| 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 | 41.2 | Very low | 48.2 | Very low | 231 Ų | 231 | 137.5 Ų | 137.5 | 100% | 1.138 | 75% | 0.745 | S | S | * | * | 0 | 95.8 | 0 | -66.3 | 171.3 | 179.7 | 0 | 0 | 104.8 | |||||
| 2 | H | 42.8 | Very low | 47.6 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | 82.1 | 93.6 | 89.9 | -80.5 | 0.9 | 0 | 0 | 0 | 109.2 | |||||
| 3 | T | 38.1 | Very low | 47.7 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | 92.1 | 109.4 | 68.6 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 4 | D | 54.1 | Low | 47.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | 65.5 | 176.2 | 129 | -48.4 | -32.9 | 0 | 0 | 0 | 115.9 | |||||
| 5 | P | 64.8 | Low | 46.8 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -139 | 162.9 | 10.4 | 40 | -19.5 | 0 | 0 | 0 | 119.1 | ||||
| 6 | D | 46.6 | Very low | 46.3 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | 35.3 | 139.8 | 127.9 | -45.3 | -37.9 | 0 | 0 | 0 | 123.2 | |||||
| 7 | T | 51.5 | Low | 45.8 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -161.1 | 87.8 | 130.8 | -57.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 8 | D | 47.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | 87.1 | 115.3 | 97.9 | -74.9 | -33.3 | 0 | 0 | 0 | 113 | |||||
| 9 | M | 49.5 | Very low | 44.9 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | 70.3 | 146.8 | 89.6 | -75.9 | -158.9 | 158.3 | 0 | 0 | 114 | |||||
| 10 | D | 44 | Very low | 45.4 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -167.4 | 165.6 | -20.7 | -97 | -14.1 | 0 | 0 | 0 | 104.4 | ||||
| 11 | T | 49.6 | Very low | 45 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | -178.2 | 140.6 | 60.4 | 15.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 12 | D | 41.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 34.2 | 136.4 | 132.5 | -51.3 | -32.6 | 0 | 0 | 0 | 121.2 | ||||
| 13 | T | 48.3 | Very low | 44.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | -152.8 | 136.1 | 75.5 | -18.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 14 | E | 41.3 | Very low | 44.4 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -30.5 | 155.1 | 161.9 | -132.6 | -178.7 | 138.5 | 0 | 0 | 120.4 | ||||
| 15 | T | 41.8 | Very low | 43.6 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | -177 | 104 | 114.9 | -69.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 16 | T | 37.5 | Very low | 42.1 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | 51.7 | 127 | 130.2 | -36.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 17 | A | 38.4 | Very low | 41.5 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -82.6 | -165.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 18 | L | 35.1 | Very low | 42.3 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 112.3 | 124 | 150.9 | -71.6 | 145.9 | 0 | 0 | 0 | 119.1 | ||||
| 19 | C | 40.3 | Very low | 42.7 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -67.6 | 168 | 157.8 | -51.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | P | 53.2 | Low | 41.9 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | -144.6 | -178.4 | 112.5 | 36 | -20.2 | 0 | 0 | 0 | 115.8 | |||||
| 21 | S | 36.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 168.2 | -170.4 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 22 | G | 35.5 | Very low | 41.6 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 145 | 89.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 23 | S | 37.7 | Very low | 41.4 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 65.9 | 116.3 | 126.9 | -153 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 24 | R | 37.1 | Very low | 41.7 | Very low | 221 Ų | 221 | 128 Ų | 128 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 166.9 | 116.2 | 108.6 | -87.1 | 176.4 | -170.4 | -120.7 | -2.6 | 111.4 | |||||
| 25 | R | 36.8 | Very low | 41.4 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 77.8 | 126.4 | 102 | -139.9 | 177.5 | -163.3 | -130.1 | 4.6 | 112.7 | |||||
| 26 | A | 34.3 | Very low | 41.2 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | cis | -150.1 | -177.8 | 41.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 27 | S | 34.6 | Very low | 40.9 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -164.2 | -176.5 | -171.3 | -44.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 28 | P | 67.6 | Low | 40.7 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | -112.6 | -95.9 | -50.3 | 28.3 | -7.9 | 0 | 0 | 0 | 107.9 | |||||
| 29 | P | 56 | Low | 40.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | cis | -100.8 | -168.9 | -28.7 | 41.3 | -30.1 | 0 | 0 | 0 | 112.5 | ||||
| 30 | G | 33.2 | Very low | 40.5 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 166.1 | 7.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 31 | T | 38.8 | Very low | 39.8 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 132.9 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 32 | P | 46.8 | Very low | 39.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -107.2 | 147.3 | 165.7 | 36.5 | -28 | 0 | 0 | 0 | 113 | ||||
| 33 | T | 38.3 | Very low | 39.7 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -135.5 | -175.3 | 161 | 54.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 34 | P | 55.3 | Low | 40 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -118.3 | 167.4 | -80.9 | 38 | -24.7 | 0 | 0 | 0 | 111.5 | |||||
| 35 | E | 33.2 | Very low | 39.8 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -133.5 | 149.8 | 158 | -73.5 | -160.8 | 149.1 | 0 | 0 | 111.2 | ||||
| 36 | A | 38.2 | Very low | 39.5 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -102.5 | 147.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 37 | D | 31.9 | Very low | 39.4 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -143.3 | 160.7 | 149.9 | -146.2 | -16 | 0 | 0 | 0 | 111.2 | ||||
| 38 | T | 34.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | trans | -114.8 | 174.7 | -166.3 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | T | 32.5 | Very low | 37.4 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 99.4 | 152.1 | 160 | 78.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 40 | L | 38.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 82.5 | 76.8 | 162.3 | -55 | -176.1 | 0 | 0 | 0 | 120.8 | ||||
| 41 | L | 37.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | 14.5 | 117.1 | 114.2 | -71.7 | 154.9 | 0 | 0 | 0 | 117.9 | |||||
| 42 | K | 32 | Very low | 36 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | 178.1 | 124.8 | 117.2 | -97.2 | 160.2 | -176.7 | 175.8 | 0 | 114.2 | |||||
| 43 | K | 38.4 | Very low | 35.6 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 159.7 | 141.4 | -101.3 | 179.7 | 179.5 | -179.5 | 0 | 107.5 | ||||
| 44 | P | 43.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -151.7 | -168.9 | 55.8 | 42.1 | -19.5 | 0 | 0 | 0 | 118 | |||||
| 45 | E | 33.4 | Very low | 34.5 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -40.8 | 172.3 | -177.5 | -50.5 | 179.6 | 140.9 | 0 | 0 | 122.3 | ||||
| 46 | K | 30.2 | Very low | 34.7 | Very low | 186 Ų | 186 | 149 Ų | 149 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | trans | 89.4 | 114.4 | 159.6 | -62.6 | -176.4 | -179.9 | 178.5 | 0 | 118.2 | ||||
| 47 | L | 32.7 | Very low | 35 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | -158.2 | 140.4 | 117.1 | -105.5 | 164.7 | 0 | 0 | 0 | 110.6 | |||||
| 48 | L | 29.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -140.3 | 144.7 | 178.7 | -109.6 | 172.5 | 0 | 0 | 0 | 107.3 | ||||
| 49 | A | 30.6 | Very low | 35.5 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | 65 | 149.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 50 | E | 32.7 | Very low | 36 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -136.1 | 178.7 | 3.5 | -81.8 | -157 | 113.7 | 0 | 0 | 108.3 | ||||
| 51 | L | 34.7 | Very low | 36.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 63% | 0.628 | 82% | 0.816 | S | S | * | * | cis | -159.9 | 151.5 | 0.4 | -132.5 | 165.1 | 0 | 0 | 0 | 108.4 | R53 | L51-R53 HydrophobicContact CD2-CG 4.33Š| ||
| 52 | D | 31.1 | Very low | 36.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | -160.5 | 149.1 | 127.5 | -154.8 | 2.7 | 0 | 0 | 0 | 113 | |||||
| 53 | R | 39.2 | Very low | 37 | Very low | 222 Ų | 222 | 139.8 Ų | 139.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -127.2 | 124.8 | 178 | -83.6 | 179.9 | 164.3 | -163.3 | -0.4 | 110.2 | L51 | L51-R53 HydrophobicContact CD2-CG 4.33Š| ||
| 54 | S | 38.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -155.3 | 152.7 | 149.2 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 55 | G | 32.6 | Very low | 37.4 | Very low | 67 Ų | 67 | 148 Ų | 148 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -155.6 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 56 | L | 36.5 | Very low | 38 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | 88.4 | 155.3 | 166.8 | -59.3 | 164.5 | 0 | 0 | 0 | 116.3 | ||||
| 57 | P | 45.4 | Very low | 38.4 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | cis | -124 | -171.1 | 2.4 | 40.2 | -24.5 | 0 | 0 | 0 | 114.8 | ||||
| 58 | S | 34.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -104.9 | 151.7 | -173.9 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 59 | V | 41.3 | Very low | 40.1 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -135.2 | 140.1 | 166.3 | 179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 60 | P | 43.8 | Very low | 41.1 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -94.9 | 152.4 | -167.6 | 36.1 | -34.9 | 0 | 0 | 0 | 114.5 | ||||
| 61 | G | 42.7 | Very low | 41.8 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 122.9 | 73.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 62 | A | 42.3 | Very low | 42 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -162.6 | 142.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R64 | A62-R64 PolarHBondContact O-N 3.22Š| ||
| 63 | P | 44 | Very low | 42.5 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 124.1 | -178.6 | 28.5 | -33.6 | 0 | 0 | 0 | 111.5 | R65 | P63-R65 PolarHBondContact O-N 3.35Š|
| 64 | R | 42.4 | Very low | 42.4 | Very low | 247 Ų | 247 | 142.6 Ų | 142.6 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71 | 126.5 | 177.6 | -80.5 | -175.3 | 158.1 | -146 | -5.6 | 111.2 | A62 R66 | A62-R64 PolarHBondContact O-N 3.22Å; R64-R66 PolarHBondContact O-N 3.41Å |
| 65 | R | 46.6 | Very low | 42.6 | Very low | 244 Ų | 244 | 144.8 Ų | 144.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.7 | 168.5 | -72.9 | 177.5 | 171.1 | -111.7 | 0.3 | 110.1 | P63 G67 | P63-R65 PolarHBondContact O-N 3.35Å; R65-G67 PolarHBondContact O-N 3.41Å |
| 66 | R | 47.2 | Very low | 43.1 | Very low | 246 Ų | 246 | 149.4 Ų | 149.4 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 100.1 | 169.6 | -179.4 | 177.4 | -73.5 | -124.5 | 0.3 | 108.5 | R64 S68 | R64-R66 PolarHBondContact O-N 3.41Å; R66-S68 PolarHBondContact O-N 3.42Å | ||
| 67 | G | 38.9 | Very low | 43.5 | Very low | 64 Ų | 64 | 149.1 Ų | 149.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R65 M69 | R65-G67 PolarHBondContact O-N 3.41Å; G67-M69 PolarHBondContact O-N 2.88Å |
| 68 | S | 48.9 | Very low | 43.4 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 119.7 | 171.4 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | R66 | R66-S68 PolarHBondContact O-N 3.42Š|
| 69 | M | 48.1 | Very low | 44 | Very low | 168 Ų | 168 | 161.3 Ų | 161.3 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145 | 172.6 | -71.6 | -176.1 | 61.7 | 0 | 0 | 110.7 | G67 V71 | G67-M69 PolarHBondContact O-N 2.88Å; M69-V71 PolarHBondContact O-N 3.25Å |
| 70 | P | 51.6 | Low | 43.8 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 130.1 | 170.5 | 17.1 | -11.9 | 0 | 0 | 0 | 110.1 | ||
| 71 | V | 47 | Very low | 43.5 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 141.6 | -179.5 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | M69 | M69-V71 PolarHBondContact O-N 3.25Š|
| 72 | P | 39.9 | Very low | 43.1 | Very low | 98 Ų | 98 | 162.2 Ų | 162.2 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 146.2 | -171.9 | -26.1 | 35.8 | 0 | 0 | 0 | 115.6 | K74 | P72-K74 PolarHBondContact O-N 3.33Š|
| 73 | Y | 41.7 | Very low | 43.1 | Very low | 208 Ų | 208 | 165 Ų | 165 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 51.7 | -178.7 | -168.8 | -101.3 | 0 | 0 | 0 | 113.8 | ||
| 74 | K | 37.4 | Very low | 42.7 | Very low | 189 Ų | 189 | 166 Ų | 166 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 1.4 | 179.3 | -76.9 | -165 | 173 | -173.2 | 0 | 115.8 | P72 | P72-K74 PolarHBondContact O-N 3.33Š|
| 75 | H | 41.5 | Very low | 42.7 | Very low | 170 Ų | 170 | 162.9 Ų | 162.9 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -109.3 | 14.2 | -177 | -65.6 | -75.8 | 0 | 0 | 0 | 115.4 | ||
| 76 | Q | 44.2 | Very low | 42.4 | Very low | 164 Ų | 164 | 159.8 Ų | 159.8 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -104.9 | 0.9 | -178.4 | -71.5 | -167.5 | -5 | 0 | 0 | 115.7 | ||
| 77 | L | 44 | Very low | 41.8 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -133.1 | 73.2 | -178.6 | -86.4 | 161 | 0 | 0 | 0 | 112.5 | ||
| 78 | R | 44.1 | Very low | 42.2 | Very low | 235 Ų | 235 | 160.6 Ų | 160.6 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -153.9 | 51.9 | 157.7 | -142.5 | -178.8 | -156.5 | -157.8 | 4.8 | 112.9 | ||||
| 79 | R | 46.5 | Very low | 41.9 | Very low | 256 Ų | 256 | 159.5 Ų | 159.5 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -121.4 | 12.9 | 177.9 | -134.7 | 176.6 | -167.9 | 152.5 | 5.7 | 114.3 | ||
| 80 | A | 36.6 | Very low | 41.3 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -139.2 | 4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 81 | Q | 36.9 | Very low | 40.7 | Very low | 177 Ų | 177 | 159.8 Ų | 159.8 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -144.1 | 77.8 | -178.8 | -73.9 | -174.1 | -28 | 0 | 0 | 110.8 | ||||
| 82 | A | 34.9 | Very low | 40 | Very low | 101 Ų | 101 | 158.8 Ų | 158.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -157.1 | 54.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 83 | V | 43.5 | Very low | 39.8 | Very low | 143 Ų | 143 | 159.1 Ų | 159.1 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -108.4 | 79.9 | 165.9 | -76.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 84 | D | 35.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -143.8 | 126.8 | 163.5 | -140.2 | 13.7 | 0 | 0 | 0 | 107.8 | ||
| 85 | E | 41.2 | Very low | 39.7 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | 23 | 95.7 | 176.9 | -56.2 | -161.9 | 132 | 0 | 0 | 119 | D87 | E85-D87 PolarHBondContact O-N 3.38Š| ||
| 86 | L | 40.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -80.8 | 101.6 | 151.9 | -88.2 | 167.2 | 0 | 0 | 0 | 109.1 | W88 | L86-W88 PolarHBondContact O-N 3.35Š| ||
| 87 | D | 36.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -67.6 | 91.1 | 172.1 | -167.4 | 15.8 | 0 | 0 | 0 | 110 | E85 | E85-D87 PolarHBondContact O-N 3.38Š| ||
| 88 | W | 47.1 | Very low | 39.1 | Very low | 174 Ų | 174 | 142 Ų | 142 | 66% | 0.659 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.1 | 176.2 | 179.1 | -82.6 | 0 | 0 | 0 | 109.2 | L86 | L86-W88 PolarHBondContact O-N 3.35Š|
| 89 | P | 42.5 | Very low | 38.8 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 62% | 0.623 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59 | 127.8 | -171.1 | 22.5 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 90 | P | 35.1 | Very low | 38.4 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 149.9 | 179.3 | 26.1 | -33.7 | 0 | 0 | 0 | 110.2 | A92 | P90-A92 PolarHBondContact O-N 3.42Š|
| 91 | Q | 38.7 | Very low | 39 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.4 | 178.2 | -59.9 | -173.6 | 5 | 0 | 0 | 110 | S93 | Q91-S93 VanDerWaalsContact C-N 3.28Å; Q91-S93 PolarHBondContact O-N 3.17Å |
| 92 | A | 33.3 | Very low | 39 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -65 | 88.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P90 S94 | P90-A92 PolarHBondContact O-N 3.42Å; A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3Å | ||
| 93 | S | 35.7 | Very low | 39.6 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 91.7 | 164.5 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | Q91 S95 | Q91-S93 VanDerWaalsContact C-N 3.28Å; Q91-S93 PolarHBondContact O-N 3.17Å; S93-S95 PolarHBondContact O-N 3.17Å | ||
| 94 | S | 36.5 | Very low | 39.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 101.6 | 171.9 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | A92 G96 | A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3Å; S94-G96 PolarHBondContact O-N 3.42Å | ||
| 95 | S | 40.6 | Very low | 40 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -58.7 | 118.1 | 173 | -13.4 | 0 | 0 | 0 | 0 | 109 | S93 S97 | S93-S95 PolarHBondContact O-N 3.17Å; S95-S97 PolarHBondContact O-N 3.34Å | ||
| 96 | G | 37.3 | Very low | 40 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 127.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S94 | S94-G96 PolarHBondContact O-N 3.42Š| ||
| 97 | S | 34.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -123.2 | 116.8 | 159.1 | -160.3 | 0 | 0 | 0 | 0 | 107.2 | S95 | S95-S97 PolarHBondContact O-N 3.34Š| ||
| 98 | S | 43.6 | Very low | 40.6 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 139.3 | 176 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | D | 39 | Very low | 40.5 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | 174.2 | 158.4 | 111.1 | -84.7 | -15.7 | 0 | 0 | 0 | 113.6 | |||||
| 100 | S | 38.6 | Very low | 40.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 82.6 | 83.3 | 164.5 | -53.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 101 | L | 48.6 | Very low | 41.6 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | 23.8 | 108.5 | 130.5 | -56.5 | 175.9 | 0 | 0 | 0 | 118.8 | ||||
| 102 | G | 37.2 | Very low | 42.7 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -156.6 | 116.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G104 | G102-G104 PolarHBondContact O-N 3.23Š| ||
| 103 | S | 48.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 113.4 Ų | 113.4 | 100% | 1 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 118.7 | -178 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | G | 39 | Very low | 47.5 | Very low | 66 Ų | 66 | 112.9 Ų | 112.9 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | -172.5 | 115.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G102 A106 | G102-G104 PolarHBondContact O-N 3.23Å; G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.33Å | ||
