| 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 | 43.2 | Very low | 33.1 | Very low | 233 Ų | 233 | 184.6 Ų | 184.6 | 100% | 1.148 | 86% | 0.855 | S | S | * | * | 0 | 128.2 | 0 | -70.9 | 175.1 | 179.3 | 0 | 0 | 108.1 | |||||
| 2 | F | 29.3 | Very low | 33 | Very low | 194 Ų | 194 | 183.3 Ų | 183.3 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | trans | 171.7 | 98.1 | 135.5 | -96.1 | -64.7 | 0 | 0 | 0 | 106.6 | ||||
| 3 | N | 31.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 177.1 Ų | 177.1 | 78% | 0.781 | 84% | 0.839 | S | S | * | * | trans | -70.2 | 140.3 | 170.2 | -69.8 | -12.5 | 0 | 0 | 0 | 108.4 | ||||
| 4 | Y | 30.5 | Very low | 32.5 | Very low | 225 Ų | 225 | 178.4 Ų | 178.4 | 88% | 0.882 | 84% | 0.844 | S | S | * | * | trans | -132.1 | 114.4 | 152.4 | -100.7 | -82.1 | 0 | 0 | 0 | 109.2 | ||||
| 5 | E | 31.5 | Very low | 32.5 | Very low | 176 Ų | 176 | 176.9 Ų | 176.9 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -79.5 | 159.5 | 178.1 | -66.9 | 179.3 | 120.1 | 0 | 0 | 111.3 | ||||
| 6 | R | 36.7 | Very low | 33.4 | Very low | 225 Ų | 225 | 172.4 Ų | 172.4 | 85% | 0.849 | 83% | 0.833 | S | S | * | * | trans | -69.4 | 147.3 | 171.5 | -67.7 | 174.4 | 174.4 | 164.5 | -2 | 111 | ||||
| 7 | P | 34.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 170.2 Ų | 170.2 | 84% | 0.844 | 84% | 0.838 | S | S | * | * | trans | -98.7 | 112 | 146.1 | 20 | -3.4 | 0 | 0 | 0 | 110.3 | ||||
| 8 | K | 34.2 | Very low | 33 | Very low | 175 Ų | 175 | 165.2 Ų | 165.2 | 76% | 0.761 | 84% | 0.838 | S | S | * | * | trans | -116.4 | 130.2 | 142.8 | -78.2 | -170 | 175.6 | -170.3 | 0 | 105.5 | ||||
| 9 | H | 33.4 | Very low | 32.9 | Very low | 191 Ų | 191 | 162.7 Ų | 162.7 | 88% | 0.884 | 84% | 0.837 | S | S | * | * | trans | -172.9 | 143.5 | 140.9 | -99.3 | -64.9 | 0 | 0 | 0 | 110.7 | ||||
| 10 | F | 27.4 | Very low | 32.7 | Very low | 194 Ų | 194 | 166.5 Ų | 166.5 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -138.5 | 168.4 | 157.6 | -144.1 | -91.7 | 0 | 0 | 0 | 107.4 | ||||
| 11 | I | 32.2 | Very low | 32.8 | Very low | 142 Ų | 142 | 166.5 Ų | 166.5 | 73% | 0.728 | 84% | 0.842 | S | S | * | * | trans | 86.8 | 86.5 | -178.9 | -49 | -178.1 | 0 | 0 | 0 | 115.4 | ||||
| 12 | Q | 31.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 164 Ų | 164 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | 47.9 | 103.7 | 123.2 | -72.8 | 172.9 | -37.2 | 0 | 0 | 121.3 | |||||
| 13 | S | 30.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 160.1 Ų | 160.1 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | 34.5 | 115.9 | 121.5 | 63.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 14 | Q | 28.4 | Very low | 34.5 | Very low | 195 Ų | 195 | 159.1 Ų | 159.1 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | -135.4 | 149 | 128.8 | -75.5 | -153 | -4.4 | 0 | 0 | 110.6 | |||||
| 15 | N | 33 | Very low | 34.5 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -119.6 | 164.9 | 175.3 | -109.5 | -7.1 | 0 | 0 | 0 | 109.6 | ||||
| 16 | P | 46.9 | Very low | 36 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -112.6 | 175.2 | -133.9 | 41.4 | -38.8 | 0 | 0 | 0 | 116.8 | ||||
| 17 | C | 28.3 | Very low | 35.6 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 92% | 0.919 | 81% | 0.812 | S | S | * | * | trans | 62.9 | 116.4 | 154 | -79.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 18 | G | 30.2 | Very low | 35.3 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -153.1 | 126.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 19 | S | 31.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 138.3 | -172.5 | 51 | 0 | 0 | 0 | 0 | 114 | ||||
| 20 | R | 29.8 | Very low | 34.9 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 29 | 114.7 | 141.7 | -167.9 | -172.9 | -150.8 | -143.5 | 6.1 | 118.2 | ||||
| 21 | L | 33.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | -166.8 | 170.6 | 126.1 | -102.2 | 164.8 | 0 | 0 | 0 | 111.6 | |||||
| 22 | Q | 35.9 | Very low | 34.6 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -86.4 | 167.6 | -162.4 | -100.3 | 177.3 | -31.5 | 0 | 0 | 115.5 | ||||
| 23 | P | 59.5 | Low | 34.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -87.2 | 173.9 | -171.5 | 38.9 | -38.3 | 0 | 0 | 0 | 113.1 | ||||
| 24 | P | 45.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -149 | 166.3 | 103.6 | 39.8 | -25.5 | 0 | 0 | 0 | 116 | |||||
| 25 | G | 30.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | 97.6 | 138.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 26 | P | 62.3 | Low | 34.3 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -95.8 | 162 | 174.6 | 37.2 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 27 | E | 29 | Very low | 33.3 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | 178.5 | 151.1 | 115.4 | -99.1 | 177.5 | -165 | 0 | 0 | 115.9 | |||||
| 28 | T | 27.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -20.8 | 171.7 | 165.5 | 57 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 29 | S | 30.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 85.5 | 121.1 | 157.5 | 77.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 30 | S | 27.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | cis | 104.3 | 164.5 | 31.3 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | F | 27.3 | Very low | 33.1 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 78.5 | 114.9 | -167.4 | -64.4 | -90.4 | 0 | 0 | 0 | 114.4 | ||||
| 32 | S | 26.7 | Very low | 33 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | 100.4 | 114.5 | 16.5 | 87.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 33 | S | 30.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -160 | 119.3 | 146.2 | 41.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 34 | Q | 30 | Very low | 31.9 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | 62.9 | 129.2 | 73.8 | -77.9 | -161.5 | 6.5 | 0 | 0 | 113.6 | |||||
| 35 | T | 27.1 | Very low | 31 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | cis | -162.5 | 158 | -11.6 | -42.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | K | 29.1 | Very low | 30.8 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 102.5 | 109.3 | 155.5 | -61.3 | -179 | 179.9 | 178.4 | 0 | 115.2 | ||||
| 37 | Q | 27.9 | Very low | 28.9 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | 80.5 | 98.8 | 53.8 | -75.9 | -169 | -27.8 | 0 | 0 | 116 | |||||
| 38 | S | 31 | Very low | 29 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -157.9 | 85.7 | 138.4 | 56.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 39 | S | 27.4 | Very low | 29 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 64.2 | 94.5 | 79.2 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 40 | I | 29.6 | Very low | 28.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -149.5 | 132.2 | 132.6 | -95.2 | 151.2 | 0 | 0 | 0 | 106.5 | ||||
| 41 | T | 27.4 | Very low | 29 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -122.1 | 132.2 | 179.8 | -62.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | I | 29.6 | Very low | 29 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 121.8 | 157.9 | -58.5 | -177.4 | 0 | 0 | 0 | 107.7 | ||||
| 43 | Q | 30.1 | Very low | 29 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -110.7 | 163.6 | 168.3 | -94.6 | -140.8 | 11.7 | 0 | 0 | 109.8 | ||||
| 44 | P | 42.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 151 Ų | 151 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -97.7 | 159 | -153 | 36.8 | -36.2 | 0 | 0 | 0 | 114.8 | ||||
| 45 | R | 26.8 | Very low | 28.9 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -175.4 | 127.2 | 134.9 | -104.2 | 167.6 | -169.8 | -157.2 | 2.7 | 115.4 | ||||
| 46 | Q | 26.8 | Very low | 29 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 61.5 | 124.4 | 132.7 | -73.3 | -175.2 | -42.4 | 0 | 0 | 125.4 | ||||
| 47 | C | 23.4 | Very low | 29 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | 73.2 | 116 | 126.1 | -63.6 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 48 | T | 29.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | -165.3 | 104.4 | 116.5 | 26.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 49 | E | 29 | Very low | 29 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 46.9 | 109.2 | 100.3 | -76.1 | -148.4 | 137.1 | 0 | 0 | 117.2 | |||||
| 50 | Q | 28.5 | Very low | 29.3 | Very low | 203 Ų | 203 | 142.5 Ų | 142.5 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | -140.7 | 132.9 | 120.7 | -79 | -156 | -20.2 | 0 | 0 | 110.3 | |||||
| 51 | R | 29.3 | Very low | 29.4 | Very low | 186 Ų | 186 | 142 Ų | 142 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -90.9 | 160.9 | 172.7 | -70.9 | 175.4 | 166.3 | 135 | -6.1 | 110 | ||||
| 52 | F | 26.3 | Very low | 29.5 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | -151.9 | 145.4 | 110.9 | -99.4 | -69.7 | 0 | 0 | 0 | 110.6 | |||||
| 53 | S | 27 | Very low | 29.4 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -126.5 | 160.7 | -172.7 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 54 | A | 29.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -80.6 | -168.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 55 | S | 28.4 | Very low | 28.9 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 94.1 | 144.6 | 173.3 | 76.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 56 | S | 29.8 | Very low | 29 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | cis | -171.8 | 150.9 | -14.2 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 57 | T | 30 | Very low | 29.3 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 52.7 | 132.4 | 152.1 | 46.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 58 | V | 30.4 | Very low | 29.6 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | -173.2 | 158.2 | 99.4 | 154.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 59 | S | 27.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -82.5 | 153.2 | -171.8 | -173.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 60 | S | 33.5 | Very low | 30.6 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | 157.6 | 155.8 | 110.6 | 60.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 61 | H | 31 | Very low | 30.7 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 80.4 | 108.9 | 152.3 | -69.3 | -58.7 | 0 | 0 | 0 | 124.4 | ||||
| 62 | I | 29.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 128 Ų | 128 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | 89.8 | 122.5 | 114.1 | -75.4 | 175.7 | 0 | 0 | 0 | 122.9 | |||||
| 63 | T | 29.3 | Very low | 31 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 56.2 | 138.6 | 156.3 | 49.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 64 | M | 32.1 | Very low | 31.3 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | trans | -83.4 | 150.8 | 158.5 | -57.4 | -151.8 | 128.9 | 0 | 0 | 111.9 | ||||
| 65 | S | 28.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -153.9 | 149 | 158.8 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 66 | S | 29.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -47.4 | 152.7 | -178.8 | 52.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 67 | S | 32.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 119.4 | 132.6 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 68 | A | 30.8 | Very low | 32.6 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 87 | 112.2 | 52.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 69 | F | 32 | Very low | 32.7 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -75.8 | 158.4 | 172.2 | -74.9 | -97.7 | 0 | 0 | 0 | 112 | ||||
| 70 | P | 47.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -94.8 | 154.3 | 152.9 | 36.1 | -29.6 | 0 | 0 | 0 | 112.1 | ||||
| 71 | A | 29.9 | Very low | 33.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -144.7 | 138.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 72 | S | 31.2 | Very low | 33.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 171.3 | 145.7 | 166.6 | 32.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 73 | T | 30.8 | Very low | 33.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | cis | -161.7 | 161.4 | -23.6 | -48.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 74 | Q | 32.4 | Very low | 33.9 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | 101.6 | 148.5 | 156.7 | -57.9 | -164.4 | -5.7 | 0 | 0 | 120.5 | ||||
| 75 | Q | 32.4 | Very low | 33.8 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -116.1 | -169.4 | -157.8 | -72.1 | -173.8 | -40.6 | 0 | 0 | 110.8 | ||||
| 76 | P | 51.3 | Low | 33.8 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -129.6 | -161.2 | 1 | 46.3 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 77 | A | 30.4 | Very low | 33.7 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | cis | -154.6 | 177.1 | 4.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 78 | G | 30.8 | Very low | 33.5 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 129.9 | 98.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 79 | S | 33.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 45.2 | 112.3 | 147 | 55.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 80 | N | 31.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 175.7 | 145.9 | -104.7 | -32.8 | 0 | 0 | 0 | 110.8 | ||||
| 81 | P | 49.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -134.5 | -176.2 | 25.3 | 40.6 | -21 | 0 | 0 | 0 | 114.9 | ||||
| 82 | G | 30.1 | Very low | 32.5 | Very low | 55 Ų | 55 | 137 Ų | 137 | 57% | 0.567 | 79% | 0.787 | S | S | * | * | cis | -158.2 | 157 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | Q | 33 | Very low | 33.2 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 71.1 | 136.2 | 106 | -77.7 | -150.8 | 23.1 | 0 | 0 | 116.1 | |||||
| 84 | R | 32.3 | Very low | 33.1 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | cis | -165.4 | 125.2 | -8.1 | -168.1 | 154.7 | -175.1 | -157.5 | -0.9 | 106.3 | ||||
| 85 | V | 29.7 | Very low | 33 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | 53.8 | 132.9 | 105 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 86 | T | 28.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -158.6 | 158.9 | 39 | -18.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 87 | T | 28.3 | Very low | 31.7 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -58.1 | 151 | 154.6 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 88 | T | 28.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -148.6 | 168.1 | 136.3 | -14.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 89 | Y | 28.6 | Very low | 31.6 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 165.8 | -163.4 | -107.5 | -113.2 | 0 | 0 | 0 | 116.7 | ||||
| 90 | N | 30.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | trans | 96.3 | 130.3 | 138.7 | -97.5 | -11.5 | 0 | 0 | 0 | 122.8 | ||||
| 91 | Q | 30.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 78 | 150.4 | 149.9 | -64.6 | 179.3 | 19.3 | 0 | 0 | 120.7 | ||||
| 92 | S | 30.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -147.9 | 167.9 | -180 | 64.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 93 | P | 45 | Very low | 30.8 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | cis | -134.9 | -169.5 | 8.5 | 42 | -24.2 | 0 | 0 | 0 | 115.1 | ||||
| 94 | A | 28.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | 77.5 | 108.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 95 | S | 29.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 178 | 160.8 | 102.8 | 50.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 96 | F | 30.4 | Very low | 31.4 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 75.7 | 145.6 | 165.1 | -66.7 | -71.8 | 0 | 0 | 0 | 122.4 | ||||
| 97 | L | 27.5 | Very low | 31.5 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -115 | 148.6 | -169 | -72.5 | 157 | 0 | 0 | 0 | 110.7 | ||||
| 98 | S | 28.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -158.8 | 105.7 | 148 | 52.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 99 | S | 30.1 | Very low | 31.7 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | 69.2 | 140.3 | 103.7 | 69 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 100 | I | 31.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | cis | -147.7 | 146.1 | 37.8 | -67.3 | 164.7 | 0 | 0 | 0 | 110.6 | ||||
| 101 | L | 27.4 | Very low | 31.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -147.8 | 132.5 | 163.3 | -117.8 | 170 | 0 | 0 | 0 | 109 | ||||
| 102 | P | 35.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 158.3 | 178.8 | -14.7 | 31.6 | 0 | 0 | 0 | 115.1 | ||
| 103 | S | 31.4 | Very low | 32.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 160.8 | -162.6 | -33.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 104 | Q | 30.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 158.3 | 157.1 | -68.5 | -86.3 | -58 | 0 | 0 | 110.5 | ||
| 105 | P | 48.2 | Very low | 32 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 138.1 | 168.8 | 35.1 | -29.5 | 0 | 0 | 0 | 112.6 | ||
| 106 | D | 29 | Very low | 32.1 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 157.1 | 178.7 | -90.2 | -50.8 | 0 | 0 | 0 | 114.3 | ||
| 107 | Y | 31.2 | Very low | 32 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.9 | 170.5 | -127.8 | -103 | 0 | 0 | 0 | 111.2 | ||
| 108 | N | 29.9 | Very low | 32.2 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -158.1 | 155.4 | 148.4 | -127.8 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 109 | S | 30.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -121.1 | 145.5 | -175.9 | 82.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 110 | S | 31 | Very low | 32.3 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -172.5 | 130.6 | 142.4 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 111 | K | 32.7 | Very low | 32.4 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | 66.8 | 138.4 | 145.3 | -67.9 | 179.2 | 175.5 | 178.6 | 0 | 121.7 | ||||
| 112 | I | 34.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -96.9 | 163.4 | 171.5 | -22.4 | 177.4 | 0 | 0 | 0 | 108.7 | ||||
| 113 | P | 41 | Very low | 32.3 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | -149 | 151.3 | 84.1 | 36.8 | -17.5 | 0 | 0 | 0 | 118.2 | |||||
| 114 | S | 29.5 | Very low | 32.4 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 34.9 | 124 | 144.4 | -56.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 115 | A | 32.2 | Very low | 32.4 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | 58.5 | 125.9 | 123.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 116 | M | 31 | Very low | 31.5 | Very low | 195 Ų | 195 | 147 Ų | 147 | 96% | 0.961 | 82% | 0.818 | S | S | * | * | trans | -157.3 | 145.6 | 131.2 | -107.4 | -168.3 | -179.7 | 0 | 0 | 111.7 | ||||
| 117 | D | 27.6 | Very low | 31.5 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 159.2 | 174.4 | -63 | -68.5 | 0 | 0 | 0 | 112.9 | ||||
| 118 | S | 32 | Very low | 32.8 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | -175.9 | 144.1 | 123.9 | -82.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 119 | N | 29.5 | Very low | 32.9 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -79.1 | 160.9 | -175.1 | -65.7 | -72.4 | 0 | 0 | 0 | 114.2 | ||||
| 120 | Y | 31.6 | Very low | 32.9 | Very low | 232 Ų | 232 | 142.8 Ų | 142.8 | 91% | 0.91 | 81% | 0.806 | S | S | * | * | trans | -140.2 | 138 | 130.7 | -118.4 | -83.8 | 0 | 0 | 0 | 112.5 | ||||
| 121 | Q | 33.7 | Very low | 32.8 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -69.8 | 174.5 | 179 | -78.9 | 174.2 | -67.5 | 0 | 0 | 112.9 | ||||
| 122 | Q | 31.8 | Very low | 32.7 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | cis | 165.8 | 144 | -18.4 | 176.9 | 178.8 | -0.3 | 0 | 0 | 105.1 | ||||
| 123 | F | 29.4 | Very low | 33.1 | Very low | 207 Ų | 207 | 140 Ų | 140 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -171.7 | 101.2 | 145.6 | -101.7 | -62.3 | 0 | 0 | 0 | 114.4 | ||||
| 124 | S | 32.6 | Very low | 32.6 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 37.3 | 124.7 | 134.8 | -58.9 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 125 | A | 32.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | 99 | 132.3 | 116.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 126 | G | 29 | Very low | 32.5 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | 150.6 | 89 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 127 | Q | 27.8 | Very low | 32.5 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -123.2 | -177.5 | 176.3 | -104.6 | -155.2 | 6 | 0 | 0 | 109.2 | ||||
| 128 | P | 59.2 | Low | 32.7 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | -138.4 | 179.4 | -54 | 40.9 | -24.8 | 0 | 0 | 0 | 112.1 | |||||
| 129 | V | 31.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 137 Ų | 137 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 117.8 | 148.7 | -158.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 130 | N | 31.2 | Very low | 33 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -12.2 | 160.9 | 146 | -77.5 | -23.9 | 0 | 0 | 0 | 120.9 | ||||
| 131 | A | 29 | Very low | 33.1 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -163.6 | 168.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 132 | K | 31.2 | Very low | 33 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -60.4 | 169.6 | 163.9 | -90.5 | 173.6 | -179.5 | 175.2 | 0 | 113.6 | ||||
| 133 | P | 42.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -147.4 | -161.4 | 51.3 | 33 | -7.4 | 0 | 0 | 0 | 116.3 | |||||
| 134 | S | 29.6 | Very low | 33.4 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 57% | 0.566 | 79% | 0.793 | S | S | * | * | -178.3 | 145.4 | -63.8 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 135 | Q | 32.8 | Very low | 33.8 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 71.3 | 155.2 | 164.3 | -53.5 | 177.2 | 73.3 | 0 | 0 | 115.8 | ||||
| 136 | T | 28.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | cis | -158.7 | 157.6 | 8.7 | -13.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 137 | A | 30.7 | Very low | 34.7 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 123.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 138 | N | 32 | Very low | 35.6 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 48.8 | 110.7 | 138.4 | -73.6 | -9.3 | 0 | 0 | 0 | 123.4 | ||||
| 139 | A | 30.4 | Very low | 34.6 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | -160.7 | 143 | 127.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 140 | K | 36.7 | Very low | 35.3 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -100.8 | 128.9 | 174.1 | -178.4 | -176.3 | -175.9 | -179.4 | 0 | 109.8 | ||||
| 141 | P | 33 | Very low | 35.8 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | trans | -138.1 | 165.1 | 144.8 | 31.2 | -13.6 | 0 | 0 | 0 | 115.3 | ||||
| 142 | T | 32.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -38.3 | 156.6 | 178.8 | 36 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 143 | P | 35.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -70 | 142.3 | 174.6 | 31.4 | -35.2 | 0 | 0 | 0 | 111.9 | ||||
| 144 | R | 34.1 | Very low | 38.4 | Very low | 241 Ų | 241 | 130 Ų | 130 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -111.6 | 151.2 | 166.8 | -63.5 | -171.2 | -172.1 | -153.7 | 2.9 | 109.9 | ||||
| 145 | T | 39.8 | Very low | 40 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | -76.4 | 153.5 | -175.6 | 46 | 0 | 0 | 0 | 0 | 113 | D147 | T145-D147 VanDerWaalsContact C-N 3.32Å; T145-D147 PolarHBondContact O-N 3.23Å | ||
| 146 | P | 39.9 | Very low | 41.4 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -88.6 | 26 | -171 | 37.8 | -37.8 | 0 | 0 | 0 | 115 | ||
| 147 | D | 41 | Very low | 43 | Very low | 107 Ų | 107 | 124 Ų | 124 | 57% | 0.572 | 69% | 0.688 | S | S | * | * | trans | -91.2 | -9.5 | -166.3 | -62.8 | -54.3 | 0 | 0 | 0 | 115.5 | T145 | T145-D147 VanDerWaalsContact C-N 3.32Å; T145-D147 PolarHBondContact O-N 3.23Å | ||
| 148 | H | 45.8 | Very low | 44.9 | Very low | 172 Ų | 172 | 123.5 Ų | 123.5 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -95.7 | -11.8 | -173.2 | -89.2 | -68.6 | 0 | 0 | 0 | 116.4 | ||
| 149 | E | 39.3 | Very low | 46.3 | Very low | 183 Ų | 183 | 121 Ų | 121 | 86% | 0.855 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -26.8 | -177.4 | -138.4 | 170.6 | -163.5 | 0 | 0 | 112.9 | ||
