| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 36.8 | Very low | 222 Ų | 222 | 137.4 Ų | 137.4 | 100% | 1.094 | 80% | 0.804 | S | S | * | * | 0 | 69.6 | 0 | -55.8 | -67.3 | 101.8 | 0 | 0 | 106.2 | |||||
| 2 | S | 33.8 | Very low | 36.5 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | 83.6 | 106.4 | 83.3 | -57.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 3 | S | 38 | Very low | 36.3 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -52.2 | 169.1 | 152.7 | -44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | P | 54.3 | Low | 35.9 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -142.3 | -178.3 | 23.2 | 41.5 | -21.3 | 0 | 0 | 0 | 116.9 | ||||
| 5 | L | 34.1 | Very low | 35.5 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -102.4 | 135.3 | 154.5 | -86.7 | 168.3 | 0 | 0 | 0 | 109.1 | ||||
| 6 | A | 35 | Very low | 35.5 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | trans | -132.3 | 143.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | S | 38.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -148.8 | 118.4 | 169.7 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | E | 36.1 | Very low | 35.9 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -129 | 161.9 | 171.4 | -71.4 | -178.8 | 78 | 0 | 0 | 106 | ||||
| 9 | L | 36.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | cis | -153.3 | -153.2 | 9.4 | -137.6 | 169.4 | 0 | 0 | 0 | 107.7 | ||||
| 10 | S | 30.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 81.5 | 115.4 | 154.5 | -51.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 11 | E | 33.9 | Very low | 35.2 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | 105 | 150.2 | 16.5 | -158.1 | -171.6 | 161.8 | 0 | 0 | 114.8 | ||||
| 12 | L | 33.9 | Very low | 34.9 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 95.9 | 108 | 169.5 | -55.5 | 176.7 | 0 | 0 | 0 | 115.5 | ||||
| 13 | A | 33.1 | Very low | 35 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | 91 | 146.4 | 65.6 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 14 | A | 31.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -166.5 | 167.9 | -14 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 15 | L | 29 | Very low | 34.3 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | 178.6 | 145 | 145.8 | -99.7 | 159.7 | 0 | 0 | 0 | 114 | ||||
| 16 | R | 35.5 | Very low | 34.1 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -145 | 148.3 | 172.2 | -111.3 | -171.2 | 176.5 | -168.5 | 1.2 | 108.6 | ||||
| 17 | P | 47.9 | Very low | 33.8 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -141.9 | -167.8 | 82.9 | 32.1 | -11.3 | 0 | 0 | 0 | 112.7 | |||||
| 18 | G | 31.1 | Very low | 33.4 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 145.3 | 151.8 | -13 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | F | 28.6 | Very low | 33.2 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 68 | 150.8 | 174.5 | -65.3 | -91.2 | 0 | 0 | 0 | 118.4 | ||||
| 20 | R | 33.1 | Very low | 33.2 | Very low | 197 Ų | 197 | 140 Ų | 140 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | -169.9 | 154.1 | -32.5 | -123.8 | -164.2 | -164.4 | -133.9 | 5.9 | 109.5 | ||||
| 21 | L | 31.1 | Very low | 33 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | trans | 57 | 132.1 | 153.4 | -59 | 169.3 | 0 | 0 | 0 | 119.2 | ||||
| 22 | S | 28.7 | Very low | 32.9 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -174.6 | 156.7 | 73.7 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 23 | A | 34.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -121.2 | 161.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 24 | P | 46.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | -144.3 | 169.1 | 129.4 | 34.9 | -18.9 | 0 | 0 | 0 | 116.2 | |||||
| 25 | H | 32.2 | Very low | 32.6 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -53.4 | 162.3 | 168.6 | -61 | -81 | 0 | 0 | 0 | 113 | ||||
| 26 | A | 28.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -174.3 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 27 | R | 30.4 | Very low | 32.4 | Very low | 238 Ų | 238 | 144.3 Ų | 144.3 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -66 | 158 | 175.1 | -59.4 | 166.4 | 165.2 | 179 | -6.9 | 112.4 | ||||
| 28 | V | 29.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | -172.6 | 140.6 | 125.3 | 143.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 29 | A | 31.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | trans | -114.4 | 156.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | P | 35.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -112.5 | 159.4 | 156.6 | 30.5 | -18.6 | 0 | 0 | 0 | 113.3 | ||||
| 31 | R | 27.5 | Very low | 31.7 | Very low | 245 Ų | 245 | 144.1 Ų | 144.1 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -91.6 | 166.1 | -170.3 | -66.8 | 159.8 | 69.4 | -169.9 | 6 | 112.5 | ||||
| 32 | A | 29.9 | Very low | 31.6 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -67.5 | 146 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 33 | A | 29.6 | Very low | 31.8 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | 176.2 | 149 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 34 | T | 30.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 84% | 0.84 | S | S | * | * | cis | -162.5 | 169.6 | -5.2 | 13.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 35 | H | 32.7 | Very low | 30.9 | Very low | 199 Ų | 199 | 146 Ų | 146 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -54.4 | 148 | 172.5 | -66 | -90.3 | 0 | 0 | 0 | 114.7 | ||||
| 36 | G | 30 | Very low | 30.7 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -141.5 | 117 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 37 | R | 31.1 | Very low | 31 | Very low | 246 Ų | 246 | 143.7 Ų | 143.7 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -82.2 | 141 | 173.2 | -78.1 | -178.3 | 169.8 | -157.4 | -1.2 | 110.5 | ||||
| 38 | G | 29.4 | Very low | 31.5 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -133.2 | 127.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | R | 34.4 | Very low | 31.6 | Very low | 242 Ų | 242 | 142.2 Ų | 142.2 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | -116.4 | 142 | -179.4 | -110.3 | -173.3 | 170 | -138.2 | 0.7 | 110 | ||||
| 40 | G | 29.1 | Very low | 31.5 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | trans | 178.5 | 97.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 41 | Q | 33.3 | Very low | 31.2 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | 50.4 | 99.2 | 88.2 | -63.1 | -152.5 | 85.1 | 0 | 0 | 111.8 | |||||
| 42 | A | 29 | Very low | 31.3 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | 93.7 | 125.6 | 59.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 43 | S | 32.3 | Very low | 31.3 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -165.3 | 155.2 | 149.5 | -84.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 44 | H | 31.2 | Very low | 31.5 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 89% | 0.889 | 83% | 0.834 | S | S | * | * | trans | -104.7 | 176.9 | -163.6 | -93.4 | -93.1 | 0 | 0 | 0 | 114.2 | ||||
| 45 | A | 30.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | 87 | 140.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 46 | G | 28.8 | Very low | 31.9 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | -167.4 | 163.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 47 | Q | 33.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 159 | 167.3 | -84.2 | -160 | 9.1 | 0 | 0 | 110.7 | ||||
| 48 | P | 41.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -139.3 | 171.5 | 93.7 | 30.8 | -12.3 | 0 | 0 | 0 | 116.2 | |||||
| 49 | R | 31.3 | Very low | 33.5 | Very low | 218 Ų | 218 | 137.9 Ų | 137.9 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 170.3 | -174.6 | -51.3 | 166.7 | 178.4 | -163.1 | -3.4 | 113.2 | ||||
| 50 | L | 30.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | 175.1 | 124.2 | 129.7 | -89.1 | 168.1 | 0 | 0 | 0 | 106.3 | |||||
| 51 | R | 28.1 | Very low | 33.6 | Very low | 229 Ų | 229 | 135.1 Ų | 135.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | cis | 83.5 | 94.8 | 42 | -150.6 | -165.4 | -149.2 | -108.5 | 4.3 | 114.8 | ||||
| 52 | S | 30.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 166.2 | 157.7 | 146.6 | 55 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | S | 29.2 | Very low | 33.7 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | cis | 171.9 | 127.6 | -21 | -88.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 54 | C | 33.7 | Very low | 33.7 | Very low | 128 Ų | 128 | 141 Ų | 141 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 158.5 | 166.6 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 55 | P | 39.5 | Very low | 33.9 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -144.9 | 152.4 | 110.7 | 37.4 | -23.7 | 0 | 0 | 0 | 114.7 | |||||
| 56 | G | 33.3 | Very low | 34.6 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 163.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 57 | P | 39.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -146.9 | 165.4 | 114.7 | 37 | -21.2 | 0 | 0 | 0 | 115.8 | |||||
| 58 | S | 33.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -90.4 | -164 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | P | 50.5 | Low | 34.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -129.8 | 167.4 | -50.6 | 30.8 | -13.7 | 0 | 0 | 0 | 114.6 | |||||
| 60 | G | 31.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | 128 | 149.5 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 61 | K | 35 | Very low | 34.6 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | 90.8 | 119.4 | 141.4 | -69.1 | 175.4 | -178.4 | 167.7 | 0 | 122.4 | ||||
| 62 | R | 32.3 | Very low | 35.1 | Very low | 202 Ų | 202 | 123.4 Ų | 123.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 76.5 | 150 | 136 | -64.9 | 175.1 | -174.1 | -166.7 | 0.8 | 116.1 | ||||
| 63 | R | 31.2 | Very low | 35.4 | Very low | 210 Ų | 210 | 129.8 Ų | 129.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | cis | -162.5 | 170.2 | 10.2 | -158.4 | -164 | -78.5 | -129.9 | 4.1 | 111.3 | ||||
| 64 | V | 32.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | trans | 96.8 | 114 | 151.8 | -171.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 65 | V | 36.3 | Very low | 36.1 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -111.5 | 147.4 | 143.4 | 174.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 66 | P | 45.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -132.6 | 151.9 | 124.1 | 37.4 | -29.1 | 0 | 0 | 0 | 113.2 | |||||
| 67 | S | 32.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 162.1 | -175.9 | -42 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | G | 29.7 | Very low | 35.9 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 161.2 | 115.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 69 | G | 30.9 | Very low | 35.9 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 131.3 | 80.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 70 | A | 36.4 | Very low | 35.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -99.6 | 130.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 71 | Q | 36.8 | Very low | 35.9 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -145 | 144.7 | 150.4 | -81.7 | -62 | 11.6 | 0 | 0 | 109.1 | ||||
| 72 | P | 38.1 | Very low | 36.2 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 131.3 | -170.7 | 32.8 | -32.7 | 0 | 0 | 0 | 111.6 | V74 | P72-V74 PolarHBondContact O-N 3.33Š| ||
| 73 | R | 35.7 | Very low | 36.8 | Very low | 247 Ų | 247 | 137.8 Ų | 137.8 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -80.9 | 112.9 | 160.6 | -79.5 | -172.5 | 173.7 | -179.6 | -1.7 | 108.9 | L75 | R73-L75 PolarHBondContact O-N 3.16Š| ||
| 74 | V | 36.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 128.9 | 169.6 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | P72 P76 | P72-V74 PolarHBondContact O-N 3.33Å; V74-P76 WeakPolarHBondContact O-CD 3.37Å |
| 75 | L | 41.5 | Very low | 38.3 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 124.2 | 169.1 | -65.4 | 168.8 | 0 | 0 | 0 | 108.7 | R73 A77 | R73-L75 PolarHBondContact O-N 3.16Å; L75-A77 PolarHBondContact O-N 3.4Å |
| 76 | P | 40.6 | Very low | 39.2 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 128.7 | 158.4 | -11.9 | 27.9 | 0 | 0 | 0 | 107.4 | V74 | V74-P76 WeakPolarHBondContact O-CD 3.37Š|
| 77 | A | 32.6 | Very low | 39.4 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 144.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L75 S79 | L75-A77 PolarHBondContact O-N 3.4Å; A77-S79 PolarHBondContact O-N 3.45Å |
| 78 | L | 35.9 | Very low | 40.5 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -62.7 | 89.5 | 167.5 | -69.9 | 168.3 | 0 | 0 | 0 | 108.5 | Q80 | L78-Q80 PolarHBondContact O-N 3.42Š| ||
| 79 | S | 32.9 | Very low | 41.8 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -58.6 | 109.7 | 158.2 | -179.2 | 0 | 0 | 0 | 0 | 105.8 | A77 R81 | A77-S79 PolarHBondContact O-N 3.45Å; S79-R81 PolarHBondContact O-N 3.19Å | ||
| 80 | Q | 45.4 | Very low | 43.3 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -65.6 | 81.9 | 169 | -71 | -178.7 | 2 | 0 | 0 | 107.1 | L78 S82 | L78-Q80 PolarHBondContact O-N 3.42Å; Q80-S82 PolarHBondContact O-N 3.19Å | ||
| 81 | R | 36.1 | Very low | 44.7 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 98.2 | 164.7 | -150.1 | 176.1 | -166.5 | 178.6 | 3.4 | 104.4 | S79 Y83 | S79-R81 PolarHBondContact O-N 3.19Å; R81-Y83 HydrophobicContact CB-CD2 4.45Å; R81-Y83 HydrophobicContact CB-CE2 4.05Å; R81-Y83 WeakPolarHBondContact O-CD2 3.29Å; R81-Y83 PolarHBondContact O-N 3.19Å | ||
| 82 | S | 41.6 | Very low | 46.5 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -60 | 87.8 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 108.1 | Q80 L84 | Q80-S82 PolarHBondContact O-N 3.19Å; S82-L84 PolarHBondContact O-N 3.37Å | ||
| 83 | Y | 43.9 | Very low | 48.9 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -69.7 | 71 | 162.6 | -66.2 | -77.9 | 0 | 0 | 0 | 107.2 | R81 L85 | R81-Y83 HydrophobicContact CB-CD2 4.45Å; R81-Y83 HydrophobicContact CB-CE2 4.05Å; R81-Y83 WeakPolarHBondContact O-CD2 3.29Å; R81-Y83 PolarHBondContact O-N 3.19Å; Y83-L85 PolarHBondContact O-N 3.42Å | ||
