| 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 | 34.7 | Very low | 44.9 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 100% | 1.128 | 84% | 0.84 | S | S | * | * | 0 | 100.3 | 0 | -69.7 | 160.3 | 178.4 | 0 | 0 | 105.9 | |||||
| 2 | T | 42.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | 69.4 | 129.4 | 80.3 | 57 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3 | L | 46.2 | Very low | 44.7 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | cis | -165.2 | 164.8 | 9.8 | -114.8 | 166.3 | 0 | 0 | 0 | 111.3 | ||||
| 4 | S | 45.8 | Very low | 45 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | 62.5 | 162.5 | 160 | -53.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 5 | G | 41.4 | Very low | 44.6 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | cis | 112.1 | 133.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 6 | G | 43.4 | Very low | 44.7 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | cis | 165.5 | 168.6 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 7 | S | 47.9 | Very low | 44.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 76.3 | 132 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 8 | D | 48.2 | Very low | 44.5 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -166.6 | 129.3 | 141.1 | -92.9 | -36.3 | 0 | 0 | 0 | 106.7 | ||||
| 9 | R | 50.2 | Low | 44.6 | Very low | 225 Ų | 225 | 138.2 Ų | 138.2 | 85% | 0.849 | 84% | 0.835 | S | S | * | * | cis | 84.9 | 87.5 | 43.6 | -72.3 | -162.9 | 71.8 | 164.8 | 0.4 | 115.7 | ||||
| 10 | A | 45.4 | Very low | 44.6 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | 48.2 | 132.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 11 | S | 48.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -142.8 | 144.7 | 134.4 | -84.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | D | 43.8 | Very low | 45.6 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 173.5 | 171.7 | -176.4 | 13.3 | 0 | 0 | 0 | 109.2 | ||||
| 13 | M | 43.6 | Very low | 45.9 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | 157.5 | 103.6 | 139.1 | -84.6 | 168.8 | 67.5 | 0 | 0 | 113.4 | ||||
| 14 | S | 49.1 | Very low | 46.1 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 26.5 | 129.7 | 126.2 | -168.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 15 | G | 38.2 | Very low | 46 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -164.4 | 127.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 16 | Q | 46.2 | Very low | 46.4 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -148 | 121.7 | -169 | -173.8 | 175.7 | 16 | 0 | 0 | 113.6 | ||||
| 17 | T | 44.8 | Very low | 46.5 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -148.5 | 115.5 | 168.3 | 48.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 18 | V | 40.7 | Very low | 46.4 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | 84.3 | 139.6 | 68.8 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 19 | L | 47.7 | Very low | 46.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -96.4 | 159.5 | -160.8 | -56.8 | 163.9 | 0 | 0 | 0 | 113.7 | ||||
| 20 | T | 43.5 | Very low | 45.6 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -139.4 | 152.6 | 142.8 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 21 | A | 51.3 | Low | 45.7 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 80% | 0.802 | S | S | * | * | trans | -88.6 | -159.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | E | 49.2 | Very low | 45.3 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | cis | -157.7 | 171.2 | 7.5 | 38.7 | -117.2 | 89.3 | 0 | 0 | 110.4 | ||||
| 23 | D | 48.1 | Very low | 45.3 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | 62.7 | 164.3 | 166 | -48.8 | -23.8 | 0 | 0 | 0 | 118.2 | ||||
| 24 | V | 50.4 | Low | 45.7 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | cis | -137.8 | 155 | 10.8 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 25 | D | 44.3 | Very low | 45.5 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 155.6 | 177.5 | -42.3 | -97.6 | 0 | 0 | 0 | 116.2 | ||||
| 26 | I | 50.6 | Low | 45.5 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -141 | 125 | 152.7 | -61.8 | -175.4 | 0 | 0 | 0 | 109 | ||||
| 27 | D | 45 | Very low | 45.3 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -101.4 | 150.7 | -177.5 | -107.8 | -27.8 | 0 | 0 | 0 | 114.6 | ||||
| 28 | V | 46.1 | Very low | 45.2 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | 17.4 | 143.9 | 147.3 | -165.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 29 | V | 42.5 | Very low | 45.6 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 132.7 | 129.4 | 145.1 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 30 | G | 38.3 | Very low | 45.5 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | -171.8 | -156.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 31 | E | 48.1 | Very low | 45.3 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -62 | 166.3 | -174.6 | -68.7 | 130.6 | 107.8 | 0 | 0 | 116 | ||||
| 32 | G | 40.9 | Very low | 45.3 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -171.9 | 46.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 33 | D | 43.7 | Very low | 44.7 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 134.1 | 179.4 | -22.6 | -46.5 | 0 | 0 | 0 | 110.5 | ||||
| 34 | D | 50.7 | Low | 44.4 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -152.6 | 154.4 | 161.7 | -166.8 | -158.4 | 0 | 0 | 0 | 110.2 | ||||
| 35 | E | 45.3 | Very low | 43.8 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -111.6 | 171.5 | -163.4 | -61.8 | -162.3 | 136.2 | 0 | 0 | 114.6 | ||||
| 36 | G | 37.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 102.6 | 114.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 37 | M | 43.2 | Very low | 44 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 70% | 0.704 | 78% | 0.783 | S | S | * | * | -176.8 | 106.1 | 95.8 | -168 | 75.4 | -166.8 | 0 | 0 | 110 | |||||
| 38 | E | 41.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -59.9 | 144.9 | 163.1 | -79.1 | -166.7 | 128.8 | 0 | 0 | 110.7 | ||||
| 39 | R | 49.6 | Very low | 42.6 | Very low | 209 Ų | 209 | 130.6 Ų | 130.6 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | trans | -134.5 | 123.6 | 153.4 | -73.5 | -167.9 | 175.6 | 73.9 | 5.5 | 109.5 | ||||
| 40 | V | 46.1 | Very low | 42.2 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 61% | 0.612 | 79% | 0.794 | S | S | * | * | trans | -93.9 | 147.2 | -173.8 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 41 | D | 38.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 12.1 | 138.2 | 161 | -47 | -29.7 | 0 | 0 | 0 | 121 | ||||
| 42 | S | 51.3 | Low | 41.4 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -157.3 | 105.9 | 151.6 | -74.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 43 | D | 35.9 | Very low | 41.2 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 150.5 | 169 | -66.4 | -73.1 | 0 | 0 | 0 | 111.9 | ||||
| 44 | C | 42.5 | Very low | 40.9 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -124.9 | 85.1 | 170.5 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 45 | D | 38.5 | Very low | 40 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -82.6 | 173.3 | 172.6 | -179.4 | -107.2 | 0 | 0 | 0 | 112.7 | ||||
| 46 | S | 44.8 | Very low | 39.2 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 83 | 153.7 | 157.5 | -83.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 47 | P | 53.2 | Low | 38.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -144.7 | 166.1 | -35.4 | 37.9 | -21.5 | 0 | 0 | 0 | 115.9 | ||||
| 48 | G | 31.4 | Very low | 38.2 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | 108.4 | 134 | 128.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 49 | G | 31.8 | Very low | 37.6 | Very low | 90 Ų | 90 | 135 Ų | 135 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | 102.4 | 123.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 50 | G | 33 | Very low | 37.8 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | cis | -169.2 | 153.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 51 | S | 35.6 | Very low | 37.3 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -99.5 | 136.4 | -171.1 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 52 | I | 34.6 | Very low | 37.2 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -137.1 | 126.4 | 156.4 | -62.5 | -176.5 | 0 | 0 | 0 | 107.9 | ||||
| 53 | L | 37.2 | Very low | 36.5 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -132.7 | 118.3 | 174.7 | -78.2 | 175.6 | 0 | 0 | 0 | 111 | ||||
| 54 | H | 35.8 | Very low | 36.6 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -167.6 | 137.8 | 161.4 | -134.4 | -90 | 0 | 0 | 0 | 107.8 | ||||
| 55 | G | 32.2 | Very low | 36.8 | Very low | 51 Ų | 51 | 132.7 Ų | 132.7 | 53% | 0.526 | 80% | 0.797 | S | S | . | * | cis | 154 | 127.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 56 | F | 29.1 | Very low | 37.4 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 66.3 | 164.4 | 179.8 | -63.8 | -102.2 | 0 | 0 | 0 | 116.3 | ||||
| 57 | R | 30.3 | Very low | 37.1 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | cis | 179.9 | 120.6 | -38 | 176.7 | -175.9 | -176.2 | -154.2 | 1.6 | 107.6 | ||||
| 58 | G | 29 | Very low | 36.6 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 175.8 | 133.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 59 | E | 29.3 | Very low | 36.9 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -133.8 | 168.7 | 175.2 | -78.3 | -109 | 136.9 | 0 | 0 | 106.5 | ||||
| 60 | P | 54.7 | Low | 37.1 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -133.7 | -150 | -25.1 | 37.1 | -16.6 | 0 | 0 | 0 | 111 | ||||
| 61 | A | 35.6 | Very low | 37.3 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | 75.9 | 158.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 62 | D | 35.8 | Very low | 37.4 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | cis | -121.9 | -176.2 | 10.6 | -42.9 | -60.7 | 0 | 0 | 0 | 113.7 | ||||
| 63 | D | 35.7 | Very low | 37.7 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 178.8 | -170.3 | -55.5 | -86.4 | 0 | 0 | 0 | 117 | ||||
| 64 | D | 37.6 | Very low | 37.6 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -23.4 | 148 | 172.1 | -58.6 | -54.8 | 0 | 0 | 0 | 119.5 | ||||
| 65 | L | 47.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | -168.7 | 160.4 | 107.8 | -101.1 | 168.5 | 0 | 0 | 0 | 113.9 | |||||
| 66 | E | 50.8 | Low | 37.8 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -81.3 | 154.2 | 172.5 | -54.5 | 173.3 | 133.5 | 0 | 0 | 110.8 | ||||
| 67 | D | 40 | Very low | 38 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -153 | 155.9 | 147.4 | -143.9 | -16 | 0 | 0 | 0 | 112.3 | ||||
| 68 | E | 42.9 | Very low | 38.1 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -114.7 | 148 | -173.4 | -116 | -164.2 | 162.7 | 0 | 0 | 112.4 | ||||
| 69 | I | 37 | Very low | 38.2 | Very low | 131 Ų | 131 | 156.5 Ų | 156.5 | 67% | 0.672 | 81% | 0.814 | S | S | * | * | trans | 53.4 | 113.8 | 152 | -51.8 | 158.1 | 0 | 0 | 0 | 117.8 | ||||
| 70 | E | 34.8 | Very low | 38.3 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | -155.4 | 167.5 | 119.5 | -120.7 | 179.4 | -174.8 | 0 | 0 | 114.3 | |||||
| 71 | V | 39.2 | Very low | 37.2 | Very low | 120 Ų | 120 | 150 Ų | 150 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -127.3 | 98.1 | -168.9 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 72 | E | 36.3 | Very low | 37.3 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -99.7 | 153.2 | 170.8 | -67.5 | -147.3 | 110.6 | 0 | 0 | 113.1 | ||||
| 73 | K | 40.6 | Very low | 37.9 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -121.3 | 107 | -175.2 | -60.8 | 165.3 | -172.4 | 159.5 | 0 | 108.9 | ||||
| 74 | E | 34.7 | Very low | 37.6 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | trans | -110.6 | 126.1 | 173.1 | -95.7 | -71.1 | 109.2 | 0 | 0 | 110.8 | ||||
| 75 | E | 36.5 | Very low | 37.4 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -104 | 99.6 | -177.5 | -173.4 | -163.8 | 147.8 | 0 | 0 | 110.6 | ||||
| 76 | M | 35.6 | Very low | 36.6 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -120.7 | 102.2 | 175 | -70.9 | -141.3 | -177.2 | 0 | 0 | 114.7 | ||||
| 77 | R | 34.4 | Very low | 35.8 | Very low | 235 Ų | 235 | 144.9 Ų | 144.9 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | 24.3 | 108.6 | 139.3 | -81.9 | 175.9 | 154.2 | -112.5 | -1.2 | 118.8 | ||||
| 78 | S | 32.2 | Very low | 35.6 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 12.2 | 107.3 | 130.9 | -167.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 79 | G | 31.8 | Very low | 35 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -114.5 | 114.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | G | 30.7 | Very low | 34.9 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -80.8 | 147.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 81 | G | 31.3 | Very low | 34.7 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -167.3 | 71.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | S | 38.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -126.4 | 116.2 | 174 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | C84 | S82-C84 PolarHBondContact O-N 3.08Š| ||
| 83 | P | 46.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -76 | 114.7 | 175.8 | 29.9 | -31.9 | 0 | 0 | 0 | 110 | ||||
| 84 | C | 30.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -73 | 135.4 | 165.5 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | S82 | S82-C84 PolarHBondContact O-N 3.08Š| ||
| 85 | C | 32.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 86% | 0.858 | 83% | 0.827 | S | S | * | * | trans | -107 | 106.6 | 163.5 | 56 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 86 | E | 31.3 | Very low | 34.3 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -75.9 | 148.2 | 172.5 | -66 | 171.9 | 101.6 | 0 | 0 | 110.5 | ||||
| 87 | S | 33.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -157 | 102.7 | 158.7 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 88 | S | 36.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 117 Ų | 117 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | -73.1 | 147.2 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | G | 30.5 | Very low | 34.5 | Very low | 80 Ų | 80 | 120.3 Ų | 120.3 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -151.6 | 103.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 90 | E | 34.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -108.9 | 141.3 | -167.7 | -55.4 | 176.6 | -161.3 | 0 | 0 | 109.9 | ||||
| 91 | G | 31.2 | Very low | 34.8 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 179.1 | 103.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 92 | E | 35.7 | Very low | 35 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -43.9 | 159.2 | -179.6 | -84 | -79.9 | 89.9 | 0 | 0 | 118.8 | ||||
| 93 | P | 40 | Very low | 35.1 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 131.5 | -178.4 | 34.8 | -32.7 | 0 | 0 | 0 | 114.2 | ||
| 94 | G | 33.3 | Very low | 34.6 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 95 | S | 35.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 134.1 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 96 | G | 35.1 | Very low | 35.6 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -155.9 | 125.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 97 | K | 36.4 | Very low | 36.2 | Very low | 211 Ų | 211 | 125.3 Ų | 125.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -88.7 | 148.1 | 178.9 | -69.2 | -176.4 | 175 | -174.2 | 0 | 112 | ||||