| 150 | I | 44.3 | Very low | 47.8 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 68% | 0.677 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -26.8 | -178.5 | -59.6 | 175.7 | 0 | 0 | 0 | 111.7 | S153 K154 | I150-S153 PolarHBondContact O-N 3.08Å; I150-K154 PolarHBondContact O-N 3.11Å |
| 151 | Q | 42.3 | Very low | 48.7 | Very low | 102 Ų | 102 | 113 Ų | 113 | 48% | 0.477 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.9 | -49 | -174.7 | -168.9 | 98.4 | 4.3 | 0 | 0 | 112.1 | S153 K154 E155 | Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.38Å; Q151-K154 WeakPolarHBondContact O-CB 3.35Å; Q151-K154 PolarHBondContact O-N 3.15Å; Q151-E155 VanDerWaalsContact CG-CD 3.46Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.43Å; Q151-E155 PolarHBondContact NE2-OE1 3.18Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q151-E155 VanDerWaalsContact O-N 3.08Å |
| 152 | G | 46.8 | Very low | 50 | Low | 43 Ų | 43 | 113.3 Ų | 113.3 | 44% | 0.443 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -27 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A156 | G152-A156 VanDerWaalsContact O-CB 3.26Å; G152-A156 WeakPolarHBondContact O-CB 3.46Å; G152-A156 PolarHBondContact O-N 3.26Å |
| 153 | S | 57.2 | Low | 51.2 | Low | 90 Ų | 90 | 114.4 Ų | 114.4 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -42.4 | 173.5 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | I150 Q151 L157 | I150-S153 PolarHBondContact O-N 3.08Å; Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.38Å; S153-L157 PolarHBondContact O-N 3.41Å |
| 154 | K | 54.3 | Low | 52.1 | Low | 139 Ų | 139 | 114.5 Ų | 114.5 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.8 | -41.4 | 178.6 | -173.1 | -177.5 | 177.8 | -173.2 | 0 | 111.6 | I150 Q151 L157 I158 | I150-K154 PolarHBondContact O-N 3.11Å; Q151-K154 WeakPolarHBondContact O-CB 3.35Å; Q151-K154 PolarHBondContact O-N 3.15Å; K154-L157 PolarHBondContact O-N 3.25Å; K154-I158 HydrophobicContact CG-CD1 4.17Å; K154-I158 VanDerWaalsContact O-CG1 3.32Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.34Å |
| 155 | E | 61.8 | Low | 52.7 | Low | 89 Ų | 89 | 108 Ų | 108 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.3 | -36.9 | -179.3 | -73.4 | 152.4 | 174.1 | 0 | 0 | 112.1 | Q151 L157 I158 Q159 | Q151-E155 VanDerWaalsContact CG-CD 3.46Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.43Å; Q151-E155 PolarHBondContact NE2-OE1 3.18Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q151-E155 VanDerWaalsContact O-N 3.08Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 2.97Å; E155-I158 PolarHBondContact O-N 3.05Å; E155-Q159 PolarHBondContact O-N 2.79Å |
| 156 | A | 62.3 | Low | 52.8 | Low | 59 Ų | 59 | 110.3 Ų | 110.3 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -38.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G152 D160 | G152-A156 VanDerWaalsContact O-CB 3.26Å; G152-A156 WeakPolarHBondContact O-CB 3.46Å; G152-A156 PolarHBondContact O-N 3.26Å; A156-D160 PolarHBondContact O-N 3.35Å |
| 157 | L | 62 | Low | 52.8 | Low | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.9 | -38.6 | 177.3 | -171.8 | 67.5 | 0 | 0 | 0 | 112.2 | S153 K154 E155 D160 L161 | S153-L157 PolarHBondContact O-N 3.41Å; K154-L157 PolarHBondContact O-N 3.25Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 2.97Å; L157-D160 PolarHBondContact O-N 3.07Å; L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 2.95Å |
| 158 | I | 70.6 | Confident | 52.7 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -46.9 | 174.5 | -69.3 | 164.6 | 0 | 0 | 0 | 110.2 | K154 E155 D160 L161 E162 | K154-I158 HydrophobicContact CG-CD1 4.17Å; K154-I158 VanDerWaalsContact O-CG1 3.32Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.34Å; E155-I158 PolarHBondContact O-N 3.05Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 3.32Å; I158-L161 PolarHBondContact O-N 3.35Å; I158-E162 HydrophobicContact CG2-CG 4.37Å; I158-E162 WeakPolarHBondContact O-CB 3.36Å; I158-E162 WeakPolarHBondContact O-CG 3.34Å; I158-E162 PolarHBondContact O-N 2.8Å |
| 159 | Q | 61.9 | Low | 52.3 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 176.3 | -75.9 | -171.3 | 4 | 0 | 0 | 113.4 | E155 R163 | E155-Q159 PolarHBondContact O-N 2.79Å; Q159-R163 VanDerWaalsContact O-CB 3.23Å; Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 2.91Å |
| 160 | D | 62.8 | Low | 52.1 | Low | 51 Ų | 51 | 103.6 Ų | 103.6 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 175.9 | -171.2 | 60.1 | 0 | 0 | 0 | 112.5 | A156 L157 I158 R163 K164 | A156-D160 PolarHBondContact O-N 3.35Å; L157-D160 PolarHBondContact O-N 3.07Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 3.32Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-NH1 3.29Å; D160-R163 PolarHBondContact OD1-NH1 3.43Å; D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 WeakPolarHBondContact O-CG 3.41Å; D160-K164 PolarHBondContact O-N 2.79Å; D160-K164 IonicContact OD1-NZ 2.98Å; D160-K164 VanDerWaalsContact OD2-CE 3.24Å; D160-K164 WeakPolarHBondContact OD2-CE 3.3Å; D160-K164 IonicContact OD2-NZ 3.17Å; D160-K164 PolarHBondContact OD2-NZ 2.74Å |
| 161 | L | 54.9 | Low | 51.9 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 172.3 | -76.7 | 167.4 | 0 | 0 | 0 | 112.1 | L157 I158 R163 K164 L165 | L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 2.95Å; I158-L161 PolarHBondContact O-N 3.35Å; L161-R163 PolarHBondContact O-N 3.48Å; L161-K164 PolarHBondContact O-N 3.15Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 2.74Å |
| 162 | E | 59.9 | Low | 51.8 | Low | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62 | -42 | 174.7 | -73.2 | 175.9 | 171.6 | 0 | 0 | 111.5 | I158 K164 L165 K166 | I158-E162 HydrophobicContact CG2-CG 4.37Å; I158-E162 WeakPolarHBondContact O-CB 3.36Å; I158-E162 WeakPolarHBondContact O-CG 3.34Å; I158-E162 PolarHBondContact O-N 2.8Å; E162-K164 PolarHBondContact O-N 3.4Å; E162-L165 PolarHBondContact O-N 3.11Å; E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 2.94Å |
| 163 | R | 57.6 | Low | 51.5 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 54% | 0.536 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 175.8 | -159.1 | -174.9 | -57.4 | 124.3 | -1.6 | 111.5 | Q159 D160 L161 C167 | Q159-R163 VanDerWaalsContact O-CB 3.23Å; Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 2.91Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-NH1 3.29Å; D160-R163 PolarHBondContact OD1-NH1 3.43Å; L161-R163 PolarHBondContact O-N 3.48Å; R163-C167 PolarHBondContact O-N 2.8Å; R163-C167 VanDerWaalsContact O-N 3.12Å; R163-C167 PolarHBondContact O-SG 3.17Å |
| 164 | K | 55.3 | Low | 50.7 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.6 | -33.8 | 176.6 | -77.6 | 167.8 | 176.4 | 165.3 | 0 | 113.5 | D160 L161 E162 K168 | D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 WeakPolarHBondContact O-CG 3.41Å; D160-K164 PolarHBondContact O-N 2.79Å; D160-K164 IonicContact OD1-NZ 2.98Å; D160-K164 VanDerWaalsContact OD2-CE 3.24Å; D160-K164 WeakPolarHBondContact OD2-CE 3.3Å; D160-K164 IonicContact OD2-NZ 3.17Å; D160-K164 PolarHBondContact OD2-NZ 2.74Å; L161-K164 PolarHBondContact O-N 3.15Å; E162-K164 PolarHBondContact O-N 3.4Å; K164-K168 PolarHBondContact O-N 3.06Å |
| 165 | L | 47.5 | Very low | 50.5 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 55% | 0.55 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70 | -43.8 | 172.7 | -74.9 | 165.4 | 0 | 0 | 0 | 111.2 | L161 E162 C167 K168 D169 | L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 2.74Å; E162-L165 PolarHBondContact O-N 3.11Å; L165-C167 VanDerWaalsContact C-N 3.3Å; L165-C167 PolarHBondContact O-N 3.16Å; L165-K168 WeakPolarHBondContact O-CA 3.37Å; L165-K168 VanDerWaalsContact O-CB 3.23Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 3.3Å; L165-D169 PolarHBondContact O-N 2.95Å; L165-D169 VanDerWaalsContact O-N 3.15Å |
| 166 | K | 40.5 | Very low | 49.5 | Very low | 157 Ų | 157 | 112.8 Ų | 112.8 | 68% | 0.683 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.9 | -33.5 | 178.9 | -153.1 | 166 | -169.3 | 171.9 | 0 | 112.9 | E162 K168 T170 | E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 2.94Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.04Å; K166-T170 PolarHBondContact O-N 3.09Å; K166-T170 PolarHBondContact O-OG1 2.82Å |
| 167 | C | 40.2 | Very low | 48.9 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.7 | -14.7 | 170.1 | -69.5 | 0 | 0 | 0 | 0 | 114.4 | R163 L165 T170 | R163-C167 PolarHBondContact O-N 2.8Å; R163-C167 VanDerWaalsContact O-N 3.12Å; R163-C167 PolarHBondContact O-SG 3.17Å; L165-C167 VanDerWaalsContact C-N 3.3Å; L165-C167 PolarHBondContact O-N 3.16Å; C167-T170 PolarHBondContact O-OG1 3.13Å |
| 168 | K | 39.9 | Very low | 48.1 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.2 | -34.2 | 175.1 | -160.7 | 176.8 | -178.1 | -178.5 | 0 | 111.3 | K164 L165 K166 | K164-K168 PolarHBondContact O-N 3.06Å; L165-K168 WeakPolarHBondContact O-CA 3.37Å; L165-K168 VanDerWaalsContact O-CB 3.23Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 3.3Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.04Å |
| 169 | D | 37 | Very low | 47.3 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -79.1 | -29 | 177.9 | -66.3 | -28.8 | 0 | 0 | 0 | 113.3 | L165 L171 L172 | L165-D169 PolarHBondContact O-N 2.95Å; L165-D169 VanDerWaalsContact O-N 3.15Å; D169-L171 PolarHBondContact O-N 2.83Å; D169-L172 WeakPolarHBondContact O-CB 3.47Å; D169-L172 PolarHBondContact O-N 2.75Å |
| 170 | T | 34 | Very low | 47.6 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -67.6 | -20.3 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | K166 C167 L172 | K166-T170 PolarHBondContact O-N 3.09Å; K166-T170 PolarHBondContact O-OG1 2.82Å; C167-T170 PolarHBondContact O-OG1 3.13Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å |
| 171 | L | 40.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -79.5 | -3.7 | 170 | -70.8 | 174.3 | 0 | 0 | 0 | 113.6 | D169 | D169-L171 PolarHBondContact O-N 2.83Š|
| 172 | L | 41.5 | Very low | 47.6 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -102.3 | 4.4 | 178 | -62.1 | 176 | 0 | 0 | 0 | 113.5 | D169 T170 | D169-L172 WeakPolarHBondContact O-CB 3.47Å; D169-L172 PolarHBondContact O-N 2.75Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å |
| 173 | H | 40.5 | Very low | 47.7 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 78% | 0.782 | 62% | 0.621 | S | S | * | * | trans | -110.9 | 36.5 | -176.6 | -109.8 | 68.4 | 0 | 0 | 0 | 115.1 | ||||
| 174 | N | 39.7 | Very low | 48.1 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -133.7 | 120.1 | 151.1 | -101.4 | -29.7 | 0 | 0 | 0 | 108.7 | N176 | N174-N176 PolarHBondContact O-N 2.72Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N176 PolarHBondContact O-ND2 3.02Å; N174-N176 VanDerWaalsContact O-ND2 3.16Å |
| 175 | G | 49.8 | Very low | 48.3 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 88% | 0.876 | 61% | 0.612 | S | S | * | * | trans | -54.8 | 116.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 176 | N | 41.8 | Very low | 49 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 65% | 0.652 | 59% | 0.592 | S | S | * | * | trans | -131.9 | 122.9 | 172.3 | -83.9 | -73.2 | 0 | 0 | 0 | 109.5 | N174 | N174-N176 PolarHBondContact O-N 2.72Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N176 PolarHBondContact O-ND2 3.02Å; N174-N176 VanDerWaalsContact O-ND2 3.16Å | ||
| 177 | Q | 48.3 | Very low | 50.3 | Low | 179 Ų | 179 | 114.7 Ų | 114.7 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | trans | -54.5 | 141.8 | 156.6 | -67.1 | 174.4 | -8.7 | 0 | 0 | 108.2 | L179 | Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.49Å | ||
| 178 | R | 45.9 | Very low | 51 | Low | 240 Ų | 240 | 122 Ų | 122 | 91% | 0.906 | 59% | 0.593 | S | S | * | * | trans | -72.9 | 85.8 | -173.2 | -173.2 | -179.1 | -177 | 178.4 | 0 | 109.9 | T180 | R178-T180 PolarHBondContact O-N 2.82Š| ||
| 179 | L | 55 | Low | 51.7 | Low | 33 Ų | 33 | 121.5 Ų | 121.5 | 17% | 0.173 | 60% | 0.597 | C | S | . | * | trans | -44.1 | 130.4 | -179.1 | -62.2 | 172 | 0 | 0 | 0 | 111.3 | Q177 E183 K184 | Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.49Å; L179-E183 WeakPolarHBondContact CA-OE2 3.5Å; L179-E183 HydrophobicContact CB-CB 4.23Å; L179-E183 HydrophobicContact CD2-CB 4.25Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.41Å; L179-K184 HydrophobicContact CB-CG 4.04Å; L179-K184 VanDerWaalsContact O-CE 3.26Å; L179-K184 WeakPolarHBondContact O-CE 3.45Å; L179-K184 PolarHBondContact O-NZ 2.85Å | ||
| 180 | T | 66.4 | Low | 53 | Low | 72 Ų | 72 | 120.8 Ų | 120.8 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | trans | -60.6 | 166.7 | 176.1 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | R178 E182 E183 K184 | R178-T180 PolarHBondContact O-N 2.82Å; T180-E182 PolarHBondContact O-N 3.47Å; T180-E183 WeakPolarHBondContact CB-OE2 3.45Å; T180-E183 PolarHBondContact N-OE2 2.98Å; T180-E183 WeakPolarHBondContact OG1-CB 3.32Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.46Å; T180-E183 PolarHBondContact OG1-N 2.95Å; T180-E183 VanDerWaalsContact OG1-N 3.16Å; T180-E183 PolarHBondContact OG1-OE2 2.84Å; T180-K184 WeakPolarHBondContact O-CG 3.44Å; T180-K184 PolarHBondContact O-N 3.18Å | ||
| 181 | Y | 57.5 | Low | 54.3 | Low | 178 Ų | 178 | 117.2 Ų | 117.2 | 70% | 0.698 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.4 | -40.3 | 174.6 | -178.9 | -96 | 0 | 0 | 0 | 111 | K184 M185 | Y181-K184 PolarHBondContact O-N 2.81Å; Y181-M185 HydrophobicContact CE1-SD 3.96Å; Y181-M185 PolarHBondContact O-N 3.35Å |
| 182 | E | 61.5 | Low | 55.2 | Low | 137 Ų | 137 | 114.4 Ų | 114.4 | 64% | 0.64 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66 | -46.5 | -179.9 | -60.3 | -177.7 | 176 | 0 | 0 | 112.1 | T180 K184 M185 A186 F199 | T180-E182 PolarHBondContact O-N 3.47Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.83Å; E182-M185 PolarHBondContact O-N 2.82Å; E182-M185 VanDerWaalsContact O-N 3.14Å; E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 2.87Å; E182-F199 HydrophobicContact CB-CZ 4.24Å |
| 183 | E | 61.6 | Low | 56.1 | Low | 42 Ų | 42 | 116.3 Ų | 116.3 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -60 | -39.2 | 174.6 | -76.2 | 171 | 102.6 | 0 | 0 | 113 | L179 T180 M185 R187 F199 | L179-E183 WeakPolarHBondContact CA-OE2 3.5Å; L179-E183 HydrophobicContact CB-CB 4.23Å; L179-E183 HydrophobicContact CD2-CB 4.25Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.41Å; T180-E183 WeakPolarHBondContact CB-OE2 3.45Å; T180-E183 PolarHBondContact N-OE2 2.98Å; T180-E183 WeakPolarHBondContact OG1-CB 3.32Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.46Å; T180-E183 PolarHBondContact OG1-N 2.95Å; T180-E183 VanDerWaalsContact OG1-N 3.16Å; T180-E183 PolarHBondContact OG1-OE2 2.84Å; E183-M185 VanDerWaalsContact C-N 3.32Å; E183-R187 WeakPolarHBondContact O-CB 3.3Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.33Å; E183-R187 PolarHBondContact O-N 2.98Å; E183-F199 HydrophobicContact CB-CE2 4.22Å; E183-F199 HydrophobicContact CG-CD1 4.22Å; E183-F199 HydrophobicContact CG-CD2 3.74Å; E183-F199 HydrophobicContact CG-CE1 4.13Å; E183-F199 HydrophobicContact CG-CE2 3.67Å; E183-F199 HydrophobicContact CG-CG 4.04Å; E183-F199 HydrophobicContact CG-CZ 3.86Å |
| 184 | K | 65.4 | Low | 57.3 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -37.5 | 176.4 | -75 | 166.9 | 175.9 | 143.6 | 0 | 111.8 | L179 T180 Y181 E182 R188 | L179-K184 HydrophobicContact CB-CG 4.04Å; L179-K184 VanDerWaalsContact O-CE 3.26Å; L179-K184 WeakPolarHBondContact O-CE 3.45Å; L179-K184 PolarHBondContact O-NZ 2.85Å; T180-K184 WeakPolarHBondContact O-CG 3.44Å; T180-K184 PolarHBondContact O-N 3.18Å; Y181-K184 PolarHBondContact O-N 2.81Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.83Å; K184-R188 PolarHBondContact O-N 3.4Å |
| 185 | M | 60.6 | Low | 58.5 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.9 | -45.3 | 178.1 | -155.8 | 169.8 | -171.8 | 0 | 0 | 110.8 | Y181 E182 E183 R187 R188 L189 | Y181-M185 HydrophobicContact CE1-SD 3.96Å; Y181-M185 PolarHBondContact O-N 3.35Å; E182-M185 PolarHBondContact O-N 2.82Å; E182-M185 VanDerWaalsContact O-N 3.14Å; E183-M185 VanDerWaalsContact C-N 3.32Å; M185-R187 PolarHBondContact O-N 2.91Å; M185-R188 WeakPolarHBondContact O-CB 3.12Å; M185-R188 PolarHBondContact O-N 2.76Å; M185-R188 VanDerWaalsContact O-N 3.13Å; M185-L189 HydrophobicContact CG-CD1 4.34Å; M185-L189 WeakPolarHBondContact O-CG 3.44Å; M185-L189 PolarHBondContact O-N 2.95Å; M185-L189 VanDerWaalsContact O-N 3.16Å |
| 186 | A | 61.1 | Low | 59.3 | Low | 15 Ų | 15 | 104.1 Ų | 104.1 | 12% | 0.124 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E182 R188 L189 L190 A195 F199 | E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 2.87Å; A186-R188 PolarHBondContact O-N 3.28Å; A186-R188 VanDerWaalsContact O-N 3.16Å; A186-L189 PolarHBondContact O-N 2.75Å; A186-L190 PolarHBondContact O-N 3.23Å; A186-A195 HydrophobicContact CB-CB 4.03Å; A186-F199 HydrophobicContact CB-CE2 3.78Å; A186-F199 HydrophobicContact CB-CZ 4.45Å |
| 187 | R | 68.4 | Low | 60.5 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 37% | 0.366 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -26 | 176.5 | -75.5 | -178.6 | -178.9 | -152.7 | 2.1 | 113.3 | E183 M185 G191 A195 | E183-R187 WeakPolarHBondContact O-CB 3.3Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.33Å; E183-R187 PolarHBondContact O-N 2.98Å; M185-R187 PolarHBondContact O-N 2.91Å; R187-G191 CarbonylContact O-C 3.48Å; R187-G191 VanDerWaalsContact O-CA 3.29Å; R187-G191 WeakPolarHBondContact O-CA 3.1Å; R187-G191 PolarHBondContact O-N 2.92Å; R187-A195 HydrophobicContact CB-CB 4.16Å; R187-A195 HydrophobicContact CG-CB 3.56Å |
| 188 | R | 55.9 | Low | 61.2 | Low | 231 Ų | 231 | 95.8 Ų | 95.8 | 87% | 0.872 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -84.5 | -29.6 | 179.6 | -156.3 | 178.1 | -154.4 | 157.1 | 5.8 | 113.3 | K184 M185 A186 | K184-R188 PolarHBondContact O-N 3.4Å; M185-R188 WeakPolarHBondContact O-CB 3.12Å; M185-R188 PolarHBondContact O-N 2.76Å; M185-R188 VanDerWaalsContact O-N 3.13Å; A186-R188 PolarHBondContact O-N 3.28Å; A186-R188 VanDerWaalsContact O-N 3.16Å |
| 189 | L | 54.5 | Low | 62 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 72% | 0.723 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -90.1 | -39.3 | -179.3 | -66.8 | 171.4 | 0 | 0 | 0 | 112.6 | M185 A186 | M185-L189 HydrophobicContact CG-CD1 4.34Å; M185-L189 WeakPolarHBondContact O-CG 3.44Å; M185-L189 PolarHBondContact O-N 2.95Å; M185-L189 VanDerWaalsContact O-N 3.16Å; A186-L189 PolarHBondContact O-N 2.75Å |
| 190 | L | 63.6 | Low | 62 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -107.2 | -10.3 | -172.5 | -57.6 | 174.4 | 0 | 0 | 0 | 113.5 | A186 N194 V198 | A186-L190 PolarHBondContact O-N 3.23Å; L190-N194 HydrophobicContact CB-CB 3.95Å; L190-N194 WeakPolarHBondContact O-CB 3.46Å; L190-N194 PolarHBondContact O-ND2 3.21Å; L190-V198 HydrophobicContact CD1-CG2 4.1Å |
| 191 | G | 60.4 | Low | 61.3 | Low | 25 Ų | 25 | 91.9 Ų | 91.9 | 26% | 0.258 | 47% | 0.467 | S | S | . | . | trans | 82 | 162.8 | -169 | 0 | 0 | 0 | 0 | 0 | 113 | R187 Q193 A195 | R187-G191 CarbonylContact O-C 3.48Å; R187-G191 VanDerWaalsContact O-CA 3.29Å; R187-G191 WeakPolarHBondContact O-CA 3.1Å; R187-G191 PolarHBondContact O-N 2.92Å; G191-Q193 PolarHBondContact O-N 3.09Å; G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.25Å; G191-A195 PolarHBondContact O-N 2.94Å; G191-A195 VanDerWaalsContact O-N 3.08Å | ||
| 192 | P | 60.1 | Low | 60.8 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -32.1 | -167.9 | 24.3 | -33.8 | 0 | 0 | 0 | 114.6 | A196 | P192-A196 PolarHBondContact O-N 2.79Å |
| 193 | Q | 61 | Low | 59.9 | Low | 165 Ų | 165 | 90 Ų | 90 | 77% | 0.771 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75.7 | -49.1 | -178.9 | -71.5 | 157.4 | -12.9 | 0 | 0 | 111.5 | G191 A195 A196 A197 | G191-Q193 PolarHBondContact O-N 3.09Å; Q193-A195 PolarHBondContact O-N 2.75Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.83Å; Q193-A197 PolarHBondContact O-N 2.88Å |
| 194 | N | 64 | Low | 58.9 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 179.1 | -59.9 | -31.9 | 0 | 0 | 0 | 111.9 | L190 A196 A197 V198 | L190-N194 HydrophobicContact CB-CB 3.95Å; L190-N194 WeakPolarHBondContact O-CB 3.46Å; L190-N194 PolarHBondContact O-ND2 3.21Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 3.12Å; N194-A197 PolarHBondContact O-N 2.81Å; N194-V198 WeakPolarHBondContact O-CG2 3.36Å; N194-V198 PolarHBondContact O-N 2.66Å |
| 195 | A | 65.8 | Low | 57.9 | Low | 2 Ų | 2 | 95.4 Ų | 95.4 | 2% | 0.017 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -65.1 | -33 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A186 R187 G191 Q193 V198 F199 | A186-A195 HydrophobicContact CB-CB 4.03Å; R187-A195 HydrophobicContact CB-CB 4.16Å; R187-A195 HydrophobicContact CG-CB 3.56Å; G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.25Å; G191-A195 PolarHBondContact O-N 2.94Å; G191-A195 VanDerWaalsContact O-N 3.08Å; Q193-A195 PolarHBondContact O-N 2.75Å; A195-V198 PolarHBondContact O-N 2.81Å; A195-F199 WeakPolarHBondContact O-CD2 3.25Å |
| 196 | A | 66 | Low | 56.9 | Low | 33 Ų | 33 | 94.3 Ų | 94.3 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P192 Q193 N194 V198 F199 Q200 | P192-A196 PolarHBondContact O-N 2.79Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.83Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 3.12Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 PolarHBondContact O-N 3.08Å; A196-F199 PolarHBondContact O-N 2.88Å; A196-Q200 WeakPolarHBondContact O-CB 3.34Å; A196-Q200 VanDerWaalsContact O-CG 3.32Å; A196-Q200 WeakPolarHBondContact O-CG 3.09Å; A196-Q200 PolarHBondContact O-N 2.91Å |
| 197 | A | 66.9 | Low | 55.6 | Low | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q193 N194 F199 Q200 A201 | Q193-A197 PolarHBondContact O-N 2.88Å; N194-A197 PolarHBondContact O-N 2.81Å; A197-F199 VanDerWaalsContact C-N 3.35Å; A197-F199 PolarHBondContact O-N 3.08Å; A197-Q200 PolarHBondContact O-N 2.87Å; A197-A201 WeakPolarHBondContact O-CB 3.45Å; A197-A201 PolarHBondContact O-N 2.88Å |
| 198 | V | 63.3 | Low | 53.8 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 44% | 0.436 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.9 | -41 | 178.3 | 172 | 0 | 0 | 0 | 0 | 112.4 | L190 N194 A195 A196 | L190-V198 HydrophobicContact CD1-CG2 4.1Å; N194-V198 WeakPolarHBondContact O-CG2 3.36Å; N194-V198 PolarHBondContact O-N 2.66Å; A195-V198 PolarHBondContact O-N 2.81Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 PolarHBondContact O-N 3.08Å |
| 199 | F | 62.3 | Low | 52.7 | Low | 48 Ų | 48 | 100 Ų | 100 | 21% | 0.211 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -88.9 | -20.9 | 179.3 | -68.1 | -78.1 | 0 | 0 | 0 | 113.7 | E182 E183 A186 A195 A196 A197 | E182-F199 HydrophobicContact CB-CZ 4.24Å; E183-F199 HydrophobicContact CB-CE2 4.22Å; E183-F199 HydrophobicContact CG-CD1 4.22Å; E183-F199 HydrophobicContact CG-CD2 3.74Å; E183-F199 HydrophobicContact CG-CE1 4.13Å; E183-F199 HydrophobicContact CG-CE2 3.67Å; E183-F199 HydrophobicContact CG-CG 4.04Å; E183-F199 HydrophobicContact CG-CZ 3.86Å; A186-F199 HydrophobicContact CB-CE2 3.78Å; A186-F199 HydrophobicContact CB-CZ 4.45Å; A195-F199 WeakPolarHBondContact O-CD2 3.25Å; A196-F199 PolarHBondContact O-N 2.88Å; A197-F199 VanDerWaalsContact C-N 3.35Å; A197-F199 PolarHBondContact O-N 3.08Å |
| 200 | Q | 56.1 | Low | 51.6 | Low | 139 Ų | 139 | 98.4 Ų | 98.4 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.2 | -36.3 | 170.6 | -77.2 | 175.5 | -15.5 | 0 | 0 | 112 | A196 A197 Q202 N203 | A196-Q200 WeakPolarHBondContact O-CB 3.34Å; A196-Q200 VanDerWaalsContact O-CG 3.32Å; A196-Q200 WeakPolarHBondContact O-CG 3.09Å; A196-Q200 PolarHBondContact O-N 2.91Å; A197-Q200 PolarHBondContact O-N 2.87Å; Q200-Q202 PolarHBondContact O-N 3.2Å; Q200-Q202 VanDerWaalsContact O-N 3.07Å; Q200-N203 PolarHBondContact O-N 2.66Å; Q200-N203 VanDerWaalsContact O-N 3.16Å |
| 201 | A | 51.6 | Low | 50 | Low | 75 Ų | 75 | 102.3 Ų | 102.3 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -13.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A197 | A197-A201 WeakPolarHBondContact O-CB 3.45Å; A197-A201 PolarHBondContact O-N 2.88Å |