| 84 | L | 46.8 | Very low | 51.4 | Low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -65.8 | 69.9 | 148.4 | -66.5 | 179.9 | 0 | 0 | 0 | 106.7 | S82 P86 | S82-L84 PolarHBondContact O-N 3.37Å; L84-P86 WeakPolarHBondContact O-CD 3.39Å | ||
| 85 | L | 49.3 | Very low | 54 | Low | 113 Ų | 113 | 127.9 Ų | 127.9 | 59% | 0.592 | 68% | 0.681 | S | S | * | * | trans | -57.8 | 117.9 | 152.5 | -78.3 | 159.9 | 0 | 0 | 0 | 105.2 | Y83 M87 | Y83-L85 PolarHBondContact O-N 3.42Å; L85-M87 HydrophobicContact CB-CE 3.92Å; L85-M87 HydrophobicContact CB-CG 4.48Å; L85-M87 HydrophobicContact CD2-CE 4.49Å; L85-M87 PolarHBondContact O-N 3.03Å | ||
| 86 | P | 54 | Low | 56.3 | Low | 86 Ų | 86 | 125 Ų | 125 | 56% | 0.558 | 66% | 0.664 | S | S | * | * | trans | -69 | 90.9 | 170.9 | -14 | 30.8 | 0 | 0 | 0 | 107.1 | L84 A88 S89 | L84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-A88 PolarHBondContact O-N 3.25Å; P86-S89 PolarHBondContact O-N 2.86Å; P86-S89 PolarHBondContact O-OG 3.31Å | ||
| 87 | M | 50.6 | Low | 58.6 | Low | 163 Ų | 163 | 121.6 Ų | 121.6 | 80% | 0.803 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 41.7 | 168.6 | -71.4 | -70.2 | 108.9 | 0 | 0 | 110.7 | L85 | L85-M87 HydrophobicContact CB-CE 3.92Å; L85-M87 HydrophobicContact CB-CG 4.48Å; L85-M87 HydrophobicContact CD2-CE 4.49Å; L85-M87 PolarHBondContact O-N 3.03Å |
| 88 | A | 56.3 | Low | 61.5 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.3 | -4 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | P86 | P86-A88 PolarHBondContact O-N 3.25Š|
| 89 | S | 56.5 | Low | 64.2 | Low | 37 Ų | 37 | 118.4 Ų | 118.4 | 26% | 0.259 | 61% | 0.607 | S | S | . | * | trans | -109.8 | -3.2 | -163.9 | 65 | 0 | 0 | 0 | 0 | 117.3 | P86 Q92 T93 | P86-S89 PolarHBondContact O-N 2.86Å; P86-S89 PolarHBondContact O-OG 3.31Å; S89-Q92 PolarHBondContact O-N 3.15Å; S89-T93 WeakPolarHBondContact O-CB 3.14Å; S89-T93 PolarHBondContact O-N 3.14Å; S89-T93 PolarHBondContact O-OG1 3.07Å | ||
| 90 | H | 60.9 | Low | 66.9 | Low | 168 Ų | 168 | 119.1 Ų | 119.1 | 78% | 0.778 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -51.5 | -45.7 | 174.9 | -95.2 | 81 | 0 | 0 | 0 | 113.9 | R94 | H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.46Å; H90-R94 PolarHBondContact O-N 3.32Å |
| 91 | P | 66.4 | Low | 69 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -41.3 | 172.1 | 25.8 | -32.6 | 0 | 0 | 0 | 112.8 | T93 R94 I95 | P91-T93 PolarHBondContact O-N 2.83Å; P91-R94 PolarHBondContact O-N 3.44Å; P91-I95 VanDerWaalsContact O-CG1 3.3Å; P91-I95 WeakPolarHBondContact O-CG1 3.44Å; P91-I95 PolarHBondContact O-N 3Å |
| 92 | Q | 75.8 | Confident | 71.6 | Confident | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.6 | -49 | 178.6 | -130 | 91 | 5.5 | 0 | 0 | 112.1 | S89 R94 I95 Q96 | S89-Q92 PolarHBondContact O-N 3.15Å; Q92-R94 VanDerWaalsContact C-N 3.33Å; Q92-R94 PolarHBondContact O-N 3.46Å; Q92-I95 PolarHBondContact O-N 2.88Å; Q92-Q96 WeakPolarHBondContact O-CB 3.25Å; Q92-Q96 PolarHBondContact O-N 3.29Å |
| 93 | T | 86.9 | Confident | 74 | Confident | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -35.3 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | S89 P91 A97 | S89-T93 WeakPolarHBondContact O-CB 3.14Å; S89-T93 PolarHBondContact O-N 3.14Å; S89-T93 PolarHBondContact O-OG1 3.07Å; P91-T93 PolarHBondContact O-N 2.83Å; T93-A97 VanDerWaalsContact O-CB 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.22Å; T93-A97 PolarHBondContact O-N 3.42Å |
| 94 | R | 89.9 | Confident | 76.2 | Confident | 204 Ų | 204 | 110.7 Ų | 110.7 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.8 | -40.5 | 172.9 | -179.5 | -179.7 | 174 | -169.2 | -1.4 | 112.3 | H90 P91 Q92 Y98 | H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.46Å; H90-R94 PolarHBondContact O-N 3.32Å; P91-R94 PolarHBondContact O-N 3.44Å; Q92-R94 VanDerWaalsContact C-N 3.33Å; Q92-R94 PolarHBondContact O-N 3.46Å; R94-Y98 WeakPolarHBondContact O-CB 3.34Å; R94-Y98 PolarHBondContact O-N 3.37Å; R94-Y98 VanDerWaalsContact O-N 3.07Å |
| 95 | I | 90.1 | Very high | 78.3 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 175.2 | -68.6 | 162.7 | 0 | 0 | 0 | 109.7 | P91 Q92 A97 Y98 L99 | P91-I95 VanDerWaalsContact O-CG1 3.3Å; P91-I95 WeakPolarHBondContact O-CG1 3.44Å; P91-I95 PolarHBondContact O-N 3Å; Q92-I95 PolarHBondContact O-N 2.88Å; I95-A97 PolarHBondContact O-N 3.24Å; I95-Y98 WeakPolarHBondContact O-CB 3.49Å; I95-Y98 PolarHBondContact O-N 3.26Å; I95-Y98 VanDerWaalsContact O-N 3.08Å; I95-L99 HydrophobicContact CG2-CD1 3.96Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 3.06Å |
| 96 | Q | 89 | Confident | 80.4 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 178.8 | -174 | 61.9 | 21.1 | 0 | 0 | 111.9 | Q92 Y98 L99 E100 | Q92-Q96 WeakPolarHBondContact O-CB 3.25Å; Q92-Q96 PolarHBondContact O-N 3.29Å; Q96-Y98 PolarHBondContact O-N 2.89Å; Q96-L99 PolarHBondContact O-N 2.86Å; Q96-L99 VanDerWaalsContact O-N 3.14Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.06Å; Q96-E100 PolarHBondContact NE2-OE1 3.08Å; Q96-E100 WeakPolarHBondContact O-CG 3.41Å; Q96-E100 PolarHBondContact O-N 2.91Å |
| 97 | A | 89.4 | Confident | 82.2 | Confident | 50 Ų | 50 | 103 Ų | 103 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -31.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T93 I95 K101 | T93-A97 VanDerWaalsContact O-CB 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.22Å; T93-A97 PolarHBondContact O-N 3.42Å; I95-A97 PolarHBondContact O-N 3.24Å; A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 3.48Å |
| 98 | Y | 92.8 | Very high | 84.3 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 173.6 | 178.8 | -91.8 | 0 | 0 | 0 | 112.3 | R94 I95 Q96 N102 I104 | R94-Y98 WeakPolarHBondContact O-CB 3.34Å; R94-Y98 PolarHBondContact O-N 3.37Å; R94-Y98 VanDerWaalsContact O-N 3.07Å; I95-Y98 WeakPolarHBondContact O-CB 3.49Å; I95-Y98 PolarHBondContact O-N 3.26Å; I95-Y98 VanDerWaalsContact O-N 3.08Å; Q96-Y98 PolarHBondContact O-N 2.89Å; Y98-N102 VanDerWaalsContact CD2-ND2 3.33Å; Y98-N102 WeakPolarHBondContact CD2-ND2 3.19Å; Y98-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y98-N102 WeakPolarHBondContact O-CB 3.43Å; Y98-N102 PolarHBondContact O-N 3.46Å; Y98-N102 VanDerWaalsContact O-N 3.1Å; Y98-N102 PolarHBondContact O-ND2 3.38Å; Y98-I104 HydrophobicContact CD1-CD1 4Å; Y98-I104 HydrophobicContact CE1-CD1 3.56Å |
| 99 | L | 92.9 | Very high | 86.1 | Confident | 60 Ų | 60 | 104.1 Ų | 104.1 | 31% | 0.314 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.7 | -67.6 | 172.3 | 0 | 0 | 0 | 111.4 | I95 Q96 K103 I104 | I95-L99 HydrophobicContact CG2-CD1 3.96Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 3.06Å; Q96-L99 PolarHBondContact O-N 2.86Å; Q96-L99 VanDerWaalsContact O-N 3.14Å; L99-K103 CarbonylContact O-C 3.57Å; L99-K103 WeakPolarHBondContact O-CA 3.3Å; L99-K103 PolarHBondContact O-N 3.03Å; L99-I104 HydrophobicContact CD2-CB 3.8Å; L99-I104 HydrophobicContact CD2-CD1 3.96Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; L99-I104 HydrophobicContact CD2-CG2 3.69Å; L99-I104 PolarHBondContact O-N 2.9Å |
| 100 | E | 90.9 | Very high | 87.9 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -49.2 | 176.5 | -71.8 | 171.3 | -170.6 | 0 | 0 | 112 | Q96 N102 K103 | Q96-E100 WeakPolarHBondContact CG-OE1 3.06Å; Q96-E100 PolarHBondContact NE2-OE1 3.08Å; Q96-E100 WeakPolarHBondContact O-CG 3.41Å; Q96-E100 PolarHBondContact O-N 2.91Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.97Å; E100-K103 PolarHBondContact O-N 2.87Å |
| 101 | K | 89.9 | Confident | 89.5 | Confident | 181 Ų | 181 | 98.5 Ų | 98.5 | 79% | 0.787 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.3 | -36.6 | -179.8 | -178.8 | 173.2 | -178.1 | 173 | 0 | 113 | A97 | A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 3.48Å |
| 102 | N | 89.3 | Confident | 90.8 | Very high | 71 Ų | 71 | 98.2 Ų | 98.2 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2 | 178.1 | -64.9 | -78.5 | 0 | 0 | 0 | 113.2 | Y98 E100 I104 | Y98-N102 VanDerWaalsContact CD2-ND2 3.33Å; Y98-N102 WeakPolarHBondContact CD2-ND2 3.19Å; Y98-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y98-N102 WeakPolarHBondContact O-CB 3.43Å; Y98-N102 PolarHBondContact O-N 3.46Å; Y98-N102 VanDerWaalsContact O-N 3.1Å; Y98-N102 PolarHBondContact O-ND2 3.38Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.97Å; N102-I104 HydrophobicContact CB-CD1 3.74Å; N102-I104 HydrophobicContact CB-CG1 3.74Å; N102-I104 PolarHBondContact O-N 3.19Å |
| 103 | K | 91.8 | Very high | 91.7 | Very high | 142 Ų | 142 | 95.3 Ų | 95.3 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35.2 | -176.1 | -55.6 | -171.5 | 176.9 | -169.5 | 0 | 113.9 | L99 E100 G105 P106 L107 | L99-K103 CarbonylContact O-C 3.57Å; L99-K103 WeakPolarHBondContact O-CA 3.3Å; L99-K103 PolarHBondContact O-N 3.03Å; E100-K103 PolarHBondContact O-N 2.87Å; K103-G105 VanDerWaalsContact C-N 3.29Å; K103-G105 PolarHBondContact O-N 3.15Å; K103-P106 WeakPolarHBondContact O-CD 3.46Å; K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 VanDerWaalsContact O-CG 3.28Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.41Å |
| 104 | I | 90.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 93.8 Ų | 93.8 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | -174.4 | -68.9 | 165.8 | 0 | 0 | 0 | 111.2 | Y98 L99 N102 F108 | Y98-I104 HydrophobicContact CD1-CD1 4Å; Y98-I104 HydrophobicContact CE1-CD1 3.56Å; L99-I104 HydrophobicContact CD2-CB 3.8Å; L99-I104 HydrophobicContact CD2-CD1 3.96Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; L99-I104 HydrophobicContact CD2-CG2 3.69Å; L99-I104 PolarHBondContact O-N 2.9Å; N102-I104 HydrophobicContact CB-CD1 3.74Å; N102-I104 HydrophobicContact CB-CG1 3.74Å; N102-I104 PolarHBondContact O-N 3.19Å; I104-F108 VanDerWaalsContact O-CB 3.31Å; I104-F108 WeakPolarHBondContact O-CB 3.36Å; I104-F108 PolarHBondContact O-N 3.06Å |
| 105 | G | 92 | Very high | 92.1 | Very high | 41 Ų | 41 | 86.1 Ų | 86.1 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -62 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K103 L107 F108 E109 | K103-G105 VanDerWaalsContact C-N 3.29Å; K103-G105 PolarHBondContact O-N 3.15Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.41Å; G105-F108 WeakPolarHBondContact O-CB 3.33Å; G105-F108 PolarHBondContact O-N 2.71Å; G105-E109 PolarHBondContact O-N 2.94Å |
| 106 | P | 92.9 | Very high | 92.3 | Very high | 81 Ų | 81 | 87.2 Ų | 87.2 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.7 | -33.9 | 176.2 | -28.9 | 35.7 | 0 | 0 | 0 | 114.5 | K103 E110 | K103-P106 WeakPolarHBondContact O-CD 3.46Å; P106-E110 WeakPolarHBondContact O-CB 3.44Å; P106-E110 PolarHBondContact O-N 3.3Å |
| 107 | L | 92.3 | Very high | 92.5 | Very high | 71 Ų | 71 | 87.1 Ų | 87.1 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 173.6 | -73.2 | 170.4 | 0 | 0 | 0 | 111.6 | K103 G105 E110 L111 | K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 VanDerWaalsContact O-CG 3.28Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.41Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.41Å; L107-E110 PolarHBondContact O-N 3.02Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å |
| 108 | F | 93.6 | Very high | 92.5 | Very high | 130 Ų | 130 | 89.2 Ų | 89.2 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 176.3 | 178.5 | -100.1 | 0 | 0 | 0 | 111.8 | I104 G105 E110 L111 M112 | I104-F108 VanDerWaalsContact O-CB 3.31Å; I104-F108 WeakPolarHBondContact O-CB 3.36Å; I104-F108 PolarHBondContact O-N 3.06Å; G105-F108 WeakPolarHBondContact O-CB 3.33Å; G105-F108 PolarHBondContact O-N 2.71Å; F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 2.84Å; F108-L111 PolarHBondContact O-N 3.45Å; F108-M112 HydrophobicContact CD1-CG 3.99Å; F108-M112 HydrophobicContact CD2-CG 4.12Å; F108-M112 HydrophobicContact CE1-CG 3.55Å; F108-M112 HydrophobicContact CE1-SD 4.46Å; F108-M112 HydrophobicContact CE2-CG 3.69Å; F108-M112 HydrophobicContact CE2-SD 3.87Å; F108-M112 HydrophobicContact CG-CG 4.26Å; F108-M112 HydrophobicContact CZ-CG 3.39Å; F108-M112 HydrophobicContact CZ-SD 3.73Å; F108-M112 WeakPolarHBondContact O-CB 3.36Å; F108-M112 VanDerWaalsContact O-CG 3.29Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 2.96Å |
| 109 | E | 94.4 | Very high | 92.4 | Very high | 131 Ų | 131 | 87.7 Ų | 87.7 | 61% | 0.612 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58 | -42.7 | 174.5 | -173.6 | 177 | -169.6 | 0 | 0 | 111.5 | G105 T113 | G105-E109 PolarHBondContact O-N 2.94Å; E109-T113 VanDerWaalsContact O-CB 3.3Å; E109-T113 WeakPolarHBondContact O-CB 3.37Å; E109-T113 PolarHBondContact O-N 2.95Å; E109-T113 PolarHBondContact O-OG1 2.9Å |
| 110 | E | 93.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 86.3 Ų | 86.3 | 27% | 0.266 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.3 | -168.1 | -168.5 | 130.8 | 0 | 0 | 112.4 | P106 L107 F108 T113 K114 H130 K134 | P106-E110 WeakPolarHBondContact O-CB 3.44Å; P106-E110 PolarHBondContact O-N 3.3Å; L107-E110 PolarHBondContact O-N 3.02Å; F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-N 3.11Å; E110-K114 VanDerWaalsContact O-CB 3.3Å; E110-K114 WeakPolarHBondContact O-CB 3.47Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 2.9Å; E110-H130 IonicContact OE1-CD2 3.93Å; E110-H130 IonicContact OE1-CE1 3.38Å; E110-H130 PolarHBondContact OE1-CE1 3.19Å; E110-H130 IonicContact OE1-NE2 2.73Å; E110-H130 PolarHBondContact OE1-NE2 3.16Å; E110-K134 WeakPolarHBondContact OE1-CE 3.27Å; E110-K134 IonicContact OE1-NZ 2.77Å; E110-K134 PolarHBondContact OE1-NZ 3.45Å; E110-K134 IonicContact OE2-NZ 2.69Å; E110-K134 PolarHBondContact OE2-NZ 3.38Å |
