| 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 | 32.7 | Very low | 35.6 | Very low | 247 Ų | 247 | 151.1 Ų | 151.1 | 100% | 1.217 | 79% | 0.788 | S | S | * | * | 0 | 148.5 | 0 | -80.2 | 155.7 | 164.8 | 0 | 0 | 108.6 | |||||
| 2 | T | 37.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -71.3 | 150.9 | -177.7 | 39 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | H | 33.1 | Very low | 35.7 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | 166.2 | 125.6 | 110.9 | -87.6 | -72.2 | 0 | 0 | 0 | 112.9 | |||||
| 4 | H | 34.6 | Very low | 36 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -4.3 | 171 | 134.6 | -68.4 | -69.5 | 0 | 0 | 0 | 120.4 | ||||
| 5 | P | 49.1 | Very low | 36.3 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -134 | -174.3 | -32.4 | 35.2 | -17.8 | 0 | 0 | 0 | 111.3 | ||||
| 6 | N | 32.5 | Very low | 36.2 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -126.2 | 122.5 | 160.8 | -163.5 | -3.3 | 0 | 0 | 0 | 109.9 | ||||
| 7 | N | 32.8 | Very low | 35.9 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -156.5 | 112.2 | 179.1 | -159.5 | 22.6 | 0 | 0 | 0 | 110.8 | ||||
| 8 | S | 31.9 | Very low | 36 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -163.6 | 95.8 | 166.1 | -163.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 9 | V | 35.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | 71.1 | 131.7 | 63.9 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 10 | R | 35.9 | Very low | 36.2 | Very low | 218 Ų | 218 | 143.8 Ų | 143.8 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | trans | 106.9 | 130.4 | 174.8 | -64.2 | -172.8 | -164.2 | 174.5 | 4.6 | 115.2 | ||||
| 11 | D | 36.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | cis | -149.9 | 144.6 | -17.5 | -81.1 | -47.8 | 0 | 0 | 0 | 105.4 | ||||
| 12 | H | 34.7 | Very low | 36.2 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | 42.8 | 132.2 | 80.7 | -93.8 | -148.2 | 0 | 0 | 0 | 114.1 | |||||
| 13 | M | 37.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 58% | 0.576 | 76% | 0.757 | S | S | * | * | cis | -171.5 | 152.3 | 0.1 | -132 | -175.4 | -179.1 | 0 | 0 | 110.5 | ||||
| 14 | K | 40.4 | Very low | 36.5 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 149.1 | 148.1 | -73.8 | 164.7 | 178 | 165 | 0 | 118.8 | ||||
| 15 | W | 40 | Very low | 36.9 | Very low | 241 Ų | 241 | 137.4 Ų | 137.4 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | cis | -173.4 | 177.7 | -18.1 | -123.6 | 22.1 | 0 | 0 | 0 | 107.9 | ||||
| 16 | A | 35.6 | Very low | 36.3 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | cis | -161.1 | 171.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | G | 30.4 | Very low | 36.4 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 114.5 | 130.8 | 157 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 18 | L | 38.3 | Very low | 36.5 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | cis | 179 | 144.5 | -11 | -125.9 | 170.4 | 0 | 0 | 0 | 105.7 | ||||
| 19 | L | 44.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | 67.9 | 129.2 | 176 | -42.5 | 173.6 | 0 | 0 | 0 | 114.8 | ||||
| 20 | G | 32.1 | Very low | 36.9 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | 153.7 | 142.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 21 | C | 33.7 | Very low | 37 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | cis | -148 | 141.2 | 15.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | E | 34.1 | Very low | 37.2 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -83.6 | 172.6 | 145.8 | -57.9 | -175.7 | 118.6 | 0 | 0 | 107.5 | ||||
| 23 | A | 39.6 | Very low | 37.4 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -158.5 | 138.7 | 23.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 24 | V | 37.5 | Very low | 37.4 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 92.6 | 141.1 | 97 | 171.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 25 | L | 43.3 | Very low | 37.3 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 153 | -178.9 | -57.3 | 152.8 | 0 | 0 | 0 | 112.2 | ||||
| 26 | S | 36.8 | Very low | 37.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 163.8 | 153.4 | 99.5 | -156.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 27 | S | 33.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | 78.2 | 115.2 | 144.3 | -62 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 28 | M | 35.6 | Very low | 37.2 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 94% | 0.941 | 81% | 0.814 | S | S | * | * | 84.8 | 146.5 | 126.4 | -70.4 | 177.1 | 160.6 | 0 | 0 | 121.1 | |||||
| 29 | A | 37 | Very low | 37 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -101.4 | 157.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | L | 38.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | -162.1 | 140.5 | 128.4 | -131.9 | 79.7 | 0 | 0 | 0 | 113 | |||||
| 31 | M | 37.5 | Very low | 37 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | 17.6 | 127.1 | 142.5 | -68.1 | -79.4 | 177.4 | 0 | 0 | 120 | ||||
| 32 | Q | 41.4 | Very low | 37 | Very low | 200 Ų | 200 | 144 Ų | 144 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | -161.2 | 154.1 | 101.9 | -105.5 | 165.7 | 66 | 0 | 0 | 112.5 | |||||
| 33 | A | 38.6 | Very low | 36.9 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -97.6 | 162.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 34 | N | 37.6 | Very low | 36.4 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | trans | -147.2 | 152.4 | 136.2 | -100.9 | -36.3 | 0 | 0 | 0 | 110.8 | ||||
| 35 | N | 38.7 | Very low | 36.4 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -126.2 | -178.5 | -159.5 | -169.4 | 7.4 | 0 | 0 | 0 | 110.3 | ||||
| 36 | M | 36.6 | Very low | 35.8 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | 77.2 | 138.2 | 173.3 | -41.9 | -175.3 | 78.2 | 0 | 0 | 113.5 | ||||
| 37 | S | 34.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | cis | -152 | 166.5 | 2.9 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 38 | G | 31 | Very low | 35.8 | Very low | 78 Ų | 78 | 152.6 Ų | 152.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | cis | -179.2 | 138.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 39 | G | 35.5 | Very low | 35.5 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -114.8 | 137.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | Q | 34.3 | Very low | 35.4 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -135.2 | 112 | 164.3 | -73.6 | -162.1 | -37.7 | 0 | 0 | 111.2 | ||||
| 41 | K | 41.2 | Very low | 35 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -70.5 | 141.9 | 155.4 | -61.7 | 174.6 | 177.9 | 179.1 | 0 | 108.1 | ||||
| 42 | K | 33.2 | Very low | 34.8 | Very low | 206 Ų | 206 | 152 Ų | 152 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -140.4 | 152.4 | 143.1 | -79.3 | -159.6 | 177.7 | 179.1 | 0 | 110.8 | ||||
| 43 | M | 31.7 | Very low | 34.4 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -127.9 | 136.2 | -172.3 | 176.2 | 167.5 | 66.6 | 0 | 0 | 106.7 | ||||
| 44 | S | 30.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -156.5 | 137.9 | 167.1 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 45 | Q | 37 | Very low | 34.2 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 155.7 | 172.1 | -65.3 | 164 | -43.6 | 0 | 0 | 109.9 | ||||
| 46 | H | 30.4 | Very low | 34.2 | Very low | 177 Ų | 177 | 149 Ų | 149 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -158.6 | 144.9 | 140.2 | -155.6 | -84 | 0 | 0 | 0 | 111.7 | ||||
| 47 | D | 35.3 | Very low | 34 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | -55.6 | 167.5 | 169.7 | -81.9 | -77.3 | 0 | 0 | 0 | 115.2 | ||||
| 48 | Q | 36 | Very low | 33.7 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | cis | -160.2 | 164.5 | 12.8 | -132.5 | 131.7 | 39.5 | 0 | 0 | 110.7 | ||||
| 49 | G | 27.9 | Very low | 33.8 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 173.3 | 31.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 50 | Q | 35.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 18.2 | 142.3 | 157.1 | -73.7 | 179.2 | -17.3 | 0 | 0 | 124.8 | ||||
| 51 | R | 31.5 | Very low | 33.6 | Very low | 214 Ų | 214 | 157 Ų | 157 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 83.6 | 137.5 | 162.1 | -62.9 | -169.9 | -71.5 | -165.3 | -0.8 | 117.9 | ||||
| 52 | D | 31.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | cis | -160.2 | 145.2 | -7.2 | -102.3 | -26.5 | 0 | 0 | 0 | 112.7 | ||||
| 53 | I | 33.5 | Very low | 33 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 55.8 | 98 | 144.6 | -50.8 | 163 | 0 | 0 | 0 | 120.1 | ||||
| 54 | N | 35.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | -178.3 | 162.2 | 111.7 | -100 | -52.3 | 0 | 0 | 0 | 115.3 | |||||
| 55 | N | 36.4 | Very low | 33.4 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -92.3 | -172.4 | -163.1 | -145.7 | 18.5 | 0 | 0 | 0 | 113.8 | ||||
| 56 | P | 39.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | -126.4 | -174.5 | -109.9 | 43 | -24.2 | 0 | 0 | 0 | 116.2 | |||||
| 57 | E | 32.7 | Very low | 33.2 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -24.9 | 146.5 | 165.5 | -51.2 | 171.4 | 113.8 | 0 | 0 | 116 | ||||
| 58 | S | 27.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -168.2 | -170 | 43.5 | 65.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 59 | H | 34.2 | Very low | 32.8 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | cis | -146.5 | 119 | 4.1 | -123.8 | -47.7 | 0 | 0 | 0 | 111.4 | ||||
| 60 | Q | 31.1 | Very low | 33 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 10.5 | 105.4 | 144.1 | -161.1 | 166.2 | 19.1 | 0 | 0 | 119.9 | ||||
| 61 | Q | 33.4 | Very low | 32.9 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -89.1 | 126.6 | 158.1 | -78.9 | -179.4 | -18.3 | 0 | 0 | 110.7 | ||||
| 62 | Q | 33.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 125.6 | 179.7 | -69.4 | 172.4 | -14.7 | 0 | 0 | 111.4 | H64 | Q62-H64 PolarHBondContact O-N 3.25Å; Q62-H64 VanDerWaalsContact O-N 3.07Å | ||
| 63 | S | 29.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | -77.8 | 85.2 | 174.1 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | Q65 | S63-Q65 PolarHBondContact O-N 3.12Š| ||
| 64 | H | 35.1 | Very low | 32.7 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 100.9 | 167.9 | -79 | -89 | 0 | 0 | 0 | 110.6 | Q62 S66 | Q62-H64 PolarHBondContact O-N 3.25Å; Q62-H64 VanDerWaalsContact O-N 3.07Å; H64-S66 VanDerWaalsContact C-N 3.33Å; H64-S66 PolarHBondContact O-N 2.84Å | ||
| 65 | Q | 34 | Very low | 32.6 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 87.3 | 169.7 | -73.7 | -178.2 | -11.8 | 0 | 0 | 110.7 | S63 H67 | S63-Q65 PolarHBondContact O-N 3.12Å; Q65-H67 PolarHBondContact O-N 3.02Å; Q65-H67 VanDerWaalsContact O-N 3.14Å; Q65-H67 PolarHBondContact O-ND1 3.02Å; Q65-H67 VanDerWaalsContact O-ND1 3.13Å | ||
| 66 | S | 30.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -63 | 112.2 | 169.2 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | H64 H68 | H64-S66 VanDerWaalsContact C-N 3.33Å; H64-S66 PolarHBondContact O-N 2.84Å; S66-H68 PolarHBondContact O-N 2.6Å | ||