| 202 | Q | 47.6 | Very low | 48.7 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -10 | 178.2 | -69.8 | -174.1 | -39.2 | 0 | 0 | 114.3 | Q200 | Q200-Q202 PolarHBondContact O-N 3.2Å; Q200-Q202 VanDerWaalsContact O-N 3.07Å |
| 203 | N | 42.4 | Very low | 47.3 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -9.1 | -179.8 | -77.5 | -41 | 0 | 0 | 0 | 114.2 | Q200 | Q200-N203 PolarHBondContact O-N 2.66Å; Q200-N203 VanDerWaalsContact O-N 3.16Å |
| 204 | D | 40.6 | Very low | 45.8 | Very low | 162 Ų | 162 | 111 Ų | 111 | 87% | 0.866 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -97.6 | 13.6 | -177 | -123 | 10.3 | 0 | 0 | 0 | 113.6 | ||
| 205 | S | 44.7 | Very low | 44.3 | Very low | 108 Ų | 108 | 110 Ų | 110 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -115.4 | 22.9 | 177.6 | 46.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 206 | G | 38.9 | Very low | 42.8 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -130.7 | 111.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 207 | A | 33.1 | Very low | 41.1 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | 71.4 | 100.8 | 170 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 208 | Q | 31.6 | Very low | 39.3 | Very low | 207 Ų | 207 | 126.4 Ų | 126.4 | 97% | 0.967 | 71% | 0.71 | S | S | * | * | -153.4 | 134.2 | 108 | -108.3 | 176 | 13.4 | 0 | 0 | 111.3 | |||||
| 209 | D | 31.5 | Very low | 37.6 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -124.4 | 120.5 | 180 | -178.8 | 16.3 | 0 | 0 | 0 | 108 | ||||
| 210 | S | 31.2 | Very low | 35.9 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | 167.7 | 110.9 | 155.6 | -79.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | Q | 31.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 48.4 | 121.7 | 135.6 | -57 | -172.6 | 8.1 | 0 | 0 | 119.3 | ||||
| 212 | Q | 32.9 | Very low | 33.8 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | -174.8 | 163 | 61 | -122.8 | 163.9 | 34.6 | 0 | 0 | 112 | |||||
| 213 | H | 29.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 15.8 | 139.3 | 160.9 | -86.1 | -90.4 | 0 | 0 | 0 | 120.7 | ||||
| 214 | N | 29.9 | Very low | 33.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | cis | -166.5 | 167.7 | 42.2 | -143.1 | -2.3 | 0 | 0 | 0 | 113.6 | ||||
| 215 | S | 33.1 | Very low | 32.8 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | trans | 5.6 | 142.5 | 149.1 | 55.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 216 | E | 33.8 | Very low | 32.7 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | cis | -174.2 | 173.8 | 21.7 | -122 | 170.6 | -165.5 | 0 | 0 | 110.4 | ||||
| 217 | H | 30.3 | Very low | 32.4 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | 31 | 138.3 | 155 | -63.6 | -67.4 | 0 | 0 | 0 | 121.3 | ||||
| 218 | A | 29.6 | Very low | 32.4 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | -159.3 | -176 | 30.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | R | 27.8 | Very low | 32.9 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 163.2 | -167.8 | -170.7 | -162 | 179.9 | -170.3 | 1.5 | 111.6 | ||||
| 220 | L | 26.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 59% | 0.586 | 78% | 0.78 | S | S | * | * | trans | 103.2 | 115.4 | 152.5 | -57.1 | 174.1 | 0 | 0 | 0 | 120.1 | ||||
| 221 | Q | 26.1 | Very low | 33.7 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 71.7 | 120.2 | 123.8 | -67.7 | 173.4 | -27.2 | 0 | 0 | 121.6 | |||||
| 222 | V | 36.7 | Very low | 34.1 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -58.8 | 143.6 | 153.1 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 223 | P | 36 | Very low | 35 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -128.3 | 127.3 | 140 | 34.5 | -24.5 | 0 | 0 | 0 | 112.8 | ||||
| 224 | T | 40.7 | Very low | 35.7 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 131.4 | 162.5 | -47.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 225 | S | 33.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -157.2 | 136.3 | 161.5 | -83.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 226 | Q | 42.2 | Very low | 37.3 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -77 | 140.8 | 179.2 | -58 | 168.3 | -13.5 | 0 | 0 | 110.7 | ||||
| 227 | V | 32.8 | Very low | 38 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -135.8 | 132.8 | 156 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 228 | R | 33.5 | Very low | 38.7 | Very low | 232 Ų | 232 | 147.5 Ų | 147.5 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -36.5 | 149.8 | 176.6 | -77.2 | 167.2 | 161.3 | 157.1 | -7 | 117.8 | ||||
| 229 | S | 40.3 | Very low | 39.7 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -43 | 138.4 | 156.4 | 40.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 230 | R | 36.7 | Very low | 40.9 | Very low | 244 Ų | 244 | 146.7 Ų | 146.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -133 | 124.1 | 149.6 | -79.6 | -173.5 | 171.9 | 171.2 | -1.9 | 108.8 | ||||
| 231 | S | 43.8 | Very low | 42 | Very low | 125 Ų | 125 | 148 Ų | 148 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -80 | 120.9 | 169.2 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | S | 40.2 | Very low | 43.4 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -139.4 | 101.4 | 163.9 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | R234 | S232-R234 PolarHBondContact O-N 3.42Š| ||
| 233 | S | 51.4 | Low | 44.4 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -63 | 122.6 | 173.7 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 234 | R | 44.4 | Very low | 45.4 | Very low | 248 Ų | 248 | 148.4 Ų | 148.4 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -161.9 | 131.9 | 143.8 | -101.6 | 151.2 | -165.8 | -163.8 | 2.5 | 106.5 | S232 | S232-R234 PolarHBondContact O-N 3.42Š| ||
| 235 | G | 50.5 | Low | 46.8 | Very low | 79 Ų | 79 | 148.3 Ų | 148.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 132 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 236 | D | 45 | Very low | 49.2 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -126.4 | 123.5 | 142.6 | -112.2 | -37 | 0 | 0 | 0 | 106.4 | N238 | D236-N238 PolarHBondContact O-N 2.75Š| ||
| 237 | V | 49.3 | Very low | 51.6 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 78 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | D239 | V237-D239 HydrophobicContact CG1-CB 4.26Å; V237-D239 VanDerWaalsContact CG1-OD2 3.29Å; V237-D239 WeakPolarHBondContact CG1-OD2 3.33Å; V237-D239 PolarHBondContact O-N 3.12Å | ||
| 238 | N | 46.2 | Very low | 54.6 | Low | 134 Ų | 134 | 144.6 Ų | 144.6 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -80.1 | 70.5 | 164.5 | -93 | -27.3 | 0 | 0 | 0 | 109.2 | D236 Q240 | D236-N238 PolarHBondContact O-N 2.75Å; N238-Q240 PolarHBondContact O-N 2.96Å | ||
| 239 | D | 50.4 | Low | 57.6 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 60.8 | 159.2 | -72.3 | -20.6 | 0 | 0 | 0 | 109 | V237 D241 | V237-D239 HydrophobicContact CG1-CB 4.26Å; V237-D239 VanDerWaalsContact CG1-OD2 3.29Å; V237-D239 WeakPolarHBondContact CG1-OD2 3.33Å; V237-D239 PolarHBondContact O-N 3.12Å; D239-D241 PolarHBondContact O-N 3.17Å; D239-D241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | Q | 51.4 | Low | 60.4 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -79 | 68.1 | 148.3 | -70.7 | -166.1 | 0.2 | 0 | 0 | 107.3 | N238 A242 | N238-Q240 PolarHBondContact O-N 2.96Å; Q240-A242 PolarHBondContact O-N 3.04Å | ||
| 241 | D | 51 | Low | 63.2 | Low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -55 | 97.8 | 154.5 | -101.9 | -21.2 | 0 | 0 | 0 | 106.2 | D239 I243 | D239-D241 PolarHBondContact O-N 3.17Å; D239-D241 VanDerWaalsContact O-N 3.13Å; D241-I243 PolarHBondContact O-N 2.92Å | ||
| 242 | A | 54.8 | Low | 65.8 | Low | 85 Ų | 85 | 124.6 Ų | 124.6 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | trans | -59.4 | 106.5 | 172 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q240 Q244 | Q240-A242 PolarHBondContact O-N 3.04Å; A242-Q244 PolarHBondContact O-N 3.41Å | ||
| 243 | I | 58.3 | Low | 68.5 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 82% | 0.815 | 64% | 0.643 | S | S | * | * | trans | -61.6 | 91.1 | 178.4 | -57.2 | 175.2 | 0 | 0 | 0 | 107 | D241 E245 | D241-I243 PolarHBondContact O-N 2.92Å; I243-E245 PolarHBondContact O-N 3.49Å | ||
| 244 | Q | 57.8 | Low | 70.6 | Confident | 178 Ų | 178 | 123.3 Ų | 123.3 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | trans | -65.6 | 101.2 | 169.8 | -69.6 | -173.5 | 1.3 | 0 | 0 | 105.9 | A242 K246 | A242-Q244 PolarHBondContact O-N 3.41Å; Q244-K246 PolarHBondContact O-N 3.05Å | ||
| 245 | E | 69.7 | Low | 73.1 | Confident | 126 Ų | 126 | 114.8 Ų | 114.8 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | trans | -53 | 109.3 | 175.6 | -73.8 | -165 | 132.1 | 0 | 0 | 108.8 | I243 F247 R328 | I243-E245 PolarHBondContact O-N 3.49Å; E245-F247 HydrophobicContact CB-CD1 4.22Å; E245-F247 HydrophobicContact CB-CE1 3.31Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CE1 4.31Å; E245-F247 WeakPolarHBondContact O-CD1 3.35Å; E245-F247 WeakPolarHBondContact O-CE1 3.24Å; E245-F247 PolarHBondContact O-N 2.84Å; E245-F247 VanDerWaalsContact OE2-CE1 3.26Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.28Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.26Å; E245-R328 IonicContact OE2-NH2 3.75Å | ||
| 246 | K | 83.4 | Confident | 75.3 | Confident | 178 Ų | 178 | 112.1 Ų | 112.1 | 77% | 0.774 | 57% | 0.567 | S | S | * | * | trans | -75.6 | 88.9 | -173.8 | -173.7 | 174.1 | -178.7 | 173.1 | 0 | 110 | Q244 | Q244-K246 PolarHBondContact O-N 3.05Š| ||
| 247 | F | 93.1 | Very high | 77.7 | Confident | 84 Ų | 84 | 113 Ų | 113 | 37% | 0.368 | 57% | 0.567 | S | S | . | * | trans | -65.5 | 145.7 | 172.4 | -49.4 | -39.5 | 0 | 0 | 0 | 110.6 | E245 L276 R328 A329 | E245-F247 HydrophobicContact CB-CD1 4.22Å; E245-F247 HydrophobicContact CB-CE1 3.31Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CE1 4.31Å; E245-F247 WeakPolarHBondContact O-CD1 3.35Å; E245-F247 WeakPolarHBondContact O-CE1 3.24Å; E245-F247 PolarHBondContact O-N 2.84Å; E245-F247 VanDerWaalsContact OE2-CE1 3.26Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.28Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.26Å; F247-L276 VanDerWaalsContact CA-O 3.22Å; F247-L276 WeakPolarHBondContact CA-O 3.47Å; F247-L276 VanDerWaalsContact CB-O 3.29Å; F247-L276 WeakPolarHBondContact CB-O 3.33Å; F247-R328 VanDerWaalsContact CE2-NE 3.34Å; F247-R328 VanDerWaalsContact CZ-CZ 3.44Å; F247-A329 HydrophobicContact CB-CB 3.91Å | ||
| 248 | Y | 95.2 | Very high | 79.9 | Confident | 107 Ų | 107 | 113 Ų | 113 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.4 | 142.1 | 174.4 | 55.4 | -93.1 | 0 | 0 | 0 | 110.4 | G275 L276 N327 | Y248-G275 VanDerWaalsContact CE2-C 3.46Å; Y248-L276 HydrophobicContact CD1-CB 3.62Å; Y248-L276 HydrophobicContact CE1-CB 3.26Å; Y248-L276 HydrophobicContact CE1-CD2 4.11Å; Y248-L276 HydrophobicContact CE1-CG 4.3Å; Y248-L276 HydrophobicContact CE2-CB 4.28Å; Y248-L276 HydrophobicContact CG-CB 4.26Å; Y248-L276 PolarHBondContact N-O 3.34Å; Y248-L276 PolarHBondContact O-N 3.37Å; Y248-L276 VanDerWaalsContact O-N 3.15Å; Y248-N327 PolarHBondContact O-ND2 2.76Å |
| 249 | P | 97.1 | Very high | 82.2 | Confident | 70 Ų | 70 | 108.3 Ų | 108.3 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 163.1 | -176.2 | 26.9 | -35.8 | 0 | 0 | 0 | 111.4 | ||
| 250 | P | 97.9 | Very high | 84.4 | Confident | 9 Ų | 9 | 105.3 Ų | 105.3 | 6% | 0.058 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 141.2 | 176.8 | -20.1 | 35.6 | 0 | 0 | 0 | 110.7 | V273 S274 P279 A325 N327 G330 A332 | P250-V273 HydrophobicContact CB-CG2 4.16Å; P250-S274 CarbonylContact C-O 3.58Å; P250-S274 VanDerWaalsContact CA-O 3.22Å; P250-S274 WeakPolarHBondContact CA-O 3.45Å; P250-P279 HydrophobicContact CB-CB 4.01Å; P250-P279 HydrophobicContact CB-CG 4.4Å; P250-P279 HydrophobicContact CG-CB 3.93Å; P250-A325 HydrophobicContact CB-CB 3.93Å; P250-A325 WeakPolarHBondContact CG-O 3.4Å; P250-N327 WeakPolarHBondContact CD-OD1 3.41Å; P250-N327 HydrophobicContact CG-CB 4.29Å; P250-G330 WeakPolarHBondContact CD-O 3.45Å; P250-G330 WeakPolarHBondContact CG-O 3.49Å; P250-A332 HydrophobicContact CB-CB 4.16Å; P250-A332 WeakPolarHBondContact O-CB 3.42Å |
| 251 | R | 97.1 | Very high | 86.4 | Confident | 183 Ų | 183 | 98.6 Ų | 98.6 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 122.4 | 175.3 | 178.6 | 176.4 | 175.2 | 174.9 | 0.1 | 110.1 | I253 V273 S274 | R251-I253 PolarHBondContact O-N 3.13Å; R251-V273 WeakPolarHBondContact O-CA 3.19Å; R251-S274 PolarHBondContact N-O 2.83Å; R251-S274 PolarHBondContact O-N 2.79Å; R251-S274 PolarHBondContact O-OG 2.94Å |
| 252 | F | 97 | Very high | 88.4 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.3 | 170.4 | -63 | -73.1 | 0 | 0 | 0 | 110.3 | V255 F271 K272 V273 A325 A332 F334 | F252-V255 HydrophobicContact CB-CG1 3.76Å; F252-V255 HydrophobicContact CG-CG1 4.17Å; F252-F271 HydrophobicContact CD1-CD2 4.13Å; F252-F271 AromaticContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CE2 4.14Å; F252-K272 CarbonylContact C-O 3.15Å; F252-K272 WeakPolarHBondContact CA-O 3.34Å; F252-V273 HydrophobicContact CD1-CB 3.76Å; F252-V273 HydrophobicContact CD1-CG2 3.96Å; F252-V273 HydrophobicContact CE1-CB 3.85Å; F252-V273 HydrophobicContact CE1-CG2 3.95Å; F252-V273 HydrophobicContact CG-CG2 4.49Å; F252-V273 HydrophobicContact CZ-CG2 4.49Å; F252-A325 HydrophobicContact CE1-CB 4.06Å; F252-A325 HydrophobicContact CE2-CB 4.28Å; F252-A325 HydrophobicContact CZ-CB 3.56Å; F252-A332 HydrophobicContact CD2-CB 4.08Å; F252-A332 HydrophobicContact CE2-CB 3.87Å; F252-A332 WeakPolarHBondContact CE2-O 3.26Å; F252-F334 AromaticContact CD1-CD1 3.62Å; F252-F334 HydrophobicContact CD1-CD1 3.62Å; F252-F334 AromaticContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD2-CB 4.42Å; F252-F334 AromaticContact CD2-CD1 3.76Å; F252-F334 HydrophobicContact CD2-CD1 3.76Å; F252-F334 AromaticContact CE1-CD1 3.56Å; F252-F334 HydrophobicContact CE1-CD1 3.56Å; F252-F334 AromaticContact CE1-CE1 3.53Å; F252-F334 HydrophobicContact CE1-CE1 3.53Å; F252-F334 AromaticContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CE1 4.47Å; F252-F334 AromaticContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CE1 4.28Å; F252-F334 AromaticContact CZ-CD1 3.6Å; F252-F334 HydrophobicContact CZ-CD1 3.6Å; F252-F334 AromaticContact CZ-CE1 3.94Å; F252-F334 HydrophobicContact CZ-CE1 3.94Å |
| 253 | I | 96.4 | Very high | 90.1 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -32.2 | 176.3 | -63.9 | 166.2 | 0 | 0 | 0 | 109.9 | R251 K272 | R251-I253 PolarHBondContact O-N 3.13Å; I253-K272 HydrophobicContact CB-CB 4.19Å; I253-K272 PolarHBondContact N-O 2.81Å |
| 254 | Q | 95.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 88.2 Ų | 88.2 | 40% | 0.402 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.2 | 179.2 | -178.5 | 179.6 | -5.3 | 0 | 0 | 107.9 | F271 K272 | Q254-F271 CarbonylContact O-C 3.45Å; Q254-F271 VanDerWaalsContact O-CA 3.31Å; Q254-F271 WeakPolarHBondContact O-CA 3.38Å; Q254-F271 VanDerWaalsContact O-CB 3.31Å; Q254-F271 WeakPolarHBondContact O-CB 3.49Å; Q254-K272 HydrophobicContact CB-CB 4.03Å; Q254-K272 HydrophobicContact CB-CD 4.41Å; Q254-K272 HydrophobicContact CB-CG 4.17Å; Q254-K272 PolarHBondContact N-O 2.93Å; Q254-K272 PolarHBondContact O-N 2.81Å; Q254-K272 VanDerWaalsContact OE1-CE 3.32Å |
| 255 | V | 96.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 42% | 0.424 | 43% | 0.425 | S | S | . | . | trans | -127.8 | 150.6 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 109 | F252 F334 | F252-V255 HydrophobicContact CB-CG1 3.76Å; F252-V255 HydrophobicContact CG-CG1 4.17Å; V255-F334 HydrophobicContact CB-CD1 4.33Å; V255-F334 HydrophobicContact CB-CD2 4.1Å; V255-F334 HydrophobicContact CB-CE1 4.49Å; V255-F334 HydrophobicContact CB-CE2 4.31Å; V255-F334 HydrophobicContact CB-CG 4.14Å; V255-F334 HydrophobicContact CB-CZ 4.49Å; V255-F334 HydrophobicContact CG1-CB 3.97Å; V255-F334 HydrophobicContact CG1-CD1 3.52Å; V255-F334 HydrophobicContact CG1-CD2 4.09Å; V255-F334 HydrophobicContact CG1-CE1 3.94Å; V255-F334 HydrophobicContact CG1-CE2 4.49Å; V255-F334 HydrophobicContact CG1-CG 3.6Å; V255-F334 HydrophobicContact CG1-CZ 4.41Å | ||
| 256 | P | 96.3 | Very high | 94.3 | Very high | 22 Ų | 22 | 86.7 Ų | 86.7 | 14% | 0.143 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 153.9 | 171.3 | 31.8 | -37.6 | 0 | 0 | 0 | 111.1 | M269 F334 V336 | P256-M269 HydrophobicContact CB-CB 4.45Å; P256-M269 HydrophobicContact CG-CB 4.26Å; P256-F334 HydrophobicContact CG-CE2 3.83Å; P256-F334 HydrophobicContact CG-CZ 4.18Å; P256-V336 HydrophobicContact CB-CG2 4.43Å; P256-V336 HydrophobicContact CG-CB 4.22Å; P256-V336 HydrophobicContact CG-CG1 4.14Å; P256-V336 HydrophobicContact CG-CG2 4.17Å |
| 257 | E | 96 | Very high | 94.8 | Very high | 171 Ų | 171 | 78.3 Ų | 78.3 | 80% | 0.799 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 165.1 | 168.7 | -65.6 | -177.9 | 179.3 | 0 | 0 | 111.1 | V336 | E257-V336 WeakPolarHBondContact O-CG2 3.27Š|
| 258 | N | 96.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 79.4 Ų | 79.4 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 145.5 | 173.7 | -65.2 | -17.3 | 0 | 0 | 0 | 110.9 | Q337 | N258-Q337 WeakPolarHBondContact CA-O 3.3Å; N258-Q337 HydrophobicContact CB-CB 4.17Å; N258-Q337 PolarHBondContact OD1-N 2.95Å |
| 259 | M | 94.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 74.3 Ų | 74.3 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 137.6 | -162.2 | 38.6 | -174.3 | -80 | 0 | 0 | 112.2 | I261 C267 M269 Q337 L338 D339 | M259-I261 HydrophobicContact CE-CD1 3.48Å; M259-I261 VanDerWaalsContact CE-CD1 3.48Å; M259-I261 HydrophobicContact CE-CG1 4.43Å; M259-C267 WeakPolarHBondContact CE-SG 3.32Å; M259-M269 HydrophobicContact CE-CE 3.88Å; M259-M269 HydrophobicContact CE-CG 3.97Å; M259-M269 HydrophobicContact SD-CE 3.93Å; M259-M269 HydrophobicContact SD-CG 3.63Å; M259-Q337 PolarHBondContact N-O 3.25Å; M259-L338 HydrophobicContact CE-CD1 3.89Å; M259-L338 HydrophobicContact CG-CD1 4.27Å; M259-L338 WeakPolarHBondContact O-CA 3.37Å; M259-D339 PolarHBondContact O-N 2.82Å |
| 260 | S | 95.6 | Very high | 94.9 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.8 | -179.5 | -161.7 | 0 | 0 | 0 | 0 | 110.3 | D339 L341 | S260-D339 CarbonylContact C-O 3.59Å; S260-D339 VanDerWaalsContact CA-O 3.25Å; S260-D339 WeakPolarHBondContact CA-O 3.43Å; S260-L341 WeakPolarHBondContact OG-CD2 3.27Å; S260-L341 WeakPolarHBondContact OG-CG 3.28Å |
| 261 | I | 93.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 73 Ų | 73 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 134.7 | -168.6 | -65 | -173.4 | 0 | 0 | 0 | 111.2 | M259 R265 C267 V313 L338 D339 V340 L341 | M259-I261 HydrophobicContact CE-CD1 3.48Å; M259-I261 VanDerWaalsContact CE-CD1 3.48Å; M259-I261 HydrophobicContact CE-CG1 4.43Å; I261-R265 HydrophobicContact CG2-CB 3.7Å; I261-R265 HydrophobicContact CG2-CG 4.35Å; I261-C267 HydrophobicContact CD1-CB 3.56Å; I261-V313 HydrophobicContact CG2-CB 4.47Å; I261-V313 HydrophobicContact CG2-CG2 4.19Å; I261-L338 HydrophobicContact CB-CD1 4.45Å; I261-L338 HydrophobicContact CD1-CD1 4.38Å; I261-L338 HydrophobicContact CG1-CD1 4.4Å; I261-D339 PolarHBondContact N-O 2.78Å; I261-V340 CarbonylContact O-C 3.59Å; I261-V340 WeakPolarHBondContact O-CA 3.22Å; I261-L341 PolarHBondContact O-N 3.4Å |
| 262 | D | 91.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 136.6 | 173.8 | -46.4 | -49.7 | 0 | 0 | 0 | 111.7 | G264 R265 | D262-G264 PolarHBondContact O-N 3.33Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 VanDerWaalsContact O-CB 3.28Å; D262-R265 WeakPolarHBondContact O-CB 3.47Å; D262-R265 WeakPolarHBondContact O-CG 3.34Å; D262-R265 PolarHBondContact O-N 3.44Å; D262-R265 IonicContact OD2-NE 3.73Å; D262-R265 IonicContact OD2-NH2 3.68Å |
| 263 | E | 92.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 134.5 | 172.8 | -169.8 | 176.6 | -149.3 | 0 | 0 | 111.7 | A315 V340 L341 K343 | E263-A315 WeakPolarHBondContact OE1-CB 3.42Å; E263-A315 PolarHBondContact OE1-N 2.77Å; E263-V340 HydrophobicContact CB-CG1 3.91Å; E263-V340 HydrophobicContact CG-CG1 4.36Å; E263-L341 PolarHBondContact N-O 3.19Å; E263-K343 HydrophobicContact CB-CB 4.01Å |
| 264 | G | 88.8 | Confident | 94.7 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 5.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D262 V313 | D262-G264 PolarHBondContact O-N 3.33Å; G264-V313 PolarHBondContact N-O 2.77Å |
| 265 | R | 91.4 | Very high | 94.6 | Very high | 150 Ų | 150 | 59.6 Ų | 59.6 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | trans | -90.4 | 162 | 174.5 | -66.8 | -68 | -155.7 | 161.9 | 10.5 | 112.6 | I261 D262 V312 V313 | I261-R265 HydrophobicContact CG2-CB 3.7Å; I261-R265 HydrophobicContact CG2-CG 4.35Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 VanDerWaalsContact O-CB 3.28Å; D262-R265 WeakPolarHBondContact O-CB 3.47Å; D262-R265 WeakPolarHBondContact O-CG 3.34Å; D262-R265 PolarHBondContact O-N 3.44Å; D262-R265 IonicContact OD2-NE 3.73Å; D262-R265 IonicContact OD2-NH2 3.68Å; R265-V312 WeakPolarHBondContact O-CA 3.42Å; R265-V313 WeakPolarHBondContact O-CG2 3.14Å; R265-V313 PolarHBondContact O-N 3.32Å | ||
| 266 | F | 93.1 | Very high | 94.5 | Very high | 123 Ų | 123 | 59.7 Ų | 59.7 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | trans | -74.4 | 142.9 | 164.4 | 175.2 | -90.7 | 0 | 0 | 0 | 110.5 | R268 I309 | F266-R268 HydrophobicContact CE1-CB 3.81Å; F266-R268 HydrophobicContact CZ-CB 4.11Å; F266-I309 HydrophobicContact CD2-CG2 4.37Å; F266-I309 HydrophobicContact CE2-CG2 3.39Å; F266-I309 HydrophobicContact CZ-CG2 3.68Å | ||
| 267 | C | 94 | Very high | 94.4 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.8 | 177.3 | 158.1 | 0 | 0 | 0 | 0 | 110.8 | M259 I261 I309 F310 V313 | M259-C267 WeakPolarHBondContact CE-SG 3.32Å; I261-C267 HydrophobicContact CD1-CB 3.56Å; C267-I309 WeakPolarHBondContact O-CA 3.29Å; C267-F310 HydrophobicContact CB-CB 3.99Å; C267-F310 HydrophobicContact CB-CD2 3.91Å; C267-F310 HydrophobicContact CB-CG 4.23Å; C267-F310 PolarHBondContact N-O 2.83Å; C267-F310 PolarHBondContact O-N 2.94Å; C267-F310 WeakPolarHBondContact SG-CD2 3.42Å; C267-V313 HydrophobicContact CB-CG2 3.31Å |
| 268 | R | 95.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 55.8 Ų | 55.8 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 122.3 | 176.9 | 175.8 | 171.9 | 177.6 | 161.8 | 5.4 | 111 | F266 D270 S307 L308 I309 | F266-R268 HydrophobicContact CE1-CB 3.81Å; F266-R268 HydrophobicContact CZ-CB 4.11Å; R268-D270 IonicContact CZ-OD1 2.64Å; R268-D270 IonicContact CZ-OD2 3.49Å; R268-D270 VanDerWaalsContact NE-CG 3.31Å; R268-D270 IonicContact NE-OD1 3.57Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 2.77Å; R268-D270 PolarHBondContact NE-OD2 2.86Å; R268-D270 VanDerWaalsContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 3.91Å; R268-D270 PolarHBondContact NH2-OD1 2.9Å; R268-D270 IonicContact NH2-OD2 3.35Å; R268-S307 PolarHBondContact NE-OG 3.2Å; R268-S307 PolarHBondContact NH2-OG 3.31Å; R268-L308 WeakPolarHBondContact CA-O 3.47Å; R268-I309 HydrophobicContact CB-CG1 4.26Å; R268-I309 HydrophobicContact CG-CG1 3.93Å |
| 269 | M | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.6 | 173.9 | -65.9 | 174.2 | -174.8 | 0 | 0 | 109.3 | P256 M259 W283 S307 L308 F310 Y321 V336 L338 | P256-M269 HydrophobicContact CB-CB 4.45Å; P256-M269 HydrophobicContact CG-CB 4.26Å; M259-M269 HydrophobicContact CE-CE 3.88Å; M259-M269 HydrophobicContact CE-CG 3.97Å; M259-M269 HydrophobicContact SD-CE 3.93Å; M259-M269 HydrophobicContact SD-CG 3.63Å; M269-W283 HydrophobicContact SD-CH2 4.14Å; M269-W283 HydrophobicContact SD-CZ3 4.39Å; M269-S307 VanDerWaalsContact O-CA 3.32Å; M269-S307 WeakPolarHBondContact O-CA 3.5Å; M269-L308 HydrophobicContact CB-CB 4.32Å; M269-L308 PolarHBondContact N-O 3.25Å; M269-L308 PolarHBondContact O-N 3.03Å; M269-L308 HydrophobicContact SD-CD2 4.1Å; M269-F310 HydrophobicContact CE-CE2 3.87Å; M269-F310 HydrophobicContact CE-CZ 4.13Å; M269-F310 HydrophobicContact SD-CE2 4.15Å; M269-Y321 HydrophobicContact CE-CD2 4.1Å; M269-Y321 HydrophobicContact CE-CE2 4.38Å; M269-Y321 HydrophobicContact CE-CG 4.43Å; M269-V336 HydrophobicContact CE-CG1 4.45Å; M269-V336 HydrophobicContact SD-CG1 3.97Å; M269-L338 HydrophobicContact CE-CB 3.79Å; M269-L338 HydrophobicContact CE-CD2 3.81Å; M269-L338 HydrophobicContact CE-CG 4.26Å |