| 111 | L | 94.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 88.5 Ų | 88.5 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 179.4 | -67.5 | 167.3 | 0 | 0 | 0 | 111.9 | L107 F108 K114 L115 L127 L131 | L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å; F108-L111 PolarHBondContact O-N 3.45Å; L111-K114 WeakPolarHBondContact O-CB 3.27Å; L111-K114 PolarHBondContact O-N 3.01Å; L111-L115 PolarHBondContact O-N 3Å; L111-L127 HydrophobicContact CB-CD2 3.79Å; L111-L127 HydrophobicContact CD2-CD2 3.57Å; L111-L127 HydrophobicContact CG-CD2 4.21Å; L111-L131 HydrophobicContact CD1-CD1 4.37Å; L111-L131 HydrophobicContact CD1-CD2 4.18Å; L111-L131 HydrophobicContact CD2-CD1 4.25Å; L111-L131 HydrophobicContact CD2-CD2 3.86Å; L111-L131 HydrophobicContact CD2-CG 3.74Å |
| 112 | M | 95 | Very high | 92.2 | Very high | 72 Ų | 72 | 86.3 Ų | 86.3 | 36% | 0.355 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 175.9 | -72.2 | -57.5 | -58.4 | 0 | 0 | 111.5 | F108 K114 L115 I116 | F108-M112 HydrophobicContact CD1-CG 3.99Å; F108-M112 HydrophobicContact CD2-CG 4.12Å; F108-M112 HydrophobicContact CE1-CG 3.55Å; F108-M112 HydrophobicContact CE1-SD 4.46Å; F108-M112 HydrophobicContact CE2-CG 3.69Å; F108-M112 HydrophobicContact CE2-SD 3.87Å; F108-M112 HydrophobicContact CG-CG 4.26Å; F108-M112 HydrophobicContact CZ-CG 3.39Å; F108-M112 HydrophobicContact CZ-SD 3.73Å; F108-M112 WeakPolarHBondContact O-CB 3.36Å; F108-M112 VanDerWaalsContact O-CG 3.29Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 2.96Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.24Å; M112-L115 PolarHBondContact O-N 3.32Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; M112-I116 WeakPolarHBondContact O-CD1 3.48Å; M112-I116 VanDerWaalsContact O-CG1 3.3Å; M112-I116 WeakPolarHBondContact O-CG1 3.37Å; M112-I116 PolarHBondContact O-N 2.83Å |
| 113 | T | 94.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 85.7 Ų | 85.7 | 46% | 0.46 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.3 | -48.6 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 110 | E109 E110 I116 T117 | E109-T113 VanDerWaalsContact O-CB 3.3Å; E109-T113 WeakPolarHBondContact O-CB 3.37Å; E109-T113 PolarHBondContact O-N 2.95Å; E109-T113 PolarHBondContact O-OG1 2.9Å; E110-T113 PolarHBondContact O-N 3.11Å; T113-I116 PolarHBondContact O-N 3.27Å; T113-I116 VanDerWaalsContact O-N 3.17Å; T113-T117 HydrophobicContact CG2-CG2 4.17Å; T113-T117 WeakPolarHBondContact O-CG2 3.5Å; T113-T117 PolarHBondContact O-N 3.35Å; T113-T117 PolarHBondContact O-OG1 3.08Å; T113-T117 VanDerWaalsContact O-OG1 3.07Å |
| 114 | K | 90.4 | Very high | 92.3 | Very high | 53 Ų | 53 | 84.9 Ų | 84.9 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.4 | -87.1 | -118.6 | 164.5 | -169.3 | 0 | 114.3 | E110 L111 M112 I116 T117 E118 F126 H130 | E110-K114 VanDerWaalsContact O-CB 3.3Å; E110-K114 WeakPolarHBondContact O-CB 3.47Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 2.9Å; L111-K114 WeakPolarHBondContact O-CB 3.27Å; L111-K114 PolarHBondContact O-N 3.01Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.24Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.1Å; K114-T117 PolarHBondContact O-N 3.36Å; K114-T117 PolarHBondContact O-OG1 3.23Å; K114-E118 VanDerWaalsContact CD-OE1 3.25Å; K114-E118 WeakPolarHBondContact CD-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 IonicContact NZ-OE1 2.68Å; K114-E118 PolarHBondContact NZ-OE1 2.84Å; K114-E118 WeakPolarHBondContact O-CB 3.36Å; K114-E118 PolarHBondContact O-N 3.16Å; K114-F126 HydrophobicContact CB-CE1 4.11Å; K114-F126 HydrophobicContact CB-CZ 4.42Å; K114-F126 HydrophobicContact CD-CE1 4.32Å; K114-F126 HydrophobicContact CD-CZ 3.95Å; K114-H130 WeakPolarHBondContact CE-CE1 3.39Å; K114-H130 VanDerWaalsContact CE-ND1 3.35Å; K114-H130 WeakPolarHBondContact CE-ND1 2.99Å; K114-H130 PolarHBondContact NZ-ND1 3.08Å; K114-H130 VanDerWaalsContact NZ-ND1 3.18Å |
| 115 | L | 95.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 85.1 Ų | 85.1 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 173.7 | -77.5 | -174.1 | 0 | 0 | 0 | 112.2 | L111 M112 T119 P120 P123 F126 L127 | L111-L115 PolarHBondContact O-N 3Å; M112-L115 PolarHBondContact O-N 3.32Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; L115-T119 WeakPolarHBondContact O-CA 3.35Å; L115-T119 PolarHBondContact O-N 3.33Å; L115-T119 VanDerWaalsContact O-N 3.16Å; L115-P120 HydrophobicContact CD2-CG 4.01Å; L115-P123 HydrophobicContact CD2-CB 3.44Å; L115-P123 VanDerWaalsContact CD2-CB 3.44Å; L115-F126 HydrophobicContact CD2-CD1 4.14Å; L115-L127 HydrophobicContact CD1-CD1 3.9Å; L115-L127 HydrophobicContact CD2-CD1 4.06Å; L115-L127 HydrophobicContact CD2-CD2 4.1Å; L115-L127 HydrophobicContact CD2-CG 3.84Å; L115-L127 HydrophobicContact CG-CD1 4.08Å; L115-L127 HydrophobicContact CG-CD2 4.01Å; L115-L127 HydrophobicContact CG-CG 4.14Å |
| 116 | I | 93.2 | Very high | 92.5 | Very high | 122 Ų | 122 | 85.1 Ų | 85.1 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74 | -35.2 | -177.8 | -65.8 | 163 | 0 | 0 | 0 | 111.4 | M112 T113 K114 T119 | M112-I116 WeakPolarHBondContact O-CD1 3.48Å; M112-I116 VanDerWaalsContact O-CG1 3.3Å; M112-I116 WeakPolarHBondContact O-CG1 3.37Å; M112-I116 PolarHBondContact O-N 2.83Å; T113-I116 PolarHBondContact O-N 3.27Å; T113-I116 VanDerWaalsContact O-N 3.17Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.1Å; I116-T119 WeakPolarHBondContact O-CG2 3.49Å |
| 117 | T | 92.5 | Very high | 92.5 | Very high | 95 Ų | 95 | 83 Ų | 83 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -85.9 | -36.1 | -177.7 | 56 | 0 | 0 | 0 | 0 | 114.4 | T113 K114 | T113-T117 HydrophobicContact CG2-CG2 4.17Å; T113-T117 WeakPolarHBondContact O-CG2 3.5Å; T113-T117 PolarHBondContact O-N 3.35Å; T113-T117 PolarHBondContact O-OG1 3.08Å; T113-T117 VanDerWaalsContact O-OG1 3.07Å; K114-T117 PolarHBondContact O-N 3.36Å; K114-T117 PolarHBondContact O-OG1 3.23Å |
| 118 | E | 89.6 | Confident | 92.4 | Very high | 95 Ų | 95 | 83.7 Ų | 83.7 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -96.9 | -8.5 | -176.8 | -61.3 | -171.9 | -133.1 | 0 | 0 | 112.5 | K114 P120 F126 | K114-E118 VanDerWaalsContact CD-OE1 3.25Å; K114-E118 WeakPolarHBondContact CD-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 IonicContact NZ-OE1 2.68Å; K114-E118 PolarHBondContact NZ-OE1 2.84Å; K114-E118 WeakPolarHBondContact O-CB 3.36Å; K114-E118 PolarHBondContact O-N 3.16Å; E118-P120 VanDerWaalsContact C-CD 3.45Å; E118-P120 VanDerWaalsContact C-N 3.34Å; E118-P120 VanDerWaalsContact O-N 3.11Å; E118-F126 HydrophobicContact CB-CE2 4.18Å; E118-F126 HydrophobicContact CB-CZ 3.78Å; E118-F126 VanDerWaalsContact CD-CZ 3.46Å; E118-F126 HydrophobicContact CG-CZ 4.08Å; E118-F126 VanDerWaalsContact OE2-CE2 3.25Å; E118-F126 WeakPolarHBondContact OE2-CE2 3.42Å; E118-F126 WeakPolarHBondContact OE2-CZ 3.39Å |
| 119 | T | 91.2 | Very high | 92.3 | Very high | 106 Ų | 106 | 82.6 Ų | 82.6 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | trans | 33.2 | 56.7 | 177 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | L115 I116 | L115-T119 WeakPolarHBondContact O-CA 3.35Å; L115-T119 PolarHBondContact O-N 3.33Å; L115-T119 VanDerWaalsContact O-N 3.16Å; I116-T119 WeakPolarHBondContact O-CG2 3.49Å | ||
| 120 | P | 89.3 | Confident | 92.1 | Very high | 32 Ų | 32 | 77 Ų | 77 | 21% | 0.208 | 41% | 0.411 | C | S | . | . | trans | -72.4 | 137 | -172.7 | 30.7 | -38 | 0 | 0 | 0 | 112 | L115 E118 Q122 P123 F126 | L115-P120 HydrophobicContact CD2-CG 4.01Å; E118-P120 VanDerWaalsContact C-CD 3.45Å; E118-P120 VanDerWaalsContact C-N 3.34Å; E118-P120 VanDerWaalsContact O-N 3.11Å; P120-Q122 PolarHBondContact O-N 3.39Å; P120-P123 HydrophobicContact CG-CB 4.32Å; P120-F126 HydrophobicContact CB-CB 3.92Å; P120-F126 HydrophobicContact CB-CD1 4.33Å; P120-F126 HydrophobicContact CB-CD2 4.23Å; P120-F126 HydrophobicContact CB-CG 3.9Å; P120-F126 HydrophobicContact CG-CB 3.96Å; P120-F126 HydrophobicContact CG-CD1 3.68Å; P120-F126 HydrophobicContact CG-CD2 4.43Å; P120-F126 HydrophobicContact CG-CE1 4.24Å; P120-F126 HydrophobicContact CG-CG 3.76Å | ||
| 121 | D | 88.1 | Confident | 92 | Very high | 169 Ų | 169 | 77.5 Ų | 77.5 | 90% | 0.904 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -54.4 | -28.3 | 173.6 | -57.3 | -41 | 0 | 0 | 0 | 112.9 | ||
| 122 | Q | 91.9 | Very high | 91.6 | Very high | 135 Ų | 135 | 81.7 Ų | 81.7 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -126.3 | 89.1 | 176.6 | -63.1 | -166.3 | -5 | 0 | 0 | 110.5 | P120 I124 P125 F126 | P120-Q122 PolarHBondContact O-N 3.39Å; Q122-I124 PolarHBondContact O-N 3.31Å; Q122-P125 HydrophobicContact CB-CG 4.02Å; Q122-P125 WeakPolarHBondContact O-CD 3.24Å; Q122-F126 WeakPolarHBondContact O-CB 3.41Å; Q122-F126 PolarHBondContact O-N 3.4Å |
| 123 | P | 90.2 | Very high | 91.2 | Very high | 58 Ų | 58 | 81.7 Ų | 81.7 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -33.9 | -173.1 | 25 | -34.7 | 0 | 0 | 0 | 113.5 | L115 P120 L127 | L115-P123 HydrophobicContact CD2-CB 3.44Å; L115-P123 VanDerWaalsContact CD2-CB 3.44Å; P120-P123 HydrophobicContact CG-CB 4.32Å; P123-L127 WeakPolarHBondContact O-CB 3.39Å; P123-L127 VanDerWaalsContact O-CG 3.27Å; P123-L127 WeakPolarHBondContact O-CG 3.41Å; P123-L127 PolarHBondContact O-N 2.99Å |
| 124 | I | 92.6 | Very high | 90.4 | Very high | 124 Ų | 124 | 84 Ų | 84 | 64% | 0.636 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70 | -52.9 | -177.1 | -63.1 | 169.8 | 0 | 0 | 0 | 111.8 | Q122 F126 L127 I128 | Q122-I124 PolarHBondContact O-N 3.31Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.35Å; I124-L127 PolarHBondContact O-N 2.99Å; I124-I128 HydrophobicContact CG2-CD1 3.91Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 2.93Å; I124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | P | 94.1 | Very high | 89.3 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 173.7 | -26.9 | 36.1 | 0 | 0 | 0 | 113.4 | Q122 I128 D129 | Q122-P125 HydrophobicContact CB-CG 4.02Å; Q122-P125 WeakPolarHBondContact O-CD 3.24Å; P125-I128 WeakPolarHBondContact O-CB 3.35Å; P125-I128 PolarHBondContact O-N 3.22Å; P125-D129 PolarHBondContact O-N 3.03Å |
| 126 | F | 92.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 85.8 Ų | 85.8 | 18% | 0.184 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 177.6 | 169.7 | -96.4 | 0 | 0 | 0 | 112.5 | K114 L115 E118 P120 Q122 I124 I128 D129 H130 | K114-F126 HydrophobicContact CB-CE1 4.11Å; K114-F126 HydrophobicContact CB-CZ 4.42Å; K114-F126 HydrophobicContact CD-CE1 4.32Å; K114-F126 HydrophobicContact CD-CZ 3.95Å; L115-F126 HydrophobicContact CD2-CD1 4.14Å; E118-F126 HydrophobicContact CB-CE2 4.18Å; E118-F126 HydrophobicContact CB-CZ 3.78Å; E118-F126 VanDerWaalsContact CD-CZ 3.46Å; E118-F126 HydrophobicContact CG-CZ 4.08Å; E118-F126 VanDerWaalsContact OE2-CE2 3.25Å; E118-F126 WeakPolarHBondContact OE2-CE2 3.42Å; E118-F126 WeakPolarHBondContact OE2-CZ 3.39Å; P120-F126 HydrophobicContact CB-CB 3.92Å; P120-F126 HydrophobicContact CB-CD1 4.33Å; P120-F126 HydrophobicContact CB-CD2 4.23Å; P120-F126 HydrophobicContact CB-CG 3.9Å; P120-F126 HydrophobicContact CG-CB 3.96Å; P120-F126 HydrophobicContact CG-CD1 3.68Å; P120-F126 HydrophobicContact CG-CD2 4.43Å; P120-F126 HydrophobicContact CG-CE1 4.24Å; P120-F126 HydrophobicContact CG-CG 3.76Å; Q122-F126 WeakPolarHBondContact O-CB 3.41Å; Q122-F126 PolarHBondContact O-N 3.4Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.35Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 PolarHBondContact O-N 2.91Å; F126-D129 PolarHBondContact O-N 3.35Å; F126-H130 WeakPolarHBondContact O-CB 3.23Å; F126-H130 PolarHBondContact O-N 3.35Å |
| 127 | L | 93.1 | Very high | 85.2 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 19% | 0.194 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 175.7 | -75.2 | 179.2 | 0 | 0 | 0 | 112.7 | L111 L115 P123 I124 L131 | L111-L127 HydrophobicContact CB-CD2 3.79Å; L111-L127 HydrophobicContact CD2-CD2 3.57Å; L111-L127 HydrophobicContact CG-CD2 4.21Å; L115-L127 HydrophobicContact CD1-CD1 3.9Å; L115-L127 HydrophobicContact CD2-CD1 4.06Å; L115-L127 HydrophobicContact CD2-CD2 4.1Å; L115-L127 HydrophobicContact CD2-CG 3.84Å; L115-L127 HydrophobicContact CG-CD1 4.08Å; L115-L127 HydrophobicContact CG-CD2 4.01Å; L115-L127 HydrophobicContact CG-CG 4.14Å; P123-L127 WeakPolarHBondContact O-CB 3.39Å; P123-L127 VanDerWaalsContact O-CG 3.27Å; P123-L127 WeakPolarHBondContact O-CG 3.41Å; P123-L127 PolarHBondContact O-N 2.99Å; I124-L127 PolarHBondContact O-N 2.99Å; L127-L131 VanDerWaalsContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.41Å |
| 128 | I | 91.7 | Very high | 83.1 | Confident | 84 Ų | 84 | 93 Ų | 93 | 43% | 0.431 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 176.5 | -69.3 | 165.2 | 0 | 0 | 0 | 110.4 | I124 P125 F126 L131 Q132 | I124-I128 HydrophobicContact CG2-CD1 3.91Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 2.93Å; I124-I128 VanDerWaalsContact O-N 3.08Å; P125-I128 WeakPolarHBondContact O-CB 3.35Å; P125-I128 PolarHBondContact O-N 3.22Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 PolarHBondContact O-N 2.91Å; I128-L131 PolarHBondContact O-N 3.16Å; I128-Q132 WeakPolarHBondContact O-CB 3.38Å; I128-Q132 VanDerWaalsContact O-CG 3.26Å; I128-Q132 WeakPolarHBondContact O-CG 3.37Å; I128-Q132 PolarHBondContact O-N 2.76Å |
| 129 | D | 91.2 | Very high | 81.1 | Confident | 107 Ų | 107 | 91.6 Ų | 91.6 | 57% | 0.572 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 177.1 | -172.9 | 62.6 | 0 | 0 | 0 | 112.1 | P125 F126 L131 Q132 S133 | P125-D129 PolarHBondContact O-N 3.03Å; F126-D129 PolarHBondContact O-N 3.35Å; D129-L131 PolarHBondContact O-N 3.3Å; D129-Q132 PolarHBondContact O-N 2.95Å; D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 2.85Å |
| 130 | H | 90.4 | Very high | 79.2 | Confident | 14 Ų | 14 | 92.4 Ų | 92.4 | 7% | 0.065 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.1 | -174.9 | 65.6 | 0 | 0 | 0 | 112.4 | E110 K114 F126 S133 K134 | E110-H130 IonicContact OE1-CD2 3.93Å; E110-H130 IonicContact OE1-CE1 3.38Å; E110-H130 PolarHBondContact OE1-CE1 3.19Å; E110-H130 IonicContact OE1-NE2 2.73Å; E110-H130 PolarHBondContact OE1-NE2 3.16Å; K114-H130 WeakPolarHBondContact CE-CE1 3.39Å; K114-H130 VanDerWaalsContact CE-ND1 3.35Å; K114-H130 WeakPolarHBondContact CE-ND1 2.99Å; K114-H130 PolarHBondContact NZ-ND1 3.08Å; K114-H130 VanDerWaalsContact NZ-ND1 3.18Å; F126-H130 WeakPolarHBondContact O-CB 3.23Å; F126-H130 PolarHBondContact O-N 3.35Å; H130-S133 WeakPolarHBondContact CA-OG 3.47Å; H130-S133 PolarHBondContact O-OG 2.84Å; H130-K134 VanDerWaalsContact O-CB 3.24Å; H130-K134 WeakPolarHBondContact O-CB 3.07Å; H130-K134 WeakPolarHBondContact O-CG 3.44Å; H130-K134 PolarHBondContact O-N 3.24Å |