| 67 | H | 33.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -66 | 103.4 | 179 | -76.2 | 42.7 | 0 | 0 | 0 | 110.8 | Q65 N69 | Q65-H67 PolarHBondContact O-N 3.02Å; Q65-H67 VanDerWaalsContact O-N 3.14Å; Q65-H67 PolarHBondContact O-ND1 3.02Å; Q65-H67 VanDerWaalsContact O-ND1 3.13Å; H67-N69 PolarHBondContact O-N 2.75Å; H67-N69 VanDerWaalsContact O-N 3.17Å | ||
| 68 | H | 33.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -76.4 | 98.1 | 164.7 | -87.6 | -66.8 | 0 | 0 | 0 | 109.6 | S66 N70 | S66-H68 PolarHBondContact O-N 2.6Å; H68-N70 VanDerWaalsContact C-N 3.34Å; H68-N70 PolarHBondContact O-N 3.21Å | ||
| 69 | N | 30.1 | Very low | 32.2 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -63.2 | 94 | 169 | -80.5 | -20.4 | 0 | 0 | 0 | 110.3 | H67 H71 | H67-N69 PolarHBondContact O-N 2.75Å; H67-N69 VanDerWaalsContact O-N 3.17Å; N69-H71 PolarHBondContact O-N 3.01Å; N69-H71 VanDerWaalsContact O-N 3.11Å | ||
| 70 | N | 31 | Very low | 32 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | -74 | 91.1 | 171.9 | -179.4 | 20.9 | 0 | 0 | 0 | 109.5 | H68 Q72 | H68-N70 VanDerWaalsContact C-N 3.34Å; H68-N70 PolarHBondContact O-N 3.21Å; N70-Q72 PolarHBondContact O-N 2.67Å | ||
| 71 | H | 33.7 | Very low | 32.1 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -73.9 | 80.6 | 170.5 | -112.1 | -66.7 | 0 | 0 | 0 | 110.1 | N69 S73 | N69-H71 PolarHBondContact O-N 3.01Å; N69-H71 VanDerWaalsContact O-N 3.11Å; H71-S73 PolarHBondContact O-N 3.35Å; H71-S73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | Q | 31 | Very low | 32.1 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 103.7 | 160.4 | -92.2 | 176.9 | -27.4 | 0 | 0 | 108.5 | N70 H74 | N70-Q72 PolarHBondContact O-N 2.67Å; Q72-H74 PolarHBondContact O-CD2 2.77Å; Q72-H74 PolarHBondContact O-N 2.99Å | ||
| 73 | S | 29.9 | Very low | 32.3 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 106.8 | 162.8 | -70.3 | 0 | 0 | 0 | 0 | 108.5 | H71 H75 | H71-S73 PolarHBondContact O-N 3.35Å; H71-S73 VanDerWaalsContact O-N 3.12Å; S73-H75 PolarHBondContact O-N 3.06Å; S73-H75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | H | 33.2 | Very low | 32.3 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -62 | 111.2 | 173.3 | -74.7 | -107.7 | 0 | 0 | 0 | 109.8 | Q72 S76 | Q72-H74 PolarHBondContact O-CD2 2.77Å; Q72-H74 PolarHBondContact O-N 2.99Å; H74-S76 PolarHBondContact O-N 2.89Å; H74-S76 VanDerWaalsContact O-N 3.12Å | ||
| 75 | H | 31.8 | Very low | 32 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -79.6 | 87.8 | 168.1 | -127 | -82.2 | 0 | 0 | 0 | 108.2 | S73 H77 | S73-H75 PolarHBondContact O-N 3.06Å; S73-H75 VanDerWaalsContact O-N 3.12Å; H75-H77 PolarHBondContact O-N 3.42Å; H75-H77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | S | 28.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -66.9 | 110.5 | 173.4 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | H74 M78 | H74-S76 PolarHBondContact O-N 2.89Å; H74-S76 VanDerWaalsContact O-N 3.12Å; S76-M78 PolarHBondContact O-N 3.3Å; S76-M78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | H | 30.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 104 | 170.3 | -81 | -107.6 | 0 | 0 | 0 | 109.6 | H75 | H75-H77 PolarHBondContact O-N 3.42Å; H75-H77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | M | 30 | Very low | 32.6 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -84.5 | 110.2 | 164.7 | -70.7 | -68.5 | -179.7 | 0 | 0 | 108.6 | S76 | S76-M78 PolarHBondContact O-N 3.3Å; S76-M78 VanDerWaalsContact O-N 3.11Å | ||
| 79 | V | 38.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -92.3 | 117.1 | 169 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 80 | L | 31 | Very low | 32.4 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -136.8 | 156.6 | 170.7 | -79.3 | 179.5 | 0 | 0 | 0 | 110.1 | ||||
| 81 | P | 32.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -88.3 | 178.7 | -150.7 | 34.6 | -37.8 | 0 | 0 | 0 | 115.9 | ||||
| 82 | L | 33.5 | Very low | 32.2 | Very low | 180 Ų | 180 | 142 Ų | 142 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 147.9 | -169.1 | -61.4 | 161.1 | 0 | 0 | 0 | 115.3 | ||||
| 83 | G | 37.4 | Very low | 32.4 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 91.6 | 128.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 84 | V | 30.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | cis | -137.7 | 164.8 | 32.3 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 85 | S | 28.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -55.1 | 141.7 | -171 | 51.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 86 | C | 29.9 | Very low | 32.4 | Very low | 127 Ų | 127 | 140 Ų | 140 | 86% | 0.858 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 170.5 | 159.3 | -104 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | P | 41.7 | Very low | 32.3 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -107.6 | 174.4 | -135.9 | 40.9 | -39.9 | 0 | 0 | 0 | 115.8 | ||||
| 88 | P | 38.7 | Very low | 32.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -114.3 | 130.6 | 154 | 30.2 | -15.5 | 0 | 0 | 0 | 113.5 | ||||
| 89 | L | 30.7 | Very low | 32.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 63.2 | 123.3 | 144 | -53.2 | 174.3 | 0 | 0 | 0 | 120 | ||||
| 90 | F | 27.3 | Very low | 31.9 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | -147.9 | 123 | 104.2 | -106.6 | -76.2 | 0 | 0 | 0 | 110.9 | |||||
| 91 | I | 32 | Very low | 32 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -113.9 | 126.1 | 162.9 | -64.3 | 176 | 0 | 0 | 0 | 106.7 | ||||
| 92 | R | 28.6 | Very low | 31.9 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -174.8 | 122.5 | 133.9 | -98.6 | 168.9 | 99.9 | 144.4 | 3.6 | 106.9 | ||||
| 93 | K | 35.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 140 Ų | 140 | 68% | 0.683 | 78% | 0.784 | S | S | * | * | 68.1 | 128.3 | 90.1 | -70.2 | -168.5 | -179.8 | -173.8 | 0 | 111.5 | |||||
| 94 | D | 27.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 126.5 | 169.9 | -40.9 | -38.7 | 0 | 0 | 0 | 114.1 | ||||
| 95 | G | 36.9 | Very low | 31.1 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | -95 | 179.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 96 | H | 30.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 83.3 | 101.5 | 178.7 | -43.1 | 116.7 | 0 | 0 | 0 | 116.3 | Q258 | H96-Q258 PolarHBondContact NE2-NE2 2.9Š| ||
| 97 | S | 27.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | -145 | 102.2 | 128.8 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 98 | C | 29.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 154 Ų | 154 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 120.1 | 169 | 42.8 | 0 | 0 | 0 | 0 | 108 | ||
| 99 | H | 31.3 | Very low | 30.5 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.1 | 170.8 | -88.3 | -79.1 | 0 | 0 | 0 | 110.2 | ||
| 100 | A | 30.2 | Very low | 30.6 | Very low | 89 Ų | 89 | 157.4 Ų | 157.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 153.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 101 | P | 33.3 | Very low | 30.6 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 150.9 | 163 | -17.3 | 31.9 | 0 | 0 | 0 | 112.1 | ||
| 102 | R | 29.8 | Very low | 30.4 | Very low | 246 Ų | 246 | 150.7 Ų | 150.7 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 143.5 | -172.7 | -173.9 | 173.3 | 178 | 158.7 | -2.3 | 112 | ||
| 103 | L | 29.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.9 | 175.4 | -67.7 | 159.4 | 0 | 0 | 0 | 113.1 | ||
| 104 | L | 28.7 | Very low | 30 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -132.7 | 135.9 | 150.8 | -73.2 | 177.7 | 0 | 0 | 0 | 108 | ||||
| 105 | D | 28.1 | Very low | 30 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 154.3 | -162 | -62.7 | -85.1 | 0 | 0 | 0 | 115.9 | ||||
| 106 | E | 33 | Very low | 29.6 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -82.4 | 130.2 | 164.9 | -70.3 | 175.4 | 94.3 | 0 | 0 | 111.8 | ||||
| 107 | K | 30.6 | Very low | 30 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -179.9 | 136.1 | 155.2 | -95.2 | 147 | -173.7 | 175.6 | 0 | 106.8 | ||||
| 108 | D | 28.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 152 Ų | 152 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | cis | -131.6 | 167 | 13.5 | -74.8 | -61 | 0 | 0 | 0 | 112.7 | ||||
| 109 | M | 32.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -126.7 | 148.7 | -170.9 | 168.9 | 167.6 | 58.5 | 0 | 0 | 112 | ||||
| 110 | Q | 32.5 | Very low | 30 | Very low | 167 Ų | 167 | 157.2 Ų | 157.2 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | 93.8 | 160.7 | 156.4 | -86.9 | 159.9 | 41.1 | 0 | 0 | 122.7 | ||||
| 111 | A | 27.3 | Very low | 30 | Very low | 95 Ų | 95 | 162.9 Ų | 162.9 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | 80.9 | 128.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 112 | S | 27.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 165.5 Ų | 165.5 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | cis | -140 | 155.9 | 9.8 | -80.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 113 | Q | 30.6 | Very low | 29.8 | Very low | 192 Ų | 192 | 165.3 Ų | 165.3 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -89.5 | 167.1 | 172.6 | -64.1 | 177.5 | -6.1 | 0 | 0 | 112.3 | ||||
| 114 | N | 26.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 168.2 Ų | 168.2 | 75% | 0.754 | 84% | 0.838 | S | S | * | * | trans | 103 | 104.2 | 146.8 | -158.3 | 15 | 0 | 0 | 0 | 118.9 | ||||
| 115 | T | 26.6 | Very low | 30.1 | Very low | 137 Ų | 137 | 166 Ų | 166 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | -166.7 | 142.1 | 120.2 | 18.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 116 | Q | 28.5 | Very low | 30.1 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | -113.5 | -165.5 | 174.3 | -70.1 | -160.9 | 2.1 | 0 | 0 | 110.2 | ||||
| 117 | P | 37.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 161.1 Ų | 161.1 | 68% | 0.675 | 84% | 0.836 | S | S | * | * | -128.9 | 159.5 | -72.1 | 36.5 | -22.4 | 0 | 0 | 0 | 112.9 | |||||
| 118 | T | 25.2 | Very low | 30.5 | Very low | 131 Ų | 131 | 158.2 Ų | 158.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -141.5 | 121.4 | 158.4 | 48.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 119 | K | 29.8 | Very low | 30.7 | Very low | 200 Ų | 200 | 156.8 Ų | 156.8 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | 63.2 | 102.9 | 136 | -60.9 | 178.2 | -175.9 | 174.9 | 0 | 120.7 | ||||
| 120 | K | 33.2 | Very low | 31 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -30.8 | 147.1 | 157 | -57 | 167 | 178.1 | 173.8 | 0 | 116.4 | ||||
| 121 | K | 30.5 | Very low | 31.4 | Very low | 209 Ų | 209 | 158.4 Ų | 158.4 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -151.3 | 171.3 | 136.2 | -109.6 | 167 | -171.5 | -179 | 0 | 111.4 | ||||
| 122 | H | 28.8 | Very low | 32 | Very low | 187 Ų | 187 | 163.4 Ų | 163.4 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | -80.3 | 158.8 | -144 | -77.8 | -33.7 | 0 | 0 | 0 | 119.4 | ||||
| 123 | R | 29.8 | Very low | 32.5 | Very low | 243 Ų | 243 | 166 Ų | 166 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -40 | 137.5 | 160.2 | -74.7 | 174.4 | 160.8 | 178.2 | -7 | 113 | ||||
| 124 | K | 30.6 | Very low | 32.9 | Very low | 208 Ų | 208 | 166.7 Ų | 166.7 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -130.7 | 130.3 | 133.7 | -71.5 | -171.5 | 179 | -179.7 | 0 | 108.3 | ||||
