4 | -174 | 61.6 | 5.7 | 0 | 0 | 110.6 | ||||
| 84 | L | 34.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | 59.7 | 116.1 | 161.9 | -72.6 | 166 | 0 | 0 | 0 | 121.3 | ||||
| 85 | D | 29.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | 54.7 | 145.5 | 117 | -87.6 | -79.3 | 0 | 0 | 0 | 126.3 | |||||
| 86 | R | 32.7 | Very low | 32.6 | Very low | 221 Ų | 221 | 136 Ų | 136 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | 76.1 | 98.7 | 144.4 | -87.5 | -178 | 159 | -177.7 | -6.8 | 122.8 | ||||
| 87 | S | 30.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | 58 | 100.9 | 117 | 67 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 88 | G | 29.1 | Very low | 32.6 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | 86.7 | 158.5 | 115.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 89 | T | 31.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | 65.8 | 147.3 | 160.5 | 54.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 90 | T | 35.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -168.7 | 173.7 | -0.1 | 16.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | E | 36 | Very low | 33.8 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | 60.4 | 160.4 | 166.4 | -27.4 | -51.9 | 39.7 | 0 | 0 | 118.3 | ||||
| 92 | D | 30.3 | Very low | 33.9 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | cis | -119.6 | 147.8 | -1 | -89.8 | -87.9 | 0 | 0 | 0 | 109.7 | ||||
| 93 | V | 39.4 | Very low | 33.8 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 58% | 0.582 | 73% | 0.731 | S | S | * | * | cis | 79.7 | 136.8 | 35.5 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 94 | L | 37.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | cis | -85.5 | -131.8 | -1.8 | -62.5 | 159.2 | 0 | 0 | 0 | 110.8 | ||||
| 95 | N | 33.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | -169.5 | 148.3 | -5.9 | -126.3 | -9.2 | 0 | 0 | 0 | 106.8 | ||||
| 96 | R | 36.3 | Very low | 33.1 | Very low | 206 Ų | 206 | 129.6 Ų | 129.6 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | cis | -163.4 | 166.7 | -20.1 | -139 | -174.5 | -175.2 | -90.1 | 4.9 | 110 | ||||
| 97 | S | 33.3 | Very low | 32.7 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | 26 | 131.2 | 154.5 | -60.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 98 | G | 32 | Very low | 32.5 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | 152.6 | 146.7 | -15 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 99 | V | 32.9 | Very low | 32.5 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | 75.4 | 105.4 | 151.2 | -168.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 100 | H | 29.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | 41.2 | 162.5 | 117.5 | -108.2 | -123 | 0 | 0 | 0 | 122 | |||||
| 101 | P | 56.3 | Low | 32.2 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | cis | -135.7 | -177.1 | 12.2 | 44.3 | -26.8 | 0 | 0 | 0 | 117.7 | ||||
| 102 | D | 30.7 | Very low | 32.3 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 153.8 | 168.7 | -167.2 | 1.4 | 0 | 0 | 0 | 113.2 | ||||
| 103 | Q | 30.2 | Very low | 32.6 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 169.6 | 168.7 | 141.9 | -98 | 165.8 | 116 | 0 | 0 | 115.3 | ||||
| 104 | T | 27.1 | Very low | 32.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -103.1 | 174.7 | -175.7 | 50.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 105 | A | 26.1 | Very low | 32 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 86.7 | 140.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 106 | T | 23.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 61.3 | 108.8 | 148.2 | 46.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 107 | T | 24.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 61.6 | 101 | 118.8 | -44.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 108 | G | 26.4 | Very low | 32.1 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -141.6 | 39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 109 | L | 29.7 | Very low | 32.2 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 16.4 | 118 | 159.6 | -62.9 | 170.3 | 0 | 0 | 0 | 119.7 | ||||
| 110 | S | 28.3 | Very low | 32.3 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -154 | 107.7 | 147.4 | -79.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | N | 31.1 | Very low | 33.3 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 69.6 | 107.4 | 150.8 | -53.7 | -30.6 | 0 | 0 | 0 | 121.3 | ||||
| 112 | L | 39.7 | Very low | 32 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 78.3 | 148.5 | 134.9 | -58.1 | 175.2 | 0 | 0 | 0 | 118.6 | ||||
| 113 | P | 35 | Very low | 32.2 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -137.1 | 163.7 | -128.8 | 44 | -28.1 | 0 | 0 | 0 | 118 | |||||
| 114 | V | 33.9 | Very low | 33 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 55.5 | 124.2 | 133.4 | 170.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 115 | D | 30.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | cis | -166.1 | -168.5 | 4.1 | -142.2 | -67.9 | 0 | 0 | 0 | 111.7 | ||||
| 116 | C | 31 | Very low | 33.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | 87.4 | 145.1 | 157.9 | -71.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 117 | S | 40.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 134.5 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 118 | G | 33 | Very low | 35.8 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 170.5 | 111.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 119 | S | 35.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 60.3 | 139.8 | 147.2 | -62.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 120 | E | 34.5 | Very low | 36.5 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -13.7 | 147.4 | 133.3 | -69.7 | -161.6 | 108.2 | 0 | 0 | 117.2 | ||||
| 121 | R | 50.8 | Low | 37 | Very low | 197 Ų | 197 | 132 Ų | 132 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | cis | -162.2 | 168.3 | 11.1 | -100.1 | 154.9 | -157.1 | 163.8 | 17.7 | 107.7 | ||||
| 122 | V | 29.3 | Very low | 37.1 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 165 | 163.4 | 135.1 | 153.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 123 | F | 34.5 | Very low | 36.9 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 161.7 | -177.7 | -75.3 | -103.3 | 0 | 0 | 0 | 115.3 | ||||
| 124 | P | 47.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -84.6 | 136.2 | -177.6 | 33.2 | -35.2 | 0 | 0 | 0 | 114.6 | ||||
| 125 | G | 32.1 | Very low | 36.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -169.8 | 130.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 126 | L | 38.3 | Very low | 36.9 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -113.1 | 165.4 | -175.6 | -77.3 | 169.8 | 0 | 0 | 0 | 110.4 | ||||
| 127 | P | 56.6 | Low | 37 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -139.2 | 176.8 | -18 | 35.1 | -15.5 | 0 | 0 | 0 | 116.3 | ||||
| 128 | N | 32.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 83.8 | 141.7 | 148.2 | -76 | 6.7 | 0 | 0 | 0 | 124.6 | ||||
| 129 | S | 37.7 | Very low | 37.4 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 69.7 | 98.4 | 153.1 | 47.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 130 | D | 34.3 | Very low | 37.2 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 80.1 | 124.8 | 123.6 | -59.4 | -50.1 | 0 | 0 | 0 | 124.9 | |||||
| 131 | S | 37.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 93.8 | 112.8 | 137 | 71.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 132 | T | 34.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 77.4 | 143.9 | 137.1 | 55.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 133 | S | 35 | Very low | 37.1 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 77.4 | 99.2 | 153.3 | -159.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 134 | T | 33 | Very low | 38.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 20.6 | 126.5 | 116.2 | -50 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 135 | Y | 34.3 | Very low | 38.2 | Very low | 209 Ų | 209 | 130 Ų | 130 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | -163 | 171.1 | 119.4 | -108.9 | -70.7 | 0 | 0 | 0 | 113 | |||||
| 136 | Q | 32.4 | Very low | 38.2 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -72.9 | 175 | 176.5 | -66.5 | 158.9 | -30.7 | 0 | 0 | 110.1 | ||||
| 137 | T | 33 | Very low | 37.9 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | cis | -161.1 | 165.3 | 37.4 | -41.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 138 | I | 32.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -100.4 | -171.6 | 173.7 | 17.6 | 170.2 | 0 | 0 | 0 | 109.9 | ||||
| 139 | P | 50.8 | Low | 37.1 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | -133.9 | -158 | -37.5 | 31 | -8.4 | 0 | 0 | 0 | 112 | ||||
| 140 | L | 31.3 | Very low | 37 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 93.1 | 124.2 | 146.2 | -75.4 | 164.5 | 0 | 0 | 0 | 123 | ||||
| 141 | D | 37.8 | Very low | 37 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | trans | -52.9 | 147.1 | 147.3 | 178.6 | 54.3 | 0 | 0 | 0 | 111.7 | Q143 | D141-Q143 PolarHBondContact OD1-N 2.94Š| ||
| 142 | P | 43.7 | Very low | 37.3 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -155.2 | 135.9 | 92 | 37.7 | -16.5 | 0 | 0 | 0 | 119 | |||||
| 143 | Q | 30.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 69.5 | 166.2 | 134.9 | -67.5 | -64.3 | -48.8 | 0 | 0 | 120.9 | D141 | D141-Q143 PolarHBondContact OD1-N 2.94Š| ||
| 144 | P | 57 | Low | 37.8 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -99.9 | -166.6 | -170.5 | 44.2 | -39.3 | 0 | 0 | 0 | 112.3 | ||||
| 145 | P | 48.6 | Very low | 38.3 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -141.7 | -158.7 | 8.9 | 45.6 | -24.9 | 0 | 0 | 0 | 116.7 | ||||
| 146 | A | 30.6 | Very low | 38.4 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | 81.8 | 132.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 147 | V | 33.1 | Very low | 39.5 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | -167.9 | 171 | 101 | -84.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 148 | F | 32.9 | Very low | 39.6 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -90.9 | 160.2 | -177 | -97 | -120.3 | 0 | 0 | 0 | 114.4 | ||||
| 149 | L | 38.5 | Very low | 39.9 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 16.1 | 133.7 | 149.5 | -58.4 | 175.5 | 0 | 0 | 0 | 120.9 | ||||
| 150 | H | 35.6 | Very low | 39.5 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 93% | 0.931 | 77% | 0.771 | S | S | * | * | trans | -143.6 | 158.1 | 131.8 | -90.5 | -65.7 | 0 | 0 | 0 | 110.9 | ||||
| 151 | S | 34.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 171.7 | -157.3 | -56.4 | 0 | 0 | 0 | 0 | 116 | ||
| 152 | V | 43.3 | Very low | 39.6 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.9 | 168.4 | 177 | 0 | 0 | 0 | 0 | 112.1 | ||
| 153 | P | 47.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141 | 167.2 | 34 | -33.6 | 0 | 0 | 0 | 113.4 | ||
| 154 | D | 32.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 158.4 | -173.5 | -119.1 | -9.4 | 0 | 0 | 0 | 115.1 | ||
| 155 | P | 44 | Very low | 38.2 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 157.8 | 152.7 | 34.6 | -32.7 | 0 | 0 | 0 | 112.4 | ||
| 156 | A | 36.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -124.5 | 164.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 157 | P | 56.1 | Low | 37.6 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | -137.4 | -179.6 | -126 | 44.5 | -28.9 | 0 | 0 | 0 | 118.4 | |||||
| 158 | V | 34.6 | Very low | 38.3 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 57.2 | 167.8 | 162.4 | -57.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 159 | S | 37.5 | Very low | 38.2 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | cis | -149.9 | 168.4 | 0.9 | -149.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 160 | E | 43.3 | Very low | 37.9 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 34.7 | 133.1 | 149.9 | -71.7 | 156.8 | 98.7 | 0 | 0 | 124.1 | ||||
| 161 | A | 38.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | 167.4 | 149.1 | 98.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 162 | G | 32.6 | Very low | 38.4 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 98.9 | 62.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 163 | L | 33.6 | Very low | 37.9 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | 32.5 | 153 | 135.8 | -60 | 174 | 0 | 0 | 0 | 125.1 | ||||
| 164 | S | 35.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 84 | 142.9 | 153 | -62.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 165 | L | 32.3 | Very low | 37.3 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | cis | -157.9 | 158.9 | -3.2 | -150.8 | 75.4 | 0 | 0 | 0 | 112.9 | ||||
| 166 | A | 32.9 | Very low | 36.6 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 81.8 | 139.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 167 | E | 33.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -96.7 | -178.8 | 177.4 | -122.5 | -156.2 | 86.4 | 0 | 0 | 111 | ||||
| 168 | P | 47.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | cis | -144 | 179.3 | 32 | 42.9 | -22.4 | 0 | 0 | 0 | 119.6 | ||||
| 169 | A | 30.7 | Very low | 35.4 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 107.6 | 115.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 170 | E | 31.9 | Very low | 35 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -82.2 | -170.3 | 162.7 | -56.3 | -169.5 | 97.7 | 0 | 0 | 111.7 | ||||
| 171 | P | 49.7 | Very low | 34.3 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -138.8 | 178.8 | -0.7 | 40.8 | -21.9 | 0 | 0 | 0 | 117.3 | ||||
| 172 | T | 30.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | 147.1 | 108.4 | 128.4 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 173 | E | 33.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 52 | 140.6 | 149.2 | -58.4 | 178.5 | 170.9 | 0 | 0 | 121.2 | ||||
| 174 | T | 32.4 | Very low | 33.7 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | cis | -159.2 | 144.1 | -4.2 | 14 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 175 | T | 35.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 36.2 | 117.9 | 157.8 | 50.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 176 | E | 30.1 | Very low | 33.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | 71.5 | 121 | 62.9 | -66.2 | -178 | 167.3 | 0 | 0 | 113.5 | |||||
| 177 | L | 38.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | cis | 68.5 | 123.9 | 16.1 | -107.5 | 158.3 | 0 | 0 | 0 | 112.8 | ||||
| 178 | D | 30.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | cis | -151.5 | -162.4 | 25.6 | -162.4 | 14.4 | 0 | 0 | 0 | 114.8 | ||||
| 179 | R | 33.6 | Very low | 31.6 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -50.4 | 179.4 | 168.3 | -53 | 144.6 | -177 | 111.9 | -2.3 | 114 | ||||
| 180 | C | 28 | Very low | 31.5 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | cis | -170.2 | 149.3 | 25.1 | -142.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 181 | Y | 28.8 | Very low | 31.6 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 56.6 | 164.8 | 138.1 | -107.5 | -98.7 | 0 | 0 | 0 | 125.9 | ||||
| 182 | T | 31.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 92.6 | 163.6 | 164.5 | 67.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 183 | I | 26.7 | Very low | 31 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -154.5 | 135.6 | -150.2 | -81 | 178 | 0 | 0 | 0 | 109.9 | ||||
| 184 | L | 34 | Very low | 30.9 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 63.4 | 155.7 | 169.6 | -61 | 166.5 | 0 | 0 | 0 | 115.9 | ||||
| 185 | E | 28.9 | Very low | 30.9 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | -156.3 | 176.4 | 0.5 | -136.7 | 165.8 | 134.5 | 0 | 0 | 113.4 | ||||
| 186 | Q | 26.1 | Very low | 30.5 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | 76.6 | 118.8 | 152.2 | -78.6 | 172.3 | 11.5 | 0 | 0 | 124.3 | ||||
| 187 | E | 29.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 64.1 | 139.5 | 127 | -74.6 | 176.9 | 111.4 | 0 | 0 | 126.7 | |||||
| 188 | E | 26.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 47.1 | 110.9 | 147.4 | -146.1 | -173.7 | 120.5 | 0 | 0 | 121.9 | ||||
| 189 | L | 26.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | -178.1 | 165.3 | 102.1 | -113.7 | 106.7 | 0 | 0 | 0 | 113.6 | |||||
| 190 | V | 30.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -116.5 | 133.2 | -178.6 | 163.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 191 | P | 33.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | -151.1 | 165.6 | 101.1 | 38.6 | -20 | 0 | 0 | 0 | 117.3 | |||||
| 192 | G | 24.2 | Very low | 30.1 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -83 | -151.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 193 | P | 43.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | cis | -143.7 | -168.5 | 30.5 | 44.1 | -25.3 | 0 | 0 | 0 | 116 | ||||
| 194 | A | 30.9 | Very low | 30.6 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | 65.5 | 149.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 195 | E | 32.6 | Very low | 30.6 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | cis | -160.9 | 165.5 | -10.9 | 49.4 | -168.4 | 49.3 | 0 | 0 | 106.6 | ||||
| 196 | D | 26.8 | Very low | 30.7 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | cis | -130.6 | -142.6 | 10.6 | -174.8 | -135 | 0 | 0 | 0 | 107.4 | ||||
| 197 | S | 31.1 | Very low | 30.8 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -151.9 | 160.4 | 4.7 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 198 | V | 31.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 160.5 | 169.5 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 199 | L | 32.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -155.3 | 154.2 | 39 | -93.3 | 175.4 | 0 | 0 | 0 | 113.2 | ||||
| 200 | D | 28.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 37.7 | 149.1 | 137.8 | -89.1 | -159.4 | 0 | 0 | 0 | 123.6 | ||||
| 201 | E | 29.4 | Very low | 30.8 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -156.9 | 157.4 | -4.6 | -156.1 | -157.9 | 41.9 | 0 | 0 | 110.4 | ||||
| 202 | N | 27.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | trans | 83.4 | 137.1 | 140.9 | -129.7 | -36.5 | 0 | 0 | 0 | 124.1 | ||||
| 203 | S | 31.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 65.1 | 108.2 | 151.4 | -71.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 204 | E | 36.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -58.4 | 156.4 | 141.8 | -69.2 | -177.7 | 72.5 | 0 | 0 | 111.4 | ||||
| 205 | P | 34.2 | Very low | 30 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -136.9 | 150.7 | 115.7 | 37.5 | -29.1 | 0 | 0 | 0 | 114.7 | |||||
| 206 | A | 30.3 | Very low | 30.1 | Very low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | trans | -74.1 | 161.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 207 | N | 29.8 | Very low | 30.3 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | 61.8 | 95 | 165.6 | -65 | -26.6 | 0 | 0 | 0 | 117.6 | ||||
| 208 | G | 27.8 | Very low | 30.2 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -138.7 | 4.9 | -174 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 209 | F | 27.2 | Very low | 30.2 | Very low | 199 Ų | 199 | 133 Ų | 133 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | trans | 67.8 | 123.8 | 163.9 | -156.4 | -115.9 | 0 | 0 | 0 | 121.2 | ||||
| 210 | C | 28.6 | Very low | 30.3 | Very low | 84 Ų | 84 | 134 Ų | 134 | 57% | 0.568 | 77% | 0.768 | S | S | * | * | trans | 88.9 | 126.9 | 146.7 | -107.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 211 | K | 28.4 | Very low | 30.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | 72.1 | 132.2 | 158.8 | -62.9 | 168.4 | -174.8 | 170.6 | 0 | 115.2 | ||||
| 212 | S | 28.3 | Very low | 31 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -158.2 | 179.6 | 15.6 | 51 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 213 | S | 31.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 53.3 | 81.8 | 164.5 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | G215 | S213-G215 PolarHBondContact O-N 3.45Š| ||
| 214 | S | 27.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 101 | 148.4 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | P216 | S214-P216 WeakPolarHBondContact O-CD 3.33Š| ||
| 215 | G | 28.4 | Very low | 33.7 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 116.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S213 | S213-G215 PolarHBondContact O-N 3.45Š|
| 216 | P | 34.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 156.5 | 173.5 | 30.9 | -34.2 | 0 | 0 | 0 | 110.6 | S214 H218 | S214-P216 WeakPolarHBondContact O-CD 3.33Å; P216-H218 PolarHBondContact O-N 2.86Å |
| 217 | K | 30.5 | Very low | 36.7 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 130.5 | 169.5 | -57.8 | 170.7 | -176.6 | 175.6 | 0 | 108.8 | E219 | K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 PolarHBondContact O-N 2.86Å; K217-E219 VanDerWaalsContact O-N 3.12Å |
| 218 | H | 30 | Very low | 38.8 | Very low | 176 Ų | 176 | 115.6 Ų | 115.6 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | trans | -79 | 93.8 | 160.4 | -159.5 | -53.8 | 0 | 0 | 0 | 107 | P216 | P216-H218 PolarHBondContact O-N 2.86Š| ||
| 219 | E | 32 | Very low | 41 | Very low | 143 Ų | 143 | 115 Ų | 115 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | trans | -63 | 161.5 | 171.9 | -58.5 | -173.3 | 118.3 | 0 | 0 | 109.8 | K217 S221 | K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 PolarHBondContact O-N 2.86Å; K217-E219 VanDerWaalsContact O-N 3.12Å; E219-S221 PolarHBondContact O-N 2.98Å | ||
| 220 | D | 33.5 | Very low | 43.4 | Very low | 166 Ų | 166 | 113.2 Ų | 113.2 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | -63.9 | 102.4 | 165.2 | -109.5 | -48.9 | 0 | 0 | 0 | 107.5 | S222 | D220-S222 PolarHBondContact O-N 2.99Š| ||
| 221 | S | 31.9 | Very low | 45.8 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -65.7 | 89.4 | 172.6 | -70.7 | 0 | 0 | 0 | 0 | 108.4 | E219 G223 | E219-S221 PolarHBondContact O-N 2.98Å; S221-G223 PolarHBondContact O-N 3.2Å | ||
| 222 | S | 42.3 | Very low | 48.5 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | -61.1 | 85.7 | 166.2 | 60.9 | 0 | 0 | 0 | 0 | 108 | D220 S224 | D220-S222 PolarHBondContact O-N 2.99Å; S222-S224 PolarHBondContact O-N 3.12Å | ||
| 223 | G | 39.1 | Very low | 51.3 | Low | 66 Ų | 66 | 105 Ų | 105 | 68% | 0.68 | 64% | 0.641 | S | S | * | * | trans | -56.6 | 112.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | S221 E225 | S221-G223 PolarHBondContact O-N 3.2Å; G223-E225 PolarHBondContact O-N 3.38Å | ||
| 224 | S | 51.8 | Low | 53.9 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | trans | -60.9 | 105.7 | 170.2 | 53.3 | 0 | 0 | 0 | 0 | 106.9 | S222 P226 | S222-S224 PolarHBondContact O-N 3.12Å; S224-P226 VanDerWaalsContact O-N 3.13Å | ||
| 225 | E | 59.8 | Low | 56.4 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | trans | -49.6 | 123.7 | 171.9 | -81.7 | -73.9 | 129.1 | 0 | 0 | 107.4 | G223 S227 | G223-E225 PolarHBondContact O-N 3.38Å; E225-S227 PolarHBondContact O-N 2.97Å; E225-S227 PolarHBondContact O-OG 3.2Å | ||
| 226 | P | 64.8 | Low | 59.2 | Low | 31 Ų | 31 | 103.4 Ų | 103.4 | 20% | 0.201 | 62% | 0.624 | C | S | . | * | trans | -57.5 | 122 | -172.2 | 21.8 | -31.8 | 0 | 0 | 0 | 108.2 | S224 D231 L232 F254 L256 | S224-P226 VanDerWaalsContact O-N 3.13Å; P226-D231 HydrophobicContact CB-CB 3.83Å; P226-L232 HydrophobicContact CB-CD2 3.8Å; P226-L232 HydrophobicContact CG-CD2 3.68Å; P226-F254 HydrophobicContact CG-CZ 4.27Å; P226-L256 HydrophobicContact CB-CD1 3.8Å; P226-L256 HydrophobicContact CG-CD1 3.72Å; P226-L256 WeakPolarHBondContact O-CD1 3.41Å | ||
| 227 | S | 63 | Low | 61.9 | Low | 98 Ų | 98 | 106.7 Ų | 106.7 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | trans | -89.9 | -14 | -168.8 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | E225 D231 | E225-S227 PolarHBondContact O-N 2.97Å; E225-S227 PolarHBondContact O-OG 3.2Å; S227-D231 PolarHBondContact N-OD2 3.05Å | ||
| 228 | S | 75.1 | Confident | 64.7 | Low | 42 Ų | 42 | 100.4 Ų | 100.4 | 29% | 0.294 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -141.2 | 165.1 | 178.7 | 79.7 | 0 | 0 | 0 | 0 | 112.4 | L230 D231 | S228-L230 PolarHBondContact O-N 2.96Å; S228-L230 PolarHBondContact OG-N 2.87Å; S228-D231 WeakPolarHBondContact CA-OD2 3.36Å; S228-D231 WeakPolarHBondContact CB-OD2 3.5Å; S228-D231 PolarHBondContact N-OD2 2.71Å; S228-D231 PolarHBondContact O-N 2.81Å; S228-D231 VanDerWaalsContact OG-CG 3.27Å; S228-D231 PolarHBondContact OG-OD2 3.16Å |