| 131 | L | 91.2 | Very high | 77.1 | Confident | 68 Ų | 68 | 96.1 Ų | 96.1 | 36% | 0.356 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 174.8 | -78 | 170 | 0 | 0 | 0 | 113.2 | L111 L127 I128 D129 Q135 | L111-L131 HydrophobicContact CD1-CD1 4.37Å; L111-L131 HydrophobicContact CD1-CD2 4.18Å; L111-L131 HydrophobicContact CD2-CD1 4.25Å; L111-L131 HydrophobicContact CD2-CD2 3.86Å; L111-L131 HydrophobicContact CD2-CG 3.74Å; L127-L131 VanDerWaalsContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.41Å; I128-L131 PolarHBondContact O-N 3.16Å; D129-L131 PolarHBondContact O-N 3.3Å; L131-Q135 WeakPolarHBondContact O-CB 3.31Å; L131-Q135 PolarHBondContact O-N 3.18Å; L131-Q135 VanDerWaalsContact O-N 3.16Å |
| 132 | Q | 86.3 | Confident | 75.3 | Confident | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.3 | -43.1 | 177.1 | -73.8 | 179.1 | 24.4 | 0 | 0 | 111.7 | I128 D129 Q135 | I128-Q132 WeakPolarHBondContact O-CB 3.38Å; I128-Q132 VanDerWaalsContact O-CG 3.26Å; I128-Q132 WeakPolarHBondContact O-CG 3.37Å; I128-Q132 PolarHBondContact O-N 2.76Å; D129-Q132 PolarHBondContact O-N 2.95Å; Q132-Q135 WeakPolarHBondContact O-CB 3.39Å; Q132-Q135 PolarHBondContact O-N 2.68Å |
| 133 | S | 85.9 | Confident | 73.3 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | D129 H130 Q135 G136 | D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 2.85Å; H130-S133 WeakPolarHBondContact CA-OG 3.47Å; H130-S133 PolarHBondContact O-OG 2.84Å; S133-Q135 PolarHBondContact O-N 3.46Å; S133-G136 PolarHBondContact O-N 3.46Å |
| 134 | K | 76.9 | Confident | 70.9 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -26.8 | 169.6 | -84.6 | -90.3 | 169.5 | 146.6 | 0 | 113.9 | E110 H130 G136 | E110-K134 WeakPolarHBondContact OE1-CE 3.27Å; E110-K134 IonicContact OE1-NZ 2.77Å; E110-K134 PolarHBondContact OE1-NZ 3.45Å; E110-K134 IonicContact OE2-NZ 2.69Å; E110-K134 PolarHBondContact OE2-NZ 3.38Å; H130-K134 VanDerWaalsContact O-CB 3.24Å; H130-K134 WeakPolarHBondContact O-CB 3.07Å; H130-K134 WeakPolarHBondContact O-CG 3.44Å; H130-K134 PolarHBondContact O-N 3.24Å; K134-G136 PolarHBondContact O-N 2.95Å |
| 135 | Q | 68.7 | Low | 68.7 | Low | 80 Ų | 80 | 101.4 Ų | 101.4 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 3.5 | 172.9 | -92.6 | -169.9 | 75.1 | 0 | 0 | 114.8 | L131 Q132 S133 N137 R138 | L131-Q135 WeakPolarHBondContact O-CB 3.31Å; L131-Q135 PolarHBondContact O-N 3.18Å; L131-Q135 VanDerWaalsContact O-N 3.16Å; Q132-Q135 WeakPolarHBondContact O-CB 3.39Å; Q132-Q135 PolarHBondContact O-N 2.68Å; S133-Q135 PolarHBondContact O-N 3.46Å; Q135-N137 PolarHBondContact O-N 3.41Å; Q135-R138 PolarHBondContact O-N 3.07Å; Q135-R138 VanDerWaalsContact O-N 3.08Å |
| 136 | G | 52 | Low | 66.6 | Low | 55 Ų | 55 | 103.6 Ų | 103.6 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31.4 | 85.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S133 K134 R138 | S133-G136 PolarHBondContact O-N 3.46Å; K134-G136 PolarHBondContact O-N 2.95Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.4Å |
| 137 | N | 49.3 | Very low | 64.2 | Low | 175 Ų | 175 | 103.8 Ų | 103.8 | 94% | 0.936 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.3 | 22.7 | 177.5 | -69.2 | -36.6 | 0 | 0 | 0 | 116.9 | Q135 G139 | Q135-N137 PolarHBondContact O-N 3.41Å; N137-G139 PolarHBondContact O-N 3.36Å |
| 138 | R | 48.4 | Very low | 62.1 | Low | 192 Ų | 192 | 107.2 Ų | 107.2 | 73% | 0.725 | 59% | 0.588 | S | S | * | * | trans | -76.6 | 70.3 | 150.8 | -79.4 | -166 | 165.3 | -162.7 | -3 | 111.6 | Q135 G136 Q140 | Q135-R138 PolarHBondContact O-N 3.07Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.4Å; R138-Q140 PolarHBondContact O-N 3.02Å | ||
| 139 | G | 48.6 | Very low | 60 | Low | 67 Ų | 67 | 107 Ų | 107 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 36.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N137 | N137-G139 PolarHBondContact O-N 3.36Š|
| 140 | Q | 51.2 | Low | 57.9 | Low | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.6 | 26.3 | -173 | -155.5 | 174.6 | -10.3 | 0 | 0 | 113 | R138 R143 | R138-Q140 PolarHBondContact O-N 3.02Å; Q140-R143 HydrophobicContact CG-CB 4.44Å |
| 141 | L | 44.9 | Very low | 55.8 | Low | 111 Ų | 111 | 110.2 Ų | 110.2 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -76.7 | -6.9 | 149.2 | -66.9 | -179 | 0 | 0 | 0 | 111.8 | ||
| 142 | Q | 50.2 | Low | 53.7 | Low | 167 Ų | 167 | 117.8 Ų | 117.8 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -102.8 | 60.7 | 168.7 | -73.2 | -70.2 | -4.9 | 0 | 0 | 111.9 | ||
| 143 | R | 50 | Low | 51.8 | Low | 170 Ų | 170 | 116.3 Ų | 116.3 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -171 | -7.1 | 155.7 | -121.6 | 161.4 | -68.3 | 144.6 | 3 | 119.6 | Q140 L145 S146 | Q140-R143 HydrophobicContact CG-CB 4.44Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 2.88Å; R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.45Å |
| 144 | T | 40.6 | Very low | 49.3 | Very low | 115 Ų | 115 | 121 Ų | 121 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -1 | -178.6 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 145 | L | 45.2 | Very low | 47.4 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 33.1 | 162.9 | -64.5 | 179.7 | 0 | 0 | 0 | 112.7 | R143 G147 A150 | R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 2.88Å; L145-G147 PolarHBondContact O-N 2.75Å; L145-A150 WeakPolarHBondContact O-CB 3.17Å |
| 146 | S | 50.9 | Low | 45.6 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | trans | -74.4 | 55.6 | 167.7 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | R143 | R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.45Å | ||
| 147 | G | 41 | Very low | 44.7 | Very low | 46 Ų | 46 | 129.6 Ų | 129.6 | 47% | 0.474 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -127 | 154.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | L145 A149 A150 | L145-G147 PolarHBondContact O-N 2.75Å; G147-A149 PolarHBondContact O-N 3.1Å; G147-A150 PolarHBondContact O-N 3.44Å; G147-A150 VanDerWaalsContact O-N 3.16Å |
| 148 | S | 49.1 | Very low | 43.9 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 2.5 | -162.8 | -42.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 149 | A | 47.7 | Very low | 43.1 | Very low | 80 Ų | 80 | 127 Ų | 127 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -26.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G147 L151 W152 | G147-A149 PolarHBondContact O-N 3.1Å; A149-L151 PolarHBondContact O-N 2.89Å; A149-W152 PolarHBondContact O-N 3.3Å |
| 150 | A | 46.3 | Very low | 42.1 | Very low | 46 Ų | 46 | 129.2 Ų | 129.2 | 38% | 0.38 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -65.4 | -24.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L145 G147 W152 A153 | L145-A150 WeakPolarHBondContact O-CB 3.17Å; G147-A150 PolarHBondContact O-N 3.44Å; G147-A150 VanDerWaalsContact O-N 3.16Å; A150-W152 PolarHBondContact O-N 3.38Å; A150-W152 VanDerWaalsContact O-N 3.1Å; A150-A153 PolarHBondContact O-N 3.28Å |
| 151 | L | 46.5 | Very low | 41.3 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -69.3 | -4 | -179.5 | -64.5 | 175.9 | 0 | 0 | 0 | 114.7 | A149 | A149-L151 PolarHBondContact O-N 2.89Š|
| 152 | W | 48.7 | Very low | 40.8 | Very low | 226 Ų | 226 | 132.1 Ų | 132.1 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -102.2 | -2 | 177.7 | -56.4 | 93.1 | 0 | 0 | 0 | 113.4 | A149 A150 | A149-W152 PolarHBondContact O-N 3.3Å; A150-W152 PolarHBondContact O-N 3.38Å; A150-W152 VanDerWaalsContact O-N 3.1Å |
| 153 | A | 45.3 | Very low | 40.3 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.3 | -3.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A150 | A150-A153 PolarHBondContact O-N 3.28Š|
| 154 | E | 34.1 | Very low | 39.5 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -90.9 | 104.8 | 168.2 | -81.3 | -177.7 | 124.4 | 0 | 0 | 109.9 | ||||
| 155 | S | 36.1 | Very low | 39.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -142.8 | 109.6 | 163.6 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 156 | E | 32.1 | Very low | 39 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 75.4 | 145 | -54.2 | -174.8 | 165.8 | 0 | 0 | 118.6 | ||||
| 157 | T | 32.4 | Very low | 38.3 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | trans | -101.1 | 83.8 | 143.5 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 158 | S | 33.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -171.7 | 123 | 149 | 33.7 | 0 | 0 | 0 | 0 | 111.5 | S160 | S158-S160 PolarHBondContact O-N 2.76Š| ||
| 159 | E | 31.6 | Very low | 38.3 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 95% | 0.953 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 125 | 167.7 | -75 | -180 | 77.2 | 0 | 0 | 110.5 | ||||
| 160 | S | 26.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -141.6 | 120.3 | 150.8 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | S158 G162 | S158-S160 PolarHBondContact O-N 2.76Å; S160-G162 PolarHBondContact O-N 2.92Å; S160-G162 VanDerWaalsContact O-N 3.16Å | ||
| 161 | K | 35.1 | Very low | 37.5 | Very low | 223 Ų | 223 | 156.9 Ų | 156.9 | 97% | 0.97 | 80% | 0.801 | S | S | * | * | trans | -47.2 | 106.7 | 177.2 | -179.4 | 177.8 | -175.5 | 170.3 | 0 | 113 | ||||
| 162 | G | 33.8 | Very low | 38.2 | Very low | 70 Ų | 70 | 155.5 Ų | 155.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -159 | 94.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S160 | S160-G162 PolarHBondContact O-N 2.92Å; S160-G162 VanDerWaalsContact O-N 3.16Å | ||
| 163 | T | 39.7 | Very low | 38.3 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -59.4 | 145.4 | 166.4 | -42 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 164 | R | 33.7 | Very low | 38.6 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 128.6 | 105.5 | 134.2 | -157.4 | -156.7 | -170.2 | -152.3 | 8.1 | 116.3 | ||||
| 165 | R | 36.3 | Very low | 39.4 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 95.4 | 114.7 | 157.4 | -49.9 | -153.7 | -169.1 | 134.7 | -7.9 | 119.2 | ||||
| 166 | D | 39.6 | Very low | 39.9 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -56.4 | -174.4 | 149.2 | -56.1 | -83.1 | 0 | 0 | 0 | 114.7 | ||||
| 167 | F | 36.6 | Very low | 40.2 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 90.5 | 59.5 | 173.2 | -51.9 | -69.8 | 0 | 0 | 0 | 117 | ||||
| 168 | R | 44.5 | Very low | 40.9 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -122.5 | 58.1 | 138.8 | -69.8 | -163.1 | -178.4 | -79.8 | 2.2 | 111.9 | Y170 | R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 PolarHBondContact O-N 3.37Å | ||
| 169 | S | 44 | Very low | 41.5 | Very low | 115 Ų | 115 | 155 Ų | 155 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -67.2 | 97 | 157.9 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | D171 | S169-D171 PolarHBondContact O-N 2.99Š| ||
| 170 | Y | 35.7 | Very low | 42.5 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | trans | -74.7 | 117 | 164.7 | -95.9 | -85.9 | 0 | 0 | 0 | 107.6 | R168 K172 | R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 PolarHBondContact O-N 3.37Å; Y170-K172 PolarHBondContact O-N 3Å | ||
| 171 | D | 42.8 | Very low | 43.3 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -56.4 | 131.7 | 169.1 | -170.7 | 6.6 | 0 | 0 | 0 | 109.3 | S169 P173 | S169-D171 PolarHBondContact O-N 2.99Å; D171-P173 VanDerWaalsContact C-CD 3.48Å; D171-P173 WeakPolarHBondContact O-CD 3.5Å | ||
| 172 | K | 59.8 | Low | 43.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 49% | 0.491 | 76% | 0.76 | S | S | . | * | trans | -107.5 | 79.8 | -174.8 | -67.8 | -177.9 | -177.3 | 173.5 | 0 | 108.8 | Y170 W174 Q175 | Y170-K172 PolarHBondContact O-N 3Å; K172-W174 HydrophobicContact CB-CD2 4.3Å; K172-W174 HydrophobicContact CB-CH2 4.41Å; K172-W174 HydrophobicContact CB-CZ2 3.88Å; K172-W174 HydrophobicContact CD-CZ2 4.15Å; K172-W174 HydrophobicContact CG-CH2 4.25Å; K172-W174 HydrophobicContact CG-CZ2 3.69Å; K172-W174 PolarHBondContact O-N 3.32Å; K172-Q175 HydrophobicContact CB-CG 4.25Å; K172-Q175 PolarHBondContact O-N 3.32Å | ||
| 173 | P | 52.1 | Low | 44.2 | Very low | 93 Ų | 93 | 161 Ų | 161 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -62.6 | -12.2 | -170.5 | 24.7 | -36.2 | 0 | 0 | 0 | 114.5 | D171 | D171-P173 VanDerWaalsContact C-CD 3.48Å; D171-P173 WeakPolarHBondContact O-CD 3.5Å |
| 174 | W | 51.7 | Low | 43.9 | Very low | 196 Ų | 196 | 159.5 Ų | 159.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -79.3 | -9 | 175.4 | 54.1 | 86.5 | 0 | 0 | 0 | 114.8 | K172 L176 | K172-W174 HydrophobicContact CB-CD2 4.3Å; K172-W174 HydrophobicContact CB-CH2 4.41Å; K172-W174 HydrophobicContact CB-CZ2 3.88Å; K172-W174 HydrophobicContact CD-CZ2 4.15Å; K172-W174 HydrophobicContact CG-CH2 4.25Å; K172-W174 HydrophobicContact CG-CZ2 3.69Å; K172-W174 PolarHBondContact O-N 3.32Å; W174-L176 VanDerWaalsContact C-N 3.34Å |
| 175 | Q | 51 | Low | 44.3 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -83.4 | -5 | 178 | -65.8 | -161.6 | -85.6 | 0 | 0 | 114.4 | K172 N177 | K172-Q175 HydrophobicContact CB-CG 4.25Å; K172-Q175 PolarHBondContact O-N 3.32Å; Q175-N177 PolarHBondContact O-N 2.83Å; Q175-N177 VanDerWaalsContact O-N 3.1Å |
| 176 | L | 45.1 | Very low | 44.9 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -81.1 | 88.8 | 169.1 | -67.2 | -179 | 0 | 0 | 0 | 110.7 | W174 A178 | W174-L176 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.93Å |
| 177 | N | 39.4 | Very low | 44.8 | Very low | 148 Ų | 148 | 156 Ų | 156 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -49.1 | 126.2 | 173.9 | -93 | -71 | 0 | 0 | 0 | 112.4 | Q175 K179 | Q175-N177 PolarHBondContact O-N 2.83Å; Q175-N177 VanDerWaalsContact O-N 3.1Å; N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 3.24Å | ||
| 178 | A | 46.3 | Very low | 44.7 | Very low | 97 Ų | 97 | 154.4 Ų | 154.4 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -74 | 69.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | L176 K180 | L176-A178 PolarHBondContact O-N 2.93Å; A178-K180 PolarHBondContact O-N 2.73Å | ||