| 270 | D | 96 | Very high | 94.2 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.4 | -177 | -83.4 | -18.3 | 0 | 0 | 0 | 112 | R268 L305 H306 S307 | R268-D270 IonicContact CZ-OD1 2.64Å; R268-D270 IonicContact CZ-OD2 3.49Å; R268-D270 VanDerWaalsContact NE-CG 3.31Å; R268-D270 IonicContact NE-OD1 3.57Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 2.77Å; R268-D270 PolarHBondContact NE-OD2 2.86Å; R268-D270 VanDerWaalsContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 3.91Å; R268-D270 PolarHBondContact NH2-OD1 2.9Å; R268-D270 IonicContact NH2-OD2 3.35Å; D270-L305 HydrophobicContact CB-CD1 4.2Å; D270-L305 HydrophobicContact CB-CD2 4.45Å; D270-H306 WeakPolarHBondContact CA-O 3.32Å; D270-S307 WeakPolarHBondContact OD1-CB 3.19Å; D270-S307 PolarHBondContact OD1-OG 2.99Å |
| 271 | F | 96.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 161.7 | 179.7 | 67.2 | -78.7 | 0 | 0 | 0 | 112.1 | F252 Q254 V281 W283 H306 F334 | F252-F271 HydrophobicContact CD1-CD2 4.13Å; F252-F271 AromaticContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CE2 4.14Å; Q254-F271 CarbonylContact O-C 3.45Å; Q254-F271 VanDerWaalsContact O-CA 3.31Å; Q254-F271 WeakPolarHBondContact O-CA 3.38Å; Q254-F271 VanDerWaalsContact O-CB 3.31Å; Q254-F271 WeakPolarHBondContact O-CB 3.49Å; F271-V281 HydrophobicContact CE2-CG1 3.85Å; F271-V281 HydrophobicContact CE2-CG2 4.45Å; F271-V281 HydrophobicContact CZ-CG1 3.71Å; F271-W283 AromaticContact CD1-CZ2 3.78Å; F271-W283 HydrophobicContact CD1-CZ2 3.78Å; F271-W283 AromaticContact CE1-CE2 3.87Å; F271-W283 AromaticContact CE1-CZ2 3.57Å; F271-W283 HydrophobicContact CE1-CZ2 3.57Å; F271-W283 AromaticContact CE1-NE1 3.59Å; F271-W283 HydrophobicContact CZ-CZ2 4.28Å; F271-W283 AromaticContact CZ-NE1 3.78Å; F271-H306 HydrophobicContact CD1-CB 3.91Å; F271-H306 HydrophobicContact CD2-CB 3.94Å; F271-H306 HydrophobicContact CE1-CB 3.46Å; F271-H306 VanDerWaalsContact CE1-CB 3.46Å; F271-H306 HydrophobicContact CE2-CB 3.5Å; F271-H306 AromaticContact CE2-CG 3.83Å; F271-H306 HydrophobicContact CG-CB 4.12Å; F271-H306 HydrophobicContact CZ-CB 3.25Å; F271-H306 AromaticContact CZ-CG 3.91Å; F271-H306 PolarHBondContact N-O 2.92Å; F271-H306 PolarHBondContact O-N 2.92Å; F271-F334 HydrophobicContact CB-CE1 4.04Å; F271-F334 HydrophobicContact CB-CZ 4.01Å; F271-F334 HydrophobicContact CD1-CZ 4.41Å; F271-F334 AromaticContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CZ 4.46Å; F271-F334 HydrophobicContact CG-CE1 4.02Å; F271-F334 HydrophobicContact CG-CZ 4.06Å |
| 272 | K | 96.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.6 | 174.3 | -64 | -177.6 | -174.4 | 167.8 | 0 | 109.9 | F252 I253 Q254 L305 | F252-K272 CarbonylContact C-O 3.15Å; F252-K272 WeakPolarHBondContact CA-O 3.34Å; I253-K272 HydrophobicContact CB-CB 4.19Å; I253-K272 PolarHBondContact N-O 2.81Å; Q254-K272 HydrophobicContact CB-CB 4.03Å; Q254-K272 HydrophobicContact CB-CD 4.41Å; Q254-K272 HydrophobicContact CB-CG 4.17Å; Q254-K272 PolarHBondContact N-O 2.93Å; Q254-K272 PolarHBondContact O-N 2.81Å; Q254-K272 VanDerWaalsContact OE1-CE 3.32Å; K272-L305 HydrophobicContact CD-CD1 4.35Å; K272-L305 HydrophobicContact CG-CD1 3.69Å |
| 273 | V | 96.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.6 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 109.2 | P250 R251 F252 P279 V281 A325 | P250-V273 HydrophobicContact CB-CG2 4.16Å; R251-V273 WeakPolarHBondContact O-CA 3.19Å; F252-V273 HydrophobicContact CD1-CB 3.76Å; F252-V273 HydrophobicContact CD1-CG2 3.96Å; F252-V273 HydrophobicContact CE1-CB 3.85Å; F252-V273 HydrophobicContact CE1-CG2 3.95Å; F252-V273 HydrophobicContact CG-CG2 4.49Å; F252-V273 HydrophobicContact CZ-CG2 4.49Å; V273-P279 HydrophobicContact CB-CG 4.42Å; V273-P279 HydrophobicContact CG1-CG 3.72Å; V273-P279 HydrophobicContact CG2-CG 3.88Å; V273-V281 HydrophobicContact CG1-CG2 4.11Å; V273-A325 HydrophobicContact CG2-CB 3.8Å |
| 274 | S | 95.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 157.8 | 165.8 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | P250 R251 | P250-S274 CarbonylContact C-O 3.58Å; P250-S274 VanDerWaalsContact CA-O 3.22Å; P250-S274 WeakPolarHBondContact CA-O 3.45Å; R251-S274 PolarHBondContact N-O 2.83Å; R251-S274 PolarHBondContact O-N 2.79Å; R251-S274 PolarHBondContact O-OG 2.94Å |
| 275 | G | 93.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | 148.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109 | Y248 P277 | Y248-G275 VanDerWaalsContact CE2-C 3.46Å; G275-P277 CarbonylContact C-O 3.46Å; G275-P277 CarbonylContact O-C 3.43Å |
| 276 | L | 94.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.9 | 170.6 | -170.1 | 71.2 | 0 | 0 | 0 | 109.8 | F247 Y248 N327 | F247-L276 VanDerWaalsContact CA-O 3.22Å; F247-L276 WeakPolarHBondContact CA-O 3.47Å; F247-L276 VanDerWaalsContact CB-O 3.29Å; F247-L276 WeakPolarHBondContact CB-O 3.33Å; Y248-L276 HydrophobicContact CD1-CB 3.62Å; Y248-L276 HydrophobicContact CE1-CB 3.26Å; Y248-L276 HydrophobicContact CE1-CD2 4.11Å; Y248-L276 HydrophobicContact CE1-CG 4.3Å; Y248-L276 HydrophobicContact CE2-CB 4.28Å; Y248-L276 HydrophobicContact CG-CB 4.26Å; Y248-L276 PolarHBondContact N-O 3.34Å; Y248-L276 PolarHBondContact O-N 3.37Å; Y248-L276 VanDerWaalsContact O-N 3.15Å; L276-N327 PolarHBondContact N-ND2 2.85Å |
| 277 | P | 93.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | S | Bend | cis | -57.4 | 161.7 | -4.8 | -24.7 | 36.5 | 0 | 0 | 0 | 113.9 | G275 N327 R328 | G275-P277 CarbonylContact C-O 3.46Å; G275-P277 CarbonylContact O-C 3.43Å; P277-N327 WeakPolarHBondContact O-CB 3.18Å; P277-N327 PolarHBondContact O-ND2 2.89Å; P277-R328 HydrophobicContact CG-CG 3.91Å |
| 278 | A | 93 | Very high | 94.4 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 128.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 279 | P | 95 | Very high | 94.3 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 141.1 | -173.1 | 30 | -34.2 | 0 | 0 | 0 | 111.8 | P250 V273 A325 R326 N327 | P250-P279 HydrophobicContact CB-CB 4.01Å; P250-P279 HydrophobicContact CB-CG 4.4Å; P250-P279 HydrophobicContact CG-CB 3.93Å; V273-P279 HydrophobicContact CB-CG 4.42Å; V273-P279 HydrophobicContact CG1-CG 3.72Å; V273-P279 HydrophobicContact CG2-CG 3.88Å; P279-A325 HydrophobicContact CB-CB 4.19Å; P279-R326 CarbonylContact C-O 3.56Å; P279-R326 VanDerWaalsContact CA-O 3.3Å; P279-R326 WeakPolarHBondContact CA-O 3.1Å; P279-N327 HydrophobicContact CB-CB 4.44Å |
| 280 | D | 94.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 148.4 | 162 | -177.1 | 34.1 | 0 | 0 | 0 | 109.4 | A325 R326 | D280-A325 CarbonylContact O-C 3.58Å; D280-A325 VanDerWaalsContact O-CA 3.28Å; D280-A325 WeakPolarHBondContact O-CA 3.48Å; D280-R326 PolarHBondContact N-O 3.03Å; D280-R326 PolarHBondContact O-N 3.01Å |
| 281 | V | 95.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.4 | -173 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | F271 V273 M298 C323 V324 A325 | F271-V281 HydrophobicContact CE2-CG1 3.85Å; F271-V281 HydrophobicContact CE2-CG2 4.45Å; F271-V281 HydrophobicContact CZ-CG1 3.71Å; V273-V281 HydrophobicContact CG1-CG2 4.11Å; V281-M298 VanDerWaalsContact O-CE 3.3Å; V281-M298 WeakPolarHBondContact O-CE 3.39Å; V281-C323 WeakPolarHBondContact CG1-SG 2.82Å; V281-V324 WeakPolarHBondContact CA-O 3.17Å; V281-A325 HydrophobicContact CG2-CB 4.11Å |
| 282 | S | 95 | Very high | 93.2 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 32% | 0.315 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.4 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | V324 | S282-V324 PolarHBondContact N-O 3.07Å; S282-V324 PolarHBondContact O-N 2.91Å |
| 283 | W | 96.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.011 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.2 | 174.2 | -78.5 | 93.4 | 0 | 0 | 0 | 111.6 | M269 F271 P289 V290 L308 Y321 A322 C323 F334 V336 | M269-W283 HydrophobicContact SD-CH2 4.14Å; M269-W283 HydrophobicContact SD-CZ3 4.39Å; F271-W283 AromaticContact CD1-CZ2 3.78Å; F271-W283 HydrophobicContact CD1-CZ2 3.78Å; F271-W283 AromaticContact CE1-CE2 3.87Å; F271-W283 AromaticContact CE1-CZ2 3.57Å; F271-W283 HydrophobicContact CE1-CZ2 3.57Å; F271-W283 AromaticContact CE1-NE1 3.59Å; F271-W283 HydrophobicContact CZ-CZ2 4.28Å; F271-W283 AromaticContact CZ-NE1 3.78Å; W283-P289 WeakPolarHBondContact O-CA 3.45Å; W283-V290 HydrophobicContact CB-CB 3.95Å; W283-V290 HydrophobicContact CB-CG2 4.08Å; W283-V290 PolarHBondContact O-N 3.23Å; W283-L308 HydrophobicContact CD2-CD2 3.82Å; W283-L308 HydrophobicContact CE3-CD2 4.16Å; W283-L308 HydrophobicContact CG-CD2 4.03Å; W283-L308 HydrophobicContact CZ2-CB 4.13Å; W283-L308 HydrophobicContact CZ2-CD2 4.4Å; W283-Y321 HydrophobicContact CE3-CD1 4.24Å; W283-Y321 HydrophobicContact CE3-CG 4.49Å; W283-A322 CarbonylContact C-O 3.58Å; W283-A322 WeakPolarHBondContact CA-O 3.47Å; W283-C323 HydrophobicContact CD2-CB 3.78Å; W283-C323 HydrophobicContact CE3-CB 3.66Å; W283-C323 HydrophobicContact CH2-CB 3.78Å; W283-C323 HydrophobicContact CZ2-CB 3.83Å; W283-C323 HydrophobicContact CZ3-CB 3.66Å; W283-F334 AromaticContact CH2-CE2 3.64Å; W283-F334 HydrophobicContact CH2-CE2 3.64Å; W283-F334 AromaticContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CH2-CZ 3.47Å; W283-F334 VanDerWaalsContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CZ2-CE2 4.48Å; W283-F334 AromaticContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ3-CE2 4.1Å; W283-F334 HydrophobicContact CZ3-CZ 4.23Å; W283-V336 HydrophobicContact CH2-CG1 4.14Å; W283-V336 HydrophobicContact CZ3-CG1 3.94Å |
| 284 | Y | 95.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.5 | 177.7 | -59.2 | -99.7 | 0 | 0 | 0 | 110.5 | R288 P289 Y321 A322 V324 | Y284-R288 CarbonylContact C-O 3.5Å; Y284-R288 WeakPolarHBondContact CA-O 3.42Å; Y284-P289 HydrophobicContact CD1-CB 4.17Å; Y284-P289 HydrophobicContact CE1-CB 4.08Å; Y284-Y321 CarbonylContact O-C 3.59Å; Y284-Y321 VanDerWaalsContact O-CA 3.32Å; Y284-Y321 WeakPolarHBondContact O-CA 3.34Å; Y284-A322 PolarHBondContact N-O 3.4Å; Y284-A322 PolarHBondContact O-N 2.97Å; Y284-V324 HydrophobicContact CD2-CG2 3.9Å; Y284-V324 HydrophobicContact CE2-CB 4.1Å; Y284-V324 HydrophobicContact CE2-CG2 3.69Å |
| 285 | L | 94.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 71 Ų | 71 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.6 | 171.2 | 171.7 | 58.6 | 0 | 0 | 0 | 108.8 | G287 R288 V290 Y321 | L285-G287 PolarHBondContact O-N 3.16Å; L285-G287 VanDerWaalsContact O-N 3.09Å; L285-R288 PolarHBondContact N-O 3.29Å; L285-R288 PolarHBondContact O-N 3.47Å; L285-V290 HydrophobicContact CB-CG2 3.85Å; L285-Y321 HydrophobicContact CB-CD1 4.31Å; L285-Y321 HydrophobicContact CB-CE1 3.97Å; L285-Y321 HydrophobicContact CD1-CD2 4.03Å; L285-Y321 HydrophobicContact CD1-CE1 4.3Å; L285-Y321 HydrophobicContact CD1-CE2 3.65Å; L285-Y321 HydrophobicContact CD1-CG 4.49Å; L285-Y321 HydrophobicContact CG-CE1 4.48Å |
| 286 | N | 88.6 | Confident | 91.1 | Very high | 107 Ų | 107 | 71.6 Ų | 71.6 | 57% | 0.572 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.2 | 179 | -55.5 | -38.6 | 0 | 0 | 0 | 112.7 | A320 | N286-A320 PolarHBondContact N-O 2.82Å; N286-A320 PolarHBondContact OD1-N 2.83Å; N286-A320 VanDerWaalsContact OD1-N 3.13Å |
| 287 | G | 87.6 | Confident | 91 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -0.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L285 | L285-G287 PolarHBondContact O-N 3.16Å; L285-G287 VanDerWaalsContact O-N 3.09Å |
| 288 | R | 92.8 | Very high | 90.9 | Very high | 197 Ų | 197 | 73.2 Ų | 73.2 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.6 | 176.1 | -61.7 | -177 | 179.5 | -171 | -0.3 | 110.9 | Y284 L285 V290 | Y284-R288 CarbonylContact C-O 3.5Å; Y284-R288 WeakPolarHBondContact CA-O 3.42Å; L285-R288 PolarHBondContact N-O 3.29Å; L285-R288 PolarHBondContact O-N 3.47Å; R288-V290 PolarHBondContact O-N 2.87Å |
| 289 | P | 93.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.5 | -179.2 | 26.5 | -34.5 | 0 | 0 | 0 | 111.1 | W283 Y284 | W283-P289 WeakPolarHBondContact O-CA 3.45Å; Y284-P289 HydrophobicContact CD1-CB 4.17Å; Y284-P289 HydrophobicContact CE1-CB 4.08Å |
| 290 | V | 92.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 77 Ų | 77 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 120.6 | 171.1 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | W283 L285 R288 H296 Y321 | W283-V290 HydrophobicContact CB-CB 3.95Å; W283-V290 HydrophobicContact CB-CG2 4.08Å; W283-V290 PolarHBondContact O-N 3.23Å; L285-V290 HydrophobicContact CB-CG2 3.85Å; R288-V290 PolarHBondContact O-N 2.87Å; V290-H296 HydrophobicContact CG1-CB 4.44Å; V290-Y321 HydrophobicContact CG2-CD1 4.13Å; V290-Y321 HydrophobicContact CG2-CE1 3.88Å |
| 291 | Q | 86.8 | Confident | 90.4 | Very high | 151 Ų | 151 | 73.6 Ų | 73.6 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 147.7 | 174.5 | -65.7 | -169.3 | -13.6 | 0 | 0 | 110.2 | D293 | Q291-D293 PolarHBondContact O-N 2.8Š|
| 292 | S | 85.7 | Confident | 89.7 | Confident | 91 Ų | 91 | 82.9 Ų | 82.9 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | trans | -72.3 | 112 | 165.9 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | H296 | S292-H296 CarbonylContact C-O 3.5Å; S292-H296 VanDerWaalsContact CA-O 3.27Å; S292-H296 WeakPolarHBondContact CA-O 3.45Å | ||
| 293 | D | 85.2 | Confident | 89.1 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | trans | -128.3 | -172 | 179.4 | 69.6 | 28 | 0 | 0 | 0 | 110.9 | Q291 L295 H296 | Q291-D293 PolarHBondContact O-N 2.8Å; D293-L295 PolarHBondContact O-N 2.91Å; D293-L295 WeakPolarHBondContact OD1-CA 3.34Å; D293-L295 VanDerWaalsContact OD1-CB 3.3Å; D293-L295 WeakPolarHBondContact OD1-CB 3.27Å; D293-L295 PolarHBondContact OD1-N 3.04Å; D293-H296 PolarHBondContact N-O 2.8Å; D293-H296 WeakPolarHBondContact OD1-CB 3.46Å; D293-H296 IonicContact OD1-CG 3.2Å; D293-H296 PolarHBondContact OD1-N 2.88Å; D293-H296 IonicContact OD1-ND1 3.37Å; D293-H296 PolarHBondContact OD1-ND1 2.88Å; D293-H296 VanDerWaalsContact OD1-ND1 3.09Å; D293-H296 IonicContact OD2-CE1 2.68Å; D293-H296 IonicContact OD2-ND1 3.81Å; D293-H296 PolarHBondContact OD2-ND1 3.26Å; D293-H296 VanDerWaalsContact OD2-ND1 3.1Å | ||
| 294 | D | 80.1 | Confident | 88.5 | Confident | 142 Ų | 142 | 91.8 Ų | 91.8 | 76% | 0.759 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -62.3 | -21.2 | -179.9 | -72.7 | -34.6 | 0 | 0 | 0 | 113.7 | K297 | D294-K297 WeakPolarHBondContact O-CE 3.42Å; D294-K297 PolarHBondContact O-NZ 3.44Å |
| 295 | L | 83.4 | Confident | 88.4 | Confident | 43 Ų | 43 | 89.6 Ų | 89.6 | 23% | 0.225 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -101.8 | -37.6 | -175.9 | -52.8 | 165.1 | 0 | 0 | 0 | 111.4 | D293 F310 E311 R314 | D293-L295 PolarHBondContact O-N 2.91Å; D293-L295 WeakPolarHBondContact OD1-CA 3.34Å; D293-L295 VanDerWaalsContact OD1-CB 3.3Å; D293-L295 WeakPolarHBondContact OD1-CB 3.27Å; D293-L295 PolarHBondContact OD1-N 3.04Å; L295-F310 WeakPolarHBondContact O-CA 3.35Å; L295-E311 PolarHBondContact O-N 2.77Å; L295-R314 VanDerWaalsContact CD1-NH2 3.31Å |
| 296 | H | 90.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 89.3 Ų | 89.3 | 10% | 0.102 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 100.4 | -175.4 | -59.4 | 99.3 | 0 | 0 | 0 | 110.6 | V290 S292 D293 I309 F310 | V290-H296 HydrophobicContact CG1-CB 4.44Å; S292-H296 CarbonylContact C-O 3.5Å; S292-H296 VanDerWaalsContact CA-O 3.27Å; S292-H296 WeakPolarHBondContact CA-O 3.45Å; D293-H296 PolarHBondContact N-O 2.8Å; D293-H296 WeakPolarHBondContact OD1-CB 3.46Å; D293-H296 IonicContact OD1-CG 3.2Å; D293-H296 PolarHBondContact OD1-N 2.88Å; D293-H296 IonicContact OD1-ND1 3.37Å; D293-H296 PolarHBondContact OD1-ND1 2.88Å; D293-H296 VanDerWaalsContact OD1-ND1 3.09Å; D293-H296 IonicContact OD2-CE1 2.68Å; D293-H296 IonicContact OD2-ND1 3.81Å; D293-H296 PolarHBondContact OD2-ND1 3.26Å; D293-H296 VanDerWaalsContact OD2-ND1 3.1Å; H296-I309 CarbonylContact C-O 3.55Å; H296-I309 WeakPolarHBondContact CA-O 3.34Å; H296-F310 AromaticContact CD2-CD1 3.37Å; H296-F310 WeakPolarHBondContact CD2-CD1 3.36Å; H296-F310 AromaticContact CD2-CE1 3.4Å; H296-F310 WeakPolarHBondContact CD2-CE1 3.39Å; H296-F310 AromaticContact NE2-CD1 3.51Å; H296-F310 AromaticContact NE2-CE1 3.55Å |
| 297 | K | 91.4 | Very high | 88.8 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 34% | 0.335 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.1 | -175.5 | -72.5 | 160.6 | -172.1 | 162.7 | 0 | 110.4 | D294 I309 E311 | D294-K297 WeakPolarHBondContact O-CE 3.42Å; D294-K297 PolarHBondContact O-NZ 3.44Å; K297-I309 HydrophobicContact CB-CB 4.24Å; K297-I309 PolarHBondContact N-O 2.91Å; K297-I309 WeakPolarHBondContact O-CB 3.41Å; K297-I309 PolarHBondContact O-N 3.2Å; K297-E311 IonicContact NZ-OE2 3.1Å; K297-E311 PolarHBondContact NZ-OE2 3.04Å |
| 298 | M | 92.9 | Very high | 89.2 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.3 | 171.3 | -71.8 | 173.5 | 54.2 | 0 | 0 | 109.1 | V281 S307 L308 | V281-M298 VanDerWaalsContact O-CE 3.3Å; V281-M298 WeakPolarHBondContact O-CE 3.39Å; M298-S307 WeakPolarHBondContact CA-O 3.46Å; M298-L308 HydrophobicContact CG-CD1 3.73Å |
| 299 | I | 91.6 | Very high | 89.3 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.3 | 180 | 65.5 | 168.9 | 0 | 0 | 0 | 111.7 | H306 S307 I309 | I299-H306 CarbonylContact O-C 3.58Å; I299-H306 WeakPolarHBondContact O-CA 3.35Å; I299-S307 PolarHBondContact N-O 2.78Å; I299-S307 PolarHBondContact O-N 2.88Å; I299-I309 HydrophobicContact CD1-CD1 3.57Å; I299-I309 HydrophobicContact CG1-CD1 3.89Å |
| 300 | V | 91.7 | Very high | 89.4 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.1 | 171.4 | -168.8 | 0 | 0 | 0 | 0 | 108 | H306 | V300-H306 WeakPolarHBondContact CG2-ND1 3.2Å |
| 301 | S | 87.4 | Confident | 89.4 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | trans | -77 | 158.8 | 176.5 | 65 | 0 | 0 | 0 | 0 | 111.8 | K303 G304 L305 | S301-K303 PolarHBondContact O-N 2.87Å; S301-G304 PolarHBondContact O-N 2.86Å; S301-L305 PolarHBondContact N-O 2.87Å; S301-L305 WeakPolarHBondContact OG-CB 3.04Å; S301-L305 PolarHBondContact OG-N 2.85Å; S301-L305 VanDerWaalsContact OG-N 3.11Å; S301-L305 PolarHBondContact OG-O 2.8Å | ||
| 302 | E | 80.8 | Confident | 89.6 | Confident | 209 Ų | 209 | 68.2 Ų | 68.2 | 98% | 0.977 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -18.6 | 175.5 | -58.3 | -176.6 | 159.2 | 0 | 0 | 114 | ||
| 303 | K | 82.8 | Confident | 89.9 | Confident | 201 Ų | 201 | 64 Ų | 64 | 87% | 0.874 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.2 | 179 | -59.4 | -175.5 | -178.6 | -179.5 | 0 | 113.6 | S301 L305 | S301-K303 PolarHBondContact O-N 2.87Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 3.43Å |
| 304 | G | 85 | Confident | 90.2 | Very high | 33 Ų | 33 | 66 Ų | 66 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 71.5 | 17.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S301 H306 | S301-G304 PolarHBondContact O-N 2.86Å; G304-H306 PolarHBondContact O-CD2 2.83Å |
| 305 | L | 92.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | trans | -83.4 | 122.7 | 164.9 | -175 | 74 | 0 | 0 | 0 | 108.6 | D270 K272 S301 K303 | D270-L305 HydrophobicContact CB-CD1 4.2Å; D270-L305 HydrophobicContact CB-CD2 4.45Å; K272-L305 HydrophobicContact CD-CD1 4.35Å; K272-L305 HydrophobicContact CG-CD1 3.69Å; S301-L305 PolarHBondContact N-O 2.87Å; S301-L305 WeakPolarHBondContact OG-CB 3.04Å; S301-L305 PolarHBondContact OG-N 2.85Å; S301-L305 VanDerWaalsContact OG-N 3.11Å; S301-L305 PolarHBondContact OG-O 2.8Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 3.43Å | ||
| 306 | H | 95.6 | Very high | 91.1 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 147.1 | 173.8 | -62.5 | -120.2 | 0 | 0 | 0 | 109.4 | D270 F271 I299 V300 G304 | D270-H306 WeakPolarHBondContact CA-O 3.32Å; F271-H306 HydrophobicContact CD1-CB 3.91Å; F271-H306 HydrophobicContact CD2-CB 3.94Å; F271-H306 HydrophobicContact CE1-CB 3.46Å; F271-H306 VanDerWaalsContact CE1-CB 3.46Å; F271-H306 HydrophobicContact CE2-CB 3.5Å; F271-H306 AromaticContact CE2-CG 3.83Å; F271-H306 HydrophobicContact CG-CB 4.12Å; F271-H306 HydrophobicContact CZ-CB 3.25Å; F271-H306 AromaticContact CZ-CG 3.91Å; F271-H306 PolarHBondContact N-O 2.92Å; F271-H306 PolarHBondContact O-N 2.92Å; I299-H306 CarbonylContact O-C 3.58Å; I299-H306 WeakPolarHBondContact O-CA 3.35Å; V300-H306 WeakPolarHBondContact CG2-ND1 3.2Å; G304-H306 PolarHBondContact O-CD2 2.83Å |
| 307 | S | 95.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.9 | -178.5 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | R268 M269 D270 M298 I299 | R268-S307 PolarHBondContact NE-OG 3.2Å; R268-S307 PolarHBondContact NH2-OG 3.31Å; M269-S307 VanDerWaalsContact O-CA 3.32Å; M269-S307 WeakPolarHBondContact O-CA 3.5Å; D270-S307 WeakPolarHBondContact OD1-CB 3.19Å; D270-S307 PolarHBondContact OD1-OG 2.99Å; M298-S307 WeakPolarHBondContact CA-O 3.46Å; I299-S307 PolarHBondContact N-O 2.78Å; I299-S307 PolarHBondContact O-N 2.88Å |
| 308 | L | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.4 | 160 | 174.8 | 64.2 | 0 | 0 | 0 | 107.9 | R268 M269 W283 M298 F310 Y321 | R268-L308 WeakPolarHBondContact CA-O 3.47Å; M269-L308 HydrophobicContact CB-CB 4.32Å; M269-L308 PolarHBondContact N-O 3.25Å; M269-L308 PolarHBondContact O-N 3.03Å; M269-L308 HydrophobicContact SD-CD2 4.1Å; W283-L308 HydrophobicContact CD2-CD2 3.82Å; W283-L308 HydrophobicContact CE3-CD2 4.16Å; W283-L308 HydrophobicContact CG-CD2 4.03Å; W283-L308 HydrophobicContact CZ2-CB 4.13Å; W283-L308 HydrophobicContact CZ2-CD2 4.4Å; M298-L308 HydrophobicContact CG-CD1 3.73Å; L308-F310 HydrophobicContact CD2-CE2 3.95Å; L308-F310 HydrophobicContact CD2-CZ 3.88Å; L308-F310 HydrophobicContact CG-CE2 3.85Å; L308-F310 HydrophobicContact CG-CZ 4.17Å; L308-Y321 HydrophobicContact CD2-CD1 4.04Å; L308-Y321 HydrophobicContact CD2-CE1 4.19Å |
| 309 | I | 95.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.8 | -172.8 | -65.5 | 171.7 | 0 | 0 | 0 | 109.5 | F266 C267 R268 H296 K297 I299 | F266-I309 HydrophobicContact CD2-CG2 4.37Å; F266-I309 HydrophobicContact CE2-CG2 3.39Å; F266-I309 HydrophobicContact CZ-CG2 3.68Å; C267-I309 WeakPolarHBondContact O-CA 3.29Å; R268-I309 HydrophobicContact CB-CG1 4.26Å; R268-I309 HydrophobicContact CG-CG1 3.93Å; H296-I309 CarbonylContact C-O 3.55Å; H296-I309 WeakPolarHBondContact CA-O 3.34Å; K297-I309 HydrophobicContact CB-CB 4.24Å; K297-I309 PolarHBondContact N-O 2.91Å; K297-I309 WeakPolarHBondContact O-CB 3.41Å; K297-I309 PolarHBondContact O-N 3.2Å; I299-I309 HydrophobicContact CD1-CD1 3.57Å; I299-I309 HydrophobicContact CG1-CD1 3.89Å |
| 310 | F | 94.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.8 | 171.5 | -51.3 | -112.3 | 0 | 0 | 0 | 107.4 | C267 M269 L295 H296 L308 V312 V313 D317 Y321 L338 | C267-F310 HydrophobicContact CB-CB 3.99Å; C267-F310 HydrophobicContact CB-CD2 3.91Å; C267-F310 HydrophobicContact CB-CG 4.23Å; C267-F310 PolarHBondContact N-O 2.83Å; C267-F310 PolarHBondContact O-N 2.94Å; C267-F310 WeakPolarHBondContact SG-CD2 3.42Å; M269-F310 HydrophobicContact CE-CE2 3.87Å; M269-F310 HydrophobicContact CE-CZ 4.13Å; M269-F310 HydrophobicContact SD-CE2 4.15Å; L295-F310 WeakPolarHBondContact O-CA 3.35Å; H296-F310 AromaticContact CD2-CD1 3.37Å; H296-F310 WeakPolarHBondContact CD2-CD1 3.36Å; H296-F310 AromaticContact CD2-CE1 3.4Å; H296-F310 WeakPolarHBondContact CD2-CE1 3.39Å; H296-F310 AromaticContact NE2-CD1 3.51Å; H296-F310 AromaticContact NE2-CE1 3.55Å; L308-F310 HydrophobicContact CD2-CE2 3.95Å; L308-F310 HydrophobicContact CD2-CZ 3.88Å; L308-F310 HydrophobicContact CG-CE2 3.85Å; L308-F310 HydrophobicContact CG-CZ 4.17Å; F310-V312 VanDerWaalsContact C-N 3.34Å; F310-V313 HydrophobicContact CB-CG2 3.83Å; F310-V313 HydrophobicContact CG-CG2 4.3Å; F310-D317 HydrophobicContact CD1-CB 4.27Å; F310-D317 HydrophobicContact CE1-CB 4.1Å; F310-Y321 HydrophobicContact CE1-CE1 4.24Å; F310-Y321 AromaticContact CE1-CZ 3.86Å; F310-Y321 VanDerWaalsContact CE1-OH 3.27Å; F310-Y321 WeakPolarHBondContact CE1-OH 3.2Å; F310-Y321 AromaticContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE2 4.28Å; F310-Y321 AromaticContact CZ-CZ 3.61Å; F310-L338 HydrophobicContact CE1-CD2 4.27Å; F310-L338 HydrophobicContact CE2-CD2 4.35Å; F310-L338 HydrophobicContact CZ-CD2 4.02Å |