| 98 | G | 33.8 | Very low | 36.5 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -165.5 | 134.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | E | 34.4 | Very low | 36.7 | Very low | 195 Ų | 195 | 121.4 Ų | 121.4 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -114.8 | 146.1 | -166.2 | -67.8 | 173.4 | 104 | 0 | 0 | 113.5 | ||||
| 100 | G | 33.7 | Very low | 37.6 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 85.5 | 111.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 101 | H | 35.8 | Very low | 38.7 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | -172.8 | 178 | 106.1 | -98.7 | 88.2 | 0 | 0 | 0 | 112.3 | |||||
| 102 | D | 34.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | -78.4 | 147.9 | -154.6 | -77 | -89.1 | 0 | 0 | 0 | 119.7 | ||||
| 103 | Q | 41.8 | Very low | 40.6 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 31.5 | 114.2 | 132.3 | -52.6 | 175 | 66.5 | 0 | 0 | 119.7 | ||||
| 104 | S | 35.8 | Very low | 41.1 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -168.5 | 152.1 | 123.9 | 38.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 105 | A | 42.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -101.7 | 130.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 106 | A | 43 | Very low | 43.3 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -150.6 | 122.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G108 | A106-G108 PolarHBondContact O-N 3.31Š| ||
| 107 | P | 43.8 | Very low | 44.5 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 65.5 | 174.8 | 33.2 | -34.7 | 0 | 0 | 0 | 110.5 | G109 | P107-G109 VanDerWaalsContact C-N 3.27Å; P107-G109 PolarHBondContact O-N 3.14Å | ||
| 108 | G | 38 | Very low | 46.4 | Very low | 69 Ų | 69 | 118.4 Ų | 118.4 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -69.3 | 80.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A106 A110 | A106-G108 PolarHBondContact O-N 3.31Å; G108-A110 PolarHBondContact O-N 2.91Å | ||
| 109 | G | 41.4 | Very low | 48.8 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -60 | 91.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P107 I111 | P107-G109 VanDerWaalsContact C-N 3.27Å; P107-G109 PolarHBondContact O-N 3.14Å; G109-I111 PolarHBondContact O-N 3.16Å | ||
| 110 | A | 49.3 | Very low | 51.4 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -66.2 | 93.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G108 Q112 | G108-A110 PolarHBondContact O-N 2.91Å; A110-Q112 PolarHBondContact O-N 3.16Å | ||
| 111 | I | 57.8 | Low | 54 | Low | 158 Ų | 158 | 113.3 Ų | 113.3 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -59.4 | 99.8 | 172.8 | -59.7 | 175.3 | 0 | 0 | 0 | 107.5 | G109 K113 | G109-I111 PolarHBondContact O-N 3.16Å; I111-K113 VanDerWaalsContact C-N 3.31Å; I111-K113 PolarHBondContact O-N 3.37Å | ||
| 112 | Q | 50.3 | Low | 56.5 | Low | 169 Ų | 169 | 109.3 Ų | 109.3 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | trans | -65.1 | 94.3 | 173.4 | -64.8 | -167.5 | 33 | 0 | 0 | 108 | A110 P114 | A110-Q112 PolarHBondContact O-N 3.16Å; Q112-P114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | K | 57.3 | Low | 59.3 | Low | 172 Ų | 172 | 107.7 Ų | 107.7 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -51.7 | 122.6 | 170.6 | -80.4 | 176.7 | 174.9 | 166.2 | 0 | 107.4 | I111 K115 | I111-K113 VanDerWaalsContact C-N 3.31Å; I111-K113 PolarHBondContact O-N 3.37Å; K113-K115 PolarHBondContact O-N 3.02Å | ||
| 114 | P | 50 | Low | 61.7 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | trans | -63.7 | 134.3 | -170.7 | 25.1 | -34.5 | 0 | 0 | 0 | 109.8 | Q112 S116 S117 | Q112-P114 VanDerWaalsContact O-N 3.14Å; P114-S116 PolarHBondContact O-N 2.79Å; P114-S117 PolarHBondContact O-N 3.21Å; P114-S117 PolarHBondContact O-OG 3.03Å | ||
| 115 | K | 56.8 | Low | 64.6 | Low | 181 Ų | 181 | 97.8 Ų | 97.8 | 79% | 0.787 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -61.6 | -12 | -177.5 | -62.5 | 177 | -178.7 | 176.3 | 0 | 112.6 | K113 S117 L118 | K113-K115 PolarHBondContact O-N 3.02Å; K115-S117 PolarHBondContact O-N 3.1Å; K115-L118 PolarHBondContact O-N 2.88Å |
| 116 | S | 58.7 | Low | 67.1 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -60.1 | -20 | 168.7 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | P114 L118 V119 | P114-S116 PolarHBondContact O-N 2.79Å; S116-L118 PolarHBondContact O-N 2.97Å; S116-L118 VanDerWaalsContact O-N 3.13Å; S116-V119 WeakPolarHBondContact O-CB 3.29Å; S116-V119 PolarHBondContact O-N 3.04Å |
| 117 | S | 60 | Low | 69.5 | Low | 47 Ų | 47 | 90.3 Ų | 90.3 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -63.7 | -14.4 | 176.9 | 52 | 0 | 0 | 0 | 0 | 114.6 | P114 K115 Y156 | P114-S117 PolarHBondContact O-N 3.21Å; P114-S117 PolarHBondContact O-OG 3.03Å; K115-S117 PolarHBondContact O-N 3.1Å; S117-Y156 PolarHBondContact O-N 3.09Å |
| 118 | L | 75.9 | Confident | 72 | Confident | 91 Ų | 91 | 83.7 Ų | 83.7 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -97 | 5.7 | 172.8 | -64.9 | 172.9 | 0 | 0 | 0 | 113.7 | K115 S116 Y156 E159 | K115-L118 PolarHBondContact O-N 2.88Å; S116-L118 PolarHBondContact O-N 2.97Å; S116-L118 VanDerWaalsContact O-N 3.13Å; L118-Y156 VanDerWaalsContact O-CD2 3.28Å; L118-Y156 WeakPolarHBondContact O-CD2 3.4Å; L118-E159 WeakPolarHBondContact CD2-OE2 3.38Å |
| 119 | V | 84.9 | Confident | 74.8 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 61% | 0.606 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -81.8 | 137.6 | 172.1 | -180 | 0 | 0 | 0 | 0 | 109.3 | S116 P121 | S116-V119 WeakPolarHBondContact O-CB 3.29Å; S116-V119 PolarHBondContact O-N 3.04Å; V119-P121 WeakPolarHBondContact O-CD 3.2Å |
| 120 | K | 87.9 | Confident | 77.4 | Confident | 115 Ų | 115 | 77.2 Ų | 77.2 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 125 | 177.1 | -176.5 | 177.8 | 177.3 | -176.7 | 0 | 110.1 | Y156 | K120-Y156 HydrophobicContact CB-CD1 4.32Å; K120-Y156 HydrophobicContact CB-CD2 4.36Å; K120-Y156 HydrophobicContact CB-CE1 3.87Å; K120-Y156 HydrophobicContact CB-CE2 3.9Å; K120-Y156 HydrophobicContact CD-CE1 4.24Å; K120-Y156 HydrophobicContact CG-CD1 4.26Å; K120-Y156 HydrophobicContact CG-CE1 3.67Å |
| 121 | P | 88.8 | Confident | 79.6 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 146 | 178 | -24.2 | 33.7 | 0 | 0 | 0 | 112.4 | V119 Y123 F154 Y157 | V119-P121 WeakPolarHBondContact O-CD 3.2Å; P121-Y123 HydrophobicContact CB-CD2 3.76Å; P121-Y123 HydrophobicContact CB-CE2 4.41Å; P121-Y123 PolarHBondContact O-N 3.45Å; P121-F154 HydrophobicContact CB-CD1 4.01Å; P121-F154 HydrophobicContact CB-CE1 4.13Å; P121-F154 HydrophobicContact CG-CB 3.98Å; P121-F154 HydrophobicContact CG-CD1 3.45Å; P121-F154 VanDerWaalsContact CG-CD1 3.45Å; P121-F154 HydrophobicContact CG-CE1 4.08Å; P121-F154 HydrophobicContact CG-CG 3.81Å; P121-Y157 HydrophobicContact CG-CE2 4.24Å |
| 122 | P | 89 | Confident | 81.4 | Confident | 105 Ų | 105 | 66 Ų | 66 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -75.3 | 28.6 | -179.3 | 33.4 | -37.5 | 0 | 0 | 0 | 113.7 | ||
| 123 | Y | 91.8 | Very high | 83.6 | Confident | 82 Ų | 82 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | trans | -108.5 | 142.3 | -175.4 | -60 | -56.8 | 0 | 0 | 0 | 111.5 | P121 L128 M131 F154 F209 | P121-Y123 HydrophobicContact CB-CD2 3.76Å; P121-Y123 HydrophobicContact CB-CE2 4.41Å; P121-Y123 PolarHBondContact O-N 3.45Å; Y123-L128 HydrophobicContact CD2-CD2 4.38Å; Y123-M131 HydrophobicContact CD1-CE 4.16Å; Y123-M131 HydrophobicContact CD2-CE 3.85Å; Y123-M131 HydrophobicContact CE2-CE 4.23Å; Y123-M131 HydrophobicContact CG-CE 3.82Å; Y123-F154 HydrophobicContact CD2-CE1 4.09Å; Y123-F154 AromaticContact CD2-CZ 3.91Å; Y123-F154 HydrophobicContact CD2-CZ 3.91Å; Y123-F154 HydrophobicContact CE2-CE1 4.01Å; Y123-F154 HydrophobicContact CE2-CZ 4.01Å; Y123-F209 HydrophobicContact CD1-CB 3.77Å; Y123-F209 HydrophobicContact CE1-CB 3.75Å | ||
| 124 | S | 93.7 | Very high | 85.4 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | trans | -73 | 158.1 | 169.7 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | I126 A127 L128 | S124-I126 PolarHBondContact O-N 3.19Å; S124-A127 PolarHBondContact O-N 3.26Å; S124-A127 PolarHBondContact OG-N 2.95Å; S124-A127 VanDerWaalsContact OG-N 3.13Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 2.93Å | ||
| 125 | Y | 95.5 | Very high | 87.5 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -32.9 | 173.6 | -68.9 | -56.8 | 0 | 0 | 0 | 112.5 | L128 I129 Y157 S167 I168 | Y125-L128 HydrophobicContact CD1-CD1 3.94Å; Y125-L128 HydrophobicContact CE1-CD1 4.38Å; Y125-L128 PolarHBondContact O-N 3.31Å; Y125-I129 WeakPolarHBondContact O-CB 3.16Å; Y125-I129 WeakPolarHBondContact O-CD1 3.3Å; Y125-I129 WeakPolarHBondContact O-CG1 3.35Å; Y125-I129 PolarHBondContact O-N 2.86Å; Y125-Y157 HydrophobicContact CE1-CE1 4.06Å; Y125-S167 WeakPolarHBondContact CE2-OG 3.39Å; Y125-S167 PolarHBondContact OH-OG 2.97Å; Y125-I168 HydrophobicContact CD1-CD1 3.6Å; Y125-I168 HydrophobicContact CE1-CD1 4.33Å; Y125-I168 HydrophobicContact CG-CD1 4.25Å |
| 126 | I | 95 | Very high | 89.3 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.195 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -53.4 | 171.6 | -56.9 | 175.1 | 0 | 0 | 0 | 109.7 | S124 L128 I129 T130 N175 F178 F204 | S124-I126 PolarHBondContact O-N 3.19Å; I126-L128 VanDerWaalsContact C-N 3.33Å; I126-L128 PolarHBondContact O-N 3.04Å; I126-I129 PolarHBondContact O-N 2.98Å; I126-T130 PolarHBondContact O-N 2.93Å; I126-T130 PolarHBondContact O-OG1 3.43Å; I126-T130 VanDerWaalsContact O-OG1 3.06Å; I126-N175 WeakPolarHBondContact CD1-OD1 3.48Å; I126-F178 HydrophobicContact CB-CE2 4.4Å; I126-F178 HydrophobicContact CB-CZ 4.38Å; I126-F178 HydrophobicContact CG1-CE2 4.44Å; I126-F178 HydrophobicContact CG2-CE2 4.02Å; I126-F178 HydrophobicContact CG2-CZ 3.75Å; I126-F204 HydrophobicContact CG2-CE1 4.34Å; I126-F204 HydrophobicContact CG2-CZ 3.85Å |
| 127 | A | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S124 T130 M131 F209 | S124-A127 PolarHBondContact O-N 3.26Å; S124-A127 PolarHBondContact OG-N 2.95Å; S124-A127 VanDerWaalsContact OG-N 3.13Å; A127-T130 PolarHBondContact O-N 3.23Å; A127-M131 WeakPolarHBondContact O-CB 3.37Å; A127-M131 WeakPolarHBondContact O-CE 3.37Å; A127-M131 WeakPolarHBondContact O-CG 3.19Å; A127-M131 PolarHBondContact O-N 3.41Å; A127-F209 HydrophobicContact CB-CB 4.03Å; A127-F209 HydrophobicContact CB-CD1 4.21Å; A127-F209 VanDerWaalsContact CB-O 3.23Å; A127-F209 WeakPolarHBondContact CB-O 3.26Å |
| 128 | L | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.1 | -68.7 | 172.7 | 0 | 0 | 0 | 112.3 | Y123 S124 Y125 I126 M131 A132 I150 F154 Y157 | Y123-L128 HydrophobicContact CD2-CD2 4.38Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 2.93Å; Y125-L128 HydrophobicContact CD1-CD1 3.94Å; Y125-L128 HydrophobicContact CE1-CD1 4.38Å; Y125-L128 PolarHBondContact O-N 3.31Å; I126-L128 VanDerWaalsContact C-N 3.33Å; I126-L128 PolarHBondContact O-N 3.04Å; L128-M131 HydrophobicContact CD2-CE 4.1Å; L128-A132 PolarHBondContact O-N 2.85Å; L128-I150 HydrophobicContact CB-CD1 3.84Å; L128-I150 HydrophobicContact CB-CG1 4.17Å; L128-F154 HydrophobicContact CD2-CD2 3.68Å; L128-F154 HydrophobicContact CD2-CE2 3.3Å; L128-F154 HydrophobicContact CD2-CZ 3.93Å; L128-Y157 HydrophobicContact CD1-CE2 3.95Å |
| 129 | I | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -48 | 175 | -66.5 | 160.2 | 0 | 0 | 0 | 110.2 | Y125 I126 M131 A132 I133 I146 I168 N171 L172 F178 | Y125-I129 WeakPolarHBondContact O-CB 3.16Å; Y125-I129 WeakPolarHBondContact O-CD1 3.3Å; Y125-I129 WeakPolarHBondContact O-CG1 3.35Å; Y125-I129 PolarHBondContact O-N 2.86Å; I126-I129 PolarHBondContact O-N 2.98Å; I129-M131 PolarHBondContact O-N 2.9Å; I129-A132 WeakPolarHBondContact O-CB 3.21Å; I129-A132 PolarHBondContact O-N 3.28Å; I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 WeakPolarHBondContact O-CG1 3.45Å; I129-I133 PolarHBondContact O-N 3.28Å; I129-I146 HydrophobicContact CG1-CG2 4Å; I129-I146 HydrophobicContact CG2-CD1 4.33Å; I129-I168 HydrophobicContact CD1-CD1 4.38Å; I129-I168 HydrophobicContact CD1-CG2 4.36Å; I129-I168 HydrophobicContact CG1-CD1 4.17Å; I129-I168 HydrophobicContact CG1-CG2 4.29Å; I129-N171 HydrophobicContact CD1-CB 3.8Å; I129-L172 HydrophobicContact CD1-CD2 4.11Å; I129-L172 HydrophobicContact CD1-CG 4.02Å; I129-L172 HydrophobicContact CG1-CD2 4.49Å; I129-L172 HydrophobicContact CG2-CD2 3.65Å; I129-F178 HydrophobicContact CB-CE1 4.04Å; I129-F178 HydrophobicContact CB-CE2 4.16Å; I129-F178 HydrophobicContact CB-CZ 3.66Å; I129-F178 HydrophobicContact CD1-CD2 4.49Å; I129-F178 HydrophobicContact CD1-CE2 3.93Å; I129-F178 HydrophobicContact CD1-CZ 4.31Å; I129-F178 HydrophobicContact CG2-CD1 3.8Å; I129-F178 HydrophobicContact CG2-CD2 4.36Å; I129-F178 HydrophobicContact CG2-CE1 3.39Å; I129-F178 HydrophobicContact CG2-CE2 3.98Å; I129-F178 HydrophobicContact CG2-CG 4.28Å; I129-F178 HydrophobicContact CG2-CZ 3.48Å; I129-F178 VanDerWaalsContact CG2-CZ 3.48Å |
| 130 | T | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | -179.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | I126 A127 A132 I133 L134 L196 F204 | I126-T130 PolarHBondContact O-N 2.93Å; I126-T130 PolarHBondContact O-OG1 3.43Å; I126-T130 VanDerWaalsContact O-OG1 3.06Å; A127-T130 PolarHBondContact O-N 3.23Å; T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact O-N 3.44Å; T130-I133 PolarHBondContact O-N 2.85Å; T130-L134 HydrophobicContact CG2-CD1 3.56Å; T130-L134 HydrophobicContact CG2-CG 3.87Å; T130-L134 WeakPolarHBondContact O-CB 3.32Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.03Å; T130-L196 HydrophobicContact CG2-CD1 4.05Å; T130-L196 HydrophobicContact CG2-CD2 3.99Å; T130-F204 HydrophobicContact CG2-CB 3.8Å; T130-F204 HydrophobicContact CG2-CD1 4.2Å; T130-F204 HydrophobicContact CG2-CD2 3.79Å; T130-F204 HydrophobicContact CG2-CE2 4.4Å; T130-F204 HydrophobicContact CG2-CG 3.66Å |
| 131 | M | 95.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 173 | -78.8 | -173.8 | -80.6 | 0 | 0 | 112.8 | Y123 A127 L128 I129 Q135 F149 F154 F209 | Y123-M131 HydrophobicContact CD1-CE 4.16Å; Y123-M131 HydrophobicContact CD2-CE 3.85Å; Y123-M131 HydrophobicContact CE2-CE 4.23Å; Y123-M131 HydrophobicContact CG-CE 3.82Å; A127-M131 WeakPolarHBondContact O-CB 3.37Å; A127-M131 WeakPolarHBondContact O-CE 3.37Å; A127-M131 WeakPolarHBondContact O-CG 3.19Å; A127-M131 PolarHBondContact O-N 3.41Å; L128-M131 HydrophobicContact CD2-CE 4.1Å; I129-M131 PolarHBondContact O-N 2.9Å; M131-Q135 WeakPolarHBondContact O-CB 3.32Å; M131-Q135 WeakPolarHBondContact O-CG 3.42Å; M131-Q135 PolarHBondContact O-N 3.25Å; M131-F149 HydrophobicContact CB-CE1 4.12Å; M131-F149 HydrophobicContact CB-CZ 4.28Å; M131-F149 WeakPolarHBondContact O-CZ 3.33Å; M131-F154 HydrophobicContact CE-CE2 4.45Å; M131-F154 HydrophobicContact CE-CZ 4.19Å; M131-F209 HydrophobicContact CG-CD1 3.84Å; M131-F209 HydrophobicContact CG-CE1 3.61Å; M131-F209 HydrophobicContact CG-CG 4.41Å; M131-F209 HydrophobicContact CG-CZ 3.97Å; M131-F209 HydrophobicContact SD-CD1 4.43Å; M131-F209 HydrophobicContact SD-CG 4.44Å |