| 105 | E | 47.3 | Very low | 50.2 | Low | 209 Ų | 209 | 107.4 Ų | 107.4 | 98% | 0.977 | 71% | 0.706 | S | S | * | * | trans | -74.8 | 80.9 | -176.8 | -166.5 | 161.5 | 120.6 | 0 | 0 | 110.7 | A107 | E105-A107 PolarHBondContact O-N 2.92Š| ||
| 106 | A | 40.3 | Very low | 52.8 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -79.7 | 112.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G104 | G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.33Å | ||
| 107 | A | 47.5 | Very low | 55.5 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 146 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E105 A109 | E105-A107 PolarHBondContact O-N 2.92Å; A107-A109 PolarHBondContact O-N 3.15Å; A107-A109 VanDerWaalsContact O-N 3.16Å |
| 108 | P | 43.1 | Very low | 58.3 | Low | 120 Ų | 120 | 94.8 Ų | 94.8 | 78% | 0.779 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.4 | -173.3 | 24.3 | -34.2 | 0 | 0 | 0 | 111.1 | Q110 | P108-Q110 PolarHBondContact O-N 3.15Š|
| 109 | A | 45.3 | Very low | 60.8 | Low | 103 Ų | 103 | 90.2 Ų | 90.2 | 85% | 0.851 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A107 | A107-A109 PolarHBondContact O-N 3.15Å; A107-A109 VanDerWaalsContact O-N 3.16Å |
| 110 | Q | 50.6 | Low | 63.4 | Low | 134 Ų | 134 | 83.6 Ų | 83.6 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 136 | -170.2 | -70.8 | 177.8 | -13.9 | 0 | 0 | 112.2 | P108 D112 | P108-Q110 PolarHBondContact O-N 3.15Å; Q110-D112 HydrophobicContact CB-CB 3.86Å; Q110-D112 WeakPolarHBondContact CB-OD2 3.46Å; Q110-D112 PolarHBondContact O-N 3.25Å; Q110-D112 PolarHBondContact OE1-OD2 3.21Å |
| 111 | K | 49.6 | Very low | 66 | Low | 198 Ų | 198 | 78.4 Ų | 78.4 | 86% | 0.861 | 49% | 0.494 | S | S | * | . | trans | -76.3 | 40 | 163.3 | -69.4 | -172.3 | 174.1 | -176.2 | 0 | 112 | ||||
| 112 | D | 61.5 | Low | 68.1 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.219 | 46% | 0.463 | C | S | . | . | trans | -101.9 | 15 | -168.9 | -74.8 | -42.1 | 0 | 0 | 0 | 113.6 | Q110 R281 R285 | Q110-D112 HydrophobicContact CB-CB 3.86Å; Q110-D112 WeakPolarHBondContact CB-OD2 3.46Å; Q110-D112 PolarHBondContact O-N 3.25Å; Q110-D112 PolarHBondContact OE1-OD2 3.21Å; D112-R281 IonicContact OD1-CZ 3.46Å; D112-R281 IonicContact OD1-NH1 3.77Å; D112-R281 PolarHBondContact OD1-NH1 3.36Å; D112-R285 IonicContact OD2-NH1 3.25Å; D112-R285 PolarHBondContact OD2-NH1 3.01Å | ||
| 113 | G | 76.9 | Confident | 70.7 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -94.4 | -17 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | T164 | G113-T164 WeakPolarHBondContact O-CB 3.47Å; G113-T164 PolarHBondContact O-N 3.45Å |
| 114 | I | 92 | Very high | 72.9 | Confident | 95 Ų | 95 | 69 Ų | 69 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.2 | -176.5 | -50.8 | 179.3 | 0 | 0 | 0 | 110.4 | T164 V166 | I114-T164 CarbonylContact C-O 3.25Å; I114-T164 WeakPolarHBondContact CA-O 3.3Å; I114-T164 HydrophobicContact CG1-CG2 4.4Å; I114-T164 HydrophobicContact CG2-CG2 4.22Å; I114-V166 HydrophobicContact CG2-CG2 3.92Å |
| 115 | F | 94.3 | Very high | 75.6 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.7 | 177.5 | -66.3 | -59.1 | 0 | 0 | 0 | 112 | V163 T164 L165 V166 D189 V274 I277 R278 R281 | F115-V163 HydrophobicContact CD2-CB 4.12Å; F115-V163 HydrophobicContact CD2-CG1 4.3Å; F115-V163 HydrophobicContact CD2-CG2 4.48Å; F115-V163 HydrophobicContact CE2-CB 4.16Å; F115-V163 HydrophobicContact CE2-CG1 3.83Å; F115-T164 PolarHBondContact N-O 3.09Å; F115-L165 HydrophobicContact CB-CD2 3.93Å; F115-L165 WeakPolarHBondContact O-CA 3.48Å; F115-V166 PolarHBondContact O-N 3.45Å; F115-D189 WeakPolarHBondContact CA-OD2 3.24Å; F115-V274 HydrophobicContact CD2-CG1 4.17Å; F115-V274 HydrophobicContact CD2-CG2 4.13Å; F115-V274 HydrophobicContact CE2-CG1 3.95Å; F115-I277 HydrophobicContact CB-CD1 3.91Å; F115-I277 HydrophobicContact CD1-CB 4.31Å; F115-I277 HydrophobicContact CD1-CD1 4.02Å; F115-I277 HydrophobicContact CD1-CG2 3.57Å; F115-I277 HydrophobicContact CE1-CB 4.32Å; F115-I277 HydrophobicContact CE1-CG2 3.46Å; F115-I277 VanDerWaalsContact CE1-CG2 3.46Å; F115-I277 HydrophobicContact CG-CD1 4.02Å; F115-I277 HydrophobicContact CZ-CG2 4.37Å; F115-R278 HydrophobicContact CZ-CG 4.33Å; F115-R281 VanDerWaalsContact CE1-CZ 3.48Å |
| 116 | K | 93.6 | Very high | 77.9 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.6 | 179.1 | -64.2 | -170.4 | 174.7 | -164.4 | 0 | 111.5 | V166 Y168 D189 A190 | K116-V166 WeakPolarHBondContact CA-O 3.31Å; K116-Y168 HydrophobicContact CB-CE2 3.93Å; K116-Y168 HydrophobicContact CD-CE2 3.98Å; K116-Y168 WeakPolarHBondContact CE-OH 3.4Å; K116-Y168 HydrophobicContact CG-CE2 3.92Å; K116-Y168 PolarHBondContact NZ-OH 3.41Å; K116-D189 PolarHBondContact N-OD2 3.2Å; K116-D189 WeakPolarHBondContact O-CA 3.33Å; K116-D189 WeakPolarHBondContact O-CB 3.47Å; K116-D189 PolarHBondContact O-N 2.94Å; K116-A190 PolarHBondContact O-N 2.92Å; K116-A190 VanDerWaalsContact O-N 3.16Å |
| 117 | V | 95.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.5 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | L165 V166 V167 Y168 A190 L192 A273 | V117-L165 HydrophobicContact CB-CD2 4.43Å; V117-L165 HydrophobicContact CG2-CD2 3.36Å; V117-V166 PolarHBondContact N-O 2.85Å; V117-V167 HydrophobicContact CB-CG2 4.28Å; V117-V167 WeakPolarHBondContact O-CA 3.37Å; V117-Y168 PolarHBondContact O-N 3.38Å; V117-A190 HydrophobicContact CG2-CB 4.33Å; V117-L192 HydrophobicContact CG1-CD1 3.64Å; V117-L192 HydrophobicContact CG1-CD2 4.35Å; V117-L192 HydrophobicContact CG1-CG 3.63Å; V117-A273 HydrophobicContact CG2-CB 4.02Å |
| 118 | M | 94.1 | Very high | 82.7 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.2 | -179.5 | -59.2 | -53.8 | -46.1 | 0 | 0 | 111 | V120 Y168 I170 C184 A190 F191 L192 | M118-V120 HydrophobicContact CB-CG2 4.32Å; M118-Y168 HydrophobicContact CE-CG 4.13Å; M118-Y168 HydrophobicContact SD-CD2 3.67Å; M118-Y168 HydrophobicContact SD-CG 3.88Å; M118-I170 HydrophobicContact CE-CD1 4.22Å; M118-I170 HydrophobicContact CE-CG1 4.01Å; M118-C184 HydrophobicContact CE-CB 3.46Å; M118-C184 VanDerWaalsContact CE-CB 3.46Å; M118-C184 HydrophobicContact SD-CB 3.76Å; M118-A190 PolarHBondContact N-O 3.27Å; M118-F191 HydrophobicContact CB-CD1 3.56Å; M118-F191 HydrophobicContact CB-CE1 3.88Å; M118-F191 HydrophobicContact CB-CG 4.42Å; M118-F191 HydrophobicContact CG-CD1 3.96Å; M118-F191 HydrophobicContact CG-CE1 3.74Å; M118-F191 WeakPolarHBondContact O-CA 3.18Å; M118-L192 PolarHBondContact O-N 2.72Å |
| 119 | L | 94.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.1 | 166.8 | -57.1 | -168.2 | 0 | 0 | 0 | 110.1 | K127 A131 V167 Y168 D169 W171 L192 | L119-K127 HydrophobicContact CB-CB 4.18Å; L119-K127 HydrophobicContact CB-CD 4.45Å; L119-K127 HydrophobicContact CB-CG 4.48Å; L119-K127 HydrophobicContact CD1-CB 4.06Å; L119-K127 VanDerWaalsContact CD1-O 3.22Å; L119-K127 WeakPolarHBondContact CD1-O 3.26Å; L119-A131 HydrophobicContact CD1-CB 3.78Å; L119-V167 HydrophobicContact CD1-CG1 4.03Å; L119-V167 HydrophobicContact CD2-CG1 4.04Å; L119-V167 HydrophobicContact CG-CG1 3.8Å; L119-Y168 PolarHBondContact N-O 3.23Å; L119-D169 HydrophobicContact CD1-CB 4.49Å; L119-W171 VanDerWaalsContact O-CB 3.3Å; L119-W171 WeakPolarHBondContact O-CB 3.23Å; L119-L192 HydrophobicContact CD2-CB 3.88Å; L119-L192 HydrophobicContact CD2-CD1 3.72Å; L119-L192 HydrophobicContact CD2-CG 4.17Å |
| 120 | V | 93.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.6 | -169.6 | 168.1 | 0 | 0 | 0 | 0 | 109 | M118 W171 F191 L192 I193 V194 T209 L213 | M118-V120 HydrophobicContact CB-CG2 4.32Å; V120-W171 HydrophobicContact CB-CD2 4.19Å; V120-W171 HydrophobicContact CB-CE3 4.32Å; V120-W171 HydrophobicContact CG1-CD2 3.94Å; V120-W171 HydrophobicContact CG1-CE3 4.15Å; V120-W171 HydrophobicContact CG1-CH2 3.84Å; V120-W171 HydrophobicContact CG1-CZ2 3.68Å; V120-W171 HydrophobicContact CG1-CZ3 4.09Å; V120-W171 HydrophobicContact CG2-CD2 4.04Å; V120-W171 HydrophobicContact CG2-CE3 3.69Å; V120-W171 HydrophobicContact CG2-CZ3 3.94Å; V120-F191 HydrophobicContact CG2-CD1 4.06Å; V120-L192 PolarHBondContact N-O 2.86Å; V120-I193 HydrophobicContact CB-CG1 4.49Å; V120-I193 HydrophobicContact CG1-CG1 4.18Å; V120-I193 CarbonylContact O-C 3.53Å; V120-I193 VanDerWaalsContact O-CA 3.3Å; V120-I193 WeakPolarHBondContact O-CA 3.43Å; V120-V194 PolarHBondContact O-N 2.88Å; V120-T209 HydrophobicContact CG1-CG2 3.25Å; V120-L213 HydrophobicContact CG1-CD1 4.43Å; V120-L213 HydrophobicContact CG1-CD2 4.3Å; V120-L213 HydrophobicContact CG2-CD2 4.31Å |
| 121 | G | 93.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | 149 | 171.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K127 W171 E172 | G121-K127 PolarHBondContact O-NZ 3.43Å; G121-W171 VanDerWaalsContact N-CD1 3.32Å; G121-W171 PolarHBondContact O-NE1 3.05Å; G121-E172 VanDerWaalsContact O-OE1 3.04Å | ||
| 122 | E | 92.9 | Very high | 91.5 | Very high | 66 Ų | 66 | 29.4 Ų | 29.4 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -66.1 | 169.7 | -177.7 | -65.4 | -66.3 | 131.7 | 0 | 0 | 113.7 | V125 K127 K205 | E122-V125 HydrophobicContact CB-CG1 4.26Å; E122-V125 VanDerWaalsContact O-CG1 3.26Å; E122-V125 WeakPolarHBondContact O-CG1 3.38Å; E122-V125 WeakPolarHBondContact O-CG2 3.49Å; E122-K127 PolarHBondContact O-NZ 3Å; E122-K205 HydrophobicContact CG-CB 3.62Å; E122-K205 HydrophobicContact CG-CG 3.81Å |
| 123 | S | 91.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 28.4 Ų | 28.4 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 148.5 | -167.8 | -153.6 | 0 | 0 | 0 | 0 | 113.4 | V125 E172 | S123-V125 PolarHBondContact O-N 2.86Å; S123-E172 WeakPolarHBondContact CA-OE1 3.41Å; S123-E172 VanDerWaalsContact CA-OE2 3.25Å; S123-E172 WeakPolarHBondContact CA-OE2 3.47Å; S123-E172 VanDerWaalsContact CB-OE1 3.26Å; S123-E172 WeakPolarHBondContact CB-OE1 3.35Å; S123-E172 VanDerWaalsContact CB-OE2 3.26Å; S123-E172 WeakPolarHBondContact CB-OE2 3.19Å; S123-E172 PolarHBondContact N-OE1 2.55Å; S123-E172 PolarHBondContact OG-OE2 3.26Å |
| 124 | G | 93.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 54% | 0.536 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G126 K230 | G124-G126 PolarHBondContact O-N 3.15Å; G124-K230 WeakPolarHBondContact O-CE 3.43Å; G124-K230 PolarHBondContact O-NZ 3.07Å |
| 125 | V | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -68.6 | -12.7 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 113.6 | E122 S123 K127 V194 S202 N229 | E122-V125 HydrophobicContact CB-CG1 4.26Å; E122-V125 VanDerWaalsContact O-CG1 3.26Å; E122-V125 WeakPolarHBondContact O-CG1 3.38Å; E122-V125 WeakPolarHBondContact O-CG2 3.49Å; S123-V125 PolarHBondContact O-N 2.86Å; V125-K127 HydrophobicContact CG2-CD 4.36Å; V125-K127 HydrophobicContact CG2-CG 3.66Å; V125-V194 HydrophobicContact CB-CG1 4.33Å; V125-V194 HydrophobicContact CG2-CB 3.97Å; V125-V194 HydrophobicContact CG2-CG1 3.81Å; V125-S202 VanDerWaalsContact CG1-CB 3.48Å; V125-N229 PolarHBondContact O-ND2 3.3Å |
| 126 | G | 95.7 | Very high | 92.4 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 94.8 | 32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G124 T129 L130 | G124-G126 PolarHBondContact O-N 3.15Å; G126-T129 PolarHBondContact O-N 3.23Å; G126-L130 WeakPolarHBondContact O-CB 3.08Å; G126-L130 PolarHBondContact O-N 3.3Å |
| 127 | K | 95.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 175.2 | -56.7 | 179.5 | -68.6 | -79 | 0 | 111.3 | L119 G121 E122 V125 T129 L130 A131 D169 E172 V194 | L119-K127 HydrophobicContact CB-CB 4.18Å; L119-K127 HydrophobicContact CB-CD 4.45Å; L119-K127 HydrophobicContact CB-CG 4.48Å; L119-K127 HydrophobicContact CD1-CB 4.06Å; L119-K127 VanDerWaalsContact CD1-O 3.22Å; L119-K127 WeakPolarHBondContact CD1-O 3.26Å; G121-K127 PolarHBondContact O-NZ 3.43Å; E122-K127 PolarHBondContact O-NZ 3Å; V125-K127 HydrophobicContact CG2-CD 4.36Å; V125-K127 HydrophobicContact CG2-CG 3.66Å; K127-T129 VanDerWaalsContact C-N 3.32Å; K127-T129 PolarHBondContact O-N 3.29Å; K127-L130 CarbonylContact O-C 3.59Å; K127-L130 WeakPolarHBondContact O-CA 3.39Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 3.45Å; K127-A131 PolarHBondContact O-N 3.18Å; K127-D169 WeakPolarHBondContact CB-OD1 3.21Å; K127-E172 IonicContact NZ-OE1 2.84Å; K127-E172 PolarHBondContact NZ-OE1 3.42Å; K127-E172 IonicContact NZ-OE2 2.87Å; K127-E172 PolarHBondContact NZ-OE2 3.36Å; K127-V194 HydrophobicContact CG-CB 4.17Å; K127-V194 HydrophobicContact CG-CG2 4.26Å |
| 128 | S | 92.9 | Very high | 88.8 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 176.7 | -33.6 | 0 | 0 | 0 | 0 | 113.3 | A131 G132 D169 | S128-A131 PolarHBondContact O-N 3.24Å; S128-G132 PolarHBondContact O-N 3.11Å; S128-D169 WeakPolarHBondContact CA-OD2 3.23Å; S128-D169 WeakPolarHBondContact CB-OD2 3.19Å; S128-D169 PolarHBondContact N-OD1 3.46Å; S128-D169 PolarHBondContact N-OD2 2.85Å; S128-D169 VanDerWaalsContact N-OD2 3.16Å; S128-D169 PolarHBondContact OG-OD2 3Å |
| 129 | T | 93.9 | Very high | 86.3 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.3 | -42.1 | 0 | 0 | 0 | 0 | 110.8 | G126 K127 G132 T133 A260 | G126-T129 PolarHBondContact O-N 3.23Å; K127-T129 VanDerWaalsContact C-N 3.32Å; K127-T129 PolarHBondContact O-N 3.29Å; T129-G132 PolarHBondContact O-N 3.18Å; T129-T133 VanDerWaalsContact O-CB 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.33Å; T129-A260 HydrophobicContact CG2-CB 3.79Å |
| 130 | L | 95.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.6 | -171.9 | 67 | 0 | 0 | 0 | 112.3 | G126 K127 F134 V194 V227 A260 T266 L269 F270 | G126-L130 WeakPolarHBondContact O-CB 3.08Å; G126-L130 PolarHBondContact O-N 3.3Å; K127-L130 CarbonylContact O-C 3.59Å; K127-L130 WeakPolarHBondContact O-CA 3.39Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 3.45Å; L130-F134 PolarHBondContact O-N 3.39Å; L130-V194 HydrophobicContact CD2-CG2 4.21Å; L130-V227 HydrophobicContact CD2-CG1 4.37Å; L130-A260 HydrophobicContact CB-CB 4.17Å; L130-A260 HydrophobicContact CD1-CB 4.13Å; L130-T266 HydrophobicContact CD1-CG2 3.78Å; L130-L269 HydrophobicContact CD1-CD2 4.19Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; L130-L269 HydrophobicContact CG-CD2 4.36Å; L130-F270 HydrophobicContact CD1-CE2 4.44Å; L130-F270 HydrophobicContact CG-CE2 4.37Å; L130-F270 HydrophobicContact CG-CZ 4.15Å |
| 131 | A | 93.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L119 K127 S128 F134 G135 Y152 V167 D169 | L119-A131 HydrophobicContact CD1-CB 3.78Å; K127-A131 PolarHBondContact O-N 3.18Å; S128-A131 PolarHBondContact O-N 3.24Å; A131-F134 CarbonylContact O-C 3.59Å; A131-F134 WeakPolarHBondContact O-CA 3.38Å; A131-F134 WeakPolarHBondContact O-CB 3.45Å; A131-F134 PolarHBondContact O-N 3.46Å; A131-F134 VanDerWaalsContact O-N 3.1Å; A131-G135 PolarHBondContact O-N 2.96Å; A131-Y152 HydrophobicContact CB-CD1 4.48Å; A131-Y152 HydrophobicContact CB-CD2 3.57Å; A131-Y152 HydrophobicContact CB-CE1 4.5Å; A131-Y152 HydrophobicContact CB-CE2 3.63Å; A131-Y152 HydrophobicContact CB-CG 4.05Å; A131-Y152 WeakPolarHBondContact O-CD1 3.38Å; A131-V167 HydrophobicContact CB-CG1 4.29Å; A131-D169 HydrophobicContact CB-CB 4.17Å |
| 132 | G | 90.4 | Very high | 78.8 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S128 T129 F134 G135 G136 L137 | S128-G132 PolarHBondContact O-N 3.11Å; T129-G132 PolarHBondContact O-N 3.18Å; G132-F134 VanDerWaalsContact C-N 3.28Å; G132-F134 PolarHBondContact O-N 3.06Å; G132-G135 PolarHBondContact O-N 3.38Å; G132-G136 PolarHBondContact O-N 3.28Å; G132-L137 PolarHBondContact O-N 3.38Å; G132-L137 VanDerWaalsContact O-N 3.07Å |
| 133 | T | 90 | Very high | 76.3 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.6 | -41 | 170.2 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | T129 A260 H263 T266 | T129-T133 VanDerWaalsContact O-CB 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.33Å; T133-A260 PolarHBondContact OG1-O 3.29Å; T133-H263 WeakPolarHBondContact CG2-ND1 3.49Å; T133-T266 HydrophobicContact CG2-CG2 3.99Å |
| 134 | F | 90.1 | Very high | 74.1 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 175.1 | 175.1 | -102.2 | 0 | 0 | 0 | 112.5 | L130 A131 G132 G136 R154 I156 L165 V167 F270 | L130-F134 PolarHBondContact O-N 3.39Å; A131-F134 CarbonylContact O-C 3.59Å; A131-F134 WeakPolarHBondContact O-CA 3.38Å; A131-F134 WeakPolarHBondContact O-CB 3.45Å; A131-F134 PolarHBondContact O-N 3.46Å; A131-F134 VanDerWaalsContact O-N 3.1Å; G132-F134 VanDerWaalsContact C-N 3.28Å; G132-F134 PolarHBondContact O-N 3.06Å; F134-G136 PolarHBondContact O-N 3.43Å; F134-G136 VanDerWaalsContact O-N 3.14Å; F134-R154 HydrophobicContact CD1-CB 4.44Å; F134-R154 HydrophobicContact CE1-CB 3.64Å; F134-R154 HydrophobicContact CE2-CB 4.33Å; F134-R154 HydrophobicContact CZ-CB 3.57Å; F134-R154 WeakPolarHBondContact O-CD 3.29Å; F134-R154 PolarHBondContact O-NH1 3.36Å; F134-I156 HydrophobicContact CE2-CG2 4.15Å; F134-L165 HydrophobicContact CE1-CB 4.2Å; F134-L165 HydrophobicContact CE2-CB 4.39Å; F134-L165 HydrophobicContact CE2-CD1 4.07Å; F134-L165 HydrophobicContact CZ-CB 3.53Å; F134-L165 HydrophobicContact CZ-CD1 4.01Å; F134-L165 HydrophobicContact CZ-CG 4.46Å; F134-V167 HydrophobicContact CD1-CB 4.05Å; F134-V167 HydrophobicContact CD1-CG2 3.47Å; F134-V167 VanDerWaalsContact CD1-CG2 3.47Å; F134-V167 HydrophobicContact CE1-CB 4.32Å; F134-V167 HydrophobicContact CE1-CG2 3.52Å; F134-V167 HydrophobicContact CG-CG2 4.11Å; F134-V167 HydrophobicContact CZ-CG2 4.19Å; F134-F270 HydrophobicContact CB-CD2 4.05Å; F134-F270 HydrophobicContact CB-CE1 4.41Å; F134-F270 HydrophobicContact CB-CE2 3.54Å; F134-F270 HydrophobicContact CB-CZ 3.73Å; F134-F270 HydrophobicContact CD2-CB 4.03Å; F134-F270 AromaticContact CD2-CD1 3.97Å; F134-F270 HydrophobicContact CD2-CD1 3.97Å; F134-F270 AromaticContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CE1 4.3Å; F134-F270 AromaticContact CD2-CE2 3.78Å; F134-F270 HydrophobicContact CD2-CE2 3.78Å; F134-F270 AromaticContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CG 3.49Å; F134-F270 VanDerWaalsContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CZ 4.22Å; F134-F270 HydrophobicContact CE2-CB 3.94Å; F134-F270 HydrophobicContact CE2-CD1 4.24Å; F134-F270 HydrophobicContact CE2-CD2 4.15Å; F134-F270 AromaticContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CG-CD1 4.35Å; F134-F270 AromaticContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CE1 4.24Å; F134-F270 AromaticContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CG 4.24Å; F134-F270 HydrophobicContact CG-CZ 4.03Å |