| 179 | K | 46.5 | Very low | 44.4 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -68.6 | 100 | 165.5 | -76.2 | -169.5 | 175.8 | -179.9 | 0 | 109.3 | N177 | N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 3.24Å | ||
| 180 | K | 53.1 | Low | 43.9 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -54.2 | 123.8 | 174.4 | -61.3 | 169.4 | -175.8 | 168.6 | 0 | 109.8 | A178 K182 | A178-K180 PolarHBondContact O-N 2.73Å; K180-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact O-N 3.17Å | ||
| 181 | P | 43.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -67.8 | 115.9 | 170 | 26.3 | -31.5 | 0 | 0 | 0 | 109.3 | ||||
| 182 | K | 41 | Very low | 43.7 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 137.3 | 168.6 | -76.8 | -177.5 | 177.3 | 177.4 | 0 | 108.5 | K180 S184 | K180-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact O-N 3.17Å; K182-S184 PolarHBondContact O-N 2.76Å; K182-S184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | K | 46.4 | Very low | 42.5 | Very low | 218 Ų | 218 | 149 Ų | 149 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 107.7 | 176.9 | -62.5 | 180 | -178 | 178.1 | 0 | 109.1 | ||||
| 184 | S | 34 | Very low | 41.6 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -112.8 | 134.8 | 157.9 | -166.3 | 0 | 0 | 0 | 0 | 108.5 | K182 | K182-S184 PolarHBondContact O-N 2.76Å; K182-S184 VanDerWaalsContact O-N 3.08Å | ||
| 185 | K | 41.4 | Very low | 41.6 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -130 | 138.6 | -178.3 | 172.6 | -175 | 169.3 | 69.3 | 0 | 106.5 | ||||
| 186 | S | 48.9 | Very low | 41.3 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 80.8 | 145.8 | -168.3 | 88.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 187 | D | 36.4 | Very low | 40.5 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | cis | -142.1 | 167.5 | 0.3 | -134.5 | -26.6 | 0 | 0 | 0 | 115.7 | ||||
| 188 | L | 36.3 | Very low | 40.3 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -71.5 | 125.9 | -176.9 | 176.7 | 77.3 | 0 | 0 | 0 | 113.3 | ||||
| 189 | A | 36.9 | Very low | 39.5 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -163.6 | 110.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 190 | V | 34.4 | Very low | 39.1 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 35.7 | 111.2 | 132.5 | -167.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 191 | S | 32.3 | Very low | 38.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | -170.8 | 120 | 112 | -79.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 192 | N | 41.4 | Very low | 38 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -139.1 | 167.2 | 159.4 | -97.7 | -82.9 | 0 | 0 | 0 | 106.2 | ||||
| 193 | I | 34.7 | Very low | 37.9 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 82.5 | 112.2 | -174.2 | -48.3 | 152.6 | 0 | 0 | 0 | 110.7 | ||||
| 194 | S | 33.2 | Very low | 37.6 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | cis | -150.7 | 173.3 | 9.5 | -47 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 195 | P | 50.9 | Low | 37.8 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -124 | 156.9 | 136.7 | 38.1 | -30.3 | 0 | 0 | 0 | 111.4 | ||||
| 196 | P | 44.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -153.3 | 179.7 | 99.7 | 39.9 | -22.1 | 0 | 0 | 0 | 116.1 | |||||
| 197 | S | 28.4 | Very low | 37.3 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 76.8 | 137.5 | 167.7 | -129.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 198 | T | 36.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | cis | -163.4 | 149.3 | -11.7 | 3.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 199 | D | 29.7 | Very low | 37.5 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 58.8 | 131.6 | 175.9 | -68.3 | -62.5 | 0 | 0 | 0 | 116.3 | ||||
| 200 | S | 37.9 | Very low | 38 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | cis | -153.8 | 167.9 | 39 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 201 | K | 38.7 | Very low | 38.4 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -63.9 | 128.9 | -168.6 | -65.1 | 162.7 | 177.5 | 165.9 | 0 | 115.8 | ||||
| 202 | S | 33.5 | Very low | 39.3 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | -159.6 | 149 | 127.8 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 203 | L | 39.3 | Very low | 40.1 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -86.2 | 149.5 | 174.4 | -80.9 | 162 | 0 | 0 | 0 | 109.7 | ||||
| 204 | P | 41.8 | Very low | 41 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -133.3 | 157.9 | 98 | 36.9 | -28.3 | 0 | 0 | 0 | 115.1 | S206 | P204-S206 PolarHBondContact O-N 3.41Š| |||
| 205 | R | 37.8 | Very low | 41.7 | Very low | 227 Ų | 227 | 149.5 Ų | 149.5 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -76.3 | 107.5 | -178.9 | 177 | -177.2 | -71.1 | 147.7 | -4.2 | 110.5 | V207 | R205-V207 PolarHBondContact O-N 2.92Š| ||
| 206 | S | 40.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -66.3 | 123.9 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | P204 E208 | P204-S206 PolarHBondContact O-N 3.41Å; S206-E208 PolarHBondContact O-N 2.73Å | ||
| 207 | V | 39.7 | Very low | 41.8 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 114.6 | 169.2 | 175.4 | 0 | 0 | 0 | 0 | 108.4 | R205 H209 | R205-V207 PolarHBondContact O-N 2.92Å; V207-H209 PolarHBondContact O-N 3.26Å | ||
| 208 | E | 36.8 | Very low | 42.7 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -53.4 | 114.4 | 173.4 | -167.7 | 95.7 | -163.4 | 0 | 0 | 110.3 | S206 P210 | S206-E208 PolarHBondContact O-N 2.73Å; E208-P210 WeakPolarHBondContact O-CD 3.37Å | ||
| 209 | H | 39 | Very low | 43.6 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 123.1 | 174.6 | -75.3 | -79.2 | 0 | 0 | 0 | 110 | V207 K211 | V207-H209 PolarHBondContact O-N 3.26Å; H209-K211 PolarHBondContact O-N 2.96Å | ||
| 210 | P | 48.9 | Very low | 44.7 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 121.9 | -179.7 | -23.9 | 34.6 | 0 | 0 | 0 | 111.9 | E208 W212 | E208-P210 WeakPolarHBondContact O-CD 3.37Å; P210-W212 PolarHBondContact O-N 3.35Å | ||
| 211 | K | 41.2 | Very low | 45.6 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -62.9 | 108.8 | 179 | -171.5 | 172.7 | -176.3 | 172.3 | 0 | 110.6 | H209 N213 | H209-K211 PolarHBondContact O-N 2.96Å; K211-N213 VanDerWaalsContact O-CG 3.3Å; K211-N213 PolarHBondContact O-N 3.39Å; K211-N213 VanDerWaalsContact O-N 3.14Å; K211-N213 PolarHBondContact O-ND2 3.04Å; K211-N213 PolarHBondContact O-OD1 3.41Å | ||
| 212 | W | 52.8 | Low | 46.7 | Very low | 227 Ų | 227 | 150.7 Ų | 150.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 110.4 | -177.7 | 179.6 | -98.2 | 0 | 0 | 0 | 112 | P210 | P210-W212 PolarHBondContact O-N 3.35Š| ||
| 213 | N | 57.2 | Low | 48.7 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 51% | 0.508 | 73% | 0.728 | S | S | . | * | trans | -105.8 | 93.1 | -177 | -64.5 | -39.4 | 0 | 0 | 0 | 110.5 | K211 R215 T216 | K211-N213 VanDerWaalsContact O-CG 3.3Å; K211-N213 PolarHBondContact O-N 3.39Å; K211-N213 VanDerWaalsContact O-N 3.14Å; K211-N213 PolarHBondContact O-ND2 3.04Å; K211-N213 PolarHBondContact O-OD1 3.41Å; N213-R215 PolarHBondContact O-N 2.92Å; N213-T216 PolarHBondContact O-N 2.86Å; N213-T216 PolarHBondContact O-OG1 3.17Å | ||
| 214 | W | 54.6 | Low | 50.6 | Low | 185 Ų | 185 | 149.5 Ų | 149.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -6.8 | 179 | 62 | -95.5 | 0 | 0 | 0 | 115.6 | ||
| 215 | R | 46.8 | Very low | 52.5 | Low | 195 Ų | 195 | 150.3 Ų | 150.3 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -3.8 | -175.1 | -130.9 | -175.5 | -63.1 | -123.6 | 8.7 | 114.6 | N213 | N213-R215 PolarHBondContact O-N 2.92Š|
| 216 | T | 47.2 | Very low | 54.5 | Low | 100 Ų | 100 | 144.3 Ų | 144.3 | 61% | 0.613 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -95.9 | 110.1 | 168.2 | 42.9 | 0 | 0 | 0 | 0 | 109.1 | N213 P218 | N213-T216 PolarHBondContact O-N 2.86Å; N213-T216 PolarHBondContact O-OG1 3.17Å; T216-P218 VanDerWaalsContact O-CD 3.29Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å |
| 217 | K | 49.3 | Very low | 56.6 | Low | 206 Ų | 206 | 143.2 Ų | 143.2 | 90% | 0.896 | 68% | 0.68 | S | S | * | * | trans | -53.7 | 121.4 | 176.2 | -84.2 | -175.6 | 172.4 | -176.9 | 0 | 110.6 | ||||
| 218 | P | 48.9 | Very low | 58.7 | Low | 99 Ų | 99 | 142.5 Ų | 142.5 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | trans | -68.7 | 136.1 | 155.6 | -9.2 | 26.5 | 0 | 0 | 0 | 108.1 | T216 S220 | T216-P218 VanDerWaalsContact O-CD 3.29Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 PolarHBondContact O-OG 3.41Å | ||
| 219 | Q | 54.6 | Low | 61.1 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 94% | 0.944 | 65% | 0.652 | S | S | * | * | trans | -73.1 | 63.8 | 165 | -172.6 | 85 | 22.8 | 0 | 0 | 108.5 | R221 | Q219-R221 PolarHBondContact O-N 3.31Š| ||
| 220 | S | 52.5 | Low | 63.5 | Low | 34 Ų | 34 | 135 Ų | 135 | 24% | 0.238 | 64% | 0.638 | C | S | . | * | trans | -79.7 | 99.5 | -173.8 | 35.8 | 0 | 0 | 0 | 0 | 110.2 | P218 D222 F223 | P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 PolarHBondContact O-OG 3.41Å; S220-D222 WeakPolarHBondContact CA-OD2 3.45Å; S220-D222 WeakPolarHBondContact CB-OD2 3.3Å; S220-D222 PolarHBondContact O-N 3.2Å; S220-D222 VanDerWaalsContact O-N 3.15Å; S220-F223 WeakPolarHBondContact OG-CD2 3.3Å | ||
| 221 | R | 57.8 | Low | 65.2 | Low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -13.6 | 169.7 | -160.4 | 170.2 | -179.1 | 164.1 | -2.9 | 112.2 | Q219 F223 D224 | Q219-R221 PolarHBondContact O-N 3.31Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.28Å; R221-D224 PolarHBondContact O-N 2.69Å |
| 222 | D | 61.4 | Low | 67.2 | Low | 113 Ų | 113 | 130 Ų | 130 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.7 | -23 | -173 | -32.7 | -55.7 | 0 | 0 | 0 | 113.1 | S220 | S220-D222 WeakPolarHBondContact CA-OD2 3.45Å; S220-D222 WeakPolarHBondContact CB-OD2 3.3Å; S220-D222 PolarHBondContact O-N 3.2Å; S220-D222 VanDerWaalsContact O-N 3.15Å |
| 223 | F | 74.6 | Confident | 68.5 | Low | 139 Ų | 139 | 122.1 Ų | 122.1 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.1 | -19.9 | 174.4 | -67.9 | -71.5 | 0 | 0 | 0 | 113.5 | S220 R221 N227 | S220-F223 WeakPolarHBondContact OG-CD2 3.3Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.28Å; F223-N227 VanDerWaalsContact O-CB 3.22Å; F223-N227 WeakPolarHBondContact O-CB 3.31Å; F223-N227 PolarHBondContact O-N 3.32Å |
| 224 | D | 79.8 | Confident | 70 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.5 | -38 | -179.5 | -68.7 | -39.1 | 0 | 0 | 0 | 111.1 | R221 N227 H228 | R221-D224 PolarHBondContact O-N 2.69Å; D224-N227 PolarHBondContact O-N 3.06Å; D224-H228 WeakPolarHBondContact O-CB 3.39Å; D224-H228 PolarHBondContact O-N 2.77Å |
| 225 | E | 81.1 | Confident | 71.7 | Confident | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.4 | -46.6 | 176 | -173.4 | 168.8 | -159.7 | 0 | 0 | 112 | N227 H228 I229 | E225-N227 VanDerWaalsContact C-N 3.31Å; E225-N227 PolarHBondContact O-N 3.33Å; E225-H228 VanDerWaalsContact O-CB 3.3Å; E225-H228 WeakPolarHBondContact O-CB 3.39Å; E225-H228 PolarHBondContact O-N 3.12Å; E225-H228 VanDerWaalsContact O-N 3.11Å; E225-I229 HydrophobicContact CG-CD1 4.18Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.43Å |
| 226 | L | 80.8 | Confident | 73.7 | Confident | 101 Ų | 101 | 118 Ų | 118 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -37.6 | 174.6 | -70.2 | 173.8 | 0 | 0 | 0 | 112.4 | L230 | L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.92Å |
| 227 | N | 83.3 | Confident | 75.6 | Confident | 84 Ų | 84 | 115.1 Ų | 115.1 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.9 | -34.2 | 174.9 | -167.4 | 13.7 | 0 | 0 | 0 | 111.7 | F223 D224 E225 L230 Q231 | F223-N227 VanDerWaalsContact O-CB 3.22Å; F223-N227 WeakPolarHBondContact O-CB 3.31Å; F223-N227 PolarHBondContact O-N 3.32Å; D224-N227 PolarHBondContact O-N 3.06Å; E225-N227 VanDerWaalsContact C-N 3.31Å; E225-N227 PolarHBondContact O-N 3.33Å; N227-L230 PolarHBondContact O-N 2.89Å; N227-Q231 WeakPolarHBondContact O-CG 3.46Å; N227-Q231 PolarHBondContact O-N 3.45Å |
| 228 | H | 85.3 | Confident | 77.6 | Confident | 105 Ų | 105 | 112.3 Ų | 112.3 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.6 | -53.6 | 171.5 | -164.4 | 78.1 | 0 | 0 | 0 | 110.7 | D224 E225 L230 Q231 E232 | D224-H228 WeakPolarHBondContact O-CB 3.39Å; D224-H228 PolarHBondContact O-N 2.77Å; E225-H228 VanDerWaalsContact O-CB 3.3Å; E225-H228 WeakPolarHBondContact O-CB 3.39Å; E225-H228 PolarHBondContact O-N 3.12Å; E225-H228 VanDerWaalsContact O-N 3.11Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 2.94Å; H228-Q231 CarbonylContact O-C 3.59Å; H228-Q231 WeakPolarHBondContact O-CA 3.5Å; H228-Q231 PolarHBondContact O-N 3.5Å; H228-E232 IonicContact CD2-OE2 3.26Å; H228-E232 PolarHBondContact CD2-OE2 2.92Å; H228-E232 VanDerWaalsContact CD2-OE2 3.26Å; H228-E232 IonicContact NE2-OE1 3.56Å; H228-E232 IonicContact NE2-OE2 3.59Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 3.37Å |
| 229 | I | 87.3 | Confident | 79.5 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 45% | 0.451 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 177.2 | -65.2 | 160.9 | 0 | 0 | 0 | 111.3 | E225 Q231 E232 S233 | E225-I229 HydrophobicContact CG-CD1 4.18Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.43Å; I229-Q231 VanDerWaalsContact C-N 3.28Å; I229-Q231 PolarHBondContact O-N 2.96Å; I229-E232 PolarHBondContact O-N 2.86Å; I229-S233 WeakPolarHBondContact O-CB 3.29Å; I229-S233 PolarHBondContact O-N 2.99Å; I229-S233 PolarHBondContact O-OG 2.85Å |
| 230 | L | 87.9 | Confident | 81.1 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -21.3 | 174.9 | -78.9 | 170.3 | 0 | 0 | 0 | 114.2 | L226 N227 H228 S233 K234 | L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.92Å; N227-L230 PolarHBondContact O-N 2.89Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 2.94Å; L230-S233 WeakPolarHBondContact CA-OG 3.43Å; L230-S233 PolarHBondContact O-OG 3.33Å; L230-K234 VanDerWaalsContact O-CD 3.26Å; L230-K234 WeakPolarHBondContact O-CD 3.3Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.35Å |