| 132 | A | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L128 I129 T130 S136 L141 I146 F149 | L128-A132 PolarHBondContact O-N 2.85Å; I129-A132 WeakPolarHBondContact O-CB 3.21Å; I129-A132 PolarHBondContact O-N 3.28Å; T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact O-N 3.44Å; A132-S136 PolarHBondContact O-N 2.79Å; A132-L141 HydrophobicContact CB-CD2 4.02Å; A132-I146 HydrophobicContact CB-CG1 4.44Å; A132-I146 HydrophobicContact CB-CG2 4.46Å; A132-F149 VanDerWaalsContact CA-CE1 3.48Å; A132-F149 HydrophobicContact CB-CB 4.03Å; A132-F149 HydrophobicContact CB-CD1 3.34Å; A132-F149 HydrophobicContact CB-CD2 4.34Å; A132-F149 HydrophobicContact CB-CE1 3.76Å; A132-F149 HydrophobicContact CB-CG 3.66Å; A132-F149 HydrophobicContact CB-CZ 4.39Å |
| 133 | I | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.2 | -48.8 | 179.7 | -65.4 | 175.1 | 0 | 0 | 0 | 110.8 | I129 T130 Q135 S136 K139 L141 F178 W194 L196 | I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 WeakPolarHBondContact O-CG1 3.45Å; I129-I133 PolarHBondContact O-N 3.28Å; T130-I133 PolarHBondContact O-N 2.85Å; I133-Q135 VanDerWaalsContact C-N 3.3Å; I133-Q135 PolarHBondContact O-N 3.21Å; I133-S136 WeakPolarHBondContact O-CB 3.09Å; I133-S136 PolarHBondContact O-N 2.79Å; I133-S136 PolarHBondContact O-OG 3.42Å; I133-K139 WeakPolarHBondContact CG2-O 3.39Å; I133-L141 HydrophobicContact CG1-CB 4.42Å; I133-F178 HydrophobicContact CD1-CD1 4.04Å; I133-F178 HydrophobicContact CD1-CE1 4.3Å; I133-W194 HydrophobicContact CD1-CB 4.42Å; I133-L196 HydrophobicContact CG2-CB 4.45Å |
| 134 | L | 94 | Very high | 95.5 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -30.4 | -177.9 | -68.7 | 178.6 | 0 | 0 | 0 | 113.2 | T130 S136 K139 L196 E201 F204 | T130-L134 HydrophobicContact CG2-CD1 3.56Å; T130-L134 HydrophobicContact CG2-CG 3.87Å; T130-L134 WeakPolarHBondContact O-CB 3.32Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.03Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-K139 HydrophobicContact CD2-CD 4.21Å; L134-K139 VanDerWaalsContact CD2-NZ 3.3Å; L134-L196 HydrophobicContact CD2-CD2 4.05Å; L134-E201 HydrophobicContact CD2-CG 4.17Å; L134-E201 VanDerWaalsContact CD2-OE1 3.3Å; L134-E201 WeakPolarHBondContact CD2-OE1 3.43Å; L134-F204 HydrophobicContact CD1-CB 4.31Å |
| 135 | Q | 94.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 43.2 Ų | 43.2 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.4 | 175.4 | -64.4 | -167 | -22.9 | 0 | 0 | 113.8 | M131 I133 F149 | M131-Q135 WeakPolarHBondContact O-CB 3.32Å; M131-Q135 WeakPolarHBondContact O-CG 3.42Å; M131-Q135 PolarHBondContact O-N 3.25Å; I133-Q135 VanDerWaalsContact C-N 3.3Å; I133-Q135 PolarHBondContact O-N 3.21Å; Q135-F149 HydrophobicContact CB-CE2 4.11Å; Q135-F149 HydrophobicContact CB-CZ 4.43Å |
| 136 | S | 95.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -81.1 | 138.9 | 171.2 | 77.2 | 0 | 0 | 0 | 0 | 110.6 | A132 I133 L134 Q138 K139 K140 | A132-S136 PolarHBondContact O-N 2.79Å; I133-S136 WeakPolarHBondContact O-CB 3.09Å; I133-S136 PolarHBondContact O-N 2.79Å; I133-S136 PolarHBondContact O-OG 3.42Å; L134-S136 VanDerWaalsContact C-N 3.34Å; S136-Q138 PolarHBondContact O-N 3.43Å; S136-Q138 VanDerWaalsContact O-N 3.09Å; S136-K139 PolarHBondContact O-N 2.85Å; S136-K139 VanDerWaalsContact O-N 3.1Å; S136-K139 WeakPolarHBondContact OG-CA 3.35Å; S136-K139 PolarHBondContact OG-N 2.8Å; S136-K140 PolarHBondContact OG-N 3.3Å; S136-K140 PolarHBondContact OG-O 3.19Å |
| 137 | P | 94.9 | Very high | 95.8 | Very high | 140 Ų | 140 | 39.1 Ų | 39.1 | 91% | 0.909 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15 | -176.2 | 27.4 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 138 | Q | 94.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 44.5 Ų | 44.5 | 58% | 0.584 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 8.9 | 178.4 | -63.5 | -172.3 | -12.5 | 0 | 0 | 113.2 | S136 K140 | S136-Q138 PolarHBondContact O-N 3.43Å; S136-Q138 VanDerWaalsContact O-N 3.09Å; Q138-K140 HydrophobicContact CB-CD 4.38Å; Q138-K140 HydrophobicContact CB-CG 3.87Å; Q138-K140 PolarHBondContact O-N 2.8Å |
| 139 | K | 95.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 49.1 | 26.1 | -173.9 | -64.5 | -73 | -164 | 133.1 | 0 | 113.8 | I133 L134 S136 E201 | I133-K139 WeakPolarHBondContact CG2-O 3.39Å; L134-K139 HydrophobicContact CD2-CD 4.21Å; L134-K139 VanDerWaalsContact CD2-NZ 3.3Å; S136-K139 PolarHBondContact O-N 2.85Å; S136-K139 VanDerWaalsContact O-N 3.1Å; S136-K139 WeakPolarHBondContact OG-CA 3.35Å; S136-K139 PolarHBondContact OG-N 2.8Å; K139-E201 IonicContact NZ-OE1 2.78Å; K139-E201 PolarHBondContact NZ-OE1 3.17Å |
| 140 | K | 95.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 136.7 | -177.7 | 75.7 | -170 | 177.2 | -174.8 | 0 | 110.2 | S136 Q138 Y193 W194 T195 | S136-K140 PolarHBondContact OG-N 3.3Å; S136-K140 PolarHBondContact OG-O 3.19Å; Q138-K140 HydrophobicContact CB-CD 4.38Å; Q138-K140 HydrophobicContact CB-CG 3.87Å; Q138-K140 PolarHBondContact O-N 2.8Å; K140-Y193 HydrophobicContact CB-CD1 4.42Å; K140-Y193 HydrophobicContact CD-CD1 4.26Å; K140-Y193 HydrophobicContact CD-CG 4.35Å; K140-Y193 HydrophobicContact CG-CD1 3.88Å; K140-Y193 HydrophobicContact CG-CE1 4.37Å; K140-Y193 HydrophobicContact CG-CG 4.37Å; K140-W194 WeakPolarHBondContact CA-O 3.48Å; K140-T195 HydrophobicContact CB-CG2 3.54Å |
| 141 | L | 96.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.1 | -177.4 | -148.7 | 69.4 | 0 | 0 | 0 | 111.8 | A132 I133 G145 I146 W194 | A132-L141 HydrophobicContact CB-CD2 4.02Å; I133-L141 HydrophobicContact CG1-CB 4.42Å; L141-G145 VanDerWaalsContact CD2-C 3.45Å; L141-I146 HydrophobicContact CB-CG1 4.04Å; L141-I146 HydrophobicContact CD2-CG1 3.85Å; L141-I146 HydrophobicContact CG-CG1 4.28Å; L141-W194 PolarHBondContact N-O 3.32Å; L141-W194 PolarHBondContact O-N 2.78Å |
| 142 | T | 97.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 157.8 | 173.5 | 70.6 | 0 | 0 | 0 | 0 | 110.5 | S144 G145 I146 Y193 | T142-S144 PolarHBondContact O-N 3.05Å; T142-S144 VanDerWaalsContact O-N 3.12Å; T142-G145 PolarHBondContact O-N 2.93Å; T142-G145 PolarHBondContact OG1-N 2.84Å; T142-I146 WeakPolarHBondContact O-CG1 3.3Å; T142-I146 PolarHBondContact O-N 2.83Å; T142-Y193 HydrophobicContact CG2-CD1 4.01Å; T142-Y193 HydrophobicContact CG2-CE1 3.91Å |
| 143 | L | 96.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -49.6 | -38.5 | 172.5 | 172 | 65.6 | 0 | 0 | 0 | 112.7 | I146 C147 I168 R169 L172 | L143-I146 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-N 3.01Å; L143-C147 VanDerWaalsContact O-N 3.15Å; L143-C147 PolarHBondContact O-SG 2.74Å; L143-I168 HydrophobicContact CD1-CG2 4.02Å; L143-R169 HydrophobicContact CD1-CG 3.77Å; L143-R169 HydrophobicContact CD2-CG 3.69Å; L143-R169 HydrophobicContact CG-CG 4.38Å; L143-L172 HydrophobicContact CD1-CD1 3.78Å |
| 144 | S | 96.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -48 | 178.8 | -156.3 | 0 | 0 | 0 | 0 | 111.2 | T142 I146 C147 E148 | T142-S144 PolarHBondContact O-N 3.05Å; T142-S144 VanDerWaalsContact O-N 3.12Å; S144-I146 VanDerWaalsContact C-N 3.32Å; S144-I146 PolarHBondContact O-N 3.26Å; S144-C147 PolarHBondContact O-N 2.7Å; S144-E148 WeakPolarHBondContact O-CB 3.34Å; S144-E148 PolarHBondContact O-N 2.67Å |
| 145 | G | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -32.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L141 T142 E148 F149 | L141-G145 VanDerWaalsContact CD2-C 3.45Å; T142-G145 PolarHBondContact O-N 2.93Å; T142-G145 PolarHBondContact OG1-N 2.84Å; G145-E148 PolarHBondContact O-N 2.85Å; G145-F149 VanDerWaalsContact O-CB 3.22Å; G145-F149 WeakPolarHBondContact O-CB 3.42Å; G145-F149 PolarHBondContact O-N 3.2Å |
| 146 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 175 | -65.3 | 166.6 | 0 | 0 | 0 | 110.3 | I129 A132 L141 T142 L143 S144 I150 I168 L172 W194 | I129-I146 HydrophobicContact CG1-CG2 4Å; I129-I146 HydrophobicContact CG2-CD1 4.33Å; A132-I146 HydrophobicContact CB-CG1 4.44Å; A132-I146 HydrophobicContact CB-CG2 4.46Å; L141-I146 HydrophobicContact CB-CG1 4.04Å; L141-I146 HydrophobicContact CD2-CG1 3.85Å; L141-I146 HydrophobicContact CG-CG1 4.28Å; T142-I146 WeakPolarHBondContact O-CG1 3.3Å; T142-I146 PolarHBondContact O-N 2.83Å; L143-I146 PolarHBondContact O-N 3.35Å; S144-I146 VanDerWaalsContact C-N 3.32Å; S144-I146 PolarHBondContact O-N 3.26Å; I146-I150 HydrophobicContact CG2-CD1 3.94Å; I146-I150 WeakPolarHBondContact O-CD1 3.47Å; I146-I150 VanDerWaalsContact O-CG1 3.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.21Å; I146-I150 VanDerWaalsContact O-N 3.11Å; I146-I168 HydrophobicContact CG2-CG2 3.79Å; I146-L172 HydrophobicContact CD1-CD1 4.03Å; I146-L172 HydrophobicContact CD1-CD2 4.04Å; I146-W194 HydrophobicContact CD1-CB 4.27Å |
| 147 | C | 96.2 | Very high | 95 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.081 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 174.1 | -69 | 0 | 0 | 0 | 0 | 111 | L143 S144 F149 I150 S151 W164 | L143-C147 PolarHBondContact O-N 3.01Å; L143-C147 VanDerWaalsContact O-N 3.15Å; L143-C147 PolarHBondContact O-SG 2.74Å; S144-C147 PolarHBondContact O-N 2.7Å; C147-F149 PolarHBondContact O-N 2.98Å; C147-I150 PolarHBondContact O-N 2.67Å; C147-S151 PolarHBondContact O-N 3.41Å; C147-S151 PolarHBondContact O-OG 2.96Å; C147-S151 VanDerWaalsContact O-OG 3.08Å; C147-W164 HydrophobicContact CB-CH2 3.97Å; C147-W164 HydrophobicContact CB-CZ3 4.35Å; C147-W164 WeakPolarHBondContact O-CH2 3.24Å |
| 148 | E | 96.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | -179.9 | -178.6 | 177.2 | 179.7 | 0 | 0 | 112.5 | S144 G145 I150 S151 N152 | S144-E148 WeakPolarHBondContact O-CB 3.34Å; S144-E148 PolarHBondContact O-N 2.67Å; G145-E148 PolarHBondContact O-N 2.85Å; E148-I150 VanDerWaalsContact C-N 3.34Å; E148-I150 PolarHBondContact O-N 3.07Å; E148-S151 WeakPolarHBondContact CA-OG 3.34Å; E148-S151 PolarHBondContact O-N 3.48Å; E148-S151 PolarHBondContact O-OG 3.39Å; E148-N152 WeakPolarHBondContact CG-ND2 3.18Å; E148-N152 VanDerWaalsContact O-CB 3.23Å; E148-N152 WeakPolarHBondContact O-CB 3.34Å; E148-N152 PolarHBondContact O-N 2.8Å; E148-N152 PolarHBondContact O-ND2 3.03Å; E148-N152 PolarHBondContact O-OD1 3.01Å |
| 149 | F | 96.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 56 Ų | 56 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57 | -46.1 | 175.2 | 175 | -86 | 0 | 0 | 0 | 111.7 | M131 A132 Q135 G145 C147 N152 R153 | M131-F149 HydrophobicContact CB-CE1 4.12Å; M131-F149 HydrophobicContact CB-CZ 4.28Å; M131-F149 WeakPolarHBondContact O-CZ 3.33Å; A132-F149 VanDerWaalsContact CA-CE1 3.48Å; A132-F149 HydrophobicContact CB-CB 4.03Å; A132-F149 HydrophobicContact CB-CD1 3.34Å; A132-F149 HydrophobicContact CB-CD2 4.34Å; A132-F149 HydrophobicContact CB-CE1 3.76Å; A132-F149 HydrophobicContact CB-CG 3.66Å; A132-F149 HydrophobicContact CB-CZ 4.39Å; Q135-F149 HydrophobicContact CB-CE2 4.11Å; Q135-F149 HydrophobicContact CB-CZ 4.43Å; G145-F149 VanDerWaalsContact O-CB 3.22Å; G145-F149 WeakPolarHBondContact O-CB 3.42Å; G145-F149 PolarHBondContact O-N 3.2Å; C147-F149 PolarHBondContact O-N 2.98Å; F149-N152 PolarHBondContact O-N 3.02Å; F149-R153 HydrophobicContact CE1-CB 4.45Å; F149-R153 VanDerWaalsContact CZ-NH1 3.35Å; F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 3.49Å |
| 150 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | -179.1 | -69.2 | 169.5 | 0 | 0 | 0 | 110.6 | L128 I146 C147 E148 N152 F154 Y157 W164 I168 | L128-I150 HydrophobicContact CB-CD1 3.84Å; L128-I150 HydrophobicContact CB-CG1 4.17Å; I146-I150 HydrophobicContact CG2-CD1 3.94Å; I146-I150 WeakPolarHBondContact O-CD1 3.47Å; I146-I150 VanDerWaalsContact O-CG1 3.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.21Å; I146-I150 VanDerWaalsContact O-N 3.11Å; C147-I150 PolarHBondContact O-N 2.67Å; E148-I150 VanDerWaalsContact C-N 3.34Å; E148-I150 PolarHBondContact O-N 3.07Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 2.8Å; I150-F154 WeakPolarHBondContact O-CB 3.39Å; I150-F154 PolarHBondContact O-N 2.9Å; I150-Y157 HydrophobicContact CG2-CD2 3.56Å; I150-Y157 HydrophobicContact CG2-CE2 4.07Å; I150-Y157 HydrophobicContact CG2-CG 3.81Å; I150-W164 HydrophobicContact CB-CH2 4.34Å; I150-W164 HydrophobicContact CB-CZ3 4.14Å; I150-W164 HydrophobicContact CG2-CH2 4.23Å; I150-W164 HydrophobicContact CG2-CZ3 3.88Å; I150-I168 HydrophobicContact CD1-CD1 3.54Å; I150-I168 HydrophobicContact CD1-CG1 4.22Å |
| 151 | S | 93.9 | Very high | 92.1 | Very high | 23 Ų | 23 | 63 Ų | 63 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | C147 E148 R158 | C147-S151 PolarHBondContact O-N 3.41Å; C147-S151 PolarHBondContact O-OG 2.96Å; C147-S151 VanDerWaalsContact O-OG 3.08Å; E148-S151 WeakPolarHBondContact CA-OG 3.34Å; E148-S151 PolarHBondContact O-N 3.48Å; E148-S151 PolarHBondContact O-OG 3.39Å; S151-R158 VanDerWaalsContact O-CG 3.23Å; S151-R158 WeakPolarHBondContact O-CG 3.36Å; S151-R158 PolarHBondContact O-NE 2.85Å |
| 152 | N | 94.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.4 | -44.2 | -179.9 | -70.5 | -8.9 | 0 | 0 | 0 | 111.2 | E148 F149 I150 R158 | E148-N152 WeakPolarHBondContact CG-ND2 3.18Å; E148-N152 VanDerWaalsContact O-CB 3.23Å; E148-N152 WeakPolarHBondContact O-CB 3.34Å; E148-N152 PolarHBondContact O-N 2.8Å; E148-N152 PolarHBondContact O-ND2 3.03Å; E148-N152 PolarHBondContact O-OD1 3.01Å; F149-N152 PolarHBondContact O-N 3.02Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 2.8Å; N152-R158 PolarHBondContact O-NH2 3.46Å |
| 153 | R | 93.9 | Very high | 91.2 | Very high | 113 Ų | 113 | 67 Ų | 67 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.4 | -35.3 | 179.7 | -171.9 | 67.6 | 168.8 | -79.1 | 2 | 113.5 | F149 | F149-R153 HydrophobicContact CE1-CB 4.45Å; F149-R153 VanDerWaalsContact CZ-NH1 3.35Å; F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 3.49Å |
| 154 | F | 92.7 | Very high | 91 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | trans | -128.7 | 98.1 | -171.6 | -59.7 | -72.2 | 0 | 0 | 0 | 111.3 | P121 Y123 L128 M131 I150 Y156 Y157 | P121-F154 HydrophobicContact CB-CD1 4.01Å; P121-F154 HydrophobicContact CB-CE1 4.13Å; P121-F154 HydrophobicContact CG-CB 3.98Å; P121-F154 HydrophobicContact CG-CD1 3.45Å; P121-F154 VanDerWaalsContact CG-CD1 3.45Å; P121-F154 HydrophobicContact CG-CE1 4.08Å; P121-F154 HydrophobicContact CG-CG 3.81Å; Y123-F154 HydrophobicContact CD2-CE1 4.09Å; Y123-F154 AromaticContact CD2-CZ 3.91Å; Y123-F154 HydrophobicContact CD2-CZ 3.91Å; Y123-F154 HydrophobicContact CE2-CE1 4.01Å; Y123-F154 HydrophobicContact CE2-CZ 4.01Å; L128-F154 HydrophobicContact CD2-CD2 3.68Å; L128-F154 HydrophobicContact CD2-CE2 3.3Å; L128-F154 HydrophobicContact CD2-CZ 3.93Å; M131-F154 HydrophobicContact CE-CE2 4.45Å; M131-F154 HydrophobicContact CE-CZ 4.19Å; I150-F154 WeakPolarHBondContact O-CB 3.39Å; I150-F154 PolarHBondContact O-N 2.9Å; F154-Y156 PolarHBondContact O-N 2.98Å; F154-Y156 VanDerWaalsContact O-N 3.08Å; F154-Y157 HydrophobicContact CB-CD2 3.88Å; F154-Y157 HydrophobicContact CB-CE2 4.38Å; F154-Y157 PolarHBondContact O-N 3.35Å | ||
| 155 | P | 91.5 | Very high | 91 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -53.9 | -33.6 | -173.5 | -27.9 | 35 | 0 | 0 | 0 | 115.1 | Y157 R158 | P155-Y157 PolarHBondContact O-N 3.19Å; P155-R158 WeakPolarHBondContact O-CB 3.5Å; P155-R158 PolarHBondContact O-N 2.9Å |