| 135 | G | 84.9 | Confident | 71.8 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -12.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A131 G132 | A131-G135 PolarHBondContact O-N 2.96Å; G132-G135 PolarHBondContact O-N 3.38Å |
| 136 | G | 77.7 | Confident | 69.5 | Low | 24 Ų | 24 | 75.9 Ų | 75.9 | 25% | 0.247 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G132 F134 Q138 | G132-G136 PolarHBondContact O-N 3.28Å; F134-G136 PolarHBondContact O-N 3.43Å; F134-G136 VanDerWaalsContact O-N 3.14Å; G136-Q138 PolarHBondContact O-N 3.31Å |
| 137 | L | 61.3 | Low | 67.3 | Low | 113 Ų | 113 | 78.5 Ų | 78.5 | 59% | 0.592 | 46% | 0.459 | S | S | * | . | trans | -68.3 | 24.9 | -179.7 | -70.5 | -179 | 0 | 0 | 0 | 115.2 | G132 Y152 | G132-L137 PolarHBondContact O-N 3.38Å; G132-L137 VanDerWaalsContact O-N 3.07Å; L137-Y152 HydrophobicContact CD1-CE1 3.79Å | ||
| 138 | Q | 53.4 | Low | 65.5 | Low | 153 Ų | 153 | 82.4 Ų | 82.4 | 72% | 0.715 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -146.4 | 96.3 | 172 | -102.9 | 160.9 | 18.7 | 0 | 0 | 109.7 | G136 | G136-Q138 PolarHBondContact O-N 3.31Š|
| 139 | G | 42.1 | Very low | 64.4 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 140.3 | 82.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S141 | G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.15Å |
| 140 | D | 41.9 | Very low | 63.8 | Low | 179 Ų | 179 | 85.7 Ų | 85.7 | 96% | 0.957 | 49% | 0.489 | S | S | * | . | trans | 28.6 | 48.6 | 156.9 | -64 | -6.2 | 0 | 0 | 0 | 119.4 | ||||
| 141 | S | 39.8 | Very low | 63.4 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | trans | -113.6 | 106.1 | 161.9 | 65 | 0 | 0 | 0 | 0 | 110 | G139 H143 | G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.15Å; S141-H143 PolarHBondContact O-N 3.28Å | ||
| 142 | A | 40.5 | Very low | 63.3 | Low | 105 Ų | 105 | 88.6 Ų | 88.6 | 87% | 0.868 | 50% | 0.503 | S | S | * | . | trans | -75.2 | 47 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 143 | H | 41.8 | Very low | 63.3 | Low | 164 Ų | 164 | 92.9 Ų | 92.9 | 76% | 0.759 | 52% | 0.52 | S | S | * | . | trans | -123.8 | 93.5 | 168.5 | -71.1 | -63.5 | 0 | 0 | 0 | 107.7 | S141 P145 | S141-H143 PolarHBondContact O-N 3.28Å; H143-P145 WeakPolarHBondContact O-CD 3.21Å | ||
| 144 | E | 45.5 | Very low | 63.4 | Low | 189 Ų | 189 | 97.5 Ų | 97.5 | 88% | 0.883 | 54% | 0.535 | S | S | * | . | trans | -56.9 | 123.4 | 158 | -72.5 | -175.2 | 141.6 | 0 | 0 | 107.2 | ||||
| 145 | P | 44.8 | Very low | 63.5 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | trans | -68.4 | 140.9 | 173.4 | -11.9 | 26.4 | 0 | 0 | 0 | 109.1 | H143 N147 | H143-P145 WeakPolarHBondContact O-CD 3.21Å; P145-N147 HydrophobicContact CB-CB 4.01Å; P145-N147 WeakPolarHBondContact CB-ND2 3.38Å; P145-N147 PolarHBondContact O-N 3.33Å | ||
| 146 | E | 47.7 | Very low | 63.9 | Low | 205 Ų | 205 | 104.5 Ų | 104.5 | 96% | 0.958 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -69.8 | 26.7 | 168.3 | -58.3 | 178 | 146.9 | 0 | 0 | 112.3 | ||
| 147 | N | 50.7 | Low | 64.6 | Low | 68 Ų | 68 | 109.1 Ų | 109.1 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -87.2 | 146.8 | -176.3 | -69.2 | -22.6 | 0 | 0 | 0 | 110.5 | P145 T151 | P145-N147 HydrophobicContact CB-CB 4.01Å; P145-N147 WeakPolarHBondContact CB-ND2 3.38Å; P145-N147 PolarHBondContact O-N 3.33Å; N147-T151 WeakPolarHBondContact CB-O 3.12Å |
| 148 | P | 57.9 | Low | 66.1 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | trans | -59.2 | 143.1 | 169.7 | 26.2 | -33.1 | 0 | 0 | 0 | 110.1 | D150 T151 | P148-D150 PolarHBondContact O-N 2.69Å; P148-T151 PolarHBondContact O-N 3.11Å | ||
| 149 | E | 68.9 | Low | 68 | Low | 175 Ų | 175 | 100.7 Ų | 100.7 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.7 | -164.9 | -60 | -177.1 | 164.4 | 0 | 0 | 115.5 | Y152 | E149-Y152 PolarHBondContact O-OH 3.43Å; E149-Y152 VanDerWaalsContact O-OH 3.06Å |
| 150 | D | 80.8 | Confident | 70.4 | Confident | 39 Ų | 39 | 107 Ų | 107 | 21% | 0.209 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 11.7 | -177.5 | -49.1 | -68.7 | 0 | 0 | 0 | 114.7 | P148 D169 I170 Q173 | P148-D150 PolarHBondContact O-N 2.69Å; D150-D169 PolarHBondContact O-N 2.84Å; D150-I170 HydrophobicContact CB-CG2 3.48Å; D150-I170 VanDerWaalsContact CB-CG2 3.48Å; D150-Q173 PolarHBondContact OD2-NE2 3.45Å |
| 151 | T | 88.2 | Confident | 72.7 | Confident | 24 Ų | 24 | 104 Ų | 104 | 15% | 0.147 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | N147 P148 V166 V167 Y168 | N147-T151 WeakPolarHBondContact CB-O 3.12Å; P148-T151 PolarHBondContact O-N 3.11Å; T151-V166 HydrophobicContact CG2-CG1 3.5Å; T151-V166 VanDerWaalsContact CG2-CG1 3.5Å; T151-V167 WeakPolarHBondContact CA-O 3.25Å; T151-Y168 HydrophobicContact CG2-CD1 3.91Å; T151-Y168 HydrophobicContact CG2-CE1 3.74Å; T151-Y168 WeakPolarHBondContact OG1-CD1 3.37Å |
| 152 | Y | 90.6 | Very high | 75.3 | Confident | 37 Ų | 37 | 105 Ų | 105 | 15% | 0.145 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 103.3 | -169.6 | -58.7 | -99.9 | 0 | 0 | 0 | 109.9 | A131 L137 E149 V167 D169 | A131-Y152 HydrophobicContact CB-CD1 4.48Å; A131-Y152 HydrophobicContact CB-CD2 3.57Å; A131-Y152 HydrophobicContact CB-CE1 4.5Å; A131-Y152 HydrophobicContact CB-CE2 3.63Å; A131-Y152 HydrophobicContact CB-CG 4.05Å; A131-Y152 WeakPolarHBondContact O-CD1 3.38Å; L137-Y152 HydrophobicContact CD1-CE1 3.79Å; E149-Y152 PolarHBondContact O-OH 3.43Å; E149-Y152 VanDerWaalsContact O-OH 3.06Å; Y152-V167 PolarHBondContact N-O 3.46Å; Y152-V167 PolarHBondContact O-N 2.68Å; Y152-D169 HydrophobicContact CE2-CB 4.35Å |
| 153 | E | 91.4 | Very high | 77.8 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.2 | 176.1 | -175.6 | 169.7 | 146.1 | 0 | 0 | 111.7 | T164 L165 V166 | E153-T164 VanDerWaalsContact CD-CG2 3.46Å; E153-T164 HydrophobicContact CG-CG2 3.5Å; E153-T164 WeakPolarHBondContact OE1-CG2 3.32Å; E153-L165 CarbonylContact C-O 3.53Å; E153-L165 WeakPolarHBondContact CA-O 3.48Å; E153-V166 HydrophobicContact CB-CG2 4.36Å; E153-V166 HydrophobicContact CG-CG2 4.06Å |
| 154 | R | 90.7 | Very high | 80.4 | Confident | 116 Ų | 116 | 93.2 Ų | 93.2 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139.4 | 171 | -163.7 | 169.7 | -174.7 | 171.1 | 7.7 | 112.3 | F134 I156 L165 | F134-R154 HydrophobicContact CD1-CB 4.44Å; F134-R154 HydrophobicContact CE1-CB 3.64Å; F134-R154 HydrophobicContact CE2-CB 4.33Å; F134-R154 HydrophobicContact CZ-CB 3.57Å; F134-R154 WeakPolarHBondContact O-CD 3.29Å; F134-R154 PolarHBondContact O-NH1 3.36Å; R154-I156 HydrophobicContact CG-CG2 4.34Å; R154-L165 PolarHBondContact N-O 2.86Å; R154-L165 PolarHBondContact O-N 3.32Å |
| 155 | R | 92.8 | Very high | 82.7 | Confident | 157 Ų | 157 | 84.2 Ų | 84.2 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.4 | 168 | -69.1 | 167.7 | 71.5 | 141.5 | 3.1 | 109.7 | E162 V163 T164 | R155-E162 IonicContact CZ-OE1 2.76Å; R155-E162 IonicContact CZ-OE2 3.52Å; R155-E162 IonicContact NE-OE1 3.16Å; R155-E162 PolarHBondContact NE-OE1 2.94Å; R155-E162 IonicContact NE-OE2 2.67Å; R155-E162 IonicContact NH2-OE1 3.19Å; R155-E162 PolarHBondContact NH2-OE1 2.95Å; R155-E162 VanDerWaalsContact NH2-OE1 3.14Å; R155-E162 IonicContact NH2-OE2 2.71Å; R155-E162 PolarHBondContact NH2-OE2 2.84Å; R155-V163 CarbonylContact C-O 3.56Å; R155-V163 WeakPolarHBondContact CA-O 3.21Å; R155-T164 WeakPolarHBondContact CG-OG1 3.28Å |
| 156 | I | 92.6 | Very high | 85 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.4 | 175.8 | 67.9 | 159.5 | 0 | 0 | 0 | 110.8 | F134 R154 V158 V163 L165 E271 | F134-I156 HydrophobicContact CE2-CG2 4.15Å; R154-I156 HydrophobicContact CG-CG2 4.34Å; I156-V158 HydrophobicContact CD1-CG2 3.49Å; I156-V158 VanDerWaalsContact CD1-CG2 3.49Å; I156-V158 HydrophobicContact CG1-CG2 3.84Å; I156-V163 HydrophobicContact CG1-CG2 3.86Å; I156-V163 PolarHBondContact N-O 2.83Å; I156-V163 PolarHBondContact O-N 3.03Å; I156-L165 HydrophobicContact CD1-CD1 3.44Å; I156-L165 VanDerWaalsContact CD1-CD1 3.44Å; I156-L165 HydrophobicContact CG1-CD1 3.9Å; I156-E271 HydrophobicContact CD1-CG 4.16Å |
| 157 | M | 92.9 | Very high | 87.2 | Confident | 121 Ų | 121 | 71.1 Ų | 71.1 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.5 | 177.1 | -173.7 | 179.8 | -68.8 | 0 | 0 | 110 | ||
| 158 | V | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.3 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | I156 K160 E161 V163 E271 V274 R275 R278 | I156-V158 HydrophobicContact CD1-CG2 3.49Å; I156-V158 VanDerWaalsContact CD1-CG2 3.49Å; I156-V158 HydrophobicContact CG1-CG2 3.84Å; V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.49Å; V158-E161 PolarHBondContact N-O 2.77Å; V158-E161 PolarHBondContact O-N 2.98Å; V158-E161 VanDerWaalsContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-O 3.1Å; V158-V163 HydrophobicContact CG2-CG2 3.96Å; V158-E271 HydrophobicContact CG1-CB 4.24Å; V158-E271 HydrophobicContact CG2-CB 4.24Å; V158-E271 HydrophobicContact CG2-CG 4.07Å; V158-V274 HydrophobicContact CB-CB 4.44Å; V158-V274 HydrophobicContact CB-CG1 3.97Å; V158-V274 HydrophobicContact CG1-CB 4.2Å; V158-V274 HydrophobicContact CG1-CG1 3.93Å; V158-V274 HydrophobicContact CG2-CB 4.06Å; V158-V274 HydrophobicContact CG2-CG1 4Å; V158-V274 HydrophobicContact CG2-CG2 4.21Å; V158-R275 HydrophobicContact CG1-CG 3.86Å; V158-R278 PolarHBondContact O-NH1 3.46Å |
| 159 | D | 92.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 35.8 | 179.3 | -50 | -32.8 | 0 | 0 | 0 | 114 | E161 R275 R278 | D159-E161 PolarHBondContact O-N 3.37Å; D159-R275 VanDerWaalsContact CG-NE 3.27Å; D159-R275 IonicContact OD1-CZ 3.45Å; D159-R275 VanDerWaalsContact OD1-CZ 3.24Å; D159-R275 IonicContact OD1-NE 3.55Å; D159-R275 PolarHBondContact OD1-NE 3Å; D159-R275 IonicContact OD1-NH2 3.36Å; D159-R275 PolarHBondContact OD1-NH2 3.22Å; D159-R275 WeakPolarHBondContact OD2-CD 3.47Å; D159-R275 IonicContact OD2-NE 3.24Å; D159-R275 PolarHBondContact OD2-NE 2.79Å; D159-R278 IonicContact OD2-NH1 3.66Å |
| 160 | K | 91.8 | Very high | 91.2 | Very high | 195 Ų | 195 | 58.4 Ų | 58.4 | 85% | 0.848 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 3.4 | -175.7 | -48.1 | 173 | -176.3 | 175.4 | 0 | 115.4 | V158 | V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.49Å |
| 161 | E | 92 | Very high | 91 | Very high | 115 Ų | 115 | 58.1 Ų | 58.1 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.4 | 170.7 | -72.7 | 175.1 | -166.2 | 0 | 0 | 109.8 | V158 D159 R278 | V158-E161 PolarHBondContact N-O 2.77Å; V158-E161 PolarHBondContact O-N 2.98Å; V158-E161 VanDerWaalsContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-O 3.1Å; D159-E161 PolarHBondContact O-N 3.37Å; E161-R278 IonicContact OE2-CZ 2.77Å; E161-R278 IonicContact OE2-NE 3.82Å; E161-R278 PolarHBondContact OE2-NE 3.18Å; E161-R278 IonicContact OE2-NH1 2.83Å; E161-R278 IonicContact OE2-NH2 2.84Å; E161-R278 PolarHBondContact OE2-NH2 3.02Å |
| 162 | E | 92.9 | Very high | 89.9 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.3 | 173.8 | -168.8 | -177 | -163.5 | 0 | 0 | 110.7 | R155 | R155-E162 IonicContact CZ-OE1 2.76Å; R155-E162 IonicContact CZ-OE2 3.52Å; R155-E162 IonicContact NE-OE1 3.16Å; R155-E162 PolarHBondContact NE-OE1 2.94Å; R155-E162 IonicContact NE-OE2 2.67Å; R155-E162 IonicContact NH2-OE1 3.19Å; R155-E162 PolarHBondContact NH2-OE1 2.95Å; R155-E162 VanDerWaalsContact NH2-OE1 3.14Å; R155-E162 IonicContact NH2-OE2 2.71Å; R155-E162 PolarHBondContact NH2-OE2 2.84Å |
| 163 | V | 94.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.2 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | F115 R155 I156 V158 V274 | F115-V163 HydrophobicContact CD2-CB 4.12Å; F115-V163 HydrophobicContact CD2-CG1 4.3Å; F115-V163 HydrophobicContact CD2-CG2 4.48Å; F115-V163 HydrophobicContact CE2-CB 4.16Å; F115-V163 HydrophobicContact CE2-CG1 3.83Å; R155-V163 CarbonylContact C-O 3.56Å; R155-V163 WeakPolarHBondContact CA-O 3.21Å; I156-V163 HydrophobicContact CG1-CG2 3.86Å; I156-V163 PolarHBondContact N-O 2.83Å; I156-V163 PolarHBondContact O-N 3.03Å; V158-V163 HydrophobicContact CG2-CG2 3.96Å; V163-V274 HydrophobicContact CG1-CG1 4.42Å; V163-V274 HydrophobicContact CG2-CG1 4.09Å; V163-V274 HydrophobicContact CG2-CG2 3.94Å |
| 164 | T | 94.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.8 | 165.1 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | G113 I114 F115 E153 R155 V166 | G113-T164 WeakPolarHBondContact O-CB 3.47Å; G113-T164 PolarHBondContact O-N 3.45Å; I114-T164 CarbonylContact C-O 3.25Å; I114-T164 WeakPolarHBondContact CA-O 3.3Å; I114-T164 HydrophobicContact CG1-CG2 4.4Å; I114-T164 HydrophobicContact CG2-CG2 4.22Å; F115-T164 PolarHBondContact N-O 3.09Å; E153-T164 VanDerWaalsContact CD-CG2 3.46Å; E153-T164 HydrophobicContact CG-CG2 3.5Å; E153-T164 WeakPolarHBondContact OE1-CG2 3.32Å; R155-T164 WeakPolarHBondContact CG-OG1 3.28Å; T164-V166 HydrophobicContact CG2-CG2 4.28Å |
| 165 | L | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.5 | 171.5 | -96.2 | 171.3 | 0 | 0 | 0 | 109 | F115 V117 F134 E153 R154 I156 F270 V274 | F115-L165 HydrophobicContact CB-CD2 3.93Å; F115-L165 WeakPolarHBondContact O-CA 3.48Å; V117-L165 HydrophobicContact CB-CD2 4.43Å; V117-L165 HydrophobicContact CG2-CD2 3.36Å; F134-L165 HydrophobicContact CE1-CB 4.2Å; F134-L165 HydrophobicContact CE2-CB 4.39Å; F134-L165 HydrophobicContact CE2-CD1 4.07Å; F134-L165 HydrophobicContact CZ-CB 3.53Å; F134-L165 HydrophobicContact CZ-CD1 4.01Å; F134-L165 HydrophobicContact CZ-CG 4.46Å; E153-L165 CarbonylContact C-O 3.53Å; E153-L165 WeakPolarHBondContact CA-O 3.48Å; R154-L165 PolarHBondContact N-O 2.86Å; R154-L165 PolarHBondContact O-N 3.32Å; I156-L165 HydrophobicContact CD1-CD1 3.44Å; I156-L165 VanDerWaalsContact CD1-CD1 3.44Å; I156-L165 HydrophobicContact CG1-CD1 3.9Å; L165-F270 HydrophobicContact CD1-CB 4Å; L165-V274 HydrophobicContact CD1-CG2 3.68Å; L165-V274 HydrophobicContact CD2-CG2 3.9Å; L165-V274 HydrophobicContact CG-CG2 3.78Å |
| 166 | V | 93.6 | Very high | 82.1 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 108 | I114 F115 K116 V117 T151 E153 T164 Y168 | I114-V166 HydrophobicContact CG2-CG2 3.92Å; F115-V166 PolarHBondContact O-N 3.45Å; K116-V166 WeakPolarHBondContact CA-O 3.31Å; V117-V166 PolarHBondContact N-O 2.85Å; T151-V166 HydrophobicContact CG2-CG1 3.5Å; T151-V166 VanDerWaalsContact CG2-CG1 3.5Å; E153-V166 HydrophobicContact CB-CG2 4.36Å; E153-V166 HydrophobicContact CG-CG2 4.06Å; T164-V166 HydrophobicContact CG2-CG2 4.28Å; V166-Y168 HydrophobicContact CB-CE2 4.13Å; V166-Y168 HydrophobicContact CG1-CD2 4.26Å; V166-Y168 HydrophobicContact CG1-CE1 4.26Å; V166-Y168 HydrophobicContact CG1-CE2 3.6Å |
| 167 | V | 93.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.9 | -179 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | V117 L119 A131 F134 T151 Y152 F270 | V117-V167 HydrophobicContact CB-CG2 4.28Å; V117-V167 WeakPolarHBondContact O-CA 3.37Å; L119-V167 HydrophobicContact CD1-CG1 4.03Å; L119-V167 HydrophobicContact CD2-CG1 4.04Å; L119-V167 HydrophobicContact CG-CG1 3.8Å; A131-V167 HydrophobicContact CB-CG1 4.29Å; F134-V167 HydrophobicContact CD1-CB 4.05Å; F134-V167 HydrophobicContact CD1-CG2 3.47Å; F134-V167 VanDerWaalsContact CD1-CG2 3.47Å; F134-V167 HydrophobicContact CE1-CB 4.32Å; F134-V167 HydrophobicContact CE1-CG2 3.52Å; F134-V167 HydrophobicContact CG-CG2 4.11Å; F134-V167 HydrophobicContact CZ-CG2 4.19Å; T151-V167 WeakPolarHBondContact CA-O 3.25Å; Y152-V167 PolarHBondContact N-O 3.46Å; Y152-V167 PolarHBondContact O-N 2.68Å; V167-F270 HydrophobicContact CG1-CE1 4.19Å; V167-F270 HydrophobicContact CG2-CD1 3.97Å; V167-F270 HydrophobicContact CG2-CE1 3.59Å; V167-F270 HydrophobicContact CG2-CZ 4.44Å |
| 168 | Y | 91.8 | Very high | 78.4 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.7 | -177.9 | -64.6 | -90.2 | 0 | 0 | 0 | 111.2 | K116 V117 M118 L119 T151 V166 | K116-Y168 HydrophobicContact CB-CE2 3.93Å; K116-Y168 HydrophobicContact CD-CE2 3.98Å; K116-Y168 WeakPolarHBondContact CE-OH 3.4Å; K116-Y168 HydrophobicContact CG-CE2 3.92Å; K116-Y168 PolarHBondContact NZ-OH 3.41Å; V117-Y168 PolarHBondContact O-N 3.38Å; M118-Y168 HydrophobicContact CE-CG 4.13Å; M118-Y168 HydrophobicContact SD-CD2 3.67Å; M118-Y168 HydrophobicContact SD-CG 3.88Å; L119-Y168 PolarHBondContact N-O 3.23Å; T151-Y168 HydrophobicContact CG2-CD1 3.91Å; T151-Y168 HydrophobicContact CG2-CE1 3.74Å; T151-Y168 WeakPolarHBondContact OG1-CD1 3.37Å; V166-Y168 HydrophobicContact CB-CE2 4.13Å; V166-Y168 HydrophobicContact CG1-CD2 4.26Å; V166-Y168 HydrophobicContact CG1-CE1 4.26Å; V166-Y168 HydrophobicContact CG1-CE2 3.6Å |
| 169 | D | 90.1 | Very high | 76.8 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.059 | 36% | 0.36 | C | S | . | . | trans | -111.3 | 34.6 | -178.6 | -168.9 | 44 | 0 | 0 | 0 | 114.1 | L119 K127 S128 A131 D150 Y152 W171 | L119-D169 HydrophobicContact CD1-CB 4.49Å; K127-D169 WeakPolarHBondContact CB-OD1 3.21Å; S128-D169 WeakPolarHBondContact CA-OD2 3.23Å; S128-D169 WeakPolarHBondContact CB-OD2 3.19Å; S128-D169 PolarHBondContact N-OD1 3.46Å; S128-D169 PolarHBondContact N-OD2 2.85Å; S128-D169 VanDerWaalsContact N-OD2 3.16Å; S128-D169 PolarHBondContact OG-OD2 3Å; A131-D169 HydrophobicContact CB-CB 4.17Å; D150-D169 PolarHBondContact O-N 2.84Å; Y152-D169 HydrophobicContact CE2-CB 4.35Å; D169-W171 PolarHBondContact O-N 3.16Å | ||
| 170 | I | 79.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | trans | -92.8 | 9.1 | -171.5 | 61 | 177.1 | 0 | 0 | 0 | 114.9 | M118 D150 E172 L180 C184 | M118-I170 HydrophobicContact CE-CD1 4.22Å; M118-I170 HydrophobicContact CE-CG1 4.01Å; D150-I170 HydrophobicContact CB-CG2 3.48Å; D150-I170 VanDerWaalsContact CB-CG2 3.48Å; I170-E172 PolarHBondContact O-N 3Å; I170-E172 VanDerWaalsContact O-N 3.16Å; I170-L180 HydrophobicContact CB-CD2 4.33Å; I170-L180 HydrophobicContact CD1-CD1 3.8Å; I170-L180 HydrophobicContact CD1-CD2 3.97Å; I170-L180 HydrophobicContact CD1-CG 3.62Å; I170-C184 HydrophobicContact CD1-CB 4.15Å; I170-C184 WeakPolarHBondContact CD1-SG 3.45Å | ||