| 125 | S | 33.6 | Very low | 33.6 | Very low | 126 Ų | 126 | 166.1 Ų | 166.1 | 88% | 0.881 | 84% | 0.835 | S | S | * | * | trans | -78.1 | 130.5 | 179 | 41.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | A | 29.3 | Very low | 34.3 | Very low | 101 Ų | 101 | 167.4 Ų | 167.4 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -129.6 | 149.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 127 | T | 33.8 | Very low | 34.8 | Very low | 135 Ų | 135 | 168.1 Ų | 168.1 | 83% | 0.828 | 84% | 0.835 | S | S | * | * | trans | -76.6 | 162.1 | -166 | 31.2 | 0 | 0 | 0 | 0 | 114.2 | N129 | T127-N129 PolarHBondContact O-N 3.29Å; T127-N129 VanDerWaalsContact O-N 3.1Å | ||
| 128 | P | 37.5 | Very low | 35 | Very low | 130 Ų | 130 | 168.2 Ų | 168.2 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | trans | -80.3 | 99.5 | -164.7 | 31.6 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 129 | N | 33.4 | Very low | 35.7 | Very low | 127 Ų | 127 | 170 Ų | 170 | 68% | 0.679 | 83% | 0.832 | S | S | * | * | trans | -129.9 | 62.4 | 167.8 | -155.2 | -7.8 | 0 | 0 | 0 | 110.8 | T127 | T127-N129 PolarHBondContact O-N 3.29Å; T127-N129 VanDerWaalsContact O-N 3.1Å | ||
| 130 | K | 39.3 | Very low | 36.4 | Very low | 195 Ų | 195 | 165.3 Ų | 165.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -111 | 41.2 | -179.2 | -158.4 | 169.3 | -176.9 | 173.2 | 0 | 112.4 | ||||
| 131 | L | 40.5 | Very low | 36.5 | Very low | 166 Ų | 166 | 163.1 Ų | 163.1 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -138.5 | 28.4 | 175.3 | -95.3 | 167.8 | 0 | 0 | 0 | 111.7 | ||
| 132 | R | 40 | Very low | 37.5 | Very low | 200 Ų | 200 | 159.9 Ų | 159.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -132.3 | 29.8 | 179.1 | -153 | 178.7 | -178.3 | -92.8 | -1 | 113.9 | ||
| 133 | E | 37.8 | Very low | 38.1 | Very low | 175 Ų | 175 | 158 Ų | 158 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -134.4 | 23.6 | 177.2 | -90.3 | -179.7 | 129.9 | 0 | 0 | 112.2 | ||
| 134 | K | 38.6 | Very low | 38.5 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -143.9 | 31.5 | 174.7 | -113 | -176.9 | -177.1 | -173.2 | 0 | 113.5 | ||
| 135 | V | 40.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -128.5 | 30.8 | 175.7 | -159.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | E | 41.5 | Very low | 40.3 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 73.1 | 176.4 | -78 | 177.5 | 174.4 | 0 | 0 | 110 | ||||
| 137 | Q | 38.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -162.4 | 52.8 | 148.2 | -117.6 | 165.2 | 3 | 0 | 0 | 113.5 | ||
| 138 | V | 42.2 | Very low | 43 | Very low | 106 Ų | 106 | 153 Ų | 153 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -134.8 | 52.1 | 150.7 | -164 | 0 | 0 | 0 | 0 | 108.9 | M140 | V138-M140 HydrophobicContact CG1-CE 4.48Å; V138-M140 HydrophobicContact CG1-CG 4.3Å | ||
| 139 | E | 39.5 | Very low | 43.7 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 119.3 | 154.6 | -65.1 | -166.5 | 134.7 | 0 | 0 | 107 | ||||
| 140 | M | 45.4 | Very low | 45.1 | Very low | 101 Ų | 101 | 154.8 Ų | 154.8 | 50% | 0.498 | 79% | 0.789 | S | S | . | * | trans | -125.3 | 107.8 | 167.7 | -65.6 | -167.9 | -61.2 | 0 | 0 | 105.4 | V138 I142 Y168 | V138-M140 HydrophobicContact CG1-CE 4.48Å; V138-M140 HydrophobicContact CG1-CG 4.3Å; M140-I142 PolarHBondContact O-N 2.96Å; M140-Y168 HydrophobicContact CE-CE2 4.04Å; M140-Y168 HydrophobicContact SD-CE2 4.42Å | ||
| 141 | D | 35.3 | Very low | 46.1 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -54.6 | 124.4 | -174 | -58.5 | -66.9 | 0 | 0 | 0 | 111.2 | ||||
| 142 | I | 50.2 | Low | 47.2 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -92.3 | 133.2 | 167.7 | -58.6 | 178.6 | 0 | 0 | 0 | 105.8 | M140 | M140-I142 PolarHBondContact O-N 2.96Š|
| 143 | N | 41.5 | Very low | 48.8 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 91.5 | 80.2 | -172.7 | -46.5 | -33.6 | 0 | 0 | 0 | 113.7 | ||||
| 144 | G | 39.3 | Very low | 51.1 | Low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -131 | 80.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | D146 | G144-D146 PolarHBondContact O-N 3.25Š| ||
| 145 | D | 46.8 | Very low | 53.6 | Low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -74.4 | 100.3 | 171.8 | -69.2 | -56.8 | 0 | 0 | 0 | 109 | ||||
| 146 | D | 55 | Low | 56 | Low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -103 | 91.9 | 175.7 | -159.7 | -1.5 | 0 | 0 | 0 | 109.5 | G144 | G144-D146 PolarHBondContact O-N 3.25Š| ||
| 147 | H | 57.5 | Low | 58.5 | Low | 181 Ų | 181 | 127.8 Ų | 127.8 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -94.2 | 131.7 | 170.3 | -97.3 | 12.8 | 0 | 0 | 0 | 110.2 | ||||
| 148 | N | 62.3 | Low | 61 | Low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | 80.9 | 91.6 | 165.3 | -169.7 | 40.4 | 0 | 0 | 0 | 118 | ||||
| 149 | S | 51.3 | Low | 63.3 | Low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | -162.6 | 158.9 | 120.4 | -86.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 150 | Q | 63.4 | Low | 66 | Low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.6 | 163 | -173 | -67.6 | 160.5 | -29.1 | 0 | 0 | 112.5 | ||
| 151 | V | 59.3 | Low | 68.1 | Low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 70 | 92.2 | -161.5 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | K153 | V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 2.7Å |
| 152 | Q | 64.8 | Low | 70.8 | Confident | 137 Ų | 137 | 119.9 Ų | 119.9 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | trans | -70 | 88.3 | 175.9 | -165.9 | 165.2 | 51 | 0 | 0 | 109.8 | N154 | Q152-N154 PolarHBondContact O-N 2.49Š| ||
| 153 | K | 73 | Confident | 72.8 | Confident | 155 Ų | 155 | 116.3 Ų | 116.3 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | trans | -63.9 | 98.9 | -179.9 | -175.7 | 174.8 | -178.9 | 174.2 | 0 | 110.1 | V151 F155 | V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 2.7Å; K153-F155 VanDerWaalsContact O-CD2 3.29Å; K153-F155 WeakPolarHBondContact O-CD2 3.3Å; K153-F155 VanDerWaalsContact O-CE2 3.3Å; K153-F155 WeakPolarHBondContact O-CE2 3.43Å | ||
| 154 | N | 86.4 | Confident | 75.2 | Confident | 83 Ų | 83 | 111.5 Ų | 111.5 | 44% | 0.444 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -75 | 134.1 | 173.9 | -70.1 | -30.6 | 0 | 0 | 0 | 110.2 | Q152 A163 F164 | Q152-N154 PolarHBondContact O-N 2.49Å; N154-A163 HydrophobicContact CB-CB 4.31Å; N154-F164 WeakPolarHBondContact CA-O 3.5Å |
| 155 | F | 90.3 | Very high | 77.6 | Confident | 62 Ų | 62 | 117.3 Ų | 117.3 | 27% | 0.272 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 121 | 174.7 | -64.4 | -95.8 | 0 | 0 | 0 | 107.8 | K153 F164 S166 S167 L170 | K153-F155 VanDerWaalsContact O-CD2 3.29Å; K153-F155 WeakPolarHBondContact O-CD2 3.3Å; K153-F155 VanDerWaalsContact O-CE2 3.3Å; K153-F155 WeakPolarHBondContact O-CE2 3.43Å; F155-F164 HydrophobicContact CB-CB 4.5Å; F155-F164 PolarHBondContact N-O 3.14Å; F155-F164 WeakPolarHBondContact O-CD2 3.1Å; F155-F164 PolarHBondContact O-N 3.41Å; F155-S166 VanDerWaalsContact CD2-CA 3.47Å; F155-S167 VanDerWaalsContact CD2-N 3.33Å; F155-L170 HydrophobicContact CB-CB 3.94Å; F155-L170 HydrophobicContact CB-CD2 3.75Å; F155-L170 HydrophobicContact CB-CG 4.45Å |
| 156 | I | 91.5 | Very high | 79.7 | Confident | 96 Ų | 96 | 111.3 Ų | 111.3 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.2 | -172.7 | -58.1 | 174.6 | 0 | 0 | 0 | 109.6 | Y161 G162 L170 | I156-Y161 HydrophobicContact CG2-CD1 4.33Å; I156-G162 CarbonylContact C-O 3.6Å; I156-G162 WeakPolarHBondContact CA-O 3.48Å; I156-L170 WeakPolarHBondContact O-CD2 3.16Å |
| 157 | C | 93.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 106.7 Ų | 106.7 | 1% | 0.007 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 121.6 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | H159 C160 Y161 G162 F164 L170 H173 | C157-H159 PolarHBondContact O-N 2.86Å; C157-C160 PolarHBondContact O-N 3.23Å; C157-Y161 WeakPolarHBondContact O-CA 3.33Å; C157-Y161 PolarHBondContact O-N 2.96Å; C157-G162 PolarHBondContact N-O 3.04Å; C157-F164 HydrophobicContact CB-CE2 4.08Å; C157-L170 HydrophobicContact CB-CD1 3.56Å; C157-H173 WeakPolarHBondContact CB-NE2 3.49Å; C157-H173 VanDerWaalsContact SG-CD2 3.59Å; C157-H173 PolarHBondContact SG-NE2 3.19Å |
| 158 | E | 92.1 | Very high | 82.8 | Confident | 160 Ų | 160 | 103 Ų | 103 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.5 | -178.6 | -64.2 | 174 | 178.5 | 0 | 0 | 113.6 | ||
| 159 | H | 91.7 | Very high | 84.2 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -23.8 | -178.3 | -64.7 | 76.5 | 0 | 0 | 0 | 113.9 | C157 | C157-H159 PolarHBondContact O-N 2.86Š|
| 160 | C | 94.3 | Very high | 86.2 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.7 | 3.3 | -177.7 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | C157 G162 H173 | C157-C160 PolarHBondContact O-N 3.23Å; C160-G162 PolarHBondContact O-N 3.46Å; C160-H173 PolarHBondContact SG-NE2 3.39Å |
| 161 | Y | 91.4 | Very high | 87.5 | Confident | 183 Ų | 183 | 94 Ų | 94 | 72% | 0.718 | 46% | 0.462 | S | S | * | . | trans | 54.6 | 16.8 | -176.4 | -55.5 | -76.8 | 0 | 0 | 0 | 115.6 | I156 C157 | I156-Y161 HydrophobicContact CG2-CD1 4.33Å; C157-Y161 WeakPolarHBondContact O-CA 3.33Å; C157-Y161 PolarHBondContact O-N 2.96Å | ||
| 162 | G | 91 | Very high | 89.1 | Confident | 24 Ų | 24 | 90.6 Ų | 90.6 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | trans | -64.5 | 132.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I156 C157 C160 F164 | I156-G162 CarbonylContact C-O 3.6Å; I156-G162 WeakPolarHBondContact CA-O 3.48Å; C157-G162 PolarHBondContact N-O 3.04Å; C160-G162 PolarHBondContact O-N 3.46Å; G162-F164 VanDerWaalsContact O-CD2 3.32Å; G162-F164 WeakPolarHBondContact O-CD2 3.18Å; G162-F164 VanDerWaalsContact O-CE2 3.24Å; G162-F164 WeakPolarHBondContact O-CE2 3.36Å | ||
| 163 | A | 93.2 | Very high | 90.4 | Very high | 66 Ų | 66 | 85.8 Ų | 85.8 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N154 | N154-A163 HydrophobicContact CB-CB 4.31Å |
| 164 | F | 91.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 81.1 Ų | 81.1 | 20% | 0.202 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.2 | -176.7 | -61.5 | -87 | 0 | 0 | 0 | 111.3 | N154 F155 C157 G162 S166 H169 L170 H173 | N154-F164 WeakPolarHBondContact CA-O 3.5Å; F155-F164 HydrophobicContact CB-CB 4.5Å; F155-F164 PolarHBondContact N-O 3.14Å; F155-F164 WeakPolarHBondContact O-CD2 3.1Å; F155-F164 PolarHBondContact O-N 3.41Å; C157-F164 HydrophobicContact CB-CE2 4.08Å; G162-F164 VanDerWaalsContact O-CD2 3.32Å; G162-F164 WeakPolarHBondContact O-CD2 3.18Å; G162-F164 VanDerWaalsContact O-CE2 3.24Å; G162-F164 WeakPolarHBondContact O-CE2 3.36Å; F164-S166 PolarHBondContact O-N 3.02Å; F164-H169 HydrophobicContact CB-CB 4.13Å; F164-H169 HydrophobicContact CD1-CB 4.06Å; F164-H169 HydrophobicContact CG-CB 4.45Å; F164-L170 HydrophobicContact CB-CB 4.21Å; F164-L170 HydrophobicContact CD2-CB 4.07Å; F164-L170 HydrophobicContact CD2-CD1 3.79Å; F164-L170 HydrophobicContact CE2-CD1 4.01Å; F164-L170 HydrophobicContact CG-CB 4.25Å; F164-H173 HydrophobicContact CE1-CB 3.81Å; F164-H173 AromaticContact CE1-CG 3.94Å; F164-H173 HydrophobicContact CE2-CB 4.17Å; F164-H173 AromaticContact CE2-CD2 3.3Å; F164-H173 WeakPolarHBondContact CE2-CD2 3.46Å; F164-H173 AromaticContact CE2-CG 3.77Å; F164-H173 AromaticContact CE2-NE2 3.91Å; F164-H173 HydrophobicContact CZ-CB 3.57Å; F164-H173 AromaticContact CZ-CD2 3.25Å; F164-H173 WeakPolarHBondContact CZ-CD2 3.38Å; F164-H173 AromaticContact CZ-CG 3.22Å; F164-H173 AromaticContact CZ-ND1 3.79Å; F164-H173 AromaticContact CZ-NE2 3.81Å |