| 156 | Y | 91.1 | Very high | 91 | Very high | 56 Ų | 56 | 68 Ų | 68 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -42.3 | -34.4 | 171.3 | 176.5 | -102 | 0 | 0 | 0 | 115.1 | S117 L118 K120 F154 K160 | S117-Y156 PolarHBondContact O-N 3.09Å; L118-Y156 VanDerWaalsContact O-CD2 3.28Å; L118-Y156 WeakPolarHBondContact O-CD2 3.4Å; K120-Y156 HydrophobicContact CB-CD1 4.32Å; K120-Y156 HydrophobicContact CB-CD2 4.36Å; K120-Y156 HydrophobicContact CB-CE1 3.87Å; K120-Y156 HydrophobicContact CB-CE2 3.9Å; K120-Y156 HydrophobicContact CD-CE1 4.24Å; K120-Y156 HydrophobicContact CG-CD1 4.26Å; K120-Y156 HydrophobicContact CG-CE1 3.67Å; F154-Y156 PolarHBondContact O-N 2.98Å; F154-Y156 VanDerWaalsContact O-N 3.08Å; Y156-K160 VanDerWaalsContact O-CG 3.31Å; Y156-K160 WeakPolarHBondContact O-CG 3.38Å |
| 157 | Y | 92.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -90.1 | -2.7 | -177.9 | -68.1 | -74.8 | 0 | 0 | 0 | 114.7 | P121 Y125 L128 I150 F154 P155 W164 | P121-Y157 HydrophobicContact CG-CE2 4.24Å; Y125-Y157 HydrophobicContact CE1-CE1 4.06Å; L128-Y157 HydrophobicContact CD1-CE2 3.95Å; I150-Y157 HydrophobicContact CG2-CD2 3.56Å; I150-Y157 HydrophobicContact CG2-CE2 4.07Å; I150-Y157 HydrophobicContact CG2-CG 3.81Å; F154-Y157 HydrophobicContact CB-CD2 3.88Å; F154-Y157 HydrophobicContact CB-CE2 4.38Å; F154-Y157 PolarHBondContact O-N 3.35Å; P155-Y157 PolarHBondContact O-N 3.19Å; Y157-W164 HydrophobicContact CD1-CB 4.04Å; Y157-W164 AromaticContact CD1-CD2 3.73Å; Y157-W164 HydrophobicContact CD1-CD2 3.73Å; Y157-W164 HydrophobicContact CD1-CE3 4.05Å; Y157-W164 AromaticContact CD1-CG 3.73Å; Y157-W164 HydrophobicContact CD1-CG 3.73Å; Y157-W164 HydrophobicContact CE1-CB 4.19Å; Y157-W164 HydrophobicContact CE1-CG 4.36Å; Y157-W164 HydrophobicContact CG-CD2 4.38Å; Y157-W164 WeakPolarHBondContact O-CZ2 3.37Å; Y157-W164 PolarHBondContact O-NE1 2.78Å |
| 158 | R | 90.6 | Very high | 90.9 | Very high | 138 Ų | 138 | 68.8 Ų | 68.8 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -50.6 | 179.1 | -61.7 | 176.3 | -170.3 | 160.3 | 3.6 | 112.5 | S151 N152 P155 K160 | S151-R158 VanDerWaalsContact O-CG 3.23Å; S151-R158 WeakPolarHBondContact O-CG 3.36Å; S151-R158 PolarHBondContact O-NE 2.85Å; N152-R158 PolarHBondContact O-NH2 3.46Å; P155-R158 WeakPolarHBondContact O-CB 3.5Å; P155-R158 PolarHBondContact O-N 2.9Å; R158-K160 VanDerWaalsContact C-N 3.35Å |
| 159 | E | 81.2 | Confident | 91 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -84.1 | -11.6 | -172.5 | -66.9 | 161.6 | -152.1 | 0 | 0 | 112.9 | L118 | L118-E159 WeakPolarHBondContact CD2-OE2 3.38Š|
| 160 | K | 74.4 | Confident | 91 | Very high | 118 Ų | 118 | 71 Ų | 71 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -86.1 | 123.2 | 176.2 | -59.4 | -57.6 | 179.1 | -166.5 | 0 | 110 | Y156 R158 W164 | Y156-K160 VanDerWaalsContact O-CG 3.31Å; Y156-K160 WeakPolarHBondContact O-CG 3.38Å; R158-K160 VanDerWaalsContact C-N 3.35Å; K160-W164 PolarHBondContact O-NE1 2.92Å |
| 161 | F | 72 | Confident | 91.1 | Very high | 183 Ų | 183 | 72.2 Ų | 72.2 | 80% | 0.803 | 35% | 0.35 | S | S | * | . | trans | -41.6 | 149.8 | 170.8 | -73.5 | -80.8 | 0 | 0 | 0 | 112.5 | A163 | F161-A163 PolarHBondContact O-N 3.15Š| ||
| 162 | P | 84.8 | Confident | 91.2 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 13.8 | -163.4 | 26.5 | -36.5 | 0 | 0 | 0 | 116.8 | W164 Q165 | P162-W164 PolarHBondContact O-N 3.29Å; P162-Q165 HydrophobicContact CB-CG 4.11Å; P162-Q165 VanDerWaalsContact O-CB 3.29Å; P162-Q165 WeakPolarHBondContact O-CB 3.34Å; P162-Q165 PolarHBondContact O-N 3.45Å |
| 163 | A | 90.2 | Very high | 91.3 | Very high | 78 Ų | 78 | 71 Ų | 71 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -52.7 | -38.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F161 Q165 N166 S167 | F161-A163 PolarHBondContact O-N 3.15Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.84Å; A163-N166 VanDerWaalsContact O-CB 3.22Å; A163-N166 WeakPolarHBondContact O-CB 3.27Å; A163-N166 PolarHBondContact O-N 2.83Å; A163-S167 PolarHBondContact O-N 3.43Å |
| 164 | W | 93.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 177.1 | 68.6 | -96.5 | 0 | 0 | 0 | 112.8 | C147 I150 Y157 K160 P162 N166 S167 I168 | C147-W164 HydrophobicContact CB-CH2 3.97Å; C147-W164 HydrophobicContact CB-CZ3 4.35Å; C147-W164 WeakPolarHBondContact O-CH2 3.24Å; I150-W164 HydrophobicContact CB-CH2 4.34Å; I150-W164 HydrophobicContact CB-CZ3 4.14Å; I150-W164 HydrophobicContact CG2-CH2 4.23Å; I150-W164 HydrophobicContact CG2-CZ3 3.88Å; Y157-W164 HydrophobicContact CD1-CB 4.04Å; Y157-W164 AromaticContact CD1-CD2 3.73Å; Y157-W164 HydrophobicContact CD1-CD2 3.73Å; Y157-W164 HydrophobicContact CD1-CE3 4.05Å; Y157-W164 AromaticContact CD1-CG 3.73Å; Y157-W164 HydrophobicContact CD1-CG 3.73Å; Y157-W164 HydrophobicContact CE1-CB 4.19Å; Y157-W164 HydrophobicContact CE1-CG 4.36Å; Y157-W164 HydrophobicContact CG-CD2 4.38Å; Y157-W164 WeakPolarHBondContact O-CZ2 3.37Å; Y157-W164 PolarHBondContact O-NE1 2.78Å; K160-W164 PolarHBondContact O-NE1 2.92Å; P162-W164 PolarHBondContact O-N 3.29Å; W164-N166 PolarHBondContact O-N 2.83Å; W164-S167 WeakPolarHBondContact CA-OG 3.3Å; W164-S167 PolarHBondContact O-N 2.87Å; W164-S167 VanDerWaalsContact O-N 3.14Å; W164-S167 PolarHBondContact O-OG 3.23Å; W164-I168 HydrophobicContact CE3-CG1 3.88Å; W164-I168 HydrophobicContact CZ3-CG1 3.96Å; W164-I168 PolarHBondContact O-N 3.06Å; W164-I168 VanDerWaalsContact O-N 3.08Å |
| 165 | Q | 95.5 | Very high | 91.3 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 173.8 | -54.2 | -178.8 | -2.6 | 0 | 0 | 111.5 | P162 A163 I168 R169 | P162-Q165 HydrophobicContact CB-CG 4.11Å; P162-Q165 VanDerWaalsContact O-CB 3.29Å; P162-Q165 WeakPolarHBondContact O-CB 3.34Å; P162-Q165 PolarHBondContact O-N 3.45Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.84Å; Q165-I168 PolarHBondContact O-N 3.24Å; Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 2.86Å |
| 166 | N | 95.7 | Very high | 91.4 | Very high | 94 Ų | 94 | 69.1 Ų | 69.1 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 172.7 | -152.6 | 48.5 | 0 | 0 | 0 | 111.5 | A163 W164 I168 R169 H170 | A163-N166 VanDerWaalsContact O-CB 3.22Å; A163-N166 WeakPolarHBondContact O-CB 3.27Å; A163-N166 PolarHBondContact O-N 2.83Å; W164-N166 PolarHBondContact O-N 2.83Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.36Å; N166-R169 PolarHBondContact O-N 3.25Å; N166-R169 PolarHBondContact OD1-NE 3.04Å; N166-R169 PolarHBondContact OD1-NH2 2.93Å; N166-H170 WeakPolarHBondContact O-CB 3.45Å; N166-H170 PolarHBondContact O-N 3.41Å |
| 167 | S | 95.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -30.1 | 171.4 | 41.2 | 0 | 0 | 0 | 0 | 113.3 | Y125 A163 W164 N171 | Y125-S167 WeakPolarHBondContact CE2-OG 3.39Å; Y125-S167 PolarHBondContact OH-OG 2.97Å; A163-S167 PolarHBondContact O-N 3.43Å; W164-S167 WeakPolarHBondContact CA-OG 3.3Å; W164-S167 PolarHBondContact O-N 2.87Å; W164-S167 VanDerWaalsContact O-N 3.14Å; W164-S167 PolarHBondContact O-OG 3.23Å; S167-N171 WeakPolarHBondContact O-CB 3.25Å; S167-N171 PolarHBondContact O-N 3.12Å; S167-N171 PolarHBondContact O-ND2 3.04Å |
| 168 | I | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -51.9 | 170.5 | -61.5 | -59.4 | 0 | 0 | 0 | 111 | Y125 I129 L143 I146 I150 W164 Q165 N166 H170 N171 L172 | Y125-I168 HydrophobicContact CD1-CD1 3.6Å; Y125-I168 HydrophobicContact CE1-CD1 4.33Å; Y125-I168 HydrophobicContact CG-CD1 4.25Å; I129-I168 HydrophobicContact CD1-CD1 4.38Å; I129-I168 HydrophobicContact CD1-CG2 4.36Å; I129-I168 HydrophobicContact CG1-CD1 4.17Å; I129-I168 HydrophobicContact CG1-CG2 4.29Å; L143-I168 HydrophobicContact CD1-CG2 4.02Å; I146-I168 HydrophobicContact CG2-CG2 3.79Å; I150-I168 HydrophobicContact CD1-CD1 3.54Å; I150-I168 HydrophobicContact CD1-CG1 4.22Å; W164-I168 HydrophobicContact CE3-CG1 3.88Å; W164-I168 HydrophobicContact CZ3-CG1 3.96Å; W164-I168 PolarHBondContact O-N 3.06Å; W164-I168 VanDerWaalsContact O-N 3.08Å; Q165-I168 PolarHBondContact O-N 3.24Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.36Å; I168-H170 VanDerWaalsContact C-N 3.3Å; I168-H170 PolarHBondContact O-N 3.48Å; I168-N171 PolarHBondContact O-N 2.94Å; I168-N171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 4.03Å; I168-L172 WeakPolarHBondContact O-CG 3.26Å; I168-L172 PolarHBondContact O-N 3.43Å |
| 169 | R | 97 | Very high | 91.9 | Very high | 101 Ų | 101 | 62.9 Ų | 62.9 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.8 | -48.6 | 176 | -72.7 | -175.9 | -66.9 | -95.4 | 10.6 | 111.7 | L143 Q165 N166 L172 S173 | L143-R169 HydrophobicContact CD1-CG 3.77Å; L143-R169 HydrophobicContact CD2-CG 3.69Å; L143-R169 HydrophobicContact CG-CG 4.38Å; Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 2.86Å; N166-R169 PolarHBondContact O-N 3.25Å; N166-R169 PolarHBondContact OD1-NE 3.04Å; N166-R169 PolarHBondContact OD1-NH2 2.93Å; R169-L172 PolarHBondContact O-N 3.44Å; R169-S173 PolarHBondContact O-N 2.84Å; R169-S173 PolarHBondContact O-OG 3.28Å |
| 170 | H | 97.2 | Very high | 92.7 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.9 | 171.5 | 74.3 | 0 | 0 | 0 | 112.7 | N166 I168 L172 S173 L174 | N166-H170 WeakPolarHBondContact O-CB 3.45Å; N166-H170 PolarHBondContact O-N 3.41Å; I168-H170 VanDerWaalsContact C-N 3.3Å; I168-H170 PolarHBondContact O-N 3.48Å; H170-L172 VanDerWaalsContact C-N 3.34Å; H170-L172 PolarHBondContact O-N 3.47Å; H170-S173 PolarHBondContact O-N 2.99Å; H170-S173 PolarHBondContact O-OG 3Å; H170-S173 VanDerWaalsContact O-OG 3.05Å; H170-L174 VanDerWaalsContact CE1-CD1 3.44Å; H170-L174 WeakPolarHBondContact CE1-CD1 3.46Å; H170-L174 WeakPolarHBondContact NE2-CD1 3.45Å; H170-L174 WeakPolarHBondContact O-CB 3.41Å; H170-L174 PolarHBondContact O-N 2.95Å |
| 171 | N | 97.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -33.1 | 179.8 | -87.8 | -96.8 | 0 | 0 | 0 | 113 | I129 S167 I168 N175 | I129-N171 HydrophobicContact CD1-CB 3.8Å; S167-N171 WeakPolarHBondContact O-CB 3.25Å; S167-N171 PolarHBondContact O-N 3.12Å; S167-N171 PolarHBondContact O-ND2 3.04Å; I168-N171 PolarHBondContact O-N 2.94Å; I168-N171 VanDerWaalsContact O-N 3.16Å; N171-N175 PolarHBondContact O-N 3.3Å; N171-N175 VanDerWaalsContact O-N 3.17Å; N171-N175 PolarHBondContact O-ND2 3.46Å; N171-N175 PolarHBondContact OD1-ND2 3.44Å |
| 172 | L | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 173.7 | -72.2 | 167.1 | 0 | 0 | 0 | 112 | I129 L143 I146 I168 R169 H170 F178 W194 | I129-L172 HydrophobicContact CD1-CD2 4.11Å; I129-L172 HydrophobicContact CD1-CG 4.02Å; I129-L172 HydrophobicContact CG1-CD2 4.49Å; I129-L172 HydrophobicContact CG2-CD2 3.65Å; L143-L172 HydrophobicContact CD1-CD1 3.78Å; I146-L172 HydrophobicContact CD1-CD1 4.03Å; I146-L172 HydrophobicContact CD1-CD2 4.04Å; I168-L172 HydrophobicContact CG2-CD1 4.03Å; I168-L172 WeakPolarHBondContact O-CG 3.26Å; I168-L172 PolarHBondContact O-N 3.43Å; R169-L172 PolarHBondContact O-N 3.44Å; H170-L172 VanDerWaalsContact C-N 3.34Å; H170-L172 PolarHBondContact O-N 3.47Å; L172-F178 HydrophobicContact CD2-CB 4.06Å; L172-F178 HydrophobicContact CD2-CD2 4.17Å; L172-F178 HydrophobicContact CD2-CG 4Å; L172-W194 HydrophobicContact CB-CD2 4.15Å; L172-W194 HydrophobicContact CB-CE3 4.11Å; L172-W194 HydrophobicContact CB-CH2 3.89Å; L172-W194 HydrophobicContact CB-CZ2 3.95Å; L172-W194 HydrophobicContact CB-CZ3 3.97Å; L172-W194 HydrophobicContact CD1-CD2 4.32Å; L172-W194 HydrophobicContact CD1-CG 4.36Å; L172-W194 HydrophobicContact CD2-CB 4.15Å; L172-W194 HydrophobicContact CD2-CD2 3.85Å; L172-W194 HydrophobicContact CD2-CE3 4.01Å; L172-W194 HydrophobicContact CD2-CG 3.92Å; L172-W194 HydrophobicContact CG-CD2 4.34Å; L172-W194 VanDerWaalsContact O-CZ3 3.26Å; L172-W194 WeakPolarHBondContact O-CZ3 3.48Å |
| 173 | S | 95.8 | Very high | 95 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -77.3 | -25 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | R169 H170 | R169-S173 PolarHBondContact O-N 2.84Å; R169-S173 PolarHBondContact O-OG 3.28Å; H170-S173 PolarHBondContact O-N 2.99Å; H170-S173 PolarHBondContact O-OG 3Å; H170-S173 VanDerWaalsContact O-OG 3.05Å |
| 174 | L | 94.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -84.4 | -36.6 | -175.5 | -177.4 | 147.3 | 0 | 0 | 0 | 112.9 | H170 R215 | H170-L174 VanDerWaalsContact CE1-CD1 3.44Å; H170-L174 WeakPolarHBondContact CE1-CD1 3.46Å; H170-L174 WeakPolarHBondContact NE2-CD1 3.45Å; H170-L174 WeakPolarHBondContact O-CB 3.41Å; H170-L174 PolarHBondContact O-N 2.95Å; L174-R215 PolarHBondContact O-NH2 2.81Å |
| 175 | N | 93.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | trans | -103.3 | 124.1 | -168.8 | -62.3 | -79.4 | 0 | 0 | 0 | 112.8 | I126 N171 C177 F178 | I126-N175 WeakPolarHBondContact CD1-OD1 3.48Å; N171-N175 PolarHBondContact O-N 3.3Å; N171-N175 VanDerWaalsContact O-N 3.17Å; N171-N175 PolarHBondContact O-ND2 3.46Å; N171-N175 PolarHBondContact OD1-ND2 3.44Å; N175-C177 PolarHBondContact O-N 3.39Å; N175-F178 HydrophobicContact CB-CD2 4.14Å; N175-F178 HydrophobicContact CB-CE2 4.36Å; N175-F178 PolarHBondContact O-N 3.4Å | ||
| 176 | D | 92.5 | Very high | 93.7 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.9 | -179.4 | -36.7 | 15.8 | 0 | 0 | 0 | 113.3 | F178 R215 F216 K217 R218 | D176-F178 PolarHBondContact O-N 3.5Å; D176-R215 IonicContact OD1-CZ 3.43Å; D176-R215 IonicContact OD1-NH1 3.18Å; D176-R215 PolarHBondContact OD1-NH1 3.19Å; D176-R215 IonicContact OD1-NH2 3.62Å; D176-R215 PolarHBondContact OD1-NH2 2.76Å; D176-R215 IonicContact OD2-NH1 2.74Å; D176-F216 HydrophobicContact CB-CD1 4.01Å; D176-F216 HydrophobicContact CB-CE1 4.07Å; D176-K217 VanDerWaalsContact OD2-CA 3.25Å; D176-K217 WeakPolarHBondContact OD2-CA 3.23Å; D176-R218 HydrophobicContact CB-CB 4.08Å; D176-R218 PolarHBondContact OD2-N 3.22Å |
| 177 | C | 93.5 | Very high | 93 | Very high | 7 Ų | 7 | 63 Ų | 63 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.9 | 174 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | N175 L196 D197 F216 | N175-C177 PolarHBondContact O-N 3.39Å; C177-L196 HydrophobicContact CB-CD1 4.37Å; C177-L196 CarbonylContact O-C 3.48Å; C177-L196 WeakPolarHBondContact O-CA 3.4Å; C177-D197 PolarHBondContact O-N 3.22Å; C177-F216 HydrophobicContact CB-CD1 4.49Å; C177-F216 WeakPolarHBondContact SG-CD1 3.25Å |
| 178 | F | 95.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 112 | -175.6 | -57.2 | -52.7 | 0 | 0 | 0 | 111.3 | I126 I129 I133 L172 N175 D176 W194 T195 L196 | I126-F178 HydrophobicContact CB-CE2 4.4Å; I126-F178 HydrophobicContact CB-CZ 4.38Å; I126-F178 HydrophobicContact CG1-CE2 4.44Å; I126-F178 HydrophobicContact CG2-CE2 4.02Å; I126-F178 HydrophobicContact CG2-CZ 3.75Å; I129-F178 HydrophobicContact CB-CE1 4.04Å; I129-F178 HydrophobicContact CB-CE2 4.16Å; I129-F178 HydrophobicContact CB-CZ 3.66Å; I129-F178 HydrophobicContact CD1-CD2 4.49Å; I129-F178 HydrophobicContact CD1-CE2 3.93Å; I129-F178 HydrophobicContact CD1-CZ 4.31Å; I129-F178 HydrophobicContact CG2-CD1 3.8Å; I129-F178 HydrophobicContact CG2-CD2 4.36Å; I129-F178 HydrophobicContact CG2-CE1 3.39Å; I129-F178 HydrophobicContact CG2-CE2 3.98Å; I129-F178 HydrophobicContact CG2-CG 4.28Å; I129-F178 HydrophobicContact CG2-CZ 3.48Å; I129-F178 VanDerWaalsContact CG2-CZ 3.48Å; I133-F178 HydrophobicContact CD1-CD1 4.04Å; I133-F178 HydrophobicContact CD1-CE1 4.3Å; L172-F178 HydrophobicContact CD2-CB 4.06Å; L172-F178 HydrophobicContact CD2-CD2 4.17Å; L172-F178 HydrophobicContact CD2-CG 4Å; N175-F178 HydrophobicContact CB-CD2 4.14Å; N175-F178 HydrophobicContact CB-CE2 4.36Å; N175-F178 PolarHBondContact O-N 3.4Å; D176-F178 PolarHBondContact O-N 3.5Å; F178-W194 HydrophobicContact CB-CE3 4.08Å; F178-W194 HydrophobicContact CB-CZ3 4.43Å; F178-T195 WeakPolarHBondContact CA-O 3.43Å; F178-L196 HydrophobicContact CD1-CD1 4.12Å; F178-L196 HydrophobicContact CE1-CD1 3.8Å |