| 171 | W | 75.4 | Confident | 73.9 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | -170 | -179.3 | -95.8 | 0 | 0 | 0 | 115 | L119 V120 G121 D169 R181 L185 T209 L213 | L119-W171 VanDerWaalsContact O-CB 3.3Å; L119-W171 WeakPolarHBondContact O-CB 3.23Å; V120-W171 HydrophobicContact CB-CD2 4.19Å; V120-W171 HydrophobicContact CB-CE3 4.32Å; V120-W171 HydrophobicContact CG1-CD2 3.94Å; V120-W171 HydrophobicContact CG1-CE3 4.15Å; V120-W171 HydrophobicContact CG1-CH2 3.84Å; V120-W171 HydrophobicContact CG1-CZ2 3.68Å; V120-W171 HydrophobicContact CG1-CZ3 4.09Å; V120-W171 HydrophobicContact CG2-CD2 4.04Å; V120-W171 HydrophobicContact CG2-CE3 3.69Å; V120-W171 HydrophobicContact CG2-CZ3 3.94Å; G121-W171 VanDerWaalsContact N-CD1 3.32Å; G121-W171 PolarHBondContact O-NE1 3.05Å; D169-W171 PolarHBondContact O-N 3.16Å; W171-R181 HydrophobicContact CE3-CG 4.09Å; W171-R181 VanDerWaalsContact CZ2-NH2 3.26Å; W171-R181 HydrophobicContact CZ3-CG 3.91Å; W171-L185 HydrophobicContact CZ3-CD2 4.37Å; W171-T209 HydrophobicContact CH2-CG2 4.33Å; W171-T209 HydrophobicContact CZ2-CG2 3.85Å; W171-L213 HydrophobicContact CH2-CD2 3.88Å; W171-L213 HydrophobicContact CZ3-CD2 3.96Å |
| 172 | E | 66.7 | Low | 72.7 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 6.1 | -174.4 | -64.1 | -162.9 | 151.9 | 0 | 0 | 115.7 | G121 S123 K127 I170 G174 | G121-E172 VanDerWaalsContact O-OE1 3.04Å; S123-E172 WeakPolarHBondContact CA-OE1 3.41Å; S123-E172 VanDerWaalsContact CA-OE2 3.25Å; S123-E172 WeakPolarHBondContact CA-OE2 3.47Å; S123-E172 VanDerWaalsContact CB-OE1 3.26Å; S123-E172 WeakPolarHBondContact CB-OE1 3.35Å; S123-E172 VanDerWaalsContact CB-OE2 3.26Å; S123-E172 WeakPolarHBondContact CB-OE2 3.19Å; S123-E172 PolarHBondContact N-OE1 2.55Å; S123-E172 PolarHBondContact OG-OE2 3.26Å; K127-E172 IonicContact NZ-OE1 2.84Å; K127-E172 PolarHBondContact NZ-OE1 3.42Å; K127-E172 IonicContact NZ-OE2 2.87Å; K127-E172 PolarHBondContact NZ-OE2 3.36Å; I170-E172 PolarHBondContact O-N 3Å; I170-E172 VanDerWaalsContact O-N 3.16Å; E172-G174 PolarHBondContact O-N 3.16Å |
| 173 | Q | 56.5 | Low | 71.4 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | trans | -67.6 | 121.7 | 165.4 | -74.5 | -176.8 | -4 | 0 | 0 | 108.7 | D150 | D150-Q173 PolarHBondContact OD2-NE2 3.45Š| ||
| 174 | G | 51.7 | Low | 70 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | trans | -70.3 | -165 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E172 A176 G177 | E172-G174 PolarHBondContact O-N 3.16Å; G174-A176 PolarHBondContact O-N 3.01Å; G174-G177 PolarHBondContact O-N 2.9Å | ||
| 175 | D | 46.8 | Very low | 68.9 | Low | 183 Ų | 183 | 57.6 Ų | 57.6 | 98% | 0.979 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -23.6 | -23.4 | -163.6 | -60.5 | -21.8 | 0 | 0 | 0 | 122.1 | G177 | D175-G177 PolarHBondContact O-N 3.02Š|
| 176 | A | 45.1 | Very low | 67.9 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 77% | 0.769 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -18.4 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | G174 G178 | G174-A176 PolarHBondContact O-N 3.01Å; A176-G178 PolarHBondContact O-N 2.88Å |
| 177 | G | 50.3 | Low | 67.3 | Low | 15 Ų | 15 | 65.4 Ų | 65.4 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.7 | 3.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | G174 D175 R181 | G174-G177 PolarHBondContact O-N 2.9Å; D175-G177 PolarHBondContact O-N 3.02Å; G177-R181 WeakPolarHBondContact O-CB 3.5Å; G177-R181 PolarHBondContact O-N 3.34Å |
| 178 | G | 58.8 | Low | 67.1 | Low | 43 Ų | 43 | 65.5 Ų | 65.5 | 44% | 0.443 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.8 | -62.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A176 L180 R181 D182 | A176-G178 PolarHBondContact O-N 2.88Å; G178-L180 PolarHBondContact O-N 3.45Å; G178-R181 PolarHBondContact O-N 3.45Å; G178-D182 WeakPolarHBondContact O-CB 3.29Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 3.07Å |
| 179 | W | 58.7 | Low | 67.1 | Low | 218 Ų | 218 | 65.8 Ų | 65.8 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.7 | -51.2 | 178.9 | -176.7 | -47.6 | 0 | 0 | 0 | 111.7 | R181 D182 H183 | W179-R181 VanDerWaalsContact C-N 3.28Å; W179-R181 PolarHBondContact O-N 2.82Å; W179-D182 PolarHBondContact O-N 3.07Å; W179-D182 VanDerWaalsContact O-N 3.14Å; W179-H183 WeakPolarHBondContact O-CB 3.45Å; W179-H183 PolarHBondContact O-N 3.35Å |
| 180 | L | 58.7 | Low | 67.4 | Low | 71 Ų | 71 | 65.3 Ų | 65.3 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | -174.2 | -178.9 | 59.3 | 0 | 0 | 0 | 111.4 | I170 G178 C184 | I170-L180 HydrophobicContact CB-CD2 4.33Å; I170-L180 HydrophobicContact CD1-CD1 3.8Å; I170-L180 HydrophobicContact CD1-CD2 3.97Å; I170-L180 HydrophobicContact CD1-CG 3.62Å; G178-L180 PolarHBondContact O-N 3.45Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 3.12Å |
| 181 | R | 64.9 | Low | 68.1 | Low | 73 Ų | 73 | 64.4 Ų | 64.4 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 174.1 | -174 | 164.9 | 170.9 | -100 | 6.2 | 111.4 | W171 G177 G178 W179 H183 C184 L185 | W171-R181 HydrophobicContact CE3-CG 4.09Å; W171-R181 VanDerWaalsContact CZ2-NH2 3.26Å; W171-R181 HydrophobicContact CZ3-CG 3.91Å; G177-R181 WeakPolarHBondContact O-CB 3.5Å; G177-R181 PolarHBondContact O-N 3.34Å; G178-R181 PolarHBondContact O-N 3.45Å; W179-R181 VanDerWaalsContact C-N 3.28Å; W179-R181 PolarHBondContact O-N 2.82Å; R181-H183 VanDerWaalsContact C-N 3.34Å; R181-H183 PolarHBondContact O-N 2.67Å; R181-C184 PolarHBondContact O-N 3.39Å; R181-L185 HydrophobicContact CG-CD1 4.39Å; R181-L185 WeakPolarHBondContact O-CB 3.44Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.31Å |
| 182 | D | 67.9 | Low | 69.2 | Low | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 178 | -69.9 | -17.1 | 0 | 0 | 0 | 112.4 | G178 W179 L185 Q186 | G178-D182 WeakPolarHBondContact O-CB 3.29Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 3.07Å; W179-D182 PolarHBondContact O-N 3.07Å; W179-D182 VanDerWaalsContact O-N 3.14Å; D182-L185 WeakPolarHBondContact O-CB 3.21Å; D182-L185 PolarHBondContact O-N 3.26Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.5Å; D182-Q186 PolarHBondContact O-N 2.96Å |
| 183 | H | 65.9 | Low | 70.6 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 174.4 | -174.6 | 74.5 | 0 | 0 | 0 | 112.4 | W179 R181 Q186 T187 | W179-H183 WeakPolarHBondContact O-CB 3.45Å; W179-H183 PolarHBondContact O-N 3.35Å; R181-H183 VanDerWaalsContact C-N 3.34Å; R181-H183 PolarHBondContact O-N 2.67Å; H183-Q186 WeakPolarHBondContact O-CB 3.37Å; H183-Q186 PolarHBondContact O-N 3.48Å; H183-T187 WeakPolarHBondContact O-CB 3.49Å; H183-T187 WeakPolarHBondContact O-CG2 3.37Å; H183-T187 PolarHBondContact O-N 2.94Å; H183-T187 PolarHBondContact O-OG1 3.03Å |
| 184 | C | 64.6 | Low | 72.6 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.2 | -30.1 | 175.6 | -77.6 | 0 | 0 | 0 | 0 | 113.4 | M118 I170 L180 R181 Q186 T187 G188 | M118-C184 HydrophobicContact CE-CB 3.46Å; M118-C184 VanDerWaalsContact CE-CB 3.46Å; M118-C184 HydrophobicContact SD-CB 3.76Å; I170-C184 HydrophobicContact CD1-CB 4.15Å; I170-C184 WeakPolarHBondContact CD1-SG 3.45Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 3.12Å; R181-C184 PolarHBondContact O-N 3.39Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.36Å; C184-T187 PolarHBondContact O-N 3.28Å; C184-G188 PolarHBondContact O-N 2.86Å |
| 185 | L | 70.3 | Confident | 74.8 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 164.8 | -69.7 | 173.9 | 0 | 0 | 0 | 111 | W171 R181 D182 F191 L213 R217 | W171-L185 HydrophobicContact CZ3-CD2 4.37Å; R181-L185 HydrophobicContact CG-CD1 4.39Å; R181-L185 WeakPolarHBondContact O-CB 3.44Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.31Å; D182-L185 WeakPolarHBondContact O-CB 3.21Å; D182-L185 PolarHBondContact O-N 3.26Å; L185-F191 HydrophobicContact CD2-CE1 3.92Å; L185-F191 HydrophobicContact CD2-CZ 4.42Å; L185-L213 HydrophobicContact CD2-CD2 3.28Å; L185-R217 VanDerWaalsContact O-CD 3.24Å; L185-R217 WeakPolarHBondContact O-CD 3.46Å; L185-R217 PolarHBondContact O-NE 2.89Å; L185-R217 PolarHBondContact O-NH1 3.05Å; L185-R217 PolarHBondContact O-NH2 2.67Å |
| 186 | Q | 74.5 | Confident | 77.3 | Confident | 127 Ų | 127 | 43 Ų | 43 | 59% | 0.593 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -74.4 | -35.9 | 176.2 | -72.8 | 172.3 | 19 | 0 | 0 | 113.9 | D182 H183 C184 R217 | D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.5Å; D182-Q186 PolarHBondContact O-N 2.96Å; H183-Q186 WeakPolarHBondContact O-CB 3.37Å; H183-Q186 PolarHBondContact O-N 3.48Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.36Å; Q186-R217 PolarHBondContact O-NH1 3.21Å |
| 187 | T | 81 | Confident | 79.9 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 28% | 0.282 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -103.9 | -15.4 | -169.2 | 55.7 | 0 | 0 | 0 | 0 | 116.2 | H183 C184 | H183-T187 WeakPolarHBondContact O-CB 3.49Å; H183-T187 WeakPolarHBondContact O-CG2 3.37Å; H183-T187 PolarHBondContact O-N 2.94Å; H183-T187 PolarHBondContact O-OG1 3.03Å; C184-T187 PolarHBondContact O-N 3.28Å |
| 188 | G | 89.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -65.3 | 140.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C184 R217 | C184-G188 PolarHBondContact O-N 2.86Å; G188-R217 PolarHBondContact O-NH1 2.93Å; G188-R217 PolarHBondContact O-NH2 2.88Å | ||
| 189 | D | 93 | Very high | 84.1 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.2 | -32.4 | 171.2 | -70.8 | -71.6 | 0 | 0 | 0 | 112.1 | F115 K116 P223 I277 R281 | F115-D189 WeakPolarHBondContact CA-OD2 3.24Å; K116-D189 PolarHBondContact N-OD2 3.2Å; K116-D189 WeakPolarHBondContact O-CA 3.33Å; K116-D189 WeakPolarHBondContact O-CB 3.47Å; K116-D189 PolarHBondContact O-N 2.94Å; D189-P223 WeakPolarHBondContact O-CD 3.49Å; D189-P223 VanDerWaalsContact O-CG 3.3Å; D189-P223 WeakPolarHBondContact O-CG 3.49Å; D189-I277 HydrophobicContact CB-CD1 3.65Å; D189-I277 HydrophobicContact CB-CG1 3.97Å; D189-I277 HydrophobicContact CB-CG2 4.14Å; D189-R281 IonicContact OD1-CZ 3.91Å; D189-R281 IonicContact OD1-NE 2.67Å; D189-R281 IonicContact OD1-NH2 2.84Å; D189-R281 PolarHBondContact OD1-NH2 2.83Å; D189-R281 IonicContact OD2-NH2 3.73Å |
| 190 | A | 94.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K116 V117 M118 P223 A273 I277 | K116-A190 PolarHBondContact O-N 2.92Å; K116-A190 VanDerWaalsContact O-N 3.16Å; V117-A190 HydrophobicContact CG2-CB 4.33Å; M118-A190 PolarHBondContact N-O 3.27Å; A190-P223 WeakPolarHBondContact CA-O 3.38Å; A190-P223 HydrophobicContact CB-CB 3.73Å; A190-P223 HydrophobicContact CB-CG 4.35Å; A190-A273 HydrophobicContact CB-CB 4.34Å; A190-I277 HydrophobicContact CB-CD1 3.8Å; A190-I277 HydrophobicContact CB-CG1 3.81Å |
| 191 | F | 95.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.3 | 174.9 | -53.8 | -95.3 | 0 | 0 | 0 | 111.3 | M118 V120 L185 L213 L222 P223 V224 I225 | M118-F191 HydrophobicContact CB-CD1 3.56Å; M118-F191 HydrophobicContact CB-CE1 3.88Å; M118-F191 HydrophobicContact CB-CG 4.42Å; M118-F191 HydrophobicContact CG-CD1 3.96Å; M118-F191 HydrophobicContact CG-CE1 3.74Å; M118-F191 WeakPolarHBondContact O-CA 3.18Å; V120-F191 HydrophobicContact CG2-CD1 4.06Å; L185-F191 HydrophobicContact CD2-CE1 3.92Å; L185-F191 HydrophobicContact CD2-CZ 4.42Å; F191-L213 HydrophobicContact CB-CD1 3.77Å; F191-L213 HydrophobicContact CD1-CD1 4.05Å; F191-L213 HydrophobicContact CD1-CD2 4.02Å; F191-L213 HydrophobicContact CD2-CD1 4.43Å; F191-L213 HydrophobicContact CE1-CD2 4.31Å; F191-L213 HydrophobicContact CG-CD1 3.82Å; F191-L222 HydrophobicContact CD2-CB 4.49Å; F191-L222 HydrophobicContact CD2-CD1 4.33Å; F191-L222 HydrophobicContact CE2-CB 4.41Å; F191-L222 HydrophobicContact CE2-CD1 3.75Å; F191-L222 HydrophobicContact CE2-CD2 4.27Å; F191-L222 HydrophobicContact CE2-CG 4.37Å; F191-L222 HydrophobicContact CZ-CD1 4.49Å; F191-P223 PolarHBondContact N-O 2.71Å; F191-V224 HydrophobicContact CB-CG2 4.36Å; F191-V224 HydrophobicContact CD2-CG2 4.42Å; F191-V224 WeakPolarHBondContact O-CA 3.46Å; F191-I225 PolarHBondContact O-N 3.37Å; F191-I225 VanDerWaalsContact O-N 3.09Å |
| 192 | L | 97.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 104.7 | 172.9 | -52.8 | -173.8 | 0 | 0 | 0 | 107.4 | V117 M118 L119 V120 V194 I225 V227 L269 F270 A273 | V117-L192 HydrophobicContact CG1-CD1 3.64Å; V117-L192 HydrophobicContact CG1-CD2 4.35Å; V117-L192 HydrophobicContact CG1-CG 3.63Å; M118-L192 PolarHBondContact O-N 2.72Å; L119-L192 HydrophobicContact CD2-CB 3.88Å; L119-L192 HydrophobicContact CD2-CD1 3.72Å; L119-L192 HydrophobicContact CD2-CG 4.17Å; V120-L192 PolarHBondContact N-O 2.86Å; L192-V194 PolarHBondContact O-N 2.86Å; L192-I225 WeakPolarHBondContact CA-O 3.46Å; L192-I225 HydrophobicContact CD2-CB 3.84Å; L192-I225 HydrophobicContact CD2-CD1 4.07Å; L192-I225 HydrophobicContact CD2-CG1 4.1Å; L192-V227 HydrophobicContact CB-CG2 4.08Å; L192-L269 HydrophobicContact CD1-CD1 3.98Å; L192-L269 HydrophobicContact CD1-CD2 4.06Å; L192-L269 HydrophobicContact CD1-CG 3.96Å; L192-L269 HydrophobicContact CD2-CD1 3.87Å; L192-L269 HydrophobicContact CG-CD1 4.46Å; L192-F270 HydrophobicContact CD1-CD1 4.22Å; L192-F270 HydrophobicContact CD1-CE1 3.78Å; L192-F270 HydrophobicContact CD1-CZ 4.44Å; L192-A273 HydrophobicContact CD2-CB 4.37Å |
| 193 | I | 97.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 100.4 | 175.5 | -54.9 | 178.8 | 0 | 0 | 0 | 107.8 | V120 V206 T209 L210 L213 V224 I225 L226 V227 | V120-I193 HydrophobicContact CB-CG1 4.49Å; V120-I193 HydrophobicContact CG1-CG1 4.18Å; V120-I193 CarbonylContact O-C 3.53Å; V120-I193 VanDerWaalsContact O-CA 3.3Å; V120-I193 WeakPolarHBondContact O-CA 3.43Å; I193-V206 HydrophobicContact CG2-CB 4.44Å; I193-V206 HydrophobicContact CG2-CG1 4.17Å; I193-V206 HydrophobicContact CG2-CG2 4.06Å; I193-T209 HydrophobicContact CG2-CG2 4.33Å; I193-L210 HydrophobicContact CD1-CB 3.86Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; I193-L213 HydrophobicContact CD1-CD1 3.85Å; I193-L213 HydrophobicContact CG1-CD1 3.99Å; I193-V224 HydrophobicContact CD1-CG1 3.67Å; I193-V224 HydrophobicContact CG1-CG1 3.83Å; I193-I225 PolarHBondContact N-O 3.31Å; I193-L226 HydrophobicContact CB-CD2 3.87Å; I193-L226 HydrophobicContact CD1-CD2 4.07Å; I193-L226 HydrophobicContact CG1-CD2 4.38Å; I193-L226 HydrophobicContact CG2-CD2 4.44Å; I193-L226 WeakPolarHBondContact O-CA 3.46Å; I193-V227 PolarHBondContact O-N 2.95Å |
| 194 | V | 98.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128 | -177.9 | -166.6 | 0 | 0 | 0 | 0 | 110.3 | V120 V125 K127 L130 L192 V227 N229 | V120-V194 PolarHBondContact O-N 2.88Å; V125-V194 HydrophobicContact CB-CG1 4.33Å; V125-V194 HydrophobicContact CG2-CB 3.97Å; V125-V194 HydrophobicContact CG2-CG1 3.81Å; K127-V194 HydrophobicContact CG-CB 4.17Å; K127-V194 HydrophobicContact CG-CG2 4.26Å; L130-V194 HydrophobicContact CD2-CG2 4.21Å; L192-V194 PolarHBondContact O-N 2.86Å; V194-V227 WeakPolarHBondContact CA-O 3.3Å; V194-V227 HydrophobicContact CB-CB 4.48Å; V194-V227 HydrophobicContact CG1-CB 4.43Å; V194-V227 HydrophobicContact CG1-CG1 4.49Å; V194-V227 HydrophobicContact CG2-CB 4.22Å; V194-N229 HydrophobicContact CG1-CB 3.8Å |
| 195 | F | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 162.8 | 165.9 | 68.4 | -86.7 | 0 | 0 | 0 | 109 | V197 F203 V206 L226 V227 G228 N229 V239 H255 | F195-V197 HydrophobicContact CE2-CG1 4.29Å; F195-F203 HydrophobicContact CD1-CD2 4.28Å; F195-F203 HydrophobicContact CD2-CB 3.88Å; F195-F203 AromaticContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CG 4.28Å; F195-F203 HydrophobicContact CE1-CD2 4.14Å; F195-F203 HydrophobicContact CE2-CB 4.43Å; F195-F203 AromaticContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CE2 4.31Å; F195-F203 HydrophobicContact CE2-CG 4.38Å; F195-F203 HydrophobicContact CG-CB 4.32Å; F195-F203 HydrophobicContact CG-CD2 4.1Å; F195-F203 AromaticContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CE2 4.15Å; F195-V206 HydrophobicContact CB-CG2 4.09Å; F195-V206 HydrophobicContact CD1-CG2 3.99Å; F195-V206 HydrophobicContact CG-CG2 4.29Å; F195-L226 HydrophobicContact CE1-CB 4.47Å; F195-V227 WeakPolarHBondContact CD1-O 3.41Å; F195-V227 PolarHBondContact N-O 2.89Å; F195-V227 VanDerWaalsContact O-O 3.09Å; F195-G228 VanDerWaalsContact CZ-CA 3.42Å; F195-N229 PolarHBondContact O-N 2.73Å; F195-V239 HydrophobicContact CE2-CB 4.38Å; F195-V239 HydrophobicContact CE2-CG1 4Å; F195-H255 AromaticContact CE1-NE2 3.95Å; F195-H255 AromaticContact CZ-NE2 3.63Å |
| 196 | S | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.7 | 174.2 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | T198 D199 S202 K230 | S196-T198 PolarHBondContact O-N 2.73Å; S196-T198 VanDerWaalsContact O-N 3.09Å; S196-T198 PolarHBondContact OG-OG1 2.81Å; S196-D199 PolarHBondContact O-N 3.14Å; S196-S202 PolarHBondContact N-OG 3.29Å; S196-K230 VanDerWaalsContact OG-CD 3.27Å; S196-K230 WeakPolarHBondContact OG-CD 3.48Å; S196-K230 WeakPolarHBondContact OG-CE 3.03Å |
| 197 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.8 | 174 | -55 | 0 | 0 | 0 | 0 | 112.7 | F195 N229 K230 R237 E238 V239 | F195-V197 HydrophobicContact CE2-CG1 4.29Å; V197-N229 PolarHBondContact N-O 3.3Å; V197-K230 WeakPolarHBondContact CG2-O 3.45Å; V197-R237 HydrophobicContact CB-CG 4.43Å; V197-R237 CarbonylContact O-C 3.59Å; V197-R237 WeakPolarHBondContact O-CA 3.48Å; V197-E238 PolarHBondContact O-N 3.27Å; V197-V239 PolarHBondContact O-N 2.92Å |
| 198 | T | 98.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 34 Ų | 34 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 12 | 175.4 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | S196 L233 S236 | S196-T198 PolarHBondContact O-N 2.73Å; S196-T198 VanDerWaalsContact O-N 3.09Å; S196-T198 PolarHBondContact OG-OG1 2.81Å; T198-L233 HydrophobicContact CG2-CB 3.48Å; T198-L233 VanDerWaalsContact CG2-CB 3.48Å; T198-L233 HydrophobicContact CG2-CD1 3.93Å; T198-L233 HydrophobicContact CG2-CG 4.33Å; T198-S236 VanDerWaalsContact CA-O 3.28Å; T198-S236 WeakPolarHBondContact CA-O 3.43Å; T198-S236 WeakPolarHBondContact CB-O 3.36Å; T198-S236 WeakPolarHBondContact CG2-O 3.36Å |
| 199 | D | 98.3 | Very high | 96.8 | Very high | 46 Ų | 46 | 34 Ų | 34 | 25% | 0.246 | 16% | 0.163 | C | C | . | . | trans | -142.1 | 102.6 | 172.8 | 170 | 28.6 | 0 | 0 | 0 | 110.4 | S196 R201 S202 F203 E238 | S196-D199 PolarHBondContact O-N 3.14Å; D199-R201 PolarHBondContact O-N 3.37Å; D199-R201 WeakPolarHBondContact OD1-CA 3.44Å; D199-R201 WeakPolarHBondContact OD1-CB 3.49Å; D199-R201 WeakPolarHBondContact OD1-CG 3.49Å; D199-R201 PolarHBondContact OD1-N 2.79Å; D199-S202 PolarHBondContact O-N 2.73Å; D199-S202 PolarHBondContact O-OG 3.41Å; D199-S202 WeakPolarHBondContact OD2-CB 3.36Å; D199-S202 PolarHBondContact OD2-N 2.89Å; D199-S202 PolarHBondContact OD2-OG 2.89Å; D199-F203 PolarHBondContact O-N 3.33Å; D199-E238 WeakPolarHBondContact CA-OE2 3.04Å | ||