| 165 | R | 89.3 | Confident | 91.6 | Very high | 195 Ų | 195 | 78.7 Ų | 78.7 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -73.5 | -2.4 | -179.2 | -63.7 | -175.9 | 177.8 | 110.8 | 0.8 | 114.9 | ||
| 166 | S | 90.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -157.4 | 154.9 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | F155 F164 Y168 H169 L170 | F155-S166 VanDerWaalsContact CD2-CA 3.47Å; F164-S166 PolarHBondContact O-N 3.02Å; S166-Y168 VanDerWaalsContact C-N 3.32Å; S166-Y168 PolarHBondContact O-N 2.83Å; S166-H169 PolarHBondContact O-N 3.01Å; S166-H169 WeakPolarHBondContact OG-CB 3.28Å; S166-H169 PolarHBondContact OG-N 2.84Å; S166-H169 PolarHBondContact OG-ND1 3.28Å; S166-L170 PolarHBondContact O-N 3.01Å; S166-L170 VanDerWaalsContact O-N 3.17Å |
| 167 | S | 89.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 175.7 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | F155 H169 L170 K171 | F155-S167 VanDerWaalsContact CD2-N 3.33Å; S167-H169 PolarHBondContact O-N 2.9Å; S167-L170 PolarHBondContact O-N 2.85Å; S167-K171 WeakPolarHBondContact O-CG 3.48Å; S167-K171 PolarHBondContact O-N 2.86Å |
| 168 | Y | 89.3 | Confident | 91.6 | Very high | 104 Ų | 104 | 82 Ų | 82 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.9 | 173.2 | -105.5 | 0 | 0 | 0 | 112.1 | M140 S166 L170 K171 R172 | M140-Y168 HydrophobicContact CE-CE2 4.04Å; M140-Y168 HydrophobicContact SD-CE2 4.42Å; S166-Y168 VanDerWaalsContact C-N 3.32Å; S166-Y168 PolarHBondContact O-N 2.83Å; Y168-L170 VanDerWaalsContact C-N 3.35Å; Y168-L170 PolarHBondContact O-N 2.91Å; Y168-K171 PolarHBondContact O-N 3.46Å; Y168-R172 WeakPolarHBondContact O-CB 3.28Å; Y168-R172 PolarHBondContact O-N 3.1Å |
| 169 | H | 91.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 76.4 Ų | 76.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.5 | -78.8 | 69.7 | 0 | 0 | 0 | 111.9 | F164 S166 S167 R172 H173 | F164-H169 HydrophobicContact CB-CB 4.13Å; F164-H169 HydrophobicContact CD1-CB 4.06Å; F164-H169 HydrophobicContact CG-CB 4.45Å; S166-H169 PolarHBondContact O-N 3.01Å; S166-H169 WeakPolarHBondContact OG-CB 3.28Å; S166-H169 PolarHBondContact OG-N 2.84Å; S166-H169 PolarHBondContact OG-ND1 3.28Å; S167-H169 PolarHBondContact O-N 2.9Å; H169-R172 PolarHBondContact CD2-NH2 2.88Å; H169-R172 PolarHBondContact NE2-NH2 2.91Å; H169-R172 VanDerWaalsContact NE2-NH2 3.12Å; H169-H173 WeakPolarHBondContact O-CB 3.43Å; H169-H173 PolarHBondContact O-N 3Å; H169-H173 VanDerWaalsContact O-N 3.08Å |
| 170 | L | 92.5 | Very high | 91.4 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -52.6 | 174 | 172.9 | 60.3 | 0 | 0 | 0 | 112 | F155 I156 C157 F164 S166 S167 Y168 R172 H173 I174 | F155-L170 HydrophobicContact CB-CB 3.94Å; F155-L170 HydrophobicContact CB-CD2 3.75Å; F155-L170 HydrophobicContact CB-CG 4.45Å; I156-L170 WeakPolarHBondContact O-CD2 3.16Å; C157-L170 HydrophobicContact CB-CD1 3.56Å; F164-L170 HydrophobicContact CB-CB 4.21Å; F164-L170 HydrophobicContact CD2-CB 4.07Å; F164-L170 HydrophobicContact CD2-CD1 3.79Å; F164-L170 HydrophobicContact CE2-CD1 4.01Å; F164-L170 HydrophobicContact CG-CB 4.25Å; S166-L170 PolarHBondContact O-N 3.01Å; S166-L170 VanDerWaalsContact O-N 3.17Å; S167-L170 PolarHBondContact O-N 2.85Å; Y168-L170 VanDerWaalsContact C-N 3.35Å; Y168-L170 PolarHBondContact O-N 2.91Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.65Å; L170-H173 CarbonylContact O-C 3.56Å; L170-H173 WeakPolarHBondContact O-CA 3.38Å; L170-H173 WeakPolarHBondContact O-CB 3.21Å; L170-H173 PolarHBondContact O-N 3.03Å; L170-I174 HydrophobicContact CD1-CD1 3.97Å; L170-I174 HydrophobicContact CD1-CG1 4.02Å; L170-I174 HydrophobicContact CG-CD1 3.92Å; L170-I174 HydrophobicContact CG-CG1 4.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.28Å; L170-I174 PolarHBondContact O-N 3.1Å |
| 171 | K | 91.4 | Very high | 91.2 | Very high | 139 Ų | 139 | 77.5 Ų | 77.5 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -52.5 | -47.6 | 179.1 | -75.8 | -179.7 | 178.3 | -175.1 | 0 | 111.3 | S167 Y168 H173 I174 L175 | S167-K171 WeakPolarHBondContact O-CG 3.48Å; S167-K171 PolarHBondContact O-N 2.86Å; Y168-K171 PolarHBondContact O-N 3.46Å; K171-H173 VanDerWaalsContact C-N 3.31Å; K171-H173 PolarHBondContact O-N 3.09Å; K171-I174 PolarHBondContact O-N 2.89Å; K171-L175 PolarHBondContact O-N 2.89Å |
| 172 | R | 91.6 | Very high | 91.1 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 177 | -175.1 | -178.8 | 66.4 | -170.2 | -15.8 | 113.2 | Y168 H169 L170 L175 I193 Q194 | Y168-R172 WeakPolarHBondContact O-CB 3.28Å; Y168-R172 PolarHBondContact O-N 3.1Å; H169-R172 PolarHBondContact CD2-NH2 2.88Å; H169-R172 PolarHBondContact NE2-NH2 2.91Å; H169-R172 VanDerWaalsContact NE2-NH2 3.12Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.65Å; R172-L175 WeakPolarHBondContact O-CB 3.35Å; R172-I193 HydrophobicContact CG-CG2 4.05Å; R172-Q194 VanDerWaalsContact CD-OE1 3.23Å; R172-Q194 HydrophobicContact CG-CG 4.38Å |
| 173 | H | 92.3 | Very high | 91.2 | Very high | 36 Ų | 36 | 73.2 Ų | 73.2 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 174.3 | 162.1 | 67.9 | 0 | 0 | 0 | 112.2 | C157 C160 F164 H169 L170 K171 L175 T176 H177 | C157-H173 WeakPolarHBondContact CB-NE2 3.49Å; C157-H173 VanDerWaalsContact SG-CD2 3.59Å; C157-H173 PolarHBondContact SG-NE2 3.19Å; C160-H173 PolarHBondContact SG-NE2 3.39Å; F164-H173 HydrophobicContact CE1-CB 3.81Å; F164-H173 AromaticContact CE1-CG 3.94Å; F164-H173 HydrophobicContact CE2-CB 4.17Å; F164-H173 AromaticContact CE2-CD2 3.3Å; F164-H173 WeakPolarHBondContact CE2-CD2 3.46Å; F164-H173 AromaticContact CE2-CG 3.77Å; F164-H173 AromaticContact CE2-NE2 3.91Å; F164-H173 HydrophobicContact CZ-CB 3.57Å; F164-H173 AromaticContact CZ-CD2 3.25Å; F164-H173 WeakPolarHBondContact CZ-CD2 3.38Å; F164-H173 AromaticContact CZ-CG 3.22Å; F164-H173 AromaticContact CZ-ND1 3.79Å; F164-H173 AromaticContact CZ-NE2 3.81Å; H169-H173 WeakPolarHBondContact O-CB 3.43Å; H169-H173 PolarHBondContact O-N 3Å; H169-H173 VanDerWaalsContact O-N 3.08Å; L170-H173 CarbonylContact O-C 3.56Å; L170-H173 WeakPolarHBondContact O-CA 3.38Å; L170-H173 WeakPolarHBondContact O-CB 3.21Å; L170-H173 PolarHBondContact O-N 3.03Å; K171-H173 VanDerWaalsContact C-N 3.31Å; K171-H173 PolarHBondContact O-N 3.09Å; H173-L175 PolarHBondContact O-N 3.39Å; H173-T176 PolarHBondContact ND1-OG1 2.98Å; H173-T176 WeakPolarHBondContact O-CA 3.37Å; H173-T176 VanDerWaalsContact O-CB 3.3Å; H173-T176 WeakPolarHBondContact O-CB 3.07Å; H173-T176 PolarHBondContact O-N 2.85Å; H173-T176 PolarHBondContact O-OG1 3.39Å; H173-H177 AromaticContact CE1-CD2 3.96Å; H173-H177 AromaticContact CE1-NE2 3.37Å; H173-H177 PolarHBondContact CE1-NE2 3.39Å; H173-H177 AromaticContact NE2-CD2 3.73Å; H173-H177 AromaticContact NE2-NE2 3.21Å; H173-H177 PolarHBondContact NE2-NE2 3.42Å |
| 174 | I | 92.9 | Very high | 91.2 | Very high | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.2 | -32 | 175.7 | -68 | 165.6 | 0 | 0 | 0 | 111.5 | L170 K171 T176 H177 T178 | L170-I174 HydrophobicContact CD1-CD1 3.97Å; L170-I174 HydrophobicContact CD1-CG1 4.02Å; L170-I174 HydrophobicContact CG-CD1 3.92Å; L170-I174 HydrophobicContact CG-CG1 4.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.28Å; L170-I174 PolarHBondContact O-N 3.1Å; K171-I174 PolarHBondContact O-N 2.89Å; I174-T176 PolarHBondContact O-N 2.9Å; I174-T176 VanDerWaalsContact O-N 3.1Å; I174-H177 WeakPolarHBondContact O-CA 3.3Å; I174-H177 WeakPolarHBondContact O-CB 3.35Å; I174-H177 PolarHBondContact O-N 3.48Å; I174-T178 HydrophobicContact CG2-CG2 4.22Å; I174-T178 PolarHBondContact O-N 3.08Å |
| 175 | L | 92.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 71 Ų | 71 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -21.1 | 171.7 | -56.6 | 176.1 | 0 | 0 | 0 | 113.7 | K171 R172 H173 G179 E180 P182 I193 | K171-L175 PolarHBondContact O-N 2.89Å; R172-L175 WeakPolarHBondContact O-CB 3.35Å; H173-L175 PolarHBondContact O-N 3.39Å; L175-G179 WeakPolarHBondContact O-CA 3.49Å; L175-G179 PolarHBondContact O-N 2.79Å; L175-G179 VanDerWaalsContact O-N 3.08Å; L175-E180 HydrophobicContact CD2-CB 3.9Å; L175-E180 PolarHBondContact O-N 2.9Å; L175-P182 HydrophobicContact CD1-CG 4.32Å; L175-I193 HydrophobicContact CB-CD1 4.41Å; L175-I193 HydrophobicContact CB-CG1 4.44Å; L175-I193 HydrophobicContact CB-CG2 3.9Å; L175-I193 HydrophobicContact CD1-CG2 3.89Å |
| 176 | T | 92.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 67 Ų | 67 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -76.7 | -21.8 | 172.6 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | H173 I174 I193 | H173-T176 PolarHBondContact ND1-OG1 2.98Å; H173-T176 WeakPolarHBondContact O-CA 3.37Å; H173-T176 VanDerWaalsContact O-CB 3.3Å; H173-T176 WeakPolarHBondContact O-CB 3.07Å; H173-T176 PolarHBondContact O-N 2.85Å; H173-T176 PolarHBondContact O-OG1 3.39Å; I174-T176 PolarHBondContact O-N 2.9Å; I174-T176 VanDerWaalsContact O-N 3.1Å; T176-I193 HydrophobicContact CG2-CD1 3.72Å |
| 177 | H | 91.9 | Very high | 91.3 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 36% | 0.356 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -88.1 | -43.2 | 173.8 | -67.2 | -64.6 | 0 | 0 | 0 | 111.9 | H173 I174 G179 | H173-H177 AromaticContact CE1-CD2 3.96Å; H173-H177 AromaticContact CE1-NE2 3.37Å; H173-H177 PolarHBondContact CE1-NE2 3.39Å; H173-H177 AromaticContact NE2-CD2 3.73Å; H173-H177 AromaticContact NE2-NE2 3.21Å; H173-H177 PolarHBondContact NE2-NE2 3.42Å; I174-H177 WeakPolarHBondContact O-CA 3.3Å; I174-H177 WeakPolarHBondContact O-CB 3.35Å; I174-H177 PolarHBondContact O-N 3.48Å; H177-G179 VanDerWaalsContact C-N 3.26Å; H177-G179 PolarHBondContact O-N 3.21Å |
| 178 | T | 90.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.4 | -19.8 | 177.1 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | I174 E180 | I174-T178 HydrophobicContact CG2-CG2 4.22Å; I174-T178 PolarHBondContact O-N 3.08Å; T178-E180 PolarHBondContact O-N 2.79Å; T178-E180 WeakPolarHBondContact OG1-CB 3.43Å; T178-E180 WeakPolarHBondContact OG1-CG 3.31Å; T178-E180 PolarHBondContact OG1-N 3.19Å |
| 179 | G | 89.6 | Confident | 91.3 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | trans | 74.8 | 1.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L175 H177 K181 | L175-G179 WeakPolarHBondContact O-CA 3.49Å; L175-G179 PolarHBondContact O-N 2.79Å; L175-G179 VanDerWaalsContact O-N 3.08Å; H177-G179 VanDerWaalsContact C-N 3.26Å; H177-G179 PolarHBondContact O-N 3.21Å; G179-K181 PolarHBondContact O-N 2.93Å | ||