| 179 | V | 96.1 | Very high | 91.6 | Very high | 49 Ų | 49 | 70 Ų | 70 | 30% | 0.297 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.3 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | I181 W194 T195 D197 | V179-I181 HydrophobicContact CB-CD1 4.41Å; V179-I181 HydrophobicContact CG1-CD1 3.8Å; V179-I181 PolarHBondContact O-N 3.4Å; V179-W194 WeakPolarHBondContact O-CA 3.42Å; V179-T195 PolarHBondContact N-O 3.39Å; V179-T195 PolarHBondContact O-N 2.9Å; V179-D197 HydrophobicContact CG2-CB 3.9Å |
| 180 | K | 96.6 | Very high | 91.2 | Very high | 124 Ų | 124 | 74.5 Ų | 74.5 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 109.2 | 173.5 | 174.8 | -169 | 156.6 | -166.8 | 0 | 109.4 | N192 W194 | K180-N192 HydrophobicContact CG-CB 3.91Å; K180-W194 HydrophobicContact CB-CE3 4.11Å; K180-W194 HydrophobicContact CB-CH2 3.94Å; K180-W194 HydrophobicContact CB-CZ2 4.36Å; K180-W194 HydrophobicContact CB-CZ3 3.8Å |
| 181 | I | 95.2 | Very high | 90.9 | Very high | 62 Ų | 62 | 71.9 Ų | 71.9 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.5 | 176.6 | -55.3 | -58.5 | 0 | 0 | 0 | 109.4 | V179 Y193 T195 | V179-I181 HydrophobicContact CB-CD1 4.41Å; V179-I181 HydrophobicContact CG1-CD1 3.8Å; V179-I181 PolarHBondContact O-N 3.4Å; I181-Y193 PolarHBondContact N-O 3.36Å; I181-Y193 PolarHBondContact O-N 2.64Å; I181-T195 HydrophobicContact CG1-CG2 3.75Å; I181-T195 WeakPolarHBondContact CG1-OG1 3.23Å |
| 182 | P | 93.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 60% | 0.597 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 155.7 | 175.7 | 28.2 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 183 | R | 90.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 76 Ų | 76 | 25% | 0.249 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 147.8 | 168.6 | -72.3 | -173.7 | 175.5 | -103.7 | 5.4 | 110.3 | G189 K190 G191 Y193 | R183-G189 VanDerWaalsContact CD-O 3.27Å; R183-G189 WeakPolarHBondContact CD-O 3.36Å; R183-G189 PolarHBondContact NE-O 3.04Å; R183-K190 PolarHBondContact NH2-O 3.46Å; R183-G191 WeakPolarHBondContact CD-O 3.38Å; R183-G191 PolarHBondContact NE-O 2.68Å; R183-Y193 HydrophobicContact CG-CD2 4.07Å; R183-Y193 HydrophobicContact CG-CE2 3.94Å |
| 184 | E | 88.5 | Confident | 90.9 | Very high | 128 Ų | 128 | 73.6 Ų | 73.6 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -63 | 141.2 | 165.4 | -69.8 | 166.9 | -161.1 | 0 | 0 | 110.4 | G186 N187 | E184-G186 PolarHBondContact O-N 3.21Å; E184-G186 VanDerWaalsContact O-N 3.14Å; E184-N187 PolarHBondContact O-N 3.43Å |
| 185 | P | 82.3 | Confident | 91 | Very high | 140 Ų | 140 | 71.4 Ų | 71.4 | 91% | 0.909 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -21.2 | -172.4 | 25 | -34.4 | 0 | 0 | 0 | 114 | N187 | P185-N187 VanDerWaalsContact C-N 3.28Å; P185-N187 PolarHBondContact O-N 3.07Å |
| 186 | G | 82.8 | Confident | 91.1 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -5.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E184 P188 | E184-G186 PolarHBondContact O-N 3.21Å; E184-G186 VanDerWaalsContact O-N 3.14Å; G186-P188 WeakPolarHBondContact O-CD 3.22Å |
| 187 | N | 80.6 | Confident | 91.2 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | trans | -116.8 | 76.3 | -173.6 | -82.4 | -73.5 | 0 | 0 | 0 | 112 | E184 P185 G189 | E184-N187 PolarHBondContact O-N 3.43Å; P185-N187 VanDerWaalsContact C-N 3.28Å; P185-N187 PolarHBondContact O-N 3.07Å; N187-G189 PolarHBondContact O-N 3.39Å | ||
| 188 | P | 76.3 | Confident | 91.1 | Very high | 136 Ų | 136 | 73.4 Ų | 73.4 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | trans | -68.3 | 91.2 | -177.4 | 29.2 | -35.9 | 0 | 0 | 0 | 111.5 | G186 | G186-P188 WeakPolarHBondContact O-CD 3.22Š| ||
| 189 | G | 86.5 | Confident | 90.7 | Very high | 39 Ų | 39 | 76.1 Ų | 76.1 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | trans | -141 | 156.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | R183 N187 G191 | R183-G189 VanDerWaalsContact CD-O 3.27Å; R183-G189 WeakPolarHBondContact CD-O 3.36Å; R183-G189 PolarHBondContact NE-O 3.04Å; N187-G189 PolarHBondContact O-N 3.39Å; G189-G191 PolarHBondContact O-N 3.13Å | ||
| 190 | K | 88.5 | Confident | 90.3 | Very high | 195 Ų | 195 | 73.9 Ų | 73.9 | 85% | 0.848 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -65.8 | 133.2 | -174.9 | -169.3 | 172.7 | -177 | 174.4 | 0 | 112.2 | R183 | R183-K190 PolarHBondContact NH2-O 3.46Š|
| 191 | G | 92.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 69.7 | 178.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | R183 G189 | R183-G191 WeakPolarHBondContact CD-O 3.38Å; R183-G191 PolarHBondContact NE-O 2.68Å; G189-G191 PolarHBondContact O-N 3.13Å |
| 192 | N | 95.1 | Very high | 89.3 | Confident | 60 Ų | 60 | 73 Ų | 73 | 32% | 0.321 | 44% | 0.436 | S | S | . | . | trans | -95.5 | 164.6 | 177.1 | -64.3 | -87.5 | 0 | 0 | 0 | 110.7 | K180 | K180-N192 HydrophobicContact CG-CB 3.91Š| ||
| 193 | Y | 96.4 | Very high | 88.8 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 21% | 0.212 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 152.8 | 165.7 | -71.5 | -79.2 | 0 | 0 | 0 | 110.1 | K140 T142 I181 R183 | K140-Y193 HydrophobicContact CB-CD1 4.42Å; K140-Y193 HydrophobicContact CD-CD1 4.26Å; K140-Y193 HydrophobicContact CD-CG 4.35Å; K140-Y193 HydrophobicContact CG-CD1 3.88Å; K140-Y193 HydrophobicContact CG-CE1 4.37Å; K140-Y193 HydrophobicContact CG-CG 4.37Å; T142-Y193 HydrophobicContact CG2-CD1 4.01Å; T142-Y193 HydrophobicContact CG2-CE1 3.91Å; I181-Y193 PolarHBondContact N-O 3.36Å; I181-Y193 PolarHBondContact O-N 2.64Å; R183-Y193 HydrophobicContact CG-CD2 4.07Å; R183-Y193 HydrophobicContact CG-CE2 3.94Å |
| 194 | W | 97.6 | Very high | 88.3 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.2 | 170.4 | -65.7 | 91.3 | 0 | 0 | 0 | 108.5 | I133 K140 L141 I146 L172 F178 V179 K180 | I133-W194 HydrophobicContact CD1-CB 4.42Å; K140-W194 WeakPolarHBondContact CA-O 3.48Å; L141-W194 PolarHBondContact N-O 3.32Å; L141-W194 PolarHBondContact O-N 2.78Å; I146-W194 HydrophobicContact CD1-CB 4.27Å; L172-W194 HydrophobicContact CB-CD2 4.15Å; L172-W194 HydrophobicContact CB-CE3 4.11Å; L172-W194 HydrophobicContact CB-CH2 3.89Å; L172-W194 HydrophobicContact CB-CZ2 3.95Å; L172-W194 HydrophobicContact CB-CZ3 3.97Å; L172-W194 HydrophobicContact CD1-CD2 4.32Å; L172-W194 HydrophobicContact CD1-CG 4.36Å; L172-W194 HydrophobicContact CD2-CB 4.15Å; L172-W194 HydrophobicContact CD2-CD2 3.85Å; L172-W194 HydrophobicContact CD2-CE3 4.01Å; L172-W194 HydrophobicContact CD2-CG 3.92Å; L172-W194 HydrophobicContact CG-CD2 4.34Å; L172-W194 VanDerWaalsContact O-CZ3 3.26Å; L172-W194 WeakPolarHBondContact O-CZ3 3.48Å; F178-W194 HydrophobicContact CB-CE3 4.08Å; F178-W194 HydrophobicContact CB-CZ3 4.43Å; V179-W194 WeakPolarHBondContact O-CA 3.42Å; K180-W194 HydrophobicContact CB-CE3 4.11Å; K180-W194 HydrophobicContact CB-CH2 3.94Å; K180-W194 HydrophobicContact CB-CZ2 4.36Å; K180-W194 HydrophobicContact CB-CZ3 3.8Å |
| 195 | T | 96.8 | Very high | 87.6 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 165.1 | 171.8 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | K140 F178 V179 I181 | K140-T195 HydrophobicContact CB-CG2 3.54Å; F178-T195 WeakPolarHBondContact CA-O 3.43Å; V179-T195 PolarHBondContact N-O 3.39Å; V179-T195 PolarHBondContact O-N 2.9Å; I181-T195 HydrophobicContact CG1-CG2 3.75Å; I181-T195 WeakPolarHBondContact CG1-OG1 3.23Å |
| 196 | L | 95.5 | Very high | 87.2 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 150.8 | 160.7 | -156.7 | 64.1 | 0 | 0 | 0 | 108.8 | T130 I133 L134 C177 F178 E201 F204 | T130-L196 HydrophobicContact CG2-CD1 4.05Å; T130-L196 HydrophobicContact CG2-CD2 3.99Å; I133-L196 HydrophobicContact CG2-CB 4.45Å; L134-L196 HydrophobicContact CD2-CD2 4.05Å; C177-L196 HydrophobicContact CB-CD1 4.37Å; C177-L196 CarbonylContact O-C 3.48Å; C177-L196 WeakPolarHBondContact O-CA 3.4Å; F178-L196 HydrophobicContact CD1-CD1 4.12Å; F178-L196 HydrophobicContact CE1-CD1 3.8Å; L196-E201 HydrophobicContact CD2-CB 3.92Å; L196-E201 HydrophobicContact CD2-CG 3.91Å; L196-F204 HydrophobicContact CD1-CE2 4.48Å; L196-F204 HydrophobicContact CD2-CD2 4.42Å |
| 197 | D | 94.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | trans | -77.6 | 127.1 | 167.8 | -173.9 | 17.9 | 0 | 0 | 0 | 108.6 | C177 V179 A199 S200 E201 R218 | C177-D197 PolarHBondContact O-N 3.22Å; V179-D197 HydrophobicContact CG2-CB 3.9Å; D197-A199 PolarHBondContact O-N 3.37Å; D197-S200 CarbonylContact O-C 3.59Å; D197-S200 WeakPolarHBondContact O-CA 3.33Å; D197-S200 WeakPolarHBondContact O-CB 3.17Å; D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3.06Å; D197-E201 PolarHBondContact O-N 3.25Å; D197-R218 IonicContact OD1-CZ 3.84Å; D197-R218 IonicContact OD1-NH1 2.74Å; D197-R218 PolarHBondContact OD1-NH1 3.19Å; D197-R218 IonicContact OD2-CZ 2.79Å; D197-R218 IonicContact OD2-NH1 3.79Å; D197-R218 PolarHBondContact OD2-NH1 3.33Å | ||
| 198 | P | 91.4 | Very high | 86.4 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 62% | 0.623 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -55.2 | -36.5 | -177.9 | -29.9 | 36.9 | 0 | 0 | 0 | 113.8 | S200 E201 | P198-S200 PolarHBondContact O-N 2.94Å; P198-E201 PolarHBondContact O-N 3.36Å; P198-E201 VanDerWaalsContact O-N 3.16Å |
| 199 | A | 88.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -65.9 | 4.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | D197 F216 | D197-A199 PolarHBondContact O-N 3.37Å; A199-F216 HydrophobicContact CB-CZ 4.28Å; A199-F216 VanDerWaalsContact O-CE2 3.3Å; A199-F216 WeakPolarHBondContact O-CE2 3.46Å |
| 200 | S | 87.3 | Confident | 86 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -129.8 | 3.1 | 178.4 | 77.5 | 0 | 0 | 0 | 0 | 114.2 | D197 P198 M203 F204 | D197-S200 CarbonylContact O-C 3.59Å; D197-S200 WeakPolarHBondContact O-CA 3.33Å; D197-S200 WeakPolarHBondContact O-CB 3.17Å; D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3.06Å; P198-S200 PolarHBondContact O-N 2.94Å; S200-M203 VanDerWaalsContact CB-CE 3.42Å; S200-F204 VanDerWaalsContact O-CD2 3.24Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å |
| 201 | E | 86.3 | Confident | 85.4 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -48.9 | -177.5 | -164.8 | 150.5 | -164.3 | 0 | 0 | 111.6 | L134 K139 L196 D197 P198 M203 F204 D205 | L134-E201 HydrophobicContact CD2-CG 4.17Å; L134-E201 VanDerWaalsContact CD2-OE1 3.3Å; L134-E201 WeakPolarHBondContact CD2-OE1 3.43Å; K139-E201 IonicContact NZ-OE1 2.78Å; K139-E201 PolarHBondContact NZ-OE1 3.17Å; L196-E201 HydrophobicContact CD2-CB 3.92Å; L196-E201 HydrophobicContact CD2-CG 3.91Å; D197-E201 PolarHBondContact O-N 3.25Å; P198-E201 PolarHBondContact O-N 3.36Å; P198-E201 VanDerWaalsContact O-N 3.16Å; E201-M203 PolarHBondContact O-N 3.43Å; E201-F204 PolarHBondContact O-N 3.46Å; E201-D205 PolarHBondContact O-N 2.94Å |
| 202 | D | 85.6 | Confident | 84.7 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 66% | 0.658 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -49.2 | -30.9 | 175.3 | -52.9 | -23.6 | 0 | 0 | 0 | 114.3 | F204 | D202-F204 PolarHBondContact O-N 2.82Å |
| 203 | M | 81.6 | Confident | 83.7 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 22% | 0.222 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.7 | -9.4 | 179.4 | -81.5 | -164.6 | -71.2 | 0 | 0 | 114.3 | S200 E201 R212 F216 | S200-M203 VanDerWaalsContact CB-CE 3.42Å; E201-M203 PolarHBondContact O-N 3.43Å; M203-R212 PolarHBondContact O-NH2 3.41Å; M203-R212 PolarHBondContact SD-NH1 3.03Å; M203-F216 HydrophobicContact CE-CB 3.87Å; M203-F216 HydrophobicContact CE-CD1 4.48Å; M203-F216 HydrophobicContact CE-CD2 3.31Å; M203-F216 HydrophobicContact CE-CE2 3.88Å; M203-F216 HydrophobicContact CE-CG 3.66Å; M203-F216 HydrophobicContact SD-CB 4.49Å; M203-F216 HydrophobicContact SD-CD2 4.26Å |
| 204 | F | 80 | Confident | 82.9 | Confident | 9 Ų | 9 | 83.8 Ų | 83.8 | 4% | 0.039 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -129.9 | -26.1 | -177 | -59.3 | -77.1 | 0 | 0 | 0 | 113.9 | I126 T130 L134 L196 S200 E201 D202 N206 G207 F209 | I126-F204 HydrophobicContact CG2-CE1 4.34Å; I126-F204 HydrophobicContact CG2-CZ 3.85Å; T130-F204 HydrophobicContact CG2-CB 3.8Å; T130-F204 HydrophobicContact CG2-CD1 4.2Å; T130-F204 HydrophobicContact CG2-CD2 3.79Å; T130-F204 HydrophobicContact CG2-CE2 4.4Å; T130-F204 HydrophobicContact CG2-CG 3.66Å; L134-F204 HydrophobicContact CD1-CB 4.31Å; L196-F204 HydrophobicContact CD1-CE2 4.48Å; L196-F204 HydrophobicContact CD2-CD2 4.42Å; S200-F204 VanDerWaalsContact O-CD2 3.24Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å; E201-F204 PolarHBondContact O-N 3.46Å; D202-F204 PolarHBondContact O-N 2.82Å; F204-N206 VanDerWaalsContact C-N 3.27Å; F204-N206 PolarHBondContact O-N 3.47Å; F204-G207 PolarHBondContact O-N 3.11Å; F204-F209 HydrophobicContact CB-CE1 4.22Å; F204-F209 HydrophobicContact CD1-CD1 4.42Å |
| 205 | D | 75.7 | Confident | 82 | Confident | 93 Ų | 93 | 87 Ų | 87 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | -178.2 | -80.8 | -4.1 | 0 | 0 | 0 | 113.4 | E201 G207 | E201-D205 PolarHBondContact O-N 2.94Å; D205-G207 PolarHBondContact O-N 2.83Å |
| 206 | N | 72.8 | Confident | 81.1 | Confident | 146 Ų | 146 | 87.6 Ų | 87.6 | 78% | 0.781 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 26.3 | 173.5 | -65.8 | -71.1 | 0 | 0 | 0 | 113.9 | F204 S208 | F204-N206 VanDerWaalsContact C-N 3.27Å; F204-N206 PolarHBondContact O-N 3.47Å; N206-S208 PolarHBondContact O-N 3.32Å |
| 207 | G | 69.4 | Low | 80.4 | Confident | 48 Ų | 48 | 94.6 Ų | 94.6 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 70 | 9.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F204 D205 F209 | F204-G207 PolarHBondContact O-N 3.11Å; D205-G207 PolarHBondContact O-N 2.83Å; G207-F209 VanDerWaalsContact O-CD2 3.3Å; G207-F209 WeakPolarHBondContact O-CD2 3.17Å; G207-F209 PolarHBondContact O-N 2.83Å |
| 208 | S | 77.4 | Confident | 79.5 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | trans | -78.7 | 62.9 | -172.1 | -156.8 | 0 | 0 | 0 | 0 | 113.1 | N206 L210 | N206-S208 PolarHBondContact O-N 3.32Å; S208-L210 VanDerWaalsContact C-N 3.29Å; S208-L210 PolarHBondContact O-N 3.36Å | ||
| 209 | F | 78.9 | Confident | 78.7 | Confident | 44 Ų | 44 | 101.4 Ų | 101.4 | 19% | 0.193 | 49% | 0.488 | C | S | . | . | trans | -83 | 0.6 | -180 | -61.2 | -64.8 | 0 | 0 | 0 | 114.3 | Y123 A127 M131 F204 G207 | Y123-F209 HydrophobicContact CD1-CB 3.77Å; Y123-F209 HydrophobicContact CE1-CB 3.75Å; A127-F209 HydrophobicContact CB-CB 4.03Å; A127-F209 HydrophobicContact CB-CD1 4.21Å; A127-F209 VanDerWaalsContact CB-O 3.23Å; A127-F209 WeakPolarHBondContact CB-O 3.26Å; M131-F209 HydrophobicContact CG-CD1 3.84Å; M131-F209 HydrophobicContact CG-CE1 3.61Å; M131-F209 HydrophobicContact CG-CG 4.41Å; M131-F209 HydrophobicContact CG-CZ 3.97Å; M131-F209 HydrophobicContact SD-CD1 4.43Å; M131-F209 HydrophobicContact SD-CG 4.44Å; F204-F209 HydrophobicContact CB-CE1 4.22Å; F204-F209 HydrophobicContact CD1-CD1 4.42Å; G207-F209 VanDerWaalsContact O-CD2 3.3Å; G207-F209 WeakPolarHBondContact O-CD2 3.17Å; G207-F209 PolarHBondContact O-N 2.83Å | ||
| 210 | L | 76.3 | Confident | 77.6 | Confident | 127 Ų | 127 | 104.3 Ų | 104.3 | 67% | 0.665 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -72.3 | 159.5 | 177.3 | -66.6 | 176.8 | 0 | 0 | 0 | 112.4 | S208 R212 | S208-L210 VanDerWaalsContact C-N 3.29Å; S208-L210 PolarHBondContact O-N 3.36Å; L210-R212 PolarHBondContact O-N 2.95Å |