| 200 | R | 98.4 | Very high | 96.8 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60 | -26.1 | 177.7 | -167 | 63.1 | 175.3 | -154.2 | 7.4 | 113 | S204 E238 E243 | R200-S204 WeakPolarHBondContact O-CB 3.4Å; R200-S204 PolarHBondContact O-N 3.43Å; R200-S204 PolarHBondContact O-OG 3.11Å; R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 VanDerWaalsContact CB-OE2 3.3Å; R200-E238 WeakPolarHBondContact CB-OE2 3.48Å; R200-E238 PolarHBondContact N-OE2 2.84Å; R200-E238 PolarHBondContact NH1-O 3.22Å; R200-E243 IonicContact CZ-OE1 2.66Å; R200-E243 VanDerWaalsContact NH1-CD 3.26Å; R200-E243 IonicContact NH1-OE1 2.73Å; R200-E243 PolarHBondContact NH1-OE1 2.95Å; R200-E243 IonicContact NH1-OE2 3.45Å; R200-E243 PolarHBondContact NH1-OE2 2.89Å; R200-E243 IonicContact NH2-OE1 3.68Å; R200-E243 PolarHBondContact NH2-OE1 3.17Å |
| 201 | R | 98.1 | Very high | 96.5 | Very high | 205 Ų | 205 | 38 Ų | 38 | 77% | 0.774 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -69.8 | -47.1 | 178.8 | -55.2 | 179.4 | 176.6 | -167.7 | -1.1 | 110.3 | D199 F203 S204 K205 | D199-R201 PolarHBondContact O-N 3.37Å; D199-R201 WeakPolarHBondContact OD1-CA 3.44Å; D199-R201 WeakPolarHBondContact OD1-CB 3.49Å; D199-R201 WeakPolarHBondContact OD1-CG 3.49Å; D199-R201 PolarHBondContact OD1-N 2.79Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.68Å; R201-S204 WeakPolarHBondContact O-CB 3.37Å; R201-S204 PolarHBondContact O-N 3.1Å; R201-S204 VanDerWaalsContact O-N 3.12Å; R201-K205 PolarHBondContact O-N 3.3Å |
| 202 | S | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.1 | -42 | 174 | 72 | 0 | 0 | 0 | 0 | 113.1 | V125 S196 D199 K205 | V125-S202 VanDerWaalsContact CG1-CB 3.48Å; S196-S202 PolarHBondContact N-OG 3.29Å; D199-S202 PolarHBondContact O-N 2.73Å; D199-S202 PolarHBondContact O-OG 3.41Å; D199-S202 WeakPolarHBondContact OD2-CB 3.36Å; D199-S202 PolarHBondContact OD2-N 2.89Å; D199-S202 PolarHBondContact OD2-OG 2.89Å; S202-K205 PolarHBondContact O-N 3.06Å |
| 203 | F | 98.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.8 | 178.4 | -110.3 | 0 | 0 | 0 | 112.5 | F195 D199 R201 K205 V206 V239 E243 L247 | F195-F203 HydrophobicContact CD1-CD2 4.28Å; F195-F203 HydrophobicContact CD2-CB 3.88Å; F195-F203 AromaticContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CG 4.28Å; F195-F203 HydrophobicContact CE1-CD2 4.14Å; F195-F203 HydrophobicContact CE2-CB 4.43Å; F195-F203 AromaticContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CE2 4.31Å; F195-F203 HydrophobicContact CE2-CG 4.38Å; F195-F203 HydrophobicContact CG-CB 4.32Å; F195-F203 HydrophobicContact CG-CD2 4.1Å; F195-F203 AromaticContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CE2 4.15Å; D199-F203 PolarHBondContact O-N 3.33Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.68Å; F203-K205 PolarHBondContact O-N 3.43Å; F203-V206 WeakPolarHBondContact O-CB 3.48Å; F203-V206 WeakPolarHBondContact O-CG2 3.18Å; F203-V206 PolarHBondContact O-N 3.23Å; F203-V206 VanDerWaalsContact O-N 3.14Å; F203-V239 HydrophobicContact CB-CG2 3.72Å; F203-V239 HydrophobicContact CD1-CG1 4.06Å; F203-V239 HydrophobicContact CD1-CG2 4.15Å; F203-V239 HydrophobicContact CD2-CG1 3.87Å; F203-V239 HydrophobicContact CE1-CG1 4.17Å; F203-V239 HydrophobicContact CE2-CG1 3.98Å; F203-V239 HydrophobicContact CG-CG1 3.9Å; F203-V239 HydrophobicContact CG-CG2 3.9Å; F203-V239 HydrophobicContact CZ-CG1 4.12Å; F203-E243 HydrophobicContact CE1-CB 4.46Å; F203-E243 HydrophobicContact CZ-CB 4.2Å; F203-L247 HydrophobicContact CD2-CD2 4.12Å; F203-L247 HydrophobicContact CE1-CD2 4.34Å; F203-L247 HydrophobicContact CE2-CB 4.08Å; F203-L247 HydrophobicContact CE2-CD2 3.45Å; F203-L247 VanDerWaalsContact CE2-CD2 3.45Å; F203-L247 HydrophobicContact CE2-CG 4.4Å; F203-L247 HydrophobicContact CZ-CB 3.85Å; F203-L247 HydrophobicContact CZ-CD2 3.59Å; F203-L247 HydrophobicContact CZ-CG 4.33Å |
| 204 | S | 98.1 | Very high | 95.1 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 54% | 0.538 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.9 | -22.1 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 113 | R200 R201 P207 | R200-S204 WeakPolarHBondContact O-CB 3.4Å; R200-S204 PolarHBondContact O-N 3.43Å; R200-S204 PolarHBondContact O-OG 3.11Å; R201-S204 WeakPolarHBondContact O-CB 3.37Å; R201-S204 PolarHBondContact O-N 3.1Å; R201-S204 VanDerWaalsContact O-N 3.12Å; S204-P207 WeakPolarHBondContact O-CD 3.33Å |
| 205 | K | 96.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.7 | 177.6 | -76.9 | -74.9 | -176.1 | 180 | 0 | 114.9 | E122 R201 S202 F203 E208 T209 | E122-K205 HydrophobicContact CG-CB 3.62Å; E122-K205 HydrophobicContact CG-CG 3.81Å; R201-K205 PolarHBondContact O-N 3.3Å; S202-K205 PolarHBondContact O-N 3.06Å; F203-K205 PolarHBondContact O-N 3.43Å; K205-E208 WeakPolarHBondContact CD-OE2 3.27Å; K205-E208 VanDerWaalsContact NZ-CD 3.28Å; K205-E208 IonicContact NZ-OE1 3.24Å; K205-E208 PolarHBondContact NZ-OE1 3.23Å; K205-E208 VanDerWaalsContact NZ-OE1 3.12Å; K205-E208 IonicContact NZ-OE2 3.12Å; K205-E208 PolarHBondContact NZ-OE2 2.91Å; K205-T209 VanDerWaalsContact O-CB 3.3Å; K205-T209 WeakPolarHBondContact O-CB 3.1Å; K205-T209 PolarHBondContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 3.18Å |
| 206 | V | 96.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 179.5 | 170.9 | 0 | 0 | 0 | 0 | 113.3 | I193 F195 F203 T209 L210 L226 L247 L251 | I193-V206 HydrophobicContact CG2-CB 4.44Å; I193-V206 HydrophobicContact CG2-CG1 4.17Å; I193-V206 HydrophobicContact CG2-CG2 4.06Å; F195-V206 HydrophobicContact CB-CG2 4.09Å; F195-V206 HydrophobicContact CD1-CG2 3.99Å; F195-V206 HydrophobicContact CG-CG2 4.29Å; F203-V206 WeakPolarHBondContact O-CB 3.48Å; F203-V206 WeakPolarHBondContact O-CG2 3.18Å; F203-V206 PolarHBondContact O-N 3.23Å; F203-V206 VanDerWaalsContact O-N 3.14Å; V206-T209 PolarHBondContact O-N 2.71Å; V206-L210 PolarHBondContact O-N 2.92Å; V206-L226 HydrophobicContact CG1-CD1 3.91Å; V206-L226 HydrophobicContact CG1-CD2 3.56Å; V206-L226 HydrophobicContact CG1-CG 4.36Å; V206-L247 HydrophobicContact CB-CD2 4.06Å; V206-L247 HydrophobicContact CG1-CD2 3.98Å; V206-L251 HydrophobicContact CG1-CD1 3.99Å |
| 207 | P | 96.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | -178.2 | -20.7 | 34 | 0 | 0 | 0 | 112.8 | S204 T209 L210 L211 L247 L251 | S204-P207 WeakPolarHBondContact O-CD 3.33Å; P207-T209 VanDerWaalsContact C-N 3.26Å; P207-T209 PolarHBondContact O-N 2.93Å; P207-L210 PolarHBondContact O-N 3.08Å; P207-L211 WeakPolarHBondContact O-CG 3.45Å; P207-L211 PolarHBondContact O-N 2.82Å; P207-L247 HydrophobicContact CG-CD1 4.19Å; P207-L247 HydrophobicContact CG-CD2 4.45Å; P207-L251 HydrophobicContact CB-CD2 4.5Å; P207-L251 HydrophobicContact CG-CD1 4.46Å |
| 208 | E | 93.1 | Very high | 91 | Very high | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 175 | -177.4 | -169.3 | 135.1 | 0 | 0 | 111.1 | K205 L211 R212 | K205-E208 WeakPolarHBondContact CD-OE2 3.27Å; K205-E208 VanDerWaalsContact NZ-CD 3.28Å; K205-E208 IonicContact NZ-OE1 3.24Å; K205-E208 PolarHBondContact NZ-OE1 3.23Å; K205-E208 VanDerWaalsContact NZ-OE1 3.12Å; K205-E208 IonicContact NZ-OE2 3.12Å; K205-E208 PolarHBondContact NZ-OE2 2.91Å; E208-L211 PolarHBondContact O-N 2.72Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3Å; E208-R212 VanDerWaalsContact O-N 3.07Å; E208-R212 PolarHBondContact O-NE 2.77Å; E208-R212 IonicContact OE1-CZ 3.83Å; E208-R212 IonicContact OE1-NH2 4Å |
| 209 | T | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 179 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | V120 W171 I193 K205 V206 P207 L211 R212 L213 | V120-T209 HydrophobicContact CG1-CG2 3.25Å; W171-T209 HydrophobicContact CH2-CG2 4.33Å; W171-T209 HydrophobicContact CZ2-CG2 3.85Å; I193-T209 HydrophobicContact CG2-CG2 4.33Å; K205-T209 VanDerWaalsContact O-CB 3.3Å; K205-T209 WeakPolarHBondContact O-CB 3.1Å; K205-T209 PolarHBondContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 3.18Å; V206-T209 PolarHBondContact O-N 2.71Å; P207-T209 VanDerWaalsContact C-N 3.26Å; P207-T209 PolarHBondContact O-N 2.93Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.36Å; T209-R212 WeakPolarHBondContact O-CB 3.36Å; T209-R212 PolarHBondContact O-N 3.4Å; T209-R212 PolarHBondContact OG1-NH2 2.83Å; T209-L213 WeakPolarHBondContact O-CG 3.5Å; T209-L213 PolarHBondContact O-N 2.81Å |
| 210 | L | 91.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 174.8 | 178.6 | 60.5 | 0 | 0 | 0 | 112.8 | I193 V206 P207 R212 L213 R214 V224 L251 | I193-L210 HydrophobicContact CD1-CB 3.86Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; V206-L210 PolarHBondContact O-N 2.92Å; P207-L210 PolarHBondContact O-N 3.08Å; L210-R212 VanDerWaalsContact C-N 3.35Å; L210-L213 PolarHBondContact O-N 3.27Å; L210-R214 HydrophobicContact CD1-CG 4.19Å; L210-R214 PolarHBondContact O-N 3.16Å; L210-V224 HydrophobicContact CD1-CB 4.34Å; L210-V224 HydrophobicContact CD1-CG1 4.11Å; L210-V224 HydrophobicContact CD1-CG2 3.98Å; L210-L251 HydrophobicContact CD2-CB 3.66Å; L210-L251 HydrophobicContact CD2-CD1 3.87Å; L210-L251 HydrophobicContact CD2-CD2 4.16Å; L210-L251 HydrophobicContact CD2-CG 4.1Å |
| 211 | L | 90.4 | Very high | 87.7 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 63% | 0.628 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 175.2 | -73.5 | 169.6 | 0 | 0 | 0 | 111.1 | P207 E208 T209 R214 A215 | P207-L211 WeakPolarHBondContact O-CG 3.45Å; P207-L211 PolarHBondContact O-N 2.82Å; E208-L211 PolarHBondContact O-N 2.72Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.36Å; L211-R214 PolarHBondContact O-N 3.35Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.34Å |
| 212 | R | 85.6 | Confident | 87 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.7 | -69.3 | 179.8 | -64.5 | 169.4 | 1.1 | 112.2 | E208 T209 L210 A215 G216 | E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3Å; E208-R212 VanDerWaalsContact O-N 3.07Å; E208-R212 PolarHBondContact O-NE 2.77Å; E208-R212 IonicContact OE1-CZ 3.83Å; E208-R212 IonicContact OE1-NH2 4Å; T209-R212 WeakPolarHBondContact O-CB 3.36Å; T209-R212 PolarHBondContact O-N 3.4Å; T209-R212 PolarHBondContact OG1-NH2 2.83Å; L210-R212 VanDerWaalsContact C-N 3.35Å; R212-A215 PolarHBondContact O-N 3.1Å; R212-G216 PolarHBondContact O-N 2.77Å |
| 213 | L | 86.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 176 | -61.8 | -173.1 | 0 | 0 | 0 | 112.2 | V120 W171 L185 F191 I193 T209 L210 G216 | V120-L213 HydrophobicContact CG1-CD1 4.43Å; V120-L213 HydrophobicContact CG1-CD2 4.3Å; V120-L213 HydrophobicContact CG2-CD2 4.31Å; W171-L213 HydrophobicContact CH2-CD2 3.88Å; W171-L213 HydrophobicContact CZ3-CD2 3.96Å; L185-L213 HydrophobicContact CD2-CD2 3.28Å; F191-L213 HydrophobicContact CB-CD1 3.77Å; F191-L213 HydrophobicContact CD1-CD1 4.05Å; F191-L213 HydrophobicContact CD1-CD2 4.02Å; F191-L213 HydrophobicContact CD2-CD1 4.43Å; F191-L213 HydrophobicContact CE1-CD2 4.31Å; F191-L213 HydrophobicContact CG-CD1 3.82Å; I193-L213 HydrophobicContact CD1-CD1 3.85Å; I193-L213 HydrophobicContact CG1-CD1 3.99Å; T209-L213 WeakPolarHBondContact O-CG 3.5Å; T209-L213 PolarHBondContact O-N 2.81Å; L210-L213 PolarHBondContact O-N 3.27Å; L213-G216 PolarHBondContact O-N 2.9Å |
| 214 | R | 87.2 | Confident | 86.7 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | -178.6 | -73.2 | -178.9 | 175.5 | 158.5 | 4 | 112.4 | L210 L211 G216 R217 L251 | L210-R214 HydrophobicContact CD1-CG 4.19Å; L210-R214 PolarHBondContact O-N 3.16Å; L211-R214 PolarHBondContact O-N 3.35Å; R214-G216 VanDerWaalsContact C-N 3.29Å; R214-G216 PolarHBondContact O-N 3.1Å; R214-R217 CarbonylContact O-C 3.58Å; R214-R217 VanDerWaalsContact O-C 3.25Å; R214-R217 PolarHBondContact O-N 3.04Å; R214-L251 PolarHBondContact NH1-O 2.9Å; R214-L251 PolarHBondContact NH2-O 3.41Å |
| 215 | A | 85.1 | Confident | 86.7 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 65% | 0.653 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.4 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L211 R212 R217 | L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.34Å; R212-A215 PolarHBondContact O-N 3.1Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.86Å |
| 216 | G | 78.2 | Confident | 86.8 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.4 | -20.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R212 L213 R214 | R212-G216 PolarHBondContact O-N 2.77Å; L213-G216 PolarHBondContact O-N 2.9Å; R214-G216 VanDerWaalsContact C-N 3.29Å; R214-G216 PolarHBondContact O-N 3.1Å |
| 217 | R | 78.6 | Confident | 86.9 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 11% | 0.106 | 28% | 0.284 | C | S | . | . | trans | -143.9 | 72.4 | 177.4 | -73.7 | -154.8 | -66.5 | -161.9 | -2.5 | 112.3 | L185 Q186 G188 R214 A215 H219 H220 L222 | L185-R217 VanDerWaalsContact O-CD 3.24Å; L185-R217 WeakPolarHBondContact O-CD 3.46Å; L185-R217 PolarHBondContact O-NE 2.89Å; L185-R217 PolarHBondContact O-NH1 3.05Å; L185-R217 PolarHBondContact O-NH2 2.67Å; Q186-R217 PolarHBondContact O-NH1 3.21Å; G188-R217 PolarHBondContact O-NH1 2.93Å; G188-R217 PolarHBondContact O-NH2 2.88Å; R214-R217 CarbonylContact O-C 3.58Å; R214-R217 VanDerWaalsContact O-C 3.25Å; R214-R217 PolarHBondContact O-N 3.04Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.86Å; R217-H219 PolarHBondContact O-N 2.89Å; R217-H220 HydrophobicContact CB-CB 4.24Å; R217-H220 PolarHBondContact O-N 3.19Å; R217-L222 HydrophobicContact CB-CD1 4.18Å | ||
| 218 | P | 67.4 | Low | 87 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.8 | -173.3 | 26.9 | -35.7 | 0 | 0 | 0 | 114.9 | ||
| 219 | H | 70.7 | Confident | 87.2 | Confident | 177 Ų | 177 | 47.4 Ų | 47.4 | 82% | 0.819 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 5.8 | -178.2 | -61.8 | -57 | 0 | 0 | 0 | 114.6 | R217 | R217-H219 PolarHBondContact O-N 2.89Š|
| 220 | H | 72.4 | Confident | 87.6 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -110.7 | 132.3 | 179.8 | -67.3 | -93.3 | 0 | 0 | 0 | 111.7 | R217 L222 | R217-H220 HydrophobicContact CB-CB 4.24Å; R217-H220 PolarHBondContact O-N 3.19Å; H220-L222 HydrophobicContact CB-CD2 3.48Å; H220-L222 VanDerWaalsContact CB-CD2 3.48Å; H220-L222 HydrophobicContact CB-CG 4.19Å; H220-L222 PolarHBondContact O-N 2.76Å; H220-L222 VanDerWaalsContact O-N 3.07Å |
| 221 | D | 81.9 | Confident | 87.9 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | trans | -78 | 90.8 | 170.8 | -173.9 | 26.5 | 0 | 0 | 0 | 109.8 | P223 R280 | D221-P223 WeakPolarHBondContact O-CD 3.3Å; D221-R280 WeakPolarHBondContact O-CD 3.18Å; D221-R280 IonicContact OD1-CZ 3.15Å; D221-R280 IonicContact OD1-NH1 2.68Å; D221-R280 PolarHBondContact OD1-NH1 3.05Å; D221-R280 VanDerWaalsContact OD2-CD 3.23Å; D221-R280 WeakPolarHBondContact OD2-CD 3.32Å; D221-R280 WeakPolarHBondContact OD2-CG 3.33Å; D221-R280 IonicContact OD2-NE 2.73Å; D221-R280 IonicContact OD2-NH1 2.86Å | ||
| 222 | L | 84.7 | Confident | 88.3 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | trans | -83.8 | 120 | -169.7 | -60.2 | -172.2 | 0 | 0 | 0 | 113.5 | F191 R217 H220 V224 R280 | F191-L222 HydrophobicContact CD2-CB 4.49Å; F191-L222 HydrophobicContact CD2-CD1 4.33Å; F191-L222 HydrophobicContact CE2-CB 4.41Å; F191-L222 HydrophobicContact CE2-CD1 3.75Å; F191-L222 HydrophobicContact CE2-CD2 4.27Å; F191-L222 HydrophobicContact CE2-CG 4.37Å; F191-L222 HydrophobicContact CZ-CD1 4.49Å; R217-L222 HydrophobicContact CB-CD1 4.18Å; H220-L222 HydrophobicContact CB-CD2 3.48Å; H220-L222 VanDerWaalsContact CB-CD2 3.48Å; H220-L222 HydrophobicContact CB-CG 4.19Å; H220-L222 PolarHBondContact O-N 2.76Å; H220-L222 VanDerWaalsContact O-N 3.07Å; L222-V224 HydrophobicContact CB-CG2 4.28Å; L222-V224 PolarHBondContact O-N 2.98Å; L222-V224 VanDerWaalsContact O-N 3.07Å; L222-R280 VanDerWaalsContact O-CZ 3.24Å; L222-R280 PolarHBondContact O-NH1 3.32Å; L222-R280 PolarHBondContact O-NH2 2.85Å | ||
| 223 | P | 93 | Very high | 88.9 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | trans | -55 | 113.1 | 163.4 | -20.6 | 31.7 | 0 | 0 | 0 | 110.5 | D189 A190 F191 D221 Q276 I277 | D189-P223 WeakPolarHBondContact O-CD 3.49Å; D189-P223 VanDerWaalsContact O-CG 3.3Å; D189-P223 WeakPolarHBondContact O-CG 3.49Å; A190-P223 WeakPolarHBondContact CA-O 3.38Å; A190-P223 HydrophobicContact CB-CB 3.73Å; A190-P223 HydrophobicContact CB-CG 4.35Å; F191-P223 PolarHBondContact N-O 2.71Å; D221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-Q276 HydrophobicContact CB-CB 4.01Å; P223-I277 HydrophobicContact CB-CG1 4.36Å; P223-I277 HydrophobicContact CG-CB 4.5Å; P223-I277 HydrophobicContact CG-CG1 3.93Å | ||
| 224 | V | 95.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.3 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | F191 I193 L210 L222 L226 K254 | F191-V224 HydrophobicContact CB-CG2 4.36Å; F191-V224 HydrophobicContact CD2-CG2 4.42Å; F191-V224 WeakPolarHBondContact O-CA 3.46Å; I193-V224 HydrophobicContact CD1-CG1 3.67Å; I193-V224 HydrophobicContact CG1-CG1 3.83Å; L210-V224 HydrophobicContact CD1-CB 4.34Å; L210-V224 HydrophobicContact CD1-CG1 4.11Å; L210-V224 HydrophobicContact CD1-CG2 3.98Å; L222-V224 HydrophobicContact CB-CG2 4.28Å; L222-V224 PolarHBondContact O-N 2.98Å; L222-V224 VanDerWaalsContact O-N 3.07Å; V224-L226 HydrophobicContact CG1-CD2 4.45Å; V224-K254 PolarHBondContact O-N 3.1Å |
| 225 | I | 98.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.4 | 174.4 | -49.3 | -175.8 | 0 | 0 | 0 | 107.6 | F191 L192 I193 V227 K254 I256 L269 Q276 | F191-I225 PolarHBondContact O-N 3.37Å; F191-I225 VanDerWaalsContact O-N 3.09Å; L192-I225 WeakPolarHBondContact CA-O 3.46Å; L192-I225 HydrophobicContact CD2-CB 3.84Å; L192-I225 HydrophobicContact CD2-CD1 4.07Å; L192-I225 HydrophobicContact CD2-CG1 4.1Å; I193-I225 PolarHBondContact N-O 3.31Å; I225-V227 HydrophobicContact CG2-CG2 4.39Å; I225-K254 HydrophobicContact CB-CB 4.42Å; I225-K254 HydrophobicContact CG1-CB 4.17Å; I225-K254 HydrophobicContact CG2-CB 4.08Å; I225-I256 HydrophobicContact CG2-CG2 4.07Å; I225-L269 HydrophobicContact CD1-CD1 4.49Å; I225-L269 HydrophobicContact CG2-CD1 4.02Å; I225-Q276 HydrophobicContact CD1-CG 4.33Å |