| 229 | V | 72.8 | Confident | 67.6 | Low | 66 Ų | 66 | 102 Ų | 102 | 40% | 0.4 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -64.1 | -22.4 | 172.4 | -178 | 0 | 0 | 0 | 0 | 111.8 | D231 L232 L256 F261 | V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.34Å; V229-L232 PolarHBondContact O-N 3.31Å; V229-L256 HydrophobicContact CB-CD2 4.13Å; V229-L256 HydrophobicContact CG2-CD2 3.51Å; V229-F261 HydrophobicContact CG2-CZ 4.01Å |
| 230 | L | 78.9 | Confident | 70.6 | Confident | 162 Ų | 162 | 98.4 Ų | 98.4 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -74.1 | -20.9 | -177.9 | -53.3 | 178.1 | 0 | 0 | 0 | 112.3 | S228 L232 | S228-L230 PolarHBondContact O-N 2.96Å; S228-L230 PolarHBondContact OG-N 2.87Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 3.31Å |
| 231 | D | 79.1 | Confident | 73.3 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -81 | -8.2 | 177.9 | -49.6 | -53.6 | 0 | 0 | 0 | 112.6 | P226 S227 S228 V229 | P226-D231 HydrophobicContact CB-CB 3.83Å; S227-D231 PolarHBondContact N-OD2 3.05Å; S228-D231 WeakPolarHBondContact CA-OD2 3.36Å; S228-D231 WeakPolarHBondContact CB-OD2 3.5Å; S228-D231 PolarHBondContact N-OD2 2.71Å; S228-D231 PolarHBondContact O-N 2.81Å; S228-D231 VanDerWaalsContact OG-CG 3.27Å; S228-D231 PolarHBondContact OG-OD2 3.16Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.34Å |
| 232 | L | 84.9 | Confident | 76.3 | Confident | 55 Ų | 55 | 94 Ų | 94 | 29% | 0.288 | 57% | 0.566 | S | S | . | * | trans | -94.5 | 109.6 | -176.1 | -60.6 | -179.9 | 0 | 0 | 0 | 111.9 | P226 V229 L230 T236 V238 F254 L256 | P226-L232 HydrophobicContact CB-CD2 3.8Å; P226-L232 HydrophobicContact CG-CD2 3.68Å; V229-L232 PolarHBondContact O-N 3.31Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-T236 HydrophobicContact CD2-CG2 4.37Å; L232-V238 HydrophobicContact CD2-CG2 4.04Å; L232-F254 HydrophobicContact CD1-CE1 3.99Å; L232-L256 HydrophobicContact CD1-CD1 4.12Å; L232-L256 HydrophobicContact CD1-CD2 3.68Å; L232-L256 HydrophobicContact CD2-CD1 4.3Å; L232-L256 HydrophobicContact CG-CD1 4.32Å; L232-L256 HydrophobicContact CG-CD2 4.4Å | ||
| 233 | S | 86.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 92.9 Ų | 92.9 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | trans | -100.3 | 154 | 175.1 | 79.4 | 0 | 0 | 0 | 0 | 112.1 | G235 T236 | S233-G235 PolarHBondContact O-N 2.82Å; S233-T236 PolarHBondContact N-OG1 3.03Å; S233-T236 VanDerWaalsContact N-OG1 3.11Å; S233-T236 WeakPolarHBondContact O-CB 3.36Å; S233-T236 PolarHBondContact O-N 2.87Å; S233-T236 PolarHBondContact O-OG1 2.76Å; S233-T236 PolarHBondContact OG-OG1 2.76Å | ||
| 234 | P | 85.3 | Confident | 81.2 | Confident | 135 Ų | 135 | 95.6 Ų | 95.6 | 88% | 0.877 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 91.2 | 171.7 | -22.1 | 34.7 | 0 | 0 | 0 | 112.1 | ||
| 235 | G | 80.9 | Confident | 82.9 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 78% | 0.784 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.7 | -12.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | S233 E237 | S233-G235 PolarHBondContact O-N 2.82Å; G235-E237 PolarHBondContact O-N 3.47Å |
| 236 | T | 87.9 | Confident | 84.1 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | trans | -59.6 | 124.3 | 168 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | L232 S233 V238 | L232-T236 HydrophobicContact CD2-CG2 4.37Å; S233-T236 PolarHBondContact N-OG1 3.03Å; S233-T236 VanDerWaalsContact N-OG1 3.11Å; S233-T236 WeakPolarHBondContact O-CB 3.36Å; S233-T236 PolarHBondContact O-N 2.87Å; S233-T236 PolarHBondContact O-OG1 2.76Å; S233-T236 PolarHBondContact OG-OG1 2.76Å; T236-V238 HydrophobicContact CG2-CG2 4.05Å | ||
| 237 | E | 89.1 | Confident | 85 | Confident | 191 Ų | 191 | 99 Ų | 99 | 89% | 0.893 | 56% | 0.557 | S | S | * | * | trans | -76.6 | 136.4 | 169.2 | -173.2 | 174.4 | 164.9 | 0 | 0 | 109.6 | G235 | G235-E237 PolarHBondContact O-N 3.47Š| ||
| 238 | V | 90.2 | Very high | 85.8 | Confident | 50 Ų | 50 | 97.8 Ų | 97.8 | 30% | 0.303 | 54% | 0.543 | S | S | . | . | trans | -135.5 | 128.9 | -171.5 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | L232 T236 V240 F254 | L232-V238 HydrophobicContact CD2-CG2 4.04Å; T236-V238 HydrophobicContact CG2-CG2 4.05Å; V238-V240 HydrophobicContact CG1-CG1 4.46Å; V238-F254 HydrophobicContact CG1-CD1 3.91Å; V238-F254 HydrophobicContact CG1-CD2 3.36Å; V238-F254 HydrophobicContact CG1-CE1 3.73Å; V238-F254 HydrophobicContact CG1-CE2 3.21Å; V238-F254 HydrophobicContact CG1-CG 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å | ||
| 239 | R | 91.2 | Very high | 86.5 | Confident | 210 Ų | 210 | 96.1 Ų | 96.1 | 79% | 0.792 | 53% | 0.532 | S | S | * | . | trans | -78.8 | 131.5 | 175.2 | -68 | 178.3 | 174.9 | 177.2 | -0.4 | 109.8 | F254 | R239-F254 WeakPolarHBondContact O-CD2 3.26Š| ||
| 240 | V | 94.1 | Very high | 87.4 | Confident | 66 Ų | 66 | 96.4 Ų | 96.4 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | trans | -120 | 142.4 | -179 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | V238 V252 F254 L265 | V238-V240 HydrophobicContact CG1-CG1 4.46Å; V240-V252 HydrophobicContact CB-CB 4.18Å; V240-V252 HydrophobicContact CB-CG2 4.39Å; V240-V252 HydrophobicContact CG2-CB 3.84Å; V240-V252 HydrophobicContact CG2-CG1 3.89Å; V240-V252 HydrophobicContact CG2-CG2 4.1Å; V240-F254 HydrophobicContact CG1-CB 4.08Å; V240-L265 HydrophobicContact CG2-CD1 4.27Å | ||
| 241 | S | 91.6 | Very high | 88.1 | Confident | 71 Ų | 71 | 89.8 Ų | 89.8 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.5 | 174 | -63.6 | 0 | 0 | 0 | 0 | 110 | V252 S253 | S241-V252 CarbonylContact O-C 3.54Å; S241-V252 WeakPolarHBondContact O-CA 3.35Å; S241-V252 WeakPolarHBondContact O-CB 3.18Å; S241-S253 WeakPolarHBondContact CB-O 3.32Å; S241-S253 PolarHBondContact N-O 2.7Å; S241-S253 PolarHBondContact O-N 2.81Å |
| 242 | L | 93.9 | Very high | 88.9 | Confident | 100 Ų | 100 | 86.1 Ų | 86.1 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.5 | 175.4 | 179.7 | 62.8 | 0 | 0 | 0 | 109.8 | V245 L250 V252 | L242-V245 HydrophobicContact CD1-CG2 4.31Å; L242-V245 HydrophobicContact CD2-CG2 3.86Å; L242-V245 HydrophobicContact CG-CG2 4.36Å; L242-L250 HydrophobicContact CD1-CB 3.85Å; L242-L250 HydrophobicContact CD1-CD2 4.03Å; L242-L250 HydrophobicContact CD1-CG 4.37Å; L242-V252 HydrophobicContact CD1-CG1 4.17Å |
| 243 | E | 93 | Very high | 89.3 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -47 | -179.3 | -59.6 | -169.8 | 146.4 | 0 | 0 | 112 | V251 S253 | E243-V251 HydrophobicContact CB-CG1 4.47Å; E243-V251 PolarHBondContact N-O 2.79Å; E243-S253 VanDerWaalsContact CD-OG 3.23Å; E243-S253 WeakPolarHBondContact CG-OG 3.38Å; E243-S253 WeakPolarHBondContact OE1-CB 3.2Å; E243-S253 PolarHBondContact OE1-OG 3.44Å |
| 244 | H | 90.3 | Very high | 89.7 | Confident | 124 Ų | 124 | 81.5 Ų | 81.5 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.1 | -179.2 | -59.2 | 80.6 | 0 | 0 | 0 | 111.2 | V251 | H244-V251 HydrophobicContact CB-CB 3.99Å; H244-V251 HydrophobicContact CB-CG2 4.09Å; H244-V251 PolarHBondContact N-O 2.93Å; H244-V251 VanDerWaalsContact N-O 3.17Å; H244-V251 PolarHBondContact O-N 3.48Å |
| 245 | V | 89.1 | Confident | 89.9 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 65% | 0.648 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.3 | 165.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | L242 L250 | L242-V245 HydrophobicContact CD1-CG2 4.31Å; L242-V245 HydrophobicContact CD2-CG2 3.86Å; L242-V245 HydrophobicContact CG-CG2 4.36Å; V245-L250 HydrophobicContact CB-CD2 4.5Å; V245-L250 HydrophobicContact CG1-CD2 4.15Å; V245-L250 HydrophobicContact CG2-CD2 4.09Å |
| 246 | I | 84.8 | Confident | 90.3 | Very high | 78 Ų | 78 | 79.3 Ų | 79.3 | 40% | 0.4 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.4 | 173.5 | -59.1 | 178.1 | 0 | 0 | 0 | 107.2 | D248 A249 V251 P274 | I246-D248 PolarHBondContact O-N 2.88Å; I246-A249 CarbonylContact C-O 3.51Å; I246-A249 WeakPolarHBondContact CA-O 3.1Å; I246-A249 HydrophobicContact CB-CB 4.42Å; I246-A249 PolarHBondContact N-O 3.06Å; I246-A249 PolarHBondContact O-N 3.34Å; I246-V251 HydrophobicContact CD1-CG2 3.6Å; I246-V251 HydrophobicContact CG1-CG2 4.23Å; I246-P274 HydrophobicContact CG2-CB 4.46Å |
| 247 | D | 82.4 | Confident | 90.2 | Very high | 141 Ų | 141 | 79.1 Ų | 79.1 | 75% | 0.754 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 118.3 | 172.6 | -57.9 | -42.5 | 0 | 0 | 0 | 110.1 | A249 | D247-A249 VanDerWaalsContact C-N 3.28Å; D247-A249 PolarHBondContact O-N 2.82Å |
| 248 | D | 81.1 | Confident | 89.8 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 17.6 | -176.4 | -56.7 | -35.2 | 0 | 0 | 0 | 117.1 | I246 K270 | I246-D248 PolarHBondContact O-N 2.88Å; D248-K270 HydrophobicContact CB-CD 4.13Å; D248-K270 WeakPolarHBondContact OD1-CD 3.5Å; D248-K270 WeakPolarHBondContact OD1-CE 3.15Å; D248-K270 IonicContact OD1-NZ 3.47Å; D248-K270 PolarHBondContact OD1-NZ 2.8Å |
| 249 | A | 88.9 | Confident | 89.7 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 5% | 0.05 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 144.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I246 D247 V264 P274 | I246-A249 CarbonylContact C-O 3.51Å; I246-A249 WeakPolarHBondContact CA-O 3.1Å; I246-A249 HydrophobicContact CB-CB 4.42Å; I246-A249 PolarHBondContact N-O 3.06Å; I246-A249 PolarHBondContact O-N 3.34Å; D247-A249 VanDerWaalsContact C-N 3.28Å; D247-A249 PolarHBondContact O-N 2.82Å; A249-V264 HydrophobicContact CB-CG1 3.75Å; A249-P274 HydrophobicContact CB-CG 3.71Å |
| 250 | L | 92.1 | Very high | 89.6 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.2 | 175.1 | -56.2 | 178.6 | 0 | 0 | 0 | 109.6 | L242 V245 V252 V264 L265 | L242-L250 HydrophobicContact CD1-CB 3.85Å; L242-L250 HydrophobicContact CD1-CD2 4.03Å; L242-L250 HydrophobicContact CD1-CG 4.37Å; V245-L250 HydrophobicContact CB-CD2 4.5Å; V245-L250 HydrophobicContact CG1-CD2 4.15Å; V245-L250 HydrophobicContact CG2-CD2 4.09Å; L250-V252 HydrophobicContact CB-CG1 4.26Å; L250-V264 CarbonylContact O-C 3.56Å; L250-V264 WeakPolarHBondContact O-CA 3.18Å; L250-L265 HydrophobicContact CB-CB 4.35Å; L250-L265 PolarHBondContact N-O 2.78Å; L250-L265 PolarHBondContact O-N 2.86Å |
| 251 | V | 92.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 14% | 0.139 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.9 | 169.6 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | E243 H244 I246 G263 V264 | E243-V251 HydrophobicContact CB-CG1 4.47Å; E243-V251 PolarHBondContact N-O 2.79Å; H244-V251 HydrophobicContact CB-CB 3.99Å; H244-V251 HydrophobicContact CB-CG2 4.09Å; H244-V251 PolarHBondContact N-O 2.93Å; H244-V251 VanDerWaalsContact N-O 3.17Å; H244-V251 PolarHBondContact O-N 3.48Å; I246-V251 HydrophobicContact CD1-CG2 3.6Å; I246-V251 HydrophobicContact CG1-CG2 4.23Å; V251-G263 WeakPolarHBondContact CA-O 3.35Å; V251-V264 HydrophobicContact CG2-CG2 4.41Å |
| 252 | V | 95.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.3 | -175.1 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | V240 S241 L242 L250 S262 G263 L265 | V240-V252 HydrophobicContact CB-CB 4.18Å; V240-V252 HydrophobicContact CB-CG2 4.39Å; V240-V252 HydrophobicContact CG2-CB 3.84Å; V240-V252 HydrophobicContact CG2-CG1 3.89Å; V240-V252 HydrophobicContact CG2-CG2 4.1Å; S241-V252 CarbonylContact O-C 3.54Å; S241-V252 WeakPolarHBondContact O-CA 3.35Å; S241-V252 WeakPolarHBondContact O-CB 3.18Å; L242-V252 HydrophobicContact CD1-CG1 4.17Å; L250-V252 HydrophobicContact CB-CG1 4.26Å; V252-S262 WeakPolarHBondContact O-CA 3.36Å; V252-G263 PolarHBondContact N-O 3.13Å; V252-G263 PolarHBondContact O-N 3.37Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CG 4.24Å; V252-L265 HydrophobicContact CG2-CD1 4.16Å; V252-L265 HydrophobicContact CG2-CD2 4.47Å; V252-L265 HydrophobicContact CG2-CG 3.85Å |
| 253 | S | 94.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.7 | 164.2 | 56.8 | 0 | 0 | 0 | 0 | 112 | S241 E243 F261 | S241-S253 WeakPolarHBondContact CB-O 3.32Å; S241-S253 PolarHBondContact N-O 2.7Å; S241-S253 PolarHBondContact O-N 2.81Å; E243-S253 VanDerWaalsContact CD-OG 3.23Å; E243-S253 WeakPolarHBondContact CG-OG 3.38Å; E243-S253 WeakPolarHBondContact OE1-CB 3.2Å; E243-S253 PolarHBondContact OE1-OG 3.44Å; S253-F261 CarbonylContact C-O 3.55Å; S253-F261 VanDerWaalsContact CA-O 3.27Å; S253-F261 WeakPolarHBondContact CA-O 3.27Å |
| 254 | F | 94.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 74 Ų | 74 | 10% | 0.096 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.9 | 171.7 | 175.3 | -128.6 | 0 | 0 | 0 | 108.9 | P226 L232 V238 R239 V240 L256 V260 F261 | P226-F254 HydrophobicContact CG-CZ 4.27Å; L232-F254 HydrophobicContact CD1-CE1 3.99Å; V238-F254 HydrophobicContact CG1-CD1 3.91Å; V238-F254 HydrophobicContact CG1-CD2 3.36Å; V238-F254 HydrophobicContact CG1-CE1 3.73Å; V238-F254 HydrophobicContact CG1-CE2 3.21Å; V238-F254 HydrophobicContact CG1-CG 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å; R239-F254 WeakPolarHBondContact O-CD2 3.26Å; V240-F254 HydrophobicContact CG1-CB 4.08Å; F254-L256 HydrophobicContact CD1-CB 4.49Å; F254-L256 HydrophobicContact CE1-CB 3.83Å; F254-L256 HydrophobicContact CE1-CD1 3.7Å; F254-L256 HydrophobicContact CE1-CD2 4.37Å; F254-L256 HydrophobicContact CE1-CG 4.2Å; F254-L256 HydrophobicContact CZ-CB 4Å; F254-L256 HydrophobicContact CZ-CD1 3.47Å; F254-L256 VanDerWaalsContact CZ-CD1 3.47Å; F254-L256 HydrophobicContact CZ-CG 4.3Å; F254-V260 CarbonylContact O-C 3.48Å; F254-V260 WeakPolarHBondContact O-CA 3.15Å; F254-F261 HydrophobicContact CB-CB 4.45Å; F254-F261 AromaticContact CD1-CD2 3.99Å; F254-F261 HydrophobicContact CD1-CD2 3.99Å; F254-F261 PolarHBondContact N-O 3.21Å; F254-F261 PolarHBondContact O-N 3.26Å |
| 255 | R | 90.1 | Very high | 89.5 | Confident | 161 Ų | 161 | 72.6 Ų | 72.6 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.2 | -179.1 | -61.9 | -167.1 | 62.3 | -157.9 | -8.3 | 109.1 | Q259 V260 | R255-Q259 WeakPolarHBondContact CA-O 3.4Å; R255-V260 HydrophobicContact CG-CG1 4.3Å; R255-V260 HydrophobicContact CG-CG2 4.16Å |
| 256 | L | 89.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 92.2 | -171.1 | -172.8 | 82.1 | 0 | 0 | 0 | 108.2 | P226 V229 L232 F254 E258 Q259 F261 | P226-L256 HydrophobicContact CB-CD1 3.8Å; P226-L256 HydrophobicContact CG-CD1 3.72Å; P226-L256 WeakPolarHBondContact O-CD1 3.41Å; V229-L256 HydrophobicContact CB-CD2 4.13Å; V229-L256 HydrophobicContact CG2-CD2 3.51Å; L232-L256 HydrophobicContact CD1-CD1 4.12Å; L232-L256 HydrophobicContact CD1-CD2 3.68Å; L232-L256 HydrophobicContact CD2-CD1 4.3Å; L232-L256 HydrophobicContact CG-CD1 4.32Å; L232-L256 HydrophobicContact CG-CD2 4.4Å; F254-L256 HydrophobicContact CD1-CB 4.49Å; F254-L256 HydrophobicContact CE1-CB 3.83Å; F254-L256 HydrophobicContact CE1-CD1 3.7Å; F254-L256 HydrophobicContact CE1-CD2 4.37Å; F254-L256 HydrophobicContact CE1-CG 4.2Å; F254-L256 HydrophobicContact CZ-CB 4Å; F254-L256 HydrophobicContact CZ-CD1 3.47Å; F254-L256 VanDerWaalsContact CZ-CD1 3.47Å; F254-L256 HydrophobicContact CZ-CG 4.3Å; L256-E258 PolarHBondContact O-N 2.98Å; L256-Q259 PolarHBondContact N-O 3.2Å; L256-Q259 PolarHBondContact O-N 3.13Å; L256-F261 HydrophobicContact CB-CE2 4.02Å; L256-F261 HydrophobicContact CD2-CE2 3.92Å |
| 257 | G | 84.3 | Confident | 89.5 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -118.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 258 | E | 81.8 | Confident | 89.4 | Confident | 193 Ų | 193 | 69 Ų | 69 | 90% | 0.902 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19.7 | 178 | -59.2 | -173.1 | 164.8 | 0 | 0 | 114 | L256 | L256-E258 PolarHBondContact O-N 2.98Š|
| 259 | Q | 87.1 | Confident | 89.3 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140 | -174.5 | -68.1 | -178.8 | 65.3 | 0 | 0 | 111.7 | R255 L256 F261 | R255-Q259 WeakPolarHBondContact CA-O 3.4Å; L256-Q259 PolarHBondContact N-O 3.2Å; L256-Q259 PolarHBondContact O-N 3.13Å; Q259-F261 HydrophobicContact CB-CE2 3.75Å; Q259-F261 HydrophobicContact CB-CZ 3.98Å |
| 260 | V | 89.7 | Confident | 88.7 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 114.4 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | F254 R255 | F254-V260 CarbonylContact O-C 3.48Å; F254-V260 WeakPolarHBondContact O-CA 3.15Å; R255-V260 HydrophobicContact CG-CG1 4.3Å; R255-V260 HydrophobicContact CG-CG2 4.16Å |
| 261 | F | 91.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.3 | 178.1 | -57.2 | -85.8 | 0 | 0 | 0 | 108.8 | V229 S253 F254 L256 Q259 | V229-F261 HydrophobicContact CG2-CZ 4.01Å; S253-F261 CarbonylContact C-O 3.55Å; S253-F261 VanDerWaalsContact CA-O 3.27Å; S253-F261 WeakPolarHBondContact CA-O 3.27Å; F254-F261 HydrophobicContact CB-CB 4.45Å; F254-F261 AromaticContact CD1-CD2 3.99Å; F254-F261 HydrophobicContact CD1-CD2 3.99Å; F254-F261 PolarHBondContact N-O 3.21Å; F254-F261 PolarHBondContact O-N 3.26Å; L256-F261 HydrophobicContact CB-CE2 4.02Å; L256-F261 HydrophobicContact CD2-CE2 3.92Å; Q259-F261 HydrophobicContact CB-CE2 3.75Å; Q259-F261 HydrophobicContact CB-CZ 3.98Å |
| 262 | S | 92.1 | Very high | 86.6 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.9 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | V252 | V252-S262 WeakPolarHBondContact O-CA 3.36Å |
| 263 | G | 93.1 | Very high | 85.4 | Confident | 32 Ų | 32 | 84.9 Ų | 84.9 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | V251 V252 | V251-G263 WeakPolarHBondContact CA-O 3.35Å; V252-G263 PolarHBondContact N-O 3.13Å; V252-G263 PolarHBondContact O-N 3.37Å |
| 264 | V | 92.3 | Very high | 84.2 | Confident | 86 Ų | 86 | 85.9 Ų | 85.9 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.1 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | A249 L250 V251 | A249-V264 HydrophobicContact CB-CG1 3.75Å; L250-V264 CarbonylContact O-C 3.56Å; L250-V264 WeakPolarHBondContact O-CA 3.18Å; V251-V264 HydrophobicContact CG2-CG2 4.41Å |
| 265 | L | 90.9 | Very high | 82.8 | Confident | 94 Ų | 94 | 94.6 Ų | 94.6 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135 | 170.1 | -55.7 | -179.8 | 0 | 0 | 0 | 109.3 | V240 L250 V252 | V240-L265 HydrophobicContact CG2-CD1 4.27Å; L250-L265 HydrophobicContact CB-CB 4.35Å; L250-L265 PolarHBondContact N-O 2.78Å; L250-L265 PolarHBondContact O-N 2.86Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CG 4.24Å; V252-L265 HydrophobicContact CG2-CD1 4.16Å; V252-L265 HydrophobicContact CG2-CD2 4.47Å; V252-L265 HydrophobicContact CG2-CG 3.85Å |
| 266 | M | 90.1 | Very high | 81.6 | Confident | 70 Ų | 70 | 89 Ų | 89 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.4 | 180 | -56.9 | 175.9 | 80.9 | 0 | 0 | 109 | V268 V279 | M266-V268 PolarHBondContact O-N 2.76Å; M266-V268 VanDerWaalsContact O-N 3.14Å; M266-V279 HydrophobicContact CB-CG2 4.43Å; M266-V279 HydrophobicContact CE-CG2 3.98Å |
| 267 | D | 85.2 | Confident | 80.7 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | trans | -70.3 | 107.8 | 176.1 | 178.5 | -6 | 0 | 0 | 0 | 110.4 | S269 K270 | D267-S269 PolarHBondContact O-N 3.48Å; D267-S269 VanDerWaalsContact OD1-CB 3.24Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 2.79Å; D267-S269 PolarHBondContact OD2-OG 3.14Å; D267-K270 HydrophobicContact CB-CD 4Å; D267-K270 HydrophobicContact CB-CG 4.19Å; D267-K270 WeakPolarHBondContact O-CB 3.44Å; D267-K270 PolarHBondContact O-N 2.95Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 WeakPolarHBondContact OD2-CE 3.37Å; D267-K270 IonicContact OD2-NZ 3.26Å | ||
| 268 | V | 80.5 | Confident | 79.8 | Confident | 114 Ų | 114 | 95 Ų | 95 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -11.3 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | M266 K270 V279 | M266-V268 PolarHBondContact O-N 2.76Å; M266-V268 VanDerWaalsContact O-N 3.14Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-V279 HydrophobicContact CG1-CG1 4.35Å |
| 269 | S | 78.6 | Confident | 79.1 | Confident | 99 Ų | 99 | 87.1 Ų | 87.1 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.9 | 169.3 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | D267 | D267-S269 PolarHBondContact O-N 3.48Å; D267-S269 VanDerWaalsContact OD1-CB 3.24Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 2.79Å; D267-S269 PolarHBondContact OD2-OG 3.14Å |
| 270 | K | 76.7 | Confident | 78 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 35% | 0.348 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -89.2 | 126.4 | 179.7 | -62 | 178.3 | -175.8 | 164.6 | 0 | 109.9 | D248 D267 V268 F272 V279 | D248-K270 HydrophobicContact CB-CD 4.13Å; D248-K270 WeakPolarHBondContact OD1-CD 3.5Å; D248-K270 WeakPolarHBondContact OD1-CE 3.15Å; D248-K270 IonicContact OD1-NZ 3.47Å; D248-K270 PolarHBondContact OD1-NZ 2.8Å; D267-K270 HydrophobicContact CB-CD 4Å; D267-K270 HydrophobicContact CB-CG 4.19Å; D267-K270 WeakPolarHBondContact O-CB 3.44Å; D267-K270 PolarHBondContact O-N 2.95Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 WeakPolarHBondContact OD2-CE 3.37Å; D267-K270 IonicContact OD2-NZ 3.26Å; V268-K270 VanDerWaalsContact C-N 3.28Å; K270-F272 PolarHBondContact O-N 2.82Å; K270-V279 VanDerWaalsContact O-CG2 3.25Å; K270-V279 WeakPolarHBondContact O-CG2 3.4Å |
| 271 | R | 69.3 | Low | 76.5 | Confident | 214 Ų | 214 | 89.1 Ų | 89.1 | 81% | 0.808 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -68.3 | -18.1 | -179.2 | -68.9 | -179.1 | 176.1 | -88.6 | 1 | 113.6 | P278 V279 | R271-P278 WeakPolarHBondContact O-CA 3.23Å; R271-V279 PolarHBondContact O-N 2.62Å |
| 272 | F | 70.9 | Confident | 74.4 | Confident | 123 Ų | 123 | 93.1 Ų | 93.1 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 137.8 | 179.9 | -51.8 | -81.3 | 0 | 0 | 0 | 108.1 | K270 I277 P278 | K270-F272 PolarHBondContact O-N 2.82Å; F272-I277 WeakPolarHBondContact CA-O 3.21Å; F272-P278 HydrophobicContact CD1-CB 4.43Å |
| 273 | G | 70.1 | Confident | 72.1 | Confident | 5 Ų | 5 | 94.6 Ų | 94.6 | 5% | 0.052 | 52% | 0.515 | C | S | . | . | trans | -93.3 | -164.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G276 I277 | G273-G276 PolarHBondContact O-N 3.01Å; G273-G276 VanDerWaalsContact O-N 3.07Å; G273-I277 PolarHBondContact N-O 2.86Å | ||
| 274 | P | 69.8 | Low | 69.6 | Low | 29 Ų | 29 | 104.3 Ų | 104.3 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | G | 310 helix | trans | -51.4 | 141.7 | -178.5 | 19.7 | -34.1 | 0 | 0 | 0 | 112.6 | I246 A249 G276 | I246-P274 HydrophobicContact CG2-CB 4.46Å; A249-P274 HydrophobicContact CB-CG 3.71Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-G276 VanDerWaalsContact O-N 3.16Å |
| 275 | F | 65.1 | Low | 67.3 | Low | 206 Ų | 206 | 110.4 Ų | 110.4 | 90% | 0.904 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | 59.5 | 16.3 | -176.8 | -46.6 | -73.6 | 0 | 0 | 0 | 115.6 | ||
| 276 | G | 66.1 | Low | 64.7 | Low | 44 Ų | 44 | 112.1 Ų | 112.1 | 45% | 0.454 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | 82.2 | 15.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G273 P274 | G273-G276 PolarHBondContact O-N 3.01Å; G273-G276 VanDerWaalsContact O-N 3.07Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-G276 VanDerWaalsContact O-N 3.16Å |
| 277 | I | 69.1 | Low | 62.4 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | trans | -69.1 | 122.6 | 174.3 | -58.4 | 175.6 | 0 | 0 | 0 | 108 | F272 G273 | F272-I277 WeakPolarHBondContact CA-O 3.21Å; G273-I277 PolarHBondContact N-O 2.86Å | ||
| 278 | P | 66.2 | Low | 60.4 | Low | 79 Ų | 79 | 123.1 Ų | 123.1 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | B | Isolated β-bridge | trans | -67.9 | 135.3 | -179.2 | 28.2 | -34.3 | 0 | 0 | 0 | 110.6 | R271 F272 T280 | R271-P278 WeakPolarHBondContact O-CA 3.23Å; F272-P278 HydrophobicContact CD1-CB 4.43Å; P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.12Å |
| 279 | V | 67 | Low | 57.8 | Low | 27 Ų | 27 | 123.9 Ų | 123.9 | 16% | 0.164 | 62% | 0.618 | C | S | . | * | trans | -67.6 | 112.5 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | M266 V268 K270 R271 V281 | M266-V279 HydrophobicContact CB-CG2 4.43Å; M266-V279 HydrophobicContact CE-CG2 3.98Å; V268-V279 HydrophobicContact CG1-CG1 4.35Å; K270-V279 VanDerWaalsContact O-CG2 3.25Å; K270-V279 WeakPolarHBondContact O-CG2 3.4Å; R271-V279 PolarHBondContact O-N 2.62Å; V279-V281 PolarHBondContact O-N 3.29Å | ||
| 280 | T | 63.6 | Low | 55.5 | Low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | trans | -76.4 | 87.2 | 178 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | P278 F282 | P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.12Å; T280-F282 PolarHBondContact O-N 2.92Å | ||
| 281 | V | 58.8 | Low | 53.5 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | trans | -61.9 | 106.3 | 173.1 | -162.6 | 0 | 0 | 0 | 0 | 108.5 | V279 | V279-V281 PolarHBondContact O-N 3.29Š| ||