| 211 | R | 74.1 | Confident | 76.2 | Confident | 224 Ų | 224 | 109.5 Ų | 109.5 | 85% | 0.845 | 52% | 0.523 | S | S | * | . | trans | -71.8 | 98.9 | -179.2 | -179.3 | -175.8 | 166.6 | -146.4 | -3.1 | 111.5 | ||||
| 212 | R | 78.3 | Confident | 74.8 | Confident | 102 Ų | 102 | 110.5 Ų | 110.5 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | trans | -60.9 | 142.1 | 171.8 | -164.3 | 171 | -69.8 | 121.2 | 8.9 | 111.7 | M203 L210 K214 | M203-R212 PolarHBondContact O-NH2 3.41Å; M203-R212 PolarHBondContact SD-NH1 3.03Å; L210-R212 PolarHBondContact O-N 2.95Å; R212-K214 WeakPolarHBondContact CG-O 3.49Å | ||
| 213 | R | 74 | Confident | 73.5 | Confident | 262 Ų | 262 | 109.5 Ų | 109.5 | 99% | 0.989 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -78.5 | -40.5 | 178.4 | -68.1 | -178.1 | -179.1 | 168.7 | -0.1 | 113.1 | ||
| 214 | K | 79.1 | Confident | 72.4 | Confident | 182 Ų | 182 | 113.5 Ų | 113.5 | 79% | 0.791 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -89.4 | 126.7 | 176 | -170 | 174.2 | -178.6 | 178.6 | 0 | 109.8 | R212 | R212-K214 WeakPolarHBondContact CG-O 3.49Š|
| 215 | R | 78.4 | Confident | 71.5 | Confident | 108 Ų | 108 | 121.4 Ų | 121.4 | 41% | 0.408 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 140.1 | 174.5 | -166.5 | -165 | 171 | -96.3 | 21.2 | 109.5 | L174 D176 | L174-R215 PolarHBondContact O-NH2 2.81Å; D176-R215 IonicContact OD1-CZ 3.43Å; D176-R215 IonicContact OD1-NH1 3.18Å; D176-R215 PolarHBondContact OD1-NH1 3.19Å; D176-R215 IonicContact OD1-NH2 3.62Å; D176-R215 PolarHBondContact OD1-NH2 2.76Å; D176-R215 IonicContact OD2-NH1 2.74Å |
| 216 | F | 79.5 | Confident | 70.7 | Confident | 42 Ų | 42 | 122 Ų | 122 | 18% | 0.184 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -59.8 | 148.4 | 164.6 | 179 | -111.1 | 0 | 0 | 0 | 110.1 | D176 C177 A199 M203 R218 | D176-F216 HydrophobicContact CB-CD1 4.01Å; D176-F216 HydrophobicContact CB-CE1 4.07Å; C177-F216 HydrophobicContact CB-CD1 4.49Å; C177-F216 WeakPolarHBondContact SG-CD1 3.25Å; A199-F216 HydrophobicContact CB-CZ 4.28Å; A199-F216 VanDerWaalsContact O-CE2 3.3Å; A199-F216 WeakPolarHBondContact O-CE2 3.46Å; M203-F216 HydrophobicContact CE-CB 3.87Å; M203-F216 HydrophobicContact CE-CD1 4.48Å; M203-F216 HydrophobicContact CE-CD2 3.31Å; M203-F216 HydrophobicContact CE-CE2 3.88Å; M203-F216 HydrophobicContact CE-CG 3.66Å; M203-F216 HydrophobicContact SD-CB 4.49Å; M203-F216 HydrophobicContact SD-CD2 4.26Å; F216-R218 HydrophobicContact CE1-CB 4.44Å |
| 217 | K | 79.5 | Confident | 70.1 | Confident | 157 Ų | 157 | 120.9 Ų | 120.9 | 68% | 0.683 | 57% | 0.572 | S | S | * | * | trans | -135.9 | 136 | 161.9 | -74 | -169.6 | 175.8 | -172 | 0 | 106.9 | D176 V219 | D176-K217 VanDerWaalsContact OD2-CA 3.25Å; D176-K217 WeakPolarHBondContact OD2-CA 3.23Å; K217-V219 PolarHBondContact O-N 3.47Å | ||
| 218 | R | 76 | Confident | 69.8 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | trans | -65.2 | 119.3 | 172 | -172.4 | -174.8 | -172.9 | 90.3 | -0 | 107.9 | D176 D197 F216 Q220 | D176-R218 HydrophobicContact CB-CB 4.08Å; D176-R218 PolarHBondContact OD2-N 3.22Å; D197-R218 IonicContact OD1-CZ 3.84Å; D197-R218 IonicContact OD1-NH1 2.74Å; D197-R218 PolarHBondContact OD1-NH1 3.19Å; D197-R218 IonicContact OD2-CZ 2.79Å; D197-R218 IonicContact OD2-NH1 3.79Å; D197-R218 PolarHBondContact OD2-NH1 3.33Å; F216-R218 HydrophobicContact CE1-CB 4.44Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.15Å | ||
| 219 | V | 74.9 | Confident | 69.2 | Low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | trans | -72.7 | 97.1 | 166.9 | -178.4 | 0 | 0 | 0 | 0 | 106.4 | K217 P221 | K217-V219 PolarHBondContact O-N 3.47Å; V219-P221 WeakPolarHBondContact O-CD 3.23Å | ||
| 220 | Q | 65.2 | Low | 68.6 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | trans | -59.5 | 127.3 | 164 | -69.9 | -83.4 | 83.9 | 0 | 0 | 107.2 | R218 D222 | R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.15Å; Q220-D222 HydrophobicContact CB-CB 4.47Å; Q220-D222 PolarHBondContact O-N 3.08Å | ||
| 221 | P | 57.6 | Low | 68.1 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 58% | 0.58 | S | S | * | * | trans | -69.9 | 83.4 | 164.5 | 29.8 | -31.9 | 0 | 0 | 0 | 107.1 | V219 V223 | V219-P221 WeakPolarHBondContact O-CD 3.23Å; P221-V223 PolarHBondContact O-N 2.95Å | ||
| 222 | D | 55.5 | Low | 67.6 | Low | 66 Ų | 66 | 119.2 Ų | 119.2 | 35% | 0.353 | 57% | 0.572 | S | S | . | * | trans | -83 | 68.6 | -169.5 | -165.8 | -3 | 0 | 0 | 0 | 109.6 | Q220 L224 R225 D226 | Q220-D222 HydrophobicContact CB-CB 4.47Å; Q220-D222 PolarHBondContact O-N 3.08Å; D222-L224 PolarHBondContact O-N 3.42Å; D222-R225 HydrophobicContact CB-CB 3.98Å; D222-R225 WeakPolarHBondContact O-CA 3.45Å; D222-R225 PolarHBondContact O-N 2.88Å; D222-R225 PolarHBondContact OD1-N 3.26Å; D222-R225 VanDerWaalsContact OD2-CB 3.26Å; D222-R225 WeakPolarHBondContact OD2-CB 3.44Å; D222-R225 IonicContact OD2-NE 2.7Å; D222-R225 PolarHBondContact OD2-NE 3.37Å; D222-D226 PolarHBondContact O-N 3.44Å | ||
| 223 | V | 59 | Low | 66.8 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -52.1 | -30.9 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | P221 Q227 | P221-V223 PolarHBondContact O-N 2.95Å; V223-Q227 WeakPolarHBondContact O-CB 3.43Å; V223-Q227 WeakPolarHBondContact O-CG 3.46Å; V223-Q227 PolarHBondContact O-N 3.49Å |
| 224 | L | 57.7 | Low | 66.2 | Low | 130 Ų | 130 | 112.7 Ų | 112.7 | 68% | 0.681 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.2 | -36.2 | 175 | -175.1 | 61.1 | 0 | 0 | 0 | 112.6 | D222 T228 | D222-L224 PolarHBondContact O-N 3.42Å; L224-T228 WeakPolarHBondContact O-CB 3.44Å; L224-T228 PolarHBondContact O-N 3.06Å; L224-T228 PolarHBondContact O-OG1 3.34Å |
| 225 | R | 61.3 | Low | 65.1 | Low | 175 Ų | 175 | 109.4 Ų | 109.4 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -76.2 | -33.1 | 176 | -167.3 | 146.8 | 73.9 | 107.7 | 7.5 | 113.2 | D222 T228 A229 | D222-R225 HydrophobicContact CB-CB 3.98Å; D222-R225 WeakPolarHBondContact O-CA 3.45Å; D222-R225 PolarHBondContact O-N 2.88Å; D222-R225 PolarHBondContact OD1-N 3.26Å; D222-R225 VanDerWaalsContact OD2-CB 3.26Å; D222-R225 WeakPolarHBondContact OD2-CB 3.44Å; D222-R225 IonicContact OD2-NE 2.7Å; D222-R225 PolarHBondContact OD2-NE 3.37Å; R225-T228 CarbonylContact O-C 3.57Å; R225-T228 PolarHBondContact O-N 3.42Å; R225-A229 WeakPolarHBondContact O-CB 3.45Å; R225-A229 PolarHBondContact O-N 2.93Å |
| 226 | D | 60.2 | Low | 63.9 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -42.1 | 169.5 | -67.7 | -24.7 | 0 | 0 | 0 | 110.6 | D222 T228 A229 L230 | D222-D226 PolarHBondContact O-N 3.44Å; D226-T228 VanDerWaalsContact C-N 3.32Å; D226-T228 PolarHBondContact O-N 3.19Å; D226-A229 PolarHBondContact O-N 2.95Å; D226-L230 WeakPolarHBondContact O-CB 3.44Å; D226-L230 WeakPolarHBondContact O-CG 3.1Å; D226-L230 PolarHBondContact O-N 2.84Å |
| 227 | Q | 60.1 | Low | 62.6 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.9 | -39 | 170.1 | -74.8 | -76.9 | 101.7 | 0 | 0 | 112.5 | V223 M231 | V223-Q227 WeakPolarHBondContact O-CB 3.43Å; V223-Q227 WeakPolarHBondContact O-CG 3.46Å; V223-Q227 PolarHBondContact O-N 3.49Å; Q227-M231 WeakPolarHBondContact O-CB 3.35Å; Q227-M231 PolarHBondContact O-N 2.82Å |
| 228 | T | 63.2 | Low | 61.4 | Low | 63 Ų | 63 | 108.6 Ų | 108.6 | 39% | 0.387 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.1 | -33.4 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | L224 R225 D226 M231 M232 | L224-T228 WeakPolarHBondContact O-CB 3.44Å; L224-T228 PolarHBondContact O-N 3.06Å; L224-T228 PolarHBondContact O-OG1 3.34Å; R225-T228 CarbonylContact O-C 3.57Å; R225-T228 PolarHBondContact O-N 3.42Å; D226-T228 VanDerWaalsContact C-N 3.32Å; D226-T228 PolarHBondContact O-N 3.19Å; T228-M231 PolarHBondContact O-N 2.85Å; T228-M232 WeakPolarHBondContact O-CB 3.34Å; T228-M232 WeakPolarHBondContact O-CG 3.46Å; T228-M232 PolarHBondContact O-N 2.81Å |
| 229 | A | 64.8 | Low | 59.9 | Low | 54 Ų | 54 | 108 Ų | 108 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.5 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | R225 D226 M231 M232 Q233 | R225-A229 WeakPolarHBondContact O-CB 3.45Å; R225-A229 PolarHBondContact O-N 2.93Å; D226-A229 PolarHBondContact O-N 2.95Å; A229-M231 VanDerWaalsContact C-N 3.3Å; A229-M231 PolarHBondContact O-N 3.05Å; A229-M232 PolarHBondContact O-N 2.87Å; A229-Q233 WeakPolarHBondContact O-CB 3.29Å; A229-Q233 PolarHBondContact O-N 2.83Å |
| 230 | L | 65.4 | Low | 58.8 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.8 | -37.2 | 172.9 | -71.2 | 167.8 | 0 | 0 | 0 | 111.8 | D226 Q233 S234 | D226-L230 WeakPolarHBondContact O-CB 3.44Å; D226-L230 WeakPolarHBondContact O-CG 3.1Å; D226-L230 PolarHBondContact O-N 2.84Å; L230-Q233 PolarHBondContact O-N 2.87Å; L230-S234 VanDerWaalsContact O-CB 3.32Å; L230-S234 WeakPolarHBondContact O-CB 3.42Å; L230-S234 PolarHBondContact O-N 2.92Å |
| 231 | M | 65.8 | Low | 57.9 | Low | 109 Ų | 109 | 107.8 Ų | 107.8 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -53.3 | 172.1 | -173.1 | 177.4 | -176.1 | 0 | 0 | 110.8 | Q227 T228 A229 Q233 S234 F235 | Q227-M231 WeakPolarHBondContact O-CB 3.35Å; Q227-M231 PolarHBondContact O-N 2.82Å; T228-M231 PolarHBondContact O-N 2.85Å; A229-M231 VanDerWaalsContact C-N 3.3Å; A229-M231 PolarHBondContact O-N 3.05Å; M231-Q233 PolarHBondContact O-N 3.36Å; M231-S234 CarbonylContact O-C 3.6Å; M231-S234 WeakPolarHBondContact O-CA 3.41Å; M231-S234 WeakPolarHBondContact O-CB 3.35Å; M231-S234 PolarHBondContact O-N 3.16Å; M231-F235 HydrophobicContact CE-CD2 4.2Å; M231-F235 HydrophobicContact CE-CE2 3.59Å; M231-F235 HydrophobicContact CE-CZ 4.14Å; M231-F235 HydrophobicContact CG-CD2 3.66Å; M231-F235 HydrophobicContact CG-CE2 3.72Å; M231-F235 WeakPolarHBondContact O-CD2 3.39Å; M231-F235 PolarHBondContact O-N 3.33Å |
| 232 | M | 63.8 | Low | 57.2 | Low | 139 Ų | 139 | 104.8 Ų | 104.8 | 69% | 0.685 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -58 | -34.8 | 176.1 | -76.4 | -178.2 | 63.8 | 0 | 0 | 112.6 | T228 A229 G236 | T228-M232 WeakPolarHBondContact O-CB 3.34Å; T228-M232 WeakPolarHBondContact O-CG 3.46Å; T228-M232 PolarHBondContact O-N 2.81Å; A229-M232 PolarHBondContact O-N 2.87Å; M232-G236 WeakPolarHBondContact O-CA 3.28Å; M232-G236 PolarHBondContact O-N 3.08Å |
| 233 | Q | 62 | Low | 56.9 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -30.4 | 175.4 | -162.9 | 168.8 | 19.2 | 0 | 0 | 112.6 | A229 L230 M231 | A229-Q233 WeakPolarHBondContact O-CB 3.29Å; A229-Q233 PolarHBondContact O-N 2.83Å; L230-Q233 PolarHBondContact O-N 2.87Å; M231-Q233 PolarHBondContact O-N 3.36Å |
| 234 | S | 60.4 | Low | 56.4 | Low | 76 Ų | 76 | 113.2 Ų | 113.2 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -80 | -32.2 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | L230 M231 Y238 | L230-S234 VanDerWaalsContact O-CB 3.32Å; L230-S234 WeakPolarHBondContact O-CB 3.42Å; L230-S234 PolarHBondContact O-N 2.92Å; M231-S234 CarbonylContact O-C 3.6Å; M231-S234 WeakPolarHBondContact O-CA 3.41Å; M231-S234 WeakPolarHBondContact O-CB 3.35Å; M231-S234 PolarHBondContact O-N 3.16Å; S234-Y238 WeakPolarHBondContact O-CE1 3.33Å |
| 235 | F | 57.3 | Low | 55.7 | Low | 112 Ų | 112 | 110 Ų | 110 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -85.6 | -22.4 | 173.9 | -78.2 | -91.7 | 0 | 0 | 0 | 113.2 | M231 A237 Y238 | M231-F235 HydrophobicContact CE-CD2 4.2Å; M231-F235 HydrophobicContact CE-CE2 3.59Å; M231-F235 HydrophobicContact CE-CZ 4.14Å; M231-F235 HydrophobicContact CG-CD2 3.66Å; M231-F235 HydrophobicContact CG-CE2 3.72Å; M231-F235 WeakPolarHBondContact O-CD2 3.39Å; M231-F235 PolarHBondContact O-N 3.33Å; F235-A237 PolarHBondContact O-N 3.43Å; F235-A237 VanDerWaalsContact O-N 3.15Å; F235-Y238 AromaticContact CD1-CE2 3.83Å; F235-Y238 HydrophobicContact CD1-CE2 3.83Å; F235-Y238 AromaticContact CD1-CZ 3.78Å; F235-Y238 WeakPolarHBondContact CD1-OH 3.43Å; F235-Y238 HydrophobicContact CE1-CE2 4.44Å; F235-Y238 WeakPolarHBondContact CE1-OH 3.31Å; F235-Y238 PolarHBondContact O-N 3.04Å |
| 236 | G | 53.6 | Low | 54.8 | Low | 61 Ų | 61 | 111.7 Ų | 111.7 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -5.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M232 | M232-G236 WeakPolarHBondContact O-CA 3.28Å; M232-G236 PolarHBondContact O-N 3.08Å |
| 237 | A | 50.8 | Low | 54.3 | Low | 89 Ų | 89 | 114.6 Ų | 114.6 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F235 | F235-A237 PolarHBondContact O-N 3.43Å; F235-A237 VanDerWaalsContact O-N 3.15Å |
| 238 | Y | 54.5 | Low | 53.5 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 55% | 0.549 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -139.9 | 54 | -172.4 | 47.1 | -91.3 | 0 | 0 | 0 | 114 | S234 F235 | S234-Y238 WeakPolarHBondContact O-CE1 3.33Å; F235-Y238 AromaticContact CD1-CE2 3.83Å; F235-Y238 HydrophobicContact CD1-CE2 3.83Å; F235-Y238 AromaticContact CD1-CZ 3.78Å; F235-Y238 WeakPolarHBondContact CD1-OH 3.43Å; F235-Y238 HydrophobicContact CE1-CE2 4.44Å; F235-Y238 WeakPolarHBondContact CE1-OH 3.31Å; F235-Y238 PolarHBondContact O-N 3.04Å |
| 239 | S | 44.4 | Very low | 52.7 | Low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -148.4 | 128.2 | 155.6 | -87 | 0 | 0 | 0 | 0 | 113.4 | ||
| 240 | L | 53.1 | Low | 51.6 | Low | 169 Ų | 169 | 124.3 Ų | 124.3 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | trans | 62.6 | 62.8 | 159 | -54.2 | 178.2 | 0 | 0 | 0 | 116.9 | G242 | L240-G242 PolarHBondContact O-N 2.99Š| ||
| 241 | G | 45.7 | Very low | 50.5 | Low | 87 Ų | 87 | 128.4 Ų | 128.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | trans | -62.6 | 89.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 242 | G | 42.2 | Very low | 49.7 | Very low | 49 Ų | 49 | 128.2 Ų | 128.2 | 51% | 0.505 | 72% | 0.719 | S | S | . | * | trans | -67.8 | 149.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | L240 Y244 | L240-G242 PolarHBondContact O-N 2.99Å; G242-Y244 PolarHBondContact O-N 3.08Å | ||
| 243 | P | 49 | Very low | 48.5 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -66.7 | -3.5 | -169.6 | 23.8 | -33.2 | 0 | 0 | 0 | 115.8 | ||
| 244 | Y | 48.8 | Very low | 47.6 | Very low | 227 Ų | 227 | 123.4 Ų | 123.4 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -133.6 | 65.3 | -177 | -56.5 | -71.3 | 0 | 0 | 0 | 111.7 | G242 | G242-Y244 PolarHBondContact O-N 3.08Š|
| 245 | G | 43.7 | Very low | 46.9 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | -148.2 | 89.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | H247 | G245-H247 PolarHBondContact O-N 2.92Š| ||
| 246 | R | 43.2 | Very low | 46.1 | Very low | 211 Ų | 211 | 129.7 Ų | 129.7 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.9 | 171.8 | -86.5 | -70.8 | -136.9 | -78.6 | -3.2 | 110 | Y248 | R246-Y248 HydrophobicContact CB-CE2 4.29Š|
| 247 | H | 48.2 | Very low | 45.7 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 118.4 | 156.3 | 47.5 | -91.2 | 0 | 0 | 0 | 108.4 | G245 | G245-H247 PolarHBondContact O-N 2.92Š|
| 248 | Y | 44.7 | Very low | 45.5 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 124.2 | 157.1 | -77.7 | -81.3 | 0 | 0 | 0 | 106.8 | R246 | R246-Y248 HydrophobicContact CB-CE2 4.29Š|