| 226 | L | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130.1 | 169.9 | -55 | -169.8 | 0 | 0 | 0 | 108.9 | I193 F195 V206 V224 L247 A248 L251 C253 K254 H255 I256 | I193-L226 HydrophobicContact CB-CD2 3.87Å; I193-L226 HydrophobicContact CD1-CD2 4.07Å; I193-L226 HydrophobicContact CG1-CD2 4.38Å; I193-L226 HydrophobicContact CG2-CD2 4.44Å; I193-L226 WeakPolarHBondContact O-CA 3.46Å; F195-L226 HydrophobicContact CE1-CB 4.47Å; V206-L226 HydrophobicContact CG1-CD1 3.91Å; V206-L226 HydrophobicContact CG1-CD2 3.56Å; V206-L226 HydrophobicContact CG1-CG 4.36Å; V224-L226 HydrophobicContact CG1-CD2 4.45Å; L226-L247 HydrophobicContact CD1-CG 4.45Å; L226-A248 HydrophobicContact CD1-CB 3.83Å; L226-A248 HydrophobicContact CG-CB 4.39Å; L226-L251 HydrophobicContact CD1-CD1 4.35Å; L226-C253 HydrophobicContact CD1-CB 4.4Å; L226-C253 HydrophobicContact CD2-CB 4.31Å; L226-C253 HydrophobicContact CG-CB 3.9Å; L226-K254 PolarHBondContact N-O 2.83Å; L226-H255 WeakPolarHBondContact O-CA 3.35Å; L226-I256 PolarHBondContact O-N 2.84Å; L226-I256 VanDerWaalsContact O-N 3.08Å |
| 227 | V | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.2 | -173.7 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | L130 L192 I193 V194 F195 I225 N229 I256 T258 L269 | L130-V227 HydrophobicContact CD2-CG1 4.37Å; L192-V227 HydrophobicContact CB-CG2 4.08Å; I193-V227 PolarHBondContact O-N 2.95Å; V194-V227 WeakPolarHBondContact CA-O 3.3Å; V194-V227 HydrophobicContact CB-CB 4.48Å; V194-V227 HydrophobicContact CG1-CB 4.43Å; V194-V227 HydrophobicContact CG1-CG1 4.49Å; V194-V227 HydrophobicContact CG2-CB 4.22Å; F195-V227 WeakPolarHBondContact CD1-O 3.41Å; F195-V227 PolarHBondContact N-O 2.89Å; F195-V227 VanDerWaalsContact O-O 3.09Å; I225-V227 HydrophobicContact CG2-CG2 4.39Å; V227-N229 PolarHBondContact O-N 2.94Å; V227-I256 WeakPolarHBondContact CA-O 3.4Å; V227-I256 HydrophobicContact CG2-CG2 4.39Å; V227-T258 HydrophobicContact CG1-CG2 3.97Å; V227-T258 WeakPolarHBondContact CG1-OG1 2.99Å; V227-L269 HydrophobicContact CG1-CD2 3.81Å; V227-L269 HydrophobicContact CG2-CD1 3.52Å; V227-L269 HydrophobicContact CG2-CD2 3.96Å; V227-L269 HydrophobicContact CG2-CG 4.43Å |
| 228 | G | 98.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 88.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F195 I256 E257 T258 | F195-G228 VanDerWaalsContact CZ-CA 3.42Å; G228-I256 PolarHBondContact N-O 2.9Å; G228-E257 CarbonylContact O-C 3.59Å; G228-E257 WeakPolarHBondContact O-CA 3.27Å; G228-T258 PolarHBondContact O-N 3.45Å |
| 229 | N | 98.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 164.8 | -176.5 | -167.6 | 27.3 | 0 | 0 | 0 | 112.3 | V125 V194 F195 V197 V227 T258 A260 | V125-N229 PolarHBondContact O-ND2 3.3Å; V194-N229 HydrophobicContact CG1-CB 3.8Å; F195-N229 PolarHBondContact O-N 2.73Å; V197-N229 PolarHBondContact N-O 3.3Å; V227-N229 PolarHBondContact O-N 2.94Å; N229-T258 CarbonylContact C-O 3.38Å; N229-T258 WeakPolarHBondContact CA-O 3.29Å; N229-T258 PolarHBondContact OD1-O 2.77Å; N229-T258 PolarHBondContact OD1-OG1 2.72Å; N229-A260 PolarHBondContact OD1-N 2.98Å |
| 230 | K | 98.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | trans | 64.9 | 35 | -175.8 | -42.6 | -171.3 | -160.2 | 168.2 | 0 | 113.8 | G124 S196 V197 D232 L233 T258 | G124-K230 WeakPolarHBondContact O-CE 3.43Å; G124-K230 PolarHBondContact O-NZ 3.07Å; S196-K230 VanDerWaalsContact OG-CD 3.27Å; S196-K230 WeakPolarHBondContact OG-CD 3.48Å; S196-K230 WeakPolarHBondContact OG-CE 3.03Å; V197-K230 WeakPolarHBondContact CG2-O 3.45Å; K230-D232 VanDerWaalsContact C-OD1 3.22Å; K230-D232 VanDerWaalsContact CA-OD1 3.29Å; K230-D232 WeakPolarHBondContact CA-OD1 3.36Å; K230-D232 PolarHBondContact O-N 3.2Å; K230-D232 VanDerWaalsContact O-N 3.12Å; K230-L233 HydrophobicContact CB-CD1 4.06Å; K230-L233 HydrophobicContact CB-CG 4.28Å; K230-L233 HydrophobicContact CD-CD1 4.08Å; K230-L233 PolarHBondContact O-N 2.96Å; K230-T258 PolarHBondContact N-O 3.14Å | ||
| 231 | S | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.8 | -179.4 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | L233 T258 | S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 3.42Å; S231-T258 PolarHBondContact N-O 2.78Å; S231-T258 VanDerWaalsContact OG-C 3.28Å; S231-T258 PolarHBondContact OG-O 3.33Å; S231-T258 VanDerWaalsContact OG-O 3.12Å |
| 232 | D | 98.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.8 | 171.6 | 57.2 | -74.5 | 0 | 0 | 0 | 114.1 | K230 A234 S259 L262 | K230-D232 VanDerWaalsContact C-OD1 3.22Å; K230-D232 VanDerWaalsContact CA-OD1 3.29Å; K230-D232 WeakPolarHBondContact CA-OD1 3.36Å; K230-D232 PolarHBondContact O-N 3.2Å; K230-D232 VanDerWaalsContact O-N 3.12Å; D232-A234 PolarHBondContact O-N 3.24Å; D232-S259 WeakPolarHBondContact OD1-CB 3.3Å; D232-S259 PolarHBondContact OD1-OG 3.46Å; D232-L262 HydrophobicContact CB-CD1 3.5Å; D232-L262 HydrophobicContact CB-CG 3.97Å |
| 233 | L | 97.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | trans | -81.9 | 48.2 | -177.1 | -61 | -175.7 | 0 | 0 | 0 | 112.4 | T198 K230 S231 R235 S236 R237 | T198-L233 HydrophobicContact CG2-CB 3.48Å; T198-L233 VanDerWaalsContact CG2-CB 3.48Å; T198-L233 HydrophobicContact CG2-CD1 3.93Å; T198-L233 HydrophobicContact CG2-CG 4.33Å; K230-L233 HydrophobicContact CB-CD1 4.06Å; K230-L233 HydrophobicContact CB-CG 4.28Å; K230-L233 HydrophobicContact CD-CD1 4.08Å; K230-L233 PolarHBondContact O-N 2.96Å; S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 3.42Å; L233-R235 PolarHBondContact O-N 3.47Å; L233-R235 VanDerWaalsContact O-N 3.07Å; L233-S236 CarbonylContact O-C 3.59Å; L233-S236 PolarHBondContact O-N 2.9Å; L233-R237 PolarHBondContact O-N 3.48Å | ||
| 234 | A | 96.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -54.8 | -32 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D232 S236 R237 | D232-A234 PolarHBondContact O-N 3.24Å; A234-S236 VanDerWaalsContact C-N 3.3Å; A234-S236 PolarHBondContact O-N 3.39Å; A234-R237 WeakPolarHBondContact O-CB 3.47Å |
| 235 | R | 97.9 | Very high | 98.2 | Very high | 253 Ų | 253 | 60.5 Ų | 60.5 | 96% | 0.955 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -73 | -19 | 177.2 | -68 | -171.2 | -66.9 | 169 | -1.6 | 114.2 | L233 | L233-R235 PolarHBondContact O-N 3.47Å; L233-R235 VanDerWaalsContact O-N 3.07Å |
| 236 | S | 98 | Very high | 98.2 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -111.3 | 17.7 | -179.5 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | T198 L233 A234 E238 | T198-S236 VanDerWaalsContact CA-O 3.28Å; T198-S236 WeakPolarHBondContact CA-O 3.43Å; T198-S236 WeakPolarHBondContact CB-O 3.36Å; T198-S236 WeakPolarHBondContact CG2-O 3.36Å; L233-S236 CarbonylContact O-C 3.59Å; L233-S236 PolarHBondContact O-N 2.9Å; A234-S236 VanDerWaalsContact C-N 3.3Å; A234-S236 PolarHBondContact O-N 3.39Å; S236-E238 PolarHBondContact O-N 3.36Å |
| 237 | R | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | trans | -73.3 | 123.9 | -176.2 | 179.5 | -178.3 | -82.4 | -105.6 | 10.9 | 111 | V197 L233 A234 V239 E257 | V197-R237 HydrophobicContact CB-CG 4.43Å; V197-R237 CarbonylContact O-C 3.59Å; V197-R237 WeakPolarHBondContact O-CA 3.48Å; L233-R237 PolarHBondContact O-N 3.48Å; A234-R237 WeakPolarHBondContact O-CB 3.47Å; R237-V239 VanDerWaalsContact CD-O 3.27Å; R237-V239 WeakPolarHBondContact CD-O 3.49Å; R237-V239 WeakPolarHBondContact CG-O 3.36Å; R237-V239 PolarHBondContact NH1-O 2.87Å; R237-E257 IonicContact CZ-OE1 2.71Å; R237-E257 IonicContact CZ-OE2 3.98Å; R237-E257 IonicContact NH1-OE1 3.83Å; R237-E257 PolarHBondContact NH1-OE1 3.5Å; R237-E257 IonicContact NH1-OE2 3.6Å; R237-E257 PolarHBondContact NH1-OE2 2.92Å; R237-E257 IonicContact NH2-OE1 3.57Å; R237-E257 IonicContact NH2-OE2 3.53Å; R237-E257 PolarHBondContact NH2-OE2 3.46Å | ||
| 238 | E | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | trans | -108.3 | -11.2 | 175.5 | -55.3 | -171.6 | 166.7 | 0 | 0 | 112.9 | V197 D199 R200 S236 | V197-E238 PolarHBondContact O-N 3.27Å; D199-E238 WeakPolarHBondContact CA-OE2 3.04Å; R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 VanDerWaalsContact CB-OE2 3.3Å; R200-E238 WeakPolarHBondContact CB-OE2 3.48Å; R200-E238 PolarHBondContact N-OE2 2.84Å; R200-E238 PolarHBondContact NH1-O 3.22Å; S236-E238 PolarHBondContact O-N 3.36Å | ||
| 239 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -127.2 | 120.8 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | F195 V197 F203 R237 E243 | F195-V239 HydrophobicContact CE2-CB 4.38Å; F195-V239 HydrophobicContact CE2-CG1 4Å; V197-V239 PolarHBondContact O-N 2.92Å; F203-V239 HydrophobicContact CB-CG2 3.72Å; F203-V239 HydrophobicContact CD1-CG1 4.06Å; F203-V239 HydrophobicContact CD1-CG2 4.15Å; F203-V239 HydrophobicContact CD2-CG1 3.87Å; F203-V239 HydrophobicContact CE1-CG1 4.17Å; F203-V239 HydrophobicContact CE2-CG1 3.98Å; F203-V239 HydrophobicContact CG-CG1 3.9Å; F203-V239 HydrophobicContact CG-CG2 3.9Å; F203-V239 HydrophobicContact CZ-CG1 4.12Å; R237-V239 VanDerWaalsContact CD-O 3.27Å; R237-V239 WeakPolarHBondContact CD-O 3.49Å; R237-V239 WeakPolarHBondContact CG-O 3.36Å; R237-V239 PolarHBondContact NH1-O 2.87Å; V239-E243 HydrophobicContact CG1-CB 4.27Å |
| 240 | S | 98.5 | Very high | 98 | Very high | 45 Ų | 45 | 75.2 Ų | 75.2 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | trans | -76.1 | 153.1 | 176 | 67.1 | 0 | 0 | 0 | 0 | 112 | E242 E243 G244 | S240-E242 PolarHBondContact O-N 3.12Å; S240-E243 WeakPolarHBondContact CB-OE2 3.46Å; S240-E243 PolarHBondContact N-OE2 2.92Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 VanDerWaalsContact O-N 3.17Å; S240-E243 VanDerWaalsContact OG-CD 3.28Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.35Å; S240-E243 PolarHBondContact OG-OE2 3.29Å; S240-G244 PolarHBondContact O-N 2.75Å; S240-G244 VanDerWaalsContact O-N 3.11Å | ||
| 241 | L | 97.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 73.8 Ų | 73.8 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.4 | -30.8 | 173.9 | 174.6 | 61.9 | 0 | 0 | 0 | 112.2 | R245 E257 | L241-R245 HydrophobicContact CD1-CG 4.3Å; L241-R245 WeakPolarHBondContact O-CB 3.2Å; L241-R245 WeakPolarHBondContact O-CD 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-R245 VanDerWaalsContact O-N 3.1Å; L241-E257 VanDerWaalsContact CA-OE1 3.29Å; L241-E257 WeakPolarHBondContact CA-OE1 3.3Å; L241-E257 WeakPolarHBondContact CB-OE1 3.49Å; L241-E257 HydrophobicContact CD1-CG 3.78Å |
| 242 | E | 98.4 | Very high | 97.6 | Very high | 158 Ų | 158 | 77.6 Ų | 77.6 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.2 | -42.7 | 176.4 | -175 | 165.4 | -166.5 | 0 | 0 | 112 | S240 R245 H246 | S240-E242 PolarHBondContact O-N 3.12Å; E242-R245 PolarHBondContact O-N 3Å; E242-H246 VanDerWaalsContact O-CB 3.23Å; E242-H246 WeakPolarHBondContact O-CB 3.39Å; E242-H246 PolarHBondContact O-N 2.99Å |
| 243 | E | 98.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 75.6 Ų | 75.6 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.7 | -71.6 | 165.6 | 115 | 0 | 0 | 112.1 | R200 F203 V239 S240 H246 L247 | R200-E243 IonicContact CZ-OE1 2.66Å; R200-E243 VanDerWaalsContact NH1-CD 3.26Å; R200-E243 IonicContact NH1-OE1 2.73Å; R200-E243 PolarHBondContact NH1-OE1 2.95Å; R200-E243 IonicContact NH1-OE2 3.45Å; R200-E243 PolarHBondContact NH1-OE2 2.89Å; R200-E243 IonicContact NH2-OE1 3.68Å; R200-E243 PolarHBondContact NH2-OE1 3.17Å; F203-E243 HydrophobicContact CE1-CB 4.46Å; F203-E243 HydrophobicContact CZ-CB 4.2Å; V239-E243 HydrophobicContact CG1-CB 4.27Å; S240-E243 WeakPolarHBondContact CB-OE2 3.46Å; S240-E243 PolarHBondContact N-OE2 2.92Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 VanDerWaalsContact O-N 3.17Å; S240-E243 VanDerWaalsContact OG-CD 3.28Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.35Å; S240-E243 PolarHBondContact OG-OE2 3.29Å; E243-H246 PolarHBondContact O-N 2.97Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 PolarHBondContact O-N 3.05Å |
| 244 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S240 A248 H255 | S240-G244 PolarHBondContact O-N 2.75Å; S240-G244 VanDerWaalsContact O-N 3.11Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.49Å; G244-H255 VanDerWaalsContact C-CD2 3.42Å; G244-H255 VanDerWaalsContact CA-NE2 3.34Å; G244-H255 WeakPolarHBondContact CA-NE2 3.34Å; G244-H255 PolarHBondContact O-CD2 3.32Å; G244-H255 VanDerWaalsContact O-CD2 3.3Å |
| 245 | R | 97.7 | Very high | 97.5 | Very high | 144 Ų | 144 | 73.6 Ų | 73.6 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.5 | -74.7 | 171.2 | 171.3 | 172.6 | -1.5 | 112.7 | L241 E242 A248 G249 | L241-R245 HydrophobicContact CD1-CG 4.3Å; L241-R245 WeakPolarHBondContact O-CB 3.2Å; L241-R245 WeakPolarHBondContact O-CD 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-R245 VanDerWaalsContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 3Å; R245-A248 PolarHBondContact O-N 3.2Å; R245-G249 PolarHBondContact O-N 2.93Å |
| 246 | H | 98.4 | Very high | 97.5 | Very high | 133 Ų | 133 | 62.2 Ų | 62.2 | 62% | 0.616 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 179.4 | 179.7 | 77.4 | 0 | 0 | 0 | 111.7 | E242 E243 G249 T250 | E242-H246 VanDerWaalsContact O-CB 3.23Å; E242-H246 WeakPolarHBondContact O-CB 3.39Å; E242-H246 PolarHBondContact O-N 2.99Å; E243-H246 PolarHBondContact O-N 2.97Å; H246-G249 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-OG1 2.83Å; H246-T250 VanDerWaalsContact O-OG1 3.05Å |
| 247 | L | 98.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.3 | -175.6 | 62.8 | 0 | 0 | 0 | 111.1 | F203 V206 P207 L226 E243 G249 T250 L251 | F203-L247 HydrophobicContact CD2-CD2 4.12Å; F203-L247 HydrophobicContact CE1-CD2 4.34Å; F203-L247 HydrophobicContact CE2-CB 4.08Å; F203-L247 HydrophobicContact CE2-CD2 3.45Å; F203-L247 VanDerWaalsContact CE2-CD2 3.45Å; F203-L247 HydrophobicContact CE2-CG 4.4Å; F203-L247 HydrophobicContact CZ-CB 3.85Å; F203-L247 HydrophobicContact CZ-CD2 3.59Å; F203-L247 HydrophobicContact CZ-CG 4.33Å; V206-L247 HydrophobicContact CB-CD2 4.06Å; V206-L247 HydrophobicContact CG1-CD2 3.98Å; P207-L247 HydrophobicContact CG-CD1 4.19Å; P207-L247 HydrophobicContact CG-CD2 4.45Å; L226-L247 HydrophobicContact CD1-CG 4.45Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 PolarHBondContact O-N 3.05Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.91Å; L247-T250 PolarHBondContact O-N 2.92Å; L247-T250 VanDerWaalsContact O-N 3.16Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.33Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.21Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.33Å |
| 248 | A | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L226 G244 R245 L251 S252 C253 H255 | L226-A248 HydrophobicContact CD1-CB 3.83Å; L226-A248 HydrophobicContact CG-CB 4.39Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.49Å; R245-A248 PolarHBondContact O-N 3.2Å; A248-L251 PolarHBondContact O-N 2.82Å; A248-S252 PolarHBondContact O-N 3.02Å; A248-C253 PolarHBondContact O-N 3.3Å; A248-H255 HydrophobicContact CB-CB 3.62Å |
| 249 | G | 97.2 | Very high | 97.5 | Very high | 56 Ų | 56 | 50.9 Ų | 50.9 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R245 H246 L247 S252 | R245-G249 PolarHBondContact O-N 2.93Å; H246-G249 PolarHBondContact O-N 3.45Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.91Å; G249-S252 PolarHBondContact O-N 3.44Å |
| 250 | T | 97.2 | Very high | 97.4 | Very high | 94 Ų | 94 | 51 Ų | 51 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 177.3 | -61 | 0 | 0 | 0 | 0 | 112.6 | H246 L247 | H246-T250 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-OG1 2.83Å; H246-T250 VanDerWaalsContact O-OG1 3.05Å; L247-T250 PolarHBondContact O-N 2.92Å; L247-T250 VanDerWaalsContact O-N 3.16Å |
| 251 | L | 94.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -88.3 | -4.3 | -179.3 | -64.6 | -176.6 | 0 | 0 | 0 | 114.2 | V206 P207 L210 R214 L226 L247 A248 | V206-L251 HydrophobicContact CG1-CD1 3.99Å; P207-L251 HydrophobicContact CB-CD2 4.5Å; P207-L251 HydrophobicContact CG-CD1 4.46Å; L210-L251 HydrophobicContact CD2-CB 3.66Å; L210-L251 HydrophobicContact CD2-CD1 3.87Å; L210-L251 HydrophobicContact CD2-CD2 4.16Å; L210-L251 HydrophobicContact CD2-CG 4.1Å; R214-L251 PolarHBondContact NH1-O 2.9Å; R214-L251 PolarHBondContact NH2-O 3.41Å; L226-L251 HydrophobicContact CD1-CD1 4.35Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.33Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.21Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.33Å; A248-L251 PolarHBondContact O-N 2.82Å |
| 252 | S | 93.9 | Very high | 97 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 69% | 0.692 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 44.4 | -171.4 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | A248 G249 | A248-S252 PolarHBondContact O-N 3.02Å; G249-S252 PolarHBondContact O-N 3.44Å |
| 253 | C | 95.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 12% | 0.122 | 28% | 0.284 | C | S | . | . | trans | -115 | 163.2 | 177.3 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | L226 A248 | L226-C253 HydrophobicContact CD1-CB 4.4Å; L226-C253 HydrophobicContact CD2-CB 4.31Å; L226-C253 HydrophobicContact CG-CB 3.9Å; A248-C253 PolarHBondContact O-N 3.3Å | ||
| 254 | K | 96.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 53 Ų | 53 | 32% | 0.317 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 161.2 | 165.8 | -61.8 | -65.1 | -173.7 | 163 | 0 | 110 | V224 I225 L226 Q276 L340 | V224-K254 PolarHBondContact O-N 3.1Å; I225-K254 HydrophobicContact CB-CB 4.42Å; I225-K254 HydrophobicContact CG1-CB 4.17Å; I225-K254 HydrophobicContact CG2-CB 4.08Å; L226-K254 PolarHBondContact N-O 2.83Å; K254-Q276 HydrophobicContact CG-CG 4.24Å; K254-L340 HydrophobicContact CB-CD2 4.16Å |
| 255 | H | 98.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 55 Ų | 55 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.2 | 176.7 | -174 | -95 | 0 | 0 | 0 | 111.1 | F195 L226 G244 A248 | F195-H255 AromaticContact CE1-NE2 3.95Å; F195-H255 AromaticContact CZ-NE2 3.63Å; L226-H255 WeakPolarHBondContact O-CA 3.35Å; G244-H255 VanDerWaalsContact C-CD2 3.42Å; G244-H255 VanDerWaalsContact CA-NE2 3.34Å; G244-H255 WeakPolarHBondContact CA-NE2 3.34Å; G244-H255 PolarHBondContact O-CD2 3.32Å; G244-H255 VanDerWaalsContact O-CD2 3.3Å; A248-H255 HydrophobicContact CB-CB 3.62Å |
| 256 | I | 98.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.2 | 170.9 | -167.8 | 180 | 0 | 0 | 0 | 108.7 | I225 L226 V227 G228 T258 N265 E268 L269 L340 | I225-I256 HydrophobicContact CG2-CG2 4.07Å; L226-I256 PolarHBondContact O-N 2.84Å; L226-I256 VanDerWaalsContact O-N 3.08Å; V227-I256 WeakPolarHBondContact CA-O 3.4Å; V227-I256 HydrophobicContact CG2-CG2 4.39Å; G228-I256 PolarHBondContact N-O 2.9Å; I256-T258 HydrophobicContact CD1-CG2 4.42Å; I256-T258 HydrophobicContact CG1-CG2 4.43Å; I256-T258 HydrophobicContact CG2-CG2 4.27Å; I256-N265 HydrophobicContact CD1-CB 3.82Å; I256-N265 HydrophobicContact CG1-CB 4.15Å; I256-E268 HydrophobicContact CD1-CB 4.05Å; I256-L269 HydrophobicContact CD1-CB 4.13Å; I256-L269 HydrophobicContact CG2-CB 4.27Å; I256-L269 HydrophobicContact CG2-CD1 3.67Å; I256-L269 HydrophobicContact CG2-CG 4.46Å; I256-L340 HydrophobicContact CB-CD1 4.14Å; I256-L340 HydrophobicContact CD1-CD1 3.91Å; I256-L340 HydrophobicContact CG1-CD1 4.08Å |