| 231 | Q | 84.7 | Confident | 82.7 | Confident | 105 Ų | 105 | 109.1 Ų | 109.1 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -89 | -34.8 | 171.2 | -72 | -162.1 | 38.9 | 0 | 0 | 112.6 | N227 H228 I229 K234 K235 | N227-Q231 WeakPolarHBondContact O-CG 3.46Å; N227-Q231 PolarHBondContact O-N 3.45Å; H228-Q231 CarbonylContact O-C 3.59Å; H228-Q231 WeakPolarHBondContact O-CA 3.5Å; H228-Q231 PolarHBondContact O-N 3.5Å; I229-Q231 VanDerWaalsContact C-N 3.28Å; I229-Q231 PolarHBondContact O-N 2.96Å; Q231-K234 PolarHBondContact O-N 2.94Å; Q231-K235 WeakPolarHBondContact O-CG 3.32Å; Q231-K235 PolarHBondContact O-N 3.07Å |
| 232 | E | 84.4 | Confident | 84.1 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 175.5 | -67.8 | -166 | 116.6 | 0 | 0 | 112.1 | H228 I229 K234 K235 L236 | H228-E232 IonicContact CD2-OE2 3.26Å; H228-E232 PolarHBondContact CD2-OE2 2.92Å; H228-E232 VanDerWaalsContact CD2-OE2 3.26Å; H228-E232 IonicContact NE2-OE1 3.56Å; H228-E232 IonicContact NE2-OE2 3.59Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 3.37Å; I229-E232 PolarHBondContact O-N 2.86Å; E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 3.26Å; E232-K235 WeakPolarHBondContact O-CA 3.45Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 2.88Å; E232-L236 PolarHBondContact O-N 3.03Å |
| 233 | S | 80.2 | Confident | 85.4 | Confident | 61 Ų | 61 | 103.5 Ų | 103.5 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.9 | -37.1 | 170.7 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | I229 L230 L236 G237 | I229-S233 WeakPolarHBondContact O-CB 3.29Å; I229-S233 PolarHBondContact O-N 2.99Å; I229-S233 PolarHBondContact O-OG 2.85Å; L230-S233 WeakPolarHBondContact CA-OG 3.43Å; L230-S233 PolarHBondContact O-OG 3.33Å; S233-L236 PolarHBondContact O-N 3.42Å; S233-G237 PolarHBondContact O-N 3.22Å |
| 234 | K | 87.9 | Confident | 85.9 | Confident | 139 Ų | 139 | 100.5 Ų | 100.5 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -31.1 | 172.2 | -73.6 | 171.8 | -172.2 | 169 | 0 | 113.5 | L230 Q231 E232 K238 | L230-K234 VanDerWaalsContact O-CD 3.26Å; L230-K234 WeakPolarHBondContact O-CD 3.3Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.35Å; Q231-K234 PolarHBondContact O-N 2.94Å; E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 3.26Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.93Å |
| 235 | K | 90.3 | Very high | 86 | Confident | 123 Ų | 123 | 101.4 Ų | 101.4 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71 | -44.7 | 172.3 | -68.1 | 167.9 | -169.9 | 169 | 0 | 110.5 | Q231 E232 K238 A239 | Q231-K235 WeakPolarHBondContact O-CG 3.32Å; Q231-K235 PolarHBondContact O-N 3.07Å; E232-K235 WeakPolarHBondContact O-CA 3.45Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 2.88Å; K235-K238 PolarHBondContact O-N 3.3Å; K235-A239 PolarHBondContact O-N 2.9Å |
| 236 | L | 88.3 | Confident | 85.9 | Confident | 127 Ų | 127 | 97.6 Ų | 97.6 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 176.5 | -173.6 | 69.3 | 0 | 0 | 0 | 111.4 | E232 S233 K238 A239 L240 | E232-L236 PolarHBondContact O-N 3.03Å; S233-L236 PolarHBondContact O-N 3.42Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.66Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3Å; L236-A239 VanDerWaalsContact O-N 3.12Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 2.84Å |
| 237 | G | 88.1 | Confident | 85.7 | Confident | 38 Ų | 38 | 97.1 Ų | 97.1 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.3 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S233 L240 E241 | S233-G237 PolarHBondContact O-N 3.22Å; G237-L240 PolarHBondContact O-N 3.41Å; G237-E241 WeakPolarHBondContact O-CB 3.45Å; G237-E241 PolarHBondContact O-N 3.03Å |
| 238 | K | 90.1 | Very high | 85.1 | Confident | 147 Ų | 147 | 96.1 Ų | 96.1 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -36.6 | 174.7 | -71.6 | 174.4 | -179.6 | -175.7 | 0 | 113.1 | K234 K235 L236 E241 N242 | K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.93Å; K235-K238 PolarHBondContact O-N 3.3Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.66Å; K238-E241 PolarHBondContact O-N 3.05Å; K238-N242 VanDerWaalsContact O-CB 3.31Å; K238-N242 WeakPolarHBondContact O-CB 3.34Å; K238-N242 PolarHBondContact O-N 3.29Å |
| 239 | A | 88.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K235 L236 N242 L243 | K235-A239 PolarHBondContact O-N 2.9Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3Å; L236-A239 VanDerWaalsContact O-N 3.12Å; A239-N242 PolarHBondContact O-N 2.93Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 3.16Å |
| 240 | L | 89.4 | Confident | 82.9 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 174.8 | -175.7 | 63.8 | 0 | 0 | 0 | 112 | L236 G237 N242 L243 S244 | L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 2.84Å; G237-L240 PolarHBondContact O-N 3.41Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 2.81Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-S244 VanDerWaalsContact O-CB 3.32Å; L240-S244 WeakPolarHBondContact O-CB 3.23Å; L240-S244 PolarHBondContact O-N 2.82Å |
| 241 | E | 85.3 | Confident | 81.5 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 175.9 | -154 | -165.8 | 157.2 | 0 | 0 | 112.1 | G237 K238 R245 | G237-E241 WeakPolarHBondContact O-CB 3.45Å; G237-E241 PolarHBondContact O-N 3.03Å; K238-E241 PolarHBondContact O-N 3.05Å; E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.16Å; E241-R245 IonicContact OE1-NH1 2.65Å; E241-R245 PolarHBondContact OE1-NH1 3.02Å; E241-R245 IonicContact OE1-NH2 2.78Å; E241-R245 PolarHBondContact OE1-NH2 2.71Å; E241-R245 IonicContact OE2-NH2 3.39Å; E241-R245 PolarHBondContact OE2-NH2 3.31Å |
| 242 | N | 88.5 | Confident | 80.2 | Confident | 110 Ų | 110 | 97.2 Ų | 97.2 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.8 | -42.2 | 173.4 | -165.4 | 18.9 | 0 | 0 | 0 | 111.8 | K238 A239 L240 R245 S246 | K238-N242 VanDerWaalsContact O-CB 3.31Å; K238-N242 WeakPolarHBondContact O-CB 3.34Å; K238-N242 PolarHBondContact O-N 3.29Å; A239-N242 PolarHBondContact O-N 2.93Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 2.81Å; N242-R245 PolarHBondContact O-N 3.39Å; N242-S246 WeakPolarHBondContact O-CB 3.31Å; N242-S246 PolarHBondContact O-N 2.77Å |
| 243 | L | 88 | Confident | 78.7 | Confident | 97 Ų | 97 | 97.5 Ų | 97.5 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.4 | 178.6 | 61.4 | 0 | 0 | 0 | 111.2 | A239 L240 R245 S246 I247 | A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.12Å; L243-R245 PolarHBondContact O-N 2.78Å; L243-S246 WeakPolarHBondContact O-CB 3.42Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 VanDerWaalsContact O-N 3.13Å; L243-I247 HydrophobicContact CD1-CD1 4.04Å; L243-I247 HydrophobicContact CD1-CG1 4.25Å; L243-I247 HydrophobicContact CG-CD1 3.92Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 2.82Å |
| 244 | S | 85.4 | Confident | 77.4 | Confident | 75 Ų | 75 | 99.8 Ų | 99.8 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | L240 I247 A248 | L240-S244 VanDerWaalsContact O-CB 3.32Å; L240-S244 WeakPolarHBondContact O-CB 3.23Å; L240-S244 PolarHBondContact O-N 2.82Å; S244-I247 PolarHBondContact O-N 3.48Å; S244-A248 WeakPolarHBondContact O-CB 3.35Å; S244-A248 PolarHBondContact O-N 3.31Å |
| 245 | R | 82.3 | Confident | 75.9 | Confident | 129 Ų | 129 | 101 Ų | 101 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 172.3 | -80.5 | -170.9 | -87.5 | -95 | 4.8 | 112.8 | E241 N242 L243 A248 I249 | E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.16Å; E241-R245 IonicContact OE1-NH1 2.65Å; E241-R245 PolarHBondContact OE1-NH1 3.02Å; E241-R245 IonicContact OE1-NH2 2.78Å; E241-R245 PolarHBondContact OE1-NH2 2.71Å; E241-R245 IonicContact OE2-NH2 3.39Å; E241-R245 PolarHBondContact OE2-NH2 3.31Å; N242-R245 PolarHBondContact O-N 3.39Å; L243-R245 PolarHBondContact O-N 2.78Å; R245-A248 PolarHBondContact O-N 3.3Å; R245-I249 WeakPolarHBondContact O-CD1 3.43Å; R245-I249 WeakPolarHBondContact O-CG1 3.21Å; R245-I249 PolarHBondContact O-N 2.87Å |
| 246 | S | 78.3 | Confident | 74 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 43% | 0.427 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 177 | -168.8 | 0 | 0 | 0 | 0 | 112 | N242 L243 I249 S250 | N242-S246 WeakPolarHBondContact O-CB 3.31Å; N242-S246 PolarHBondContact O-N 2.77Å; L243-S246 WeakPolarHBondContact O-CB 3.42Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 VanDerWaalsContact O-N 3.13Å; S246-I249 PolarHBondContact O-N 3.46Å; S246-S250 PolarHBondContact O-N 2.83Å; S246-S250 PolarHBondContact O-OG 3.36Å; S246-S250 VanDerWaalsContact O-OG 3.13Å |
| 247 | I | 77 | Confident | 72 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.9 | -67 | 164.8 | 0 | 0 | 0 | 110.1 | L243 S244 I249 S250 D251 | L243-I247 HydrophobicContact CD1-CD1 4.04Å; L243-I247 HydrophobicContact CD1-CG1 4.25Å; L243-I247 HydrophobicContact CG-CD1 3.92Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 2.82Å; S244-I247 PolarHBondContact O-N 3.48Å; I247-I249 PolarHBondContact O-N 3.49Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 VanDerWaalsContact O-N 3.09Å; I247-D251 PolarHBondContact O-N 2.83Å |
| 248 | A | 71 | Confident | 70.4 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 52% | 0.521 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -27.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S244 R245 | S244-A248 WeakPolarHBondContact O-CB 3.35Å; S244-A248 PolarHBondContact O-N 3.31Å; R245-A248 PolarHBondContact O-N 3.3Å |
| 249 | I | 65.8 | Low | 68.3 | Low | 117 Ų | 117 | 99.4 Ų | 99.4 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -82.7 | -35.5 | 174.5 | -65.9 | 162.8 | 0 | 0 | 0 | 111 | R245 S246 I247 E252 L253 | R245-I249 WeakPolarHBondContact O-CD1 3.43Å; R245-I249 WeakPolarHBondContact O-CG1 3.21Å; R245-I249 PolarHBondContact O-N 2.87Å; S246-I249 PolarHBondContact O-N 3.46Å; I247-I249 PolarHBondContact O-N 3.49Å; I249-E252 PolarHBondContact O-N 3.32Å; I249-L253 PolarHBondContact O-N 2.92Å |
| 250 | S | 58.8 | Low | 66 | Low | 60 Ų | 60 | 105 Ų | 105 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -38.5 | 174.3 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | S246 I247 E252 L253 D254 | S246-S250 PolarHBondContact O-N 2.83Å; S246-S250 PolarHBondContact O-OG 3.36Å; S246-S250 VanDerWaalsContact O-OG 3.13Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 VanDerWaalsContact O-N 3.09Å; S250-E252 PolarHBondContact O-N 3.16Å; S250-L253 PolarHBondContact O-N 3.13Å; S250-L253 VanDerWaalsContact O-N 3.09Å; S250-D254 PolarHBondContact O-N 3.05Å |
| 251 | D | 58.4 | Low | 64.1 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63 | -20 | 175.1 | -81.2 | 3.5 | 0 | 0 | 0 | 113.6 | I247 | I247-D251 PolarHBondContact O-N 2.83Å |
| 252 | E | 58.3 | Low | 62.4 | Low | 142 Ų | 142 | 106.4 Ų | 106.4 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85.4 | -35.1 | 173.6 | -166.2 | 157.6 | -141.4 | 0 | 0 | 111.4 | I249 S250 K255 | I249-E252 PolarHBondContact O-N 3.32Å; S250-E252 PolarHBondContact O-N 3.16Å; E252-K255 PolarHBondContact O-N 2.98Å |
| 253 | L | 53.3 | Low | 60.5 | Low | 98 Ų | 98 | 107 Ų | 107 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.8 | -33.2 | 174.9 | -169.8 | 65.6 | 0 | 0 | 0 | 112.5 | I249 S250 K255 E256 T257 | I249-L253 PolarHBondContact O-N 2.92Å; S250-L253 PolarHBondContact O-N 3.13Å; S250-L253 VanDerWaalsContact O-N 3.09Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.08Å; L253-E256 PolarHBondContact O-N 3.45Å; L253-T257 HydrophobicContact CG-CG2 4.15Å; L253-T257 PolarHBondContact O-N 2.83Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.1Å |
| 254 | D | 52 | Low | 58.5 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -9.7 | 177.2 | -94.5 | -3.2 | 0 | 0 | 0 | 114.4 | S250 T257 V258 | S250-D254 PolarHBondContact O-N 3.05Å; D254-T257 WeakPolarHBondContact CA-OG1 3.22Å; D254-T257 PolarHBondContact OD1-OG1 3.28Å; D254-V258 VanDerWaalsContact O-CG2 3.32Å; D254-V258 WeakPolarHBondContact O-CG2 3.33Å |
| 255 | K | 57.2 | Low | 56.8 | Low | 165 Ų | 165 | 115 Ų | 115 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -22.8 | 170.9 | -65 | 170.3 | -172 | 165 | 0 | 113 | E252 L253 | E252-K255 PolarHBondContact O-N 2.98Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.08Å |
| 256 | E | 49.4 | Very low | 55.1 | Low | 152 Ų | 152 | 119.8 Ų | 119.8 | 71% | 0.71 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -24.8 | 177.7 | -62.7 | -170.5 | 152 | 0 | 0 | 112.1 | L253 | L253-E256 PolarHBondContact O-N 3.45Š|
| 257 | T | 47.5 | Very low | 53.5 | Low | 59 Ų | 59 | 122.7 Ų | 122.7 | 36% | 0.362 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -80.7 | -10.8 | -179.8 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | L253 D254 A259 F260 | L253-T257 HydrophobicContact CG-CG2 4.15Å; L253-T257 PolarHBondContact O-N 2.83Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.1Å; D254-T257 WeakPolarHBondContact CA-OG1 3.22Å; D254-T257 PolarHBondContact OD1-OG1 3.28Å; T257-A259 PolarHBondContact O-N 3.21Å; T257-F260 CarbonylContact O-C 3.55Å; T257-F260 PolarHBondContact O-N 2.9Å |
| 258 | V | 54.2 | Low | 51.9 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -55.2 | -27.4 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 112 | D254 N261 | D254-V258 VanDerWaalsContact O-CG2 3.32Å; D254-V258 WeakPolarHBondContact O-CG2 3.33Å; V258-N261 PolarHBondContact O-ND2 3.27Å |
| 259 | A | 46.7 | Very low | 50.8 | Low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.6 | -15.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T257 | T257-A259 PolarHBondContact O-N 3.21Š|
| 260 | F | 38.9 | Very low | 50 | Low | 177 Ų | 177 | 134.3 Ų | 134.3 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -120.2 | 62.2 | -178 | -84.2 | -80.3 | 0 | 0 | 0 | 112.3 | T257 S262 | T257-F260 CarbonylContact O-C 3.55Å; T257-F260 PolarHBondContact O-N 2.9Å; F260-S262 PolarHBondContact O-N 3.35Å | ||
| 261 | N | 50.8 | Low | 49.4 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -68.9 | 88.1 | 165.8 | -89.1 | -82.8 | 0 | 0 | 0 | 111.3 | V258 | V258-N261 PolarHBondContact O-ND2 3.27Š| ||