| 249 | G | 45.3 | Very low | 44.9 | Very low | 66 Ų | 66 | 134.7 Ų | 134.7 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 167.5 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 250 | I | 41.8 | Very low | 44.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -123.2 | 121.6 | 157 | -72.7 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 251 | H | 43.6 | Very low | 44.5 | Very low | 184 Ų | 184 | 134 Ų | 134 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 123 | 169.3 | -106.3 | -84.4 | 0 | 0 | 0 | 109.1 | ||
| 252 | P | 47.8 | Very low | 44.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150 | 148.9 | -16.5 | 32.4 | 0 | 0 | 0 | 109.9 | ||
| 253 | A | 39.8 | Very low | 44.5 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 147.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 254 | A | 42.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 129.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 255 | Y | 44.7 | Very low | 44.4 | Very low | 216 Ų | 216 | 145.3 Ų | 145.3 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -120.6 | 139.2 | 158.4 | -96.4 | -85 | 0 | 0 | 0 | 109.6 | ||||
| 256 | S | 41.3 | Very low | 45.2 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -86.7 | 129.1 | -170.7 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | H | 44.6 | Very low | 45.8 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -125.3 | 104 | 168.1 | -73.9 | -52.3 | 0 | 0 | 0 | 110.9 | ||||
| 258 | P | 47.3 | Very low | 46.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -92.7 | 95.2 | 176.8 | 33.9 | -30.4 | 0 | 0 | 0 | 111.5 | ||||
| 259 | A | 42.4 | Very low | 46.8 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -158.5 | 76 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L261 | A259-L261 PolarHBondContact O-N 2.86Å; A259-L261 VanDerWaalsContact O-N 3.08Å | ||
| 260 | A | 42.8 | Very low | 47.2 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -79 | 84.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | L | 46.3 | Very low | 47.8 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -88.4 | 127.3 | 166.9 | -64.6 | -169 | 0 | 0 | 0 | 110.4 | A259 | A259-L261 PolarHBondContact O-N 2.86Å; A259-L261 VanDerWaalsContact O-N 3.08Å | ||
| 262 | Q | 44.7 | Very low | 48 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 135.4 | 176.6 | -63.2 | 170.4 | -43.8 | 0 | 0 | 110.4 | ||||
| 263 | Y | 41.7 | Very low | 48.3 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 148.9 | 160.3 | -98.1 | -91.5 | 0 | 0 | 0 | 110.3 | ||||
| 264 | P | 53.4 | Low | 49.3 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 144.8 | -169 | -18.9 | 33.6 | 0 | 0 | 0 | 113.5 | I266 | P264-I266 PolarHBondContact O-N 2.92Š| ||
| 265 | Y | 43.4 | Very low | 50 | Low | 205 Ų | 205 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -66.5 | 116.9 | 172 | 179 | -92.5 | 0 | 0 | 0 | 110.7 | P267 | Y265-P267 HydrophobicContact CE1-CB 4.37Š| ||
| 266 | I | 59.7 | Low | 50.1 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -108.7 | 124.3 | 169.9 | -59 | 175.7 | 0 | 0 | 0 | 107.1 | P264 | P264-I266 PolarHBondContact O-N 2.92Š| ||
| 267 | P | 55.3 | Low | 50.9 | Low | 85 Ų | 85 | 135.1 Ų | 135.1 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 143.3 | -179.7 | 28.8 | -34.6 | 0 | 0 | 0 | 111 | Y265 V269 | Y265-P267 HydrophobicContact CE1-CB 4.37Å; P267-V269 PolarHBondContact O-N 3Å; P267-V269 VanDerWaalsContact O-N 3.16Å | ||
| 268 | P | 58.6 | Low | 51.5 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -70.5 | 112.2 | 179.4 | 28.2 | -33.7 | 0 | 0 | 0 | 110.8 | G270 | P268-G270 PolarHBondContact O-N 3.32Š| ||
| 269 | V | 55.3 | Low | 51.4 | Low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.5 | 160.9 | -80.4 | 0 | 0 | 0 | 0 | 108.8 | P267 | P267-V269 PolarHBondContact O-N 3Å; P267-V269 VanDerWaalsContact O-N 3.16Å |
| 270 | G | 54.3 | Low | 51.8 | Low | 57 Ų | 57 | 138 Ų | 138 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 152.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P268 M272 | P268-G270 PolarHBondContact O-N 3.32Å; G270-M272 PolarHBondContact O-N 3.14Å |
| 271 | P | 55.3 | Low | 52.1 | Low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.6 | -179.5 | 26.6 | -34 | 0 | 0 | 0 | 110.7 | L273 | P271-L273 PolarHBondContact O-N 3.47Š|
| 272 | M | 46.5 | Very low | 52.3 | Low | 180 Ų | 180 | 137.7 Ų | 137.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.7 | 169.8 | -70 | -92.4 | 72.3 | 0 | 0 | 109.2 | G270 | G270-M272 PolarHBondContact O-N 3.14Š|
| 273 | L | 54 | Low | 52.6 | Low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 131 | 171.5 | -74.9 | 161.2 | 0 | 0 | 0 | 109.8 | P271 | P271-L273 PolarHBondContact O-N 3.47Š|
| 274 | P | 61.6 | Low | 52.9 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 149.5 | 167.5 | 30 | -33.7 | 0 | 0 | 0 | 110.1 | G276 | P274-G276 PolarHBondContact O-N 3.01Š|
| 275 | P | 56.7 | Low | 52.8 | Low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137 | 177.4 | 27 | -34.3 | 0 | 0 | 0 | 110.9 | V277 | P275-V277 PolarHBondContact O-N 3.32Š|
| 276 | G | 47.4 | Very low | 53.2 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 124.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P274 | P274-G276 PolarHBondContact O-N 3.01Š|
| 277 | V | 57.9 | Low | 52.8 | Low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 138.5 | 160.2 | -77.3 | 0 | 0 | 0 | 0 | 109.7 | P275 L279 | P275-V277 PolarHBondContact O-N 3.32Å; V277-L279 PolarHBondContact O-N 3.02Å |
| 278 | P | 57 | Low | 52.7 | Low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.8 | -179.1 | 27.2 | -33.8 | 0 | 0 | 0 | 111.4 | L280 | P278-L280 PolarHBondContact O-N 3.35Š|
| 279 | L | 44.7 | Very low | 52.1 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -72.7 | 113 | 172.9 | -83.3 | 159.9 | 0 | 0 | 0 | 110.3 | V277 | V277-L279 PolarHBondContact O-N 3.02Š| ||
| 280 | L | 50.3 | Low | 51.8 | Low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -80.3 | 134.6 | 165.2 | -72.6 | 168.6 | 0 | 0 | 0 | 109.7 | P278 S282 | P278-L280 PolarHBondContact O-N 3.35Å; L280-S282 PolarHBondContact O-N 3.2Å | ||
| 281 | P | 49.3 | Very low | 51.4 | Low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -62.5 | 133 | 176.3 | -24.2 | 34.7 | 0 | 0 | 0 | 113.1 | A283 | P281-A283 VanDerWaalsContact C-N 3.33Å; P281-A283 PolarHBondContact O-N 2.99Å | ||
| 282 | S | 50.5 | Low | 51.1 | Low | 137 Ų | 137 | 139.4 Ų | 139.4 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -75.6 | 76.6 | 177.6 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | L280 | L280-S282 PolarHBondContact O-N 3.2Š|
| 283 | A | 52.3 | Low | 51.5 | Low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -134.7 | -1.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117 | P281 | P281-A283 VanDerWaalsContact C-N 3.33Å; P281-A283 PolarHBondContact O-N 2.99Å | ||
| 284 | E | 47.7 | Very low | 51.3 | Low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -139.1 | 46.7 | 178.3 | -148.2 | -174.9 | -98.9 | 0 | 0 | 115.9 | N286 K288 | E284-N286 VanDerWaalsContact C-N 3.31Å; E284-N286 PolarHBondContact O-N 3.2Å; E284-K288 IonicContact OE2-NZ 2.68Å; E284-K288 PolarHBondContact OE2-NZ 3.49Å | ||
| 285 | L | 50.3 | Low | 51 | Low | 184 Ų | 184 | 134.1 Ų | 134.1 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | trans | -87.3 | 63 | 166.2 | -76.1 | -179.8 | 0 | 0 | 0 | 112.5 | ||||
| 286 | N | 51.6 | Low | 51 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -146.5 | 150 | 164.8 | -148.6 | -31.6 | 0 | 0 | 0 | 112.5 | E284 K288 | E284-N286 VanDerWaalsContact C-N 3.31Å; E284-N286 PolarHBondContact O-N 3.2Å; N286-K288 PolarHBondContact O-N 2.83Å |
| 287 | R | 53.1 | Low | 51.3 | Low | 240 Ų | 240 | 132.5 Ų | 132.5 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 66.8 | -4.8 | 171.1 | -57.4 | -169.2 | 174.1 | -168.6 | -1.1 | 121.3 | ||
| 288 | K | 52.2 | Low | 51.1 | Low | 150 Ų | 150 | 130 Ų | 130 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -112 | -8.9 | 179.6 | -67.9 | 170.6 | -171.1 | 156.1 | 0 | 116.9 | E284 N286 | E284-K288 IonicContact OE2-NZ 2.68Å; E284-K288 PolarHBondContact OE2-NZ 3.49Å; N286-K288 PolarHBondContact O-N 2.83Å |
| 289 | A | 47.1 | Very low | 51.1 | Low | 98 Ų | 98 | 127.8 Ų | 127.8 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -8.1 | -170 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 290 | F | 47.9 | Very low | 51.5 | Low | 198 Ų | 198 | 125.2 Ų | 125.2 | 87% | 0.868 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 2.1 | -168.6 | -141.3 | -92.7 | 0 | 0 | 0 | 115.7 | ||
| 291 | N | 46.9 | Very low | 51.6 | Low | 101 Ų | 101 | 124.2 Ų | 124.2 | 54% | 0.54 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -107.6 | -7.9 | -178.3 | -112.3 | -67.5 | 0 | 0 | 0 | 114.6 | Q299 | N291-Q299 PolarHBondContact O-NE2 2.91Å; N291-Q299 PolarHBondContact OD1-NE2 3.21Å |
| 292 | S | 49.1 | Very low | 51.8 | Low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 10.9 | -174 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 293 | Q | 54 | Low | 52 | Low | 191 Ų | 191 | 123.4 Ų | 123.4 | 89% | 0.893 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 16 | 179.9 | -74.8 | -164.9 | -33.6 | 0 | 0 | 114.1 | ||
| 294 | L | 49.5 | Very low | 51.7 | Low | 79 Ų | 79 | 123 Ų | 123 | 41% | 0.414 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -108.8 | 136 | 173.8 | -63.6 | 178.5 | 0 | 0 | 0 | 110.4 | L298 | L294-L298 HydrophobicContact CD2-CD1 4.18Š|
| 295 | S | 55.6 | Low | 51.7 | Low | 68 Ų | 68 | 123.3 Ų | 123.3 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | trans | -56.3 | 142 | 172.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | S297 L298 | S295-S297 PolarHBondContact O-N 3.2Å; S295-L298 PolarHBondContact O-N 2.74Å | ||
| 296 | P | 56.9 | Low | 51.5 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55.1 | -24.8 | -176.8 | 19.8 | -33.2 | 0 | 0 | 0 | 114.2 | L298 | P296-L298 VanDerWaalsContact C-N 3.28Å; P296-L298 PolarHBondContact O-N 2.96Å |
| 297 | S | 52.5 | Low | 51.2 | Low | 77 Ų | 77 | 119.3 Ų | 119.3 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.1 | -31.7 | 173.9 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | S295 | S295-S297 PolarHBondContact O-N 3.2Å |
| 298 | L | 53.7 | Low | 50.5 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 41% | 0.408 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -83 | -30.6 | -174.9 | -71.8 | 172.7 | 0 | 0 | 0 | 113.4 | L294 S295 P296 L300 Q301 L302 | L294-L298 HydrophobicContact CD2-CD1 4.18Å; S295-L298 PolarHBondContact O-N 2.74Å; P296-L298 VanDerWaalsContact C-N 3.28Å; P296-L298 PolarHBondContact O-N 2.96Å; L298-L300 VanDerWaalsContact C-N 3.33Å; L298-Q301 PolarHBondContact O-N 3.13Å; L298-L302 PolarHBondContact O-N 3.37Å |
| 299 | Q | 56.9 | Low | 49.7 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 36% | 0.36 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -36.4 | 175.5 | -76.7 | 177.6 | -35.4 | 0 | 0 | 111.7 | N291 L302 N303 | N291-Q299 PolarHBondContact O-NE2 2.91Å; N291-Q299 PolarHBondContact OD1-NE2 3.21Å; Q299-L302 PolarHBondContact O-N 3.25Å; Q299-N303 PolarHBondContact O-N 2.68Å |
| 300 | L | 53.8 | Low | 49.3 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 63% | 0.634 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.6 | -44.2 | 175.8 | -71.2 | 166.9 | 0 | 0 | 0 | 112.1 | L298 L302 N303 S304 | L298-L300 VanDerWaalsContact C-N 3.33Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.02Å; L300-N303 PolarHBondContact O-N 3.28Å; L300-S304 PolarHBondContact O-N 2.99Å; L300-S304 VanDerWaalsContact O-N 3.07Å; L300-S304 PolarHBondContact O-OG 3.32Å |
| 301 | Q | 53.3 | Low | 48.7 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.2 | -34.3 | 178.8 | -71.6 | -170.4 | -97.6 | 0 | 0 | 113.6 | L298 L305 | L298-Q301 PolarHBondContact O-N 3.13Å; Q301-L305 PolarHBondContact O-N 3.38Å |
| 302 | L | 53.3 | Low | 48.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.1 | -39.3 | -180 | -71.4 | 169.4 | 0 | 0 | 0 | 112.3 | L298 Q299 L300 L305 S306 | L298-L302 PolarHBondContact O-N 3.37Å; Q299-L302 PolarHBondContact O-N 3.25Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.02Å; L302-L305 PolarHBondContact O-N 2.87Å; L302-S306 PolarHBondContact O-OG 3.32Å |
| 303 | N | 53.8 | Low | 47.7 | Very low | 124 Ų | 124 | 118 Ų | 118 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 175 | -77.7 | -2.6 | 0 | 0 | 0 | 111.8 | Q299 L300 L305 S306 | Q299-N303 PolarHBondContact O-N 2.68Å; L300-N303 PolarHBondContact O-N 3.28Å; N303-L305 PolarHBondContact O-N 2.95Å; N303-S306 WeakPolarHBondContact O-CB 3.46Å; N303-S306 PolarHBondContact O-N 2.73Å |
| 304 | S | 46 | Very low | 46.7 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.4 | -20.1 | 177.8 | -65.6 | 0 | 0 | 0 | 0 | 114.6 | L300 S306 | L300-S304 PolarHBondContact O-N 2.99Å; L300-S304 VanDerWaalsContact O-N 3.07Å; L300-S304 PolarHBondContact O-OG 3.32Å; S304-S306 VanDerWaalsContact C-N 3.29Å |
| 305 | L | 47.8 | Very low | 46.1 | Very low | 145 Ų | 145 | 120 Ų | 120 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -8.8 | 175.8 | -144.1 | 73.1 | 0 | 0 | 0 | 113.4 | Q301 L302 N303 | Q301-L305 PolarHBondContact O-N 3.38Å; L302-L305 PolarHBondContact O-N 2.87Å; N303-L305 PolarHBondContact O-N 2.95Å |
| 306 | S | 47.3 | Very low | 45.2 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -4.8 | -172.9 | -57.5 | 0 | 0 | 0 | 0 | 114.7 | L302 N303 S304 | L302-S306 PolarHBondContact O-OG 3.32Å; N303-S306 WeakPolarHBondContact O-CB 3.46Å; N303-S306 PolarHBondContact O-N 2.73Å; S304-S306 VanDerWaalsContact C-N 3.29Å |
| 307 | T | 44.4 | Very low | 44.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -122.5 | 10.8 | -171.5 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 308 | A | 39.6 | Very low | 44.6 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -107.4 | 48.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 309 | S | 35.1 | Very low | 44.4 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -159.9 | 84.2 | 159.9 | 66.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 310 | M | 37.3 | Very low | 44.2 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 98% | 0.975 | 75% | 0.751 | S | S | * | * | trans | -109.7 | 103.7 | 149.2 | -86.1 | -152.8 | -75.5 | 0 | 0 | 109.1 | ||||
| 311 | I | 36.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -131.7 | 135.6 | 169.2 | -42.2 | 179.5 | 0 | 0 | 0 | 107.5 | ||||
| 312 | K | 40.3 | Very low | 44.4 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -93.7 | 118.6 | -168.8 | 175.4 | 178.2 | 176.4 | 177 | 0 | 111.3 | ||||
| 313 | S | 33.8 | Very low | 44.7 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -149.3 | 119.2 | 169.2 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 314 | E | 32.8 | Very low | 45.2 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 28.8 | 129.4 | 144.8 | -149.6 | 171.8 | 149 | 0 | 0 | 121.4 | S316 | E314-S316 PolarHBondContact O-N 3.39Š| ||
| 315 | P | 36.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -76.2 | 86.5 | -179 | 32.7 | -35.9 | 0 | 0 | 0 | 113 | ||||
| 316 | S | 37.6 | Very low | 46.3 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -74.2 | 125.5 | 172.3 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | E314 R318 | E314-S316 PolarHBondContact O-N 3.39Å; S316-R318 PolarHBondContact O-N 3.33Å | ||
| 317 | N | 47.4 | Very low | 46.8 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 118.8 | -169.6 | -169.3 | 0.3 | 0 | 0 | 0 | 113 | ||||