| 282 | F | 47.7 | Very low | 51.6 | Low | 174 Ų | 174 | 126 Ų | 126 | 76% | 0.763 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.6 | 174.9 | -75.2 | -85.7 | 0 | 0 | 0 | 110 | T280 R284 | T280-F282 PolarHBondContact O-N 2.92Å; F282-R284 PolarHBondContact O-N 2.92Å |
| 283 | P | 43.6 | Very low | 49.7 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134 | 173.4 | -24.2 | 34.1 | 0 | 0 | 0 | 110.5 | R285 | P283-R285 PolarHBondContact O-N 2.77Å; P283-R285 VanDerWaalsContact O-N 3.16Å |
| 284 | R | 40.8 | Very low | 48 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122.7 | 174.8 | -74.6 | -176.9 | 171.5 | -175.9 | -4.3 | 108.8 | F282 D286 | F282-R284 PolarHBondContact O-N 2.92Å; R284-D286 PolarHBondContact O-N 2.88Å |
| 285 | R | 42.6 | Very low | 46.4 | Very low | 214 Ų | 214 | 135.8 Ų | 135.8 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -72.6 | 105.7 | 164.1 | -70 | 179.1 | 177.5 | 153.9 | -1.6 | 106.8 | P283 N287 | P283-R285 PolarHBondContact O-N 2.77Å; P283-R285 VanDerWaalsContact O-N 3.16Å; R285-N287 PolarHBondContact O-N 2.93Å | ||
| 286 | D | 37.6 | Very low | 44.8 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | trans | -65.8 | 102.1 | 171.7 | -92.8 | -69 | 0 | 0 | 0 | 109 | R284 R288 | R284-D286 PolarHBondContact O-N 2.88Å; D286-R288 HydrophobicContact CB-CG 4.49Å; D286-R288 PolarHBondContact O-N 3Å | ||
| 287 | N | 42.1 | Very low | 43.1 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | -72.1 | 65.7 | 176.3 | -74 | -8.8 | 0 | 0 | 0 | 111 | R285 | R285-N287 PolarHBondContact O-N 2.93Š| ||
| 288 | R | 41.3 | Very low | 41.3 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -103 | 12.1 | 177.1 | -69.3 | -170.3 | -176 | -110.3 | 3.4 | 114.1 | D286 R290 | D286-R288 HydrophobicContact CB-CG 4.49Å; D286-R288 PolarHBondContact O-N 3Å; R288-R290 PolarHBondContact O-N 3.18Å | ||
| 289 | C | 27.8 | Very low | 39.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -78.4 | 77.5 | 160 | -74.1 | 0 | 0 | 0 | 0 | 109.8 | P291 | C289-P291 WeakPolarHBondContact O-CD 3.49Š| ||
| 290 | R | 30.4 | Very low | 37.8 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -67.3 | 117.5 | 167.5 | 175.5 | -177.5 | -178.6 | 175.6 | 1.8 | 108.4 | R288 A292 | R288-R290 PolarHBondContact O-N 3.18Å; R290-A292 PolarHBondContact O-N 2.85Å | ||
| 291 | P | 33.8 | Very low | 36.2 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 127.9 | 169.6 | 27.4 | -32.6 | 0 | 0 | 0 | 108.9 | C289 A293 | C289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-A293 PolarHBondContact O-N 2.83Å | ||
| 292 | A | 28.8 | Very low | 34.7 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 96.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | R290 S294 | R290-A292 PolarHBondContact O-N 2.85Å; A292-S294 PolarHBondContact O-N 3.19Å | ||
| 293 | A | 32.4 | Very low | 33.7 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 106.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P291 | P291-A293 PolarHBondContact O-N 2.83Š| ||
| 294 | S | 33.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -78.4 | 119.2 | 170.9 | -172 | 0 | 0 | 0 | 0 | 109.2 | A292 | A292-S294 PolarHBondContact O-N 3.19Š| ||
| 295 | L | 36.4 | Very low | 33.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 120 | 166.6 | -70.1 | 170.8 | 0 | 0 | 0 | 108.2 | ||||
| 296 | Q | 32 | Very low | 32.4 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | 174.5 | 133.8 | 114.4 | -92.6 | 154.1 | 111.6 | 0 | 0 | 113.5 | |||||
| 297 | T | 30 | Very low | 31.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | 46 | 127.3 | 129 | -39.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 298 | A | 31.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -89.6 | 147.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 299 | A | 30.1 | Very low | 30.8 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -156.6 | 142.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 300 | T | 28.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -20.6 | 140.8 | 162.1 | 50.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 301 | S | 29.9 | Very low | 30.8 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | -175.3 | 165.7 | 58.4 | -140.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 302 | D | 27.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 42.5 | 142.9 | 156.2 | -62.2 | -78.8 | 0 | 0 | 0 | 123.4 | ||||
| 303 | G | 26.5 | Very low | 30.8 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -106.5 | -142.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 304 | P | 45.6 | Very low | 31 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | -127.5 | -141 | -10.3 | 41.4 | -24.1 | 0 | 0 | 0 | 111.2 | ||||
| 305 | H | 25.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | trans | 75.1 | 150.4 | 176.6 | -65.9 | -73.9 | 0 | 0 | 0 | 117.3 | ||||
| 306 | T | 29.4 | Very low | 31.7 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -166.4 | 162.1 | -24.6 | -98 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 307 | E | 26.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -31.5 | 167 | 156.5 | -71 | 171.7 | 111 | 0 | 0 | 116.9 | ||||
| 308 | L | 30.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | cis | -160.4 | -173.6 | 4.3 | -123.7 | 168.3 | 0 | 0 | 0 | 109 | ||||
| 309 | D | 29.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 66 | 158 | 155 | -85.3 | -147.5 | 0 | 0 | 0 | 119.8 | ||||
| 310 | E | 31.2 | Very low | 32.7 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -173.9 | 165.3 | -25 | 168.4 | 61.5 | 141.4 | 0 | 0 | 107.4 | ||||
| 311 | A | 28.1 | Very low | 33.2 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | 81.6 | 136.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 312 | A | 27 | Very low | 33.8 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 75.7 | 114.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 313 | A | 35.3 | Very low | 34.7 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -80.8 | 175.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 314 | P | 35.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | -139.4 | 149 | 90.8 | 37.3 | -25.1 | 0 | 0 | 0 | 115.5 | |||||
| 315 | Q | 41 | Very low | 35.9 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -91.9 | 156.1 | 157.7 | -70.8 | -72.5 | -45.2 | 0 | 0 | 109.1 | ||||
| 316 | P | 43.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -145.7 | 121 | 115.2 | 32.9 | -16.2 | 0 | 0 | 0 | 116.1 | |||||
| 317 | C | 30.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 134 Ų | 134 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 55.3 | 117.7 | 132.6 | -156.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 318 | G | 30.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | -158.7 | 134.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K320 | G318-K320 PolarHBondContact O-N 2.8Š| ||
| 319 | P | 42.4 | Very low | 40.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 128.7 | -165.4 | 28.6 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 320 | K | 42.3 | Very low | 41.4 | Very low | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.6 | 164.4 | -168.1 | -176.8 | -178.9 | 77 | 0 | 108.6 | G318 | G318-K320 PolarHBondContact O-N 2.8Š|
| 321 | P | 37.9 | Very low | 41.9 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.3 | 175 | 27.5 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 322 | P | 43.9 | Very low | 42.8 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64 | 148.7 | 179.4 | 27.9 | -35.2 | 0 | 0 | 0 | 110.9 | L324 | P322-L324 PolarHBondContact O-N 2.98Š|
| 323 | P | 45.3 | Very low | 44 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -66.9 | 104 | 176.9 | 27.9 | -33.6 | 0 | 0 | 0 | 110.3 | ||||
| 324 | L | 50 | Low | 44.9 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -64.9 | 138.3 | 152.2 | -74.1 | 170.8 | 0 | 0 | 0 | 107.7 | P322 | P322-L324 PolarHBondContact O-N 2.98Š|
| 325 | F | 48.9 | Very low | 45.6 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 69.5 | 101.8 | -170.7 | -43.2 | -70.8 | 0 | 0 | 0 | 113 | ||
| 326 | Q | 51.4 | Low | 46.3 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -73.4 | 129.3 | 164.8 | -76 | 165.8 | -53.3 | 0 | 0 | 109.1 | G328 A329 | Q326-G328 PolarHBondContact O-N 3.01Å; Q326-A329 PolarHBondContact O-N 2.84Å | ||
| 327 | E | 49.8 | Very low | 46.8 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 97% | 0.972 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 124.3 | 179.5 | -165.8 | 135.4 | -147.8 | 0 | 0 | 110.1 | ||
| 328 | G | 54.6 | Low | 48 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.2 | -12 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q326 | Q326-G328 PolarHBondContact O-N 3.01Š|
| 329 | A | 50 | Low | 49.1 | Very low | 71 Ų | 71 | 132.9 Ų | 132.9 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -75.7 | 137.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q326 Y331 | Q326-A329 PolarHBondContact O-N 2.84Å; A329-Y331 PolarHBondContact O-N 3.23Å |
| 330 | P | 49 | Very low | 49.6 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.2 | 175.8 | -25.9 | 34.8 | 0 | 0 | 0 | 112.5 | ||
| 331 | Y | 43.2 | Very low | 50 | Low | 207 Ų | 207 | 129.5 Ų | 129.5 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.1 | -176.9 | -167 | -87.7 | 0 | 0 | 0 | 110.8 | A329 | A329-Y331 PolarHBondContact O-N 3.23Š|
| 332 | P | 46.6 | Very low | 50.6 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 40% | 0.396 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -66 | 142.5 | -175.2 | 25.8 | -33.7 | 0 | 0 | 0 | 111 | ||
| 333 | P | 52.8 | Low | 51.4 | Low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 144.5 | 174.3 | -25.7 | 34.2 | 0 | 0 | 0 | 111.1 | L335 | P333-L335 PolarHBondContact O-N 2.69Š|
| 334 | P | 53.2 | Low | 52.1 | Low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -62.8 | 91.6 | -165.4 | 23.8 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 335 | L | 51.2 | Low | 52.8 | Low | 113 Ų | 113 | 130.2 Ų | 130.2 | 59% | 0.592 | 68% | 0.679 | S | S | * | * | trans | -64.9 | 139.8 | 164 | -61.7 | -178.6 | 0 | 0 | 0 | 107.7 | P333 I337 | P333-L335 PolarHBondContact O-N 2.69Å; L335-I337 PolarHBondContact O-N 2.74Å | ||
| 336 | F | 55.9 | Low | 53 | Low | 150 Ų | 150 | 126.6 Ų | 126.6 | 66% | 0.658 | 67% | 0.673 | S | S | * | * | trans | -70.3 | 76.3 | -178.7 | -64 | -89.1 | 0 | 0 | 0 | 111.4 | R338 Q347 | F336-R338 PolarHBondContact O-N 3.01Å; F336-Q347 HydrophobicContact CB-CB 4.41Å; F336-Q347 VanDerWaalsContact CB-NE2 3.3Å | ||
| 337 | I | 54.3 | Low | 53.2 | Low | 102 Ų | 102 | 123.3 Ų | 123.3 | 52% | 0.523 | 66% | 0.657 | S | S | . | * | trans | -54.4 | 129.4 | 165.9 | -60 | 173.2 | 0 | 0 | 0 | 107 | L335 A344 | L335-I337 PolarHBondContact O-N 2.74Å; I337-A344 HydrophobicContact CG2-CB 3.76Å | ||
| 338 | R | 55 | Low | 53.7 | Low | 176 Ų | 176 | 117.8 Ų | 117.8 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | trans | -128.7 | 91.3 | -175.5 | -176 | -157.9 | 149.3 | 105.4 | 4.4 | 109.2 | F336 T340 | F336-R338 PolarHBondContact O-N 3.01Å; R338-T340 VanDerWaalsContact C-N 3.33Å; R338-T340 WeakPolarHBondContact CD-OG1 3.14Å; R338-T340 PolarHBondContact NE-OG1 3.37Å; R338-T340 PolarHBondContact O-N 3.17Å; R338-T340 PolarHBondContact O-OG1 3.19Å | ||
| 339 | D | 53.7 | Low | 54.1 | Low | 125 Ų | 125 | 119 Ų | 119 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | trans | -58 | 93.7 | 178.7 | -60.2 | -37 | 0 | 0 | 0 | 111.2 | ||||
| 340 | T | 53.1 | Low | 54.7 | Low | 49 Ų | 49 | 121.6 Ų | 121.6 | 30% | 0.301 | 64% | 0.643 | S | S | . | * | B | Isolated β-bridge | trans | -125 | 118 | 177.7 | -38.1 | 0 | 0 | 0 | 0 | 105 | R338 Q342 | R338-T340 VanDerWaalsContact C-N 3.33Å; R338-T340 WeakPolarHBondContact CD-OG1 3.14Å; R338-T340 PolarHBondContact NE-OG1 3.37Å; R338-T340 PolarHBondContact O-N 3.17Å; R338-T340 PolarHBondContact O-OG1 3.19Å; T340-Q342 VanDerWaalsContact C-N 3.33Å; T340-Q342 PolarHBondContact O-N 3.29Å |
| 341 | Y | 49.7 | Very low | 55.8 | Low | 205 Ų | 205 | 126 Ų | 126 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.6 | 37 | -171.9 | -49.5 | -80 | 0 | 0 | 0 | 114.4 | Q343 | Y341-Q343 PolarHBondContact O-N 3.37Å; Y341-Q343 VanDerWaalsContact O-N 3.09Å |
| 342 | Q | 52 | Low | 56.5 | Low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.1 | 23 | 172.5 | -64.3 | 146.1 | -16.3 | 0 | 0 | 114.6 | T340 | T340-Q342 VanDerWaalsContact C-N 3.33Å; T340-Q342 PolarHBondContact O-N 3.29Å |
| 343 | Q | 59.3 | Low | 57.5 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 58% | 0.575 | 66% | 0.66 | S | S | * | * | B | Isolated β-bridge | trans | -120.4 | 122.4 | 175.7 | -68.3 | -180 | -4.6 | 0 | 0 | 110.2 | Y341 L345 | Y341-Q343 PolarHBondContact O-N 3.37Å; Y341-Q343 VanDerWaalsContact O-N 3.09Å; Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 2.83Å |
| 344 | A | 61.1 | Low | 58 | Low | 67 Ų | 67 | 133.9 Ų | 133.9 | 55% | 0.554 | 67% | 0.67 | S | S | * | * | trans | -77.1 | 69.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I337 | I337-A344 HydrophobicContact CG2-CB 3.76Š| ||
| 345 | L | 63.2 | Low | 58.5 | Low | 109 Ų | 109 | 137.4 Ų | 137.4 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 130.1 | 179.8 | -63.4 | 177.3 | 0 | 0 | 0 | 111.1 | Q343 | Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 2.83Å |
| 346 | P | 53.5 | Low | 58.7 | Low | 97 Ų | 97 | 137.8 Ų | 137.8 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68 | 140.1 | 179.8 | 27.7 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 347 | Q | 55.1 | Low | 58.6 | Low | 97 Ų | 97 | 140.5 Ų | 140.5 | 45% | 0.453 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 128.2 | -178.9 | -169.1 | 175.4 | 88.5 | 0 | 0 | 110.9 | F336 | F336-Q347 HydrophobicContact CB-CB 4.41Å; F336-Q347 VanDerWaalsContact CB-NE2 3.3Å |
| 348 | P | 60.4 | Low | 58.9 | Low | 93 Ų | 93 | 146.9 Ų | 146.9 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137 | 179.1 | 25 | -34.1 | 0 | 0 | 0 | 110.9 | ||
| 349 | P | 63.6 | Low | 58.7 | Low | 107 Ų | 107 | 149.6 Ų | 149.6 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 144.7 | -174.8 | -30.1 | 35.5 | 0 | 0 | 0 | 114.1 | R351 | P349-R351 PolarHBondContact O-N 3.05Š|
| 350 | P | 62.1 | Low | 58.3 | Low | 125 Ų | 125 | 153.2 Ų | 153.2 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -64.1 | 98.6 | -174.1 | 25 | -34.4 | 0 | 0 | 0 | 111.7 | K352 | P350-K352 PolarHBondContact O-N 3.49Š| ||
| 351 | R | 73.1 | Confident | 57.8 | Low | 219 Ų | 219 | 162 Ų | 162 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -59 | 123.3 | 179.5 | -64.7 | -179.7 | -178.4 | 161.2 | 0.6 | 109.9 | P349 I353 | P349-R351 PolarHBondContact O-N 3.05Å; R351-I353 PolarHBondContact O-N 2.89Å | ||
| 352 | K | 57.4 | Low | 57.7 | Low | 206 Ų | 206 | 157.1 Ų | 157.1 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | trans | -62.1 | 93.5 | 178.6 | -66.1 | 177.9 | -178.3 | 174.7 | 0 | 110.3 | P350 K354 | P350-K352 PolarHBondContact O-N 3.49Å; K352-K354 PolarHBondContact O-N 3.08Å | ||
| 353 | I | 68.6 | Low | 57.8 | Low | 129 Ų | 129 | 155 Ų | 155 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -63.7 | 106.1 | 176.8 | -50.2 | 178.9 | 0 | 0 | 0 | 108.1 | R351 R355 | R351-I353 PolarHBondContact O-N 2.89Å; I353-R355 HydrophobicContact CB-CG 4.39Å; I353-R355 HydrophobicContact CG2-CG 3.73Å; I353-R355 PolarHBondContact O-N 3.42Å | ||
| 354 | K | 61.7 | Low | 57.8 | Low | 206 Ų | 206 | 156.8 Ų | 156.8 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -68.1 | 68.5 | 171.9 | -73.8 | -174.5 | 176.5 | 178.9 | 0 | 110.6 | K352 | K352-K354 PolarHBondContact O-N 3.08Š| ||
| 355 | R | 65.2 | Low | 57.3 | Low | 195 Ų | 195 | 159.1 Ų | 159.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -66.6 | 126.8 | 168.1 | -66.4 | -175.4 | 173.9 | 165.9 | -0.6 | 107.9 | I353 K357 | I353-R355 HydrophobicContact CB-CG 4.39Å; I353-R355 HydrophobicContact CG2-CG 3.73Å; I353-R355 PolarHBondContact O-N 3.42Å; R355-K357 PolarHBondContact O-N 3.17Å | ||
| 356 | P | 54.1 | Low | 56.7 | Low | 120 Ų | 120 | 158.8 Ų | 158.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -52 | 138.7 | 168.4 | -26.2 | 35.2 | 0 | 0 | 0 | 109.8 | R358 | P356-R358 PolarHBondContact O-N 3.42Š| ||
| 357 | K | 53.7 | Low | 57 | Low | 207 Ų | 207 | 157.8 Ų | 157.8 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | trans | -69.8 | 75.1 | -172.3 | -168.7 | 172.8 | -177.8 | 174.9 | 0 | 111.1 | R355 R359 | R355-K357 PolarHBondContact O-N 3.17Å; K357-R359 PolarHBondContact O-N 3.17Å; K357-R359 VanDerWaalsContact O-N 3.07Å | ||
| 358 | R | 61 | Low | 57.2 | Low | 236 Ų | 236 | 158.5 Ų | 158.5 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -54.4 | 114.8 | 175.3 | -173.2 | 177.5 | -175.8 | -176.3 | 0.7 | 107.3 | P356 Y360 | P356-R358 PolarHBondContact O-N 3.42Å; R358-Y360 PolarHBondContact O-N 3.24Å | ||
| 359 | R | 51.7 | Low | 57 | Low | 233 Ų | 233 | 162.1 Ų | 162.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -55.6 | 127.1 | -176 | -63.5 | -173.9 | -176.6 | -154.6 | 1.9 | 108.8 | K357 R361 | K357-R359 PolarHBondContact O-N 3.17Å; K357-R359 VanDerWaalsContact O-N 3.07Å; R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.89Å | ||
| 360 | Y | 45 | Very low | 56.7 | Low | 201 Ų | 201 | 163 Ų | 163 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 95.4 | 169.4 | -124.6 | -91.1 | 0 | 0 | 0 | 107.1 | R358 | R358-Y360 PolarHBondContact O-N 3.24Š| ||
| 361 | R | 42.9 | Very low | 56.5 | Low | 234 Ų | 234 | 160.7 Ų | 160.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -64.5 | 139.8 | 150.4 | -99.5 | -166.2 | 177.1 | -117.9 | 4.5 | 105.6 | R359 E363 | R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.89Å; R361-E363 PolarHBondContact O-N 2.9Å | ||
| 362 | S | 46.7 | Very low | 56.1 | Low | 103 Ų | 103 | 156 Ų | 156 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -47.1 | 139.4 | 177.2 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | E364 | S362-E364 PolarHBondContact O-N 2.91Š| ||
| 363 | E | 55.1 | Low | 56.4 | Low | 149 Ų | 149 | 155.2 Ų | 155.2 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -69 | 81.2 | 152.9 | -71.6 | -169.9 | 124.8 | 0 | 0 | 107.4 | R361 | R361-E363 PolarHBondContact O-N 2.9Š| ||
| 364 | E | 59.4 | Low | 56.2 | Low | 160 Ų | 160 | 155.1 Ų | 155.1 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -58.1 | 124.2 | 144 | -172.6 | 176.8 | 163.3 | 0 | 0 | 106.2 | S362 T366 | S362-E364 PolarHBondContact O-N 2.91Å; E364-T366 PolarHBondContact O-N 3.32Å | ||
| 365 | P | 49.1 | Very low | 56.2 | Low | 116 Ų | 116 | 155.9 Ų | 155.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -51.8 | 119.9 | -173.2 | -29.8 | 35.8 | 0 | 0 | 0 | 110.7 | S367 | P365-S367 PolarHBondContact O-N 2.85Š| ||
| 366 | T | 51.8 | Low | 56.5 | Low | 102 Ų | 102 | 152.8 Ų | 152.8 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | -69 | 98.5 | -165.8 | 31.9 | 0 | 0 | 0 | 0 | 110.7 | E364 I368 | E364-T366 PolarHBondContact O-N 3.32Å; T366-I368 PolarHBondContact O-N 2.92Å | ||
| 367 | S | 60 | Low | 57.1 | Low | 75 Ų | 75 | 157.2 Ų | 157.2 | 52% | 0.524 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | 29.6 | 174.9 | -158.6 | 0 | 0 | 0 | 0 | 113.3 | P365 N370 A371 | P365-S367 PolarHBondContact O-N 2.85Å; S367-N370 PolarHBondContact O-N 3.16Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.13Å; S367-A371 VanDerWaalsContact O-N 3.11Å |
| 368 | I | 58.3 | Low | 58 | Low | 112 Ų | 112 | 151.7 Ų | 151.7 | 57% | 0.574 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -72.4 | -29.5 | 177.3 | 64.9 | 174.2 | 0 | 0 | 0 | 111.6 | T366 N370 I372 | T366-I368 PolarHBondContact O-N 2.92Å; I368-N370 VanDerWaalsContact C-N 3.33Å; I368-I372 WeakPolarHBondContact O-CG1 3.03Å |
| 369 | M | 57.4 | Low | 58.5 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -69.1 | -31.8 | 173.1 | -65.9 | -174.5 | 70.9 | 0 | 0 | 112.1 | ||
| 370 | N | 57.2 | Low | 59.5 | Low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -90.1 | -15.5 | -178.7 | -64.8 | -18.8 | 0 | 0 | 0 | 113.5 | S367 I368 | S367-N370 PolarHBondContact O-N 3.16Å; I368-N370 VanDerWaalsContact C-N 3.33Å |
| 371 | A | 57.8 | Low | 61 | Low | 75 Ų | 75 | 133.1 Ų | 133.1 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.9 | -26.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S367 K373 | S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.13Å; S367-A371 VanDerWaalsContact O-N 3.11Å; A371-K373 PolarHBondContact O-N 3.3Å |
| 372 | I | 64.2 | Low | 62.6 | Low | 122 Ų | 122 | 128 Ų | 128 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -82 | 69.9 | -178.7 | -52.5 | 171.2 | 0 | 0 | 0 | 110 | I368 L374 | I368-I372 WeakPolarHBondContact O-CG1 3.03Å; I372-L374 VanDerWaalsContact C-N 3.25Å; I372-L374 HydrophobicContact CG2-CD2 3.83Å; I372-L374 HydrophobicContact CG2-CG 4.14Å; I372-L374 PolarHBondContact O-N 3.31Å | ||
| 373 | K | 62.9 | Low | 63.6 | Low | 189 Ų | 189 | 132.2 Ų | 132.2 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -66.6 | 88.9 | 160.9 | -72.4 | -173.6 | 177.7 | -178.2 | 0 | 108.7 | A371 R375 | A371-K373 PolarHBondContact O-N 3.3Å; K373-R375 PolarHBondContact O-N 3.27Å | ||
| 374 | L | 64.3 | Low | 64.4 | Low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | trans | -55.5 | 113.6 | 168.3 | -67.5 | 178.2 | 0 | 0 | 0 | 108.1 | I372 | I372-L374 VanDerWaalsContact C-N 3.25Å; I372-L374 HydrophobicContact CG2-CD2 3.83Å; I372-L374 HydrophobicContact CG2-CG 4.14Å; I372-L374 PolarHBondContact O-N 3.31Å | ||
| 375 | R | 63.3 | Low | 65.1 | Low | 223 Ų | 223 | 125 Ų | 125 | 84% | 0.842 | 65% | 0.649 | S | S | * | * | trans | -56 | 137.8 | 168.6 | -61.7 | -177 | -173.2 | 175.9 | 1.9 | 107.7 | K373 R377 | K373-R375 PolarHBondContact O-N 3.27Å; R375-R377 PolarHBondContact O-N 3.4Å | ||
| 376 | P | 70.4 | Confident | 65.9 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 63% | 0.634 | S | S | * | * | trans | -50.1 | 113.3 | 177.4 | -28.9 | 35.8 | 0 | 0 | 0 | 110.6 | Q378 | P376-Q378 PolarHBondContact O-N 2.93Š| ||
| 377 | R | 67 | Low | 66.6 | Low | 213 Ų | 213 | 122 Ų | 122 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -76 | 100.1 | 179.7 | -73 | -177 | 178.5 | -94.4 | 2.3 | 107.4 | R375 V379 | R375-R377 PolarHBondContact O-N 3.4Å; R377-V379 PolarHBondContact O-N 2.93Å | ||
| 378 | Q | 72.7 | Confident | 66.7 | Low | 90 Ų | 90 | 123.3 Ų | 123.3 | 42% | 0.421 | 64% | 0.641 | S | S | . | * | trans | -62 | 112.6 | 175.5 | -153.5 | 173.8 | -107.5 | 0 | 0 | 108.5 | P376 L380 D382 K385 | P376-Q378 PolarHBondContact O-N 2.93Å; Q378-L380 VanDerWaalsContact CG-O 3.28Å; Q378-L380 WeakPolarHBondContact CG-O 3.08Å; Q378-L380 PolarHBondContact NE2-O 3.45Å; Q378-L380 PolarHBondContact O-N 2.86Å; Q378-D382 PolarHBondContact NE2-OD1 3.23Å; Q378-K385 HydrophobicContact CG-CD 4.33Å | ||
| 379 | V | 72.2 | Confident | 66.8 | Low | 145 Ų | 145 | 121.9 Ų | 121.9 | 88% | 0.879 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -61.6 | -27 | -173 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | R377 | R377-V379 PolarHBondContact O-N 2.93Š|
| 380 | L | 71.1 | Confident | 66.9 | Low | 72 Ų | 72 | 118.7 Ų | 118.7 | 38% | 0.377 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -112 | 136.8 | 170.8 | -63.6 | 176.7 | 0 | 0 | 0 | 109.9 | Q378 C384 K385 V388 | Q378-L380 VanDerWaalsContact CG-O 3.28Å; Q378-L380 WeakPolarHBondContact CG-O 3.08Å; Q378-L380 PolarHBondContact NE2-O 3.45Å; Q378-L380 PolarHBondContact O-N 2.86Å; L380-C384 HydrophobicContact CB-CB 3.93Å; L380-C384 HydrophobicContact CD2-CB 4.34Å; L380-K385 HydrophobicContact CB-CB 4.35Å; L380-V388 HydrophobicContact CD1-CB 4.04Å; L380-V388 HydrophobicContact CD1-CG1 4.48Å; L380-V388 HydrophobicContact CD1-CG2 3.65Å |
| 381 | C | 78.1 | Confident | 66.8 | Low | 64 Ų | 64 | 116.1 Ų | 116.1 | 43% | 0.432 | 64% | 0.644 | S | S | . | * | trans | -59.7 | 158.2 | 171.1 | 82.8 | 0 | 0 | 0 | 0 | 111.1 | K383 C384 K385 | C381-K383 PolarHBondContact O-N 2.98Å; C381-C384 HydrophobicContact CB-CB 4.07Å; C381-C384 WeakPolarHBondContact CB-SG 3.41Å; C381-C384 CarbonylContact O-C 3.53Å; C381-C384 WeakPolarHBondContact O-CA 3.5Å; C381-C384 WeakPolarHBondContact O-CB 3.42Å; C381-C384 PolarHBondContact O-N 3Å; C381-C384 WeakPolarHBondContact SG-CB 3.38Å; C381-C384 PolarHBondContact SG-N 2.8Å; C381-C384 CovalentContact SG-SG 2.06Å; C381-C384 PolarHBondContact SG-SG 2.88Å; C381-K385 WeakPolarHBondContact O-CB 3.38Å; C381-K385 PolarHBondContact O-N 2.79Å | ||
| 382 | D | 75.6 | Confident | 66.6 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 68% | 0.679 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.7 | -35.4 | -176.7 | -58.5 | -65.7 | 0 | 0 | 0 | 113.2 | Q378 C384 | Q378-D382 PolarHBondContact NE2-OD1 3.23Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.26Å |
| 383 | K | 68 | Low | 65.8 | Low | 191 Ų | 191 | 117.3 Ų | 117.3 | 83% | 0.83 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.8 | -31.5 | 171.5 | -56.9 | -172.8 | 177.6 | -171.1 | 0 | 113.1 | C381 | C381-K383 PolarHBondContact O-N 2.98Å |