| 262 | S | 49.1 | Very low | 48.7 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -163.7 | 123.4 | 150.1 | 41.1 | 0 | 0 | 0 | 0 | 114 | F260 | F260-S262 PolarHBondContact O-N 3.35Š|
| 263 | S | 48.8 | Very low | 48.2 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | 54.8 | 71.1 | 153 | -58.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 264 | I | 45.7 | Very low | 48 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 86% | 0.862 | 74% | 0.737 | S | S | * | * | trans | -114.9 | 129.6 | 147.6 | -65.2 | -178.8 | 0 | 0 | 0 | 109 | R266 | I264-R266 PolarHBondContact O-N 3.47Š| ||
| 265 | L | 48.7 | Very low | 47.5 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | -71.3 | 113.6 | -167.3 | -65.9 | 163.2 | 0 | 0 | 0 | 111.4 | ||||
| 266 | R | 48 | Very low | 46.9 | Very low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 143.1 | 164.6 | -69.8 | -177.1 | 178 | 172.4 | -0.8 | 109.7 | I264 R268 | I264-R266 PolarHBondContact O-N 3.47Å; R266-R268 PolarHBondContact O-N 3.02Å | ||
| 267 | P | 43.2 | Very low | 46.9 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -55.8 | 130.1 | 170.9 | -22.5 | 33 | 0 | 0 | 0 | 110.3 | V269 | P267-V269 PolarHBondContact O-N 3.31Š| ||
| 268 | R | 44.4 | Very low | 47.2 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -67.2 | 99.9 | 173.9 | -85.2 | -174.9 | 168.7 | -166 | -3.5 | 109.6 | R266 I270 | R266-R268 PolarHBondContact O-N 3.02Å; R268-I270 PolarHBondContact O-N 2.96Å | ||
| 269 | V | 47.6 | Very low | 47.2 | Very low | 102 Ų | 102 | 149.6 Ų | 149.6 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | -72.4 | 115.8 | 157.2 | 177.6 | 0 | 0 | 0 | 0 | 107 | P267 G271 | P267-V269 PolarHBondContact O-N 3.31Å; V269-G271 PolarHBondContact O-N 3.08Å | ||
| 270 | I | 48.6 | Very low | 47.6 | Very low | 173 Ų | 173 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -82.6 | 98.8 | 170.1 | -62.4 | 175.5 | 0 | 0 | 0 | 106.5 | R268 | R268-I270 PolarHBondContact O-N 2.96Š| ||
| 271 | G | 46.8 | Very low | 48.5 | Very low | 47 Ų | 47 | 146.4 Ų | 146.4 | 49% | 0.485 | 76% | 0.76 | S | S | . | * | S | Bend | trans | 167.9 | 125.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V269 W273 | V269-G271 PolarHBondContact O-N 3.08Å; G271-W273 PolarHBondContact O-N 3.17Å |
| 272 | E | 44.1 | Very low | 49.4 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -73.9 | 106.4 | 177.3 | -169.5 | 173.6 | -168.5 | 0 | 0 | 109 | I274 | E272-I274 HydrophobicContact CG-CG1 4.15Å; E272-I274 PolarHBondContact O-N 3.09Å | ||
| 273 | W | 46.8 | Very low | 50.2 | Low | 220 Ų | 220 | 143.9 Ų | 143.9 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -74.6 | 83.4 | 169.3 | -72.4 | 83.5 | 0 | 0 | 0 | 108.3 | G271 G275 | G271-W273 PolarHBondContact O-N 3.17Å; W273-G275 PolarHBondContact O-N 3.4Å; W273-G275 VanDerWaalsContact O-N 3.16Å | ||
| 274 | I | 50.5 | Low | 50.5 | Low | 141 Ų | 141 | 142.7 Ų | 142.7 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119.5 | 170.4 | -71.2 | 162.9 | 0 | 0 | 0 | 107.5 | E272 R276 | E272-I274 HydrophobicContact CG-CG1 4.15Å; E272-I274 PolarHBondContact O-N 3.09Å; I274-R276 PolarHBondContact O-N 2.87Å |
| 275 | G | 40.5 | Very low | 51.4 | Low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 126.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W273 | W273-G275 PolarHBondContact O-N 3.4Å; W273-G275 VanDerWaalsContact O-N 3.16Å |
| 276 | R | 44.2 | Very low | 52.1 | Low | 205 Ų | 205 | 130.9 Ų | 130.9 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 126.4 | 148.6 | -165.1 | -162.8 | -53.2 | -96 | 1.8 | 106 | I274 E278 | I274-R276 PolarHBondContact O-N 2.87Å; R276-E278 PolarHBondContact O-N 2.97Å |
| 277 | E | 48.8 | Very low | 52.9 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 128.6 | 174.1 | 179.6 | -178.6 | 171.5 | 0 | 0 | 111 | N279 D280 | E277-N279 HydrophobicContact CG-CB 4.13Å; E277-N279 PolarHBondContact O-N 2.85Å; E277-D280 PolarHBondContact O-N 2.91Å |
| 278 | E | 54.3 | Low | 53.9 | Low | 186 Ų | 186 | 127.9 Ų | 127.9 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 13.2 | -178.1 | 58.8 | -105.8 | 159.8 | 0 | 0 | 115 | R276 | R276-E278 PolarHBondContact O-N 2.97Š|
| 279 | N | 54.5 | Low | 54.7 | Low | 127 Ų | 127 | 123.5 Ų | 123.5 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -2.4 | 174.4 | -73.2 | -78.6 | 0 | 0 | 0 | 114.4 | E277 A281 | E277-N279 HydrophobicContact CG-CB 4.13Å; E277-N279 PolarHBondContact O-N 2.85Å; N279-A281 PolarHBondContact O-N 3.18Å |
| 280 | D | 54.5 | Low | 54.8 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -84.8 | 65.8 | 173.8 | -160.5 | 18.6 | 0 | 0 | 0 | 110.8 | E277 D282 | E277-D280 PolarHBondContact O-N 2.91Å; D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 3.37Å | ||
| 281 | A | 59 | Low | 54.8 | Low | 82 Ų | 82 | 121 Ų | 121 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -73.8 | 87 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | N279 P283 | N279-A281 PolarHBondContact O-N 3.18Å; A281-P283 WeakPolarHBondContact O-CD 3.38Å | ||
| 282 | D | 69.4 | Low | 55.1 | Low | 80 Ų | 80 | 125 Ų | 125 | 43% | 0.428 | 67% | 0.665 | S | S | . | * | trans | -48.1 | 113 | 172.2 | 173.1 | 7.7 | 0 | 0 | 0 | 109.5 | D280 L284 A285 A286 | D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 3.37Å; D282-L284 PolarHBondContact O-N 3.15Å; D282-L284 WeakPolarHBondContact OD1-CB 3.36Å; D282-L284 PolarHBondContact OD1-N 2.89Å; D282-A285 HydrophobicContact CB-CB 3.81Å; D282-A285 WeakPolarHBondContact O-CB 3.41Å; D282-A285 PolarHBondContact O-N 3.3Å; D282-A286 PolarHBondContact O-N 3.06Å | ||
| 283 | P | 65.3 | Low | 55.6 | Low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.7 | -26 | -174.4 | 25.1 | -33.8 | 0 | 0 | 0 | 111.7 | A281 E287 | A281-P283 WeakPolarHBondContact O-CD 3.38Å; P283-E287 PolarHBondContact O-N 3.44Å; P283-E287 VanDerWaalsContact O-N 3.09Å |
| 284 | L | 55.3 | Low | 55.4 | Low | 98 Ų | 98 | 117.4 Ų | 117.4 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.4 | -38 | 174.8 | -175.7 | 64 | 0 | 0 | 0 | 111.6 | D282 A286 E287 M288 | D282-L284 PolarHBondContact O-N 3.15Å; D282-L284 WeakPolarHBondContact OD1-CB 3.36Å; D282-L284 PolarHBondContact OD1-N 2.89Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.21Å; L284-E287 PolarHBondContact O-N 3.05Å; L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 WeakPolarHBondContact O-CB 3.37Å; L284-M288 WeakPolarHBondContact O-CG 3.44Å; L284-M288 PolarHBondContact O-N 2.92Å |
| 285 | A | 64 | Low | 55.2 | Low | 40 Ų | 40 | 122.7 Ų | 122.7 | 33% | 0.331 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.8 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D282 L289 | D282-A285 HydrophobicContact CB-CB 3.81Å; D282-A285 WeakPolarHBondContact O-CB 3.41Å; D282-A285 PolarHBondContact O-N 3.3Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.35Å; A285-L289 PolarHBondContact O-N 3.01Å; A285-L289 VanDerWaalsContact O-N 3.08Å |
| 286 | A | 64.4 | Low | 55.5 | Low | 51 Ų | 51 | 124.7 Ų | 124.7 | 42% | 0.421 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65 | -38.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D282 L284 Q290 | D282-A286 PolarHBondContact O-N 3.06Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.21Å; A286-Q290 WeakPolarHBondContact O-CG 3.09Å; A286-Q290 PolarHBondContact O-N 3.29Å |
| 287 | E | 63.9 | Low | 55.5 | Low | 135 Ų | 135 | 124.8 Ų | 124.8 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.6 | -45.5 | 174.4 | -173.1 | 178.3 | 176.1 | 0 | 0 | 112.1 | P283 L284 L289 Q290 | P283-E287 PolarHBondContact O-N 3.44Å; P283-E287 VanDerWaalsContact O-N 3.09Å; L284-E287 PolarHBondContact O-N 3.05Å; E287-L289 PolarHBondContact O-N 3.28Å; E287-Q290 PolarHBondContact O-N 3.22Å; E287-Q290 VanDerWaalsContact O-N 3.08Å |
| 288 | M | 63.9 | Low | 54.8 | Low | 153 Ų | 153 | 123.9 Ų | 123.9 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.4 | -22.9 | 178.8 | -72.4 | -165.6 | 72.6 | 0 | 0 | 113.8 | L284 | L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 WeakPolarHBondContact O-CB 3.37Å; L284-M288 WeakPolarHBondContact O-CG 3.44Å; L284-M288 PolarHBondContact O-N 2.92Å |
| 289 | L | 62.1 | Low | 54.1 | Low | 149 Ų | 149 | 122.7 Ų | 122.7 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -7.1 | 174.2 | -67.8 | 173 | 0 | 0 | 0 | 113.4 | A285 E287 P291 | A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.35Å; A285-L289 PolarHBondContact O-N 3.01Å; A285-L289 VanDerWaalsContact O-N 3.08Å; E287-L289 PolarHBondContact O-N 3.28Å; L289-P291 WeakPolarHBondContact O-CD 3.44Å |
| 290 | Q | 49.9 | Very low | 53.1 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -80.6 | 122.1 | 172.6 | -81.7 | -177.8 | 24.4 | 0 | 0 | 111.2 | A286 E287 | A286-Q290 WeakPolarHBondContact O-CG 3.09Å; A286-Q290 PolarHBondContact O-N 3.29Å; E287-Q290 PolarHBondContact O-N 3.22Å; E287-Q290 VanDerWaalsContact O-N 3.08Å |
| 291 | P | 49.1 | Very low | 52 | Low | 102 Ų | 102 | 129.6 Ų | 129.6 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | trans | -66 | 148.7 | 170 | 28.7 | -33.8 | 0 | 0 | 0 | 110.1 | L289 I293 | L289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-I293 PolarHBondContact O-N 3.21Å | ||
| 292 | P | 52.1 | Low | 50.8 | Low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 69% | 0.693 | S | S | * | * | trans | -57.1 | 109.2 | -174.7 | -26.2 | 34.3 | 0 | 0 | 0 | 112.8 | P294 | P292-P294 WeakPolarHBondContact O-CD 3.23Š| ||
| 293 | I | 55.3 | Low | 48.9 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | trans | -70.6 | 119 | 177.9 | -55.7 | 175.9 | 0 | 0 | 0 | 108.3 | P291 R295 | P291-I293 PolarHBondContact O-N 3.21Å; I293-R295 PolarHBondContact O-N 2.99Å; I293-R295 VanDerWaalsContact O-N 3.08Å | ||
| 294 | P | 42.6 | Very low | 47.6 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | trans | -68 | 112.5 | 175.4 | 27.7 | -32.5 | 0 | 0 | 0 | 109 | P292 S296 | P292-P294 WeakPolarHBondContact O-CD 3.23Å; P294-S296 VanDerWaalsContact C-N 3.31Å; P294-S296 PolarHBondContact O-N 3.09Å | ||
| 295 | R | 45.3 | Very low | 46.5 | Very low | 253 Ų | 253 | 142.9 Ų | 142.9 | 96% | 0.955 | 74% | 0.737 | S | S | * | * | trans | -62.2 | 87.6 | 174.4 | -78.8 | -178.4 | 156 | 129.2 | -2.9 | 110.9 | I293 K297 | I293-R295 PolarHBondContact O-N 2.99Å; I293-R295 VanDerWaalsContact O-N 3.08Å; R295-K297 PolarHBondContact O-N 3.05Å | ||
| 296 | S | 48.3 | Very low | 45 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -73.6 | 112.2 | 165.4 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | P294 N298 | P294-S296 VanDerWaalsContact C-N 3.31Å; P294-S296 PolarHBondContact O-N 3.09Å; S296-N298 PolarHBondContact O-N 3.09Å; S296-N298 VanDerWaalsContact O-N 3.08Å | ||
| 297 | K | 43.9 | Very low | 43.4 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | trans | -66.7 | 99.9 | 179.4 | -172.7 | 177.3 | -174 | 176.5 | 0 | 110.6 | R295 | R295-K297 PolarHBondContact O-N 3.05Š| ||
| 298 | N | 33.4 | Very low | 42 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | -154.7 | 82.4 | 164.2 | -164.6 | 42.9 | 0 | 0 | 0 | 113 | S296 Q300 | S296-N298 PolarHBondContact O-N 3.09Å; S296-N298 VanDerWaalsContact O-N 3.08Å; N298-Q300 VanDerWaalsContact C-N 3.32Å; N298-Q300 PolarHBondContact O-N 2.96Å; N298-Q300 VanDerWaalsContact O-N 3.13Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 299 | D | 40.3 | Very low | 40.6 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 85.7 | 158.3 | -71 | -76.6 | 0 | 0 | 0 | 109 | ||||
| 300 | Q | 32.7 | Very low | 40.1 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -148.1 | 81.2 | 175.4 | -168.7 | 147.7 | 80.1 | 0 | 0 | 113 | N298 | N298-Q300 VanDerWaalsContact C-N 3.32Å; N298-Q300 PolarHBondContact O-N 2.96Å; N298-Q300 VanDerWaalsContact O-N 3.13Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 301 | W | 32.4 | Very low | 39.2 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 52.6 | 126.5 | 139 | -64.1 | 20.6 | 0 | 0 | 0 | 118.9 | S303 | W301-S303 PolarHBondContact O-N 3.09Š| ||
| 302 | E | 34.1 | Very low | 38.3 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -36.1 | 127.6 | 162.4 | -59.7 | -67.7 | 129.2 | 0 | 0 | 112.9 | ||||
| 303 | S | 29.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -155.1 | 106.4 | 161.4 | -76 | 0 | 0 | 0 | 0 | 108.7 | W301 D305 | W301-S303 PolarHBondContact O-N 3.09Å; S303-D305 PolarHBondContact O-N 3.08Å | ||
| 304 | E | 37.4 | Very low | 36.8 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 115.2 | 174.8 | -59 | 165.1 | 95.7 | 0 | 0 | 109.7 | ||||
| 305 | D | 32.2 | Very low | 36.5 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -169.7 | 162.5 | 140.5 | -126.5 | -33.8 | 0 | 0 | 0 | 115.2 | S303 | S303-D305 PolarHBondContact O-N 3.08Š| ||
| 306 | S | 32.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 71.7 | 111.1 | 161.6 | -60.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 307 | G | 31.8 | Very low | 35.9 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -90.6 | -173.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 308 | S | 32.9 | Very low | 35.7 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | 73 | 115.9 | 166.9 | 62.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 309 | S | 34.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 177.8 | 150.9 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 310 | P | 52.4 | Low | 37.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -144.4 | -169.6 | 12.2 | 43.5 | -23 | 0 | 0 | 0 | 117.2 | ||||
| 311 | A | 30 | Very low | 38.2 | Very low | 106 Ų | 106 | 140 Ų | 140 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 81.3 | 115.8 | 154 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 312 | G | 31.3 | Very low | 39.7 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -178.2 | 87.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 313 | S | 39.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | -81.3 | 117.8 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 314 | L | 36 | Very low | 43.8 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -158.4 | 111.5 | 163.4 | -139 | 143.2 | 0 | 0 | 0 | 114.4 | ||||
| 315 | K | 35.7 | Very low | 45.8 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | 37.9 | 110.7 | 159.2 | -58.8 | -178.9 | 177.3 | -179.3 | 0 | 119.2 | E317 | K315-E317 PolarHBondContact O-N 3.4Š| ||