| 180 | E | 89.5 | Confident | 91.1 | Very high | 117 Ų | 117 | 69.1 Ų | 69.1 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | trans | -62.3 | 132 | 179.3 | -74.6 | -179.2 | -179.4 | 0 | 0 | 111.7 | L175 T178 | L175-E180 HydrophobicContact CD2-CB 3.9Å; L175-E180 PolarHBondContact O-N 2.9Å; T178-E180 PolarHBondContact O-N 2.79Å; T178-E180 WeakPolarHBondContact OG1-CB 3.43Å; T178-E180 WeakPolarHBondContact OG1-CG 3.31Å; T178-E180 PolarHBondContact OG1-N 3.19Å | ||
| 181 | K | 90.7 | Very high | 91.1 | Very high | 100 Ų | 100 | 74.5 Ų | 74.5 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | trans | -130.2 | 88.9 | -177.3 | -71.9 | 157.3 | 178.9 | 179.2 | 0 | 108.8 | G179 F183 R191 F192 I193 | G179-K181 PolarHBondContact O-N 2.93Å; K181-F183 VanDerWaalsContact C-N 3.27Å; K181-F183 PolarHBondContact O-N 3.21Å; K181-R191 HydrophobicContact CB-CB 3.42Å; K181-R191 VanDerWaalsContact CB-CB 3.42Å; K181-R191 HydrophobicContact CD-CB 4.13Å; K181-R191 WeakPolarHBondContact CD-O 3.26Å; K181-R191 HydrophobicContact CG-CB 4.34Å; K181-R191 PolarHBondContact O-NE 3.47Å; K181-R191 PolarHBondContact O-NH2 2.78Å; K181-F192 CarbonylContact C-O 3.38Å; K181-F192 WeakPolarHBondContact CA-O 3.43Å; K181-I193 HydrophobicContact CG-CG1 4.02Å | ||
| 182 | P | 90.3 | Very high | 91.1 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | trans | -62.9 | -32 | -174 | -25.1 | 35.4 | 0 | 0 | 0 | 113.5 | L175 A184 | L175-P182 HydrophobicContact CD1-CG 4.32Å; P182-A184 PolarHBondContact O-N 3.09Å | ||
| 183 | F | 92.8 | Very high | 91 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 96 | -171.3 | -56.2 | -80 | 0 | 0 | 0 | 111 | K181 R191 F192 I193 R195 L198 | K181-F183 VanDerWaalsContact C-N 3.27Å; K181-F183 PolarHBondContact O-N 3.21Å; F183-R191 CarbonylContact O-C 3.53Å; F183-R191 WeakPolarHBondContact O-CA 3.48Å; F183-F192 HydrophobicContact CB-CB 4.36Å; F183-F192 PolarHBondContact N-O 2.83Å; F183-F192 PolarHBondContact O-N 2.89Å; F183-I193 WeakPolarHBondContact CE2-O 3.47Å; F183-R195 HydrophobicContact CD1-CB 4.02Å; F183-R195 HydrophobicContact CD1-CG 4.37Å; F183-R195 HydrophobicContact CE1-CB 3.87Å; F183-R195 HydrophobicContact CE1-CG 4.38Å; F183-R195 HydrophobicContact CZ-CB 4.23Å; F183-L198 HydrophobicContact CB-CB 4.24Å; F183-L198 HydrophobicContact CB-CD2 3.99Å |
| 184 | A | 92 | Very high | 90.9 | Very high | 51 Ų | 51 | 68 Ų | 68 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P182 R191 L198 | P182-A184 PolarHBondContact O-N 3.09Å; A184-R191 HydrophobicContact CB-CG 4.04Å; A184-L198 WeakPolarHBondContact O-CD2 3.49Å |
| 185 | C | 91.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | trans | -78.8 | 148.1 | 164.3 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | V187 C188 M190 L198 H205 | C185-V187 PolarHBondContact SG-N 3.06Å; C185-V187 VanDerWaalsContact SG-N 3.42Å; C185-C188 CarbonylContact C-O 3.58Å; C185-C188 WeakPolarHBondContact CB-O 3.3Å; C185-C188 VanDerWaalsContact CB-SG 3.57Å; C185-C188 VanDerWaalsContact O-O 3.12Å; C185-M190 WeakPolarHBondContact CB-O 3.46Å; C185-M190 PolarHBondContact N-O 3.05Å; C185-L198 HydrophobicContact CB-CD1 3.76Å; C185-H205 PolarHBondContact SG-NE2 2.89Å | ||
| 186 | D | 92.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 77.7 Ų | 77.7 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -87 | -15.4 | 177.5 | 44.3 | -17.5 | 0 | 0 | 0 | 113.3 | K202 | D186-K202 WeakPolarHBondContact OD1-CE 3.18Å; D186-K202 IonicContact OD1-NZ 3.28Å; D186-K202 PolarHBondContact OD1-NZ 3.28Å; D186-K202 IonicContact OD2-NZ 3.52Å; D186-K202 PolarHBondContact OD2-NZ 3.21Å |
| 187 | V | 89.9 | Confident | 90.6 | Very high | 92 Ų | 92 | 76 Ų | 76 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -106.3 | -14.1 | -178.5 | -172.7 | 0 | 0 | 0 | 0 | 112 | C185 H205 | C185-V187 PolarHBondContact SG-N 3.06Å; C185-V187 VanDerWaalsContact SG-N 3.42Å; V187-H205 HydrophobicContact CG1-CB 4.27Å; V187-H205 HydrophobicContact CG2-CB 4.47Å |
| 188 | C | 90.3 | Very high | 90.6 | Very high | 23 Ų | 23 | 73.1 Ų | 73.1 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -161.9 | 166.3 | -176.6 | 66.8 | 0 | 0 | 0 | 0 | 112 | C185 M190 H201 H205 C249 | C185-C188 CarbonylContact C-O 3.58Å; C185-C188 WeakPolarHBondContact CB-O 3.3Å; C185-C188 VanDerWaalsContact CB-SG 3.57Å; C185-C188 VanDerWaalsContact O-O 3.12Å; C188-M190 PolarHBondContact O-N 2.96Å; C188-H201 PolarHBondContact SG-NE2 3.43Å; C188-H205 PolarHBondContact SG-NE2 3.07Å; C188-C249 WeakPolarHBondContact CB-SG 3.3Å; C188-C249 PolarHBondContact SG-SG 3.14Å |
| 189 | D | 89.4 | Confident | 90.6 | Very high | 137 Ų | 137 | 73.2 Ų | 73.2 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -72.6 | 7.8 | -178.3 | -54.4 | -53.7 | 0 | 0 | 0 | 115 | R191 | D189-R191 PolarHBondContact O-N 3.33Š|
| 190 | M | 88.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 75.4 Ų | 75.4 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | trans | -72 | 124.8 | 179.5 | -70.3 | -62.9 | -66.1 | 0 | 0 | 111.5 | C185 C188 F192 | C185-M190 WeakPolarHBondContact CB-O 3.46Å; C185-M190 PolarHBondContact N-O 3.05Å; C188-M190 PolarHBondContact O-N 2.96Å; M190-F192 HydrophobicContact CB-CE2 3.9Å; M190-F192 HydrophobicContact CB-CZ 3.93Å; M190-F192 HydrophobicContact CE-CZ 4.39Å | ||
| 191 | R | 91.9 | Very high | 90.7 | Very high | 137 Ų | 137 | 71 Ų | 71 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.5 | 178.6 | -53.5 | 178.6 | 64 | 154 | 2 | 111.4 | K181 F183 A184 D189 | K181-R191 HydrophobicContact CB-CB 3.42Å; K181-R191 VanDerWaalsContact CB-CB 3.42Å; K181-R191 HydrophobicContact CD-CB 4.13Å; K181-R191 WeakPolarHBondContact CD-O 3.26Å; K181-R191 HydrophobicContact CG-CB 4.34Å; K181-R191 PolarHBondContact O-NE 3.47Å; K181-R191 PolarHBondContact O-NH2 2.78Å; F183-R191 CarbonylContact O-C 3.53Å; F183-R191 WeakPolarHBondContact O-CA 3.48Å; A184-R191 HydrophobicContact CB-CG 4.04Å; D189-R191 PolarHBondContact O-N 3.33Å |
| 192 | F | 90.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 153 | -174.1 | -57.1 | -85.6 | 0 | 0 | 0 | 112.1 | K181 F183 M190 H197 L198 H201 | K181-F192 CarbonylContact C-O 3.38Å; K181-F192 WeakPolarHBondContact CA-O 3.43Å; F183-F192 HydrophobicContact CB-CB 4.36Å; F183-F192 PolarHBondContact N-O 2.83Å; F183-F192 PolarHBondContact O-N 2.89Å; M190-F192 HydrophobicContact CB-CE2 3.9Å; M190-F192 HydrophobicContact CB-CZ 3.93Å; M190-F192 HydrophobicContact CE-CZ 4.39Å; F192-H197 HydrophobicContact CB-CB 4.06Å; F192-H197 HydrophobicContact CD1-CB 3.78Å; F192-H197 HydrophobicContact CG-CB 4.11Å; F192-L198 HydrophobicContact CB-CB 4.45Å; F192-L198 HydrophobicContact CD2-CB 3.81Å; F192-L198 HydrophobicContact CD2-CD1 4.03Å; F192-L198 HydrophobicContact CE2-CD1 4.11Å; F192-L198 HydrophobicContact CG-CB 4.32Å; F192-H201 HydrophobicContact CE1-CB 4.14Å; F192-H201 HydrophobicContact CE2-CB 3.88Å; F192-H201 AromaticContact CE2-CD2 3.46Å; F192-H201 VanDerWaalsContact CE2-CD2 3.46Å; F192-H201 WeakPolarHBondContact CE2-CD2 3.29Å; F192-H201 AromaticContact CE2-CG 3.71Å; F192-H201 HydrophobicContact CZ-CB 3.49Å; F192-H201 VanDerWaalsContact CZ-CB 3.49Å; F192-H201 AromaticContact CZ-CD2 3.55Å; F192-H201 AromaticContact CZ-CG 3.34Å; F192-H201 AromaticContact CZ-ND1 3.89Å |
| 193 | I | 90.4 | Very high | 90.7 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -78.6 | -21.6 | 175.8 | -64.5 | 177.7 | 0 | 0 | 0 | 111.7 | R172 L175 T176 K181 F183 | R172-I193 HydrophobicContact CG-CG2 4.05Å; L175-I193 HydrophobicContact CB-CD1 4.41Å; L175-I193 HydrophobicContact CB-CG1 4.44Å; L175-I193 HydrophobicContact CB-CG2 3.9Å; L175-I193 HydrophobicContact CD1-CG2 3.89Å; T176-I193 HydrophobicContact CG2-CD1 3.72Å; K181-I193 HydrophobicContact CG-CG1 4.02Å; F183-I193 WeakPolarHBondContact CE2-O 3.47Å |
| 194 | Q | 91.1 | Very high | 90.4 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -137.9 | 142.5 | -176 | -43.5 | -172.5 | 70.2 | 0 | 0 | 111.9 | R172 Y196 H197 L198 | R172-Q194 VanDerWaalsContact CD-OE1 3.23Å; R172-Q194 HydrophobicContact CG-CG 4.38Å; Q194-Y196 HydrophobicContact CB-CD1 4.05Å; Q194-Y196 HydrophobicContact CB-CE1 3.98Å; Q194-Y196 VanDerWaalsContact CD-CE1 3.44Å; Q194-Y196 HydrophobicContact CG-CE1 4.33Å; Q194-Y196 PolarHBondContact NE2-OH 3.4Å; Q194-Y196 PolarHBondContact O-N 2.95Å; Q194-Y196 VanDerWaalsContact OE1-CE1 3.22Å; Q194-H197 PolarHBondContact NE2-NE2 3.07Å; Q194-H197 VanDerWaalsContact NE2-NE2 3.18Å; Q194-H197 WeakPolarHBondContact O-CB 3.39Å; Q194-H197 PolarHBondContact O-N 3.1Å; Q194-L198 PolarHBondContact O-N 3.45Å |
| 195 | R | 90.7 | Very high | 90.2 | Very high | 169 Ų | 169 | 70.3 Ų | 70.3 | 64% | 0.638 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.2 | -47.1 | -179.7 | -167.4 | 173.3 | 179.1 | 152.6 | 0.4 | 113.5 | F183 H197 L198 D199 | F183-R195 HydrophobicContact CD1-CB 4.02Å; F183-R195 HydrophobicContact CD1-CG 4.37Å; F183-R195 HydrophobicContact CE1-CB 3.87Å; F183-R195 HydrophobicContact CE1-CG 4.38Å; F183-R195 HydrophobicContact CZ-CB 4.23Å; R195-H197 PolarHBondContact O-N 3.3Å; R195-H197 VanDerWaalsContact O-N 3.1Å; R195-L198 CarbonylContact O-C 3.59Å; R195-L198 WeakPolarHBondContact O-CA 3.49Å; R195-L198 WeakPolarHBondContact O-CB 3.45Å; R195-L198 PolarHBondContact O-N 3.03Å; R195-D199 PolarHBondContact O-N 2.73Å |
| 196 | Y | 89.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 72.8 Ų | 72.8 | 49% | 0.486 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -24.9 | 179.3 | 78.8 | -103.9 | 0 | 0 | 0 | 113.8 | Q194 R200 | Q194-Y196 HydrophobicContact CB-CD1 4.05Å; Q194-Y196 HydrophobicContact CB-CE1 3.98Å; Q194-Y196 VanDerWaalsContact CD-CE1 3.44Å; Q194-Y196 HydrophobicContact CG-CE1 4.33Å; Q194-Y196 PolarHBondContact NE2-OH 3.4Å; Q194-Y196 PolarHBondContact O-N 2.95Å; Q194-Y196 VanDerWaalsContact OE1-CE1 3.22Å; Y196-R200 WeakPolarHBondContact O-CB 3.47Å; Y196-R200 PolarHBondContact O-N 3.14Å |
| 197 | H | 91.1 | Very high | 89.8 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 174 | -73.7 | -62.1 | 0 | 0 | 0 | 111.1 | F192 Q194 R195 R200 H201 | F192-H197 HydrophobicContact CB-CB 4.06Å; F192-H197 HydrophobicContact CD1-CB 3.78Å; F192-H197 HydrophobicContact CG-CB 4.11Å; Q194-H197 PolarHBondContact NE2-NE2 3.07Å; Q194-H197 VanDerWaalsContact NE2-NE2 3.18Å; Q194-H197 WeakPolarHBondContact O-CB 3.39Å; Q194-H197 PolarHBondContact O-N 3.1Å; R195-H197 PolarHBondContact O-N 3.3Å; R195-H197 VanDerWaalsContact O-N 3.1Å; H197-R200 PolarHBondContact ND1-NH2 2.83Å; H197-R200 VanDerWaalsContact ND1-NH2 3.12Å; H197-H201 VanDerWaalsContact O-CB 3.28Å; H197-H201 WeakPolarHBondContact O-CB 3.33Å; H197-H201 PolarHBondContact O-N 3.23Å |
| 198 | L | 91.9 | Very high | 89.8 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 171.7 | 169.7 | 61.2 | 0 | 0 | 0 | 110.8 | F183 A184 C185 F192 Q194 R195 R200 H201 K202 | F183-L198 HydrophobicContact CB-CB 4.24Å; F183-L198 HydrophobicContact CB-CD2 3.99Å; A184-L198 WeakPolarHBondContact O-CD2 3.49Å; C185-L198 HydrophobicContact CB-CD1 3.76Å; F192-L198 HydrophobicContact CB-CB 4.45Å; F192-L198 HydrophobicContact CD2-CB 3.81Å; F192-L198 HydrophobicContact CD2-CD1 4.03Å; F192-L198 HydrophobicContact CE2-CD1 4.11Å; F192-L198 HydrophobicContact CG-CB 4.32Å; Q194-L198 PolarHBondContact O-N 3.45Å; R195-L198 CarbonylContact O-C 3.59Å; R195-L198 WeakPolarHBondContact O-CA 3.49Å; R195-L198 WeakPolarHBondContact O-CB 3.45Å; R195-L198 PolarHBondContact O-N 3.03Å; L198-R200 VanDerWaalsContact C-N 3.28Å; L198-R200 PolarHBondContact O-N 3.12Å; L198-H201 CarbonylContact O-C 3.6Å; L198-H201 WeakPolarHBondContact O-CA 3.45Å; L198-H201 WeakPolarHBondContact O-CB 3.42Å; L198-H201 PolarHBondContact O-N 3.34Å; L198-K202 HydrophobicContact CD1-CG 4.22Å; L198-K202 PolarHBondContact O-N 3.43Å |