| 311 | E | 91.9 | Very high | 92 | Very high | 104 Ų | 104 | 52.4 Ų | 52.4 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -67.6 | -39.4 | 179.9 | -169.4 | 166.1 | 142.5 | 0 | 0 | 111.5 | L295 K297 | L295-E311 PolarHBondContact O-N 2.77Å; K297-E311 IonicContact NZ-OE2 3.1Å; K297-E311 PolarHBondContact NZ-OE2 3.04Å |
| 312 | V | 91.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -144.2 | 104.3 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | R265 F310 | R265-V312 WeakPolarHBondContact O-CA 3.42Å; F310-V312 VanDerWaalsContact C-N 3.34Å |
| 313 | V | 93.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | trans | -64 | 136.4 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | I261 G264 R265 C267 F310 V340 | I261-V313 HydrophobicContact CG2-CB 4.47Å; I261-V313 HydrophobicContact CG2-CG2 4.19Å; G264-V313 PolarHBondContact N-O 2.77Å; R265-V313 WeakPolarHBondContact O-CG2 3.14Å; R265-V313 PolarHBondContact O-N 3.32Å; C267-V313 HydrophobicContact CB-CG2 3.31Å; F310-V313 HydrophobicContact CB-CG2 3.83Å; F310-V313 HydrophobicContact CG-CG2 4.3Å; V313-V340 HydrophobicContact CG1-CB 4.22Å; V313-V340 HydrophobicContact CG1-CG1 3.73Å; V313-V340 HydrophobicContact CG1-CG2 3.43Å; V313-V340 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 314 | R | 91.6 | Very high | 93.9 | Very high | 117 Ų | 117 | 32.9 Ų | 32.9 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | trans | -120.4 | 159.3 | 178.3 | -60.9 | 173 | 177.1 | -179.4 | -0.6 | 110.9 | L295 S316 D317 | L295-R314 VanDerWaalsContact CD1-NH2 3.31Å; R314-S316 WeakPolarHBondContact CB-OG 3.45Å; R314-S316 PolarHBondContact O-N 2.95Å; R314-S316 VanDerWaalsContact O-N 3.07Å; R314-D317 WeakPolarHBondContact CB-OD2 3.33Å; R314-D317 PolarHBondContact N-OD2 2.97Å; R314-D317 WeakPolarHBondContact O-CB 3.34Å; R314-D317 PolarHBondContact O-N 3.19Å | ||
| 315 | A | 90.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 49% | 0.488 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -56.4 | -23.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | E263 D317 | E263-A315 WeakPolarHBondContact OE1-CB 3.42Å; E263-A315 PolarHBondContact OE1-N 2.77Å; A315-D317 PolarHBondContact O-N 3.14Å |
| 316 | S | 91.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 57% | 0.566 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -67.5 | -20.2 | 173.2 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | R314 A318 | R314-S316 WeakPolarHBondContact CB-OG 3.45Å; R314-S316 PolarHBondContact O-N 2.95Å; R314-S316 VanDerWaalsContact O-N 3.07Å; S316-A318 VanDerWaalsContact C-N 3.31Å |
| 317 | D | 92.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -95.1 | 4 | -170.2 | -42.9 | -16.3 | 0 | 0 | 0 | 110.3 | F310 R314 A315 Y321 L338 | F310-D317 HydrophobicContact CD1-CB 4.27Å; F310-D317 HydrophobicContact CE1-CB 4.1Å; R314-D317 WeakPolarHBondContact CB-OD2 3.33Å; R314-D317 PolarHBondContact N-OD2 2.97Å; R314-D317 WeakPolarHBondContact O-CB 3.34Å; R314-D317 PolarHBondContact O-N 3.19Å; A315-D317 PolarHBondContact O-N 3.14Å; D317-Y321 VanDerWaalsContact O-CE2 3.26Å; D317-Y321 WeakPolarHBondContact O-CE2 3.37Å; D317-Y321 PolarHBondContact O-OH 2.93Å; D317-L338 WeakPolarHBondContact O-CD2 3.46Å |
| 318 | A | 94.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | trans | -75.5 | 138.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S316 L338 V340 | S316-A318 VanDerWaalsContact C-N 3.31Å; A318-L338 CarbonylContact C-O 3.53Å; A318-L338 WeakPolarHBondContact CA-O 3.35Å; A318-V340 HydrophobicContact CB-CB 4.06Å; A318-V340 HydrophobicContact CB-CG2 3.84Å | ||
| 319 | G | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -167.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q337 L338 | G319-Q337 PolarHBondContact O-OE1 2.85Å; G319-L338 PolarHBondContact N-O 2.94Å; G319-L338 PolarHBondContact O-N 2.91Å |
| 320 | A | 96.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | N286 | N286-A320 PolarHBondContact N-O 2.82Å; N286-A320 PolarHBondContact OD1-N 2.83Å; N286-A320 VanDerWaalsContact OD1-N 3.13Å |
| 321 | Y | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.1 | 173.6 | -75.9 | -96.5 | 0 | 0 | 0 | 110 | M269 W283 Y284 L285 V290 L308 F310 D317 T335 V336 L338 | M269-Y321 HydrophobicContact CE-CD2 4.1Å; M269-Y321 HydrophobicContact CE-CE2 4.38Å; M269-Y321 HydrophobicContact CE-CG 4.43Å; W283-Y321 HydrophobicContact CE3-CD1 4.24Å; W283-Y321 HydrophobicContact CE3-CG 4.49Å; Y284-Y321 CarbonylContact O-C 3.59Å; Y284-Y321 VanDerWaalsContact O-CA 3.32Å; Y284-Y321 WeakPolarHBondContact O-CA 3.34Å; L285-Y321 HydrophobicContact CB-CD1 4.31Å; L285-Y321 HydrophobicContact CB-CE1 3.97Å; L285-Y321 HydrophobicContact CD1-CD2 4.03Å; L285-Y321 HydrophobicContact CD1-CE1 4.3Å; L285-Y321 HydrophobicContact CD1-CE2 3.65Å; L285-Y321 HydrophobicContact CD1-CG 4.49Å; L285-Y321 HydrophobicContact CG-CE1 4.48Å; V290-Y321 HydrophobicContact CG2-CD1 4.13Å; V290-Y321 HydrophobicContact CG2-CE1 3.88Å; L308-Y321 HydrophobicContact CD2-CD1 4.04Å; L308-Y321 HydrophobicContact CD2-CE1 4.19Å; F310-Y321 HydrophobicContact CE1-CE1 4.24Å; F310-Y321 AromaticContact CE1-CZ 3.86Å; F310-Y321 VanDerWaalsContact CE1-OH 3.27Å; F310-Y321 WeakPolarHBondContact CE1-OH 3.2Å; F310-Y321 AromaticContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE2 4.28Å; F310-Y321 AromaticContact CZ-CZ 3.61Å; D317-Y321 VanDerWaalsContact O-CE2 3.26Å; D317-Y321 WeakPolarHBondContact O-CE2 3.37Å; D317-Y321 PolarHBondContact O-OH 2.93Å; Y321-T335 CarbonylContact O-C 3.54Å; Y321-T335 VanDerWaalsContact O-CA 3.27Å; Y321-T335 WeakPolarHBondContact O-CA 3.46Å; Y321-V336 PolarHBondContact N-O 2.91Å; Y321-V336 PolarHBondContact O-N 3.37Å; Y321-L338 HydrophobicContact CD2-CB 4.01Å; Y321-L338 HydrophobicContact CE2-CB 3.84Å; Y321-L338 HydrophobicContact CE2-CD2 3.95Å; Y321-L338 HydrophobicContact CE2-CG 4.46Å |
| 322 | A | 97.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | W283 Y284 T333 F334 T335 | W283-A322 CarbonylContact C-O 3.58Å; W283-A322 WeakPolarHBondContact CA-O 3.47Å; Y284-A322 PolarHBondContact N-O 3.4Å; Y284-A322 PolarHBondContact O-N 2.97Å; A322-T333 HydrophobicContact CB-CG2 4.4Å; A322-F334 CarbonylContact C-O 3.37Å; A322-F334 WeakPolarHBondContact CA-O 3.35Å; A322-T335 HydrophobicContact CB-CG2 3.97Å |
| 323 | C | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.2 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V281 W283 T333 F334 | V281-C323 WeakPolarHBondContact CG1-SG 2.82Å; W283-C323 HydrophobicContact CD2-CB 3.78Å; W283-C323 HydrophobicContact CE3-CB 3.66Å; W283-C323 HydrophobicContact CH2-CB 3.78Å; W283-C323 HydrophobicContact CZ2-CB 3.83Å; W283-C323 HydrophobicContact CZ3-CB 3.66Å; C323-T333 VanDerWaalsContact O-CA 3.26Å; C323-T333 WeakPolarHBondContact O-CA 3.41Å; C323-F334 HydrophobicContact CB-CD1 3.77Å; C323-F334 HydrophobicContact CB-CD2 4.36Å; C323-F334 HydrophobicContact CB-CE1 3.34Å; C323-F334 HydrophobicContact CB-CE2 3.96Å; C323-F334 HydrophobicContact CB-CG 4.27Å; C323-F334 HydrophobicContact CB-CZ 3.44Å; C323-F334 VanDerWaalsContact CB-CZ 3.44Å; C323-F334 PolarHBondContact N-O 2.81Å; C323-F334 PolarHBondContact O-N 2.9Å |
| 324 | V | 97.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.9 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | V281 S282 Y284 E331 T333 | V281-V324 WeakPolarHBondContact CA-O 3.17Å; S282-V324 PolarHBondContact N-O 3.07Å; S282-V324 PolarHBondContact O-N 2.91Å; Y284-V324 HydrophobicContact CD2-CG2 3.9Å; Y284-V324 HydrophobicContact CE2-CB 4.1Å; Y284-V324 HydrophobicContact CE2-CG2 3.69Å; V324-E331 HydrophobicContact CG1-CG 3.62Å; V324-T333 HydrophobicContact CG2-CG2 3.98Å |
| 325 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | P250 F252 V273 P279 D280 V281 E331 A332 | P250-A325 HydrophobicContact CB-CB 3.93Å; P250-A325 WeakPolarHBondContact CG-O 3.4Å; F252-A325 HydrophobicContact CE1-CB 4.06Å; F252-A325 HydrophobicContact CE2-CB 4.28Å; F252-A325 HydrophobicContact CZ-CB 3.56Å; V273-A325 HydrophobicContact CG2-CB 3.8Å; P279-A325 HydrophobicContact CB-CB 4.19Å; D280-A325 CarbonylContact O-C 3.58Å; D280-A325 VanDerWaalsContact O-CA 3.28Å; D280-A325 WeakPolarHBondContact O-CA 3.48Å; V281-A325 HydrophobicContact CG2-CB 4.11Å; A325-E331 CarbonylContact O-C 3.6Å; A325-E331 VanDerWaalsContact O-CA 3.31Å; A325-E331 WeakPolarHBondContact O-CA 3.15Å; A325-A332 PolarHBondContact N-O 3.14Å; A325-A332 PolarHBondContact O-N 2.99Å |
| 326 | R | 97.8 | Very high | 96.4 | Very high | 159 Ų | 159 | 46 Ų | 46 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.3 | -171.3 | -169.1 | 179.5 | 177.3 | 116.7 | -7.9 | 112.4 | P279 D280 E331 | P279-R326 CarbonylContact C-O 3.56Å; P279-R326 VanDerWaalsContact CA-O 3.3Å; P279-R326 WeakPolarHBondContact CA-O 3.1Å; D280-R326 PolarHBondContact N-O 3.03Å; D280-R326 PolarHBondContact O-N 3.01Å; R326-E331 HydrophobicContact CB-CG 4.3Å; R326-E331 WeakPolarHBondContact CD-OE2 3.34Å; R326-E331 HydrophobicContact CG-CB 4.42Å; R326-E331 HydrophobicContact CG-CG 4.41Å; R326-E331 IonicContact CZ-OE2 2.66Å; R326-E331 IonicContact NE-OE2 2.75Å; R326-E331 IonicContact NH1-OE2 3.7Å; R326-E331 PolarHBondContact NH1-OE2 2.98Å |
| 327 | N | 96.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | -178 | 167.7 | 75 | 10.4 | 0 | 0 | 0 | 110.7 | Y248 P250 L276 P277 P279 A329 G330 | Y248-N327 PolarHBondContact O-ND2 2.76Å; P250-N327 WeakPolarHBondContact CD-OD1 3.41Å; P250-N327 HydrophobicContact CG-CB 4.29Å; L276-N327 PolarHBondContact N-ND2 2.85Å; P277-N327 WeakPolarHBondContact O-CB 3.18Å; P277-N327 PolarHBondContact O-ND2 2.89Å; P279-N327 HydrophobicContact CB-CB 4.44Å; N327-A329 PolarHBondContact O-N 3.21Å; N327-A329 VanDerWaalsContact O-N 3.15Å; N327-A329 WeakPolarHBondContact OD1-CA 3.33Å; N327-A329 WeakPolarHBondContact OD1-CB 3.39Å; N327-A329 PolarHBondContact OD1-N 3.11Å; N327-G330 PolarHBondContact N-O 3.13Å; N327-G330 PolarHBondContact O-N 3.1Å; N327-G330 PolarHBondContact OD1-N 3.09Å; N327-G330 VanDerWaalsContact OD1-N 3.09Å |
| 328 | R | 96.1 | Very high | 96.8 | Very high | 162 Ų | 162 | 44.7 Ų | 44.7 | 61% | 0.611 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.9 | 179.4 | 64.6 | 169.1 | 167.1 | -132.6 | -2.9 | 115.2 | E245 F247 P277 | E245-R328 IonicContact OE2-NH2 3.75Å; F247-R328 VanDerWaalsContact CE2-NE 3.34Å; F247-R328 VanDerWaalsContact CZ-CZ 3.44Å; P277-R328 HydrophobicContact CG-CG 3.91Å |
| 329 | A | 94.7 | Very high | 96.9 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -10.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F247 N327 | F247-A329 HydrophobicContact CB-CB 3.91Å; N327-A329 PolarHBondContact O-N 3.21Å; N327-A329 VanDerWaalsContact O-N 3.15Å; N327-A329 WeakPolarHBondContact OD1-CA 3.33Å; N327-A329 WeakPolarHBondContact OD1-CB 3.39Å; N327-A329 PolarHBondContact OD1-N 3.11Å |
| 330 | G | 96.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -163.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P250 N327 | P250-G330 WeakPolarHBondContact CD-O 3.45Å; P250-G330 WeakPolarHBondContact CG-O 3.49Å; N327-G330 PolarHBondContact N-O 3.13Å; N327-G330 PolarHBondContact O-N 3.1Å; N327-G330 PolarHBondContact OD1-N 3.09Å; N327-G330 VanDerWaalsContact OD1-N 3.09Å |
| 331 | E | 98 | Very high | 96.5 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.3 | -177.6 | -170.2 | 170.8 | 103.9 | 0 | 0 | 109.7 | V324 A325 R326 | V324-E331 HydrophobicContact CG1-CG 3.62Å; A325-E331 CarbonylContact O-C 3.6Å; A325-E331 VanDerWaalsContact O-CA 3.31Å; A325-E331 WeakPolarHBondContact O-CA 3.15Å; R326-E331 HydrophobicContact CB-CG 4.3Å; R326-E331 WeakPolarHBondContact CD-OE2 3.34Å; R326-E331 HydrophobicContact CG-CB 4.42Å; R326-E331 HydrophobicContact CG-CG 4.41Å; R326-E331 IonicContact CZ-OE2 2.66Å; R326-E331 IonicContact NE-OE2 2.75Å; R326-E331 IonicContact NH1-OE2 3.7Å; R326-E331 PolarHBondContact NH1-OE2 2.98Å |
| 332 | A | 97.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P250 F252 A325 | P250-A332 HydrophobicContact CB-CB 4.16Å; P250-A332 WeakPolarHBondContact O-CB 3.42Å; F252-A332 HydrophobicContact CD2-CB 4.08Å; F252-A332 HydrophobicContact CE2-CB 3.87Å; F252-A332 WeakPolarHBondContact CE2-O 3.26Å; A325-A332 PolarHBondContact N-O 3.14Å; A325-A332 PolarHBondContact O-N 2.99Å |
| 333 | T | 98 | Very high | 94.5 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.1 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 111 | A322 C323 V324 | A322-T333 HydrophobicContact CB-CG2 4.4Å; C323-T333 VanDerWaalsContact O-CA 3.26Å; C323-T333 WeakPolarHBondContact O-CA 3.41Å; V324-T333 HydrophobicContact CG2-CG2 3.98Å |
| 334 | F | 97.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.1 | 160.9 | 76.3 | -98.6 | 0 | 0 | 0 | 110.7 | F252 V255 P256 F271 W283 A322 C323 V336 | F252-F334 AromaticContact CD1-CD1 3.62Å; F252-F334 HydrophobicContact CD1-CD1 3.62Å; F252-F334 AromaticContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD2-CB 4.42Å; F252-F334 AromaticContact CD2-CD1 3.76Å; F252-F334 HydrophobicContact CD2-CD1 3.76Å; F252-F334 AromaticContact CE1-CD1 3.56Å; F252-F334 HydrophobicContact CE1-CD1 3.56Å; F252-F334 AromaticContact CE1-CE1 3.53Å; F252-F334 HydrophobicContact CE1-CE1 3.53Å; F252-F334 AromaticContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CE1 4.47Å; F252-F334 AromaticContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CE1 4.28Å; F252-F334 AromaticContact CZ-CD1 3.6Å; F252-F334 HydrophobicContact CZ-CD1 3.6Å; F252-F334 AromaticContact CZ-CE1 3.94Å; F252-F334 HydrophobicContact CZ-CE1 3.94Å; V255-F334 HydrophobicContact CB-CD1 4.33Å; V255-F334 HydrophobicContact CB-CD2 4.1Å; V255-F334 HydrophobicContact CB-CE1 4.49Å; V255-F334 HydrophobicContact CB-CE2 4.31Å; V255-F334 HydrophobicContact CB-CG 4.14Å; V255-F334 HydrophobicContact CB-CZ 4.49Å; V255-F334 HydrophobicContact CG1-CB 3.97Å; V255-F334 HydrophobicContact CG1-CD1 3.52Å; V255-F334 HydrophobicContact CG1-CD2 4.09Å; V255-F334 HydrophobicContact CG1-CE1 3.94Å; V255-F334 HydrophobicContact CG1-CE2 4.49Å; V255-F334 HydrophobicContact CG1-CG 3.6Å; V255-F334 HydrophobicContact CG1-CZ 4.41Å; P256-F334 HydrophobicContact CG-CE2 3.83Å; P256-F334 HydrophobicContact CG-CZ 4.18Å; F271-F334 HydrophobicContact CB-CE1 4.04Å; F271-F334 HydrophobicContact CB-CZ 4.01Å; F271-F334 HydrophobicContact CD1-CZ 4.41Å; F271-F334 AromaticContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CZ 4.46Å; F271-F334 HydrophobicContact CG-CE1 4.02Å; F271-F334 HydrophobicContact CG-CZ 4.06Å; W283-F334 AromaticContact CH2-CE2 3.64Å; W283-F334 HydrophobicContact CH2-CE2 3.64Å; W283-F334 AromaticContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CH2-CZ 3.47Å; W283-F334 VanDerWaalsContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CZ2-CE2 4.48Å; W283-F334 AromaticContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ3-CE2 4.1Å; W283-F334 HydrophobicContact CZ3-CZ 4.23Å; A322-F334 CarbonylContact C-O 3.37Å; A322-F334 WeakPolarHBondContact CA-O 3.35Å; C323-F334 HydrophobicContact CB-CD1 3.77Å; C323-F334 HydrophobicContact CB-CD2 4.36Å; C323-F334 HydrophobicContact CB-CE1 3.34Å; C323-F334 HydrophobicContact CB-CE2 3.96Å; C323-F334 HydrophobicContact CB-CG 4.27Å; C323-F334 HydrophobicContact CB-CZ 3.44Å; C323-F334 VanDerWaalsContact CB-CZ 3.44Å; C323-F334 PolarHBondContact N-O 2.81Å; C323-F334 PolarHBondContact O-N 2.9Å; F334-V336 HydrophobicContact CE2-CB 4.45Å; F334-V336 HydrophobicContact CE2-CG1 4.25Å |
| 335 | T | 97.3 | Very high | 92.1 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.7 | 175.4 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | Y321 A322 | Y321-T335 CarbonylContact O-C 3.54Å; Y321-T335 VanDerWaalsContact O-CA 3.27Å; Y321-T335 WeakPolarHBondContact O-CA 3.46Å; A322-T335 HydrophobicContact CB-CG2 3.97Å |
| 336 | V | 97.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.5 | 174.2 | 64.2 | 0 | 0 | 0 | 0 | 109.9 | P256 E257 M269 W283 Y321 F334 | P256-V336 HydrophobicContact CB-CG2 4.43Å; P256-V336 HydrophobicContact CG-CB 4.22Å; P256-V336 HydrophobicContact CG-CG1 4.14Å; P256-V336 HydrophobicContact CG-CG2 4.17Å; E257-V336 WeakPolarHBondContact O-CG2 3.27Å; M269-V336 HydrophobicContact CE-CG1 4.45Å; M269-V336 HydrophobicContact SD-CG1 3.97Å; W283-V336 HydrophobicContact CH2-CG1 4.14Å; W283-V336 HydrophobicContact CZ3-CG1 3.94Å; Y321-V336 PolarHBondContact N-O 2.91Å; Y321-V336 PolarHBondContact O-N 3.37Å; F334-V336 HydrophobicContact CE2-CB 4.45Å; F334-V336 HydrophobicContact CE2-CG1 4.25Å |
| 337 | Q | 96.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.8 | 176.4 | -178.6 | 65.9 | 18.4 | 0 | 0 | 110.3 | N258 M259 G319 D339 | N258-Q337 WeakPolarHBondContact CA-O 3.3Å; N258-Q337 HydrophobicContact CB-CB 4.17Å; N258-Q337 PolarHBondContact OD1-N 2.95Å; M259-Q337 PolarHBondContact N-O 3.25Å; G319-Q337 PolarHBondContact O-OE1 2.85Å; Q337-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q337-D339 PolarHBondContact NE2-OD1 2.87Å |
| 338 | L | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.9 | 167.2 | 174.6 | 55.4 | 0 | 0 | 0 | 109.5 | M259 I261 M269 F310 D317 A318 G319 Y321 V340 | M259-L338 HydrophobicContact CE-CD1 3.89Å; M259-L338 HydrophobicContact CG-CD1 4.27Å; M259-L338 WeakPolarHBondContact O-CA 3.37Å; I261-L338 HydrophobicContact CB-CD1 4.45Å; I261-L338 HydrophobicContact CD1-CD1 4.38Å; I261-L338 HydrophobicContact CG1-CD1 4.4Å; M269-L338 HydrophobicContact CE-CB 3.79Å; M269-L338 HydrophobicContact CE-CD2 3.81Å; M269-L338 HydrophobicContact CE-CG 4.26Å; F310-L338 HydrophobicContact CE1-CD2 4.27Å; F310-L338 HydrophobicContact CE2-CD2 4.35Å; F310-L338 HydrophobicContact CZ-CD2 4.02Å; D317-L338 WeakPolarHBondContact O-CD2 3.46Å; A318-L338 CarbonylContact C-O 3.53Å; A318-L338 WeakPolarHBondContact CA-O 3.35Å; G319-L338 PolarHBondContact N-O 2.94Å; G319-L338 PolarHBondContact O-N 2.91Å; Y321-L338 HydrophobicContact CD2-CB 4.01Å; Y321-L338 HydrophobicContact CE2-CB 3.84Å; Y321-L338 HydrophobicContact CE2-CD2 3.95Å; Y321-L338 HydrophobicContact CE2-CG 4.46Å; L338-V340 HydrophobicContact CG-CG2 4.18Å |
| 339 | D | 95.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 67 Ų | 67 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.5 | 173.6 | -62.9 | -38.4 | 0 | 0 | 0 | 109.6 | M259 S260 I261 Q337 | M259-D339 PolarHBondContact O-N 2.82Å; S260-D339 CarbonylContact C-O 3.59Å; S260-D339 VanDerWaalsContact CA-O 3.25Å; S260-D339 WeakPolarHBondContact CA-O 3.43Å; I261-D339 PolarHBondContact N-O 2.78Å; Q337-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q337-D339 PolarHBondContact NE2-OD1 2.87Å |
| 340 | V | 94.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 70.9 Ų | 70.9 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.6 | 179.1 | -177 | 0 | 0 | 0 | 0 | 109.5 | I261 E263 V313 A318 L338 A342 | I261-V340 CarbonylContact O-C 3.59Å; I261-V340 WeakPolarHBondContact O-CA 3.22Å; E263-V340 HydrophobicContact CB-CG1 3.91Å; E263-V340 HydrophobicContact CG-CG1 4.36Å; V313-V340 HydrophobicContact CG1-CB 4.22Å; V313-V340 HydrophobicContact CG1-CG1 3.73Å; V313-V340 HydrophobicContact CG1-CG2 3.43Å; V313-V340 VanDerWaalsContact CG1-CG2 3.43Å; A318-V340 HydrophobicContact CB-CB 4.06Å; A318-V340 HydrophobicContact CB-CG2 3.84Å; L338-V340 HydrophobicContact CG-CG2 4.18Å; V340-A342 PolarHBondContact O-N 2.79Å |
| 341 | L | 90.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 110.4 | 175.7 | -59.3 | 179.4 | 0 | 0 | 0 | 108.4 | S260 I261 E263 K343 | S260-L341 WeakPolarHBondContact OG-CD2 3.27Å; S260-L341 WeakPolarHBondContact OG-CG 3.28Å; I261-L341 PolarHBondContact O-N 3.4Å; E263-L341 PolarHBondContact N-O 3.19Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-K343 VanDerWaalsContact O-N 3.14Å |
| 342 | A | 80.8 | Confident | 91.3 | Very high | 79 Ų | 79 | 70.2 Ų | 70.2 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | trans | -54.3 | 121.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V340 E344 | V340-A342 PolarHBondContact O-N 2.79Å; A342-E344 PolarHBondContact O-N 3.09Å | ||
| 343 | K | 71.4 | Confident | 91.2 | Very high | 132 Ų | 132 | 76.5 Ų | 76.5 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | trans | -68.5 | 109.3 | -177.4 | 178.9 | 176.9 | -176 | 172.9 | 0 | 108.9 | E263 L341 H345 | E263-K343 HydrophobicContact CB-CB 4.01Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-K343 VanDerWaalsContact O-N 3.14Å; K343-H345 PolarHBondContact O-N 3Å; K343-H345 PolarHBondContact O-ND1 2.76Å | ||
| 344 | E | 70.9 | Confident | 91.2 | Very high | 138 Ų | 138 | 79.7 Ų | 79.7 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | trans | -46.3 | 120.1 | 175.5 | -71.4 | -167.9 | 140 | 0 | 0 | 109.9 | A342 K346 | A342-E344 PolarHBondContact O-N 3.09Å; E344-K346 HydrophobicContact CB-CG 4.11Å; E344-K346 PolarHBondContact O-N 2.78Å; E344-K346 WeakPolarHBondContact OE2-CE 3.5Å; E344-K346 IonicContact OE2-NZ 3.21Å; E344-K346 PolarHBondContact OE2-NZ 2.98Å | ||
| 345 | H | 73.6 | Confident | 91.1 | Very high | 142 Ų | 142 | 79 Ų | 79 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | trans | -77.2 | 65.9 | -175.5 | -74.7 | 9.7 | 0 | 0 | 0 | 110.9 | K343 R347 I375 | K343-H345 PolarHBondContact O-N 3Å; K343-H345 PolarHBondContact O-ND1 2.76Å; H345-R347 PolarHBondContact O-N 2.62Å; H345-I375 WeakPolarHBondContact O-CB 3.43Å; H345-I375 WeakPolarHBondContact O-CG2 3.32Å | ||
| 346 | K | 86.4 | Confident | 91 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 41% | 0.409 | 39% | 0.394 | S | S | . | . | trans | -64.7 | 120.7 | 178.4 | -60.4 | -178.7 | -177.2 | -145.6 | 0 | 109.1 | E344 I375 E428 A429 | E344-K346 HydrophobicContact CB-CG 4.11Å; E344-K346 PolarHBondContact O-N 2.78Å; E344-K346 WeakPolarHBondContact OE2-CE 3.5Å; E344-K346 IonicContact OE2-NZ 3.21Å; E344-K346 PolarHBondContact OE2-NZ 2.98Å; K346-I375 CarbonylContact C-O 3.57Å; K346-I375 WeakPolarHBondContact CA-O 3.38Å; K346-E428 HydrophobicContact CD-CG 4.3Å; K346-E428 WeakPolarHBondContact CD-OE1 3.42Å; K346-E428 WeakPolarHBondContact CE-OE1 3.38Å; K346-E428 IonicContact NZ-OE1 3.77Å; K346-E428 PolarHBondContact NZ-OE1 2.85Å; K346-E428 IonicContact NZ-OE2 2.79Å; K346-E428 PolarHBondContact NZ-OE2 3.18Å; K346-A429 HydrophobicContact CB-CB 4.1Å | ||
| 347 | R | 91 | Very high | 91 | Very high | 129 Ų | 129 | 84.8 Ų | 84.8 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.5 | -176.4 | 179 | 170.6 | 61.3 | 177.7 | -1.8 | 109 | H345 S373 I375 N427 | H345-R347 PolarHBondContact O-N 2.62Å; R347-S373 PolarHBondContact NE-OG 2.98Å; R347-S373 PolarHBondContact NH1-OG 2.83Å; R347-S373 PolarHBondContact NH2-OG 2.86Å; R347-S373 VanDerWaalsContact NH2-OG 3.16Å; R347-I375 HydrophobicContact CB-CB 4.12Å; R347-I375 HydrophobicContact CB-CG1 4.33Å; R347-I375 PolarHBondContact N-O 2.92Å; R347-I375 PolarHBondContact O-N 2.96Å; R347-I375 VanDerWaalsContact O-O 3.12Å; R347-N427 PolarHBondContact O-ND2 3.46Å |
| 348 | A | 94 | Very high | 91 | Very high | 41 Ų | 41 | 85.2 Ų | 85.2 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 148.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A429 | A348-A429 HydrophobicContact CB-CB 4.27Å; A348-A429 WeakPolarHBondContact CB-O 3.33Å |
| 349 | P | 97.1 | Very high | 91 | Very high | 7 Ų | 7 | 93 Ų | 93 | 5% | 0.045 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.8 | -174.8 | -14 | 31.3 | 0 | 0 | 0 | 110.3 | I372 S373 A374 P378 A425 N427 G430 T432 | P349-I372 HydrophobicContact CB-CG2 4Å; P349-S373 CarbonylContact C-O 3.59Å; P349-S373 WeakPolarHBondContact CA-O 3.28Å; P349-A374 HydrophobicContact CB-CB 3.66Å; P349-A374 HydrophobicContact CG-CB 3.88Å; P349-P378 HydrophobicContact CB-CB 4.09Å; P349-P378 HydrophobicContact CB-CG 4.46Å; P349-P378 HydrophobicContact CG-CB 3.91Å; P349-A425 HydrophobicContact CB-CB 3.98Å; P349-N427 WeakPolarHBondContact CD-OD1 3.45Å; P349-N427 HydrophobicContact CG-CB 4.2Å; P349-G430 WeakPolarHBondContact CD-O 3.22Å; P349-T432 HydrophobicContact CB-CG2 3.94Å; P349-T432 WeakPolarHBondContact O-CB 3.29Å; P349-T432 WeakPolarHBondContact O-CG2 3.48Å |
| 350 | M | 97 | Very high | 91 | Very high | 126 Ų | 126 | 90.5 Ų | 90.5 | 62% | 0.621 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.2 | -177.6 | -176.5 | -176.7 | -68.8 | 0 | 0 | 110.5 | I352 I372 S373 | M350-I352 PolarHBondContact O-N 2.84Å; M350-I372 CarbonylContact O-C 3.56Å; M350-I372 WeakPolarHBondContact O-CA 3.3Å; M350-S373 PolarHBondContact N-O 2.88Å; M350-S373 PolarHBondContact O-N 2.9Å |