| 384 | C | 72.4 | Confident | 64.8 | Low | 52 Ų | 52 | 120.1 Ų | 120.1 | 35% | 0.351 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -79.3 | -34.9 | -177.9 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | L380 C381 D382 V387 | L380-C384 HydrophobicContact CB-CB 3.93Å; L380-C384 HydrophobicContact CD2-CB 4.34Å; C381-C384 HydrophobicContact CB-CB 4.07Å; C381-C384 WeakPolarHBondContact CB-SG 3.41Å; C381-C384 CarbonylContact O-C 3.53Å; C381-C384 WeakPolarHBondContact O-CA 3.5Å; C381-C384 WeakPolarHBondContact O-CB 3.42Å; C381-C384 PolarHBondContact O-N 3Å; C381-C384 WeakPolarHBondContact SG-CB 3.38Å; C381-C384 PolarHBondContact SG-N 2.8Å; C381-C384 CovalentContact SG-SG 2.06Å; C381-C384 PolarHBondContact SG-SG 2.88Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.26Å; C384-V387 PolarHBondContact O-N 3.35Å |
| 385 | K | 74.1 | Confident | 63.5 | Low | 106 Ų | 106 | 122.5 Ų | 122.5 | 46% | 0.461 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.8 | -36.7 | -174.1 | -170 | 177.6 | -179 | -171.7 | 0 | 112.8 | Q378 L380 C381 A389 | Q378-K385 HydrophobicContact CG-CD 4.33Å; L380-K385 HydrophobicContact CB-CB 4.35Å; C381-K385 WeakPolarHBondContact O-CB 3.38Å; C381-K385 PolarHBondContact O-N 2.79Å; K385-A389 PolarHBondContact O-N 3.47Å |
| 386 | G | 65.6 | Low | 62.3 | Low | 41 Ų | 41 | 116.1 Ų | 116.1 | 42% | 0.423 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.1 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V388 A389 S390 | G386-V388 PolarHBondContact O-N 2.83Å; G386-A389 PolarHBondContact O-N 3.31Å; G386-S390 PolarHBondContact O-N 2.88Å; G386-S390 VanDerWaalsContact O-N 3.15Å; G386-S390 PolarHBondContact O-OG 3.08Å; G386-S390 VanDerWaalsContact O-OG 3.04Å |
| 387 | V | 65.9 | Low | 61.1 | Low | 112 Ų | 112 | 121.4 Ų | 121.4 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.1 | -43.4 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | C384 S390 | C384-V387 PolarHBondContact O-N 3.35Å; V387-S390 PolarHBondContact O-N 2.91Å |
| 388 | V | 61.4 | Low | 59.4 | Low | 103 Ų | 103 | 123.2 Ų | 123.2 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.2 | -34.5 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | L380 G386 S390 | L380-V388 HydrophobicContact CD1-CB 4.04Å; L380-V388 HydrophobicContact CD1-CG1 4.48Å; L380-V388 HydrophobicContact CD1-CG2 3.65Å; G386-V388 PolarHBondContact O-N 2.83Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 2.98Å |
| 389 | A | 61.1 | Low | 57.5 | Low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.1 | -27.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K385 G386 | K385-A389 PolarHBondContact O-N 3.47Å; G386-A389 PolarHBondContact O-N 3.31Å |
| 390 | S | 59.3 | Low | 55.7 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -0.4 | -176.7 | -62.2 | 0 | 0 | 0 | 0 | 115.3 | G386 V387 V388 G392 | G386-S390 PolarHBondContact O-N 2.88Å; G386-S390 VanDerWaalsContact O-N 3.15Å; G386-S390 PolarHBondContact O-OG 3.08Å; G386-S390 VanDerWaalsContact O-OG 3.04Å; V387-S390 PolarHBondContact O-N 2.91Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 2.98Å; S390-G392 VanDerWaalsContact C-N 3.27Å; S390-G392 PolarHBondContact O-N 3.44Å |
| 391 | G | 54.4 | Low | 54.1 | Low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -6.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 392 | G | 53.9 | Low | 52.2 | Low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107.5 | 2.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | S390 | S390-G392 VanDerWaalsContact C-N 3.27Å; S390-G392 PolarHBondContact O-N 3.44Å |
| 393 | H | 47.8 | Very low | 50.7 | Low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -154 | 112.5 | 171.1 | -139.3 | -81.1 | 0 | 0 | 0 | 113.2 | E395 | H393-E395 VanDerWaalsContact ND1-CG 3.28Å; H393-E395 WeakPolarHBondContact ND1-CG 3.48Å | ||
| 394 | R | 41.7 | Very low | 49.6 | Very low | 248 Ų | 248 | 132.9 Ų | 132.9 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | trans | -106.9 | 105.2 | 155.2 | -89.7 | -170.7 | 168.2 | -165.4 | -3.1 | 107.3 | ||||
| 395 | E | 37.5 | Very low | 48.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 150.6 | 172.7 | -70.3 | -178 | 101.2 | 0 | 0 | 111.8 | H393 | H393-E395 VanDerWaalsContact ND1-CG 3.28Å; H393-E395 WeakPolarHBondContact ND1-CG 3.48Å | ||
| 396 | A | 37.8 | Very low | 46.6 | Very low | 90 Ų | 90 | 148.2 Ų | 148.2 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -126.8 | 83.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 397 | R | 44.8 | Very low | 45.6 | Very low | 241 Ų | 241 | 157.4 Ų | 157.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 77.7 | 149.4 | 154.6 | -53.9 | 170.4 | 171.5 | 151.3 | -3.9 | 118.6 | ||||
| 398 | R | 31.3 | Very low | 45 | Very low | 250 Ų | 250 | 156.9 Ų | 156.9 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | 64.2 | 131.3 | 178.5 | -64.1 | -179.3 | 172.1 | -122.5 | 3 | 115 | ||||
| 399 | G | 33.3 | Very low | 43.7 | Very low | 78 Ų | 78 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | 115.3 | 108.6 | -14.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 400 | E | 33.5 | Very low | 42.3 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -152.8 | -171.7 | 156.9 | -142 | -151.4 | 113.9 | 0 | 0 | 110.9 | ||||
| 401 | E | 38.8 | Very low | 41.3 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -125.7 | 158.3 | -149 | -176.7 | 167.5 | 164.6 | 0 | 0 | 116 | ||||
| 402 | A | 38.2 | Very low | 41 | Very low | 74 Ų | 74 | 160.1 Ų | 160.1 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | trans | 33.4 | 131.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 403 | T | 44.1 | Very low | 40 | Very low | 142 Ų | 142 | 164.6 Ų | 164.6 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | -144.6 | 127.7 | 109.9 | -83.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 404 | R | 45.1 | Very low | 39.3 | Very low | 226 Ų | 226 | 162.6 Ų | 162.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -91.1 | 145.7 | 168.8 | -68.6 | 176.1 | 169.6 | -172.4 | -2 | 110 | ||||
| 405 | R | 40.9 | Very low | 39.1 | Very low | 240 Ų | 240 | 155.7 Ų | 155.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | -165.1 | 120.9 | 126.9 | -100.6 | 144.6 | -157.3 | -108.8 | 4.8 | 112.7 | |||||
| 406 | R | 41.6 | Very low | 38.8 | Very low | 240 Ų | 240 | 155.6 Ų | 155.6 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 19.8 | 153.9 | 147.9 | -62.5 | 179.7 | -179 | -177.6 | -0.3 | 120.2 | ||||
| 407 | R | 45.9 | Very low | 38.6 | Very low | 234 Ų | 234 | 157.2 Ų | 157.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | 172.9 | -176.8 | -19.6 | -137.1 | -160.3 | -179.9 | -162.1 | 4.2 | 104.3 | ||||
| 408 | P | 53.6 | Low | 38.4 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | -131.8 | -167.1 | -115.3 | 45.6 | -27.5 | 0 | 0 | 0 | 115.4 | |||||
| 409 | A | 33.2 | Very low | 38.6 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 71.8 | 142.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 410 | D | 30.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | -144 | 172.9 | 50.6 | -100.4 | -43.6 | 0 | 0 | 0 | 116.8 | |||||
| 411 | A | 39.6 | Very low | 39.2 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -133 | -158.7 | 168 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 412 | P | 47.9 | Very low | 38.9 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -138.8 | -169.2 | -7.7 | 31.4 | -6.2 | 0 | 0 | 0 | 114.4 | ||||
| 413 | M | 31.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 23.6 | 130.2 | 149.6 | 70.1 | -140 | -60.1 | 0 | 0 | 120.4 | ||||
| 414 | S | 34.8 | Very low | 38.5 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | 162.3 | 163.7 | 80 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 415 | S | 37 | Very low | 38 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | cis | -163.2 | 155.1 | -9.9 | 40.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | E | 30 | Very low | 37.6 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 80.4 | 150.8 | 145.5 | -78.4 | -128.1 | 102.8 | 0 | 0 | 124.4 | ||||
| 417 | L | 34.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | trans | 62.5 | 100.3 | 166.9 | -54.9 | -171.5 | 0 | 0 | 0 | 122.8 | ||||
| 418 | K | 39.5 | Very low | 36.6 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | 47.6 | 124.9 | 117.8 | -74.1 | 176.4 | -173.9 | 160.8 | 0 | 119 | |||||
| 419 | R | 36.3 | Very low | 35.6 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 34% | 0.343 | 73% | 0.726 | S | S | . | * | cis | -168.7 | 146.6 | 21.9 | -90.7 | 151.2 | 73.1 | 95.6 | 48.7 | 116 | L512 Q513 N514 | R419-L512 HydrophobicContact CB-CD1 3.88Å; R419-L512 VanDerWaalsContact O-CD1 3.28Å; R419-L512 WeakPolarHBondContact O-CD1 3.4Å; R419-Q513 VanDerWaalsContact CZ-CA 3.44Å; R419-Q513 PolarHBondContact NH2-O 2.63Å; R419-N514 PolarHBondContact NH2-ND2 2.94Å | ||
| 420 | L | 33.4 | Very low | 35.6 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 46% | 0.461 | 74% | 0.735 | S | S | . | * | trans | 44.9 | 104.9 | 147.5 | -44.5 | 176.8 | 0 | 0 | 0 | 123.9 | L512 | L420-L512 HydrophobicContact CB-CD1 3.81Å; L420-L512 HydrophobicContact CB-CD2 3.81Å; L420-L512 HydrophobicContact CB-CG 4.34Å; L420-L512 HydrophobicContact CD1-CB 4.46Å; L420-L512 HydrophobicContact CD1-CD2 4.14Å; L420-L512 WeakPolarHBondContact O-CD1 3.45Å | ||
| 421 | K | 46.4 | Very low | 35.7 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | 52.9 | 106.3 | 100.3 | -170.6 | 66.8 | 163.8 | 140.4 | 0 | 121.7 | D423 | K421-D423 WeakPolarHBondContact CE-OD2 3.33Å; K421-D423 IonicContact NZ-OD2 2.78Å; K421-D423 PolarHBondContact NZ-OD2 2.76Å | |||
| 422 | M | 32.8 | Very low | 35.4 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 82% | 0.823 | 74% | 0.744 | S | S | * | * | trans | -179.9 | 153 | 131.3 | -108.2 | -143.7 | 136 | 0 | 0 | 109.4 | ||||
| 423 | D | 36.8 | Very low | 34.7 | Very low | 101 Ų | 101 | 146 Ų | 146 | 54% | 0.54 | 75% | 0.754 | S | S | . | * | cis | -156.5 | -175.9 | -35 | -134.9 | -109.5 | 0 | 0 | 0 | 110.6 | K421 | K421-D423 WeakPolarHBondContact CE-OD2 3.33Å; K421-D423 IonicContact NZ-OD2 2.78Å; K421-D423 PolarHBondContact NZ-OD2 2.76Å | ||
| 424 | D | 36 | Very low | 34.6 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | -90.8 | 170.4 | -173.3 | -158.3 | -85.7 | 0 | 0 | 0 | 113.8 | ||||
| 425 | K | 34.7 | Very low | 34.5 | Very low | 205 Ų | 205 | 143 Ų | 143 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -142.9 | 96.3 | -177.8 | -171.2 | 178.8 | 178.6 | 177.7 | 0 | 114.5 | ||||
| 426 | S | 32.2 | Very low | 34.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -146 | 153.7 | 151.1 | 66 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 427 | G | 32.3 | Very low | 34.5 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | 172.5 | 139.4 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 428 | R | 35.3 | Very low | 34.8 | Very low | 251 Ų | 251 | 141.9 Ų | 141.9 | 95% | 0.947 | 77% | 0.766 | S | S | * | * | trans | 71.9 | 158.3 | 164.7 | -57.4 | -174.4 | 176.3 | -139 | -1.5 | 119.2 | ||||
| 429 | S | 32 | Very low | 34.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 53.9 | 108.1 | 173.5 | -58.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 430 | A | 34 | Very low | 35.1 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | cis | 73 | 99.3 | 43.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 431 | D | 33.2 | Very low | 35.1 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 142.1 | 168.8 | -156.3 | -26.1 | 0 | 0 | 0 | 107.5 | ||||
| 432 | K | 33.3 | Very low | 34.5 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -132.4 | 100.1 | -165.5 | -168.1 | 173.4 | -179.8 | 177.9 | 0 | 113.5 | ||||
| 433 | R | 32.2 | Very low | 34.9 | Very low | 228 Ų | 228 | 135.1 Ų | 135.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -130.5 | 150.4 | 161.8 | -65.7 | -176.5 | -174.7 | -169.4 | 2 | 106.9 | ||||
| 434 | S | 30.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | cis | -165 | 171.7 | -6.4 | 42.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 435 | S | 31.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 29.2 | 122.4 | 146.9 | 60.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 436 | G | 29.1 | Very low | 35.7 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 151.3 | 125.8 | 152 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 437 | L | 38.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -110.7 | 166.1 | 160.8 | -56 | 175.6 | 0 | 0 | 0 | 107.7 | ||||
| 438 | P | 41.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -114.3 | 177.6 | 56.4 | 2.1 | 22 | 0 | 0 | 0 | 112.8 | |||||
| 439 | G | 32.4 | Very low | 36 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 114.3 | 158.6 | 13 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 440 | P | 49.5 | Very low | 36.1 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -137.3 | 165.3 | -9.5 | 41.8 | -25.8 | 0 | 0 | 0 | 116.7 | ||||
| 441 | Q | 32.8 | Very low | 36.1 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 175.4 | 164.2 | 149.2 | -109.3 | -156 | 102.1 | 0 | 0 | 111 | ||||
| 442 | S | 33.9 | Very low | 36.1 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 57% | 0.573 | 77% | 0.772 | S | S | * | * | cis | -157.8 | 160 | -10.6 | -153.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 443 | S | 40.5 | Very low | 36.2 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | 37.4 | 113.4 | 145 | -64.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 444 | R | 44.3 | Very low | 36.1 | Very low | 205 Ų | 205 | 127.3 Ų | 127.3 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | 77.4 | 142.8 | 133.4 | -59.4 | 170 | -175.6 | -166.5 | -0.9 | 118.4 | ||||
| 445 | R | 41.6 | Very low | 36.3 | Very low | 208 Ų | 208 | 127.9 Ų | 127.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | -156 | 152.2 | -8.9 | -127.4 | -166.6 | -84.4 | -123.2 | 11.3 | 111.6 | ||||
| 446 | V | 39.6 | Very low | 36.5 | Very low | 98 Ų | 98 | 127 Ų | 127 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | -55.7 | 157.7 | -175.9 | -68.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 447 | L | 36.2 | Very low | 36.7 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | -169.7 | 178.8 | 81.6 | -75.7 | 174 | 0 | 0 | 0 | 112.2 | |||||
| 448 | R | 37.3 | Very low | 36.3 | Very low | 230 Ų | 230 | 126.1 Ų | 126.1 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | cis | 177.5 | 115.3 | -44.8 | -179 | -178.5 | -177.1 | -127.9 | 3.3 | 112.5 | ||||
| 449 | G | 31.8 | Very low | 36 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | 93.3 | 165.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 450 | V | 34.5 | Very low | 36 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | cis | -159.6 | 138.3 | -8.7 | 127 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 451 | V | 33.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | 35.2 | 134.4 | 163.2 | -47.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 452 | S | 34.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | 67.4 | 117.2 | 127.6 | -64.8 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 453 | S | 33.4 | Very low | 35.3 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 84.1 | 112.4 | 118.2 | -58.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 454 | S | 32 | Very low | 35.3 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 67.6 | 135.2 | 127.1 | 64.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 455 | S | 34.4 | Very low | 34.9 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 152.1 | 150.9 | 34 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 456 | S | 34.5 | Very low | 34.5 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | cis | -171.3 | 148.4 | -16.2 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 457 | T | 34.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 59.9 | 149.4 | 148.2 | 52 | 0 | 0 | 0 | 0 | 123 | ||||
| 458 | A | 30.8 | Very low | 34.4 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 74.8 | 156.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 459 | A | 32.9 | Very low | 34.4 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | cis | -170.3 | 163.8 | -30.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 460 | S | 32.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 130 Ų | 130 | 92% | 0.923 | 76% | 0.761 | S | S | * | * | trans | 66.6 | 141 | 156.4 | -62.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 461 | G | 31.5 | Very low | 35.2 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 177.2 | 113.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 462 | R | 36.3 | Very low | 35.3 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -115.9 | 123.8 | -164.8 | -152.5 | -161.1 | 177.3 | -154 | 3.5 | 110.9 | ||||
| 463 | M | 34.7 | Very low | 35.1 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 160.5 | 154 | -55.2 | -97.7 | 89.8 | 0 | 0 | 116.4 | ||||
| 464 | R | 39.4 | Very low | 35 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | cis | -164.8 | 173.9 | -6.9 | -125.2 | 174.2 | -179 | -174.6 | 0.4 | 109.3 | ||||
| 465 | L | 35.7 | Very low | 35.8 | Very low | 137 Ų | 137 | 137 Ų | 137 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 74.7 | 147 | 166 | -45 | -167.8 | 0 | 0 | 0 | 116.2 | ||||
| 466 | Q | 34.8 | Very low | 35.6 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -156.7 | 142.4 | -14.5 | -118 | 177.4 | -18.5 | 0 | 0 | 113.4 | ||||
| 467 | L | 36.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 67.9 | 145.2 | 143.6 | -72.5 | 165.6 | 0 | 0 | 0 | 124 | ||||
| 468 | N | 35.3 | Very low | 36.1 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 81 | 135.8 | 158.7 | 120.8 | 93.5 | 0 | 0 | 0 | 116.7 | ||||
| 469 | S | 38.3 | Very low | 36.5 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | -143.9 | 125.1 | -1.2 | -85.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 470 | K | 40 | Very low | 37.3 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | 28.5 | 101 | 135.5 | -57.1 | 174.5 | -179 | 175.1 | 0 | 118.7 | ||||
| 471 | K | 43.7 | Very low | 37.4 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | 157.1 | 152.8 | 113.5 | -85.6 | 173.9 | -178.5 | -176.3 | 0 | 111.5 | |||||
| 472 | V | 34.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | cis | -179.6 | 144.2 | -40.9 | 129.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 473 | L | 31.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 66.8 | 111.5 | 167 | -79.2 | 162.2 | 0 | 0 | 0 | 121.1 | ||||
| 474 | T | 30 | Very low | 37.8 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -62.5 | -177.4 | 137.8 | 33.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 475 | P | 49.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -136.6 | 159.1 | -27.2 | 31.8 | -13.3 | 0 | 0 | 0 | 115.7 | ||||
| 476 | A | 31.1 | Very low | 37.6 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 59.7 | -178 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 477 | P | 50.9 | Low | 37.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -122.8 | -162.3 | -15.6 | 29.4 | -6.3 | 0 | 0 | 0 | 113.3 | ||||
| 478 | D | 28.6 | Very low | 37.3 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 80.5 | 144.4 | 152.8 | -63.1 | -35.6 | 0 | 0 | 0 | 124.3 | ||||
| 479 | R | 38.9 | Very low | 37.1 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -105.8 | 155.4 | 167.5 | -127.8 | 177.2 | 169.3 | 179 | -4.7 | 106 | ||||
| 480 | P | 50 | Low | 36.7 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -158.3 | 158.8 | 72.6 | 40.3 | -19.2 | 0 | 0 | 0 | 119.2 | |||||
| 481 | D | 34.5 | Very low | 36.9 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 48.3 | 153 | 136.6 | -140.4 | -0.8 | 0 | 0 | 0 | 126.2 | ||||
| 482 | A | 33.8 | Very low | 36.3 | Very low | 63 Ų | 63 | 143 Ų | 143 | 52% | 0.521 | 77% | 0.771 | S | S | . | * | trans | 88.1 | 110.3 | 140 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 483 | R | 38.8 | Very low | 36 | Very low | 242 Ų | 242 | 146.6 Ų | 146.6 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | 134.5 | 146.1 | 130.6 | -71.1 | 155.9 | -164.3 | -149.7 | 3.2 | 111.8 | ||||
| 484 | K | 37.2 | Very low | 35.9 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | cis | 159.4 | 147.9 | -25.9 | -119.5 | -173.2 | 176.3 | 177.5 | 0 | 105 | ||||
| 485 | V | 35.2 | Very low | 36.8 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 141.3 | 158.5 | 163.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 486 | L | 35.7 | Very low | 36 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | cis | -173 | 180 | -16.5 | -176.2 | 60.3 | 0 | 0 | 0 | 107.7 | ||||
| 487 | Q | 31.7 | Very low | 36 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 91.3 | 140 | 161.2 | -61.9 | -157.2 | 73.8 | 0 | 0 | 117.3 | ||||
| 488 | K | 33.4 | Very low | 35.2 | Very low | 161 Ų | 161 | 155 Ų | 155 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | cis | -168.5 | 171.5 | -20.3 | -134.1 | -177.5 | -161.6 | 164 | 0 | 110.9 | ||||
| 489 | L | 32.2 | Very low | 35.3 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | 73.5 | 124.8 | 153.8 | -67.1 | 161 | 0 | 0 | 0 | 120.6 | ||||
| 490 | A | 30 | Very low | 35.2 | Very low | 82 Ų | 82 | 149.3 Ų | 149.3 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -96.2 | -169.7 | 147 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 491 | P | 43.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | cis | -152.3 | -176.7 | 24.2 | 42.1 | -18.7 | 0 | 0 | 0 | 120 | ||||
| 492 | H | 31.4 | Very low | 34.4 | Very low | 181 Ų | 181 | 152 Ų | 152 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | 95 | 128.9 | 137.7 | -108.1 | 5.4 | 0 | 0 | 0 | 125.2 | ||||
| 493 | R | 29.5 | Very low | 34.4 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | 64.3 | 108.3 | 144.4 | -67.3 | 177.1 | -170 | -142.9 | -0.5 | 123.9 | ||||
| 494 | R | 27.9 | Very low | 34.6 | Very low | 239 Ų | 239 | 150.7 Ų | 150.7 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | 31.5 | 161 | 98.7 | -82.9 | -166 | -178.2 | -164.1 | 2.7 | 120.1 | |||||
| 495 | P | 50 | Low | 34.3 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | cis | -150.4 | -177.5 | -22.2 | 39.3 | -18.1 | 0 | 0 | 0 | 118.5 | ||||
| 496 | K | 32 | Very low | 34.4 | Very low | 168 Ų | 168 | 146 Ų | 146 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 100.4 | 151 | 131.5 | -145.3 | 177 | 164.8 | -81.4 | 0 | 122.9 | ||||
| 497 | D | 31.3 | Very low | 34.3 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 52% | 0.519 | 74% | 0.737 | S | S | . | * | trans | 109.7 | 121.1 | 143.6 | -85.6 | -56.1 | 0 | 0 | 0 | 123.4 | ||||
| 498 | Q | 34.1 | Very low | 34.4 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 68.8 | 152.2 | 135.1 | -82.3 | 176.3 | 74.2 | 0 | 0 | 122.9 | ||||
| 499 | N | 30.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | cis | -164.6 | 162.4 | -13.8 | -160.4 | 5.6 | 0 | 0 | 0 | 113.5 | ||||
| 500 | Q | 36.2 | Very low | 34.7 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 64.6 | 121.7 | 140.7 | -102.9 | 166.4 | 35.1 | 0 | 0 | 127.6 | ||||
| 501 | D | 33.8 | Very low | 34.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | 116.8 | 144.6 | 112.6 | -142.4 | 4.5 | 0 | 0 | 0 | 122.5 | |||||
| 502 | R | 35.5 | Very low | 34.6 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | 54.7 | 139.1 | 164.9 | -76.3 | 152.2 | -141.5 | -151.2 | 7.1 | 121.7 | ||||
| 503 | G | 33.2 | Very low | 35.1 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | cis | 157.4 | 162.2 | -13.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 504 | K | 42.5 | Very low | 35.3 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | trans | 77.4 | 147.9 | 167 | -53.9 | 173.5 | -175.8 | 177.6 | 0 | 117.9 | ||||
| 505 | A | 31.1 | Very low | 35.7 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | cis | -172.3 | 149 | -19.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 506 | V | 36.6 | Very low | 35 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | 66.2 | 150.6 | 138.6 | 165.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 507 | T | 34.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | cis | -163.7 | -160.7 | -25.8 | -75.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 508 | R | 33.8 | Very low | 35.8 | Very low | 223 Ų | 223 | 136.7 Ų | 136.7 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -129.8 | 127 | -146.7 | 174 | -169.2 | -174.9 | -167.8 | 6.4 | 116.5 | ||||
| 509 | A | 36.3 | Very low | 36 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | 64.3 | 159.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 510 | A | 36 | Very low | 37 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | 98.9 | 123.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | L512 | A510-L512 HydrophobicContact CB-CD1 4.2Š| ||