| 199 | D | 90.6 | Very high | 89.7 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | -178.7 | -56.4 | -35.4 | 0 | 0 | 0 | 111.6 | R195 H201 K202 | R195-D199 PolarHBondContact O-N 2.73Å; D199-H201 VanDerWaalsContact C-N 3.33Å; D199-K202 PolarHBondContact O-N 3.21Å |
| 200 | R | 89.7 | Confident | 89.7 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.2 | -34 | 172.4 | -175 | -174.7 | 68.9 | -176.9 | 2.1 | 112.6 | Y196 H197 L198 R222 | Y196-R200 WeakPolarHBondContact O-CB 3.47Å; Y196-R200 PolarHBondContact O-N 3.14Å; H197-R200 PolarHBondContact ND1-NH2 2.83Å; H197-R200 VanDerWaalsContact ND1-NH2 3.12Å; L198-R200 VanDerWaalsContact C-N 3.28Å; L198-R200 PolarHBondContact O-N 3.12Å; R200-R222 HydrophobicContact CG-CG 4.28Å |
| 201 | H | 90.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 175.8 | 167.9 | 69.1 | 0 | 0 | 0 | 111.9 | C188 F192 H197 L198 D199 R203 V204 H205 | C188-H201 PolarHBondContact SG-NE2 3.43Å; F192-H201 HydrophobicContact CE1-CB 4.14Å; F192-H201 HydrophobicContact CE2-CB 3.88Å; F192-H201 AromaticContact CE2-CD2 3.46Å; F192-H201 VanDerWaalsContact CE2-CD2 3.46Å; F192-H201 WeakPolarHBondContact CE2-CD2 3.29Å; F192-H201 AromaticContact CE2-CG 3.71Å; F192-H201 HydrophobicContact CZ-CB 3.49Å; F192-H201 VanDerWaalsContact CZ-CB 3.49Å; F192-H201 AromaticContact CZ-CD2 3.55Å; F192-H201 AromaticContact CZ-CG 3.34Å; F192-H201 AromaticContact CZ-ND1 3.89Å; H197-H201 VanDerWaalsContact O-CB 3.28Å; H197-H201 WeakPolarHBondContact O-CB 3.33Å; H197-H201 PolarHBondContact O-N 3.23Å; L198-H201 CarbonylContact O-C 3.6Å; L198-H201 WeakPolarHBondContact O-CA 3.45Å; L198-H201 WeakPolarHBondContact O-CB 3.42Å; L198-H201 PolarHBondContact O-N 3.34Å; D199-H201 VanDerWaalsContact C-N 3.33Å; H201-R203 PolarHBondContact O-N 2.84Å; H201-R203 VanDerWaalsContact O-N 3.1Å; H201-V204 WeakPolarHBondContact O-CB 3.32Å; H201-V204 WeakPolarHBondContact O-CG2 3.19Å; H201-V204 PolarHBondContact O-N 2.79Å; H201-H205 AromaticContact CD2-NE2 3.41Å; H201-H205 PolarHBondContact CD2-NE2 3.46Å; H201-H205 AromaticContact CE1-NE2 3.14Å; H201-H205 PolarHBondContact CE1-NE2 3.44Å; H201-H205 AromaticContact NE2-NE2 2.49Å; H201-H205 PolarHBondContact NE2-NE2 3.35Å |
| 202 | K | 90.5 | Very high | 89.8 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 32% | 0.317 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.7 | -28.2 | 175.6 | -67.1 | -162.5 | -178.6 | -154.8 | 0 | 113.6 | D186 L198 D199 V204 H205 S206 | D186-K202 WeakPolarHBondContact OD1-CE 3.18Å; D186-K202 IonicContact OD1-NZ 3.28Å; D186-K202 PolarHBondContact OD1-NZ 3.28Å; D186-K202 IonicContact OD2-NZ 3.52Å; D186-K202 PolarHBondContact OD2-NZ 3.21Å; L198-K202 HydrophobicContact CD1-CG 4.22Å; L198-K202 PolarHBondContact O-N 3.43Å; D199-K202 PolarHBondContact O-N 3.21Å; K202-V204 PolarHBondContact O-N 3.23Å; K202-H205 WeakPolarHBondContact O-CB 3.33Å; K202-H205 PolarHBondContact O-N 2.9Å; K202-S206 PolarHBondContact O-N 3.45Å |
| 203 | R | 90.3 | Very high | 89.7 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -16 | 172.4 | -57.3 | -177.3 | -169.7 | 156 | 3.2 | 114.6 | H201 G207 E208 Y211 S221 | H201-R203 PolarHBondContact O-N 2.84Å; H201-R203 VanDerWaalsContact O-N 3.1Å; R203-G207 WeakPolarHBondContact O-CA 3.46Å; R203-G207 PolarHBondContact O-N 3.36Å; R203-E208 HydrophobicContact CB-CB 4.32Å; R203-E208 HydrophobicContact CG-CB 4.22Å; R203-E208 PolarHBondContact O-N 3.48Å; R203-Y211 PolarHBondContact NH1-OH 3.04Å; R203-S221 PolarHBondContact NH1-O 3.47Å |
| 204 | V | 87.6 | Confident | 89.6 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 168.6 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | H201 K202 F247 | H201-V204 WeakPolarHBondContact O-CB 3.32Å; H201-V204 WeakPolarHBondContact O-CG2 3.19Å; H201-V204 PolarHBondContact O-N 2.79Å; K202-V204 PolarHBondContact O-N 3.23Å; V204-F247 HydrophobicContact CB-CB 4.25Å; V204-F247 HydrophobicContact CG1-CB 3.59Å; V204-F247 VanDerWaalsContact CG1-O 3.28Å; V204-F247 WeakPolarHBondContact CG1-O 3.4Å; V204-F247 HydrophobicContact CG2-CB 3.6Å; V204-F247 HydrophobicContact CG2-CD2 4.02Å; V204-F247 HydrophobicContact CG2-CG 3.87Å |
| 205 | H | 87.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.9 | -40 | -179.1 | -57.7 | -59.8 | 0 | 0 | 0 | 112.1 | C185 V187 C188 H201 K202 C249 | C185-H205 PolarHBondContact SG-NE2 2.89Å; V187-H205 HydrophobicContact CG1-CB 4.27Å; V187-H205 HydrophobicContact CG2-CB 4.47Å; C188-H205 PolarHBondContact SG-NE2 3.07Å; H201-H205 AromaticContact CD2-NE2 3.41Å; H201-H205 PolarHBondContact CD2-NE2 3.46Å; H201-H205 AromaticContact CE1-NE2 3.14Å; H201-H205 PolarHBondContact CE1-NE2 3.44Å; H201-H205 AromaticContact NE2-NE2 2.49Å; H201-H205 PolarHBondContact NE2-NE2 3.35Å; K202-H205 WeakPolarHBondContact O-CB 3.33Å; K202-H205 PolarHBondContact O-N 2.9Å; H205-C249 WeakPolarHBondContact CE1-CB 3.29Å; H205-C249 PolarHBondContact CE1-SG 2.81Å |
| 206 | S | 88.3 | Confident | 89.2 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.3 | -13.3 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 114.5 | K202 E208 | K202-S206 PolarHBondContact O-N 3.45Å; S206-E208 WeakPolarHBondContact CB-OE1 3.47Å; S206-E208 PolarHBondContact O-N 3.07Å; S206-E208 VanDerWaalsContact OG-CD 3.24Å; S206-E208 WeakPolarHBondContact OG-CG 3.28Å; S206-E208 PolarHBondContact OG-OE1 3.45Å |
| 207 | G | 86.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 46% | 0.464 | 37% | 0.366 | S | S | . | . | trans | 69.6 | 6.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R203 K209 | R203-G207 WeakPolarHBondContact O-CA 3.46Å; R203-G207 PolarHBondContact O-N 3.36Å; G207-K209 PolarHBondContact O-N 3.3Å | ||
| 208 | E | 89.4 | Confident | 88.7 | Confident | 106 Ų | 106 | 74 Ų | 74 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | -59.1 | 126.7 | -175.9 | -83.9 | 167.4 | -131.1 | 0 | 0 | 113.6 | R203 S206 P210 S221 | R203-E208 HydrophobicContact CB-CB 4.32Å; R203-E208 HydrophobicContact CG-CB 4.22Å; R203-E208 PolarHBondContact O-N 3.48Å; S206-E208 WeakPolarHBondContact CB-OE1 3.47Å; S206-E208 PolarHBondContact O-N 3.07Å; S206-E208 VanDerWaalsContact OG-CD 3.24Å; S206-E208 WeakPolarHBondContact OG-CG 3.28Å; S206-E208 PolarHBondContact OG-OE1 3.45Å; E208-P210 VanDerWaalsContact C-CD 3.48Å; E208-P210 WeakPolarHBondContact O-CD 3.34Å; E208-S221 WeakPolarHBondContact O-CA 3.44Å; E208-S221 VanDerWaalsContact O-CB 3.3Å; E208-S221 WeakPolarHBondContact O-CB 3.38Å | ||
| 209 | K | 88.7 | Confident | 88.6 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | trans | -123.6 | 68.4 | 178.1 | -67.4 | 173.1 | -172.2 | 178.7 | 0 | 111 | G207 Y211 S219 F220 N244 | G207-K209 PolarHBondContact O-N 3.3Å; K209-Y211 PolarHBondContact O-N 3.39Å; K209-S219 WeakPolarHBondContact O-CB 3.4Å; K209-F220 CarbonylContact C-O 3.49Å; K209-F220 VanDerWaalsContact CA-O 3.31Å; K209-F220 WeakPolarHBondContact CA-O 3.46Å; K209-N244 PolarHBondContact NZ-OD1 2.79Å | ||
| 210 | P | 89.1 | Confident | 88.4 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | trans | -73.4 | -6.5 | -171 | 30.4 | -36.9 | 0 | 0 | 0 | 115 | E208 | E208-P210 VanDerWaalsContact C-CD 3.48Å; E208-P210 WeakPolarHBondContact O-CD 3.34Å | ||
| 211 | Y | 91.1 | Very high | 88.3 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 28% | 0.275 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.3 | -177.8 | -51.2 | -73 | 0 | 0 | 0 | 110.7 | R203 K209 S219 F220 T223 | R203-Y211 PolarHBondContact NH1-OH 3.04Å; K209-Y211 PolarHBondContact O-N 3.39Å; Y211-S219 CarbonylContact O-C 3.2Å; Y211-F220 WeakPolarHBondContact CD2-O 3.47Å; Y211-F220 PolarHBondContact N-O 3.45Å; Y211-F220 VanDerWaalsContact N-O 3.08Å; Y211-F220 PolarHBondContact O-N 2.98Å; Y211-T223 WeakPolarHBondContact CE1-OG1 3.36Å |
| 212 | Q | 90.8 | Very high | 88.2 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 153 | 178.6 | -164.3 | 166.8 | 27.9 | 0 | 0 | 112.1 | N217 Q218 L226 | Q212-N217 WeakPolarHBondContact CG-O 3.46Å; Q212-N217 PolarHBondContact NE2-O 3.44Å; Q212-Q218 CarbonylContact C-O 3.59Å; Q212-L226 WeakPolarHBondContact O-CD1 3.43Å; Q212-L226 VanDerWaalsContact O-CD2 3.28Å; Q212-L226 WeakPolarHBondContact O-CD2 3.39Å |
| 213 | C | 88.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | trans | -98.9 | 115.6 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | R215 C216 N217 Q218 F220 L226 | C213-R215 PolarHBondContact O-N 3.08Å; C213-C216 PolarHBondContact O-N 3.05Å; C213-N217 VanDerWaalsContact O-CA 3.28Å; C213-N217 WeakPolarHBondContact O-CA 3.46Å; C213-N217 PolarHBondContact O-N 2.87Å; C213-Q218 PolarHBondContact N-O 3.1Å; C213-F220 HydrophobicContact CB-CE2 4.43Å; C213-L226 HydrophobicContact CB-CD1 3.5Å | ||
| 214 | D | 88.3 | Confident | 88.1 | Confident | 131 Ų | 131 | 70.9 Ų | 70.9 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -15.7 | -177.6 | -29.1 | -55.3 | 0 | 0 | 0 | 115.1 | ||
| 215 | R | 86.4 | Confident | 88.2 | Confident | 179 Ų | 179 | 70.8 Ų | 70.8 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -26.6 | -177.7 | -66.6 | -171.9 | 178.3 | -165.7 | -2.1 | 114.7 | C213 | C213-R215 PolarHBondContact O-N 3.08Š|
| 216 | C | 86.4 | Confident | 88.3 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 1.7 | -172.9 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | C213 Q218 H229 | C213-C216 PolarHBondContact O-N 3.05Å; C216-Q218 PolarHBondContact O-N 2.85Å; C216-Q218 VanDerWaalsContact SG-CB 3.56Å; C216-H229 PolarHBondContact SG-NE2 3.39Å |
| 217 | N | 85 | Confident | 88.4 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | trans | 56.8 | 11.2 | -177.6 | -63.7 | -28.5 | 0 | 0 | 0 | 116 | Q212 C213 S219 | Q212-N217 WeakPolarHBondContact CG-O 3.46Å; Q212-N217 PolarHBondContact NE2-O 3.44Å; C213-N217 VanDerWaalsContact O-CA 3.28Å; C213-N217 WeakPolarHBondContact O-CA 3.46Å; C213-N217 PolarHBondContact O-N 2.87Å; N217-S219 PolarHBondContact O-N 3.18Å | ||
| 218 | Q | 85.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | trans | -67.8 | 129.5 | 174.8 | -170.6 | 69.4 | 6.4 | 0 | 0 | 110.7 | Q212 C213 C216 F220 | Q212-Q218 CarbonylContact C-O 3.59Å; C213-Q218 PolarHBondContact N-O 3.1Å; C216-Q218 PolarHBondContact O-N 2.85Å; C216-Q218 VanDerWaalsContact SG-CB 3.56Å; Q218-F220 HydrophobicContact CB-CE2 4.01Å; Q218-F220 HydrophobicContact CB-CZ 4.11Å; Q218-F220 HydrophobicContact CG-CE1 4.26Å; Q218-F220 HydrophobicContact CG-CE2 3.84Å; Q218-F220 HydrophobicContact CG-CZ 3.54Å; Q218-F220 VanDerWaalsContact O-CE2 3.3Å; Q218-F220 WeakPolarHBondContact O-CE2 3.48Å | ||
| 219 | S | 88.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 68 Ų | 68 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 143.1 | -178.3 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | K209 Y211 N217 | K209-S219 WeakPolarHBondContact O-CB 3.4Å; Y211-S219 CarbonylContact O-C 3.2Å; N217-S219 PolarHBondContact O-N 3.18Å |