| 318 | R | 50 | Low | 47.1 | Very low | 221 Ų | 221 | 133.9 Ų | 133.9 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -141.2 | 130.7 | 165.9 | -67.3 | -170.8 | 179.2 | -161.4 | -0.1 | 109.6 | S316 | S316-R318 PolarHBondContact O-N 3.33Š| ||
| 319 | P | 49.6 | Very low | 47.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 135.6 | 179 | 28.7 | -33.9 | 0 | 0 | 0 | 111.1 | ||||
| 320 | S | 52.2 | Low | 47.5 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -69.6 | 150.4 | 165.1 | -170 | 0 | 0 | 0 | 0 | 110.1 | S322 | S320-S322 PolarHBondContact O-N 2.97Š| ||
| 321 | F | 50.4 | Low | 47.5 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | -80.8 | 71.9 | 176.5 | -169.4 | -95.9 | 0 | 0 | 0 | 110.4 | I326 | F321-I326 HydrophobicContact CE1-CD1 3.83Å; F321-I326 HydrophobicContact CE2-CD1 4.08Å; F321-I326 HydrophobicContact CE2-CG1 4.48Å; F321-I326 HydrophobicContact CZ-CD1 3.49Å; F321-I326 VanDerWaalsContact CZ-CD1 3.49Å; F321-I326 HydrophobicContact CZ-CG1 4.35Å | ||
| 322 | S | 61.1 | Low | 47.5 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 41% | 0.406 | 74% | 0.738 | S | S | . | * | trans | -90.3 | 148 | 170.9 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | S320 E324 N325 | S320-S322 PolarHBondContact O-N 2.97Å; S322-E324 VanDerWaalsContact C-N 3.26Å; S322-E324 WeakPolarHBondContact CB-OE2 3.22Å; S322-E324 PolarHBondContact O-N 3.35Å; S322-N325 PolarHBondContact O-N 3.47Å; S322-N325 VanDerWaalsContact O-N 3.15Å | ||
| 323 | I | 59 | Low | 47.3 | Very low | 118 Ų | 118 | 125 Ų | 125 | 61% | 0.605 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -66.3 | -29.6 | -170 | -63.9 | 171.6 | 0 | 0 | 0 | 111.6 | N325 I326 I327 | I323-N325 PolarHBondContact O-N 3.19Å; I323-I326 WeakPolarHBondContact O-CB 3.45Å; I323-I326 PolarHBondContact O-N 3.05Å; I323-I327 HydrophobicContact CG2-CD1 4.49Å |
| 324 | E | 63.6 | Low | 47.3 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -59.2 | -27.3 | 176.7 | -59.5 | 77.6 | -170.4 | 0 | 0 | 112.6 | S322 I326 | S322-E324 VanDerWaalsContact C-N 3.26Å; S322-E324 WeakPolarHBondContact CB-OE2 3.22Å; S322-E324 PolarHBondContact O-N 3.35Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.15Å |
| 325 | N | 55.4 | Low | 47.4 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -87.4 | 3.3 | -179.9 | -151.3 | 99.8 | 0 | 0 | 0 | 113.2 | S322 I323 | S322-N325 PolarHBondContact O-N 3.47Å; S322-N325 VanDerWaalsContact O-N 3.15Å; I323-N325 PolarHBondContact O-N 3.19Å |
| 326 | I | 61.3 | Low | 47.3 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 53% | 0.528 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -37.1 | 175.1 | -53.5 | 173.6 | 0 | 0 | 0 | 110.2 | F321 I323 E324 G328 | F321-I326 HydrophobicContact CE1-CD1 3.83Å; F321-I326 HydrophobicContact CE2-CD1 4.08Å; F321-I326 HydrophobicContact CE2-CG1 4.48Å; F321-I326 HydrophobicContact CZ-CD1 3.49Å; F321-I326 VanDerWaalsContact CZ-CD1 3.49Å; F321-I326 HydrophobicContact CZ-CG1 4.35Å; I323-I326 WeakPolarHBondContact O-CB 3.45Å; I323-I326 PolarHBondContact O-N 3.05Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.15Å; I326-G328 PolarHBondContact O-N 3.29Å |
| 327 | I | 59.2 | Low | 47.7 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -88 | 96.4 | 176.7 | -53.8 | 176.3 | 0 | 0 | 0 | 107.7 | I323 V329 | I323-I327 HydrophobicContact CG2-CD1 4.49Å; I327-V329 VanDerWaalsContact C-N 3.32Å; I327-V329 PolarHBondContact O-N 2.77Å |
| 328 | G | 50 | Low | 46.8 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -65.7 | 78.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I326 | I326-G328 PolarHBondContact O-N 3.29Š| ||
| 329 | V | 43.7 | Very low | 45.9 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | trans | -95.2 | 95.9 | 170.4 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | I327 S331 | I327-V329 VanDerWaalsContact C-N 3.32Å; I327-V329 PolarHBondContact O-N 2.77Å; V329-S331 PolarHBondContact O-N 3Å | ||
| 330 | S | 39.4 | Very low | 45.2 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | -74.1 | 86.7 | -179.3 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 331 | S | 36.5 | Very low | 44.4 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -91.4 | 95.9 | 171 | 58 | 0 | 0 | 0 | 0 | 111.4 | V329 | V329-S331 PolarHBondContact O-N 3Š| ||
| 332 | S | 36.7 | Very low | 43.5 | Very low | 121 Ų | 121 | 112 Ų | 112 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -70.1 | 154.2 | 172.8 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 333 | S | 35.9 | Very low | 42.1 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -76.2 | 133 | -169.6 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 334 | S | 35 | Very low | 40.9 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 40.5 | 124 | 141.1 | 63.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 335 | V | 33.8 | Very low | 39.5 | Very low | 144 Ų | 144 | 124 Ų | 124 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | -173.9 | 146.6 | 123.4 | 138.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 336 | T | 35.8 | Very low | 39.4 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -127.1 | 162.8 | 165 | 53.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 337 | P | 44.7 | Very low | 39.1 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | -133.4 | 179.7 | 14.6 | 42.5 | -25.7 | 0 | 0 | 0 | 115.7 | ||||
| 338 | G | 29.6 | Very low | 37.8 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | 170.5 | 151.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 339 | A | 31.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -130.7 | 129 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 340 | A | 34.2 | Very low | 36.8 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -166.2 | 134.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 341 | Q | 34.7 | Very low | 36.5 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | 53.6 | 120.4 | 60 | -56.1 | -70.4 | 4.7 | 0 | 0 | 112.3 | |||||
| 342 | A | 31.8 | Very low | 36.4 | Very low | 60 Ų | 60 | 128.2 Ų | 128.2 | 50% | 0.496 | 78% | 0.779 | S | S | . | * | cis | -167.8 | -172.9 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 343 | F | 32.4 | Very low | 36.2 | Very low | 185 Ų | 185 | 127.3 Ų | 127.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 91.9 | 112 | 154.5 | -57.2 | -62.8 | 0 | 0 | 0 | 122.5 | ||||
| 344 | L | 33.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 80.5 | 101.8 | 130.6 | -60.2 | 173 | 0 | 0 | 0 | 122.9 | ||||
| 345 | R | 33.7 | Very low | 36.6 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -58.8 | 179.7 | 139.9 | -90.3 | -179.6 | 73.7 | 119.6 | -3.2 | 112.3 | ||||
| 346 | P | 53.3 | Low | 36.7 | Very low | 92 Ų | 92 | 131 Ų | 131 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | cis | -133.4 | -123.9 | -37.3 | 36.5 | -15.1 | 0 | 0 | 0 | 108.8 | ||||
| 347 | P | 55.1 | Low | 36.8 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | -88.3 | -136.8 | -71.3 | 24.6 | -3.9 | 0 | 0 | 0 | 110.4 | |||||
| 348 | V | 33 | Very low | 36.5 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | cis | -148.8 | -177.1 | 4.8 | -133.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 349 | T | 37 | Very low | 37 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | -137.7 | 177.5 | 177.9 | 36.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 350 | V | 35.3 | Very low | 37.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 87.5 | 143.5 | 157.8 | -142.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 351 | Q | 32.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 81.7 | 122.6 | 166.6 | -49.8 | -168.6 | 6.4 | 0 | 0 | 116.2 | ||||
| 352 | S | 36.1 | Very low | 37.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | cis | 95.6 | 106.8 | 27.4 | -61.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 353 | A | 32.3 | Very low | 37.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -153.5 | 149.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | L | 37.9 | Very low | 37.6 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 161.1 | 173.6 | -67 | 79.9 | 0 | 0 | 0 | 110.7 | ||||
| 355 | L | 40.1 | Very low | 37.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -154.7 | 137.4 | 137 | -137.2 | 71.4 | 0 | 0 | 0 | 114.5 | ||||
| 356 | S | 36.4 | Very low | 38 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 21.9 | 134.2 | 153.3 | 58.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 357 | A | 38.2 | Very low | 37.2 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -79.3 | 162 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 358 | Q | 38.8 | Very low | 36.3 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -146.2 | 145 | 155.1 | -111.2 | 172.5 | 41.7 | 0 | 0 | 111 | ||||
| 359 | S | 38.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -103.9 | 136.7 | -177.7 | 55 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 360 | L | 37.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -122.7 | 136.8 | 170.9 | -69.3 | 175.5 | 0 | 0 | 0 | 111.1 | ||||
| 361 | S | 33.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -89.1 | 141.2 | -173.9 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | T363 | S361-T363 PolarHBondContact O-N 3.47Š| ||
| 362 | L | 36.6 | Very low | 37.6 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | trans | -85.9 | 109.5 | 176.3 | -164.8 | 72.7 | 0 | 0 | 0 | 110.2 | ||||
| 363 | T | 38.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 83% | 0.831 | S | S | * | * | trans | -80.4 | 131.2 | 175.3 | 37.5 | 0 | 0 | 0 | 0 | 111.6 | S361 | S361-T363 PolarHBondContact O-N 3.47Š| ||
| 364 | R | 33 | Very low | 37.9 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -96 | 105 | -177.3 | 177.9 | -169.3 | 178.4 | -150.2 | 2 | 110.8 | ||||
| 365 | T | 37.8 | Very low | 38.3 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -92.9 | 132.6 | 167.7 | -7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 366 | S | 37.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -114.5 | 130.4 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 367 | A | 35.6 | Very low | 39 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -135.4 | 132.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 368 | A | 37.6 | Very low | 38.9 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -115.9 | 143.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 369 | I | 40.4 | Very low | 39 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -133.1 | 134.4 | 172.7 | -60.5 | -179.3 | 0 | 0 | 0 | 107.5 | ||||
| 370 | A | 39.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -90.1 | 154 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 371 | P | 44.7 | Very low | 39.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 140.9 | 173.8 | 32.9 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 372 | I | 39.8 | Very low | 39.2 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -106.3 | 111.8 | 167.8 | 37.2 | 172.3 | 0 | 0 | 0 | 110 | ||||
| 373 | L | 38.2 | Very low | 39.3 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 138.7 | 169.3 | -97.7 | 158 | 0 | 0 | 0 | 109.7 | ||||
| 374 | S | 37.2 | Very low | 39.2 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 137.1 | 163.7 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 375 | V | 46.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | -138.3 | 133 | -174.7 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 376 | P | 47 | Very low | 40.4 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -95.2 | 132.8 | 166.4 | 34 | -28.3 | 0 | 0 | 0 | 111.4 | ||||
| 377 | S | 43 | Very low | 40.3 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 134.4 | 175.3 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 378 | N | 36.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -164.1 | 129.7 | 156.9 | -87.5 | -44.3 | 0 | 0 | 0 | 106.8 | ||||
| 379 | I | 40.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | 71 | 126.1 | 47 | -57.4 | 172.2 | 0 | 0 | 0 | 110.7 | ||||
| 380 | I | 41.8 | Very low | 40.6 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | cis | 174.8 | 134.9 | -21 | -105.8 | 159.3 | 0 | 0 | 0 | 104.1 | ||||
| 381 | S | 36.3 | Very low | 40.8 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 149.5 | 145.7 | 159.7 | -74 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | G | 36.9 | Very low | 40.8 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | 164.4 | 156.1 | -9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 383 | H | 37.9 | Very low | 41.2 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 85.3 | 108.4 | 158.2 | -145.3 | -115.4 | 0 | 0 | 0 | 121.8 | ||||
| 384 | V | 37.1 | Very low | 41.6 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 89.5 | 145.2 | 133.5 | 157.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 385 | L | 39.7 | Very low | 42.1 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -98.7 | -166.1 | 179.8 | -67.2 | 163.1 | 0 | 0 | 0 | 110.3 | ||||
| 386 | P | 54.4 | Low | 41.8 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -137.9 | 175.5 | -5.1 | 43.8 | -26.8 | 0 | 0 | 0 | 117.3 | ||||
| 387 | S | 35 | Very low | 42.5 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 82.5 | 153.4 | 141.1 | -148.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 388 | A | 38.6 | Very low | 43 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | trans | 99.1 | 100.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 389 | T | 39.9 | Very low | 43.8 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | 78 | 155.8 | 126.6 | 59.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 390 | A | 42.6 | Very low | 43.9 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 68.6 | 130.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 391 | A | 42.3 | Very low | 44 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | cis | 98.2 | 91.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 392 | A | 44.8 | Very low | 44.5 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -171.5 | 142.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 393 | V | 48.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | cis | 86.1 | 79.3 | 6.6 | -164.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 394 | S | 47.5 | Very low | 45.4 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -170.2 | 133.6 | 147.5 | 50.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 395 | K | 47.6 | Very low | 45.9 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | cis | 100.8 | 79.9 | 8.4 | -155.7 | -168.2 | 177.2 | -179.1 | 0 | 117 | ||||
| 396 | W | 39.8 | Very low | 46.4 | Very low | 212 Ų | 212 | 133.1 Ų | 133.1 | 80% | 0.803 | 81% | 0.811 | S | S | * | * | trans | 67.1 | 171.1 | 149.9 | -75.7 | 102.9 | 0 | 0 | 0 | 115.5 | S398 | W396-S398 VanDerWaalsContact CZ3-OG 3.29Å; W396-S398 WeakPolarHBondContact CZ3-OG 3.2Å | ||
| 397 | P | 63.2 | Low | 45.7 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -128 | 174.3 | 22.8 | 43.7 | -27.6 | 0 | 0 | 0 | 118.2 | ||||
| 398 | S | 52.9 | Low | 46.6 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 82% | 0.817 | S | S | * | * | trans | -79.8 | 166.5 | 168.7 | -36.7 | 0 | 0 | 0 | 0 | 112.7 | W396 | W396-S398 VanDerWaalsContact CZ3-OG 3.29Å; W396-S398 WeakPolarHBondContact CZ3-OG 3.2Å | ||
| 399 | Q | 52.3 | Low | 47.4 | Very low | 266 Ų | 266 | 142.1 Ų | 142.1 | 100% | 1.243 | 84% | 0.838 | S | S | * | * | -114.2 | 0 | 125.9 | -75.5 | -165.9 | -20.3 | 0 | 0 | 108.5 |
Retrieved 399 of 399 residues in 294.9 ms
(Link to these results)