| 257 | E | 98.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.7 | 168.1 | -70.6 | -168.2 | 168.5 | 0 | 0 | 109.6 | G228 R237 L241 N265 | G228-E257 CarbonylContact O-C 3.59Å; G228-E257 WeakPolarHBondContact O-CA 3.27Å; R237-E257 IonicContact CZ-OE1 2.71Å; R237-E257 IonicContact CZ-OE2 3.98Å; R237-E257 IonicContact NH1-OE1 3.83Å; R237-E257 PolarHBondContact NH1-OE1 3.5Å; R237-E257 IonicContact NH1-OE2 3.6Å; R237-E257 PolarHBondContact NH1-OE2 2.92Å; R237-E257 IonicContact NH2-OE1 3.57Å; R237-E257 IonicContact NH2-OE2 3.53Å; R237-E257 PolarHBondContact NH2-OE2 3.46Å; L241-E257 VanDerWaalsContact CA-OE1 3.29Å; L241-E257 WeakPolarHBondContact CA-OE1 3.3Å; L241-E257 WeakPolarHBondContact CB-OE1 3.49Å; L241-E257 HydrophobicContact CD1-CG 3.78Å; E257-N265 WeakPolarHBondContact O-CB 3.35Å; E257-N265 PolarHBondContact O-ND2 2.78Å |
| 258 | T | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -131.1 | 158.2 | -176.1 | 60 | 0 | 0 | 0 | 0 | 111.6 | V227 G228 N229 K230 S231 I256 H264 N265 L269 | V227-T258 HydrophobicContact CG1-CG2 3.97Å; V227-T258 WeakPolarHBondContact CG1-OG1 2.99Å; G228-T258 PolarHBondContact O-N 3.45Å; N229-T258 CarbonylContact C-O 3.38Å; N229-T258 WeakPolarHBondContact CA-O 3.29Å; N229-T258 PolarHBondContact OD1-O 2.77Å; N229-T258 PolarHBondContact OD1-OG1 2.72Å; K230-T258 PolarHBondContact N-O 3.14Å; S231-T258 PolarHBondContact N-O 2.78Å; S231-T258 VanDerWaalsContact OG-C 3.28Å; S231-T258 PolarHBondContact OG-O 3.33Å; S231-T258 VanDerWaalsContact OG-O 3.12Å; I256-T258 HydrophobicContact CD1-CG2 4.42Å; I256-T258 HydrophobicContact CG1-CG2 4.43Å; I256-T258 HydrophobicContact CG2-CG2 4.27Å; T258-H264 VanDerWaalsContact CA-O 3.32Å; T258-H264 WeakPolarHBondContact CA-O 3.14Å; T258-H264 WeakPolarHBondContact CB-O 3.21Å; T258-N265 HydrophobicContact CG2-CB 4.01Å; T258-N265 WeakPolarHBondContact CG2-O 3.38Å; T258-L269 HydrophobicContact CG2-CB 4.28Å; T258-L269 HydrophobicContact CG2-CD2 4.09Å | ||
| 259 | S | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -124.5 | 107.4 | 159 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | D232 A261 L262 H263 H264 | D232-S259 WeakPolarHBondContact OD1-CB 3.3Å; D232-S259 PolarHBondContact OD1-OG 3.46Å; S259-A261 PolarHBondContact O-N 3.19Å; S259-L262 PolarHBondContact O-N 3.18Å; S259-L262 PolarHBondContact OG-N 3.12Å; S259-L262 VanDerWaalsContact OG-N 3.1Å; S259-H263 CarbonylContact O-C 3.6Å; S259-H263 WeakPolarHBondContact O-CA 3.39Å; S259-H263 PolarHBondContact O-N 3.41Å; S259-H264 PolarHBondContact N-O 3.03Å; S259-H264 PolarHBondContact O-N 3.03Å |
| 260 | A | 95.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -40 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T129 L130 T133 N229 L262 H263 | T129-A260 HydrophobicContact CG2-CB 3.79Å; L130-A260 HydrophobicContact CB-CB 4.17Å; L130-A260 HydrophobicContact CD1-CB 4.13Å; T133-A260 PolarHBondContact OG1-O 3.29Å; N229-A260 PolarHBondContact OD1-N 2.98Å; A260-L262 PolarHBondContact O-N 3.14Å; A260-H263 PolarHBondContact O-N 3.47Å |
| 261 | A | 94.2 | Very high | 96.4 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S259 | S259-A261 PolarHBondContact O-N 3.19Š|
| 262 | L | 95.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 45.3 Ų | 45.3 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 10.9 | 176 | -56.7 | -171.7 | 0 | 0 | 0 | 113.3 | D232 S259 A260 H264 | D232-L262 HydrophobicContact CB-CD1 3.5Å; D232-L262 HydrophobicContact CB-CG 3.97Å; S259-L262 PolarHBondContact O-N 3.18Å; S259-L262 PolarHBondContact OG-N 3.12Å; S259-L262 VanDerWaalsContact OG-N 3.1Å; A260-L262 PolarHBondContact O-N 3.14Å; L262-H264 PolarHBondContact O-N 3.48Å |
| 263 | H | 94.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 25.1 | -173.7 | -53.1 | -99.3 | 0 | 0 | 0 | 114.2 | T133 S259 A260 T266 | T133-H263 WeakPolarHBondContact CG2-ND1 3.49Å; S259-H263 CarbonylContact O-C 3.6Å; S259-H263 WeakPolarHBondContact O-CA 3.39Å; S259-H263 PolarHBondContact O-N 3.41Å; A260-H263 PolarHBondContact O-N 3.47Å; H263-T266 PolarHBondContact O-OG1 2.9Å |
| 264 | H | 96.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 39.8 Ų | 39.8 | 44% | 0.44 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -85.5 | 126.7 | -175.3 | -177.1 | 54.8 | 0 | 0 | 0 | 111.3 | T258 S259 L262 T266 | T258-H264 VanDerWaalsContact CA-O 3.32Å; T258-H264 WeakPolarHBondContact CA-O 3.14Å; T258-H264 WeakPolarHBondContact CB-O 3.21Å; S259-H264 PolarHBondContact N-O 3.03Å; S259-H264 PolarHBondContact O-N 3.03Å; L262-H264 PolarHBondContact O-N 3.48Å; H264-T266 PolarHBondContact O-N 3.05Å; H264-T266 VanDerWaalsContact O-N 3.1Å |
| 265 | N | 97.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 12.8 | -178.2 | -59.6 | -22 | 0 | 0 | 0 | 114.8 | I256 E257 T258 E268 L269 | I256-N265 HydrophobicContact CD1-CB 3.82Å; I256-N265 HydrophobicContact CG1-CB 4.15Å; E257-N265 WeakPolarHBondContact O-CB 3.35Å; E257-N265 PolarHBondContact O-ND2 2.78Å; T258-N265 HydrophobicContact CG2-CB 4.01Å; T258-N265 WeakPolarHBondContact CG2-O 3.38Å; N265-E268 VanDerWaalsContact C-OE2 3.31Å; N265-E268 WeakPolarHBondContact CA-OE2 3.28Å; N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 3.48Å; N265-L269 VanDerWaalsContact O-N 3.1Å |
| 266 | T | 95.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.9 | -42.9 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | L130 T133 H263 H264 L269 F270 | L130-T266 HydrophobicContact CD1-CG2 3.78Å; T133-T266 HydrophobicContact CG2-CG2 3.99Å; H263-T266 PolarHBondContact O-OG1 2.9Å; H264-T266 PolarHBondContact O-N 3.05Å; H264-T266 VanDerWaalsContact O-N 3.1Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 2.95Å; T266-F270 WeakPolarHBondContact O-CD2 3.47Å; T266-F270 PolarHBondContact O-N 3.09Å |
| 267 | R | 94.3 | Very high | 96.1 | Very high | 159 Ų | 159 | 36.8 Ų | 36.8 | 60% | 0.6 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -60.2 | -50.5 | 174.9 | 177.6 | 179.7 | 173.1 | 167.2 | 1.1 | 110.9 | L269 F270 E271 | R267-L269 PolarHBondContact O-N 3.26Å; R267-F270 PolarHBondContact O-N 3.4Å; R267-E271 HydrophobicContact CG-CG 4.3Å; R267-E271 IonicContact CZ-OE1 3.14Å; R267-E271 VanDerWaalsContact CZ-OE1 3.24Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.49Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.07Å; R267-E271 WeakPolarHBondContact O-CG 3.31Å; R267-E271 PolarHBondContact O-N 2.8Å |
| 268 | E | 96.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.9 | -32.7 | -179.8 | -65.6 | 78.4 | -179.7 | 0 | 0 | 112 | I256 N265 G272 | I256-E268 HydrophobicContact CD1-CB 4.05Å; N265-E268 VanDerWaalsContact C-OE2 3.31Å; N265-E268 WeakPolarHBondContact CA-OE2 3.28Å; E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.22Å; E268-G272 PolarHBondContact O-N 2.74Å |
| 269 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.1 | -43.8 | 172.3 | 168.4 | 64.5 | 0 | 0 | 0 | 112.9 | L130 L192 I225 V227 I256 T258 N265 T266 R267 G272 A273 | L130-L269 HydrophobicContact CD1-CD2 4.19Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; L130-L269 HydrophobicContact CG-CD2 4.36Å; L192-L269 HydrophobicContact CD1-CD1 3.98Å; L192-L269 HydrophobicContact CD1-CD2 4.06Å; L192-L269 HydrophobicContact CD1-CG 3.96Å; L192-L269 HydrophobicContact CD2-CD1 3.87Å; L192-L269 HydrophobicContact CG-CD1 4.46Å; I225-L269 HydrophobicContact CD1-CD1 4.49Å; I225-L269 HydrophobicContact CG2-CD1 4.02Å; V227-L269 HydrophobicContact CG1-CD2 3.81Å; V227-L269 HydrophobicContact CG2-CD1 3.52Å; V227-L269 HydrophobicContact CG2-CD2 3.96Å; V227-L269 HydrophobicContact CG2-CG 4.43Å; I256-L269 HydrophobicContact CD1-CB 4.13Å; I256-L269 HydrophobicContact CG2-CB 4.27Å; I256-L269 HydrophobicContact CG2-CD1 3.67Å; I256-L269 HydrophobicContact CG2-CG 4.46Å; T258-L269 HydrophobicContact CG2-CB 4.28Å; T258-L269 HydrophobicContact CG2-CD2 4.09Å; N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 3.48Å; N265-L269 VanDerWaalsContact O-N 3.1Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 2.95Å; R267-L269 PolarHBondContact O-N 3.26Å; L269-G272 CarbonylContact O-C 3.48Å; L269-G272 VanDerWaalsContact O-CA 3.28Å; L269-G272 WeakPolarHBondContact O-CA 3.5Å; L269-G272 PolarHBondContact O-N 2.89Å; L269-A273 PolarHBondContact O-N 2.92Å |
| 270 | F | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79 | -37.6 | -177.1 | -69.2 | -69.2 | 0 | 0 | 0 | 112.6 | L130 F134 L165 V167 L192 T266 R267 G272 A273 V274 | L130-F270 HydrophobicContact CD1-CE2 4.44Å; L130-F270 HydrophobicContact CG-CE2 4.37Å; L130-F270 HydrophobicContact CG-CZ 4.15Å; F134-F270 HydrophobicContact CB-CD2 4.05Å; F134-F270 HydrophobicContact CB-CE1 4.41Å; F134-F270 HydrophobicContact CB-CE2 3.54Å; F134-F270 HydrophobicContact CB-CZ 3.73Å; F134-F270 HydrophobicContact CD2-CB 4.03Å; F134-F270 AromaticContact CD2-CD1 3.97Å; F134-F270 HydrophobicContact CD2-CD1 3.97Å; F134-F270 AromaticContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CE1 4.3Å; F134-F270 AromaticContact CD2-CE2 3.78Å; F134-F270 HydrophobicContact CD2-CE2 3.78Å; F134-F270 AromaticContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CG 3.49Å; F134-F270 VanDerWaalsContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CZ 4.22Å; F134-F270 HydrophobicContact CE2-CB 3.94Å; F134-F270 HydrophobicContact CE2-CD1 4.24Å; F134-F270 HydrophobicContact CE2-CD2 4.15Å; F134-F270 AromaticContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CG-CD1 4.35Å; F134-F270 AromaticContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CE1 4.24Å; F134-F270 AromaticContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CG 4.24Å; F134-F270 HydrophobicContact CG-CZ 4.03Å; L165-F270 HydrophobicContact CD1-CB 4Å; V167-F270 HydrophobicContact CG1-CE1 4.19Å; V167-F270 HydrophobicContact CG2-CD1 3.97Å; V167-F270 HydrophobicContact CG2-CE1 3.59Å; V167-F270 HydrophobicContact CG2-CZ 4.44Å; L192-F270 HydrophobicContact CD1-CD1 4.22Å; L192-F270 HydrophobicContact CD1-CE1 3.78Å; L192-F270 HydrophobicContact CD1-CZ 4.44Å; T266-F270 WeakPolarHBondContact O-CD2 3.47Å; T266-F270 PolarHBondContact O-N 3.09Å; R267-F270 PolarHBondContact O-N 3.4Å; F270-G272 PolarHBondContact O-N 3.04Å; F270-A273 PolarHBondContact O-N 2.98Å; F270-V274 PolarHBondContact O-N 3.24Å |
| 271 | E | 96.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 164.7 | -57.2 | -167.1 | -175.1 | 0 | 0 | 109.9 | I156 V158 R267 A273 V274 R275 | I156-E271 HydrophobicContact CD1-CG 4.16Å; V158-E271 HydrophobicContact CG1-CB 4.24Å; V158-E271 HydrophobicContact CG2-CB 4.24Å; V158-E271 HydrophobicContact CG2-CG 4.07Å; R267-E271 HydrophobicContact CG-CG 4.3Å; R267-E271 IonicContact CZ-OE1 3.14Å; R267-E271 VanDerWaalsContact CZ-OE1 3.24Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.49Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.07Å; R267-E271 WeakPolarHBondContact O-CG 3.31Å; R267-E271 PolarHBondContact O-N 2.8Å; E271-A273 PolarHBondContact O-N 2.57Å; E271-V274 WeakPolarHBondContact O-CB 3.46Å; E271-V274 PolarHBondContact O-N 2.9Å; E271-R275 VanDerWaalsContact CB-NH1 3.28Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 IonicContact OE2-CZ 3.66Å; E271-R275 IonicContact OE2-NH1 3.91Å; E271-R275 PolarHBondContact OE2-NH1 3.38Å; E271-R275 IonicContact OE2-NH2 3.03Å; E271-R275 PolarHBondContact OE2-NH2 3Å |
| 272 | G | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -37.4 | -57.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E268 L269 F270 Q276 L340 | E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.22Å; E268-G272 PolarHBondContact O-N 2.74Å; L269-G272 CarbonylContact O-C 3.48Å; L269-G272 VanDerWaalsContact O-CA 3.28Å; L269-G272 WeakPolarHBondContact O-CA 3.5Å; L269-G272 PolarHBondContact O-N 2.89Å; F270-G272 PolarHBondContact O-N 3.04Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.42Å; G272-Q276 PolarHBondContact O-N 3.12Å; G272-Q276 VanDerWaalsContact O-N 3.12Å; G272-L340 WeakPolarHBondContact CA-OXT 3.41Å; G272-L340 PolarHBondContact N-OXT 2.81Å |
| 273 | A | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V117 A190 L192 L269 F270 E271 Q276 I277 | V117-A273 HydrophobicContact CG2-CB 4.02Å; A190-A273 HydrophobicContact CB-CB 4.34Å; L192-A273 HydrophobicContact CD2-CB 4.37Å; L269-A273 PolarHBondContact O-N 2.92Å; F270-A273 PolarHBondContact O-N 2.98Å; E271-A273 PolarHBondContact O-N 2.57Å; A273-Q276 PolarHBondContact O-N 2.99Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.44Å |
| 274 | V | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | -179 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | F115 V158 V163 L165 F270 E271 Q276 I277 R278 | F115-V274 HydrophobicContact CD2-CG1 4.17Å; F115-V274 HydrophobicContact CD2-CG2 4.13Å; F115-V274 HydrophobicContact CE2-CG1 3.95Å; V158-V274 HydrophobicContact CB-CB 4.44Å; V158-V274 HydrophobicContact CB-CG1 3.97Å; V158-V274 HydrophobicContact CG1-CB 4.2Å; V158-V274 HydrophobicContact CG1-CG1 3.93Å; V158-V274 HydrophobicContact CG2-CB 4.06Å; V158-V274 HydrophobicContact CG2-CG1 4Å; V158-V274 HydrophobicContact CG2-CG2 4.21Å; V163-V274 HydrophobicContact CG1-CG1 4.42Å; V163-V274 HydrophobicContact CG2-CG1 4.09Å; V163-V274 HydrophobicContact CG2-CG2 3.94Å; L165-V274 HydrophobicContact CD1-CG2 3.68Å; L165-V274 HydrophobicContact CD2-CG2 3.9Å; L165-V274 HydrophobicContact CG-CG2 3.78Å; F270-V274 PolarHBondContact O-N 3.24Å; E271-V274 WeakPolarHBondContact O-CB 3.46Å; E271-V274 PolarHBondContact O-N 2.9Å; V274-Q276 VanDerWaalsContact C-N 3.3Å; V274-Q276 PolarHBondContact O-N 3.14Å; V274-I277 PolarHBondContact O-N 2.8Å; V274-R278 HydrophobicContact CG1-CG 4.41Å; V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.44Å |
| 275 | R | 95.4 | Very high | 89 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.6 | -59.4 | -160.3 | -176 | 78.4 | 8.9 | 110.8 | V158 D159 E271 I277 R278 L279 L340 | V158-R275 HydrophobicContact CG1-CG 3.86Å; D159-R275 VanDerWaalsContact CG-NE 3.27Å; D159-R275 IonicContact OD1-CZ 3.45Å; D159-R275 VanDerWaalsContact OD1-CZ 3.24Å; D159-R275 IonicContact OD1-NE 3.55Å; D159-R275 PolarHBondContact OD1-NE 3Å; D159-R275 IonicContact OD1-NH2 3.36Å; D159-R275 PolarHBondContact OD1-NH2 3.22Å; D159-R275 WeakPolarHBondContact OD2-CD 3.47Å; D159-R275 IonicContact OD2-NE 3.24Å; D159-R275 PolarHBondContact OD2-NE 2.79Å; E271-R275 VanDerWaalsContact CB-NH1 3.28Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 IonicContact OE2-CZ 3.66Å; E271-R275 IonicContact OE2-NH1 3.91Å; E271-R275 PolarHBondContact OE2-NH1 3.38Å; E271-R275 IonicContact OE2-NH2 3.03Å; E271-R275 PolarHBondContact OE2-NH2 3Å; R275-I277 PolarHBondContact O-N 2.87Å; R275-R278 PolarHBondContact O-N 3.49Å; R275-L279 WeakPolarHBondContact O-CB 3.48Å; R275-L279 WeakPolarHBondContact O-CD1 3.26Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 3.02Å; R275-L340 VanDerWaalsContact CB-OXT 3.26Å; R275-L340 WeakPolarHBondContact CB-OXT 3.01Å; R275-L340 WeakPolarHBondContact CD-OXT 3.26Å; R275-L340 WeakPolarHBondContact CG-OXT 2.96Å; R275-L340 PolarHBondContact NH1-O 3.48Å; R275-L340 PolarHBondContact NH1-OXT 3.39Å; R275-L340 VanDerWaalsContact NH1-OXT 3.11Å |
| 276 | Q | 94.8 | Very high | 87.1 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 176.7 | -66.5 | -57.8 | -63 | 0 | 0 | 113.6 | P223 I225 K254 G272 A273 V274 R280 V339 | P223-Q276 HydrophobicContact CB-CB 4.01Å; I225-Q276 HydrophobicContact CD1-CG 4.33Å; K254-Q276 HydrophobicContact CG-CG 4.24Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.42Å; G272-Q276 PolarHBondContact O-N 3.12Å; G272-Q276 VanDerWaalsContact O-N 3.12Å; A273-Q276 PolarHBondContact O-N 2.99Å; V274-Q276 VanDerWaalsContact C-N 3.3Å; V274-Q276 PolarHBondContact O-N 3.14Å; Q276-R280 WeakPolarHBondContact O-CG 3.25Å; Q276-R280 PolarHBondContact O-N 2.89Å; Q276-V339 PolarHBondContact NE2-O 3.38Å |
| 277 | I | 93.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -50.8 | 174.3 | -64.1 | 158.4 | 0 | 0 | 0 | 110.5 | F115 D189 A190 P223 A273 V274 R275 L279 R280 R281 | F115-I277 HydrophobicContact CB-CD1 3.91Å; F115-I277 HydrophobicContact CD1-CB 4.31Å; F115-I277 HydrophobicContact CD1-CD1 4.02Å; F115-I277 HydrophobicContact CD1-CG2 3.57Å; F115-I277 HydrophobicContact CE1-CB 4.32Å; F115-I277 HydrophobicContact CE1-CG2 3.46Å; F115-I277 VanDerWaalsContact CE1-CG2 3.46Å; F115-I277 HydrophobicContact CG-CD1 4.02Å; F115-I277 HydrophobicContact CZ-CG2 4.37Å; D189-I277 HydrophobicContact CB-CD1 3.65Å; D189-I277 HydrophobicContact CB-CG1 3.97Å; D189-I277 HydrophobicContact CB-CG2 4.14Å; A190-I277 HydrophobicContact CB-CD1 3.8Å; A190-I277 HydrophobicContact CB-CG1 3.81Å; P223-I277 HydrophobicContact CB-CG1 4.36Å; P223-I277 HydrophobicContact CG-CB 4.5Å; P223-I277 HydrophobicContact CG-CG1 3.93Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.44Å; V274-I277 PolarHBondContact O-N 2.8Å; R275-I277 PolarHBondContact O-N 2.87Å; I277-L279 VanDerWaalsContact C-N 3.32Å; I277-L279 PolarHBondContact O-N 2.96Å; I277-R280 PolarHBondContact O-N 3.44Å; I277-R280 VanDerWaalsContact O-N 3.15Å; I277-R281 HydrophobicContact CG2-CG 4.21Å; I277-R281 PolarHBondContact O-N 3.07Å |
| 278 | R | 92.2 | Very high | 82.9 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 177.9 | -75.1 | 176.3 | 168.3 | 158.9 | -1.5 | 111.7 | F115 V158 D159 E161 V274 R275 R280 R281 G282 | F115-R278 HydrophobicContact CZ-CG 4.33Å; V158-R278 PolarHBondContact O-NH1 3.46Å; D159-R278 IonicContact OD2-NH1 3.66Å; E161-R278 IonicContact OE2-CZ 2.77Å; E161-R278 IonicContact OE2-NE 3.82Å; E161-R278 PolarHBondContact OE2-NE 3.18Å; E161-R278 IonicContact OE2-NH1 2.83Å; E161-R278 IonicContact OE2-NH2 2.84Å; E161-R278 PolarHBondContact OE2-NH2 3.02Å; V274-R278 HydrophobicContact CG1-CG 4.41Å; V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.44Å; R275-R278 PolarHBondContact O-N 3.49Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.87Å; R278-R281 PolarHBondContact O-N 3.06Å; R278-G282 PolarHBondContact O-N 3.1Å |