| 511 | A | 31.2 | Very low | 37 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -155.7 | 126.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 512 | L | 39.9 | Very low | 37.3 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 34% | 0.34 | 76% | 0.759 | S | S | . | * | trans | -156.9 | 136.6 | -150.9 | -57.8 | 162 | 0 | 0 | 0 | 115.4 | R419 L420 A510 | R419-L512 HydrophobicContact CB-CD1 3.88Å; R419-L512 VanDerWaalsContact O-CD1 3.28Å; R419-L512 WeakPolarHBondContact O-CD1 3.4Å; L420-L512 HydrophobicContact CB-CD1 3.81Å; L420-L512 HydrophobicContact CB-CD2 3.81Å; L420-L512 HydrophobicContact CB-CG 4.34Å; L420-L512 HydrophobicContact CD1-CB 4.46Å; L420-L512 HydrophobicContact CD1-CD2 4.14Å; L420-L512 WeakPolarHBondContact O-CD1 3.45Å; A510-L512 HydrophobicContact CB-CD1 4.2Å | ||
| 513 | Q | 41.1 | Very low | 37.5 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -141.4 | 163.4 | 166.4 | -114 | 157.5 | 94.7 | 0 | 0 | 117.8 | R419 | R419-Q513 VanDerWaalsContact CZ-CA 3.44Å; R419-Q513 PolarHBondContact NH2-O 2.63Å | ||
| 514 | N | 34.6 | Very low | 37.4 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -149.9 | 137 | -166 | -117.1 | -126.2 | 0 | 0 | 0 | 112.2 | R419 | R419-N514 PolarHBondContact NH2-ND2 2.94Š| ||
| 515 | H | 36.8 | Very low | 37.3 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 95% | 0.954 | 75% | 0.747 | S | S | * | * | trans | -165.6 | 169.6 | 146.7 | -114.6 | -35.1 | 0 | 0 | 0 | 108.8 | ||||
| 516 | G | 33.7 | Very low | 37.4 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | cis | -161 | -149.8 | 5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 517 | Q | 37.8 | Very low | 37.5 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -105 | 127.3 | -160.3 | -60.9 | -178.7 | 24.7 | 0 | 0 | 115.7 | ||||
| 518 | K | 42.1 | Very low | 38.2 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | 64.4 | 158.1 | 124 | -144.2 | -176 | -178 | -177.7 | 0 | 121.8 | |||||
| 519 | V | 38.5 | Very low | 37.9 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | 76.9 | 141 | 166.5 | -49.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 520 | H | 52.1 | Low | 37.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -110.7 | 138.2 | 170.8 | -65.2 | -74.5 | 0 | 0 | 0 | 110 | ||||
| 521 | F | 36.8 | Very low | 37.5 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | -130 | 109.8 | 156.3 | -94.7 | -108 | 0 | 0 | 0 | 106.3 | ||||
| 522 | T | 39 | Very low | 37.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | 61.8 | 107.2 | 80.4 | 62.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 523 | R | 40.2 | Very low | 38 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 45.1 | 105 | 127.1 | -172 | -163.2 | -160.7 | -136.7 | 17.5 | 117.6 | L525 | R523-L525 HydrophobicContact CG-CG 4.22Å; R523-L525 VanDerWaalsContact NH2-CD1 3.33Å | |||
| 524 | R | 32.2 | Very low | 38.3 | Very low | 246 Ų | 246 | 140.4 Ų | 140.4 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -96.5 | 149.9 | 140.1 | -176.3 | 167.7 | -85.2 | -94.7 | 5.7 | 109.4 | ||||
| 525 | L | 38.6 | Very low | 38.6 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 47% | 0.466 | 78% | 0.783 | S | S | . | * | trans | -133.1 | 169.6 | -174.8 | -111 | -166.8 | 0 | 0 | 0 | 111.1 | R523 | R523-L525 HydrophobicContact CG-CG 4.22Å; R523-L525 VanDerWaalsContact NH2-CD1 3.33Å | ||
| 526 | Q | 33.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 75.6 | 107.8 | 150.8 | -75.1 | 154.1 | -31.8 | 0 | 0 | 120.2 | ||||
| 527 | N | 39.7 | Very low | 39.5 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | -22.1 | 165.9 | 127.2 | -66.8 | 74.5 | 0 | 0 | 0 | 115.9 | |||||
| 528 | P | 47.6 | Very low | 40 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -153.5 | -175.3 | 39.3 | 44.4 | -22.8 | 0 | 0 | 0 | 119.8 | ||||
| 529 | G | 27.7 | Very low | 40.4 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 128.1 | 120.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 530 | G | 30.3 | Very low | 40.6 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | -175.7 | -177.6 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 531 | A | 33.4 | Very low | 40.3 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 90.1 | 121.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 532 | A | 36.8 | Very low | 41.1 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 56.5 | 138.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 533 | V | 45 | Very low | 41.4 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -143.3 | 158.3 | 176.6 | -139.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 534 | P | 47.5 | Very low | 41.6 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | -142.9 | 162 | 83.6 | 34.3 | -16.2 | 0 | 0 | 0 | 116.6 | |||||
| 535 | A | 40.9 | Very low | 42 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | 56.5 | 91.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120 | L537 | A535-L537 PolarHBondContact O-N 2.94Š| ||
| 536 | P | 41.5 | Very low | 41.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 113.9 | 157.9 | 30.6 | -31.9 | 0 | 0 | 0 | 110.8 | ||||
| 537 | L | 47.3 | Very low | 42.2 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 146.7 | 174 | -68.7 | 173.3 | 0 | 0 | 0 | 111.7 | A535 | A535-L537 PolarHBondContact O-N 2.94Š|
| 538 | P | 50.2 | Low | 41.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 150.3 | 178.3 | 27.5 | -35 | 0 | 0 | 0 | 112 | R540 | P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.12Å |
| 539 | P | 49.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.2 | -178.3 | 25.3 | -34.1 | 0 | 0 | 0 | 111 | M541 | P539-M541 PolarHBondContact O-N 3.05Š|
| 540 | R | 41.6 | Very low | 41.4 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -57.3 | 113.6 | -176 | -66.3 | -178.6 | 81.1 | 129.3 | -1.2 | 110.7 | P538 R542 | P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.12Å; R540-R542 PolarHBondContact O-N 2.89Å; R540-R542 VanDerWaalsContact O-N 3.11Å | ||
| 541 | M | 46 | Very low | 41.7 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | -61.4 | 112.2 | 178.1 | -70.5 | 169.3 | 59.8 | 0 | 0 | 110.5 | P539 L543 | P539-M541 PolarHBondContact O-N 3.05Å; M541-L543 VanDerWaalsContact C-N 3.32Å; M541-L543 PolarHBondContact O-N 3.06Å | ||
| 542 | R | 54.2 | Low | 41.9 | Very low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 88 | 171.1 | -173.5 | 173.7 | 180 | 165.4 | 1 | 109.6 | R540 K544 | R540-R542 PolarHBondContact O-N 2.89Å; R540-R542 VanDerWaalsContact O-N 3.11Å; R542-K544 PolarHBondContact O-N 3.25Å | ||
| 543 | L | 44.3 | Very low | 42 | Very low | 145 Ų | 145 | 155.4 Ų | 155.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129.5 | 172.1 | -63.6 | 174.2 | 0 | 0 | 0 | 109.8 | M541 | M541-L543 VanDerWaalsContact C-N 3.32Å; M541-L543 PolarHBondContact O-N 3.06Å |
| 544 | K | 45.6 | Very low | 41.3 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 136.6 | 162 | -89.2 | 72.5 | 173.1 | -172.6 | 0 | 107.2 | R542 Q546 | R542-K544 PolarHBondContact O-N 3.25Å; K544-Q546 PolarHBondContact O-N 2.68Å |
| 545 | P | 41.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 153 Ų | 153 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.7 | 162.6 | -23.7 | 34.7 | 0 | 0 | 0 | 109.5 | R547 | P545-R547 PolarHBondContact O-N 2.8Š|
| 546 | Q | 35.5 | Very low | 40.5 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 128.5 | 167.1 | -99.1 | -76.3 | 13.8 | 0 | 0 | 108.5 | K544 | K544-Q546 PolarHBondContact O-N 2.68Š|
| 547 | R | 40.8 | Very low | 39.9 | Very low | 232 Ų | 232 | 154.3 Ų | 154.3 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 113.9 | 161.8 | -83.9 | -169 | 176.3 | -94.7 | 2.4 | 106.8 | P545 R549 | P545-R547 PolarHBondContact O-N 2.8Å; R547-R549 PolarHBondContact O-N 3.33Å | ||
| 548 | Y | 33 | Very low | 39 | Very low | 211 Ų | 211 | 151.5 Ų | 151.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -51.3 | 129.4 | 171.7 | -166.4 | -103.6 | 0 | 0 | 0 | 109.6 | ||||
| 549 | R | 31.6 | Very low | 38 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -74.3 | 132.3 | 163 | -96 | -173.2 | 163.9 | 111.6 | -6.5 | 107.6 | R547 D551 | R547-R549 PolarHBondContact O-N 3.33Å; R549-D551 IonicContact NE-OD1 3.87Å | ||
| 550 | T | 34 | Very low | 36.9 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 114.3 | 148.6 | -57.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 551 | D | 35.3 | Very low | 36.3 | Very low | 120 Ų | 120 | 147 Ų | 147 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | -79.7 | 154 | 174.6 | -68.8 | -80.3 | 0 | 0 | 0 | 110.1 | R549 | R549-D551 IonicContact NE-OD1 3.87Š| ||
| 552 | D | 37.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 119.3 | -169 | -170.7 | -56.1 | 0 | 0 | 0 | 109.9 | ||||
| 553 | P | 38.3 | Very low | 34.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -110.8 | 125 | 176 | 35.7 | -26 | 0 | 0 | 0 | 113.1 | ||||
| 554 | A | 31.9 | Very low | 34.2 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -144.6 | 167.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 555 | P | 44.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -130.4 | 164 | -49.4 | 37.8 | -26 | 0 | 0 | 0 | 112 | ||||
| 556 | S | 27.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -166.4 | 115.5 | 160 | -84.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 557 | S | 27.6 | Very low | 32.7 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 49.5 | 142.9 | 124.4 | -48.4 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 558 | A | 29.6 | Very low | 32.3 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 72.4 | 140.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 559 | S | 28.1 | Very low | 32.3 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -160.3 | 156.3 | -11.1 | -92.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 560 | E | 27.2 | Very low | 32.3 | Very low | 189 Ų | 189 | 123.8 Ų | 123.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 59.7 | 153.5 | 158.1 | -77.5 | 166 | 103.5 | 0 | 0 | 119.3 | ||||
| 561 | A | 29.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | cis | -145.5 | 170.5 | -10.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 562 | S | 33.1 | Very low | 32 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -91.2 | 158.2 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 563 | P | 34.3 | Very low | 32.2 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -132.7 | 165.4 | 105.1 | 38 | -31.2 | 0 | 0 | 0 | 114.5 | |||||
| 564 | R | 32.9 | Very low | 32 | Very low | 236 Ų | 236 | 121.9 Ų | 121.9 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -98.3 | 159.4 | 172.8 | -138 | 179.4 | -171.3 | -162 | 3.1 | 108.9 | ||||
| 565 | P | 32.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -149 | -178.9 | 96.8 | 40.2 | -24.5 | 0 | 0 | 0 | 115.2 | |||||
| 566 | A | 27.5 | Very low | 32.1 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 52.5 | 113.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 567 | A | 29.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -96.8 | 148.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 568 | S | 32.5 | Very low | 33.3 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -138.8 | 157.5 | 171.9 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 569 | P | 33.8 | Very low | 34.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -106.6 | 170 | -146.1 | 39.8 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 570 | T | 30.3 | Very low | 35 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 138.4 | 164 | -45.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 571 | P | 30.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -120 | 135.3 | 159.5 | 35.9 | -25.2 | 0 | 0 | 0 | 113 | ||||
| 572 | S | 33.2 | Very low | 36 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -174.5 | 151.1 | 165.2 | -75.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 573 | P | 41.3 | Very low | 36 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | cis | -123.2 | -179.5 | -15.9 | 41.5 | -28.3 | 0 | 0 | 0 | 112.4 | ||||
| 574 | P | 33.9 | Very low | 36 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -124.6 | 149.4 | 158.1 | 37.6 | -27 | 0 | 0 | 0 | 114.1 | ||||
| 575 | A | 36.3 | Very low | 35.8 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -166.3 | 164 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 576 | P | 42.4 | Very low | 35.9 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -123.8 | 166.7 | -25 | 39.2 | -26.4 | 0 | 0 | 0 | 112.8 | ||||
| 577 | P | 37.6 | Very low | 36.1 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -95.4 | 154.4 | 164.8 | 35.5 | -31.3 | 0 | 0 | 0 | 113.2 | ||||
| 578 | T | 41.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -123.6 | 171.5 | 177.5 | 12.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 579 | P | 47.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85 | 163.7 | -144.9 | 33.8 | -39.4 | 0 | 0 | 0 | 117.2 | ||
| 580 | P | 46.5 | Very low | 35.8 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 163.1 | 173.9 | 33 | -36.7 | 0 | 0 | 0 | 113.9 | ||
| 581 | P | 46.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 169.5 | -171.3 | 35.3 | -37.7 | 0 | 0 | 0 | 115.3 | ||
| 582 | A | 30.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 162.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 583 | V | 33.2 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -118.6 | 130 | 177.4 | -78.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 584 | V | 35 | Very low | 34.7 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | 33.6 | 119.2 | 147.5 | -165 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 585 | A | 28.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 149.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 586 | I | 35.5 | Very low | 34.1 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -130.3 | 132.8 | 162.6 | -65.7 | 179.7 | 0 | 0 | 0 | 107.1 | ||||
| 587 | E | 30.8 | Very low | 33.7 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -85.6 | 134.6 | 173 | -63.1 | 174 | 92.2 | 0 | 0 | 110.8 | ||||
| 588 | T | 31.2 | Very low | 33 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -151.7 | 155.8 | 143.8 | 7.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 589 | S | 31.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -60.3 | 167.2 | 171.4 | 61.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 590 | D | 27.1 | Very low | 31.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | cis | -147.5 | 170.2 | 29.4 | -87.8 | -75.3 | 0 | 0 | 0 | 112.5 | ||||
| 591 | G | 28.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -142.1 | 108.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 592 | E | 27 | Very low | 29.3 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -123.2 | 147.1 | 156.2 | -79.1 | -151.8 | 89.8 | 0 | 0 | 109.4 | ||||
| 593 | A | 28.7 | Very low | 29 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -140.2 | 104.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 594 | Q | 28.7 | Very low | 29.6 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -159.9 | 152.4 | 158.3 | -104.8 | 159.5 | -117.3 | 0 | 0 | 105.6 | ||||
| 595 | E | 28.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | cis | -153 | 163.1 | 24.2 | -160 | 178.4 | 117.6 | 0 | 0 | 110 | ||||
| 596 | G | 28.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 148.5 | 118.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 597 | A | 33.7 | Very low | 31.1 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -102.9 | 165.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 598 | G | 22.9 | Very low | 30.9 | Very low | 60 Ų | 60 | 134.3 Ų | 134.3 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 179.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 599 | W | 26.2 | Very low | 30.7 | Very low | 230 Ų | 230 | 133 Ų | 133 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | cis | -159.3 | 162.4 | 18.9 | -80.3 | 86.3 | 0 | 0 | 0 | 111.2 | ||||
| 600 | Q | 26.2 | Very low | 30.4 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 66.3 | 163 | 161.7 | -67.2 | 161.9 | 107.4 | 0 | 0 | 114.2 | ||||
| 601 | E | 24.6 | Very low | 30.4 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | cis | -158.6 | 175.1 | 30 | -170.6 | 163.8 | 89.6 | 0 | 0 | 112.2 | ||||
| 602 | A | 27.7 | Very low | 30.6 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | 86.5 | 125.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 603 | E | 25.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -80.4 | -169.1 | 162.6 | -122 | -167 | 98.1 | 0 | 0 | 110.8 | ||||
| 604 | P | 44.6 | Very low | 31 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | cis | -131.8 | -137.6 | -1.9 | 29.3 | -1.5 | 0 | 0 | 0 | 113.1 | ||||
| 605 | P | 50.2 | Low | 31.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | -128.2 | -176.3 | -92.7 | 42.3 | -26.3 | 0 | 0 | 0 | 115.6 | |||||
| 606 | L | 40.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 130 Ų | 130 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -97.8 | 146.4 | 159.4 | -64.5 | 173 | 0 | 0 | 0 | 110.6 | ||||
| 607 | P | 40.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -152.5 | 143.3 | 128.4 | 34.9 | -16.3 | 0 | 0 | 0 | 118.3 | |||||
| 608 | S | 27.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 55.4 | 121.6 | 128.5 | -54.8 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 609 | S | 27 | Very low | 31.7 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | 81.8 | 135.3 | 123.8 | -63.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 610 | C | 23.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 160.9 | 154.6 | 87 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 611 | S | 28 | Very low | 32 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -156.7 | 151.9 | 2.5 | -140.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 612 | L | 32.8 | Very low | 32.2 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | 37 | 160.7 | 145.1 | -62.7 | 173.7 | 0 | 0 | 0 | 125.1 | ||||
| 613 | D | 28.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 81.4 | 112.7 | 169.5 | -122 | 50.6 | 0 | 0 | 0 | 117.2 | ||||
| 614 | S | 35 | Very low | 32.4 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | 86.3 | 112.1 | 42 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 615 | S | 30.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | trans | -163.9 | 124.6 | 147.1 | -88.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 616 | H | 32 | Very low | 30.9 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -75.5 | 164.1 | 153.1 | -121.2 | -128.7 | 0 | 0 | 0 | 107.7 | ||||
| 617 | S | 38 | Very low | 30.6 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | cis | -179.7 | 177.3 | -5.9 | 40.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 618 | E | 30.2 | Very low | 30.8 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 82 | 170.9 | 156.1 | -50.3 | -144 | 92 | 0 | 0 | 119.7 | ||||
| 619 | C | 25.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | 74.6 | 107.9 | -166.9 | -155.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 620 | S | 27.1 | Very low | 33 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | 89.3 | 82 | 36.6 | -169.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 621 | S | 32.8 | Very low | 33.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 59.6 | 158.8 | 124.3 | -53 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 622 | T | 28 | Very low | 33.7 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 81.8 | 123.1 | 149.1 | 37.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 623 | E | 28.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 76.6 | 106.4 | 133.2 | -65.2 | -54.4 | 109.6 | 0 | 0 | 123.5 | ||||
| 624 | T | 29.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 131 Ų | 131 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | 79.4 | 122.7 | 108.8 | -97.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 625 | F | 30.1 | Very low | 34.3 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 40.4 | 130.7 | 153.1 | -64.3 | -81.8 | 0 | 0 | 0 | 123.7 | ||||
| 626 | D | 31.8 | Very low | 34.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | -167.9 | -177.2 | 95.2 | -140 | -36.8 | 0 | 0 | 0 | 112.8 | |||||
| 627 | L | 35 | Very low | 34.2 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -133.6 | -173.2 | -172.6 | -57.6 | 173.5 | 0 | 0 | 0 | 111.2 | ||||
| 628 | P | 45.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | -128.2 | -120.3 | -2 | 28.6 | -0.4 | 0 | 0 | 0 | 115.3 | ||||
| 629 | P | 54.6 | Low | 33.7 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -123.5 | -161.3 | -129.8 | 44.3 | -23.5 | 0 | 0 | 0 | 113.8 | |||||
| 630 | P | 45.6 | Very low | 34 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | cis | -131.6 | 173 | -7.5 | 42.2 | -26.6 | 0 | 0 | 0 | 116.1 | ||||
| 631 | G | 28.8 | Very low | 34.3 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 148.9 | 104.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 632 | D | 37.1 | Very low | 34.4 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -83.2 | 174.6 | 163.5 | -62.3 | -74.8 | 0 | 0 | 0 | 111.2 | ||||
| 633 | P | 50.1 | Low | 34.9 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -140 | -174.8 | 7.5 | 32 | -7.8 | 0 | 0 | 0 | 116.9 | ||||
| 634 | K | 28.7 | Very low | 35.5 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 109.2 | 99.6 | 151.3 | -61.3 | 171.7 | -176.1 | 174.5 | 0 | 118.9 | ||||
| 635 | S | 30.4 | Very low | 36.2 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 33.7 | 111.5 | 125.4 | -47.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 636 | S | 30.3 | Very low | 37.3 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -171.8 | 136.9 | 109.5 | 37 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 637 | T | 30.2 | Very low | 38.5 | Very low | 139 Ų | 139 | 115 Ų | 115 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -86 | 111.5 | 179.2 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 638 | S | 28.9 | Very low | 40.2 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -111.2 | 76 | 166.6 | 45.9 | 0 | 0 | 0 | 0 | 110 | S640 | S638-S640 PolarHBondContact O-N 3.44Š| ||
| 639 | S | 29.8 | Very low | 41.7 | Very low | 103 Ų | 103 | 109.9 Ų | 109.9 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -67.9 | 97.8 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | S641 | S639-S641 PolarHBondContact O-N 3.21Š| ||
| 640 | S | 31.5 | Very low | 43 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | -60.4 | 117.3 | 174.1 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | S638 S642 | S638-S640 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact O-N 3.27Å | ||
| 641 | S | 33.7 | Very low | 44.9 | Very low | 111 Ų | 111 | 107.6 Ų | 107.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -74 | 92 | -174.7 | 37.4 | 0 | 0 | 0 | 0 | 111.4 | S639 S643 | S639-S641 PolarHBondContact O-N 3.21Å; S641-S643 PolarHBondContact O-N 3.17Å | ||
| 642 | S | 34.8 | Very low | 47.7 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | -70.4 | 77.5 | 166.3 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | S640 S644 | S640-S642 PolarHBondContact O-N 3.27Å; S642-S644 VanDerWaalsContact C-N 3.3Å; S642-S644 PolarHBondContact O-N 3.27Å; S642-S644 PolarHBondContact O-OG 3.18Å | ||
| 643 | S | 37.3 | Very low | 50.2 | Low | 102 Ų | 102 | 106 Ų | 106 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -56.7 | 89.2 | 176 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | S641 S645 | S641-S643 PolarHBondContact O-N 3.17Å; S643-S645 PolarHBondContact O-N 3.27Å | ||
| 644 | S | 42.5 | Very low | 52.2 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -79.7 | 70.9 | -176.3 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | S642 S646 | S642-S644 VanDerWaalsContact C-N 3.3Å; S642-S644 PolarHBondContact O-N 3.27Å; S642-S644 PolarHBondContact O-OG 3.18Å; S644-S646 PolarHBondContact O-N 3.41Å | ||
| 645 | S | 43.6 | Very low | 55.1 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 74% | 0.741 | 62% | 0.619 | S | S | * | * | trans | -53.9 | 101.1 | -177.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | S643 S647 | S643-S645 PolarHBondContact O-N 3.27Å; S645-S647 PolarHBondContact O-N 3.44Å | ||
| 646 | S | 52.9 | Low | 58 | Low | 114 Ų | 114 | 94.7 Ų | 94.7 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | trans | -71.3 | 78.6 | 178.6 | 43 | 0 | 0 | 0 | 0 | 109.6 | S644 S648 | S644-S646 PolarHBondContact O-N 3.41Å; S646-S648 PolarHBondContact O-N 2.85Å | ||