| 351 | F | 96.9 | Very high | 91 | Very high | 22 Ų | 22 | 92.4 Ų | 92.4 | 10% | 0.096 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 112.3 | 171.8 | -66.7 | -80.4 | 0 | 0 | 0 | 110.6 | K354 C370 Q371 I372 V423 T432 C434 | F351-K354 HydrophobicContact CB-CG 3.9Å; F351-K354 HydrophobicContact CG-CG 4.33Å; F351-C370 HydrophobicContact CD1-CB 4.14Å; F351-C370 HydrophobicContact CE1-CB 4.23Å; F351-Q371 CarbonylContact C-O 3.6Å; F351-Q371 WeakPolarHBondContact CA-O 3.41Å; F351-I372 HydrophobicContact CD1-CD1 4.2Å; F351-I372 HydrophobicContact CD1-CG1 3.68Å; F351-I372 HydrophobicContact CE1-CD1 3.66Å; F351-I372 HydrophobicContact CE1-CG1 3.69Å; F351-I372 HydrophobicContact CZ-CD1 4.28Å; F351-V423 HydrophobicContact CE1-CG1 3.78Å; F351-V423 HydrophobicContact CE1-CG2 4.43Å; F351-V423 HydrophobicContact CZ-CG1 3.76Å; F351-V423 HydrophobicContact CZ-CG2 4.4Å; F351-T432 HydrophobicContact CD2-CG2 3.8Å; F351-T432 HydrophobicContact CE2-CG2 3.47Å; F351-T432 VanDerWaalsContact CE2-CG2 3.47Å; F351-T432 HydrophobicContact CZ-CG2 4.14Å; F351-C434 HydrophobicContact CD1-CB 4.48Å; F351-C434 HydrophobicContact CD2-CB 3.86Å; F351-C434 HydrophobicContact CE1-CB 4.12Å; F351-C434 HydrophobicContact CE2-CB 3.43Å; F351-C434 VanDerWaalsContact CE2-CB 3.43Å; F351-C434 HydrophobicContact CG-CB 4.37Å; F351-C434 HydrophobicContact CZ-CB 3.6Å |
| 352 | I | 96.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 91 Ų | 91 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -49.4 | 163.8 | -63.4 | 168.9 | 0 | 0 | 0 | 108.4 | M350 Q371 | M350-I352 PolarHBondContact O-N 2.84Å; I352-Q371 HydrophobicContact CB-CB 4.28Å; I352-Q371 HydrophobicContact CB-CG 4.37Å; I352-Q371 HydrophobicContact CD1-CG 4.24Å; I352-Q371 PolarHBondContact N-O 2.68Å |
| 353 | Y | 97.1 | Very high | 91.7 | Very high | 154 Ų | 154 | 88.8 Ų | 88.8 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.1 | 172.5 | -61.9 | -60 | 0 | 0 | 0 | 109.9 | C370 Q371 | Y353-C370 WeakPolarHBondContact O-CA 3.32Å; Y353-C370 VanDerWaalsContact O-CB 3.24Å; Y353-C370 WeakPolarHBondContact O-CB 3.2Å; Y353-Q371 HydrophobicContact CD2-CB 3.83Å; Y353-Q371 VanDerWaalsContact CE2-OE1 3.3Å; Y353-Q371 HydrophobicContact CG-CB 4.47Å; Y353-Q371 PolarHBondContact N-O 2.85Å; Y353-Q371 PolarHBondContact O-N 2.88Å |
| 354 | K | 96.4 | Very high | 92.8 | Very high | 145 Ų | 145 | 85.3 Ų | 85.3 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 147.2 | 177.3 | -68.7 | 179.1 | 178.1 | 179.9 | 0 | 110.6 | F351 Q356 | F351-K354 HydrophobicContact CB-CG 3.9Å; F351-K354 HydrophobicContact CG-CG 4.33Å; K354-Q356 PolarHBondContact O-N 2.8Å |
| 355 | P | 95.8 | Very high | 94 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 126.4 | 178.2 | 28.8 | -33.2 | 0 | 0 | 0 | 112 | E369 C370 V423 T436 | P355-E369 VanDerWaalsContact CA-O 3.28Å; P355-E369 WeakPolarHBondContact CA-O 3.35Å; P355-C370 HydrophobicContact CB-CB 4.19Å; P355-C370 HydrophobicContact CG-CB 4.3Å; P355-V423 HydrophobicContact CG-CG1 3.79Å; P355-T436 HydrophobicContact CB-CG2 4.02Å; P355-T436 HydrophobicContact CG-CG2 4.19Å; P355-T436 VanDerWaalsContact O-CB 3.3Å; P355-T436 WeakPolarHBondContact O-CB 3.3Å; P355-T436 PolarHBondContact O-OG1 3.4Å |
| 356 | Q | 96.1 | Very high | 95.1 | Very high | 150 Ų | 150 | 75.7 Ų | 75.7 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 141.4 | -178.8 | -64 | -177.5 | -4.2 | 0 | 0 | 112.1 | K354 T436 | K354-Q356 PolarHBondContact O-N 2.8Å; Q356-T436 PolarHBondContact O-OG1 2.95Å |
| 357 | S | 97.1 | Very high | 95.6 | Very high | 77 Ų | 77 | 76.3 Ų | 76.3 | 54% | 0.538 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.9 | 175 | -58 | 0 | 0 | 0 | 0 | 110.7 | T436 R437 | S357-T436 WeakPolarHBondContact CA-OG1 3.33Å; S357-T436 PolarHBondContact N-OG1 2.81Å; S357-T436 VanDerWaalsContact N-OG1 3.09Å; S357-R437 CarbonylContact C-O 3.4Å; S357-R437 WeakPolarHBondContact CA-O 3.49Å; S357-R437 VanDerWaalsContact CB-O 3.25Å; S357-R437 WeakPolarHBondContact CB-O 3.49Å; S357-R437 PolarHBondContact OG-N 2.89Å; S357-R437 VanDerWaalsContact OG-N 3.13Å |
| 358 | K | 96.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.9 | -176 | -67.8 | -173.5 | 179.1 | -178.2 | 0 | 111.5 | V360 V366 K367 R437 L438 D439 | K358-V360 HydrophobicContact CB-CG2 4.39Å; K358-V366 HydrophobicContact CB-CG2 4.23Å; K358-V366 HydrophobicContact CD-CG2 3.88Å; K358-K367 WeakPolarHBondContact CD-O 3.45Å; K358-K367 WeakPolarHBondContact CE-O 3.26Å; K358-K367 PolarHBondContact NZ-O 3.04Å; K358-R437 PolarHBondContact N-O 2.81Å; K358-L438 HydrophobicContact CB-CD1 4.38Å; K358-L438 WeakPolarHBondContact O-CA 3.44Å; K358-D439 PolarHBondContact O-N 2.96Å |
| 359 | K | 96.1 | Very high | 96 | Very high | 165 Ų | 165 | 71.7 Ų | 71.7 | 72% | 0.717 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.7 | 170.2 | -53.2 | -161.2 | 173.4 | -178.9 | 0 | 108.4 | D439 | K359-D439 WeakPolarHBondContact CA-O 3.08Å; K359-D439 HydrophobicContact CB-CB 4.47Å; K359-D439 HydrophobicContact CD-CB 4.48Å; K359-D439 WeakPolarHBondContact CE-OD2 3.43Å; K359-D439 HydrophobicContact CG-CB 4.07Å |
| 360 | V | 95.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 71.6 Ų | 71.6 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.8 | -170.4 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | K358 D364 V366 L438 D439 V440 T441 | K358-V360 HydrophobicContact CB-CG2 4.39Å; V360-D364 HydrophobicContact CG1-CB 3.7Å; V360-V366 HydrophobicContact CG1-CB 4.46Å; V360-V366 HydrophobicContact CG2-CB 3.93Å; V360-V366 HydrophobicContact CG2-CG2 3.67Å; V360-L438 HydrophobicContact CB-CD1 4.46Å; V360-L438 HydrophobicContact CG2-CD1 4.09Å; V360-D439 PolarHBondContact N-O 2.99Å; V360-V440 WeakPolarHBondContact O-CA 3.37Å; V360-T441 PolarHBondContact O-N 2.96Å; V360-T441 PolarHBondContact O-OG1 2.9Å |
| 361 | L | 94.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 147.7 | 176.3 | -68.7 | 163.6 | 0 | 0 | 0 | 111.4 | G363 D364 T441 R443 | L361-G363 PolarHBondContact O-N 2.85Å; L361-D364 WeakPolarHBondContact O-CB 3.28Å; L361-D364 PolarHBondContact O-N 2.98Å; L361-T441 CarbonylContact C-O 3.51Å; L361-T441 VanDerWaalsContact CA-O 3.3Å; L361-T441 WeakPolarHBondContact CA-O 3.32Å; L361-T441 WeakPolarHBondContact CD2-OG1 3.49Å; L361-R443 HydrophobicContact CB-CG 4.16Å |
| 362 | E | 94.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 27% | 0.271 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 121.3 | -179.1 | -178.1 | 155.5 | -134.2 | 0 | 0 | 111.9 | V413 K415 V440 T441 R443 | E362-V413 CarbonylContact C-O 3.54Å; E362-V413 WeakPolarHBondContact CA-O 3.31Å; E362-K415 WeakPolarHBondContact OE1-CG 3.36Å; E362-K415 PolarHBondContact OE1-N 3.33Å; E362-K415 WeakPolarHBondContact OE2-CE 3.25Å; E362-K415 IonicContact OE2-NZ 3.17Å; E362-V440 HydrophobicContact CB-CG1 4.26Å; E362-T441 PolarHBondContact N-O 3.18Å; E362-R443 PolarHBondContact O-NE 3.16Å; E362-R443 PolarHBondContact O-NH2 3.16Å |
| 363 | G | 91.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -5.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | L361 V413 R443 | L361-G363 PolarHBondContact O-N 2.85Å; G363-V413 PolarHBondContact N-O 3.15Å; G363-R443 PolarHBondContact O-NH2 2.81Å |
| 364 | D | 94.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | trans | -78.5 | 169.4 | 171.8 | -71.4 | -9.9 | 0 | 0 | 0 | 110.9 | V360 L361 D412 V413 R443 | V360-D364 HydrophobicContact CG1-CB 3.7Å; L361-D364 WeakPolarHBondContact O-CB 3.28Å; L361-D364 PolarHBondContact O-N 2.98Å; D364-D412 PolarHBondContact O-N 3.17Å; D364-V413 VanDerWaalsContact O-CB 3.3Å; D364-V413 WeakPolarHBondContact O-CB 3.33Å; D364-V413 WeakPolarHBondContact O-CG2 3.41Å; D364-V413 PolarHBondContact O-N 2.99Å; D364-R443 VanDerWaalsContact N-NH2 3.13Å; D364-R443 IonicContact OD1-CZ 2.76Å; D364-R443 IonicContact OD1-NH1 2.75Å; D364-R443 PolarHBondContact OD1-NH1 3.13Å; D364-R443 IonicContact OD1-NH2 2.85Å; D364-R443 PolarHBondContact OD1-NH2 2.86Å; D364-R443 IonicContact OD2-NH1 3.92Å | ||
| 365 | S | 95.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | trans | -101.1 | 138 | 173 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | I410 K411 | S365-I410 CarbonylContact C-O 3.5Å; S365-I410 VanDerWaalsContact CA-O 3.32Å; S365-I410 WeakPolarHBondContact CA-O 3.42Å; S365-K411 WeakPolarHBondContact OG-CA 3.18Å | ||
| 366 | V | 96.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.9 | 177.8 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | K358 V360 L409 I410 V413 L438 | K358-V366 HydrophobicContact CB-CG2 4.23Å; K358-V366 HydrophobicContact CD-CG2 3.88Å; V360-V366 HydrophobicContact CG1-CB 4.46Å; V360-V366 HydrophobicContact CG2-CB 3.93Å; V360-V366 HydrophobicContact CG2-CG2 3.67Å; V366-L409 WeakPolarHBondContact O-CA 3.41Å; V366-I410 HydrophobicContact CG1-CB 3.89Å; V366-I410 HydrophobicContact CG1-CD1 4.22Å; V366-I410 HydrophobicContact CG1-CG1 4.48Å; V366-I410 PolarHBondContact N-O 2.98Å; V366-I410 PolarHBondContact O-N 2.87Å; V366-V413 HydrophobicContact CB-CG2 4.22Å; V366-V413 HydrophobicContact CG1-CG2 3.63Å; V366-L438 HydrophobicContact CB-CD1 4.47Å; V366-L438 HydrophobicContact CG1-CD1 4.13Å; V366-L438 HydrophobicContact CG1-CD2 3.96Å; V366-L438 HydrophobicContact CG2-CD1 4.02Å |
| 367 | K | 96.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 53.3 Ų | 53.3 | 47% | 0.47 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.4 | 170.9 | -65.7 | 178 | 179.9 | -178.6 | 0 | 109.6 | K358 E369 T407 L408 L409 | K358-K367 WeakPolarHBondContact CD-O 3.45Å; K358-K367 WeakPolarHBondContact CE-O 3.26Å; K358-K367 PolarHBondContact NZ-O 3.04Å; K367-E369 HydrophobicContact CB-CG 3.75Å; K367-T407 HydrophobicContact CB-CG2 3.94Å; K367-T407 HydrophobicContact CD-CG2 4.12Å; K367-T407 HydrophobicContact CG-CG2 3.96Å; K367-L408 WeakPolarHBondContact CA-O 3.48Å; K367-L409 HydrophobicContact CG-CD1 3.75Å |
| 368 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.5 | 166.9 | -60.1 | 179.7 | 0 | 0 | 0 | 107.8 | W382 L408 Y421 T436 | L368-W382 HydrophobicContact CB-CH2 3.93Å; L368-W382 HydrophobicContact CB-CZ3 4.13Å; L368-W382 HydrophobicContact CD1-CZ3 4.21Å; L368-L408 HydrophobicContact CB-CB 4.41Å; L368-L408 PolarHBondContact N-O 3.35Å; L368-L408 PolarHBondContact O-N 3.41Å; L368-Y421 HydrophobicContact CD1-CD1 3.79Å; L368-Y421 HydrophobicContact CD1-CD2 3.94Å; L368-Y421 HydrophobicContact CD1-CE1 4.31Å; L368-Y421 HydrophobicContact CD1-CE2 4.46Å; L368-Y421 HydrophobicContact CD1-CG 3.58Å; L368-T436 HydrophobicContact CD1-CG2 4.15Å; L368-T436 HydrophobicContact CD2-CG2 4.34Å |
| 369 | E | 96.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.7 | -163.9 | -54.4 | -170.8 | 104.1 | 0 | 0 | 111 | P355 K367 V406 T407 | P355-E369 VanDerWaalsContact CA-O 3.28Å; P355-E369 WeakPolarHBondContact CA-O 3.35Å; K367-E369 HydrophobicContact CB-CG 3.75Å; E369-V406 CarbonylContact C-O 3.47Å; E369-V406 WeakPolarHBondContact CA-O 3.39Å; E369-T407 HydrophobicContact CG-CG2 3.8Å; E369-T407 WeakPolarHBondContact CG-OG1 3.27Å; E369-T407 WeakPolarHBondContact OE1-CG2 3.42Å; E369-T407 PolarHBondContact OE1-OG1 2.87Å |
| 370 | C | 96.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 167.2 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | F351 Y353 P355 R405 V406 | F351-C370 HydrophobicContact CD1-CB 4.14Å; F351-C370 HydrophobicContact CE1-CB 4.23Å; Y353-C370 WeakPolarHBondContact O-CA 3.32Å; Y353-C370 VanDerWaalsContact O-CB 3.24Å; Y353-C370 WeakPolarHBondContact O-CB 3.2Å; P355-C370 HydrophobicContact CB-CB 4.19Å; P355-C370 HydrophobicContact CG-CB 4.3Å; C370-R405 WeakPolarHBondContact O-CA 3.5Å; C370-V406 PolarHBondContact N-O 2.94Å; C370-V406 PolarHBondContact O-N 3.37Å |
| 371 | Q | 97.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.8 | 172.8 | -169.2 | 177 | 2.7 | 0 | 0 | 109.4 | F351 I352 Y353 T403 G404 | F351-Q371 CarbonylContact C-O 3.6Å; F351-Q371 WeakPolarHBondContact CA-O 3.41Å; I352-Q371 HydrophobicContact CB-CB 4.28Å; I352-Q371 HydrophobicContact CB-CG 4.37Å; I352-Q371 HydrophobicContact CD1-CG 4.24Å; I352-Q371 PolarHBondContact N-O 2.68Å; Y353-Q371 HydrophobicContact CD2-CB 3.83Å; Y353-Q371 VanDerWaalsContact CE2-OE1 3.3Å; Y353-Q371 HydrophobicContact CG-CB 4.47Å; Y353-Q371 PolarHBondContact N-O 2.85Å; Y353-Q371 PolarHBondContact O-N 2.88Å; Q371-T403 PolarHBondContact NE2-O 2.84Å; Q371-G404 CarbonylContact C-O 3.6Å; Q371-G404 WeakPolarHBondContact CA-O 3.31Å |
| 372 | I | 97 | Very high | 94.7 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.8 | -170.7 | -57.9 | 169.2 | 0 | 0 | 0 | 108.9 | P349 M350 F351 P378 L380 G404 V406 A425 | P349-I372 HydrophobicContact CB-CG2 4Å; M350-I372 CarbonylContact O-C 3.56Å; M350-I372 WeakPolarHBondContact O-CA 3.3Å; F351-I372 HydrophobicContact CD1-CD1 4.2Å; F351-I372 HydrophobicContact CD1-CG1 3.68Å; F351-I372 HydrophobicContact CE1-CD1 3.66Å; F351-I372 HydrophobicContact CE1-CG1 3.69Å; F351-I372 HydrophobicContact CZ-CD1 4.28Å; I372-P378 HydrophobicContact CG2-CG 4.06Å; I372-L380 HydrophobicContact CD1-CD2 3.63Å; I372-G404 PolarHBondContact N-O 3.06Å; I372-G404 WeakPolarHBondContact O-CA 3.31Å; I372-V406 HydrophobicContact CD1-CG2 4.2Å; I372-A425 HydrophobicContact CD1-CB 3.91Å; I372-A425 HydrophobicContact CG2-CB 4.13Å |
| 373 | S | 95.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121 | 172.4 | 139 | 0 | 0 | 0 | 0 | 109.2 | R347 P349 M350 | R347-S373 PolarHBondContact NE-OG 2.98Å; R347-S373 PolarHBondContact NH1-OG 2.83Å; R347-S373 PolarHBondContact NH2-OG 2.86Å; R347-S373 VanDerWaalsContact NH2-OG 3.16Å; P349-S373 CarbonylContact C-O 3.59Å; P349-S373 WeakPolarHBondContact CA-O 3.28Å; M350-S373 PolarHBondContact N-O 2.88Å; M350-S373 PolarHBondContact O-N 2.9Å |
| 374 | A | 93.6 | Very high | 95 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P349 P376 P378 | P349-A374 HydrophobicContact CB-CB 3.66Å; P349-A374 HydrophobicContact CG-CB 3.88Å; A374-P376 CarbonylContact C-O 3.54Å; A374-P378 HydrophobicContact CB-CB 4.11Å; A374-P378 HydrophobicContact CB-CG 3.93Å |
| 375 | I | 90.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 121.6 | 169.5 | -56.1 | 176 | 0 | 0 | 0 | 107.4 | H345 K346 R347 N427 | H345-I375 WeakPolarHBondContact O-CB 3.43Å; H345-I375 WeakPolarHBondContact O-CG2 3.32Å; K346-I375 CarbonylContact C-O 3.57Å; K346-I375 WeakPolarHBondContact CA-O 3.38Å; R347-I375 HydrophobicContact CB-CB 4.12Å; R347-I375 HydrophobicContact CB-CG1 4.33Å; R347-I375 PolarHBondContact N-O 2.92Å; R347-I375 PolarHBondContact O-N 2.96Å; R347-I375 VanDerWaalsContact O-O 3.12Å; I375-N427 VanDerWaalsContact C-ND2 3.34Å; I375-N427 PolarHBondContact O-ND2 2.88Å; I375-N427 VanDerWaalsContact O-ND2 3.14Å |
| 376 | P | 90.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | S | Bend | cis | -61.6 | 171.7 | -10.8 | -21.3 | 34.5 | 0 | 0 | 0 | 113.2 | A374 N427 E428 | A374-P376 CarbonylContact C-O 3.54Å; P376-N427 PolarHBondContact O-ND2 3.45Å; P376-E428 WeakPolarHBondContact CD-OE1 3.42Å; P376-E428 HydrophobicContact CG-CG 4.32Å; P376-E428 WeakPolarHBondContact CG-OE1 3.39Å |
| 377 | P | 91.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 71% | 0.708 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 136.4 | 175 | -27 | 35.9 | 0 | 0 | 0 | 112.3 | ||
| 378 | P | 94.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 148.2 | -170.7 | 34.6 | -31.6 | 0 | 0 | 0 | 112 | P349 I372 A374 L380 A425 V426 N427 | P349-P378 HydrophobicContact CB-CB 4.09Å; P349-P378 HydrophobicContact CB-CG 4.46Å; P349-P378 HydrophobicContact CG-CB 3.91Å; I372-P378 HydrophobicContact CG2-CG 4.06Å; A374-P378 HydrophobicContact CB-CB 4.11Å; A374-P378 HydrophobicContact CB-CG 3.93Å; P378-L380 HydrophobicContact CG-CD2 4.5Å; P378-A425 HydrophobicContact CB-CB 4.07Å; P378-A425 HydrophobicContact CG-CB 4.27Å; P378-V426 CarbonylContact C-O 3.58Å; P378-V426 WeakPolarHBondContact CA-O 3.2Å; P378-N427 HydrophobicContact CB-CB 4.5Å |
| 379 | K | 94.5 | Very high | 94.1 | Very high | 162 Ų | 162 | 60.6 Ų | 60.6 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.4 | 163.3 | -65.5 | -177.6 | -178.8 | 179.1 | 0 | 109.1 | F381 A425 V426 | K379-F381 HydrophobicContact CB-CE2 4.22Å; K379-F381 HydrophobicContact CB-CZ 4.27Å; K379-A425 WeakPolarHBondContact O-CA 3.32Å; K379-V426 PolarHBondContact N-O 3.16Å; K379-V426 PolarHBondContact O-N 3.08Å |
| 380 | L | 94.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.6 | -173 | -63.7 | 166.5 | 0 | 0 | 0 | 111 | I372 P378 V406 A425 | I372-L380 HydrophobicContact CD1-CD2 3.63Å; P378-L380 HydrophobicContact CG-CD2 4.5Å; L380-V406 HydrophobicContact CD1-CB 4.32Å; L380-V406 HydrophobicContact CD1-CG1 3.79Å; L380-V406 HydrophobicContact CD1-CG2 3.51Å; L380-V406 HydrophobicContact CD2-CG2 4.3Å; L380-A425 HydrophobicContact CD2-CB 3.73Å |
| 381 | F | 95 | Very high | 93.6 | Very high | 82 Ų | 82 | 67.1 Ų | 67.1 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.5 | 176.3 | -54.2 | -76.6 | 0 | 0 | 0 | 109.2 | K379 M388 V423 S424 V426 | K379-F381 HydrophobicContact CB-CE2 4.22Å; K379-F381 HydrophobicContact CB-CZ 4.27Å; F381-M388 HydrophobicContact CB-CE 4.33Å; F381-M388 HydrophobicContact CD1-CE 3.77Å; F381-M388 HydrophobicContact CG-CE 4.42Å; F381-V423 WeakPolarHBondContact O-CA 3.42Å; F381-S424 PolarHBondContact N-O 3.38Å; F381-S424 PolarHBondContact O-N 3.07Å; F381-V426 HydrophobicContact CD2-CG2 4.07Å; F381-V426 HydrophobicContact CE2-CB 4.28Å; F381-V426 HydrophobicContact CE2-CG2 3.84Å |
| 382 | W | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.6 | 173.7 | -75.6 | 86.8 | 0 | 0 | 0 | 109.4 | L368 V389 V406 L408 Y421 T422 V423 | L368-W382 HydrophobicContact CB-CH2 3.93Å; L368-W382 HydrophobicContact CB-CZ3 4.13Å; L368-W382 HydrophobicContact CD1-CZ3 4.21Å; W382-V389 HydrophobicContact CB-CB 4.09Å; W382-V389 HydrophobicContact CB-CG2 4.26Å; W382-V389 PolarHBondContact O-N 3.27Å; W382-V406 HydrophobicContact CZ2-CG1 4.31Å; W382-L408 HydrophobicContact CB-CD2 4.45Å; W382-L408 HydrophobicContact CD2-CB 4.25Å; W382-L408 HydrophobicContact CD2-CD2 3.77Å; W382-L408 HydrophobicContact CD2-CG 4.49Å; W382-L408 HydrophobicContact CE3-CD2 3.7Å; W382-L408 HydrophobicContact CG-CD2 4.12Å; W382-L408 HydrophobicContact CH2-CB 4.18Å; W382-L408 HydrophobicContact CZ2-CB 3.89Å; W382-L408 HydrophobicContact CZ3-CB 4.49Å; W382-L408 HydrophobicContact CZ3-CD2 4.17Å; W382-Y421 HydrophobicContact CE3-CD1 4.34Å; W382-T422 CarbonylContact C-O 3.52Å; W382-T422 WeakPolarHBondContact CA-O 3.27Å; W382-V423 HydrophobicContact CD2-CB 3.89Å; W382-V423 HydrophobicContact CD2-CG2 4.22Å; W382-V423 HydrophobicContact CE3-CB 3.91Å; W382-V423 HydrophobicContact CH2-CB 3.91Å; W382-V423 HydrophobicContact CH2-CG1 4.15Å; W382-V423 HydrophobicContact CH2-CG2 4.42Å; W382-V423 HydrophobicContact CZ2-CB 3.86Å; W382-V423 HydrophobicContact CZ2-CG1 4.41Å; W382-V423 HydrophobicContact CZ2-CG2 3.88Å; W382-V423 HydrophobicContact CZ3-CB 3.93Å; W382-V423 HydrophobicContact CZ3-CG1 4.33Å |
| 383 | K | 95.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.3 | 171.6 | -63.6 | -177.7 | 177.1 | -170.8 | 0 | 110.5 | E387 M388 Y421 T422 | K383-E387 CarbonylContact C-O 3.59Å; K383-E387 WeakPolarHBondContact CA-O 3.44Å; K383-E387 WeakPolarHBondContact CB-O 3.49Å; K383-M388 HydrophobicContact CD-SD 4.24Å; K383-M388 VanDerWaalsContact CE-SD 3.5Å; K383-M388 HydrophobicContact CG-SD 3.72Å; K383-Y421 CarbonylContact O-C 3.55Å; K383-Y421 VanDerWaalsContact O-CA 3.27Å; K383-Y421 WeakPolarHBondContact O-CA 3.36Å; K383-T422 PolarHBondContact N-O 3.16Å; K383-T422 PolarHBondContact O-N 3.06Å |
| 384 | R | 95.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 80.1 Ų | 80.1 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.2 | 170 | -179.8 | -168 | 67.9 | -172.1 | 1 | 107.4 | N386 E387 V389 K416 D417 W420 Y421 | R384-N386 PolarHBondContact O-N 3.34Å; R384-E387 PolarHBondContact N-O 2.8Å; R384-E387 PolarHBondContact O-N 2.81Å; R384-V389 HydrophobicContact CB-CG2 3.66Å; R384-K416 PolarHBondContact NH1-O 2.83Å; R384-D417 IonicContact NH1-OD1 3.6Å; R384-D417 PolarHBondContact NH1-OD1 2.86Å; R384-W420 CarbonylContact C-O 3.54Å; R384-W420 WeakPolarHBondContact CA-O 3.4Å; R384-Y421 HydrophobicContact CB-CD1 4.31Å; R384-Y421 HydrophobicContact CB-CE1 4.01Å; R384-Y421 WeakPolarHBondContact CD-OH 3.41Å; R384-Y421 HydrophobicContact CG-CD2 4.48Å; R384-Y421 HydrophobicContact CG-CE1 4.17Å; R384-Y421 HydrophobicContact CG-CE2 3.94Å |
| 385 | N | 92.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 82.5 Ų | 82.5 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 43 | -178.5 | -55.5 | -28.9 | 0 | 0 | 0 | 112.6 | E387 G419 W420 | N385-E387 VanDerWaalsContact C-N 3.28Å; N385-E387 PolarHBondContact O-N 2.76Å; N385-G419 WeakPolarHBondContact OD1-CA 3.44Å; N385-W420 PolarHBondContact N-O 3.4Å; N385-W420 PolarHBondContact OD1-N 3.04Å |
| 386 | N | 88.8 | Confident | 92.9 | Very high | 135 Ų | 135 | 79.7 Ų | 79.7 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -9 | -174.7 | -60.6 | -21.4 | 0 | 0 | 0 | 117.8 | R384 | R384-N386 PolarHBondContact O-N 3.34Š|
| 387 | E | 93.6 | Very high | 93.1 | Very high | 129 Ų | 129 | 78.1 Ų | 78.1 | 60% | 0.603 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 146.2 | 173.7 | -61.3 | 179.6 | 158.5 | 0 | 0 | 111.6 | K383 R384 N385 V389 | K383-E387 CarbonylContact C-O 3.59Å; K383-E387 WeakPolarHBondContact CA-O 3.44Å; K383-E387 WeakPolarHBondContact CB-O 3.49Å; R384-E387 PolarHBondContact N-O 2.8Å; R384-E387 PolarHBondContact O-N 2.81Å; N385-E387 VanDerWaalsContact C-N 3.28Å; N385-E387 PolarHBondContact O-N 2.76Å; E387-V389 PolarHBondContact O-N 3.09Å |
| 388 | M | 94.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.3 | 178.2 | -66.6 | -75 | -85.5 | 0 | 0 | 111.1 | F381 K383 Q390 | F381-M388 HydrophobicContact CB-CE 4.33Å; F381-M388 HydrophobicContact CD1-CE 3.77Å; F381-M388 HydrophobicContact CG-CE 4.42Å; K383-M388 HydrophobicContact CD-SD 4.24Å; K383-M388 VanDerWaalsContact CE-SD 3.5Å; K383-M388 HydrophobicContact CG-SD 3.72Å; M388-Q390 PolarHBondContact O-N 3.15Å |
| 389 | V | 92.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 79.8 Ų | 79.8 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 122.2 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | W382 R384 E387 F391 I396 Y421 | W382-V389 HydrophobicContact CB-CB 4.09Å; W382-V389 HydrophobicContact CB-CG2 4.26Å; W382-V389 PolarHBondContact O-N 3.27Å; R384-V389 HydrophobicContact CB-CG2 3.66Å; E387-V389 PolarHBondContact O-N 3.09Å; V389-F391 WeakPolarHBondContact O-CD1 3.44Å; V389-I396 HydrophobicContact CG1-CD1 4.21Å; V389-I396 HydrophobicContact CG1-CG2 4.14Å; V389-Y421 HydrophobicContact CG2-CD1 4.39Å; V389-Y421 HydrophobicContact CG2-CE1 4.17Å |
| 390 | Q | 91.5 | Very high | 93.1 | Very high | 145 Ų | 145 | 77 Ų | 77 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 121.6 | 167.2 | -59.1 | -58.3 | -33.5 | 0 | 0 | 109 | M388 | M388-Q390 PolarHBondContact O-N 3.15Š|
| 391 | F | 90 | Very high | 92.9 | Very high | 68 Ų | 68 | 79 Ų | 79 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | trans | -121.6 | 171.4 | 177.8 | 54.9 | -98.2 | 0 | 0 | 0 | 110.1 | V389 T393 I396 L398 L408 | V389-F391 WeakPolarHBondContact O-CD1 3.44Å; F391-T393 VanDerWaalsContact C-N 3.33Å; F391-I396 CarbonylContact C-O 3.45Å; F391-I396 WeakPolarHBondContact CA-O 3.21Å; F391-I396 HydrophobicContact CB-CG2 4Å; F391-L398 HydrophobicContact CB-CB 4.11Å; F391-L398 HydrophobicContact CD1-CD2 4.4Å; F391-L398 HydrophobicContact CD2-CB 3.63Å; F391-L398 HydrophobicContact CD2-CD2 3.86Å; F391-L398 HydrophobicContact CD2-CG 4.41Å; F391-L398 HydrophobicContact CE1-CD2 4.2Å; F391-L398 HydrophobicContact CE2-CB 4.25Å; F391-L398 HydrophobicContact CE2-CD2 3.63Å; F391-L398 HydrophobicContact CG-CB 3.91Å; F391-L398 HydrophobicContact CG-CD2 4.25Å; F391-L398 HydrophobicContact CZ-CD2 3.82Å; F391-L408 HydrophobicContact CB-CD1 4.24Å | ||
| 392 | N | 88.9 | Confident | 92.5 | Very high | 118 Ų | 118 | 83 Ų | 83 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 64.8 | 37.3 | -165.5 | -52.7 | -20.8 | 0 | 0 | 0 | 112.6 | I396 | N392-I396 WeakPolarHBondContact CA-O 3.46Å; N392-I396 PolarHBondContact N-O 2.95Å |
| 393 | T | 91.4 | Very high | 92.2 | Very high | 66 Ų | 66 | 86.4 Ų | 86.4 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -102.9 | 166.6 | 164.3 | 60.6 | 0 | 0 | 0 | 0 | 109.2 | F391 R395 I396 | F391-T393 VanDerWaalsContact C-N 3.33Å; T393-R395 PolarHBondContact O-N 2.92Å; T393-R395 VanDerWaalsContact O-N 3.08Å; T393-I396 PolarHBondContact N-O 3.44Å; T393-I396 CarbonylContact O-C 3.6Å; T393-I396 PolarHBondContact O-N 2.85Å; T393-I396 VanDerWaalsContact O-O 3.13Å; T393-I396 PolarHBondContact OG1-N 2.9Å; T393-I396 PolarHBondContact OG1-O 2.85Å |