| 220 | F | 87.5 | Confident | 88.3 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.6 | -175.6 | -59 | -87 | 0 | 0 | 0 | 111.6 | K209 Y211 C213 Q218 R222 R225 L226 H229 | K209-F220 CarbonylContact C-O 3.49Å; K209-F220 VanDerWaalsContact CA-O 3.31Å; K209-F220 WeakPolarHBondContact CA-O 3.46Å; Y211-F220 WeakPolarHBondContact CD2-O 3.47Å; Y211-F220 PolarHBondContact N-O 3.45Å; Y211-F220 VanDerWaalsContact N-O 3.08Å; Y211-F220 PolarHBondContact O-N 2.98Å; C213-F220 HydrophobicContact CB-CE2 4.43Å; Q218-F220 HydrophobicContact CB-CE2 4.01Å; Q218-F220 HydrophobicContact CB-CZ 4.11Å; Q218-F220 HydrophobicContact CG-CE1 4.26Å; Q218-F220 HydrophobicContact CG-CE2 3.84Å; Q218-F220 HydrophobicContact CG-CZ 3.54Å; Q218-F220 VanDerWaalsContact O-CE2 3.3Å; Q218-F220 WeakPolarHBondContact O-CE2 3.48Å; F220-R222 PolarHBondContact O-N 3.21Å; F220-R225 HydrophobicContact CB-CB 4.33Å; F220-R225 HydrophobicContact CD1-CB 3.92Å; F220-R225 HydrophobicContact CG-CB 4.35Å; F220-L226 HydrophobicContact CB-CB 4.4Å; F220-L226 HydrophobicContact CD2-CB 3.91Å; F220-L226 HydrophobicContact CD2-CD1 3.91Å; F220-L226 HydrophobicContact CE2-CD1 4.06Å; F220-L226 HydrophobicContact CG-CB 4.31Å; F220-H229 HydrophobicContact CE1-CB 4.17Å; F220-H229 HydrophobicContact CE2-CB 4.05Å; F220-H229 AromaticContact CE2-CD2 3.75Å; F220-H229 AromaticContact CE2-CG 3.75Å; F220-H229 HydrophobicContact CZ-CB 3.61Å; F220-H229 AromaticContact CZ-CD2 3.8Å; F220-H229 AromaticContact CZ-CE1 3.93Å; F220-H229 AromaticContact CZ-CG 3.34Å; F220-H229 AromaticContact CZ-ND1 3.46Å; F220-H229 WeakPolarHBondContact CZ-ND1 3.46Å |
| 221 | S | 87.5 | Confident | 88.2 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -76.9 | -9.7 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | R203 E208 | R203-S221 PolarHBondContact NH1-O 3.47Å; E208-S221 WeakPolarHBondContact O-CA 3.44Å; E208-S221 VanDerWaalsContact O-CB 3.3Å; E208-S221 WeakPolarHBondContact O-CB 3.38Å |
| 222 | R | 88.7 | Confident | 87.7 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -142.7 | 137.8 | -173.2 | -64.3 | 169 | 53.5 | 160 | -6 | 113.2 | R200 F220 D224 R225 L226 | R200-R222 HydrophobicContact CG-CG 4.28Å; F220-R222 PolarHBondContact O-N 3.21Å; R222-D224 VanDerWaalsContact CB-OD1 3.32Å; R222-D224 WeakPolarHBondContact CB-OD1 3.3Å; R222-D224 IonicContact CZ-OD1 3.01Å; R222-D224 IonicContact CZ-OD2 3.41Å; R222-D224 IonicContact NE-OD1 2.91Å; R222-D224 PolarHBondContact NE-OD1 3.22Å; R222-D224 IonicContact NE-OD2 2.83Å; R222-D224 VanDerWaalsContact NH2-CG 3.27Å; R222-D224 IonicContact NH2-OD1 2.65Å; R222-D224 PolarHBondContact NH2-OD1 2.89Å; R222-D224 VanDerWaalsContact NH2-OD1 3.14Å; R222-D224 IonicContact NH2-OD2 3.14Å; R222-D224 PolarHBondContact NH2-OD2 3.21Å; R222-D224 PolarHBondContact O-N 2.96Å; R222-R225 HydrophobicContact CB-CB 4.32Å; R222-R225 HydrophobicContact CB-CG 3.98Å; R222-R225 WeakPolarHBondContact O-CB 3.42Å; R222-R225 PolarHBondContact O-N 3.37Å; R222-L226 PolarHBondContact O-N 3.41Å |
| 223 | T | 90.3 | Very high | 87.2 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 178 | -39.3 | 0 | 0 | 0 | 0 | 113.2 | Y211 R225 L226 L227 | Y211-T223 WeakPolarHBondContact CE1-OG1 3.36Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.4Å; T223-L226 PolarHBondContact O-N 3.23Å; T223-L227 HydrophobicContact CG2-CD1 4.22Å; T223-L227 HydrophobicContact CG2-CG 4.36Å; T223-L227 WeakPolarHBondContact O-CB 3.34Å; T223-L227 WeakPolarHBondContact O-CG 3.44Å; T223-L227 PolarHBondContact O-N 2.62Å |
| 224 | D | 88.6 | Confident | 86.3 | Confident | 73 Ų | 73 | 74.6 Ų | 74.6 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -32.4 | 178.3 | 65.4 | -72.7 | 0 | 0 | 0 | 112.4 | R222 R228 | R222-D224 VanDerWaalsContact CB-OD1 3.32Å; R222-D224 WeakPolarHBondContact CB-OD1 3.3Å; R222-D224 IonicContact CZ-OD1 3.01Å; R222-D224 IonicContact CZ-OD2 3.41Å; R222-D224 IonicContact NE-OD1 2.91Å; R222-D224 PolarHBondContact NE-OD1 3.22Å; R222-D224 IonicContact NE-OD2 2.83Å; R222-D224 VanDerWaalsContact NH2-CG 3.27Å; R222-D224 IonicContact NH2-OD1 2.65Å; R222-D224 PolarHBondContact NH2-OD1 2.89Å; R222-D224 VanDerWaalsContact NH2-OD1 3.14Å; R222-D224 IonicContact NH2-OD2 3.14Å; R222-D224 PolarHBondContact NH2-OD2 3.21Å; R222-D224 PolarHBondContact O-N 2.96Å; D224-R228 WeakPolarHBondContact O-CB 3.46Å; D224-R228 PolarHBondContact O-N 3.08Å |
| 225 | R | 88.6 | Confident | 85.3 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.4 | -46.2 | 174.9 | -63 | -60.3 | -176 | 112.7 | -2.2 | 111.3 | F220 R222 T223 R228 H229 E242 | F220-R225 HydrophobicContact CB-CB 4.33Å; F220-R225 HydrophobicContact CD1-CB 3.92Å; F220-R225 HydrophobicContact CG-CB 4.35Å; R222-R225 HydrophobicContact CB-CB 4.32Å; R222-R225 HydrophobicContact CB-CG 3.98Å; R222-R225 WeakPolarHBondContact O-CB 3.42Å; R222-R225 PolarHBondContact O-N 3.37Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.4Å; R225-R228 VanDerWaalsContact CD-NH2 3.29Å; R225-R228 VanDerWaalsContact NH1-NH2 3.1Å; R225-R228 PolarHBondContact O-N 3.04Å; R225-H229 VanDerWaalsContact O-CB 3.26Å; R225-H229 WeakPolarHBondContact O-CB 3.07Å; R225-H229 PolarHBondContact O-N 3.47Å; R225-E242 IonicContact NH1-OE1 2.73Å; R225-E242 PolarHBondContact NH1-OE1 3.23Å |
| 226 | L | 89.9 | Confident | 84 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 172 | 172.4 | 61.1 | 0 | 0 | 0 | 111.9 | Q212 C213 F220 R222 T223 R228 H229 R230 | Q212-L226 WeakPolarHBondContact O-CD1 3.43Å; Q212-L226 VanDerWaalsContact O-CD2 3.28Å; Q212-L226 WeakPolarHBondContact O-CD2 3.39Å; C213-L226 HydrophobicContact CB-CD1 3.5Å; F220-L226 HydrophobicContact CB-CB 4.4Å; F220-L226 HydrophobicContact CD2-CB 3.91Å; F220-L226 HydrophobicContact CD2-CD1 3.91Å; F220-L226 HydrophobicContact CE2-CD1 4.06Å; F220-L226 HydrophobicContact CG-CB 4.31Å; R222-L226 PolarHBondContact O-N 3.41Å; T223-L226 PolarHBondContact O-N 3.23Å; L226-R228 PolarHBondContact O-N 2.84Å; L226-H229 WeakPolarHBondContact O-CB 3.48Å; L226-H229 PolarHBondContact O-N 3.47Å; L226-R230 WeakPolarHBondContact O-CB 3.39Å; L226-R230 PolarHBondContact O-N 3.26Å |
| 227 | L | 90.1 | Very high | 82.7 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | -178.6 | -73.4 | 173.6 | 0 | 0 | 0 | 112.1 | T223 R230 R231 | T223-L227 HydrophobicContact CG2-CD1 4.22Å; T223-L227 HydrophobicContact CG2-CG 4.36Å; T223-L227 WeakPolarHBondContact O-CB 3.34Å; T223-L227 WeakPolarHBondContact O-CG 3.44Å; T223-L227 PolarHBondContact O-N 2.62Å; L227-R230 PolarHBondContact O-N 3.12Å; L227-R231 WeakPolarHBondContact O-CG 3.46Å; L227-R231 PolarHBondContact O-N 3.28Å |
| 228 | R | 87.4 | Confident | 81.1 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.8 | -177.3 | -179.1 | 67.3 | 178.9 | 6.5 | 111.3 | D224 R225 L226 R231 E242 | D224-R228 WeakPolarHBondContact O-CB 3.46Å; D224-R228 PolarHBondContact O-N 3.08Å; R225-R228 VanDerWaalsContact CD-NH2 3.29Å; R225-R228 VanDerWaalsContact NH1-NH2 3.1Å; R225-R228 PolarHBondContact O-N 3.04Å; L226-R228 PolarHBondContact O-N 2.84Å; R228-R231 PolarHBondContact O-N 3.25Å; R228-E242 IonicContact NH2-OE1 3.47Å; R228-E242 PolarHBondContact NH2-OE1 3.44Å |
| 229 | H | 87.4 | Confident | 79.7 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 7% | 0.069 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.4 | 169.5 | 91.2 | 0 | 0 | 0 | 111.8 | C216 F220 R225 L226 R231 L232 C233 I239 | C216-H229 PolarHBondContact SG-NE2 3.39Å; F220-H229 HydrophobicContact CE1-CB 4.17Å; F220-H229 HydrophobicContact CE2-CB 4.05Å; F220-H229 AromaticContact CE2-CD2 3.75Å; F220-H229 AromaticContact CE2-CG 3.75Å; F220-H229 HydrophobicContact CZ-CB 3.61Å; F220-H229 AromaticContact CZ-CD2 3.8Å; F220-H229 AromaticContact CZ-CE1 3.93Å; F220-H229 AromaticContact CZ-CG 3.34Å; F220-H229 AromaticContact CZ-ND1 3.46Å; F220-H229 WeakPolarHBondContact CZ-ND1 3.46Å; R225-H229 VanDerWaalsContact O-CB 3.26Å; R225-H229 WeakPolarHBondContact O-CB 3.07Å; R225-H229 PolarHBondContact O-N 3.47Å; L226-H229 WeakPolarHBondContact O-CB 3.48Å; L226-H229 PolarHBondContact O-N 3.47Å; H229-R231 VanDerWaalsContact C-N 3.25Å; H229-R231 PolarHBondContact O-N 3.48Å; H229-L232 CarbonylContact O-C 3.59Å; H229-L232 WeakPolarHBondContact O-CA 3.3Å; H229-L232 PolarHBondContact O-N 3.17Å; H229-C233 WeakPolarHBondContact O-CB 3.32Å; H229-C233 PolarHBondContact O-N 3.18Å; H229-I239 WeakPolarHBondContact CE1-CD1 3.25Å |
| 230 | R | 88.1 | Confident | 78.2 | Confident | 121 Ų | 121 | 74 Ų | 74 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | -178.6 | -170.4 | 169.4 | 72.4 | -178.2 | 3.9 | 113 | L226 L227 L232 | L226-R230 WeakPolarHBondContact O-CB 3.39Å; L226-R230 PolarHBondContact O-N 3.26Å; L227-R230 PolarHBondContact O-N 3.12Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 2.95Å |
| 231 | R | 86.3 | Confident | 76.6 | Confident | 202 Ų | 202 | 82.1 Ų | 82.1 | 76% | 0.762 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.2 | -27.5 | 173.4 | -66.4 | 174.1 | -168.2 | 178 | 2.5 | 113.5 | L227 R228 H229 | L227-R231 WeakPolarHBondContact O-CG 3.46Å; L227-R231 PolarHBondContact O-N 3.28Å; R228-R231 PolarHBondContact O-N 3.25Å; H229-R231 VanDerWaalsContact C-N 3.25Å; H229-R231 PolarHBondContact O-N 3.48Å |
| 232 | L | 81.6 | Confident | 75 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -98.4 | -32 | -177.7 | -58.5 | 178.8 | 0 | 0 | 0 | 112.3 | H229 R230 G234 A235 | H229-L232 CarbonylContact O-C 3.59Å; H229-L232 WeakPolarHBondContact O-CA 3.3Å; H229-L232 PolarHBondContact O-N 3.17Å; R230-L232 VanDerWaalsContact C-N 3.29Å; R230-L232 PolarHBondContact O-N 2.95Å; L232-G234 PolarHBondContact O-N 3.45Å; L232-A235 WeakPolarHBondContact O-CB 3.24Å; L232-A235 PolarHBondContact O-N 2.81Å |
| 233 | C | 80.1 | Confident | 72.9 | Confident | 28 Ų | 28 | 88.3 Ų | 88.3 | 19% | 0.189 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.1 | -24.6 | -174.3 | -171.4 | 0 | 0 | 0 | 0 | 114.5 | H229 A235 I239 | H229-C233 WeakPolarHBondContact O-CB 3.32Å; H229-C233 PolarHBondContact O-N 3.18Å; C233-A235 VanDerWaalsContact C-N 3.34Å; C233-I239 HydrophobicContact CB-CD1 3.73Å |
| 234 | G | 70.1 | Confident | 70.9 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | L232 | L232-G234 PolarHBondContact O-N 3.45Š|
| 235 | A | 67.2 | Low | 69.1 | Low | 48 Ų | 48 | 91.3 Ų | 91.3 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 19 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L232 C233 R237 | L232-A235 WeakPolarHBondContact O-CB 3.24Å; L232-A235 PolarHBondContact O-N 2.81Å; C233-A235 VanDerWaalsContact C-N 3.34Å; A235-R237 PolarHBondContact O-N 3.23Å |
| 236 | G | 59 | Low | 67.1 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 88% | 0.876 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 0.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 237 | R | 58.4 | Low | 65.3 | Low | 151 Ų | 151 | 97.1 Ų | 97.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | trans | -74.4 | 140.1 | 178 | -71.3 | -177.3 | -75.1 | -106.4 | 1.5 | 110.4 | A235 I239 | A235-R237 PolarHBondContact O-N 3.23Å; R237-I239 PolarHBondContact O-N 3.29Å | ||
| 238 | S | 51.5 | Low | 63.4 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 83% | 0.832 | 52% | 0.52 | S | S | * | . | trans | -58.7 | 99.6 | 166.4 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | P240 | S238-P240 WeakPolarHBondContact O-CD 3.49Š| ||