| 647 | S | 57.3 | Low | 61 | Low | 29 Ų | 29 | 89.9 Ų | 89.9 | 20% | 0.203 | 57% | 0.572 | C | S | . | * | trans | -52.8 | 97.3 | -176.2 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | S645 V649 R693 D695 | S645-S647 PolarHBondContact O-N 3.44Å; S647-V649 WeakPolarHBondContact O-CG2 3.3Å; S647-V649 PolarHBondContact O-N 2.9Å; S647-V649 VanDerWaalsContact O-N 3.13Å; S647-R693 VanDerWaalsContact CB-CZ 3.49Å; S647-R693 VanDerWaalsContact CB-NH1 3.32Å; S647-R693 PolarHBondContact OG-NE 3.09Å; S647-R693 PolarHBondContact OG-NH1 2.86Å; S647-R693 PolarHBondContact OG-NH2 3.05Å; S647-R693 VanDerWaalsContact OG-NH2 3.16Å; S647-D695 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 648 | S | 70.4 | Confident | 63.9 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | trans | -59.7 | 118.2 | -173 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | S646 F650 G694 | S646-S648 PolarHBondContact O-N 2.85Å; S648-F650 PolarHBondContact O-N 3.38Å; S648-G694 PolarHBondContact O-N 3.11Å | ||
| 649 | V | 77.1 | Confident | 66.9 | Low | 72 Ų | 72 | 83.2 Ų | 83.2 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 98.5 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | S647 A691 R692 R693 | S647-V649 WeakPolarHBondContact O-CG2 3.3Å; S647-V649 PolarHBondContact O-N 2.9Å; S647-V649 VanDerWaalsContact O-N 3.13Å; V649-A691 HydrophobicContact CG1-CB 3.91Å; V649-R692 CarbonylContact C-O 3.59Å; V649-R692 WeakPolarHBondContact CA-O 3.4Å; V649-R693 HydrophobicContact CG2-CG 4.46Å |
| 650 | F | 81.4 | Confident | 69.6 | Low | 123 Ų | 123 | 83.1 Ų | 83.1 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.3 | -178.6 | 176.9 | -133.8 | 0 | 0 | 0 | 110.9 | S648 K652 A691 R692 | S648-F650 PolarHBondContact O-N 3.38Å; F650-K652 HydrophobicContact CD1-CG 4.47Å; F650-K652 HydrophobicContact CE1-CD 3.82Å; F650-K652 HydrophobicContact CE1-CG 3.74Å; F650-K652 HydrophobicContact CE2-CG 4.39Å; F650-K652 HydrophobicContact CZ-CD 4.08Å; F650-K652 HydrophobicContact CZ-CG 3.68Å; F650-A691 WeakPolarHBondContact O-CA 3.44Å; F650-R692 PolarHBondContact N-O 3.49Å; F650-R692 PolarHBondContact O-N 3.26Å |
| 651 | S | 85.4 | Confident | 72.1 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.7 | 179.4 | -62 | 0 | 0 | 0 | 0 | 111.3 | A691 | S651-A691 WeakPolarHBondContact OG-CB 3.46Å |
| 652 | K | 87.9 | Confident | 74.7 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137 | 171 | -81.6 | -174.6 | 156.9 | -178.7 | 0 | 110.4 | F650 T689 V690 | F650-K652 HydrophobicContact CD1-CG 4.47Å; F650-K652 HydrophobicContact CE1-CD 3.82Å; F650-K652 HydrophobicContact CE1-CG 3.74Å; F650-K652 HydrophobicContact CE2-CG 4.39Å; F650-K652 HydrophobicContact CZ-CD 4.08Å; F650-K652 HydrophobicContact CZ-CG 3.68Å; K652-T689 WeakPolarHBondContact O-CA 3.27Å; K652-V690 PolarHBondContact N-O 2.73Å; K652-V690 PolarHBondContact O-N 3.36Å |
| 653 | S | 90.8 | Very high | 77.2 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 148.8 | 155.4 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | I688 | S653-I688 CarbonylContact C-O 3.43Å; S653-I688 VanDerWaalsContact CA-O 3.3Å; S653-I688 WeakPolarHBondContact CA-O 3.21Å |
| 654 | V | 91.3 | Very high | 79.8 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.6 | 171 | -62 | 0 | 0 | 0 | 0 | 110.2 | K656 I688 V690 E767 | V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 WeakPolarHBondContact CG2-O 3.35Å; V654-I688 HydrophobicContact CG2-CB 3.85Å; V654-I688 HydrophobicContact CG2-CG2 3.69Å; V654-I688 PolarHBondContact N-O 2.88Å; V654-I688 WeakPolarHBondContact O-CB 3.5Å; V654-V690 HydrophobicContact CG2-CG2 3.89Å; V654-E767 VanDerWaalsContact CA-OE1 3.31Å; V654-E767 WeakPolarHBondContact CA-OE1 3.28Å |
| 655 | S | 90.5 | Very high | 82.2 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 12% | 0.119 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -77.9 | -15.9 | 175.3 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | C666 V667 E767 | S655-C666 CarbonylContact O-C 3.55Å; S655-C666 WeakPolarHBondContact O-CA 3.5Å; S655-C666 WeakPolarHBondContact O-CB 3.41Å; S655-V667 PolarHBondContact O-N 3.45Å; S655-E767 VanDerWaalsContact CB-CD 3.42Å; S655-E767 WeakPolarHBondContact CB-OE2 3.43Å; S655-E767 PolarHBondContact N-OE1 2.96Å; S655-E767 PolarHBondContact N-OE2 3.48Å; S655-E767 PolarHBondContact OG-OE2 3.15Å |
| 656 | K | 91.3 | Very high | 84.6 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.8 | -168.1 | -173.3 | -179.5 | -175.1 | -172.4 | 0 | 111.9 | V654 T664 V665 | V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 WeakPolarHBondContact CG2-O 3.35Å; K656-T664 HydrophobicContact CD-CG2 4.13Å; K656-T664 HydrophobicContact CG-CG2 3.55Å; K656-V665 WeakPolarHBondContact CA-O 3.43Å |
| 657 | C | 91.7 | Very high | 86.6 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 10% | 0.101 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.1 | 173.1 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | T664 V665 I688 L719 | C657-T664 CarbonylContact O-C 3.59Å; C657-T664 WeakPolarHBondContact O-CA 3.26Å; C657-V665 PolarHBondContact N-O 3.11Å; C657-V665 PolarHBondContact O-N 3.22Å; C657-V665 WeakPolarHBondContact SG-CG1 3.44Å; C657-I688 HydrophobicContact CB-CD1 4.39Å; C657-I688 HydrophobicContact CB-CG2 3.94Å; C657-L719 HydrophobicContact CB-CD1 3.95Å; C657-L719 WeakPolarHBondContact SG-CD1 3.46Å |
| 658 | L | 91.9 | Very high | 88.3 | Confident | 106 Ų | 106 | 62 Ų | 62 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.7 | 173.6 | -61.8 | 177.8 | 0 | 0 | 0 | 110.7 | R663 L719 | L658-R663 CarbonylContact C-O 3.59Å; L658-R663 WeakPolarHBondContact CA-O 3.4Å; L658-L719 WeakPolarHBondContact O-CD1 3.47Å |
| 659 | L | 91.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | trans | -79.1 | 160.6 | 167.5 | -92.7 | 60 | 0 | 0 | 0 | 110.6 | D661 G662 R663 V665 L722 P724 | L659-D661 WeakPolarHBondContact CB-OD1 3.25Å; L659-D661 PolarHBondContact O-N 2.91Å; L659-G662 PolarHBondContact O-N 2.93Å; L659-R663 PolarHBondContact N-O 2.81Å; L659-V665 HydrophobicContact CD1-CB 3.71Å; L659-V665 HydrophobicContact CD1-CG1 3.31Å; L659-L722 HydrophobicContact CD2-CB 4.11Å; L659-L722 HydrophobicContact CG-CB 4.48Å; L659-P724 HydrophobicContact CD2-CG 4.31Å | ||
| 660 | P | 86.8 | Confident | 90.4 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -8 | 174.5 | -23.7 | 35.7 | 0 | 0 | 0 | 115.5 | G662 A720 | P660-G662 VanDerWaalsContact C-N 3.3Å; P660-A720 HydrophobicContact CG-CB 3.97Å |
| 661 | D | 85.1 | Confident | 91.2 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.2 | 171.5 | 67.2 | -0.3 | 0 | 0 | 0 | 113.1 | L659 R663 | L659-D661 WeakPolarHBondContact CB-OD1 3.25Å; L659-D661 PolarHBondContact O-N 2.91Å; D661-R663 PolarHBondContact O-N 2.8Å; D661-R663 VanDerWaalsContact OD1-CB 3.27Å; D661-R663 WeakPolarHBondContact OD1-CB 3.46Å; D661-R663 WeakPolarHBondContact OD1-CG 3.49Å; D661-R663 PolarHBondContact OD1-N 3Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 WeakPolarHBondContact OD2-CD 3.43Å; D661-R663 IonicContact OD2-NE 3.64Å; D661-R663 PolarHBondContact OD2-NE 2.87Å |
| 662 | G | 86.8 | Confident | 91.7 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 79 | -1.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L659 P660 | L659-G662 PolarHBondContact O-N 2.93Å; P660-G662 VanDerWaalsContact C-N 3.3Å |
| 663 | R | 88.9 | Confident | 92.2 | Very high | 101 Ų | 101 | 41.3 Ų | 41.3 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | trans | -88.6 | 151.9 | -175.5 | -55.9 | 177.3 | -167.6 | -147.2 | 0.5 | 111.2 | L658 L659 D661 P724 E727 | L658-R663 CarbonylContact C-O 3.59Å; L658-R663 WeakPolarHBondContact CA-O 3.4Å; L659-R663 PolarHBondContact N-O 2.81Å; D661-R663 PolarHBondContact O-N 2.8Å; D661-R663 VanDerWaalsContact OD1-CB 3.27Å; D661-R663 WeakPolarHBondContact OD1-CB 3.46Å; D661-R663 WeakPolarHBondContact OD1-CG 3.49Å; D661-R663 PolarHBondContact OD1-N 3Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 WeakPolarHBondContact OD2-CD 3.43Å; D661-R663 IonicContact OD2-NE 3.64Å; D661-R663 PolarHBondContact OD2-NE 2.87Å; R663-P724 HydrophobicContact CB-CG 4.19Å; R663-E727 IonicContact CZ-OE2 3.13Å; R663-E727 IonicContact NH1-OE2 2.69Å; R663-E727 PolarHBondContact NH1-OE2 2.89Å | ||
| 664 | T | 91.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 142.4 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | K656 C657 | K656-T664 HydrophobicContact CD-CG2 4.13Å; K656-T664 HydrophobicContact CG-CG2 3.55Å; C657-T664 CarbonylContact O-C 3.59Å; C657-T664 WeakPolarHBondContact O-CA 3.26Å |
| 665 | V | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141 | 156.1 | 73.5 | 0 | 0 | 0 | 0 | 109.8 | K656 C657 L659 D669 V671 V685 I688 | K656-V665 WeakPolarHBondContact CA-O 3.43Å; C657-V665 PolarHBondContact N-O 3.11Å; C657-V665 PolarHBondContact O-N 3.22Å; C657-V665 WeakPolarHBondContact SG-CG1 3.44Å; L659-V665 HydrophobicContact CD1-CB 3.71Å; L659-V665 HydrophobicContact CD1-CG1 3.31Å; V665-D669 HydrophobicContact CG2-CB 3.68Å; V665-V671 HydrophobicContact CG2-CG1 3.65Å; V665-V685 HydrophobicContact CG2-CG2 3.79Å; V665-I688 HydrophobicContact CG1-CD1 4.3Å |
| 666 | C | 94 | Very high | 92.8 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 164.8 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 112 | S655 D669 R760 T764 | S655-C666 CarbonylContact O-C 3.55Å; S655-C666 WeakPolarHBondContact O-CA 3.5Å; S655-C666 WeakPolarHBondContact O-CB 3.41Å; C666-D669 WeakPolarHBondContact CB-OD2 3.36Å; C666-D669 PolarHBondContact N-OD2 2.85Å; C666-D669 WeakPolarHBondContact O-CB 3.09Å; C666-D669 PolarHBondContact O-N 2.85Å; C666-R760 HydrophobicContact CB-CG 4.19Å; C666-T764 HydrophobicContact CB-CG2 3.88Å |
| 667 | V | 94 | Very high | 92.9 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 139.5 | 163.1 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | S655 D669 V685 I688 | S655-V667 PolarHBondContact O-N 3.45Å; V667-D669 VanDerWaalsContact C-N 3.31Å; V667-D669 PolarHBondContact O-N 2.88Å; V667-V685 HydrophobicContact CG2-CG1 4.42Å; V667-I688 HydrophobicContact CG2-CD1 4.2Å; V667-I688 HydrophobicContact CG2-CG1 4.42Å |
| 668 | G | 93.9 | Very high | 93 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -20.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R684 V685 | G668-R684 WeakPolarHBondContact O-CG 3.45Å; G668-R684 PolarHBondContact O-NH1 2.84Å; G668-V685 WeakPolarHBondContact CA-O 3.28Å; G668-V685 PolarHBondContact N-O 3.05Å |
| 669 | D | 95.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 50 Ų | 50 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -63 | 152 | -178.9 | -86 | -40 | 0 | 0 | 0 | 113.3 | V665 C666 V667 R684 V685 L755 R760 | V665-D669 HydrophobicContact CG2-CB 3.68Å; C666-D669 WeakPolarHBondContact CB-OD2 3.36Å; C666-D669 PolarHBondContact N-OD2 2.85Å; C666-D669 WeakPolarHBondContact O-CB 3.09Å; C666-D669 PolarHBondContact O-N 2.85Å; V667-D669 VanDerWaalsContact C-N 3.31Å; V667-D669 PolarHBondContact O-N 2.88Å; D669-R684 WeakPolarHBondContact O-CA 3.42Å; D669-V685 PolarHBondContact O-N 3.2Å; D669-L755 HydrophobicContact CB-CD2 4.41Å; D669-L755 WeakPolarHBondContact OD1-CD2 3.43Å; D669-R760 IonicContact OD1-CZ 2.71Å; D669-R760 VanDerWaalsContact OD1-CZ 3.26Å; D669-R760 IonicContact OD1-NE 2.76Å; D669-R760 PolarHBondContact OD1-NE 3.02Å; D669-R760 IonicContact OD1-NH2 3.91Å; D669-R760 PolarHBondContact OD1-NH2 3.48Å; D669-R760 IonicContact OD2-NE 3.81Å; D669-R760 PolarHBondContact OD2-NE 3.34Å | ||
| 670 | I | 96.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.3 | 176 | -46.1 | -45.3 | 0 | 0 | 0 | 108.3 | R684 F709 F725 A748 A751 A752 | I670-R684 HydrophobicContact CD1-CB 4.27Å; I670-R684 HydrophobicContact CD1-CG 4.06Å; I670-F709 HydrophobicContact CD1-CE2 3.91Å; I670-F709 HydrophobicContact CD1-CZ 3.69Å; I670-F709 HydrophobicContact CG2-CE2 3.91Å; I670-F725 VanDerWaalsContact C-CB 3.48Å; I670-F725 HydrophobicContact CB-CB 3.96Å; I670-F725 HydrophobicContact CB-CD1 4.31Å; I670-F725 HydrophobicContact CB-CG 4.31Å; I670-F725 HydrophobicContact CG2-CB 3.65Å; I670-F725 HydrophobicContact CG2-CD1 3.65Å; I670-F725 HydrophobicContact CG2-CD2 4.17Å; I670-F725 HydrophobicContact CG2-CE1 4.31Å; I670-F725 HydrophobicContact CG2-CG 3.56Å; I670-F725 WeakPolarHBondContact O-CB 3.39Å; I670-F725 PolarHBondContact O-N 2.85Å; I670-F725 VanDerWaalsContact O-N 3.14Å; I670-A748 HydrophobicContact CG2-CB 3.97Å; I670-A751 HydrophobicContact CD1-CB 3.9Å; I670-A751 HydrophobicContact CG1-CB 4.27Å; I670-A752 HydrophobicContact CB-CB 4.22Å; I670-A752 HydrophobicContact CG1-CB 3.84Å |
| 671 | V | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 153.5 | -177.9 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | V665 P682 A683 V685 L722 S723 | V665-V671 HydrophobicContact CG2-CG1 3.65Å; V671-P682 CarbonylContact O-C 3.54Å; V671-P682 WeakPolarHBondContact O-CA 3.06Å; V671-A683 HydrophobicContact CG2-CB 4.39Å; V671-A683 WeakPolarHBondContact CG2-O 3.4Å; V671-A683 PolarHBondContact N-O 2.92Å; V671-A683 PolarHBondContact O-N 3.17Å; V671-A683 VanDerWaalsContact O-O 3.12Å; V671-V685 HydrophobicContact CG1-CG2 4.12Å; V671-V685 HydrophobicContact CG2-CG2 3.96Å; V671-L722 HydrophobicContact CG2-CD1 4.28Å; V671-L722 HydrophobicContact CG2-CD2 4.01Å; V671-S723 CarbonylContact C-O 3.49Å; V671-S723 WeakPolarHBondContact CA-O 3.13Å |
| 672 | W | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.3 | 152.9 | -64.6 | 99.1 | 0 | 0 | 0 | 108.6 | W680 L722 S723 F725 F729 R732 F733 Y741 I745 | W672-W680 HydrophobicContact CB-CE3 3.63Å; W672-W680 HydrophobicContact CB-CZ3 4.16Å; W672-W680 HydrophobicContact CE3-CB 4.04Å; W672-L722 CarbonylContact O-C 3.51Å; W672-L722 WeakPolarHBondContact O-CA 3.48Å; W672-S723 PolarHBondContact N-O 2.85Å; W672-S723 PolarHBondContact O-N 2.97Å; W672-F725 VanDerWaalsContact CD1-CA 3.49Å; W672-F725 HydrophobicContact CD2-CD2 4.06Å; W672-F725 HydrophobicContact CD2-CE2 4.45Å; W672-F725 AromaticContact CE2-CD2 3.58Å; W672-F725 AromaticContact CE2-CE2 3.82Å; W672-F725 HydrophobicContact CG-CD2 4.32Å; W672-F725 HydrophobicContact CH2-CE2 4.33Å; W672-F725 HydrophobicContact CZ2-CD2 4.03Å; W672-F725 AromaticContact CZ2-CE2 3.76Å; W672-F725 HydrophobicContact CZ2-CE2 3.76Å; W672-F725 AromaticContact NE1-CD2 3.49Å; W672-F725 PolarHBondContact NE1-O 3.28Å; W672-F729 AromaticContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CE2 4.27Å; W672-F729 HydrophobicContact CZ2-CG 4.49Å; W672-R732 HydrophobicContact CB-CG 4.41Å; W672-R732 HydrophobicContact CD2-CB 3.47Å; W672-R732 VanDerWaalsContact CD2-CB 3.47Å; W672-R732 HydrophobicContact CD2-CG 4.1Å; W672-R732 VanDerWaalsContact CE2-CB 3.45Å; W672-R732 HydrophobicContact CE3-CB 3.84Å; W672-R732 HydrophobicContact CG-CB 3.86Å; W672-R732 HydrophobicContact CG-CG 3.92Å; W672-R732 HydrophobicContact CH2-CB 4.03Å; W672-R732 HydrophobicContact CZ2-CB 3.75Å; W672-R732 HydrophobicContact CZ3-CB 4.09Å; W672-F733 HydrophobicContact CH2-CB 4.12Å; W672-F733 HydrophobicContact CZ2-CB 4.24Å; W672-Y741 HydrophobicContact CZ3-CE2 4.37Å; W672-I745 HydrophobicContact CH2-CD1 3.21Å; W672-I745 HydrophobicContact CZ2-CD1 4.02Å; W672-I745 HydrophobicContact CZ3-CD1 3.66Å |
| 673 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W681 A683 V706 W708 L717 Q721 L722 | A673-W681 PolarHBondContact N-O 2.86Å; A673-W681 PolarHBondContact O-N 2.78Å; A673-W681 VanDerWaalsContact O-N 3.08Å; A673-A683 HydrophobicContact CB-CB 3.91Å; A673-V706 HydrophobicContact CB-CG2 4.46Å; A673-W708 HydrophobicContact CB-CE3 4.3Å; A673-W708 HydrophobicContact CB-CH2 3.4Å; A673-W708 HydrophobicContact CB-CZ2 4.26Å; A673-W708 HydrophobicContact CB-CZ3 3.41Å; A673-W708 VanDerWaalsContact CB-CZ3 3.41Å; A673-L717 HydrophobicContact CB-CD1 3.66Å; A673-Q721 CarbonylContact C-O 3.41Å; A673-Q721 WeakPolarHBondContact CA-O 3.21Å; A673-L722 HydrophobicContact CB-CD2 3.67Å |
| 674 | K | 96.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 27% | 0.274 | 21% | 0.209 | S | C | . | . | trans | -135.7 | 95.7 | -171.8 | -175 | 66.5 | -174.6 | 79.5 | 0 | 114.1 | F678 W680 Q721 | K674-F678 WeakPolarHBondContact CE-O 3.34Å; K674-F678 PolarHBondContact NZ-O 2.75Å; K674-W680 HydrophobicContact CB-CD2 3.77Å; K674-W680 HydrophobicContact CB-CE3 3.62Å; K674-W680 HydrophobicContact CB-CH2 3.8Å; K674-W680 HydrophobicContact CB-CZ2 3.9Å; K674-W680 HydrophobicContact CB-CZ3 3.66Å; K674-W680 HydrophobicContact CD-CD2 4.04Å; K674-W680 HydrophobicContact CD-CG 3.99Å; K674-W680 HydrophobicContact CG-CD2 4.19Å; K674-W680 HydrophobicContact CG-CZ2 4.16Å; K674-Q721 PolarHBondContact N-O 3.42Å; K674-Q721 PolarHBondContact O-OE1 2.75Å | ||
| 675 | I | 96.1 | Very high | 95.7 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | trans | -86.9 | 162.2 | 166.4 | 52.9 | 175.4 | 0 | 0 | 0 | 112.5 | F678 W708 L717 | I675-F678 HydrophobicContact CD1-CB 4.35Å; I675-F678 HydrophobicContact CD1-CD2 3.5Å; I675-F678 VanDerWaalsContact CD1-CD2 3.5Å; I675-F678 HydrophobicContact CD1-CE2 4.07Å; I675-F678 HydrophobicContact CD1-CG 4.09Å; I675-F678 HydrophobicContact CG1-CB 3.95Å; I675-F678 HydrophobicContact CG1-CD2 3.8Å; I675-F678 HydrophobicContact CG1-CG 4.21Å; I675-W708 HydrophobicContact CB-CZ2 4.45Å; I675-W708 HydrophobicContact CD1-CH2 4.41Å; I675-W708 HydrophobicContact CD1-CZ2 4.01Å; I675-W708 HydrophobicContact CG1-CH2 4.03Å; I675-W708 HydrophobicContact CG1-CZ2 4.03Å; I675-W708 HydrophobicContact CG2-CH2 4.09Å; I675-W708 HydrophobicContact CG2-CZ2 3.68Å; I675-L717 HydrophobicContact CG2-CD2 3.34Å | ||
| 676 | Y | 94.1 | Very high | 95.8 | Very high | 225 Ų | 225 | 42 Ų | 42 | 88% | 0.882 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 147.9 | 174 | -175.5 | -101.1 | 0 | 0 | 0 | 111.7 | F678 | Y676-F678 WeakPolarHBondContact O-CD2 3.31Å; Y676-F678 PolarHBondContact O-N 2.87Å |
| 677 | G | 93.9 | Very high | 95.8 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 678 | F | 93.3 | Very high | 95.8 | Very high | 131 Ų | 131 | 41.2 Ų | 41.2 | 58% | 0.575 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -105.3 | 159.6 | -179.5 | -64 | -88.8 | 0 | 0 | 0 | 112.3 | K674 I675 Y676 | K674-F678 WeakPolarHBondContact CE-O 3.34Å; K674-F678 PolarHBondContact NZ-O 2.75Å; I675-F678 HydrophobicContact CD1-CB 4.35Å; I675-F678 HydrophobicContact CD1-CD2 3.5Å; I675-F678 VanDerWaalsContact CD1-CD2 3.5Å; I675-F678 HydrophobicContact CD1-CE2 4.07Å; I675-F678 HydrophobicContact CD1-CG 4.09Å; I675-F678 HydrophobicContact CG1-CB 3.95Å; I675-F678 HydrophobicContact CG1-CD2 3.8Å; I675-F678 HydrophobicContact CG1-CG 4.21Å; Y676-F678 WeakPolarHBondContact O-CD2 3.31Å; Y676-F678 PolarHBondContact O-N 2.87Å |
| 679 | P | 94.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | trans | -67.6 | 179.5 | 170.1 | 35 | -41.8 | 0 | 0 | 0 | 111.4 | W681 | P679-W681 HydrophobicContact CG-CE3 4.08Å; P679-W681 PolarHBondContact O-N 2.94Å | ||
| 680 | W | 96 | Very high | 95.6 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 20% | 0.197 | 22% | 0.219 | C | C | . | . | trans | -60.5 | 130.2 | 157.4 | -71.7 | 94.7 | 0 | 0 | 0 | 109.5 | W672 K674 Q721 R732 | W672-W680 HydrophobicContact CB-CE3 3.63Å; W672-W680 HydrophobicContact CB-CZ3 4.16Å; W672-W680 HydrophobicContact CE3-CB 4.04Å; K674-W680 HydrophobicContact CB-CD2 3.77Å; K674-W680 HydrophobicContact CB-CE3 3.62Å; K674-W680 HydrophobicContact CB-CH2 3.8Å; K674-W680 HydrophobicContact CB-CZ2 3.9Å; K674-W680 HydrophobicContact CB-CZ3 3.66Å; K674-W680 HydrophobicContact CD-CD2 4.04Å; K674-W680 HydrophobicContact CD-CG 3.99Å; K674-W680 HydrophobicContact CG-CD2 4.19Å; K674-W680 HydrophobicContact CG-CZ2 4.16Å; W680-Q721 WeakPolarHBondContact CZ3-O 3.41Å; W680-R732 HydrophobicContact CB-CB 4.38Å; W680-R732 HydrophobicContact CG-CG 4.49Å; W680-R732 VanDerWaalsContact CZ2-NH2 3.33Å | ||
| 681 | W | 97.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 17% | 0.167 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.7 | -177.7 | -164.1 | -75.7 | 0 | 0 | 0 | 109.2 | A673 P679 W708 F709 P740 Y741 A744 | A673-W681 PolarHBondContact N-O 2.86Å; A673-W681 PolarHBondContact O-N 2.78Å; A673-W681 VanDerWaalsContact O-N 3.08Å; P679-W681 HydrophobicContact CG-CE3 4.08Å; P679-W681 PolarHBondContact O-N 2.94Å; W681-W708 HydrophobicContact CB-CE3 3.87Å; W681-W708 HydrophobicContact CB-CZ3 3.78Å; W681-W708 AromaticContact CD1-CE3 3.9Å; W681-W708 HydrophobicContact CG-CE3 4.18Å; W681-F709 PolarHBondContact NE1-O 2.78Å; W681-P740 HydrophobicContact CH2-CB 4.34Å; W681-Y741 HydrophobicContact CD2-CD2 4.04Å; W681-Y741 AromaticContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CE2 4.37Å; W681-Y741 HydrophobicContact CH2-CD2 4.24Å; W681-Y741 AromaticContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CG 4.33Å; W681-A744 HydrophobicContact CZ2-CB 4Å |
| 682 | P | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.3 | 179.6 | 27.3 | -36.4 | 0 | 0 | 0 | 112.4 | V671 F709 F725 A744 I745 A748 | V671-P682 CarbonylContact O-C 3.54Å; V671-P682 WeakPolarHBondContact O-CA 3.06Å; P682-F709 HydrophobicContact CB-CB 4.42Å; P682-F709 HydrophobicContact CB-CD2 4.1Å; P682-F709 HydrophobicContact CG-CB 4.17Å; P682-F709 PolarHBondContact O-N 2.98Å; P682-F725 HydrophobicContact CB-CD2 4.15Å; P682-F725 HydrophobicContact CB-CE2 3.84Å; P682-A744 HydrophobicContact CG-CB 3.97Å; P682-I745 HydrophobicContact CG-CD1 3.89Å; P682-I745 HydrophobicContact CG-CG1 4.38Å; P682-A748 HydrophobicContact CB-CB 3.56Å; P682-A748 HydrophobicContact CG-CB 4.11Å |
| 683 | A | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | V671 A673 V706 S707 W708 | V671-A683 HydrophobicContact CG2-CB 4.39Å; V671-A683 WeakPolarHBondContact CG2-O 3.4Å; V671-A683 PolarHBondContact N-O 2.92Å; V671-A683 PolarHBondContact O-N 3.17Å; V671-A683 VanDerWaalsContact O-O 3.12Å; A673-A683 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CG2 3.96Å; A683-S707 CarbonylContact C-O 3.56Å; A683-S707 WeakPolarHBondContact CA-O 3.17Å; A683-S707 VanDerWaalsContact CB-O 3.28Å; A683-S707 WeakPolarHBondContact CB-O 3.45Å; A683-W708 HydrophobicContact CB-CD2 4.34Å; A683-W708 HydrophobicContact CB-CE3 4.01Å; A683-W708 HydrophobicContact CB-CZ3 4.46Å |
| 684 | R | 97.2 | Very high | 93 | Very high | 71 Ų | 71 | 56 Ų | 56 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.3 | 170.2 | -173.9 | -171.3 | -67.3 | -86.2 | 15.8 | 109.4 | G668 D669 I670 V706 S707 F709 | G668-R684 WeakPolarHBondContact O-CG 3.45Å; G668-R684 PolarHBondContact O-NH1 2.84Å; D669-R684 WeakPolarHBondContact O-CA 3.42Å; I670-R684 HydrophobicContact CD1-CB 4.27Å; I670-R684 HydrophobicContact CD1-CG 4.06Å; R684-V706 CarbonylContact O-C 3.54Å; R684-V706 WeakPolarHBondContact O-CA 3.49Å; R684-V706 WeakPolarHBondContact O-CB 3.3Å; R684-S707 PolarHBondContact N-O 3.37Å; R684-S707 PolarHBondContact O-N 2.87Å; R684-F709 HydrophobicContact CB-CE2 3.84Å; R684-F709 HydrophobicContact CB-CZ 3.98Å |
| 685 | V | 96.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.3 | 170.5 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | V665 V667 G668 D669 V671 I688 A704 V706 L722 | V665-V685 HydrophobicContact CG2-CG2 3.79Å; V667-V685 HydrophobicContact CG2-CG1 4.42Å; G668-V685 WeakPolarHBondContact CA-O 3.28Å; G668-V685 PolarHBondContact N-O 3.05Å; D669-V685 PolarHBondContact O-N 3.2Å; V671-V685 HydrophobicContact CG1-CG2 4.12Å; V671-V685 HydrophobicContact CG2-CG2 3.96Å; V685-I688 HydrophobicContact CG1-CD1 4.29Å; V685-I688 HydrophobicContact CG1-CG1 3.85Å; V685-A704 HydrophobicContact CG1-CB 4.44Å; V685-V706 HydrophobicContact CG2-CG1 4.34Å; V685-L722 HydrophobicContact CG2-CD1 4.37Å |
| 686 | L | 95.3 | Very high | 90.7 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -21.8 | 176.8 | -59.9 | -174.5 | 0 | 0 | 0 | 113.2 | R705 T714 | L686-R705 HydrophobicContact CB-CB 4.48Å; L686-R705 HydrophobicContact CB-CG 4.33Å; L686-R705 HydrophobicContact CD1-CG 4.39Å; L686-R705 PolarHBondContact N-O 3.35Å; L686-T714 HydrophobicContact CD1-CG2 3.76Å |
| 687 | G | 93.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | 148.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A704 R705 | G687-A704 CarbonylContact O-C 3.49Å; G687-A704 WeakPolarHBondContact O-CA 3.42Å; G687-R705 PolarHBondContact N-O 2.99Å; G687-R705 PolarHBondContact O-N 3.49Å |
| 688 | I | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.2 | 173.3 | -56.5 | 146.4 | 0 | 0 | 0 | 107.7 | S653 V654 C657 V665 V667 V685 V690 E703 A704 L719 | S653-I688 CarbonylContact C-O 3.43Å; S653-I688 VanDerWaalsContact CA-O 3.3Å; S653-I688 WeakPolarHBondContact CA-O 3.21Å; V654-I688 HydrophobicContact CG2-CB 3.85Å; V654-I688 HydrophobicContact CG2-CG2 3.69Å; V654-I688 PolarHBondContact N-O 2.88Å; V654-I688 WeakPolarHBondContact O-CB 3.5Å; C657-I688 HydrophobicContact CB-CD1 4.39Å; C657-I688 HydrophobicContact CB-CG2 3.94Å; V665-I688 HydrophobicContact CG1-CD1 4.3Å; V667-I688 HydrophobicContact CG2-CD1 4.2Å; V667-I688 HydrophobicContact CG2-CG1 4.42Å; V685-I688 HydrophobicContact CG1-CD1 4.29Å; V685-I688 HydrophobicContact CG1-CG1 3.85Å; I688-V690 HydrophobicContact CG2-CG2 4.45Å; I688-E703 CarbonylContact C-O 3.6Å; I688-E703 WeakPolarHBondContact CA-O 3.32Å; I688-A704 HydrophobicContact CG1-CB 4.38Å; I688-L719 HydrophobicContact CG2-CD2 4.45Å |