| 394 | D | 89.7 | Confident | 91.9 | Very high | 155 Ų | 155 | 83.1 Ų | 83.1 | 83% | 0.829 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -54.4 | -32.2 | 178 | -58.9 | -40.8 | 0 | 0 | 0 | 112.9 | K411 | D394-K411 PolarHBondContact O-NZ 3.16Š|
| 395 | R | 93.7 | Very high | 92 | Very high | 66 Ų | 66 | 86.4 Ų | 86.4 | 25% | 0.249 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -93.9 | -36.9 | -177.2 | -159.8 | 179.2 | 78 | 109.2 | 5.6 | 114 | T393 K411 D412 N414 D417 | T393-R395 PolarHBondContact O-N 2.92Å; T393-R395 VanDerWaalsContact O-N 3.08Å; R395-K411 HydrophobicContact CG-CB 4.29Å; R395-K411 WeakPolarHBondContact CG-O 3.26Å; R395-K411 PolarHBondContact O-N 3.19Å; R395-D412 PolarHBondContact NH1-O 3.49Å; R395-N414 PolarHBondContact NH1-ND2 2.88Å; R395-N414 VanDerWaalsContact NH1-ND2 3.12Å; R395-D417 IonicContact CZ-OD1 3.52Å; R395-D417 IonicContact CZ-OD2 2.62Å; R395-D417 IonicContact NH1-OD1 2.75Å; R395-D417 IonicContact NH1-OD2 3.54Å; R395-D417 PolarHBondContact NH1-OD2 3.21Å; R395-D417 VanDerWaalsContact NH2-CG 3.34Å; R395-D417 IonicContact NH2-OD1 3.69Å; R395-D417 PolarHBondContact NH2-OD1 2.94Å; R395-D417 IonicContact NH2-OD2 3.91Å; R395-D417 PolarHBondContact NH2-OD2 3.02Å |
| 396 | I | 95.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.6 | -177.8 | -56.2 | -179.5 | 0 | 0 | 0 | 110.1 | V389 F391 N392 T393 L408 L409 I410 | V389-I396 HydrophobicContact CG1-CD1 4.21Å; V389-I396 HydrophobicContact CG1-CG2 4.14Å; F391-I396 CarbonylContact C-O 3.45Å; F391-I396 WeakPolarHBondContact CA-O 3.21Å; F391-I396 HydrophobicContact CB-CG2 4Å; N392-I396 WeakPolarHBondContact CA-O 3.46Å; N392-I396 PolarHBondContact N-O 2.95Å; T393-I396 PolarHBondContact N-O 3.44Å; T393-I396 CarbonylContact O-C 3.6Å; T393-I396 PolarHBondContact O-N 2.85Å; T393-I396 VanDerWaalsContact O-O 3.13Å; T393-I396 PolarHBondContact OG1-N 2.9Å; T393-I396 PolarHBondContact OG1-O 2.85Å; I396-L408 HydrophobicContact CG2-CD1 3.69Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; I396-L409 CarbonylContact C-O 3.59Å; I396-L409 WeakPolarHBondContact CA-O 3.31Å; I396-I410 HydrophobicContact CG1-CG1 4.25Å; I396-I410 HydrophobicContact CG1-CG2 4.21Å; I396-I410 HydrophobicContact CG2-CG1 4.33Å |
| 397 | S | 95.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 76.8 Ų | 76.8 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.7 | -176.8 | -44.3 | 0 | 0 | 0 | 0 | 110.7 | L409 | S397-L409 PolarHBondContact N-O 2.51Å; S397-L409 PolarHBondContact O-N 3.32Å |
| 398 | L | 95 | Very high | 92.6 | Very high | 33 Ų | 33 | 70.7 Ų | 70.7 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.5 | 175.8 | -178.6 | 65.5 | 0 | 0 | 0 | 109.7 | F391 V406 L408 | F391-L398 HydrophobicContact CB-CB 4.11Å; F391-L398 HydrophobicContact CD1-CD2 4.4Å; F391-L398 HydrophobicContact CD2-CB 3.63Å; F391-L398 HydrophobicContact CD2-CD2 3.86Å; F391-L398 HydrophobicContact CD2-CG 4.41Å; F391-L398 HydrophobicContact CE1-CD2 4.2Å; F391-L398 HydrophobicContact CE2-CB 4.25Å; F391-L398 HydrophobicContact CE2-CD2 3.63Å; F391-L398 HydrophobicContact CG-CB 3.91Å; F391-L398 HydrophobicContact CG-CD2 4.25Å; F391-L398 HydrophobicContact CZ-CD2 3.82Å; L398-V406 HydrophobicContact CD1-CG1 3.79Å; L398-L408 HydrophobicContact CD1-CB 4.45Å; L398-L408 HydrophobicContact CD1-CD1 4.33Å |
| 399 | Y | 93.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 66.9 Ų | 66.9 | 49% | 0.49 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.5 | 175.7 | -56.2 | -79.6 | 0 | 0 | 0 | 110.3 | V406 T407 L409 | Y399-V406 WeakPolarHBondContact O-CA 3.46Å; Y399-T407 PolarHBondContact N-O 2.93Å; Y399-T407 PolarHBondContact O-N 2.87Å; Y399-L409 HydrophobicContact CD2-CB 4.34Å; Y399-L409 HydrophobicContact CE2-CB 3.87Å; Y399-L409 HydrophobicContact CE2-CD2 3.89Å |
| 400 | Q | 92.3 | Very high | 92.9 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 135.3 | 173.8 | -177.8 | 172.9 | 7.1 | 0 | 0 | 109.1 | R405 V406 | Q400-R405 VanDerWaalsContact CA-O 3.32Å; Q400-R405 WeakPolarHBondContact CA-O 3.38Å; Q400-V406 HydrophobicContact CG-CG2 4.24Å |
| 401 | D | 89.5 | Confident | 93.1 | Very high | 59 Ų | 59 | 62.7 Ų | 62.7 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | trans | -108.6 | 171.7 | 175.7 | 76 | 19.5 | 0 | 0 | 0 | 112.9 | T403 G404 R405 | D401-T403 VanDerWaalsContact CG-OG1 3.24Å; D401-T403 PolarHBondContact O-N 3.36Å; D401-T403 VanDerWaalsContact OD1-CA 3.25Å; D401-T403 WeakPolarHBondContact OD1-CA 3.45Å; D401-T403 WeakPolarHBondContact OD1-CB 3.34Å; D401-T403 PolarHBondContact OD1-N 3.35Å; D401-T403 PolarHBondContact OD1-OG1 2.85Å; D401-T403 PolarHBondContact OD2-OG1 3.04Å; D401-T403 VanDerWaalsContact OD2-OG1 3.12Å; D401-G404 PolarHBondContact O-N 2.77Å; D401-G404 PolarHBondContact OD1-N 3.36Å; D401-G404 VanDerWaalsContact OD1-N 3.08Å; D401-R405 VanDerWaalsContact CG-CB 3.46Å; D401-R405 PolarHBondContact N-O 3.1Å; D401-R405 WeakPolarHBondContact OD1-CB 3.42Å; D401-R405 PolarHBondContact OD1-N 3.14Å; D401-R405 WeakPolarHBondContact OD2-CB 3.3Å; D401-R405 IonicContact OD2-NE 3.63Å | ||
| 402 | N | 87.7 | Confident | 93.3 | Very high | 166 Ų | 166 | 64.2 Ų | 64.2 | 89% | 0.888 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -8.8 | 177.5 | 63.7 | -13 | 0 | 0 | 0 | 114 | G404 | N402-G404 VanDerWaalsContact C-N 3.32Š|
| 403 | T | 89.3 | Confident | 93.6 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2 | 173.5 | 81.4 | 0 | 0 | 0 | 0 | 112.5 | Q371 D401 | Q371-T403 PolarHBondContact NE2-O 2.84Å; D401-T403 VanDerWaalsContact CG-OG1 3.24Å; D401-T403 PolarHBondContact O-N 3.36Å; D401-T403 VanDerWaalsContact OD1-CA 3.25Å; D401-T403 WeakPolarHBondContact OD1-CA 3.45Å; D401-T403 WeakPolarHBondContact OD1-CB 3.34Å; D401-T403 PolarHBondContact OD1-N 3.35Å; D401-T403 PolarHBondContact OD1-OG1 2.85Å; D401-T403 PolarHBondContact OD2-OG1 3.04Å; D401-T403 VanDerWaalsContact OD2-OG1 3.12Å |
| 404 | G | 90.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 82.2 | 11.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q371 I372 D401 N402 | Q371-G404 CarbonylContact C-O 3.6Å; Q371-G404 WeakPolarHBondContact CA-O 3.31Å; I372-G404 PolarHBondContact N-O 3.06Å; I372-G404 WeakPolarHBondContact O-CA 3.31Å; D401-G404 PolarHBondContact O-N 2.77Å; D401-G404 PolarHBondContact OD1-N 3.36Å; D401-G404 VanDerWaalsContact OD1-N 3.08Å; N402-G404 VanDerWaalsContact C-N 3.32Å |
| 405 | R | 95.7 | Very high | 93.8 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 49% | 0.494 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138.4 | 171.5 | -164.4 | -175.2 | -60.7 | -145.3 | -4 | 109.2 | C370 Q400 D401 | C370-R405 WeakPolarHBondContact O-CA 3.5Å; Q400-R405 VanDerWaalsContact CA-O 3.32Å; Q400-R405 WeakPolarHBondContact CA-O 3.38Å; D401-R405 VanDerWaalsContact CG-CB 3.46Å; D401-R405 PolarHBondContact N-O 3.1Å; D401-R405 WeakPolarHBondContact OD1-CB 3.42Å; D401-R405 PolarHBondContact OD1-N 3.14Å; D401-R405 WeakPolarHBondContact OD2-CB 3.3Å; D401-R405 IonicContact OD2-NE 3.63Å |
| 406 | V | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.4 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 108 | E369 C370 I372 L380 W382 L398 Y399 Q400 | E369-V406 CarbonylContact C-O 3.47Å; E369-V406 WeakPolarHBondContact CA-O 3.39Å; C370-V406 PolarHBondContact N-O 2.94Å; C370-V406 PolarHBondContact O-N 3.37Å; I372-V406 HydrophobicContact CD1-CG2 4.2Å; L380-V406 HydrophobicContact CD1-CB 4.32Å; L380-V406 HydrophobicContact CD1-CG1 3.79Å; L380-V406 HydrophobicContact CD1-CG2 3.51Å; L380-V406 HydrophobicContact CD2-CG2 4.3Å; W382-V406 HydrophobicContact CZ2-CG1 4.31Å; L398-V406 HydrophobicContact CD1-CG1 3.79Å; Y399-V406 WeakPolarHBondContact O-CA 3.46Å; Q400-V406 HydrophobicContact CG-CG2 4.24Å |
| 407 | T | 96.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 112.8 | -179.5 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | K367 E369 Y399 | K367-T407 HydrophobicContact CB-CG2 3.94Å; K367-T407 HydrophobicContact CD-CG2 4.12Å; K367-T407 HydrophobicContact CG-CG2 3.96Å; E369-T407 HydrophobicContact CG-CG2 3.8Å; E369-T407 WeakPolarHBondContact CG-OG1 3.27Å; E369-T407 WeakPolarHBondContact OE1-CG2 3.42Å; E369-T407 PolarHBondContact OE1-OG1 2.87Å; Y399-T407 PolarHBondContact N-O 2.93Å; Y399-T407 PolarHBondContact O-N 2.87Å |
| 408 | L | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 108.8 | 165.5 | -175.6 | 71.3 | 0 | 0 | 0 | 108.2 | K367 L368 W382 F391 I396 L398 I410 Y421 | K367-L408 WeakPolarHBondContact CA-O 3.48Å; L368-L408 HydrophobicContact CB-CB 4.41Å; L368-L408 PolarHBondContact N-O 3.35Å; L368-L408 PolarHBondContact O-N 3.41Å; W382-L408 HydrophobicContact CB-CD2 4.45Å; W382-L408 HydrophobicContact CD2-CB 4.25Å; W382-L408 HydrophobicContact CD2-CD2 3.77Å; W382-L408 HydrophobicContact CD2-CG 4.49Å; W382-L408 HydrophobicContact CE3-CD2 3.7Å; W382-L408 HydrophobicContact CG-CD2 4.12Å; W382-L408 HydrophobicContact CH2-CB 4.18Å; W382-L408 HydrophobicContact CZ2-CB 3.89Å; W382-L408 HydrophobicContact CZ3-CB 4.49Å; W382-L408 HydrophobicContact CZ3-CD2 4.17Å; F391-L408 HydrophobicContact CB-CD1 4.24Å; I396-L408 HydrophobicContact CG2-CD1 3.69Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; L398-L408 HydrophobicContact CD1-CB 4.45Å; L398-L408 HydrophobicContact CD1-CD1 4.33Å; L408-I410 HydrophobicContact CD2-CD1 4.4Å; L408-I410 HydrophobicContact CG-CG1 4.44Å; L408-Y421 HydrophobicContact CD2-CD1 4.07Å; L408-Y421 HydrophobicContact CD2-CE1 4.16Å |
| 409 | L | 96.7 | Very high | 93.6 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 173.6 | 176.5 | 67.6 | 0 | 0 | 0 | 109.1 | V366 K367 I396 S397 Y399 K411 | V366-L409 WeakPolarHBondContact O-CA 3.41Å; K367-L409 HydrophobicContact CG-CD1 3.75Å; I396-L409 CarbonylContact C-O 3.59Å; I396-L409 WeakPolarHBondContact CA-O 3.31Å; S397-L409 PolarHBondContact N-O 2.51Å; S397-L409 PolarHBondContact O-N 3.32Å; Y399-L409 HydrophobicContact CD2-CB 4.34Å; Y399-L409 HydrophobicContact CE2-CB 3.87Å; Y399-L409 HydrophobicContact CE2-CD2 3.89Å; L409-K411 HydrophobicContact CD2-CG 4.36Å; L409-K411 HydrophobicContact CG-CG 4.36Å |
| 410 | I | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.9 | 170.2 | -55.8 | 163.2 | 0 | 0 | 0 | 106.5 | S365 V366 I396 L408 V413 Y421 L438 | S365-I410 CarbonylContact C-O 3.5Å; S365-I410 VanDerWaalsContact CA-O 3.32Å; S365-I410 WeakPolarHBondContact CA-O 3.42Å; V366-I410 HydrophobicContact CG1-CB 3.89Å; V366-I410 HydrophobicContact CG1-CD1 4.22Å; V366-I410 HydrophobicContact CG1-CG1 4.48Å; V366-I410 PolarHBondContact N-O 2.98Å; V366-I410 PolarHBondContact O-N 2.87Å; I396-I410 HydrophobicContact CG1-CG1 4.25Å; I396-I410 HydrophobicContact CG1-CG2 4.21Å; I396-I410 HydrophobicContact CG2-CG1 4.33Å; L408-I410 HydrophobicContact CD2-CD1 4.4Å; L408-I410 HydrophobicContact CG-CG1 4.44Å; I410-V413 HydrophobicContact CB-CG2 4.25Å; I410-V413 HydrophobicContact CG2-CG2 3.83Å; I410-Y421 HydrophobicContact CD1-CE1 3.81Å; I410-Y421 WeakPolarHBondContact CD1-OH 3.48Å; I410-L438 HydrophobicContact CD1-CD2 4.23Å |
| 411 | K | 95.5 | Very high | 94 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 32% | 0.317 | 28% | 0.278 | S | S | . | . | trans | -85.4 | 163 | 170.8 | -54.4 | 177.1 | -164.6 | 155.8 | 0 | 110.1 | S365 D394 R395 L409 V413 | S365-K411 WeakPolarHBondContact OG-CA 3.18Å; D394-K411 PolarHBondContact O-NZ 3.16Å; R395-K411 HydrophobicContact CG-CB 4.29Å; R395-K411 WeakPolarHBondContact CG-O 3.26Å; R395-K411 PolarHBondContact O-N 3.19Å; L409-K411 HydrophobicContact CD2-CG 4.36Å; L409-K411 HydrophobicContact CG-CG 4.36Å; K411-V413 VanDerWaalsContact C-N 3.28Å; K411-V413 PolarHBondContact O-N 3.31Å | ||
| 412 | D | 93.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 43.2 | 55.5 | 173 | -48.9 | -32.8 | 0 | 0 | 0 | 112.1 | D364 R395 N414 | D364-D412 PolarHBondContact O-N 3.17Å; R395-D412 PolarHBondContact NH1-O 3.49Å; D412-N414 PolarHBondContact O-N 2.89Å |
| 413 | V | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -63 | 124.3 | -173.3 | 171 | 0 | 0 | 0 | 0 | 109.6 | E362 G363 D364 V366 I410 K411 D417 L438 V440 | E362-V413 CarbonylContact C-O 3.54Å; E362-V413 WeakPolarHBondContact CA-O 3.31Å; G363-V413 PolarHBondContact N-O 3.15Å; D364-V413 VanDerWaalsContact O-CB 3.3Å; D364-V413 WeakPolarHBondContact O-CB 3.33Å; D364-V413 WeakPolarHBondContact O-CG2 3.41Å; D364-V413 PolarHBondContact O-N 2.99Å; V366-V413 HydrophobicContact CB-CG2 4.22Å; V366-V413 HydrophobicContact CG1-CG2 3.63Å; I410-V413 HydrophobicContact CB-CG2 4.25Å; I410-V413 HydrophobicContact CG2-CG2 3.83Å; K411-V413 VanDerWaalsContact C-N 3.28Å; K411-V413 PolarHBondContact O-N 3.31Å; V413-D417 HydrophobicContact CG1-CB 4.32Å; V413-L438 HydrophobicContact CG1-CD2 4.49Å; V413-V440 HydrophobicContact CG1-CB 4.28Å; V413-V440 HydrophobicContact CG1-CG1 3.88Å; V413-V440 HydrophobicContact CG1-CG2 3.37Å | ||
| 414 | N | 93.5 | Very high | 95.1 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | trans | -115.2 | 169.3 | 179.8 | 68.1 | 53.8 | 0 | 0 | 0 | 111.6 | R395 D412 K416 D417 | R395-N414 PolarHBondContact NH1-ND2 2.88Å; R395-N414 VanDerWaalsContact NH1-ND2 3.12Å; D412-N414 PolarHBondContact O-N 2.89Å; N414-K416 PolarHBondContact O-N 3.37Å; N414-K416 WeakPolarHBondContact OD1-CA 3.32Å; N414-K416 WeakPolarHBondContact OD1-CB 3.41Å; N414-K416 PolarHBondContact OD1-N 2.86Å; N414-D417 PolarHBondContact N-OD2 2.87Å; N414-D417 WeakPolarHBondContact O-CB 3.26Å; N414-D417 PolarHBondContact O-N 3.49Å; N414-D417 PolarHBondContact OD1-N 3.28Å; N414-D417 PolarHBondContact OD1-OD2 3.35Å | ||
| 415 | K | 91.6 | Very high | 95.4 | Very high | 127 Ų | 127 | 43.1 Ų | 43.1 | 55% | 0.552 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -54.5 | -25.5 | 178.8 | -74 | 167.4 | -175.3 | 160.9 | 0 | 115.1 | E362 D417 A418 | E362-K415 WeakPolarHBondContact OE1-CG 3.36Å; E362-K415 PolarHBondContact OE1-N 3.33Å; E362-K415 WeakPolarHBondContact OE2-CE 3.25Å; E362-K415 IonicContact OE2-NZ 3.17Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.5Å; K415-A418 WeakPolarHBondContact O-CB 3.23Å; K415-A418 PolarHBondContact O-N 3.41Å |
| 416 | K | 91.7 | Very high | 95.4 | Very high | 169 Ų | 169 | 39.5 Ų | 39.5 | 74% | 0.735 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -77.2 | -12.7 | 177.4 | -51.7 | 178.9 | 178.2 | 178.2 | 0 | 112.9 | R384 N414 | R384-K416 PolarHBondContact NH1-O 2.83Å; N414-K416 PolarHBondContact O-N 3.37Å; N414-K416 WeakPolarHBondContact OD1-CA 3.32Å; N414-K416 WeakPolarHBondContact OD1-CB 3.41Å; N414-K416 PolarHBondContact OD1-N 2.86Å |
| 417 | D | 93.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -85.9 | -11.9 | 174.1 | -56.9 | -48 | 0 | 0 | 0 | 113 | R384 R395 V413 N414 K415 Y421 L438 | R384-D417 IonicContact NH1-OD1 3.6Å; R384-D417 PolarHBondContact NH1-OD1 2.86Å; R395-D417 IonicContact CZ-OD1 3.52Å; R395-D417 IonicContact CZ-OD2 2.62Å; R395-D417 IonicContact NH1-OD1 2.75Å; R395-D417 IonicContact NH1-OD2 3.54Å; R395-D417 PolarHBondContact NH1-OD2 3.21Å; R395-D417 VanDerWaalsContact NH2-CG 3.34Å; R395-D417 IonicContact NH2-OD1 3.69Å; R395-D417 PolarHBondContact NH2-OD1 2.94Å; R395-D417 IonicContact NH2-OD2 3.91Å; R395-D417 PolarHBondContact NH2-OD2 3.02Å; V413-D417 HydrophobicContact CG1-CB 4.32Å; N414-D417 PolarHBondContact N-OD2 2.87Å; N414-D417 WeakPolarHBondContact O-CB 3.26Å; N414-D417 PolarHBondContact O-N 3.49Å; N414-D417 PolarHBondContact OD1-N 3.28Å; N414-D417 PolarHBondContact OD1-OD2 3.35Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.5Å; D417-Y421 VanDerWaalsContact O-CE2 3.26Å; D417-Y421 WeakPolarHBondContact O-CE2 3.32Å; D417-Y421 PolarHBondContact O-OH 3.36Å; D417-L438 HydrophobicContact CB-CD2 4.42Å |
| 418 | A | 95.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | trans | -62.2 | 138.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | K415 L438 V440 | K415-A418 WeakPolarHBondContact O-CB 3.23Å; K415-A418 PolarHBondContact O-N 3.41Å; A418-L438 WeakPolarHBondContact CA-O 3.26Å; A418-V440 HydrophobicContact CB-CB 4.16Å; A418-V440 HydrophobicContact CB-CG2 3.94Å | ||
| 419 | G | 95.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -167.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N385 L438 | N385-G419 WeakPolarHBondContact OD1-CA 3.44Å; G419-L438 PolarHBondContact N-O 2.95Å; G419-L438 PolarHBondContact O-N 3.38Å |
| 420 | W | 96.8 | Very high | 94.8 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.5 | 176.6 | -69.4 | 100.1 | 0 | 0 | 0 | 110.3 | R384 N385 T436 R437 | R384-W420 CarbonylContact C-O 3.54Å; R384-W420 WeakPolarHBondContact CA-O 3.4Å; N385-W420 PolarHBondContact N-O 3.4Å; N385-W420 PolarHBondContact OD1-N 3.04Å; W420-T436 CarbonylContact C-O 3.53Å; W420-T436 WeakPolarHBondContact CA-O 3.5Å; W420-R437 HydrophobicContact CD2-CB 4.36Å; W420-R437 HydrophobicContact CE3-CB 3.91Å; W420-R437 HydrophobicContact CH2-CB 4.27Å; W420-R437 HydrophobicContact CZ3-CB 3.87Å |
| 421 | Y | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.7 | 172.8 | -75.7 | -101.8 | 0 | 0 | 0 | 109.6 | L368 W382 K383 R384 V389 L408 I410 D417 N435 T436 L438 | L368-Y421 HydrophobicContact CD1-CD1 3.79Å; L368-Y421 HydrophobicContact CD1-CD2 3.94Å; L368-Y421 HydrophobicContact CD1-CE1 4.31Å; L368-Y421 HydrophobicContact CD1-CE2 4.46Å; L368-Y421 HydrophobicContact CD1-CG 3.58Å; W382-Y421 HydrophobicContact CE3-CD1 4.34Å; K383-Y421 CarbonylContact O-C 3.55Å; K383-Y421 VanDerWaalsContact O-CA 3.27Å; K383-Y421 WeakPolarHBondContact O-CA 3.36Å; R384-Y421 HydrophobicContact CB-CD1 4.31Å; R384-Y421 HydrophobicContact CB-CE1 4.01Å; R384-Y421 WeakPolarHBondContact CD-OH 3.41Å; R384-Y421 HydrophobicContact CG-CD2 4.48Å; R384-Y421 HydrophobicContact CG-CE1 4.17Å; R384-Y421 HydrophobicContact CG-CE2 3.94Å; V389-Y421 HydrophobicContact CG2-CD1 4.39Å; V389-Y421 HydrophobicContact CG2-CE1 4.17Å; L408-Y421 HydrophobicContact CD2-CD1 4.07Å; L408-Y421 HydrophobicContact CD2-CE1 4.16Å; I410-Y421 HydrophobicContact CD1-CE1 3.81Å; I410-Y421 WeakPolarHBondContact CD1-OH 3.48Å; D417-Y421 VanDerWaalsContact O-CE2 3.26Å; D417-Y421 WeakPolarHBondContact O-CE2 3.32Å; D417-Y421 PolarHBondContact O-OH 3.36Å; Y421-N435 CarbonylContact O-C 3.49Å; Y421-N435 WeakPolarHBondContact O-CA 3.45Å; Y421-T436 PolarHBondContact N-O 3.15Å; Y421-T436 PolarHBondContact O-N 2.94Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.75Å; Y421-L438 HydrophobicContact CE2-CD2 3.91Å; Y421-L438 HydrophobicContact CE2-CG 4.47Å |
| 422 | T | 96.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.1 | 179 | -57.2 | 0 | 0 | 0 | 0 | 108.3 | W382 K383 T433 C434 N435 | W382-T422 CarbonylContact C-O 3.52Å; W382-T422 WeakPolarHBondContact CA-O 3.27Å; K383-T422 PolarHBondContact N-O 3.16Å; K383-T422 PolarHBondContact O-N 3.06Å; T422-T433 HydrophobicContact CG2-CG2 3.28Å; T422-C434 WeakPolarHBondContact CA-O 3.33Å; T422-N435 PolarHBondContact OG1-ND2 3.49Å |
| 423 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.6 | 172.7 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | F351 P355 F381 W382 T433 C434 | F351-V423 HydrophobicContact CE1-CG1 3.78Å; F351-V423 HydrophobicContact CE1-CG2 4.43Å; F351-V423 HydrophobicContact CZ-CG1 3.76Å; F351-V423 HydrophobicContact CZ-CG2 4.4Å; P355-V423 HydrophobicContact CG-CG1 3.79Å; F381-V423 WeakPolarHBondContact O-CA 3.42Å; W382-V423 HydrophobicContact CD2-CB 3.89Å; W382-V423 HydrophobicContact CD2-CG2 4.22Å; W382-V423 HydrophobicContact CE3-CB 3.91Å; W382-V423 HydrophobicContact CH2-CB 3.91Å; W382-V423 HydrophobicContact CH2-CG1 4.15Å; W382-V423 HydrophobicContact CH2-CG2 4.42Å; W382-V423 HydrophobicContact CZ2-CB 3.86Å; W382-V423 HydrophobicContact CZ2-CG1 4.41Å; W382-V423 HydrophobicContact CZ2-CG2 3.88Å; W382-V423 HydrophobicContact CZ3-CB 3.93Å; W382-V423 HydrophobicContact CZ3-CG1 4.33Å; V423-T433 CarbonylContact O-C 3.58Å; V423-T433 VanDerWaalsContact O-CA 3.29Å; V423-T433 WeakPolarHBondContact O-CA 3.48Å; V423-C434 HydrophobicContact CG1-CB 4.32Å; V423-C434 WeakPolarHBondContact CG1-O 3.38Å; V423-C434 PolarHBondContact N-O 3.42Å; V423-C434 PolarHBondContact O-N 2.84Å |
| 424 | S | 96.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.1 | 175.1 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | F381 T432 T433 | F381-S424 PolarHBondContact N-O 3.38Å; F381-S424 PolarHBondContact O-N 3.07Å; S424-T432 CarbonylContact C-O 3.51Å; S424-T432 WeakPolarHBondContact CA-O 3.22Å; S424-T433 WeakPolarHBondContact CB-OG1 3.26Å; S424-T433 WeakPolarHBondContact OG-CG2 3.5Å; S424-T433 PolarHBondContact OG-OG1 3.02Å |
| 425 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P349 I372 P378 K379 L380 V431 T432 | P349-A425 HydrophobicContact CB-CB 3.98Å; I372-A425 HydrophobicContact CD1-CB 3.91Å; I372-A425 HydrophobicContact CG2-CB 4.13Å; P378-A425 HydrophobicContact CB-CB 4.07Å; P378-A425 HydrophobicContact CG-CB 4.27Å; K379-A425 WeakPolarHBondContact O-CA 3.32Å; L380-A425 HydrophobicContact CD2-CB 3.73Å; A425-V431 WeakPolarHBondContact O-CA 3.39Å; A425-T432 HydrophobicContact CB-CG2 4.06Å; A425-T432 PolarHBondContact N-O 3Å; A425-T432 PolarHBondContact O-N 3.36Å |
| 426 | V | 96.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.9 | -171.1 | -173.4 | 0 | 0 | 0 | 0 | 110 | P378 K379 F381 V431 | P378-V426 CarbonylContact C-O 3.58Å; P378-V426 WeakPolarHBondContact CA-O 3.2Å; K379-V426 PolarHBondContact N-O 3.16Å; K379-V426 PolarHBondContact O-N 3.08Å; F381-V426 HydrophobicContact CD2-CG2 4.07Å; F381-V426 HydrophobicContact CE2-CB 4.28Å; F381-V426 HydrophobicContact CE2-CG2 3.84Å; V426-V431 HydrophobicContact CG2-CB 4.27Å; V426-V431 HydrophobicContact CG2-CG2 3.84Å |
| 427 | N | 95 | Very high | 95.7 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | -179.8 | 160.9 | 75.4 | 4.9 | 0 | 0 | 0 | 110 | R347 P349 I375 P376 P378 A429 G430 | R347-N427 PolarHBondContact O-ND2 3.46Å; P349-N427 WeakPolarHBondContact CD-OD1 3.45Å; P349-N427 HydrophobicContact CG-CB 4.2Å; I375-N427 VanDerWaalsContact C-ND2 3.34Å; I375-N427 PolarHBondContact O-ND2 2.88Å; I375-N427 VanDerWaalsContact O-ND2 3.14Å; P376-N427 PolarHBondContact O-ND2 3.45Å; P378-N427 HydrophobicContact CB-CB 4.5Å; N427-A429 PolarHBondContact O-N 2.82Å; N427-A429 WeakPolarHBondContact OD1-CA 3.33Å; N427-A429 WeakPolarHBondContact OD1-CB 3.14Å; N427-A429 PolarHBondContact OD1-N 3.41Å; N427-G430 PolarHBondContact N-O 3.28Å; N427-G430 PolarHBondContact O-N 2.83Å; N427-G430 VanDerWaalsContact O-N 3.11Å; N427-G430 PolarHBondContact OD1-N 2.81Å |
| 428 | E | 93.2 | Very high | 95.9 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.7 | 179.3 | 52.9 | 171.8 | 177.5 | 0 | 0 | 114.7 | K346 P376 | K346-E428 HydrophobicContact CD-CG 4.3Å; K346-E428 WeakPolarHBondContact CD-OE1 3.42Å; K346-E428 WeakPolarHBondContact CE-OE1 3.38Å; K346-E428 IonicContact NZ-OE1 3.77Å; K346-E428 PolarHBondContact NZ-OE1 2.85Å; K346-E428 IonicContact NZ-OE2 2.79Å; K346-E428 PolarHBondContact NZ-OE2 3.18Å; P376-E428 WeakPolarHBondContact CD-OE1 3.42Å; P376-E428 HydrophobicContact CG-CG 4.32Å; P376-E428 WeakPolarHBondContact CG-OE1 3.39Å |
| 429 | A | 90.4 | Very high | 96 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -11.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K346 A348 N427 | K346-A429 HydrophobicContact CB-CB 4.1Å; A348-A429 HydrophobicContact CB-CB 4.27Å; A348-A429 WeakPolarHBondContact CB-O 3.33Å; N427-A429 PolarHBondContact O-N 2.82Å; N427-A429 WeakPolarHBondContact OD1-CA 3.33Å; N427-A429 WeakPolarHBondContact OD1-CB 3.14Å; N427-A429 PolarHBondContact OD1-N 3.41Å |
| 430 | G | 93.7 | Very high | 96 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -166.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P349 N427 | P349-G430 WeakPolarHBondContact CD-O 3.22Å; N427-G430 PolarHBondContact N-O 3.28Å; N427-G430 PolarHBondContact O-N 2.83Å; N427-G430 VanDerWaalsContact O-N 3.11Å; N427-G430 PolarHBondContact OD1-N 2.81Å |
| 431 | V | 97.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 145 | -177.4 | 56 | 0 | 0 | 0 | 0 | 110.8 | A425 V426 | A425-V431 WeakPolarHBondContact O-CA 3.39Å; V426-V431 HydrophobicContact CG2-CB 4.27Å; V426-V431 HydrophobicContact CG2-CG2 3.84Å |