| 239 | I | 57.5 | Low | 62.1 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 31% | 0.313 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.6 | 169.2 | -46.3 | 173.7 | 0 | 0 | 0 | 105.1 | H229 C233 R237 K241 | H229-I239 WeakPolarHBondContact CE1-CD1 3.25Å; C233-I239 HydrophobicContact CB-CD1 3.73Å; R237-I239 PolarHBondContact O-N 3.29Å; I239-K241 PolarHBondContact O-N 2.73Å |
| 240 | P | 55.6 | Low | 60.5 | Low | 109 Ų | 109 | 99.4 Ų | 99.4 | 71% | 0.708 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 122.8 | 167 | -21.3 | 32.7 | 0 | 0 | 0 | 106.7 | S238 E242 | S238-P240 WeakPolarHBondContact O-CD 3.49Å; P240-E242 PolarHBondContact O-N 3.02Å; P240-E242 VanDerWaalsContact O-N 3.09Å |
| 241 | K | 54.1 | Low | 58.9 | Low | 179 Ų | 179 | 95.8 Ų | 95.8 | 78% | 0.778 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 126 | 169.1 | -68.2 | 179.4 | 179 | 177.8 | 0 | 105.1 | I239 E243 | I239-K241 PolarHBondContact O-N 2.73Å; K241-E243 HydrophobicContact CB-CB 4.45Å; K241-E243 PolarHBondContact O-N 3.19Å |
| 242 | E | 55 | Low | 57 | Low | 49 Ų | 49 | 97 Ų | 97 | 23% | 0.229 | 55% | 0.545 | C | S | . | . | trans | -73.5 | 60.3 | 160.5 | -70.3 | -155.7 | 165.8 | 0 | 0 | 106.8 | R225 R228 P240 N244 Q245 | R225-E242 IonicContact NH1-OE1 2.73Å; R225-E242 PolarHBondContact NH1-OE1 3.23Å; R228-E242 IonicContact NH2-OE1 3.47Å; R228-E242 PolarHBondContact NH2-OE1 3.44Å; P240-E242 PolarHBondContact O-N 3.02Å; P240-E242 VanDerWaalsContact O-N 3.09Å; E242-N244 PolarHBondContact O-N 2.9Å; E242-Q245 PolarHBondContact OE1-NE2 3.11Å | ||
| 243 | E | 44.4 | Very low | 55.1 | Low | 168 Ų | 168 | 96.1 Ų | 96.1 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | trans | -49.7 | 124.7 | 152.3 | 176.9 | 169.1 | -155.5 | 0 | 0 | 105.2 | K241 Q245 | K241-E243 HydrophobicContact CB-CB 4.45Å; K241-E243 PolarHBondContact O-N 3.19Å; E243-Q245 PolarHBondContact O-N 3.12Å | ||
| 244 | N | 48.5 | Very low | 53 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | trans | -30.3 | 108.4 | -154.2 | -64.7 | -43.5 | 0 | 0 | 0 | 112.1 | K209 E242 S246 | K209-N244 PolarHBondContact NZ-OD1 2.79Å; E242-N244 PolarHBondContact O-N 2.9Å; N244-S246 PolarHBondContact O-N 2.87Å | ||
| 245 | Q | 51.1 | Low | 51.3 | Low | 84 Ų | 84 | 100.2 Ų | 100.2 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | trans | -59.8 | 86.2 | 151.3 | -97.5 | 165.1 | 53 | 0 | 0 | 104.9 | E242 E243 F247 | E242-Q245 PolarHBondContact OE1-NE2 3.11Å; E243-Q245 PolarHBondContact O-N 3.12Å; Q245-F247 HydrophobicContact CB-CD2 4.45Å; Q245-F247 HydrophobicContact CB-CE2 3.99Å; Q245-F247 HydrophobicContact CB-CZ 4.39Å; Q245-F247 WeakPolarHBondContact O-CD2 3.4Å; Q245-F247 PolarHBondContact O-N 3.19Å | ||
| 246 | S | 46.8 | Very low | 49.8 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | trans | -58.5 | 94.4 | 163.2 | 41 | 0 | 0 | 0 | 0 | 103.9 | N244 S248 | N244-S246 PolarHBondContact O-N 2.87Å; S246-S248 PolarHBondContact O-N 3.12Å | ||
| 247 | F | 51.7 | Low | 48.6 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 39% | 0.39 | 61% | 0.606 | S | S | . | * | trans | -67.1 | 71.7 | 157 | -67.2 | -82 | 0 | 0 | 0 | 105.2 | V204 Q245 C249 | V204-F247 HydrophobicContact CB-CB 4.25Å; V204-F247 HydrophobicContact CG1-CB 3.59Å; V204-F247 VanDerWaalsContact CG1-O 3.28Å; V204-F247 WeakPolarHBondContact CG1-O 3.4Å; V204-F247 HydrophobicContact CG2-CB 3.6Å; V204-F247 HydrophobicContact CG2-CD2 4.02Å; V204-F247 HydrophobicContact CG2-CG 3.87Å; Q245-F247 HydrophobicContact CB-CD2 4.45Å; Q245-F247 HydrophobicContact CB-CE2 3.99Å; Q245-F247 HydrophobicContact CB-CZ 4.39Å; Q245-F247 WeakPolarHBondContact O-CD2 3.4Å; Q245-F247 PolarHBondContact O-N 3.19Å; F247-C249 PolarHBondContact O-N 3.12Å | ||
| 248 | S | 50 | Low | 47.7 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | trans | -55.9 | 117.2 | 178.2 | -161.5 | 0 | 0 | 0 | 0 | 105.2 | S246 E250 | S246-S248 PolarHBondContact O-N 3.12Å; S248-E250 VanDerWaalsContact CB-OE1 3.3Å; S248-E250 WeakPolarHBondContact CB-OE1 3.45Å; S248-E250 PolarHBondContact O-N 2.92Å; S248-E250 PolarHBondContact OG-OE1 3.11Å | ||
| 249 | C | 58.9 | Low | 46.7 | Very low | 46 Ų | 46 | 109.8 Ų | 109.8 | 31% | 0.311 | 61% | 0.61 | S | S | . | * | trans | -81.7 | 49 | -174.4 | -158.1 | 0 | 0 | 0 | 0 | 109.8 | C188 H205 F247 G251 | C188-C249 WeakPolarHBondContact CB-SG 3.3Å; C188-C249 PolarHBondContact SG-SG 3.14Å; H205-C249 WeakPolarHBondContact CE1-CB 3.29Å; H205-C249 PolarHBondContact CE1-SG 2.81Å; F247-C249 PolarHBondContact O-N 3.12Å; C249-G251 PolarHBondContact O-N 3.07Å | ||
| 250 | E | 54.7 | Low | 45.5 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | trans | -72.7 | 97.5 | 178.1 | -78.8 | 162.8 | -140.7 | 0 | 0 | 108.1 | S248 R252 | S248-E250 VanDerWaalsContact CB-OE1 3.3Å; S248-E250 WeakPolarHBondContact CB-OE1 3.45Å; S248-E250 PolarHBondContact O-N 2.92Å; S248-E250 PolarHBondContact OG-OE1 3.11Å; E250-R252 PolarHBondContact O-N 3.04Å | ||
| 251 | G | 53.9 | Low | 44.7 | Very low | 45 Ų | 45 | 112.6 Ų | 112.6 | 46% | 0.464 | 64% | 0.64 | S | S | . | * | trans | -62.5 | 91.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C249 G253 | C249-G251 PolarHBondContact O-N 3.07Å; G251-G253 PolarHBondContact O-N 3.17Å; G251-G253 VanDerWaalsContact O-N 3.12Å | ||
| 252 | R | 46.8 | Very low | 44 | Very low | 227 Ų | 227 | 107.2 Ų | 107.2 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | trans | -81.6 | 70.1 | 150.8 | -89.1 | -177.2 | -83.3 | -137.4 | -7 | 109.2 | E250 G254 | E250-R252 PolarHBondContact O-N 3.04Å; R252-G254 PolarHBondContact O-N 2.95Å | ||
| 253 | G | 42.9 | Very low | 43 | Very low | 57 Ų | 57 | 114.2 Ų | 114.2 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -65.8 | 82.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | G251 A255 | G251-G253 PolarHBondContact O-N 3.17Å; G251-G253 VanDerWaalsContact O-N 3.12Å; G253-A255 PolarHBondContact O-N 3.14Å | ||
| 254 | G | 34.9 | Very low | 42.8 | Very low | 76 Ų | 76 | 113.3 Ų | 113.3 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | trans | -72.2 | 64.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | R252 Y256 | R252-G254 PolarHBondContact O-N 2.95Å; G254-Y256 PolarHBondContact O-N 3.13Å | ||
| 255 | A | 34.3 | Very low | 42.1 | Very low | 86 Ų | 86 | 111.8 Ų | 111.8 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -75.4 | 105.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | G253 S257 | G253-A255 PolarHBondContact O-N 3.14Å; A255-S257 VanDerWaalsContact C-N 3.3Å; A255-S257 PolarHBondContact O-N 2.98Å | ||
| 256 | Y | 36.8 | Very low | 41.1 | Very low | 199 Ų | 199 | 112.5 Ų | 112.5 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | trans | -77.1 | 89.7 | 170.2 | 73 | -78.7 | 0 | 0 | 0 | 107.6 | G254 | G254-Y256 PolarHBondContact O-N 3.13Š| ||
| 257 | S | 32.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -92.8 | 96.3 | 163.7 | -68 | 0 | 0 | 0 | 0 | 107.3 | A255 D259 | A255-S257 VanDerWaalsContact C-N 3.3Å; A255-S257 PolarHBondContact O-N 2.98Å; S257-D259 PolarHBondContact O-N 3.49Å | ||
| 258 | Q | 38.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 121 Ų | 121 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | trans | -67.9 | 112.6 | 156.9 | -64.5 | 177 | -78.6 | 0 | 0 | 105.9 | H96 | H96-Q258 PolarHBondContact NE2-NE2 2.9Š| ||
| 259 | D | 31.5 | Very low | 39 | Very low | 163 Ų | 163 | 123 Ų | 123 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | 155.3 | 85.2 | 153.3 | -79.4 | -24.1 | 0 | 0 | 0 | 111.8 | S257 | S257-D259 PolarHBondContact O-N 3.49Š| ||
| 260 | A | 31.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -175.4 | 126.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | P | 40 | Very low | 36.9 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 146.9 | 175.6 | 34.7 | -32.6 | 0 | 0 | 0 | 112.7 | ||||
| 262 | G | 38.5 | Very low | 36.1 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 83.7 | 86.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 263 | H | 33.9 | Very low | 35.7 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -137.9 | 101.5 | 144 | -97.2 | -80.8 | 0 | 0 | 0 | 110 | A265 | H263-A265 PolarHBondContact O-N 2.85Š| ||
| 264 | T | 40.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 105 | 166.1 | 49.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 265 | A | 34.1 | Very low | 35.6 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -109.2 | 101.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | H263 | H263-A265 PolarHBondContact O-N 2.85Š| ||
| 266 | A | 29.3 | Very low | 36.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -61.6 | 137.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 267 | W | 29.3 | Very low | 36.8 | Very low | 250 Ų | 250 | 144.9 Ų | 144.9 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | trans | -101.5 | 115.4 | 166.1 | -82 | 28.9 | 0 | 0 | 0 | 108.6 | ||||
| 268 | S | 29.9 | Very low | 37.3 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -146.3 | 153.9 | 170.8 | -91.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 269 | P | 47 | Very low | 37.8 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 86% | 0.855 | S | S | * | * | -114 | 159 | -129.4 | 38.9 | -34 | 0 | 0 | 0 | 114.9 | |||||
| 270 | L | 31.9 | Very low | 38.1 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | trans | -124 | 95 | 162.5 | -111 | 88.6 | 0 | 0 | 0 | 112.2 | ||||
| 271 | Q | 37.3 | Very low | 38.5 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 86% | 0.857 | S | S | * | * | 24.6 | 118.1 | 121.5 | -164.6 | 171.4 | 14.7 | 0 | 0 | 118.5 | |||||
| 272 | Q | 37 | Very low | 38.4 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 94% | 0.939 | 86% | 0.857 | S | S | * | * | trans | -137.4 | 154.2 | 149.2 | -137.3 | 169.9 | 46.6 | 0 | 0 | 110.9 | ||||
| 273 | Q | 38.1 | Very low | 38.4 | Very low | 165 Ų | 165 | 156.6 Ų | 156.6 | 77% | 0.771 | 87% | 0.867 | S | S | * | * | trans | -99.7 | 148.2 | -151.5 | -66.6 | 170.7 | -12.6 | 0 | 0 | 114.7 | ||||
| 274 | S | 35.9 | Very low | 38.6 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 87% | 0.865 | S | S | * | * | trans | 21.8 | 116.7 | 139.4 | 175.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 275 | S | 40.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 88% | 0.881 | 86% | 0.862 | S | S | * | * | trans | -129.8 | 110.9 | 134.8 | -72.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 276 | R | 48.8 | Very low | 38.8 | Very low | 237 Ų | 237 | 159.6 Ų | 159.6 | 89% | 0.894 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.1 | 172 | -72.7 | -175.6 | 174 | -157.4 | -1.4 | 109.7 | ||
| 277 | L | 45.7 | Very low | 39.6 | Very low | 172 Ų | 172 | 164.3 Ų | 164.3 | 90% | 0.901 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142.4 | 164.5 | -68.4 | 168.6 | 0 | 0 | 0 | 109.4 | ||
| 278 | A | 43.8 | Very low | 40.4 | Very low | 103 Ų | 103 | 157.2 Ų | 157.2 | 85% | 0.851 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 125.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 279 | V | 49.3 | Very low | 41.4 | Very low | 218 Ų | 218 | 160.9 Ų | 160.9 | 100% | 1.321 | 88% | 0.878 | S | S | * | * | trans | -143.9 | 0 | 160.7 | -179.4 | 0 | 0 | 0 | 0 | 106 |
Retrieved 279 of 279 residues in 519.4 ms
(Link to these results)