| 689 | T | 93.4 | Very high | 87.3 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.6 | 178 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | K652 E703 | K652-T689 WeakPolarHBondContact O-CA 3.27Å; T689-E703 PolarHBondContact N-O 3.46Å; T689-E703 PolarHBondContact O-N 2.9Å |
| 690 | V | 91.8 | Very high | 86.5 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.4 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | K652 V654 I688 R692 A699 Q702 | K652-V690 PolarHBondContact N-O 2.73Å; K652-V690 PolarHBondContact O-N 3.36Å; V654-V690 HydrophobicContact CG2-CG2 3.89Å; I688-V690 HydrophobicContact CG2-CG2 4.45Å; V690-R692 HydrophobicContact CG1-CG 4.27Å; V690-A699 HydrophobicContact CG1-CB 4.1Å; V690-Q702 HydrophobicContact CG1-CG 4.19Å; V690-Q702 HydrophobicContact CG2-CG 4.26Å |
| 691 | A | 88.6 | Confident | 86 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | V649 F650 S651 A699 V700 R701 | V649-A691 HydrophobicContact CG1-CB 3.91Å; F650-A691 WeakPolarHBondContact O-CA 3.44Å; S651-A691 WeakPolarHBondContact OG-CB 3.46Å; A691-A699 CarbonylContact O-C 3.59Å; A691-A699 WeakPolarHBondContact O-CA 3.2Å; A691-V700 PolarHBondContact O-N 2.94Å; A691-R701 HydrophobicContact CB-CB 4.15Å; A691-R701 PolarHBondContact N-O 2.99Å; A691-R701 PolarHBondContact O-N 3.43Å |
| 692 | R | 86.3 | Confident | 85.8 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.3 | 175 | -70 | -179.9 | 178 | 85.3 | -6.8 | 111 | V649 F650 V690 G697 L698 A699 | V649-R692 CarbonylContact C-O 3.59Å; V649-R692 WeakPolarHBondContact CA-O 3.4Å; F650-R692 PolarHBondContact N-O 3.49Å; F650-R692 PolarHBondContact O-N 3.26Å; V690-R692 HydrophobicContact CG1-CG 4.27Å; R692-G697 WeakPolarHBondContact CD-O 3.42Å; R692-G697 WeakPolarHBondContact CG-O 3.43Å; R692-L698 CarbonylContact C-O 3.41Å; R692-L698 VanDerWaalsContact CA-O 3.26Å; R692-L698 WeakPolarHBondContact CA-O 3.26Å; R692-A699 HydrophobicContact CG-CB 4.49Å |
| 693 | R | 84.4 | Confident | 85.6 | Confident | 103 Ų | 103 | 59 Ų | 59 | 39% | 0.389 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.4 | 172.2 | -136.9 | 180 | -157.4 | -117.2 | 5.6 | 108.8 | S647 V649 D695 T696 G697 L698 V700 | S647-R693 VanDerWaalsContact CB-CZ 3.49Å; S647-R693 VanDerWaalsContact CB-NH1 3.32Å; S647-R693 PolarHBondContact OG-NE 3.09Å; S647-R693 PolarHBondContact OG-NH1 2.86Å; S647-R693 PolarHBondContact OG-NH2 3.05Å; S647-R693 VanDerWaalsContact OG-NH2 3.16Å; V649-R693 HydrophobicContact CG2-CG 4.46Å; R693-D695 WeakPolarHBondContact CB-OD1 3.1Å; R693-D695 WeakPolarHBondContact CD-OD1 3.4Å; R693-D695 WeakPolarHBondContact CD-OD2 2.98Å; R693-D695 WeakPolarHBondContact CG-OD1 3.33Å; R693-D695 IonicContact CZ-OD2 2.7Å; R693-D695 IonicContact NE-OD2 2.98Å; R693-D695 IonicContact NH1-OD2 3.44Å; R693-D695 PolarHBondContact NH1-OD2 2.88Å; R693-D695 PolarHBondContact O-N 2.74Å; R693-T696 PolarHBondContact O-N 3.01Å; R693-G697 WeakPolarHBondContact O-CA 3.39Å; R693-G697 PolarHBondContact O-N 3.15Å; R693-L698 PolarHBondContact N-O 3.36Å; R693-V700 HydrophobicContact CB-CG2 3.63Å; R693-V700 HydrophobicContact CG-CG2 3.98Å |
| 694 | G | 73.8 | Confident | 85.5 | Confident | 63 Ų | 63 | 59 Ų | 59 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | S648 | S648-G694 PolarHBondContact O-N 3.11Š|
| 695 | D | 73.4 | Confident | 85.5 | Confident | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -29.7 | 178 | 54.5 | 7.2 | 0 | 0 | 0 | 113.8 | S647 R693 | S647-D695 WeakPolarHBondContact CB-OD2 3.42Å; R693-D695 WeakPolarHBondContact CB-OD1 3.1Å; R693-D695 WeakPolarHBondContact CD-OD1 3.4Å; R693-D695 WeakPolarHBondContact CD-OD2 2.98Å; R693-D695 WeakPolarHBondContact CG-OD1 3.33Å; R693-D695 IonicContact CZ-OD2 2.7Å; R693-D695 IonicContact NE-OD2 2.98Å; R693-D695 IonicContact NH1-OD2 3.44Å; R693-D695 PolarHBondContact NH1-OD2 2.88Å; R693-D695 PolarHBondContact O-N 2.74Å |
| 696 | T | 71.1 | Confident | 85.6 | Confident | 80 Ų | 80 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | -7.2 | -165.7 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | R693 L698 | R693-T696 PolarHBondContact O-N 3.01Å; T696-L698 PolarHBondContact O-N 3.34Å |
| 697 | G | 65.2 | Low | 85.7 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 49% | 0.485 | 33% | 0.325 | S | S | . | . | trans | 68.5 | -11.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R692 R693 | R692-G697 WeakPolarHBondContact CD-O 3.42Å; R692-G697 WeakPolarHBondContact CG-O 3.43Å; R693-G697 WeakPolarHBondContact O-CA 3.39Å; R693-G697 PolarHBondContact O-N 3.15Å | ||
| 698 | L | 72.9 | Confident | 85.9 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | trans | -63.7 | 139.1 | -176.3 | -65.1 | 176.8 | 0 | 0 | 0 | 111.7 | R692 R693 T696 V700 | R692-L698 CarbonylContact C-O 3.41Å; R692-L698 VanDerWaalsContact CA-O 3.26Å; R692-L698 WeakPolarHBondContact CA-O 3.26Å; R693-L698 PolarHBondContact N-O 3.36Å; T696-L698 PolarHBondContact O-N 3.34Å; L698-V700 PolarHBondContact O-N 3.28Å | ||
| 699 | A | 71.3 | Confident | 86 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 106 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V690 A691 R692 Q702 | V690-A699 HydrophobicContact CG1-CB 4.1Å; A691-A699 CarbonylContact O-C 3.59Å; A691-A699 WeakPolarHBondContact O-CA 3.2Å; R692-A699 HydrophobicContact CG-CB 4.49Å; A699-Q702 HydrophobicContact CB-CG 4.02Å |
| 700 | V | 77.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -38.1 | -179.1 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | A691 R693 L698 | A691-V700 PolarHBondContact O-N 2.94Å; R693-V700 HydrophobicContact CB-CG2 3.63Å; R693-V700 HydrophobicContact CG-CG2 3.98Å; L698-V700 PolarHBondContact O-N 3.28Å |
| 701 | R | 84.7 | Confident | 86.2 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 58% | 0.581 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 139.3 | 176.2 | -61 | 175.7 | 71.7 | 148.1 | -7.2 | 110.1 | A691 E703 | A691-R701 HydrophobicContact CB-CB 4.15Å; A691-R701 PolarHBondContact N-O 2.99Å; A691-R701 PolarHBondContact O-N 3.43Å; R701-E703 IonicContact CZ-OE1 2.74Å; R701-E703 IonicContact NE-OE1 3.76Å; R701-E703 PolarHBondContact NE-OE1 3.07Å; R701-E703 IonicContact NH2-OE1 2.88Å; R701-E703 PolarHBondContact NH2-OE1 2.97Å; R701-E703 IonicContact NH2-OE2 3.56Å |
| 702 | Q | 92.6 | Very high | 86.4 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 110.8 | 172.9 | -63.8 | -175.1 | -12.4 | 0 | 0 | 108.1 | V690 A699 P718 L719 | V690-Q702 HydrophobicContact CG1-CG 4.19Å; V690-Q702 HydrophobicContact CG2-CG 4.26Å; A699-Q702 HydrophobicContact CB-CG 4.02Å; Q702-P718 WeakPolarHBondContact O-CA 3.17Å; Q702-L719 HydrophobicContact CB-CD1 3.72Å; Q702-L719 HydrophobicContact CB-CG 4.01Å; Q702-L719 PolarHBondContact O-N 2.89Å |
| 703 | E | 94.7 | Very high | 86.8 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.1 | -172 | -72 | 177 | -145.2 | 0 | 0 | 111.2 | I688 T689 R701 L717 | I688-E703 CarbonylContact C-O 3.6Å; I688-E703 WeakPolarHBondContact CA-O 3.32Å; T689-E703 PolarHBondContact N-O 3.46Å; T689-E703 PolarHBondContact O-N 2.9Å; R701-E703 IonicContact CZ-OE1 2.74Å; R701-E703 IonicContact NE-OE1 3.76Å; R701-E703 PolarHBondContact NE-OE1 3.07Å; R701-E703 IonicContact NH2-OE1 2.88Å; R701-E703 PolarHBondContact NH2-OE1 2.97Å; R701-E703 IonicContact NH2-OE2 3.56Å; E703-L717 CarbonylContact C-O 3.59Å; E703-L717 VanDerWaalsContact CA-O 3.3Å; E703-L717 WeakPolarHBondContact CA-O 3.12Å |
| 704 | A | 96.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V685 G687 I688 V706 F716 L717 L719 L722 | V685-A704 HydrophobicContact CG1-CB 4.44Å; G687-A704 CarbonylContact O-C 3.49Å; G687-A704 WeakPolarHBondContact O-CA 3.42Å; I688-A704 HydrophobicContact CG1-CB 4.38Å; A704-V706 HydrophobicContact CB-CG1 4.23Å; A704-F716 WeakPolarHBondContact O-CA 3.4Å; A704-L717 PolarHBondContact N-O 3.11Å; A704-L717 PolarHBondContact O-N 3.45Å; A704-L719 HydrophobicContact CB-CD2 3.9Å; A704-L722 HydrophobicContact CB-CD1 3.62Å |
| 705 | R | 97.2 | Very high | 88.6 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.1 | 165 | -171.7 | -177.5 | 179.7 | -174.2 | -0.1 | 107.5 | L686 G687 F716 | L686-R705 HydrophobicContact CB-CB 4.48Å; L686-R705 HydrophobicContact CB-CG 4.33Å; L686-R705 HydrophobicContact CD1-CG 4.39Å; L686-R705 PolarHBondContact N-O 3.35Å; G687-R705 PolarHBondContact N-O 2.99Å; G687-R705 PolarHBondContact O-N 3.49Å; R705-F716 HydrophobicContact CB-CD1 3.84Å; R705-F716 HydrophobicContact CB-CE1 3.67Å; R705-F716 HydrophobicContact CB-CZ 4.34Å; R705-F716 HydrophobicContact CG-CD1 4.16Å; R705-F716 HydrophobicContact CG-CE1 3.73Å; R705-F716 HydrophobicContact CG-CE2 4.41Å; R705-F716 HydrophobicContact CG-CZ 3.87Å |
| 706 | V | 98 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.4 | -179.9 | -55 | 0 | 0 | 0 | 0 | 112.3 | A673 A683 R684 V685 A704 W708 T714 S715 L717 L722 | A673-V706 HydrophobicContact CB-CG2 4.46Å; A683-V706 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CG2 3.96Å; R684-V706 CarbonylContact O-C 3.54Å; R684-V706 WeakPolarHBondContact O-CA 3.49Å; R684-V706 WeakPolarHBondContact O-CB 3.3Å; V685-V706 HydrophobicContact CG2-CG1 4.34Å; A704-V706 HydrophobicContact CB-CG1 4.23Å; V706-W708 HydrophobicContact CG2-CZ2 4.43Å; V706-T714 CarbonylContact O-C 3.42Å; V706-T714 WeakPolarHBondContact O-CA 3.46Å; V706-T714 WeakPolarHBondContact O-CB 3.44Å; V706-S715 PolarHBondContact N-O 3.27Å; V706-S715 PolarHBondContact O-N 3.49Å; V706-L717 HydrophobicContact CG2-CD1 3.64Å; V706-L717 HydrophobicContact CG2-CG 4.25Å; V706-L722 HydrophobicContact CG1-CD1 4.42Å; V706-L722 HydrophobicContact CG1-CD2 4.11Å |
| 707 | S | 98.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.8 | 169.5 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | A683 R684 | A683-S707 CarbonylContact C-O 3.56Å; A683-S707 WeakPolarHBondContact CA-O 3.17Å; A683-S707 VanDerWaalsContact CB-O 3.28Å; A683-S707 WeakPolarHBondContact CB-O 3.45Å; R684-S707 PolarHBondContact N-O 3.37Å; R684-S707 PolarHBondContact O-N 2.87Å |
| 708 | W | 97.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 60 Ų | 60 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.2 | -174.1 | -62 | 92.9 | 0 | 0 | 0 | 111.6 | A673 I675 W681 A683 V706 G710 S711 T713 S715 L717 | A673-W708 HydrophobicContact CB-CE3 4.3Å; A673-W708 HydrophobicContact CB-CH2 3.4Å; A673-W708 HydrophobicContact CB-CZ2 4.26Å; A673-W708 HydrophobicContact CB-CZ3 3.41Å; A673-W708 VanDerWaalsContact CB-CZ3 3.41Å; I675-W708 HydrophobicContact CB-CZ2 4.45Å; I675-W708 HydrophobicContact CD1-CH2 4.41Å; I675-W708 HydrophobicContact CD1-CZ2 4.01Å; I675-W708 HydrophobicContact CG1-CH2 4.03Å; I675-W708 HydrophobicContact CG1-CZ2 4.03Å; I675-W708 HydrophobicContact CG2-CH2 4.09Å; I675-W708 HydrophobicContact CG2-CZ2 3.68Å; W681-W708 HydrophobicContact CB-CE3 3.87Å; W681-W708 HydrophobicContact CB-CZ3 3.78Å; W681-W708 AromaticContact CD1-CE3 3.9Å; W681-W708 HydrophobicContact CG-CE3 4.18Å; A683-W708 HydrophobicContact CB-CD2 4.34Å; A683-W708 HydrophobicContact CB-CE3 4.01Å; A683-W708 HydrophobicContact CB-CZ3 4.46Å; V706-W708 HydrophobicContact CG2-CZ2 4.43Å; W708-G710 PolarHBondContact O-N 2.87Å; W708-S711 PolarHBondContact O-N 3.12Å; W708-S711 VanDerWaalsContact O-N 3.12Å; W708-T713 VanDerWaalsContact CD1-O 3.3Å; W708-T713 PolarHBondContact N-O 3.12Å; W708-S715 WeakPolarHBondContact CZ2-OG 3.28Å; W708-S715 PolarHBondContact NE1-OG 3.17Å; W708-L717 HydrophobicContact CH2-CD1 4.08Å; W708-L717 HydrophobicContact CZ2-CD1 3.93Å |
| 709 | F | 97.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 140.2 | 175.7 | -75.9 | -82.4 | 0 | 0 | 0 | 110.8 | I670 W681 P682 R684 S711 A744 E747 A748 A751 | I670-F709 HydrophobicContact CD1-CE2 3.91Å; I670-F709 HydrophobicContact CD1-CZ 3.69Å; I670-F709 HydrophobicContact CG2-CE2 3.91Å; W681-F709 PolarHBondContact NE1-O 2.78Å; P682-F709 HydrophobicContact CB-CB 4.42Å; P682-F709 HydrophobicContact CB-CD2 4.1Å; P682-F709 HydrophobicContact CG-CB 4.17Å; P682-F709 PolarHBondContact O-N 2.98Å; R684-F709 HydrophobicContact CB-CE2 3.84Å; R684-F709 HydrophobicContact CB-CZ 3.98Å; F709-S711 VanDerWaalsContact C-N 3.27Å; F709-S711 PolarHBondContact O-N 2.83Å; F709-A744 HydrophobicContact CB-CB 3.95Å; F709-A744 WeakPolarHBondContact CB-O 3.34Å; F709-A744 WeakPolarHBondContact O-CB 3.5Å; F709-E747 HydrophobicContact CD1-CB 3.98Å; F709-E747 HydrophobicContact CD1-CG 3.67Å; F709-E747 HydrophobicContact CE1-CG 4.23Å; F709-A748 HydrophobicContact CB-CB 4.35Å; F709-A748 HydrophobicContact CD1-CB 4.26Å; F709-A748 HydrophobicContact CD2-CB 3.67Å; F709-A748 HydrophobicContact CE2-CB 3.98Å; F709-A748 HydrophobicContact CG-CB 3.82Å; F709-A748 HydrophobicContact CZ-CB 4.39Å; F709-A751 HydrophobicContact CE1-CB 3.8Å; F709-A751 HydrophobicContact CZ-CB 3.69Å |
| 710 | G | 94.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 15.9 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | W708 E747 | W708-G710 PolarHBondContact O-N 2.87Å; G710-E747 PolarHBondContact N-OE2 2.97Å |
| 711 | S | 93.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -146.7 | 141.9 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | W708 F709 T713 | W708-S711 PolarHBondContact O-N 3.12Å; W708-S711 VanDerWaalsContact O-N 3.12Å; F709-S711 VanDerWaalsContact C-N 3.27Å; F709-S711 PolarHBondContact O-N 2.83Å; S711-T713 PolarHBondContact O-N 3.35Å; S711-T713 VanDerWaalsContact O-N 3.17Å; S711-T713 PolarHBondContact OG-N 2.93Å; S711-T713 PolarHBondContact OG-OG1 2.83Å |
| 712 | P | 93.3 | Very high | 95.6 | Very high | 134 Ų | 134 | 48.7 Ų | 48.7 | 87% | 0.87 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -73.6 | 0.9 | 174.9 | 32.4 | -37.3 | 0 | 0 | 0 | 113.8 | ||
| 713 | T | 95.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | trans | -72.3 | 141.3 | -178.6 | -45.5 | 0 | 0 | 0 | 0 | 111.7 | W708 S711 | W708-T713 VanDerWaalsContact CD1-O 3.3Å; W708-T713 PolarHBondContact N-O 3.12Å; S711-T713 PolarHBondContact O-N 3.35Å; S711-T713 VanDerWaalsContact O-N 3.17Å; S711-T713 PolarHBondContact OG-N 2.93Å; S711-T713 PolarHBondContact OG-OG1 2.83Å | ||
| 714 | T | 96.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 154.5 | 160.4 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | L686 V706 | L686-T714 HydrophobicContact CD1-CG2 3.76Å; V706-T714 CarbonylContact O-C 3.42Å; V706-T714 WeakPolarHBondContact O-CA 3.46Å; V706-T714 WeakPolarHBondContact O-CB 3.44Å |
| 715 | S | 97.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 149.8 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | V706 W708 | V706-S715 PolarHBondContact N-O 3.27Å; V706-S715 PolarHBondContact O-N 3.49Å; W708-S715 WeakPolarHBondContact CZ2-OG 3.28Å; W708-S715 PolarHBondContact NE1-OG 3.17Å |
| 716 | F | 96.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 43.7 Ų | 43.7 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130 | 169.4 | -61.3 | -94 | 0 | 0 | 0 | 109.2 | A704 R705 | A704-F716 WeakPolarHBondContact O-CA 3.4Å; R705-F716 HydrophobicContact CB-CD1 3.84Å; R705-F716 HydrophobicContact CB-CE1 3.67Å; R705-F716 HydrophobicContact CB-CZ 4.34Å; R705-F716 HydrophobicContact CG-CD1 4.16Å; R705-F716 HydrophobicContact CG-CE1 3.73Å; R705-F716 HydrophobicContact CG-CE2 4.41Å; R705-F716 HydrophobicContact CG-CZ 3.87Å |
| 717 | L | 96.2 | Very high | 95 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.7 | -174.8 | -56.2 | 176.4 | 0 | 0 | 0 | 110.5 | A673 I675 E703 A704 V706 W708 Q721 L722 | A673-L717 HydrophobicContact CB-CD1 3.66Å; I675-L717 HydrophobicContact CG2-CD2 3.34Å; E703-L717 CarbonylContact C-O 3.59Å; E703-L717 VanDerWaalsContact CA-O 3.3Å; E703-L717 WeakPolarHBondContact CA-O 3.12Å; A704-L717 PolarHBondContact N-O 3.11Å; A704-L717 PolarHBondContact O-N 3.45Å; V706-L717 HydrophobicContact CG2-CD1 3.64Å; V706-L717 HydrophobicContact CG2-CG 4.25Å; W708-L717 HydrophobicContact CH2-CD1 4.08Å; W708-L717 HydrophobicContact CZ2-CD1 3.93Å; L717-Q721 HydrophobicContact CB-CB 4.38Å; L717-L722 HydrophobicContact CD1-CD2 4Å |
| 718 | P | 94.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 145.5 | 167 | -23.2 | 33.7 | 0 | 0 | 0 | 111.1 | Q702 A720 Q721 | Q702-P718 WeakPolarHBondContact O-CA 3.17Å; P718-A720 PolarHBondContact O-N 3.01Å; P718-Q721 WeakPolarHBondContact O-CB 3.49Å; P718-Q721 PolarHBondContact O-N 2.84Å |
| 719 | L | 93.2 | Very high | 94.3 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -57.5 | -27.8 | -178.8 | -59.8 | -178.3 | 0 | 0 | 0 | 113.4 | C657 L658 I688 Q702 A704 Q721 L722 | C657-L719 HydrophobicContact CB-CD1 3.95Å; C657-L719 WeakPolarHBondContact SG-CD1 3.46Å; L658-L719 WeakPolarHBondContact O-CD1 3.47Å; I688-L719 HydrophobicContact CG2-CD2 4.45Å; Q702-L719 HydrophobicContact CB-CD1 3.72Å; Q702-L719 HydrophobicContact CB-CG 4.01Å; Q702-L719 PolarHBondContact O-N 2.89Å; A704-L719 HydrophobicContact CB-CD2 3.9Å; L719-Q721 PolarHBondContact O-N 3.07Å; L719-L722 HydrophobicContact CD2-CD1 4.33Å; L719-L722 WeakPolarHBondContact O-CB 3.32Å; L719-L722 PolarHBondContact O-N 2.74Å |
| 720 | A | 92.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -63.6 | -13.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | P660 P718 | P660-A720 HydrophobicContact CG-CB 3.97Å; P718-A720 PolarHBondContact O-N 3.01Å |
| 721 | Q | 95.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -97.2 | 3 | 173.5 | -63.5 | -177.8 | 6.4 | 0 | 0 | 112.7 | A673 K674 W680 L717 P718 L719 | A673-Q721 CarbonylContact C-O 3.41Å; A673-Q721 WeakPolarHBondContact CA-O 3.21Å; K674-Q721 PolarHBondContact N-O 3.42Å; K674-Q721 PolarHBondContact O-OE1 2.75Å; W680-Q721 WeakPolarHBondContact CZ3-O 3.41Å; L717-Q721 HydrophobicContact CB-CB 4.38Å; P718-Q721 WeakPolarHBondContact O-CB 3.49Å; P718-Q721 PolarHBondContact O-N 2.84Å; L719-Q721 PolarHBondContact O-N 3.07Å |
| 722 | L | 95.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 160 | 172.1 | -58.3 | -167.4 | 0 | 0 | 0 | 111.5 | L659 V671 W672 A673 V685 A704 V706 L717 L719 | L659-L722 HydrophobicContact CD2-CB 4.11Å; L659-L722 HydrophobicContact CG-CB 4.48Å; V671-L722 HydrophobicContact CG2-CD1 4.28Å; V671-L722 HydrophobicContact CG2-CD2 4.01Å; W672-L722 CarbonylContact O-C 3.51Å; W672-L722 WeakPolarHBondContact O-CA 3.48Å; A673-L722 HydrophobicContact CB-CD2 3.67Å; V685-L722 HydrophobicContact CG2-CD1 4.37Å; A704-L722 HydrophobicContact CB-CD1 3.62Å; V706-L722 HydrophobicContact CG1-CD1 4.42Å; V706-L722 HydrophobicContact CG1-CD2 4.11Å; L717-L722 HydrophobicContact CD1-CD2 4Å; L719-L722 HydrophobicContact CD2-CD1 4.33Å; L719-L722 WeakPolarHBondContact O-CB 3.32Å; L719-L722 PolarHBondContact O-N 2.74Å |
| 723 | S | 95.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 138.1 | 171.5 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | V671 W672 F725 T728 | V671-S723 CarbonylContact C-O 3.49Å; V671-S723 WeakPolarHBondContact CA-O 3.13Å; W672-S723 PolarHBondContact N-O 2.85Å; W672-S723 PolarHBondContact O-N 2.97Å; S723-F725 PolarHBondContact O-N 3.35Å; S723-T728 WeakPolarHBondContact OG-CG2 3.46Å |
| 724 | P | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.1 | -172.8 | -28.9 | 39.5 | 0 | 0 | 0 | 113.6 | L659 R663 E727 T728 | L659-P724 HydrophobicContact CD2-CG 4.31Å; R663-P724 HydrophobicContact CB-CG 4.19Å; P724-E727 WeakPolarHBondContact CB-OE1 3.16Å; P724-E727 WeakPolarHBondContact CB-OE2 3.36Å; P724-T728 PolarHBondContact O-N 3.02Å; P724-T728 PolarHBondContact O-OG1 3.25Å |
| 725 | F | 95 | Very high | 93.1 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -46.2 | -167.1 | 177.6 | -111.4 | 0 | 0 | 0 | 113.9 | I670 W672 P682 S723 F729 I745 A748 A749 A752 | I670-F725 VanDerWaalsContact C-CB 3.48Å; I670-F725 HydrophobicContact CB-CB 3.96Å; I670-F725 HydrophobicContact CB-CD1 4.31Å; I670-F725 HydrophobicContact CB-CG 4.31Å; I670-F725 HydrophobicContact CG2-CB 3.65Å; I670-F725 HydrophobicContact CG2-CD1 3.65Å; I670-F725 HydrophobicContact CG2-CD2 4.17Å; I670-F725 HydrophobicContact CG2-CE1 4.31Å; I670-F725 HydrophobicContact CG2-CG 3.56Å; I670-F725 WeakPolarHBondContact O-CB 3.39Å; I670-F725 PolarHBondContact O-N 2.85Å; I670-F725 VanDerWaalsContact O-N 3.14Å; W672-F725 VanDerWaalsContact CD1-CA 3.49Å; W672-F725 HydrophobicContact CD2-CD2 4.06Å; W672-F725 HydrophobicContact CD2-CE2 4.45Å; W672-F725 AromaticContact CE2-CD2 3.58Å; W672-F725 AromaticContact CE2-CE2 3.82Å; W672-F725 HydrophobicContact CG-CD2 4.32Å; W672-F725 HydrophobicContact CH2-CE2 4.33Å; W672-F725 HydrophobicContact CZ2-CD2 4.03Å; W672-F725 AromaticContact CZ2-CE2 3.76Å; W672-F725 HydrophobicContact CZ2-CE2 3.76Å; W672-F725 AromaticContact NE1-CD2 3.49Å; W672-F725 PolarHBondContact NE1-O 3.28Å; P682-F725 HydrophobicContact CB-CD2 4.15Å; P682-F725 HydrophobicContact CB-CE2 3.84Å; S723-F725 PolarHBondContact O-N 3.35Å; F725-F729 HydrophobicContact CE1-CD2 4.13Å; F725-F729 HydrophobicContact CE1-CE2 4.31Å; F725-F729 AromaticContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CE2 4.05Å; F725-F729 AromaticContact CZ-CD2 3.7Å; F725-F729 HydrophobicContact CZ-CD2 3.7Å; F725-F729 AromaticContact CZ-CE2 3.63Å; F725-F729 HydrophobicContact CZ-CE2 3.63Å; F725-F729 WeakPolarHBondContact O-CA 3.35Å; F725-F729 WeakPolarHBondContact O-CB 3.45Å; F725-F729 PolarHBondContact O-N 3.16Å; F725-I745 HydrophobicContact CE2-CD1 4.2Å; F725-A748 HydrophobicContact CE1-CB 4.09Å; F725-A748 HydrophobicContact CE2-CB 4.04Å; F725-A748 HydrophobicContact CZ-CB 3.69Å; F725-A749 HydrophobicContact CE1-CB 4.34Å; F725-A752 HydrophobicContact CD1-CB 4.05Å; F725-A752 HydrophobicContact CE1-CB 4.36Å |
| 726 | L | 91.7 | Very high | 92.8 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 58% | 0.576 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -52 | -171.4 | -67.1 | 177.6 | 0 | 0 | 0 | 111.6 | T728 F729 A752 | L726-T728 VanDerWaalsContact C-N 3.33Å; L726-T728 PolarHBondContact O-N 3.06Å; L726-F729 VanDerWaalsContact O-CB 3.23Å; L726-F729 WeakPolarHBondContact O-CB 3.27Å; L726-F729 PolarHBondContact O-N 3.46Å; L726-A752 HydrophobicContact CD1-CB 4.34Å; L726-A752 HydrophobicContact CD2-CB 3.93Å; L726-A752 HydrophobicContact CG-CB 4.23Å |
| 727 | E | 90.1 | Very high | 92.7 | Very high | 113 Ų | 113 | 68.7 Ų | 68.7 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.2 | -174.7 | -45.2 | 96.9 | -89.7 | 0 | 0 | 112.7 | R663 P724 | R663-E727 IonicContact CZ-OE2 3.13Å; R663-E727 IonicContact NH1-OE2 2.69Å; R663-E727 PolarHBondContact NH1-OE2 2.89Å; P724-E727 WeakPolarHBondContact CB-OE1 3.16Å; P724-E727 WeakPolarHBondContact CB-OE2 3.36Å |
| 728 | T | 88.1 | Confident | 92.5 | Very high | 22 Ų | 22 | 76.6 Ų | 76.6 | 14% | 0.135 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.4 | 179.5 | 72 | 0 | 0 | 0 | 0 | 113.7 | S723 P724 L726 Q730 S731 R732 | S723-T728 WeakPolarHBondContact OG-CG2 3.46Å; P724-T728 PolarHBondContact O-N 3.02Å; P724-T728 PolarHBondContact O-OG1 3.25Å; L726-T728 VanDerWaalsContact C-N 3.33Å; L726-T728 PolarHBondContact O-N 3.06Å; T728-Q730 VanDerWaalsContact C-N 3.32Å; T728-Q730 PolarHBondContact O-N 3.22Å; T728-S731 PolarHBondContact O-N 2.71Å; T728-R732 PolarHBondContact O-N 2.77Å |
| 729 | F | 92.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 76 Ų | 76 | 25% | 0.254 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -49.7 | -47.8 | -176.5 | -171.9 | -93.9 | 0 | 0 | 0 | 113.1 | W672 F725 L726 S731 R732 F733 I745 | W672-F729 AromaticContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CE2 4.27Å; W672-F729 HydrophobicContact CZ2-CG 4.49Å; F725-F729 HydrophobicContact CE1-CD2 4.13Å; F725-F729 HydrophobicContact CE1-CE2 4.31Å; F725-F729 AromaticContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CE2 4.05Å; F725-F729 AromaticContact CZ-CD2 3.7Å; F725-F729 HydrophobicContact CZ-CD2 3.7Å; F725-F729 AromaticContact CZ-CE2 3.63Å; F725-F729 HydrophobicContact CZ-CE2 3.63Å; F725-F729 WeakPolarHBondContact O-CA 3.35Å; F725-F729 WeakPolarHBondContact O-CB 3.45Å; F725-F729 PolarHBondContact O-N 3.16Å; L726-F729 VanDerWaalsContact O-CB 3.23Å; L726-F729 WeakPolarHBondContact O-CB 3.27Å; L726-F729 PolarHBondContact O-N 3.46Å; F729-S731 VanDerWaalsContact C-N 3.26Å; F729-S731 PolarHBondContact O-N 2.9Å; F729-R732 PolarHBondContact O-N 3.34Å; F729-F733 HydrophobicContact CD1-CB 4.29Å; F729-F733 HydrophobicContact CE1-CB 4.05Å; F729-F733 AromaticContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CG 4Å; F729-F733 HydrophobicContact CE2-CB 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.15Å; F729-F733 HydrophobicContact CZ-CD1 4.03Å; F729-F733 HydrophobicContact CZ-CD2 4.31Å; F729-F733 AromaticContact CZ-CG 3.9Å; F729-F733 HydrophobicContact CZ-CG 3.9Å; F729-F733 WeakPolarHBondContact O-CB 3.49Å; F729-F733 PolarHBondContact O-N 2.89Å; F729-I745 HydrophobicContact CE2-CG2 3.96Å; F729-I745 HydrophobicContact CZ-CG2 3.99Å |