| 279 | L | 91.1 | Very high | 80.3 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -38 | 179.1 | -76.7 | 168.2 | 0 | 0 | 0 | 113 | R275 I277 Q283 V339 | R275-L279 WeakPolarHBondContact O-CB 3.48Å; R275-L279 WeakPolarHBondContact O-CD1 3.26Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 3.02Å; I277-L279 VanDerWaalsContact C-N 3.32Å; I277-L279 PolarHBondContact O-N 2.96Å; L279-Q283 WeakPolarHBondContact O-CG 2.99Å; L279-Q283 PolarHBondContact O-N 2.8Å; L279-Q283 PolarHBondContact O-NE2 2.77Å; L279-V339 HydrophobicContact CD1-CG1 4Å |
| 280 | R | 87.7 | Confident | 77.6 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82.9 | -40 | -179.2 | -63.3 | -175.8 | -160.8 | -145.4 | 11.1 | 112.4 | D221 L222 Q276 I277 R278 G282 Q283 S284 | D221-R280 WeakPolarHBondContact O-CD 3.18Å; D221-R280 IonicContact OD1-CZ 3.15Å; D221-R280 IonicContact OD1-NH1 2.68Å; D221-R280 PolarHBondContact OD1-NH1 3.05Å; D221-R280 VanDerWaalsContact OD2-CD 3.23Å; D221-R280 WeakPolarHBondContact OD2-CD 3.32Å; D221-R280 WeakPolarHBondContact OD2-CG 3.33Å; D221-R280 IonicContact OD2-NE 2.73Å; D221-R280 IonicContact OD2-NH1 2.86Å; L222-R280 VanDerWaalsContact O-CZ 3.24Å; L222-R280 PolarHBondContact O-NH1 3.32Å; L222-R280 PolarHBondContact O-NH2 2.85Å; Q276-R280 WeakPolarHBondContact O-CG 3.25Å; Q276-R280 PolarHBondContact O-N 2.89Å; I277-R280 PolarHBondContact O-N 3.44Å; I277-R280 VanDerWaalsContact O-N 3.15Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.87Å; R280-G282 VanDerWaalsContact C-N 3.26Å; R280-G282 PolarHBondContact O-N 3.38Å; R280-Q283 PolarHBondContact O-N 2.88Å; R280-S284 PolarHBondContact O-N 2.86Å; R280-S284 VanDerWaalsContact O-N 3.11Å; R280-S284 PolarHBondContact O-OG 3.21Å |
| 281 | R | 86.1 | Confident | 75 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -38.8 | 171.1 | -72.3 | -172.7 | 177.8 | -168 | 5.5 | 111.8 | D112 F115 D189 I277 R278 R285 | D112-R281 IonicContact OD1-CZ 3.46Å; D112-R281 IonicContact OD1-NH1 3.77Å; D112-R281 PolarHBondContact OD1-NH1 3.36Å; F115-R281 VanDerWaalsContact CE1-CZ 3.48Å; D189-R281 IonicContact OD1-CZ 3.91Å; D189-R281 IonicContact OD1-NE 2.67Å; D189-R281 IonicContact OD1-NH2 2.84Å; D189-R281 PolarHBondContact OD1-NH2 2.83Å; D189-R281 IonicContact OD2-NH2 3.73Å; I277-R281 HydrophobicContact CG2-CG 4.21Å; I277-R281 PolarHBondContact O-N 3.07Å; R278-R281 PolarHBondContact O-N 3.06Å; R281-R285 PolarHBondContact O-N 3.34Å |
| 282 | G | 77.4 | Confident | 72.5 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R278 R280 R285 A286 | R278-G282 PolarHBondContact O-N 3.1Å; R280-G282 VanDerWaalsContact C-N 3.26Å; R280-G282 PolarHBondContact O-N 3.38Å; G282-R285 PolarHBondContact O-N 2.66Å; G282-A286 PolarHBondContact O-N 2.75Å |
| 283 | Q | 67 | Low | 70.1 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 178.1 | -76.7 | 169.8 | 85.1 | 0 | 0 | 112.5 | L279 R280 R285 A286 G287 | L279-Q283 WeakPolarHBondContact O-CG 2.99Å; L279-Q283 PolarHBondContact O-N 2.8Å; L279-Q283 PolarHBondContact O-NE2 2.77Å; R280-Q283 PolarHBondContact O-N 2.88Å; Q283-R285 VanDerWaalsContact C-N 3.25Å; Q283-R285 PolarHBondContact O-N 3.12Å; Q283-A286 PolarHBondContact O-N 3.19Å; Q283-A286 VanDerWaalsContact O-N 3.15Å; Q283-G287 PolarHBondContact O-N 2.83Å |
| 284 | S | 60.9 | Low | 67.3 | Low | 92 Ų | 92 | 84.4 Ų | 84.4 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -32.7 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | R280 | R280-S284 PolarHBondContact O-N 2.86Å; R280-S284 VanDerWaalsContact O-N 3.11Å; R280-S284 PolarHBondContact O-OG 3.21Å |
| 285 | R | 58.6 | Low | 64.8 | Low | 163 Ų | 163 | 89.9 Ų | 89.9 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.5 | -38 | 174.8 | -76.5 | 176.9 | 160.5 | 152.7 | -2.7 | 112.3 | D112 R281 G282 Q283 | D112-R285 IonicContact OD2-NH1 3.25Å; D112-R285 PolarHBondContact OD2-NH1 3.01Å; R281-R285 PolarHBondContact O-N 3.34Å; G282-R285 PolarHBondContact O-N 2.66Å; Q283-R285 VanDerWaalsContact C-N 3.25Å; Q283-R285 PolarHBondContact O-N 3.12Å |
| 286 | A | 57.7 | Low | 62.8 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 69% | 0.694 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.5 | -25.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G282 Q283 | G282-A286 PolarHBondContact O-N 2.75Å; Q283-A286 PolarHBondContact O-N 3.19Å; Q283-A286 VanDerWaalsContact O-N 3.15Å |
| 287 | G | 53.3 | Low | 60.4 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 71% | 0.711 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -11.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q283 | Q283-G287 PolarHBondContact O-N 2.83Š|
| 288 | G | 48.5 | Very low | 57.9 | Low | 64 Ų | 64 | 105.6 Ų | 105.6 | 66% | 0.66 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -86.5 | -15.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R290 | G288-R290 PolarHBondContact O-N 2.85Š|
| 289 | Q | 43 | Very low | 55.7 | Low | 183 Ų | 183 | 109.6 Ų | 109.6 | 86% | 0.855 | 66% | 0.657 | S | S | * | * | trans | -100.4 | 77.7 | -179.6 | -72.6 | -176.9 | 0.7 | 0 | 0 | 111.6 | P291 | Q289-P291 WeakPolarHBondContact O-CD 3.26Š| ||
| 290 | R | 41.1 | Very low | 53.4 | Low | 203 Ų | 203 | 110.3 Ų | 110.3 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -77.4 | 118.9 | 155.2 | 177.1 | 176.1 | 171.6 | 172.2 | -6 | 107.1 | G288 E292 | G288-R290 PolarHBondContact O-N 2.85Å; R290-E292 PolarHBondContact O-N 2.85Å; R290-E292 VanDerWaalsContact O-N 3.15Å | ||
| 291 | P | 42.5 | Very low | 51.7 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -67.5 | 115.6 | 174 | 26.4 | -32 | 0 | 0 | 0 | 109.1 | Q289 | Q289-P291 WeakPolarHBondContact O-CD 3.26Š| ||
| 292 | E | 43.9 | Very low | 49.9 | Very low | 152 Ų | 152 | 116.4 Ų | 116.4 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | trans | -64.2 | 130.1 | 169.3 | -78.1 | -61.8 | 122.1 | 0 | 0 | 109.6 | R290 G294 | R290-E292 PolarHBondContact O-N 2.85Å; R290-E292 VanDerWaalsContact O-N 3.15Å; E292-G294 VanDerWaalsContact C-N 3.29Å; E292-G294 PolarHBondContact O-N 2.84Å | ||
| 293 | P | 45 | Very low | 48.4 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -77.9 | 79.2 | 178 | 32.3 | -33.9 | 0 | 0 | 0 | 110.5 | S295 | P293-S295 PolarHBondContact O-N 3.45Š| ||
| 294 | G | 38.9 | Very low | 47.4 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 114.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E292 | E292-G294 VanDerWaalsContact C-N 3.29Å; E292-G294 PolarHBondContact O-N 2.84Å | ||
| 295 | S | 43.4 | Very low | 47 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -77.2 | 146 | 157.4 | -57.3 | 0 | 0 | 0 | 0 | 108.4 | P293 | P293-S295 PolarHBondContact O-N 3.45Š| ||
| 296 | P | 52.4 | Low | 46.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -142.3 | 169 | 68.7 | 34.9 | -15.2 | 0 | 0 | 0 | 116.9 | |||||
| 297 | E | 44.4 | Very low | 46 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | 21.5 | 114.2 | 157.5 | -63 | -177 | 114.4 | 0 | 0 | 120.9 | ||||
| 298 | G | 41.1 | Very low | 46.1 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -179.8 | 138.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 299 | P | 45.1 | Very low | 46.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 141.4 | -173.5 | 28.9 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 300 | A | 44.1 | Very low | 47.3 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 140 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 301 | P | 50.8 | Low | 47.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 158.7 | 166.1 | 33.7 | -33.8 | 0 | 0 | 0 | 111.8 | ||
| 302 | P | 49.3 | Very low | 48.5 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 148.3 | -169.4 | 27.2 | -35.3 | 0 | 0 | 0 | 114.4 | R304 | P302-R304 PolarHBondContact O-N 2.84Š|
| 303 | A | 45.5 | Very low | 49.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | -60.1 | 115.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 304 | R | 45.7 | Very low | 49.9 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 121.3 | 173.2 | -156.6 | 173.2 | -171.6 | 175 | 2.3 | 109.6 | P302 E306 | P302-R304 PolarHBondContact O-N 2.84Å; R304-E306 PolarHBondContact O-N 3.23Å | ||
| 305 | R | 53.1 | Low | 50.7 | Low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | trans | -43.2 | 124.3 | -176.7 | -73.5 | 173.1 | 160.6 | -177.3 | -7 | 113.3 | ||||
| 306 | E | 44.6 | Very low | 51.5 | Low | 144 Ų | 144 | 140.4 Ų | 140.4 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | trans | -67 | 137 | 166.2 | -70.9 | -153.1 | 115.6 | 0 | 0 | 110.9 | R304 K310 | R304-E306 PolarHBondContact O-N 3.23Å; E306-K310 IonicContact OE1-NZ 2.72Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å | ||
| 307 | S | 51.3 | Low | 51.5 | Low | 80 Ų | 80 | 138.4 Ų | 138.4 | 56% | 0.559 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 145.4 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | T309 K310 | S307-T309 PolarHBondContact O-N 3.16Å; S307-K310 PolarHBondContact O-N 3.49Å | ||
| 308 | L | 53.8 | Low | 51.9 | Low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -9.9 | -170 | -72.5 | 160.6 | 0 | 0 | 0 | 115.3 | ||
| 309 | T | 62 | Low | 52.5 | Low | 104 Ų | 104 | 138.2 Ų | 138.2 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -76.8 | -28.7 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | S307 | S307-T309 PolarHBondContact O-N 3.16Å |
| 310 | K | 55.2 | Low | 52.7 | Low | 128 Ų | 128 | 137.5 Ų | 137.5 | 56% | 0.557 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -74.3 | -37.4 | 177.2 | -77.4 | -175.8 | -176.4 | 175 | 0 | 113 | E306 S307 K313 R314 | E306-K310 IonicContact OE1-NZ 2.72Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å; S307-K310 PolarHBondContact O-N 3.49Å; K310-K313 PolarHBondContact O-N 3.33Å; K310-R314 PolarHBondContact O-N 3.5Å |
| 311 | K | 53 | Low | 52.5 | Low | 175 Ų | 175 | 138.3 Ų | 138.3 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -67.7 | -40.5 | -176.9 | -147.9 | 170.8 | -174.1 | 177.8 | 0 | 111.3 | K313 R314 F315 | K311-K313 VanDerWaalsContact C-N 3.33Å; K311-K313 PolarHBondContact O-N 3.46Å; K311-R314 PolarHBondContact O-N 3.05Å; K311-F315 PolarHBondContact O-N 3.16Å |
| 312 | A | 55.3 | Low | 52.5 | Low | 51 Ų | 51 | 144.2 Ų | 144.2 | 42% | 0.421 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -59.5 | -39.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R314 F315 L316 | A312-R314 PolarHBondContact O-N 2.55Å; A312-F315 PolarHBondContact O-N 2.86Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.46Å |
| 313 | K | 57.9 | Low | 51.9 | Low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -67.8 | -31.3 | -177.6 | -146.8 | 173.3 | -172 | 179 | 0 | 113.4 | K310 K311 | K310-K313 PolarHBondContact O-N 3.33Å; K311-K313 VanDerWaalsContact C-N 3.33Å; K311-K313 PolarHBondContact O-N 3.46Å |
| 314 | R | 60.2 | Low | 51.4 | Low | 210 Ų | 210 | 145.2 Ų | 145.2 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76.5 | -33.8 | 170.3 | -78 | -176.1 | 173.7 | 165.7 | -1.5 | 112.8 | K310 K311 A312 A317 | K310-R314 PolarHBondContact O-N 3.5Å; K311-R314 PolarHBondContact O-N 3.05Å; A312-R314 PolarHBondContact O-N 2.55Å; R314-A317 PolarHBondContact O-N 3.06Å |
| 315 | F | 55.8 | Low | 50.9 | Low | 150 Ų | 150 | 143.1 Ų | 143.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -68.7 | -41.4 | 179 | -155 | -96.3 | 0 | 0 | 0 | 112.2 | K311 A312 A317 N318 L319 | K311-F315 PolarHBondContact O-N 3.16Å; A312-F315 PolarHBondContact O-N 2.86Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 2.9Å; F315-N318 PolarHBondContact O-N 2.8Å; F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 4.01Å |
| 316 | L | 60 | Low | 50.6 | Low | 121 Ų | 121 | 140.8 Ų | 140.8 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -67.8 | -22.6 | 176.5 | -68.8 | 173.1 | 0 | 0 | 0 | 113.9 | A312 N318 | A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.46Å; L316-N318 PolarHBondContact O-N 2.95Å |
| 317 | A | 54.2 | Low | 50.3 | Low | 73 Ų | 73 | 144 Ų | 144 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R314 F315 | R314-A317 PolarHBondContact O-N 3.06Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 2.9Å |
| 318 | N | 52.3 | Low | 49.8 | Very low | 146 Ų | 146 | 150 Ų | 150 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 5 | -176.6 | -70.3 | 1.8 | 0 | 0 | 0 | 113.7 | F315 L316 | F315-N318 PolarHBondContact O-N 2.8Å; L316-N318 PolarHBondContact O-N 2.95Å |
| 319 | L | 53.6 | Low | 48.9 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | trans | -116 | 19.3 | -169.6 | -98.4 | 165 | 0 | 0 | 0 | 114.9 | F315 | F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 4.01Å | ||
| 320 | V | 49.6 | Very low | 47.6 | Very low | 122 Ų | 122 | 157.8 Ų | 157.8 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | -108.8 | 109.8 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 321 | P | 40 | Very low | 46.8 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -67.6 | 142 | 172.8 | -17.5 | 31.2 | 0 | 0 | 0 | 111.9 | N323 | P321-N323 PolarHBondContact O-N 2.84Å; P321-N323 VanDerWaalsContact O-N 3.15Å | ||
| 322 | R | 50.5 | Low | 46.3 | Very low | 238 Ų | 238 | 160.5 Ų | 160.5 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -72.9 | 101.3 | 169.5 | -77.1 | 176.4 | 166 | 159.1 | -5.9 | 110.3 | ||
| 323 | N | 36.1 | Very low | 45.5 | Very low | 160 Ų | 160 | 161.8 Ų | 161.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 158.8 | 108.4 | 136.5 | -84.1 | -19.1 | 0 | 0 | 0 | 112 | P321 | P321-N323 PolarHBondContact O-N 2.84Å; P321-N323 VanDerWaalsContact O-N 3.15Å | ||
| 324 | A | 34.4 | Very low | 44.8 | Very low | 96 Ų | 96 | 159.4 Ų | 159.4 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | 177.1 | 127.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 325 | K | 35.7 | Very low | 44 | Very low | 203 Ų | 203 | 157.6 Ų | 157.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 27.5 | 107.4 | 143.8 | -59.1 | 179.5 | -178 | 178.4 | 0 | 119.2 | ||||
| 326 | F | 46.4 | Very low | 43.1 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | 25.7 | 98.8 | 133.4 | -106.2 | -95.5 | 0 | 0 | 0 | 118.3 | ||||
| 327 | F | 39.8 | Very low | 42.6 | Very low | 211 Ų | 211 | 155.8 Ų | 155.8 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -157.2 | 76.1 | 142.4 | -102.4 | -71.1 | 0 | 0 | 0 | 109.5 | Q329 | F327-Q329 PolarHBondContact O-N 2.74Š| ||
| 328 | K | 39.2 | Very low | 42 | Very low | 206 Ų | 206 | 156.3 Ų | 156.3 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -88.1 | 94.2 | 175.1 | -155.8 | 170.5 | -173.3 | 179.3 | 0 | 110.1 | R330 | K328-R330 PolarHBondContact O-N 3.25Š| ||
| 329 | Q | 36 | Very low | 41.4 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -18.7 | 108.2 | 166.2 | -171.6 | 172.1 | -17 | 0 | 0 | 114 | F327 S331 | F327-Q329 PolarHBondContact O-N 2.74Å; Q329-S331 PolarHBondContact O-N 3.5Å | ||
| 330 | R | 34.4 | Very low | 40.8 | Very low | 241 Ų | 241 | 147.2 Ų | 147.2 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 124.4 | 174 | -95.3 | 175.8 | 158 | 171.5 | -8.5 | 110.1 | K328 R332 | K328-R330 PolarHBondContact O-N 3.25Å; R330-R332 PolarHBondContact O-N 2.81Å |
| 331 | S | 38.1 | Very low | 40.4 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 116 | 164.7 | -57.2 | 0 | 0 | 0 | 0 | 110 | Q329 | Q329-S331 PolarHBondContact O-N 3.5Š|
| 332 | R | 42.3 | Very low | 40.4 | Very low | 246 Ų | 246 | 150.4 Ų | 150.4 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.1 | 151.1 | -60.3 | 176.4 | 174.3 | -176.4 | -3.9 | 105.7 | R330 | R330-R332 PolarHBondContact O-N 2.81Š|
| 333 | S | 38.3 | Very low | 39.9 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | cis | -139.1 | 135.8 | 33.3 | 178 | 0 | 0 | 0 | 0 | 112.5 | H335 D336 | S333-H335 PolarHBondContact OG-N 2.66Å; S333-D336 PolarHBondContact OG-N 2.69Å | ||
| 334 | C | 42.8 | Very low | 40.1 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -105.1 | 19.2 | 162.4 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 335 | H | 44.6 | Very low | 40.4 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | -114.5 | -3.7 | -172.8 | -84.9 | 64.4 | 0 | 0 | 0 | 113.5 | S333 L337 | S333-H335 PolarHBondContact OG-N 2.66Å; H335-L337 PolarHBondContact O-N 3.05Å | ||
| 336 | D | 37.2 | Very low | 40.8 | Very low | 94 Ų | 94 | 144 Ų | 144 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | trans | -91.7 | 88.9 | -176.5 | -147.8 | -18.3 | 0 | 0 | 0 | 111.4 | S333 S338 V339 | S333-D336 PolarHBondContact OG-N 2.69Å; D336-S338 VanDerWaalsContact CG-OG 3.28Å; D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 2.96Å; D336-S338 PolarHBondContact OD1-N 3.4Å; D336-S338 PolarHBondContact OD1-OG 3.45Å; D336-V339 HydrophobicContact CB-CG2 4.45Å | ||
| 337 | L | 48.9 | Very low | 40.4 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 72% | 0.723 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -72.5 | -4.6 | 172.7 | -67.1 | 173.6 | 0 | 0 | 0 | 112.5 | H335 V339 L340 | H335-L337 PolarHBondContact O-N 3.05Å; L337-V339 PolarHBondContact O-N 3.41Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 PolarHBondContact O-N 3.44Å |
| 338 | S | 40.9 | Very low | 40.4 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -73.5 | -3 | 172 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | D336 | D336-S338 VanDerWaalsContact CG-OG 3.28Å; D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 2.96Å; D336-S338 PolarHBondContact OD1-N 3.4Å; D336-S338 PolarHBondContact OD1-OG 3.45Å |
| 339 | V | 39.5 | Very low | 40.5 | Very low | 50 Ų | 50 | 128.7 Ų | 128.7 | 30% | 0.303 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -118.8 | 15.4 | 179.6 | -156.4 | 0 | 0 | 0 | 0 | 112 | Q276 L279 D336 L337 | Q276-V339 PolarHBondContact NE2-O 3.38Å; L279-V339 HydrophobicContact CD1-CG1 4Å; D336-V339 HydrophobicContact CB-CG2 4.45Å; L337-V339 PolarHBondContact O-N 3.41Å |
| 340 | L | 42.8 | Very low | 40.9 | Very low | 19 Ų | 19 | 123.6 Ų | 123.6 | 10% | 0.099 | 64% | 0.639 | C | S | . | * | trans | -89.4 | 0 | 143.2 | -64.7 | 176.1 | 0 | 0 | 0 | 104.7 | K254 I256 G272 R275 L337 | K254-L340 HydrophobicContact CB-CD2 4.16Å; I256-L340 HydrophobicContact CB-CD1 4.14Å; I256-L340 HydrophobicContact CD1-CD1 3.91Å; I256-L340 HydrophobicContact CG1-CD1 4.08Å; G272-L340 WeakPolarHBondContact CA-OXT 3.41Å; G272-L340 PolarHBondContact N-OXT 2.81Å; R275-L340 VanDerWaalsContact CB-OXT 3.26Å; R275-L340 WeakPolarHBondContact CB-OXT 3.01Å; R275-L340 WeakPolarHBondContact CD-OXT 3.26Å; R275-L340 WeakPolarHBondContact CG-OXT 2.96Å; R275-L340 PolarHBondContact NH1-O 3.48Å; R275-L340 PolarHBondContact NH1-OXT 3.39Å; R275-L340 VanDerWaalsContact NH1-OXT 3.11Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 PolarHBondContact O-N 3.44Å |
Retrieved 340 of 340 residues in 300.5 ms
(Link to these results)