| 432 | T | 97 | Very high | 95.3 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.3 | 165.1 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | P349 F351 S424 A425 | P349-T432 HydrophobicContact CB-CG2 3.94Å; P349-T432 WeakPolarHBondContact O-CB 3.29Å; P349-T432 WeakPolarHBondContact O-CG2 3.48Å; F351-T432 HydrophobicContact CD2-CG2 3.8Å; F351-T432 HydrophobicContact CE2-CG2 3.47Å; F351-T432 VanDerWaalsContact CE2-CG2 3.47Å; F351-T432 HydrophobicContact CZ-CG2 4.14Å; S424-T432 CarbonylContact C-O 3.51Å; S424-T432 WeakPolarHBondContact CA-O 3.22Å; A425-T432 HydrophobicContact CB-CG2 4.06Å; A425-T432 PolarHBondContact N-O 3Å; A425-T432 PolarHBondContact O-N 3.36Å |
| 433 | T | 97.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | T422 V423 S424 | T422-T433 HydrophobicContact CG2-CG2 3.28Å; V423-T433 CarbonylContact O-C 3.58Å; V423-T433 VanDerWaalsContact O-CA 3.29Å; V423-T433 WeakPolarHBondContact O-CA 3.48Å; S424-T433 WeakPolarHBondContact CB-OG1 3.26Å; S424-T433 WeakPolarHBondContact OG-CG2 3.5Å; S424-T433 PolarHBondContact OG-OG1 3.02Å |
| 434 | C | 96.5 | Very high | 93.7 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144 | 174 | -168.9 | 0 | 0 | 0 | 0 | 111 | F351 T422 V423 | F351-C434 HydrophobicContact CD1-CB 4.48Å; F351-C434 HydrophobicContact CD2-CB 3.86Å; F351-C434 HydrophobicContact CE1-CB 4.12Å; F351-C434 HydrophobicContact CE2-CB 3.43Å; F351-C434 VanDerWaalsContact CE2-CB 3.43Å; F351-C434 HydrophobicContact CG-CB 4.37Å; F351-C434 HydrophobicContact CZ-CB 3.6Å; T422-C434 WeakPolarHBondContact CA-O 3.33Å; V423-C434 HydrophobicContact CG1-CB 4.32Å; V423-C434 WeakPolarHBondContact CG1-O 3.38Å; V423-C434 PolarHBondContact N-O 3.42Å; V423-C434 PolarHBondContact O-N 2.84Å |
| 435 | N | 95.9 | Very high | 92.2 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.4 | -178 | -60.7 | 44.5 | 0 | 0 | 0 | 109.9 | Y421 T422 | Y421-N435 CarbonylContact O-C 3.49Å; Y421-N435 WeakPolarHBondContact O-CA 3.45Å; T422-N435 PolarHBondContact OG1-ND2 3.49Å |
| 436 | T | 96.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 161.9 | 176.5 | -159.6 | 0 | 0 | 0 | 0 | 109.8 | P355 Q356 S357 L368 W420 Y421 | P355-T436 HydrophobicContact CB-CG2 4.02Å; P355-T436 HydrophobicContact CG-CG2 4.19Å; P355-T436 VanDerWaalsContact O-CB 3.3Å; P355-T436 WeakPolarHBondContact O-CB 3.3Å; P355-T436 PolarHBondContact O-OG1 3.4Å; Q356-T436 PolarHBondContact O-OG1 2.95Å; S357-T436 WeakPolarHBondContact CA-OG1 3.33Å; S357-T436 PolarHBondContact N-OG1 2.81Å; S357-T436 VanDerWaalsContact N-OG1 3.09Å; L368-T436 HydrophobicContact CD1-CG2 4.15Å; L368-T436 HydrophobicContact CD2-CG2 4.34Å; W420-T436 CarbonylContact C-O 3.53Å; W420-T436 WeakPolarHBondContact CA-O 3.5Å; Y421-T436 PolarHBondContact N-O 3.15Å; Y421-T436 PolarHBondContact O-N 2.94Å |
| 437 | R | 96.4 | Very high | 87.9 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.5 | -176.5 | -176.9 | 171.9 | 165.8 | 154.9 | 1.2 | 111.8 | S357 K358 W420 D439 | S357-R437 CarbonylContact C-O 3.4Å; S357-R437 WeakPolarHBondContact CA-O 3.49Å; S357-R437 VanDerWaalsContact CB-O 3.25Å; S357-R437 WeakPolarHBondContact CB-O 3.49Å; S357-R437 PolarHBondContact OG-N 2.89Å; S357-R437 VanDerWaalsContact OG-N 3.13Å; K358-R437 PolarHBondContact N-O 2.81Å; W420-R437 HydrophobicContact CD2-CB 4.36Å; W420-R437 HydrophobicContact CE3-CB 3.91Å; W420-R437 HydrophobicContact CH2-CB 4.27Å; W420-R437 HydrophobicContact CZ3-CB 3.87Å; R437-D439 IonicContact CZ-OD1 3.1Å; R437-D439 IonicContact NE-OD1 2.72Å; R437-D439 PolarHBondContact NE-OD1 3.11Å; R437-D439 IonicContact NE-OD2 4Å; R437-D439 IonicContact NH2-OD1 3.09Å; R437-D439 PolarHBondContact NH2-OD1 2.9Å |
| 438 | L | 97.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | 169.3 | -178.6 | 60.6 | 0 | 0 | 0 | 108.7 | K358 V360 V366 I410 V413 D417 A418 G419 Y421 V440 | K358-L438 HydrophobicContact CB-CD1 4.38Å; K358-L438 WeakPolarHBondContact O-CA 3.44Å; V360-L438 HydrophobicContact CB-CD1 4.46Å; V360-L438 HydrophobicContact CG2-CD1 4.09Å; V366-L438 HydrophobicContact CB-CD1 4.47Å; V366-L438 HydrophobicContact CG1-CD1 4.13Å; V366-L438 HydrophobicContact CG1-CD2 3.96Å; V366-L438 HydrophobicContact CG2-CD1 4.02Å; I410-L438 HydrophobicContact CD1-CD2 4.23Å; V413-L438 HydrophobicContact CG1-CD2 4.49Å; D417-L438 HydrophobicContact CB-CD2 4.42Å; A418-L438 WeakPolarHBondContact CA-O 3.26Å; G419-L438 PolarHBondContact N-O 2.95Å; G419-L438 PolarHBondContact O-N 3.38Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.75Å; Y421-L438 HydrophobicContact CE2-CD2 3.91Å; Y421-L438 HydrophobicContact CE2-CG 4.47Å; L438-V440 HydrophobicContact CG-CG2 4.24Å |
| 439 | D | 96.3 | Very high | 84.6 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131 | 168.1 | -63.9 | -48.1 | 0 | 0 | 0 | 109.2 | K358 K359 V360 R437 | K358-D439 PolarHBondContact O-N 2.96Å; K359-D439 WeakPolarHBondContact CA-O 3.08Å; K359-D439 HydrophobicContact CB-CB 4.47Å; K359-D439 HydrophobicContact CD-CB 4.48Å; K359-D439 WeakPolarHBondContact CE-OD2 3.43Å; K359-D439 HydrophobicContact CG-CB 4.07Å; V360-D439 PolarHBondContact N-O 2.99Å; R437-D439 IonicContact CZ-OD1 3.1Å; R437-D439 IonicContact NE-OD1 2.72Å; R437-D439 PolarHBondContact NE-OD1 3.11Å; R437-D439 IonicContact NE-OD2 4Å; R437-D439 IonicContact NH2-OD1 3.09Å; R437-D439 PolarHBondContact NH2-OD1 2.9Å |
| 440 | V | 95.9 | Very high | 83.3 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 14% | 0.139 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.5 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | V360 E362 V413 A418 L438 | V360-V440 WeakPolarHBondContact O-CA 3.37Å; E362-V440 HydrophobicContact CB-CG1 4.26Å; V413-V440 HydrophobicContact CG1-CB 4.28Å; V413-V440 HydrophobicContact CG1-CG1 3.88Å; V413-V440 HydrophobicContact CG1-CG2 3.37Å; A418-V440 HydrophobicContact CB-CB 4.16Å; A418-V440 HydrophobicContact CB-CG2 3.94Å; L438-V440 HydrophobicContact CG-CG2 4.24Å |
| 441 | T | 93.1 | Very high | 82 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.9 | 179.3 | 46 | 0 | 0 | 0 | 0 | 109.3 | V360 L361 E362 | V360-T441 PolarHBondContact O-N 2.96Å; V360-T441 PolarHBondContact O-OG1 2.9Å; L361-T441 CarbonylContact C-O 3.51Å; L361-T441 VanDerWaalsContact CA-O 3.3Å; L361-T441 WeakPolarHBondContact CA-O 3.32Å; L361-T441 WeakPolarHBondContact CD2-OG1 3.49Å; E362-T441 PolarHBondContact N-O 3.18Å |
| 442 | A | 86.9 | Confident | 80.3 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 443 | R | 82.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 135.5 | 165.7 | -67.9 | -174.8 | -148.2 | -93.7 | -8.1 | 108.1 | L361 E362 G363 D364 N445 | L361-R443 HydrophobicContact CB-CG 4.16Å; E362-R443 PolarHBondContact O-NE 3.16Å; E362-R443 PolarHBondContact O-NH2 3.16Å; G363-R443 PolarHBondContact O-NH2 2.81Å; D364-R443 VanDerWaalsContact N-NH2 3.13Å; D364-R443 IonicContact OD1-CZ 2.76Å; D364-R443 IonicContact OD1-NH1 2.75Å; D364-R443 PolarHBondContact OD1-NH1 3.13Å; D364-R443 IonicContact OD1-NH2 2.85Å; D364-R443 PolarHBondContact OD1-NH2 2.86Å; D364-R443 IonicContact OD2-NH1 3.92Å; R443-N445 PolarHBondContact O-N 3.5Å |
| 444 | P | 76.5 | Confident | 76.8 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 74% | 0.74 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 119.3 | 166.3 | -21 | 32.3 | 0 | 0 | 0 | 107.5 | Q446 | P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.09Å |
| 445 | N | 64.5 | Low | 75.2 | Confident | 149 Ų | 149 | 108.2 Ų | 108.2 | 80% | 0.797 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120.9 | 173.1 | -127.5 | 3.2 | 0 | 0 | 0 | 106.2 | R443 T447 | R443-N445 PolarHBondContact O-N 3.5Å; N445-T447 PolarHBondContact O-N 3.42Å |
| 446 | Q | 54.2 | Low | 73.5 | Confident | 178 Ų | 178 | 109.7 Ų | 109.7 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -68.3 | 88 | 162.9 | -75.7 | -173.3 | 1.2 | 0 | 0 | 106.1 | P444 L448 | P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.09Å; Q446-L448 PolarHBondContact O-N 3.26Å | ||
| 447 | T | 50.4 | Low | 71.8 | Confident | 124 Ų | 124 | 119.9 Ų | 119.9 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | trans | -59 | 95.8 | 157.2 | 30.5 | 0 | 0 | 0 | 0 | 106 | N445 P449 | N445-T447 PolarHBondContact O-N 3.42Å; T447-P449 VanDerWaalsContact O-N 3.11Å | ||
| 448 | L | 57.7 | Low | 69.9 | Low | 145 Ų | 145 | 116.7 Ų | 116.7 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | trans | -46.5 | 122.8 | 166 | -74.2 | 167.7 | 0 | 0 | 0 | 106.1 | Q446 A450 | Q446-L448 PolarHBondContact O-N 3.26Å; L448-A450 PolarHBondContact O-N 3.3Å | ||
| 449 | P | 60.2 | Low | 68.4 | Low | 112 Ų | 112 | 121.4 Ų | 121.4 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -56.2 | 124.5 | 179.3 | 22.5 | -32 | 0 | 0 | 0 | 107 | T447 | T447-P449 VanDerWaalsContact O-N 3.11Š| ||
| 450 | A | 63.7 | Low | 66.7 | Low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | trans | -45.2 | 131.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L448 K452 | L448-A450 PolarHBondContact O-N 3.3Å; A450-K452 PolarHBondContact O-N 3.28Å | ||
| 451 | P | 65.6 | Low | 64.9 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | trans | -52.2 | 117.9 | -169.5 | 20.1 | -32.5 | 0 | 0 | 0 | 107.9 | Q453 | P451-Q453 PolarHBondContact O-N 3.44Š| ||
| 452 | K | 61.3 | Low | 63.2 | Low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -55.1 | 108.5 | -178.4 | -72.5 | -176.9 | -178.8 | 177.7 | 0 | 106.2 | A450 L454 | A450-K452 PolarHBondContact O-N 3.28Å; K452-L454 PolarHBondContact O-N 3.2Å | ||
| 453 | Q | 62.2 | Low | 61.8 | Low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | -57.7 | 97.2 | 170.1 | -80.6 | -112.1 | 1.7 | 0 | 0 | 106 | P451 R455 | P451-Q453 PolarHBondContact O-N 3.44Å; Q453-R455 PolarHBondContact O-N 3.31Å | ||
| 454 | L | 59.6 | Low | 60.7 | Low | 153 Ų | 153 | 134 Ų | 134 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | trans | -64.8 | 93.4 | 171.5 | -83.8 | 163.1 | 0 | 0 | 0 | 104.7 | K452 V456 | K452-L454 PolarHBondContact O-N 3.2Å; L454-V456 WeakPolarHBondContact O-CG2 3.24Å; L454-V456 PolarHBondContact O-N 3.46Å | ||
| 455 | R | 61.5 | Low | 59.9 | Low | 225 Ų | 225 | 131.6 Ų | 131.6 | 85% | 0.849 | 68% | 0.683 | S | S | * | * | trans | -69.8 | 81 | 179.7 | -165.5 | 174.6 | -172.5 | 176.6 | 3.5 | 107 | Q453 R457 | Q453-R455 PolarHBondContact O-N 3.31Å; R455-R457 VanDerWaalsContact C-N 3.28Å; R455-R457 PolarHBondContact O-N 3.08Å | ||
| 456 | V | 61.3 | Low | 59.6 | Low | 122 Ų | 122 | 127.5 Ų | 127.5 | 74% | 0.739 | 66% | 0.661 | S | S | * | * | trans | -61.1 | 93.4 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | L454 P458 | L454-V456 WeakPolarHBondContact O-CG2 3.24Å; L454-V456 PolarHBondContact O-N 3.46Å; V456-P458 VanDerWaalsContact O-CD 3.26Å; V456-P458 WeakPolarHBondContact O-CD 3.48Å | ||
| 457 | R | 61.1 | Low | 59.6 | Low | 216 Ų | 216 | 123.1 Ų | 123.1 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 117.7 | 164.7 | -70.5 | -173.5 | 176.4 | -170.1 | -1 | 105.9 | R455 T459 | R455-R457 VanDerWaalsContact C-N 3.28Å; R455-R457 PolarHBondContact O-N 3.08Å; R457-T459 PolarHBondContact O-N 3.49Å |
| 458 | P | 57.2 | Low | 60 | Low | 38 Ų | 38 | 120.6 Ų | 120.6 | 25% | 0.247 | 64% | 0.642 | C | S | . | * | P | Polyproline II helix | trans | -60.3 | 133.2 | 174 | -15.4 | 27.9 | 0 | 0 | 0 | 108.2 | V456 K462 Y463 | V456-P458 VanDerWaalsContact O-CD 3.26Å; V456-P458 WeakPolarHBondContact O-CD 3.48Å; P458-K462 HydrophobicContact CB-CB 4.32Å; P458-Y463 HydrophobicContact CB-CD2 3.89Å; P458-Y463 HydrophobicContact CB-CE2 3.56Å; P458-Y463 HydrophobicContact CG-CD2 4.47Å; P458-Y463 HydrophobicContact CG-CE2 3.71Å; P458-Y463 WeakPolarHBondContact O-CE2 3.38Å |
| 459 | T | 65 | Low | 60.1 | Low | 100 Ų | 100 | 123.8 Ų | 123.8 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.9 | 173.1 | 6.5 | 0 | 0 | 0 | 0 | 109.8 | R457 S461 K462 Y463 | R457-T459 PolarHBondContact O-N 3.49Å; T459-S461 PolarHBondContact O-N 3.23Å; T459-S461 VanDerWaalsContact O-N 3.11Å; T459-K462 WeakPolarHBondContact O-CA 3.38Å; T459-K462 WeakPolarHBondContact O-CB 3.23Å; T459-K462 PolarHBondContact O-N 3.42Å; T459-Y463 PolarHBondContact O-N 2.64Å |
| 460 | F | 59.7 | Low | 59.9 | Low | 163 Ų | 163 | 122 Ų | 122 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.3 | -36 | -176.7 | -175.2 | -108.2 | 0 | 0 | 0 | 113.2 | K462 Y463 L464 | F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 3.42Å; F460-Y463 WeakPolarHBondContact O-CB 3.33Å; F460-Y463 PolarHBondContact O-N 3.3Å; F460-L464 HydrophobicContact CD1-CD1 3.78Å; F460-L464 HydrophobicContact CE1-CD1 3.51Å; F460-L464 HydrophobicContact CZ-CD1 4.14Å; F460-L464 PolarHBondContact O-N 2.94Å; F460-L464 VanDerWaalsContact O-N 3.15Å |
| 461 | S | 58.8 | Low | 59.6 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.5 | -29.8 | 172.7 | 38.6 | 0 | 0 | 0 | 0 | 114.3 | T459 A465 | T459-S461 PolarHBondContact O-N 3.23Å; T459-S461 VanDerWaalsContact O-N 3.11Å; S461-A465 PolarHBondContact O-N 3.45Å |
| 462 | K | 57.3 | Low | 59.2 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.5 | -31.8 | 176.2 | -155.3 | 170.4 | -173.1 | 177.4 | 0 | 112.2 | P458 T459 F460 L466 | P458-K462 HydrophobicContact CB-CB 4.32Å; T459-K462 WeakPolarHBondContact O-CA 3.38Å; T459-K462 WeakPolarHBondContact O-CB 3.23Å; T459-K462 PolarHBondContact O-N 3.42Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 3.42Å; K462-L466 WeakPolarHBondContact O-CD1 3.26Å; K462-L466 WeakPolarHBondContact O-CG 3.37Å; K462-L466 PolarHBondContact O-N 3.03Å |
| 463 | Y | 57.8 | Low | 59 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 29% | 0.286 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 170.2 | -83.6 | -84.5 | 0 | 0 | 0 | 111.8 | P458 T459 F460 A465 L466 N467 V473 | P458-Y463 HydrophobicContact CB-CD2 3.89Å; P458-Y463 HydrophobicContact CB-CE2 3.56Å; P458-Y463 HydrophobicContact CG-CD2 4.47Å; P458-Y463 HydrophobicContact CG-CE2 3.71Å; P458-Y463 WeakPolarHBondContact O-CE2 3.38Å; T459-Y463 PolarHBondContact O-N 2.64Å; F460-Y463 WeakPolarHBondContact O-CB 3.33Å; F460-Y463 PolarHBondContact O-N 3.3Å; Y463-A465 VanDerWaalsContact C-N 3.34Å; Y463-A465 PolarHBondContact O-N 3.29Å; Y463-L466 PolarHBondContact O-N 3.49Å; Y463-N467 PolarHBondContact O-N 3.32Å; Y463-N467 PolarHBondContact O-OD1 3.12Å; Y463-V473 HydrophobicContact CD1-CB 3.77Å; Y463-V473 HydrophobicContact CD1-CG1 3.88Å; Y463-V473 HydrophobicContact CD1-CG2 4.25Å; Y463-V473 HydrophobicContact CE1-CB 3.71Å; Y463-V473 HydrophobicContact CE1-CG1 3.42Å; Y463-V473 VanDerWaalsContact CE1-CG1 3.42Å |
| 464 | L | 59.3 | Low | 58.6 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.8 | -42.7 | 176.4 | -85.3 | 154.9 | 0 | 0 | 0 | 112.5 | F460 L466 G468 | F460-L464 HydrophobicContact CD1-CD1 3.78Å; F460-L464 HydrophobicContact CE1-CD1 3.51Å; F460-L464 HydrophobicContact CZ-CD1 4.14Å; F460-L464 PolarHBondContact O-N 2.94Å; F460-L464 VanDerWaalsContact O-N 3.15Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 2.94Å; L464-G468 PolarHBondContact O-N 3.46Å; L464-G468 VanDerWaalsContact O-N 3.08Å |
| 465 | A | 60.7 | Low | 58.4 | Low | 62 Ų | 62 | 113.2 Ų | 113.2 | 51% | 0.512 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -25.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S461 Y463 | S461-A465 PolarHBondContact O-N 3.45Å; Y463-A465 VanDerWaalsContact C-N 3.34Å; Y463-A465 PolarHBondContact O-N 3.29Å |
| 466 | L | 56.8 | Low | 57.9 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 34% | 0.335 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -86.4 | -43.5 | 177.7 | -72.4 | 166.7 | 0 | 0 | 0 | 112 | K462 Y463 L464 G468 R469 V473 | K462-L466 WeakPolarHBondContact O-CD1 3.26Å; K462-L466 WeakPolarHBondContact O-CG 3.37Å; K462-L466 PolarHBondContact O-N 3.03Å; Y463-L466 PolarHBondContact O-N 3.49Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 2.94Å; L466-G468 VanDerWaalsContact C-N 3.25Å; L466-G468 PolarHBondContact O-N 3.22Å; L466-R469 PolarHBondContact O-N 3.03Å; L466-V473 HydrophobicContact CB-CG2 3.71Å; L466-V473 HydrophobicContact CD1-CG2 4.05Å |
| 467 | N | 55 | Low | 57.3 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.5 | -35.3 | 175.3 | -73.5 | 17.5 | 0 | 0 | 0 | 111.6 | Y463 R469 G470 L471 | Y463-N467 PolarHBondContact O-N 3.32Å; Y463-N467 PolarHBondContact O-OD1 3.12Å; N467-R469 PolarHBondContact O-N 2.88Å; N467-G470 PolarHBondContact O-N 2.94Å; N467-L471 PolarHBondContact OD1-O 3.19Å |
| 468 | G | 57.8 | Low | 56.6 | Low | 70 Ų | 70 | 102 Ų | 102 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -4.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L464 L466 | L464-G468 PolarHBondContact O-N 3.46Å; L464-G468 VanDerWaalsContact O-N 3.08Å; L466-G468 VanDerWaalsContact C-N 3.25Å; L466-G468 PolarHBondContact O-N 3.22Å |
| 469 | R | 59.4 | Low | 56.2 | Low | 213 Ų | 213 | 106.1 Ų | 106.1 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 14.1 | 172.9 | -66.3 | -175.4 | 174 | -176.4 | -2 | 113.2 | L466 N467 L471 | L466-R469 PolarHBondContact O-N 3.03Å; N467-R469 PolarHBondContact O-N 2.88Å; R469-L471 PolarHBondContact O-N 2.89Å |
| 470 | G | 56.6 | Low | 55.4 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.4 | 11.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N467 | N467-G470 PolarHBondContact O-N 2.94Š|
| 471 | L | 57.8 | Low | 54.6 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | trans | -96.2 | 110.3 | 175.8 | -73.3 | 164.3 | 0 | 0 | 0 | 110.1 | N467 R469 V473 | N467-L471 PolarHBondContact OD1-O 3.19Å; R469-L471 PolarHBondContact O-N 2.89Å; L471-V473 PolarHBondContact O-N 2.87Å; L471-V473 VanDerWaalsContact O-N 3.15Å | ||
| 472 | D | 58.1 | Low | 53.7 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 46% | 0.46 | 59% | 0.592 | S | S | . | * | trans | -77.6 | 99.3 | 176 | -175.4 | 9.1 | 0 | 0 | 0 | 111.7 | K474 Q475 | D472-K474 PolarHBondContact O-N 3.37Å; D472-K474 WeakPolarHBondContact OD1-CB 3.29Å; D472-K474 PolarHBondContact OD1-N 3.3Å; D472-Q475 PolarHBondContact O-N 2.89Å | ||
| 473 | V | 57.2 | Low | 52.9 | Low | 18 Ų | 18 | 112.5 Ų | 112.5 | 11% | 0.109 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -9 | -179.5 | -160.4 | 0 | 0 | 0 | 0 | 112.5 | Y463 L466 L471 F477 | Y463-V473 HydrophobicContact CD1-CB 3.77Å; Y463-V473 HydrophobicContact CD1-CG1 3.88Å; Y463-V473 HydrophobicContact CD1-CG2 4.25Å; Y463-V473 HydrophobicContact CE1-CB 3.71Å; Y463-V473 HydrophobicContact CE1-CG1 3.42Å; Y463-V473 VanDerWaalsContact CE1-CG1 3.42Å; L466-V473 HydrophobicContact CB-CG2 3.71Å; L466-V473 HydrophobicContact CD1-CG2 4.05Å; L471-V473 PolarHBondContact O-N 2.87Å; L471-V473 VanDerWaalsContact O-N 3.15Å; V473-F477 HydrophobicContact CG1-CD2 4.14Å; V473-F477 HydrophobicContact CG1-CE2 4.14Å |
| 474 | K | 53.2 | Low | 52.2 | Low | 172 Ų | 172 | 116.7 Ų | 116.7 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -38.1 | 173.8 | -73.5 | -175.3 | 173.5 | -179.2 | 0 | 112.8 | D472 A476 | D472-K474 PolarHBondContact O-N 3.37Å; D472-K474 WeakPolarHBondContact OD1-CB 3.29Å; D472-K474 PolarHBondContact OD1-N 3.3Å; K474-A476 VanDerWaalsContact C-N 3.34Å |
| 475 | Q | 54 | Low | 51.6 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -67 | -36 | 176.8 | -83.3 | -175.7 | -21.8 | 0 | 0 | 112.2 | D472 F477 | D472-Q475 PolarHBondContact O-N 2.89Å; Q475-F477 PolarHBondContact O-N 2.7Å; Q475-F477 VanDerWaalsContact O-N 3.11Å |
| 476 | A | 51.8 | Low | 50.7 | Low | 78 Ų | 78 | 126.8 Ų | 126.8 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -67.4 | -8.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K474 | K474-A476 VanDerWaalsContact C-N 3.34Š|
| 477 | F | 49.5 | Very low | 49.8 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -129.8 | 16.1 | -175.8 | -77.9 | -78.2 | 0 | 0 | 0 | 114.2 | V473 Q475 P479 | V473-F477 HydrophobicContact CG1-CD2 4.14Å; V473-F477 HydrophobicContact CG1-CE2 4.14Å; Q475-F477 PolarHBondContact O-N 2.7Å; Q475-F477 VanDerWaalsContact O-N 3.11Å; F477-P479 WeakPolarHBondContact O-CD 3.29Å |
| 478 | N | 44.8 | Very low | 49.1 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 55% | 0.551 | 70% | 0.702 | S | S | * | * | trans | -81.2 | 118.4 | 174.9 | -164.1 | 27.3 | 0 | 0 | 0 | 110.5 | E480 G481 | N478-E480 PolarHBondContact O-N 2.83Å; N478-E480 VanDerWaalsContact O-N 3.16Å; N478-G481 PolarHBondContact O-N 2.84Å | ||
| 479 | P | 49.3 | Very low | 48.5 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -3.8 | -170.7 | 29.8 | -36.7 | 0 | 0 | 0 | 115.5 | F477 | F477-P479 WeakPolarHBondContact O-CD 3.29Š|
| 480 | E | 48.1 | Very low | 47.7 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 15.9 | 176.6 | -63.8 | -173.6 | 155.2 | 0 | 0 | 113 | N478 | N478-E480 PolarHBondContact O-N 2.83Å; N478-E480 VanDerWaalsContact O-N 3.16Å |
| 481 | G | 42.3 | Very low | 47.1 | Very low | 47 Ų | 47 | 129.9 Ų | 129.9 | 49% | 0.485 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -86.6 | 131.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N478 F483 | N478-G481 PolarHBondContact O-N 2.84Å; G481-F483 PolarHBondContact O-N 3.13Å; G481-F483 VanDerWaalsContact O-N 3.17Å |
| 482 | E | 40.7 | Very low | 46.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -47.9 | 113.9 | -176.7 | -64.4 | -176.9 | 135.6 | 0 | 0 | 114.3 | Q484 | E482-Q484 PolarHBondContact O-N 3.06Š| ||
| 483 | F | 39.8 | Very low | 45 | Very low | 219 Ų | 219 | 139.2 Ų | 139.2 | 96% | 0.961 | 74% | 0.743 | S | S | * | * | trans | -80.6 | 33.5 | 166.6 | -126.4 | -85.7 | 0 | 0 | 0 | 112.3 | G481 | G481-F483 PolarHBondContact O-N 3.13Å; G481-F483 VanDerWaalsContact O-N 3.17Å | ||
| 484 | Q | 44.4 | Very low | 43.9 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -134.3 | 62.9 | -175 | -85.1 | -177.2 | -22.2 | 0 | 0 | 112.2 | E482 | E482-Q484 PolarHBondContact O-N 3.06Š| ||
| 485 | R | 46.2 | Very low | 43 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -179.3 | 91.2 | 147.7 | -98.3 | 147.2 | -172.9 | -154 | 2.3 | 110.5 | ||
| 486 | L | 42.4 | Very low | 42.4 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -171.9 | -18.6 | 152 | -105 | 157.6 | 0 | 0 | 0 | 112.6 | A488 | L486-A488 PolarHBondContact O-N 2.99Š|
| 487 | A | 38.2 | Very low | 41.7 | Very low | 114 Ų | 114 | 151 Ų | 151 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 31.5 | 168 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 488 | A | 39.3 | Very low | 41 | Very low | 90 Ų | 90 | 156 Ų | 156 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 8.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L486 | L486-A488 PolarHBondContact O-N 2.99Š|
| 489 | Q | 44.7 | Very low | 40.8 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 85% | 0.85 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -136.9 | 42.8 | 178.3 | -75.5 | -167.2 | -19.2 | 0 | 0 | 113.7 | ||
| 490 | S | 43.1 | Very low | 40.3 | Very low | 105 Ų | 105 | 160.5 Ų | 160.5 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -162.6 | 84.4 | 154.2 | 58.7 | 0 | 0 | 0 | 0 | 108.8 | L492 | S490-L492 PolarHBondContact O-N 3.42Å; S490-L492 VanDerWaalsContact O-N 3.13Å |
| 491 | G | 44.8 | Very low | 39.9 | Very low | 80 Ų | 80 | 159.2 Ų | 159.2 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -69.2 | 108.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 492 | L | 35 | Very low | 39.8 | Very low | 168 Ų | 168 | 165.8 Ų | 165.8 | 88% | 0.88 | 87% | 0.867 | S | S | * | * | trans | -136.3 | 110.8 | 158.9 | -71.7 | 176.3 | 0 | 0 | 0 | 107.8 | S490 | S490-L492 PolarHBondContact O-N 3.42Å; S490-L492 VanDerWaalsContact O-N 3.13Å | ||
| 493 | Y | 35 | Very low | 39.7 | Very low | 225 Ų | 225 | 165.8 Ų | 165.8 | 88% | 0.882 | 87% | 0.873 | S | S | * | * | trans | -65.8 | 147 | 157.1 | -82.1 | -110.7 | 0 | 0 | 0 | 108.4 | ||||
| 494 | E | 36.1 | Very low | 39.7 | Very low | 186 Ų | 186 | 162.3 Ų | 162.3 | 87% | 0.869 | 87% | 0.867 | S | S | * | * | -176.7 | 152.6 | 110.5 | -103 | -177.4 | 148.8 | 0 | 0 | 115.8 | |||||
| 495 | S | 34.3 | Very low | 39.4 | Very low | 108 Ų | 108 | 162.4 Ų | 162.4 | 76% | 0.755 | 88% | 0.875 | S | S | * | * | trans | 46.3 | 114.6 | 158.7 | 62 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 496 | E | 40.1 | Very low | 38.8 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 94% | 0.939 | 88% | 0.877 | S | S | * | * | trans | -68.9 | 114.2 | 146.4 | -65 | 179.2 | 131.3 | 0 | 0 | 110.4 | ||||
| 497 | E | 36.6 | Very low | 38.6 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 85% | 0.85 | 88% | 0.883 | S | S | * | * | trans | -161.5 | 111.5 | 151.2 | -126 | -175.8 | -163 | 0 | 0 | 109.2 | ||||
| 498 | L | 35.3 | Very low | 38.6 | Very low | 252 Ų | 252 | 161.7 Ų | 161.7 | 100% | 1.319 | 88% | 0.877 | S | S | * | * | trans | 177.1 | 0 | 153.9 | -100.1 | 163.3 | 0 | 0 | 0 | 112.2 |
Retrieved 498 of 498 residues in 567.4 ms
(Link to these results)