| 730 | Q | 90.1 | Very high | 92.4 | Very high | 185 Ų | 185 | 79.8 Ų | 79.8 | 86% | 0.864 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.4 | -28.8 | -176.9 | -58.2 | -165.9 | 29.4 | 0 | 0 | 113.4 | T728 | T728-Q730 VanDerWaalsContact C-N 3.32Å; T728-Q730 PolarHBondContact O-N 3.22Å |
| 731 | S | 90.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 76.5 Ų | 76.5 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84.6 | -37.8 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | T728 F729 | T728-S731 PolarHBondContact O-N 2.71Å; F729-S731 VanDerWaalsContact C-N 3.26Å; F729-S731 PolarHBondContact O-N 2.9Å |
| 732 | R | 90.3 | Very high | 92.6 | Very high | 83 Ų | 83 | 79 Ų | 79 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -92.7 | -18 | -174.9 | -57.9 | -54.1 | -165.8 | -156.9 | 2.2 | 114.3 | W672 W680 T728 F729 D734 Y741 | W672-R732 HydrophobicContact CB-CG 4.41Å; W672-R732 HydrophobicContact CD2-CB 3.47Å; W672-R732 VanDerWaalsContact CD2-CB 3.47Å; W672-R732 HydrophobicContact CD2-CG 4.1Å; W672-R732 VanDerWaalsContact CE2-CB 3.45Å; W672-R732 HydrophobicContact CE3-CB 3.84Å; W672-R732 HydrophobicContact CG-CB 3.86Å; W672-R732 HydrophobicContact CG-CG 3.92Å; W672-R732 HydrophobicContact CH2-CB 4.03Å; W672-R732 HydrophobicContact CZ2-CB 3.75Å; W672-R732 HydrophobicContact CZ3-CB 4.09Å; W680-R732 HydrophobicContact CB-CB 4.38Å; W680-R732 HydrophobicContact CG-CG 4.49Å; W680-R732 VanDerWaalsContact CZ2-NH2 3.33Å; T728-R732 PolarHBondContact O-N 2.77Å; F729-R732 PolarHBondContact O-N 3.34Å; R732-D734 PolarHBondContact O-N 2.91Å; R732-Y741 PolarHBondContact O-OH 3.12Å |
| 733 | F | 93 | Very high | 92.6 | Very high | 43 Ų | 43 | 87.7 Ų | 87.7 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | trans | -77.9 | 104.7 | -178.1 | 178.1 | -128.4 | 0 | 0 | 0 | 113.7 | W672 F729 K735 Y741 I745 | W672-F733 HydrophobicContact CH2-CB 4.12Å; W672-F733 HydrophobicContact CZ2-CB 4.24Å; F729-F733 HydrophobicContact CD1-CB 4.29Å; F729-F733 HydrophobicContact CE1-CB 4.05Å; F729-F733 AromaticContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CG 4Å; F729-F733 HydrophobicContact CE2-CB 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.15Å; F729-F733 HydrophobicContact CZ-CD1 4.03Å; F729-F733 HydrophobicContact CZ-CD2 4.31Å; F729-F733 AromaticContact CZ-CG 3.9Å; F729-F733 HydrophobicContact CZ-CG 3.9Å; F729-F733 WeakPolarHBondContact O-CB 3.49Å; F729-F733 PolarHBondContact O-N 2.89Å; F733-K735 HydrophobicContact CD1-CG 3.75Å; F733-K735 HydrophobicContact CE1-CB 4.45Å; F733-K735 HydrophobicContact CE1-CG 3.68Å; F733-K735 PolarHBondContact O-N 2.86Å; F733-Y741 AromaticContact CD2-CE1 3.87Å; F733-Y741 HydrophobicContact CD2-CE1 3.87Å; F733-Y741 AromaticContact CE2-CE1 3.91Å; F733-Y741 HydrophobicContact CE2-CE1 3.91Å; F733-I745 HydrophobicContact CD2-CD1 4.07Å; F733-I745 HydrophobicContact CD2-CG1 4.1Å; F733-I745 HydrophobicContact CD2-CG2 4.08Å; F733-I745 HydrophobicContact CE2-CB 4.4Å; F733-I745 HydrophobicContact CE2-CG1 4.13Å; F733-I745 HydrophobicContact CE2-CG2 3.85Å | ||
| 734 | D | 90.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 87.3 Ų | 87.3 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | trans | -74.5 | 89.6 | 173.1 | -176.2 | -11.5 | 0 | 0 | 0 | 110.9 | R732 K736 R737 Y741 | R732-D734 PolarHBondContact O-N 2.91Å; D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.44Å; D734-K736 PolarHBondContact OD1-N 2.69Å; D734-R737 HydrophobicContact CB-CB 4.42Å; D734-R737 HydrophobicContact CB-CG 4.2Å; D734-R737 PolarHBondContact O-N 2.85Å; D734-R737 VanDerWaalsContact O-N 3.11Å; D734-R737 PolarHBondContact OD1-N 3.19Å; D734-R737 WeakPolarHBondContact OD2-CD 3.47Å; D734-R737 VanDerWaalsContact OD2-CG 3.27Å; D734-R737 WeakPolarHBondContact OD2-CG 3.32Å; D734-R737 IonicContact OD2-NE 2.69Å; D734-R737 PolarHBondContact OD2-NE 3.06Å; D734-Y741 HydrophobicContact CB-CE1 4.11Å; D734-Y741 PolarHBondContact N-OH 3.09Å; D734-Y741 WeakPolarHBondContact O-CE1 3.11Å | ||
| 735 | K | 91.6 | Very high | 92.8 | Very high | 153 Ų | 153 | 87.3 Ų | 87.3 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -25.6 | 176.5 | -66.4 | 176.6 | -178.2 | 176 | 0 | 113.5 | F733 R742 | F733-K735 HydrophobicContact CD1-CG 3.75Å; F733-K735 HydrophobicContact CE1-CB 4.45Å; F733-K735 HydrophobicContact CE1-CG 3.68Å; F733-K735 PolarHBondContact O-N 2.86Å; K735-R742 PolarHBondContact O-NH2 3.33Å |
| 736 | K | 91.8 | Very high | 92.9 | Very high | 189 Ų | 189 | 90.1 Ų | 90.1 | 82% | 0.822 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -26 | -176.6 | -57.5 | 175.8 | -178.9 | 175.2 | 0 | 112 | D734 | D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.44Å; D734-K736 PolarHBondContact OD1-N 2.69Å |
| 737 | R | 92.8 | Very high | 93.1 | Very high | 98 Ų | 98 | 89.2 Ų | 89.2 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -67.3 | 151.3 | 176.4 | -79.4 | 173.2 | -170.4 | -103.2 | -4.1 | 112.7 | D734 Y741 R742 | D734-R737 HydrophobicContact CB-CB 4.42Å; D734-R737 HydrophobicContact CB-CG 4.2Å; D734-R737 PolarHBondContact O-N 2.85Å; D734-R737 VanDerWaalsContact O-N 3.11Å; D734-R737 PolarHBondContact OD1-N 3.19Å; D734-R737 WeakPolarHBondContact OD2-CD 3.47Å; D734-R737 VanDerWaalsContact OD2-CG 3.27Å; D734-R737 WeakPolarHBondContact OD2-CG 3.32Å; D734-R737 IonicContact OD2-NE 2.69Å; D734-R737 PolarHBondContact OD2-NE 3.06Å; R737-Y741 HydrophobicContact CB-CD1 3.33Å; R737-Y741 HydrophobicContact CB-CE1 3.87Å; R737-Y741 HydrophobicContact CB-CG 3.9Å; R737-Y741 HydrophobicContact CG-CD1 4.26Å; R737-R742 WeakPolarHBondContact O-CG 3.45Å; R737-R742 PolarHBondContact O-NE 3.17Å | ||
| 738 | K | 93 | Very high | 93.4 | Very high | 170 Ų | 170 | 83.8 Ų | 83.8 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | trans | -139.6 | 179.9 | -177.3 | -62.4 | -176 | -178.3 | -179 | 0 | 109.4 | ||||
| 739 | G | 92.7 | Very high | 93.8 | Very high | 42 Ų | 42 | 84.2 Ų | 84.2 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -140 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y741 R742 R743 | G739-Y741 VanDerWaalsContact C-N 3.26Å; G739-Y741 PolarHBondContact O-N 3.14Å; G739-Y741 VanDerWaalsContact O-N 3.15Å; G739-R742 PolarHBondContact O-N 2.99Å; G739-R743 PolarHBondContact O-N 3.22Å |
| 740 | P | 93.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 84.2 Ų | 84.2 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -51 | -39.8 | -174.6 | -29.5 | 36 | 0 | 0 | 0 | 114.5 | W681 R742 R743 A744 | W681-P740 HydrophobicContact CH2-CB 4.34Å; P740-R742 VanDerWaalsContact C-N 3.34Å; P740-R742 PolarHBondContact O-N 3.06Å; P740-R743 WeakPolarHBondContact O-CB 3.48Å; P740-R743 PolarHBondContact O-N 3.05Å; P740-A744 PolarHBondContact O-N 3.47Å |
| 741 | Y | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 75.7 Ų | 75.7 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 177.4 | 180 | -101.8 | 0 | 0 | 0 | 112.7 | W672 W681 R732 F733 D734 R737 G739 R743 A744 I745 | W672-Y741 HydrophobicContact CZ3-CE2 4.37Å; W681-Y741 HydrophobicContact CD2-CD2 4.04Å; W681-Y741 AromaticContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CE2 4.37Å; W681-Y741 HydrophobicContact CH2-CD2 4.24Å; W681-Y741 AromaticContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CG 4.33Å; R732-Y741 PolarHBondContact O-OH 3.12Å; F733-Y741 AromaticContact CD2-CE1 3.87Å; F733-Y741 HydrophobicContact CD2-CE1 3.87Å; F733-Y741 AromaticContact CE2-CE1 3.91Å; F733-Y741 HydrophobicContact CE2-CE1 3.91Å; D734-Y741 HydrophobicContact CB-CE1 4.11Å; D734-Y741 PolarHBondContact N-OH 3.09Å; D734-Y741 WeakPolarHBondContact O-CE1 3.11Å; R737-Y741 HydrophobicContact CB-CD1 3.33Å; R737-Y741 HydrophobicContact CB-CE1 3.87Å; R737-Y741 HydrophobicContact CB-CG 3.9Å; R737-Y741 HydrophobicContact CG-CD1 4.26Å; G739-Y741 VanDerWaalsContact C-N 3.26Å; G739-Y741 PolarHBondContact O-N 3.14Å; G739-Y741 VanDerWaalsContact O-N 3.15Å; Y741-R743 VanDerWaalsContact C-N 3.33Å; Y741-R743 PolarHBondContact O-N 2.88Å; Y741-A744 PolarHBondContact O-N 3.01Å; Y741-I745 HydrophobicContact CD1-CG1 4.18Å; Y741-I745 HydrophobicContact CD2-CG1 4.49Å; Y741-I745 HydrophobicContact CE1-CD1 4.42Å; Y741-I745 HydrophobicContact CE1-CG1 3.91Å; Y741-I745 HydrophobicContact CE2-CD1 4.31Å; Y741-I745 HydrophobicContact CE2-CG1 4.24Å; Y741-I745 HydrophobicContact CG-CG1 4.49Å; Y741-I745 WeakPolarHBondContact O-CB 3.47Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.63Å |
| 742 | R | 95.7 | Very high | 94.3 | Very high | 122 Ų | 122 | 71.9 Ų | 71.9 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.4 | -27.2 | 178 | -79.4 | -167.1 | 179.1 | -142.7 | -0.4 | 113 | K735 R737 G739 P740 A746 | K735-R742 PolarHBondContact O-NH2 3.33Å; R737-R742 WeakPolarHBondContact O-CG 3.45Å; R737-R742 PolarHBondContact O-NE 3.17Å; G739-R742 PolarHBondContact O-N 2.99Å; P740-R742 VanDerWaalsContact C-N 3.34Å; P740-R742 PolarHBondContact O-N 3.06Å; R742-A746 WeakPolarHBondContact O-CB 3.45Å; R742-A746 PolarHBondContact O-N 2.75Å; R742-A746 VanDerWaalsContact O-N 3.11Å |
| 743 | R | 96.3 | Very high | 94.3 | Very high | 193 Ų | 193 | 76.3 Ų | 76.3 | 73% | 0.728 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.1 | -51.9 | 171.4 | -66.7 | -176.7 | 176.9 | 172.7 | -2.6 | 110.2 | G739 P740 Y741 I745 A746 E747 | G739-R743 PolarHBondContact O-N 3.22Å; P740-R743 WeakPolarHBondContact O-CB 3.48Å; P740-R743 PolarHBondContact O-N 3.05Å; Y741-R743 VanDerWaalsContact C-N 3.33Å; Y741-R743 PolarHBondContact O-N 2.88Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.89Å; R743-A746 PolarHBondContact O-N 3.24Å; R743-E747 VanDerWaalsContact O-CB 3.32Å; R743-E747 WeakPolarHBondContact O-CB 3.34Å; R743-E747 PolarHBondContact O-N 3.3Å |
| 744 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.4 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | W681 P682 F709 P740 Y741 A748 | W681-A744 HydrophobicContact CZ2-CB 4Å; P682-A744 HydrophobicContact CG-CB 3.97Å; F709-A744 HydrophobicContact CB-CB 3.95Å; F709-A744 WeakPolarHBondContact CB-O 3.34Å; F709-A744 WeakPolarHBondContact O-CB 3.5Å; P740-A744 PolarHBondContact O-N 3.47Å; Y741-A744 PolarHBondContact O-N 3.01Å; A744-A748 WeakPolarHBondContact O-CB 3.21Å; A744-A748 PolarHBondContact O-N 3.34Å |
| 745 | I | 96.9 | Very high | 94 | Very high | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.9 | -69 | -72.2 | 0 | 0 | 0 | 112.3 | W672 P682 F725 F729 F733 Y741 R743 A749 | W672-I745 HydrophobicContact CH2-CD1 3.21Å; W672-I745 HydrophobicContact CZ2-CD1 4.02Å; W672-I745 HydrophobicContact CZ3-CD1 3.66Å; P682-I745 HydrophobicContact CG-CD1 3.89Å; P682-I745 HydrophobicContact CG-CG1 4.38Å; F725-I745 HydrophobicContact CE2-CD1 4.2Å; F729-I745 HydrophobicContact CE2-CG2 3.96Å; F729-I745 HydrophobicContact CZ-CG2 3.99Å; F733-I745 HydrophobicContact CD2-CD1 4.07Å; F733-I745 HydrophobicContact CD2-CG1 4.1Å; F733-I745 HydrophobicContact CD2-CG2 4.08Å; F733-I745 HydrophobicContact CE2-CB 4.4Å; F733-I745 HydrophobicContact CE2-CG1 4.13Å; F733-I745 HydrophobicContact CE2-CG2 3.85Å; Y741-I745 HydrophobicContact CD1-CG1 4.18Å; Y741-I745 HydrophobicContact CD2-CG1 4.49Å; Y741-I745 HydrophobicContact CE1-CD1 4.42Å; Y741-I745 HydrophobicContact CE1-CG1 3.91Å; Y741-I745 HydrophobicContact CE2-CD1 4.31Å; Y741-I745 HydrophobicContact CE2-CG1 4.24Å; Y741-I745 HydrophobicContact CG-CG1 4.49Å; Y741-I745 WeakPolarHBondContact O-CB 3.47Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.63Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.89Å; I745-A749 WeakPolarHBondContact O-CB 3.08Å; I745-A749 PolarHBondContact O-N 2.83Å |
| 746 | A | 96.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 73.9 Ų | 73.9 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | R742 R743 A749 S750 | R742-A746 WeakPolarHBondContact O-CB 3.45Å; R742-A746 PolarHBondContact O-N 2.75Å; R742-A746 VanDerWaalsContact O-N 3.11Å; R743-A746 PolarHBondContact O-N 3.24Å; A746-A749 CarbonylContact O-C 3.49Å; A746-A749 PolarHBondContact O-N 3.16Å; A746-S750 PolarHBondContact O-N 3.04Å; A746-S750 PolarHBondContact O-OG 3.39Å; A746-S750 VanDerWaalsContact O-OG 3.09Å |
| 747 | E | 96.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 69.7 Ų | 69.7 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.3 | -163.2 | -170.2 | 155.2 | 0 | 0 | 111.3 | F709 G710 R743 A749 S750 A751 | F709-E747 HydrophobicContact CD1-CB 3.98Å; F709-E747 HydrophobicContact CD1-CG 3.67Å; F709-E747 HydrophobicContact CE1-CG 4.23Å; G710-E747 PolarHBondContact N-OE2 2.97Å; R743-E747 VanDerWaalsContact O-CB 3.32Å; R743-E747 WeakPolarHBondContact O-CB 3.34Å; R743-E747 PolarHBondContact O-N 3.3Å; E747-A749 VanDerWaalsContact C-N 3.34Å; E747-A749 PolarHBondContact O-N 3.21Å; E747-S750 WeakPolarHBondContact CA-OG 3.49Å; E747-S750 PolarHBondContact O-N 2.77Å; E747-S750 PolarHBondContact O-OG 3.11Å; E747-A751 WeakPolarHBondContact O-CB 3.25Å; E747-A751 PolarHBondContact O-N 2.9Å |
| 748 | A | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I670 P682 F709 F725 A744 A751 A752 | I670-A748 HydrophobicContact CG2-CB 3.97Å; P682-A748 HydrophobicContact CB-CB 3.56Å; P682-A748 HydrophobicContact CG-CB 4.11Å; F709-A748 HydrophobicContact CB-CB 4.35Å; F709-A748 HydrophobicContact CD1-CB 4.26Å; F709-A748 HydrophobicContact CD2-CB 3.67Å; F709-A748 HydrophobicContact CE2-CB 3.98Å; F709-A748 HydrophobicContact CG-CB 3.82Å; F709-A748 HydrophobicContact CZ-CB 4.39Å; F725-A748 HydrophobicContact CE1-CB 4.09Å; F725-A748 HydrophobicContact CE2-CB 4.04Å; F725-A748 HydrophobicContact CZ-CB 3.69Å; A744-A748 WeakPolarHBondContact O-CB 3.21Å; A744-A748 PolarHBondContact O-N 3.34Å; A748-A751 PolarHBondContact O-N 2.88Å; A748-A752 VanDerWaalsContact O-CB 3.28Å; A748-A752 WeakPolarHBondContact O-CB 3.35Å; A748-A752 PolarHBondContact O-N 3.05Å |
| 749 | A | 95.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.3 | -29.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F725 I745 A746 E747 K753 | F725-A749 HydrophobicContact CE1-CB 4.34Å; I745-A749 WeakPolarHBondContact O-CB 3.08Å; I745-A749 PolarHBondContact O-N 2.83Å; A746-A749 CarbonylContact O-C 3.49Å; A746-A749 PolarHBondContact O-N 3.16Å; E747-A749 VanDerWaalsContact C-N 3.34Å; E747-A749 PolarHBondContact O-N 3.21Å; A749-K753 WeakPolarHBondContact O-CD 3.46Å; A749-K753 VanDerWaalsContact O-CG 3.26Å; A749-K753 WeakPolarHBondContact O-CG 3.49Å |
| 750 | S | 95.2 | Very high | 92.1 | Very high | 58 Ų | 58 | 67.8 Ų | 67.8 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.9 | -44 | 166.6 | 37.6 | 0 | 0 | 0 | 0 | 111.7 | A746 E747 A752 K753 Q754 | A746-S750 PolarHBondContact O-N 3.04Å; A746-S750 PolarHBondContact O-OG 3.39Å; A746-S750 VanDerWaalsContact O-OG 3.09Å; E747-S750 WeakPolarHBondContact CA-OG 3.49Å; E747-S750 PolarHBondContact O-N 2.77Å; E747-S750 PolarHBondContact O-OG 3.11Å; S750-A752 PolarHBondContact O-N 3.42Å; S750-K753 PolarHBondContact O-N 3.21Å; S750-Q754 WeakPolarHBondContact O-CG 3.24Å; S750-Q754 PolarHBondContact O-N 3.11Å |
| 751 | A | 94.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I670 F709 E747 A748 K753 Q754 L755 | I670-A751 HydrophobicContact CD1-CB 3.9Å; I670-A751 HydrophobicContact CG1-CB 4.27Å; F709-A751 HydrophobicContact CE1-CB 3.8Å; F709-A751 HydrophobicContact CZ-CB 3.69Å; E747-A751 WeakPolarHBondContact O-CB 3.25Å; E747-A751 PolarHBondContact O-N 2.9Å; A748-A751 PolarHBondContact O-N 2.88Å; A751-K753 VanDerWaalsContact C-N 3.29Å; A751-K753 PolarHBondContact O-N 3.36Å; A751-Q754 PolarHBondContact O-N 2.94Å; A751-L755 PolarHBondContact O-N 2.81Å |
| 752 | A | 93.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68 | -26 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I670 F725 L726 A748 S750 | I670-A752 HydrophobicContact CB-CB 4.22Å; I670-A752 HydrophobicContact CG1-CB 3.84Å; F725-A752 HydrophobicContact CD1-CB 4.05Å; F725-A752 HydrophobicContact CE1-CB 4.36Å; L726-A752 HydrophobicContact CD1-CB 4.34Å; L726-A752 HydrophobicContact CD2-CB 3.93Å; L726-A752 HydrophobicContact CG-CB 4.23Å; A748-A752 VanDerWaalsContact O-CB 3.28Å; A748-A752 WeakPolarHBondContact O-CB 3.35Å; A748-A752 PolarHBondContact O-N 3.05Å; S750-A752 PolarHBondContact O-N 3.42Å |
| 753 | K | 90.8 | Very high | 90.2 | Very high | 176 Ų | 176 | 67.9 Ų | 67.9 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78 | -29.3 | 173.7 | -72.1 | 171.3 | -178.4 | -173 | 0 | 113.1 | A749 S750 A751 L755 | A749-K753 WeakPolarHBondContact O-CD 3.46Å; A749-K753 VanDerWaalsContact O-CG 3.26Å; A749-K753 WeakPolarHBondContact O-CG 3.49Å; S750-K753 PolarHBondContact O-N 3.21Å; A751-K753 VanDerWaalsContact C-N 3.29Å; A751-K753 PolarHBondContact O-N 3.36Å; K753-L755 VanDerWaalsContact C-N 3.27Å |
| 754 | Q | 88.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 60.5 Ų | 60.5 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -76.8 | -15.9 | 175.1 | -69.9 | 169.3 | -19.2 | 0 | 0 | 112.4 | S750 A751 T756 | S750-Q754 WeakPolarHBondContact O-CG 3.24Å; S750-Q754 PolarHBondContact O-N 3.11Å; A751-Q754 PolarHBondContact O-N 2.94Å; Q754-T756 VanDerWaalsContact C-N 3.29Å; Q754-T756 PolarHBondContact O-N 2.96Å |
| 755 | L | 87.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | trans | -86.3 | 66.3 | -176.9 | -152.3 | 79.3 | 0 | 0 | 0 | 111.5 | D669 A751 K753 V759 L763 | D669-L755 HydrophobicContact CB-CD2 4.41Å; D669-L755 WeakPolarHBondContact OD1-CD2 3.43Å; A751-L755 PolarHBondContact O-N 2.81Å; K753-L755 VanDerWaalsContact C-N 3.27Å; L755-V759 HydrophobicContact CD1-CG1 3.99Å; L755-L763 HydrophobicContact CD1-CD1 3.94Å | ||
| 756 | T | 85.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | trans | -61.4 | 160.1 | 172.2 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | Q754 E758 V759 R760 | Q754-T756 VanDerWaalsContact C-N 3.29Å; Q754-T756 PolarHBondContact O-N 2.96Å; T756-E758 WeakPolarHBondContact CB-OE2 3.43Å; T756-E758 PolarHBondContact O-N 3.12Å; T756-E758 PolarHBondContact OG1-N 3.05Å; T756-E758 PolarHBondContact OG1-OE2 3.35Å; T756-V759 PolarHBondContact O-N 3.06Å; T756-V759 WeakPolarHBondContact OG1-CG2 3.47Å; T756-V759 PolarHBondContact OG1-N 2.78Å; T756-R760 PolarHBondContact O-N 2.77Å | ||
| 757 | P | 83.5 | Confident | 84.2 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.4 | -31 | 172.4 | 22.3 | -34.1 | 0 | 0 | 0 | 113.1 | R760 A761 | P757-R760 PolarHBondContact O-N 3.05Å; P757-A761 WeakPolarHBondContact O-CB 3.4Å; P757-A761 PolarHBondContact O-N 3.36Å |
| 758 | E | 85.7 | Confident | 81.3 | Confident | 131 Ų | 131 | 82.2 Ų | 82.2 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68.5 | -45.7 | 174.7 | -51.1 | 123 | 167.5 | 0 | 0 | 111.5 | T756 R760 A761 L762 | T756-E758 WeakPolarHBondContact CB-OE2 3.43Å; T756-E758 PolarHBondContact O-N 3.12Å; T756-E758 PolarHBondContact OG1-N 3.05Å; T756-E758 PolarHBondContact OG1-OE2 3.35Å; E758-R760 VanDerWaalsContact C-N 3.3Å; E758-R760 PolarHBondContact O-N 3.18Å; E758-A761 WeakPolarHBondContact O-CB 3.49Å; E758-A761 PolarHBondContact O-N 2.85Å; E758-A761 VanDerWaalsContact O-N 3.13Å; E758-L762 WeakPolarHBondContact O-CG 3.42Å; E758-L762 PolarHBondContact O-N 3.25Å |
| 759 | V | 84.3 | Confident | 80.5 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 32% | 0.321 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.9 | L755 T756 L763 | L755-V759 HydrophobicContact CD1-CG1 3.99Å; T756-V759 PolarHBondContact O-N 3.06Å; T756-V759 WeakPolarHBondContact OG1-CG2 3.47Å; T756-V759 PolarHBondContact OG1-N 2.78Å; V759-L763 HydrophobicContact CG1-CD1 3.96Å; V759-L763 WeakPolarHBondContact O-CB 3.28Å; V759-L763 VanDerWaalsContact O-CG 3.25Å; V759-L763 WeakPolarHBondContact O-CG 3.28Å; V759-L763 PolarHBondContact O-N 3.05Å; V759-L763 VanDerWaalsContact O-N 3.08Å |
| 760 | R | 83.3 | Confident | 79.7 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 171.8 | -173.5 | -178.2 | -70.7 | 106.6 | 0.9 | 111 | C666 D669 T756 P757 E758 L763 T764 | C666-R760 HydrophobicContact CB-CG 4.19Å; D669-R760 IonicContact OD1-CZ 2.71Å; D669-R760 VanDerWaalsContact OD1-CZ 3.26Å; D669-R760 IonicContact OD1-NE 2.76Å; D669-R760 PolarHBondContact OD1-NE 3.02Å; D669-R760 IonicContact OD1-NH2 3.91Å; D669-R760 PolarHBondContact OD1-NH2 3.48Å; D669-R760 IonicContact OD2-NE 3.81Å; D669-R760 PolarHBondContact OD2-NE 3.34Å; T756-R760 PolarHBondContact O-N 2.77Å; P757-R760 PolarHBondContact O-N 3.05Å; E758-R760 VanDerWaalsContact C-N 3.3Å; E758-R760 PolarHBondContact O-N 3.18Å; R760-L763 PolarHBondContact O-N 3.41Å; R760-T764 WeakPolarHBondContact O-CG2 3.17Å; R760-T764 PolarHBondContact O-N 3.46Å; R760-T764 VanDerWaalsContact O-N 3.16Å; R760-T764 PolarHBondContact O-OG1 3.47Å; R760-T764 VanDerWaalsContact O-OG1 3.13Å |
| 761 | A | 84.7 | Confident | 78.9 | Confident | 33 Ų | 33 | 90.9 Ų | 90.9 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.8 | -51.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P757 E758 L763 T764 Q765 | P757-A761 WeakPolarHBondContact O-CB 3.4Å; P757-A761 PolarHBondContact O-N 3.36Å; E758-A761 WeakPolarHBondContact O-CB 3.49Å; E758-A761 PolarHBondContact O-N 2.85Å; E758-A761 VanDerWaalsContact O-N 3.13Å; A761-L763 VanDerWaalsContact C-N 3.31Å; A761-L763 PolarHBondContact O-N 2.83Å; A761-T764 WeakPolarHBondContact CA-OG1 3.48Å; A761-T764 CarbonylContact O-C 3.58Å; A761-T764 WeakPolarHBondContact O-CA 3.21Å; A761-T764 PolarHBondContact O-N 3.19Å; A761-T764 PolarHBondContact O-OG1 2.06Å; A761-Q765 WeakPolarHBondContact O-CB 3.34Å; A761-Q765 VanDerWaalsContact O-CG 3.26Å; A761-Q765 WeakPolarHBondContact O-CG 3.17Å; A761-Q765 PolarHBondContact O-N 3.12Å |
| 762 | L | 83.7 | Confident | 77.9 | Confident | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.9 | -42.2 | 176.4 | -72.5 | 162.3 | 0 | 0 | 0 | 112.7 | E758 T764 Q765 | E758-L762 WeakPolarHBondContact O-CG 3.42Å; E758-L762 PolarHBondContact O-N 3.25Å; L762-T764 PolarHBondContact O-N 3.36Å; L762-Q765 PolarHBondContact O-N 3.04Å |
| 763 | L | 77.9 | Confident | 77 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.9 | -10.4 | 176.8 | -69.2 | 169.9 | 0 | 0 | 0 | 114.1 | L755 V759 R760 A761 | L755-L763 HydrophobicContact CD1-CD1 3.94Å; V759-L763 HydrophobicContact CG1-CD1 3.96Å; V759-L763 WeakPolarHBondContact O-CB 3.28Å; V759-L763 VanDerWaalsContact O-CG 3.25Å; V759-L763 WeakPolarHBondContact O-CG 3.28Å; V759-L763 PolarHBondContact O-N 3.05Å; V759-L763 VanDerWaalsContact O-N 3.08Å; R760-L763 PolarHBondContact O-N 3.41Å; A761-L763 VanDerWaalsContact C-N 3.31Å; A761-L763 PolarHBondContact O-N 2.83Å |
| 764 | T | 80.2 | Confident | 76 | Confident | 38 Ų | 38 | 96.1 Ų | 96.1 | 23% | 0.233 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -112.4 | -4.1 | 175.6 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | C666 R760 A761 L762 | C666-T764 HydrophobicContact CB-CG2 3.88Å; R760-T764 WeakPolarHBondContact O-CG2 3.17Å; R760-T764 PolarHBondContact O-N 3.46Å; R760-T764 VanDerWaalsContact O-N 3.16Å; R760-T764 PolarHBondContact O-OG1 3.47Å; R760-T764 VanDerWaalsContact O-OG1 3.13Å; A761-T764 WeakPolarHBondContact CA-OG1 3.48Å; A761-T764 CarbonylContact O-C 3.58Å; A761-T764 WeakPolarHBondContact O-CA 3.21Å; A761-T764 PolarHBondContact O-N 3.19Å; A761-T764 PolarHBondContact O-OG1 2.06Å; L762-T764 PolarHBondContact O-N 3.36Å |
| 765 | Q | 71.2 | Confident | 75.1 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -82.3 | -15.8 | -170.6 | -95.1 | 168.7 | -3 | 0 | 0 | 115 | A761 L762 E767 | A761-Q765 WeakPolarHBondContact O-CB 3.34Å; A761-Q765 VanDerWaalsContact O-CG 3.26Å; A761-Q765 WeakPolarHBondContact O-CG 3.17Å; A761-Q765 PolarHBondContact O-N 3.12Å; L762-Q765 PolarHBondContact O-N 3.04Å; Q765-E767 VanDerWaalsContact C-N 3.28Å; Q765-E767 PolarHBondContact O-N 3.39Å |
| 766 | F | 54.3 | Low | 74.2 | Confident | 191 Ų | 191 | 99.1 Ų | 99.1 | 84% | 0.838 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -91.2 | 32.8 | -177 | -65.7 | -81.3 | 0 | 0 | 0 | 113.5 | ||
| 767 | E | 53.1 | Low | 73.2 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | trans | -118.3 | 112.2 | 171.8 | -70.5 | -167.8 | 152.3 | 0 | 0 | 110.7 | V654 S655 Q765 | V654-E767 VanDerWaalsContact CA-OE1 3.31Å; V654-E767 WeakPolarHBondContact CA-OE1 3.28Å; S655-E767 VanDerWaalsContact CB-CD 3.42Å; S655-E767 WeakPolarHBondContact CB-OE2 3.43Å; S655-E767 PolarHBondContact N-OE1 2.96Å; S655-E767 PolarHBondContact N-OE2 3.48Å; S655-E767 PolarHBondContact OG-OE2 3.15Å; Q765-E767 VanDerWaalsContact C-N 3.28Å; Q765-E767 PolarHBondContact O-N 3.39Å | ||
| 768 | T | 37.1 | Very low | 72.3 | Confident | 211 Ų | 211 | 103.5 Ų | 103.5 | 100% | 1.294 | 53% | 0.532 | S | S | * | . | trans | -133.2 | 0 | 170.9 | 56.3 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 768 of 768 residues in 657.4 ms
(Link to these results)