| 316 | M | 39.3 | Very low | 48.3 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 97% | 0.97 | 73% | 0.725 | S | S | * | * | trans | -75.2 | 118.8 | 158 | -79.6 | -167.4 | 165.7 | 0 | 0 | 112 | ||||
| 317 | E | 41.4 | Very low | 51 | Low | 128 Ų | 128 | 125.8 Ų | 125.8 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | trans | -83.2 | 129.1 | 154.5 | -175.1 | -157.5 | 147.5 | 0 | 0 | 108.4 | K315 K319 K321 | K315-E317 PolarHBondContact O-N 3.4Å; E317-K319 PolarHBondContact O-N 3.43Å; E317-K321 IonicContact OE1-NZ 2.6Å; E317-K321 PolarHBondContact OE1-NZ 3.08Å | ||
| 318 | P | 41.1 | Very low | 53.7 | Low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 98.6 | 175.4 | 28.4 | -33.3 | 0 | 0 | 0 | 110.7 | N320 | P318-N320 PolarHBondContact O-N 3.07Š| ||
| 319 | K | 51.1 | Low | 56.2 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | trans | -74.1 | 48.5 | -178.3 | -159.9 | 170.9 | -179.9 | 176.3 | 0 | 113.4 | E317 K321 | E317-K319 PolarHBondContact O-N 3.43Å; K319-K321 PolarHBondContact O-N 3.27Å | ||
| 320 | N | 50.7 | Low | 58.6 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 16.3 | 179.6 | -76.9 | -26.3 | 0 | 0 | 0 | 114.8 | P318 | P318-N320 PolarHBondContact O-N 3.07Š|
| 321 | K | 56.4 | Low | 60.6 | Low | 144 Ų | 144 | 130.1 Ų | 130.1 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.6 | -30.1 | -176.1 | -68.2 | 161.8 | 180 | 159.1 | 0 | 112.1 | E317 K319 | E317-K321 IonicContact OE1-NZ 2.6Å; E317-K321 PolarHBondContact OE1-NZ 3.08Å; K319-K321 PolarHBondContact O-N 3.27Å |
| 322 | G | 63.5 | Low | 63.6 | Low | 43 Ų | 43 | 132.8 Ų | 132.8 | 44% | 0.443 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -76.2 | -48.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K324 Q325 Q326 | G322-K324 PolarHBondContact O-N 3.14Å; G322-Q325 WeakPolarHBondContact O-CB 3.29Å; G322-Q325 PolarHBondContact O-N 2.89Å; G322-Q326 PolarHBondContact O-N 3.22Å |
| 323 | L | 70 | Confident | 66.3 | Low | 118 Ų | 118 | 134 Ų | 134 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.3 | -41.9 | -173.1 | -176.1 | 64.6 | 0 | 0 | 0 | 112.8 | Q325 Q326 Q327 | L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.98Å; L323-Q326 PolarHBondContact O-N 2.93Å; L323-Q327 WeakPolarHBondContact O-CB 3.37Å; L323-Q327 PolarHBondContact O-N 3.02Å |
| 324 | K | 79.5 | Confident | 68.6 | Low | 154 Ų | 154 | 131.9 Ų | 131.9 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.5 | -35.3 | 176.6 | -168.2 | 174.2 | -178.2 | 178.5 | 0 | 111.9 | G322 Q328 | G322-K324 PolarHBondContact O-N 3.14Å; K324-Q328 VanDerWaalsContact O-CB 3.28Å; K324-Q328 WeakPolarHBondContact O-CB 3.43Å; K324-Q328 PolarHBondContact O-N 3.27Å |
| 325 | Q | 80.8 | Confident | 71.1 | Confident | 116 Ų | 116 | 127.1 Ų | 127.1 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.5 | -41.7 | 175.5 | -171.2 | 173.9 | 12.4 | 0 | 0 | 111.5 | G322 L323 Q328 Q329 | G322-Q325 WeakPolarHBondContact O-CB 3.29Å; G322-Q325 PolarHBondContact O-N 2.89Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.98Å; Q325-Q328 PolarHBondContact O-N 3.36Å; Q325-Q329 WeakPolarHBondContact O-CB 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.25Å; Q325-Q329 PolarHBondContact O-N 3.04Å |
| 326 | Q | 83.8 | Confident | 73.4 | Confident | 124 Ų | 124 | 120.2 Ų | 120.2 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62 | -45.7 | 174.2 | -171.9 | -172.4 | 11.5 | 0 | 0 | 111.4 | G322 L323 Q328 Q329 H330 | G322-Q326 PolarHBondContact O-N 3.22Å; L323-Q326 PolarHBondContact O-N 2.93Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.29Å; Q326-Q329 PolarHBondContact O-N 3.43Å; Q326-H330 WeakPolarHBondContact O-CB 3.46Å; Q326-H330 PolarHBondContact O-N 3.03Å |
| 327 | Q | 88 | Confident | 75.3 | Confident | 143 Ų | 143 | 116 Ų | 116 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -37.1 | 175.6 | -170.2 | 179.8 | 58.4 | 0 | 0 | 111.7 | L323 K331 | L323-Q327 WeakPolarHBondContact O-CB 3.37Å; L323-Q327 PolarHBondContact O-N 3.02Å; Q327-K331 VanDerWaalsContact O-CB 3.29Å; Q327-K331 WeakPolarHBondContact O-CB 3.32Å; Q327-K331 PolarHBondContact O-N 2.87Å |
| 328 | Q | 88.9 | Confident | 77 | Confident | 136 Ų | 136 | 115.8 Ų | 115.8 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.1 | -34.5 | 177.1 | -164.8 | 170.3 | 9.3 | 0 | 0 | 112.6 | K324 Q325 Q326 K332 | K324-Q328 VanDerWaalsContact O-CB 3.28Å; K324-Q328 WeakPolarHBondContact O-CB 3.43Å; K324-Q328 PolarHBondContact O-N 3.27Å; Q325-Q328 PolarHBondContact O-N 3.36Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.29Å; Q328-K332 WeakPolarHBondContact O-CB 3.43Å; Q328-K332 PolarHBondContact O-N 3.34Å |
| 329 | Q | 85.9 | Confident | 78.3 | Confident | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -46.1 | 170.8 | -77.2 | 174.7 | -22.2 | 0 | 0 | 111.6 | Q325 Q326 K332 L333 | Q325-Q329 WeakPolarHBondContact O-CB 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.25Å; Q325-Q329 PolarHBondContact O-N 3.04Å; Q326-Q329 PolarHBondContact O-N 3.43Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.09Å; Q329-K332 VanDerWaalsContact O-N 3.11Å; Q329-L333 PolarHBondContact O-N 3.22Å |
| 330 | H | 86.1 | Confident | 78.5 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 175.7 | 179.9 | 64.9 | 0 | 0 | 0 | 111.6 | Q326 K332 L333 L334 | Q326-H330 WeakPolarHBondContact O-CB 3.46Å; Q326-H330 PolarHBondContact O-N 3.03Å; H330-K332 VanDerWaalsContact C-N 3.28Å; H330-K332 PolarHBondContact O-N 3.41Å; H330-L333 PolarHBondContact O-N 3.37Å; H330-L334 WeakPolarHBondContact O-CG 3.5Å; H330-L334 PolarHBondContact O-N 2.98Å |
| 331 | K | 94 | Very high | 78.8 | Confident | 155 Ų | 155 | 115.2 Ų | 115.2 | 67% | 0.674 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.3 | -37.7 | 172 | -177.3 | 175.1 | 178.9 | 176.7 | 0 | 112.4 | Q327 A335 | Q327-K331 VanDerWaalsContact O-CB 3.29Å; Q327-K331 WeakPolarHBondContact O-CB 3.32Å; Q327-K331 PolarHBondContact O-N 2.87Å; K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 2.82Å |
| 332 | K | 91.6 | Very high | 78.6 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.5 | -39 | 176.1 | -172.5 | -179.1 | 177.7 | -174 | 0 | 111.8 | Q328 Q329 H330 A335 A336 | Q328-K332 WeakPolarHBondContact O-CB 3.43Å; Q328-K332 PolarHBondContact O-N 3.34Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.09Å; Q329-K332 VanDerWaalsContact O-N 3.11Å; H330-K332 VanDerWaalsContact C-N 3.28Å; H330-K332 PolarHBondContact O-N 3.41Å; K332-A335 PolarHBondContact O-N 3.1Å; K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 2.75Å |
| 333 | L | 89.2 | Confident | 77.4 | Confident | 107 Ų | 107 | 119 Ų | 119 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.3 | -49 | 175.7 | -179.5 | 64 | 0 | 0 | 0 | 111.4 | Q329 H330 A335 A336 M337 | Q329-L333 PolarHBondContact O-N 3.22Å; H330-L333 PolarHBondContact O-N 3.37Å; L333-A335 VanDerWaalsContact C-N 3.31Å; L333-A335 PolarHBondContact O-N 3.05Å; L333-A336 PolarHBondContact O-N 2.79Å; L333-M337 PolarHBondContact O-N 3.26Å |
| 334 | L | 88.9 | Confident | 76.2 | Confident | 80 Ų | 80 | 122.9 Ų | 122.9 | 42% | 0.419 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.2 | -43.3 | 175.2 | -69.3 | 174.7 | 0 | 0 | 0 | 111.9 | H330 A336 M337 L338 | H330-L334 WeakPolarHBondContact O-CG 3.5Å; H330-L334 PolarHBondContact O-N 2.98Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.82Å; L334-M337 PolarHBondContact O-N 3.31Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.01Å |
| 335 | A | 86.9 | Confident | 74.4 | Confident | 51 Ų | 51 | 119.6 Ų | 119.6 | 42% | 0.421 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K331 K332 L333 S339 | K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 2.82Å; K332-A335 PolarHBondContact O-N 3.1Å; L333-A335 VanDerWaalsContact C-N 3.31Å; L333-A335 PolarHBondContact O-N 3.05Å; A335-S339 WeakPolarHBondContact O-CB 3.48Å; A335-S339 PolarHBondContact O-N 2.91Å; A335-S339 PolarHBondContact O-OG 2.76Å |
| 336 | A | 84.9 | Confident | 72.5 | Confident | 46 Ų | 46 | 120.5 Ų | 120.5 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.1 | -33.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K332 L333 L334 Q340 | K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 2.75Å; L333-A336 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.82Å; A336-Q340 PolarHBondContact O-N 3.03Å; A336-Q340 PolarHBondContact O-NE2 2.9Å |
| 337 | M | 78.4 | Confident | 70.4 | Confident | 108 Ų | 108 | 122.5 Ų | 122.5 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -54 | 168.5 | -71.1 | 176 | 63.6 | 0 | 0 | 110.4 | L333 L334 S339 Q340 | L333-M337 PolarHBondContact O-N 3.26Å; L334-M337 PolarHBondContact O-N 3.31Å; M337-S339 PolarHBondContact O-N 3.45Å; M337-Q340 PolarHBondContact O-N 3.34Å |
| 338 | L | 76.6 | Confident | 67.6 | Low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.1 | -14.5 | 179.8 | -65.3 | 170.4 | 0 | 0 | 0 | 114.6 | L334 | L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.01Å |
| 339 | S | 68.6 | Low | 65.3 | Low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -11.7 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | A335 M337 | A335-S339 WeakPolarHBondContact O-CB 3.48Å; A335-S339 PolarHBondContact O-N 2.91Å; A335-S339 PolarHBondContact O-OG 2.76Å; M337-S339 PolarHBondContact O-N 3.45Å |
| 340 | Q | 56.6 | Low | 62.7 | Low | 155 Ų | 155 | 120.9 Ų | 120.9 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -28.7 | 171.3 | -77.4 | 163.9 | 94.1 | 0 | 0 | 111.2 | A336 M337 S342 | A336-Q340 PolarHBondContact O-N 3.03Å; A336-Q340 PolarHBondContact O-NE2 2.9Å; M337-Q340 PolarHBondContact O-N 3.34Å; Q340-S342 PolarHBondContact O-N 2.89Å |
| 341 | D | 56 | Low | 60.5 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -83 | 12.3 | 173.6 | -55.3 | -39.8 | 0 | 0 | 0 | 113.4 | ||
| 342 | S | 51.7 | Low | 57.6 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -131 | 106.1 | -176.1 | -152.6 | 0 | 0 | 0 | 0 | 111.5 | Q340 | Q340-S342 PolarHBondContact O-N 2.89Š|
| 343 | F | 39.9 | Very low | 55 | Low | 185 Ų | 185 | 116.7 Ų | 116.7 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | 85.7 | 62.2 | 172 | -114.8 | -81.7 | 0 | 0 | 0 | 118.2 | ||||
| 344 | E | 44.2 | Very low | 52.8 | Low | 199 Ų | 199 | 116.5 Ų | 116.5 | 93% | 0.93 | 67% | 0.668 | S | S | * | * | trans | -118.6 | 84.3 | 146.6 | -155 | 77.9 | -117.7 | 0 | 0 | 108.3 | ||||
| 345 | S | 41.8 | Very low | 50.7 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | trans | -153.6 | 132.9 | 178.6 | -157.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 346 | I | 41 | Very low | 49 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 88.1 | 72.6 | 164.3 | -43.9 | -168.5 | 0 | 0 | 0 | 117.7 | ||
| 347 | H | 38.9 | Very low | 47.5 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | 94.9 | 111.6 | 125.8 | -57.3 | -31.3 | 0 | 0 | 0 | 125.5 | |||||
| 348 | S | 30 | Very low | 46.1 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | 75.1 | 154.6 | 128.6 | 74.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 349 | P | 40 | Very low | 45.3 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | cis | -126.6 | 167.3 | 12 | 40.9 | -25.1 | 0 | 0 | 0 | 117.7 | ||||
| 350 | T | 31.6 | Very low | 45 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -75 | 160.7 | -176.5 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 351 | P | 39.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -145.2 | 143.1 | 87.7 | 36.7 | -19.9 | 0 | 0 | 0 | 117.8 | |||||
| 352 | S | 33.6 | Very low | 45.4 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 55.2 | 125 | 147.5 | 68 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 353 | V | 36 | Very low | 45.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -170 | 133.4 | 66.8 | 152.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 354 | T | 43 | Very low | 47 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | trans | 49.1 | 125.2 | 162.3 | 61 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 355 | E | 46.2 | Very low | 47.6 | Very low | 151 Ų | 151 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 49.4 | 132.8 | 90.7 | -24.8 | -43.7 | 128.3 | 0 | 0 | 112.8 | |||||
| 356 | E | 49.6 | Very low | 48.5 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | cis | -142.8 | 164.2 | 15.9 | -68.6 | 82.9 | -161.7 | 0 | 0 | 113.8 | ||||
| 357 | D | 54 | Low | 49.3 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 68.6 | 80.9 | 147.6 | -156.5 | 17.2 | 0 | 0 | 0 | 121.4 | ||||
| 358 | I | 49.9 | Very low | 50.7 | Low | 160 Ų | 160 | 138.4 Ų | 138.4 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | trans | -136.7 | 70.5 | 134.8 | -49 | 178.9 | 0 | 0 | 0 | 107.9 | N360 | I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 HydrophobicContact CG2-CB 4.28Å; I358-N360 PolarHBondContact O-N 3.48Å | ||
| 359 | D | 60.3 | Low | 52.7 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -71.5 | 87.6 | 166 | -83.2 | -10.4 | 0 | 0 | 0 | 108.8 | ||||
| 360 | N | 62 | Low | 54.6 | Low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | -139.1 | 40.4 | 169.6 | -151.5 | 122 | 0 | 0 | 0 | 110.9 | I358 D362 | I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 HydrophobicContact CG2-CB 4.28Å; I358-N360 PolarHBondContact O-N 3.48Å; N360-D362 PolarHBondContact O-N 2.77Å | ||
| 361 | E | 59.5 | Low | 56.8 | Low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -64.9 | 120.6 | 167.8 | -66.3 | -157.3 | 160.5 | 0 | 0 | 110.2 | D363 | E361-D363 PolarHBondContact O-N 3Å; E361-D363 VanDerWaalsContact O-N 3.1Å | ||
| 362 | D | 61.3 | Low | 58.8 | Low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | 29.5 | 65.4 | 156.2 | -70.5 | -28.3 | 0 | 0 | 0 | 118.2 | N360 A364 | N360-D362 PolarHBondContact O-N 2.77Å; D362-A364 PolarHBondContact O-N 3.35Å | ||
| 363 | D | 62.7 | Low | 61.2 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | trans | -67.9 | 36.7 | 153.2 | -96.2 | -22.4 | 0 | 0 | 0 | 111.9 | E361 M365 | E361-D363 PolarHBondContact O-N 3Å; E361-D363 VanDerWaalsContact O-N 3.1Å; D363-M365 VanDerWaalsContact C-N 3.26Å; D363-M365 PolarHBondContact O-N 2.95Å | ||
| 364 | A | 61 | Low | 63.3 | Low | 73 Ų | 73 | 131.5 Ų | 131.5 | 60% | 0.603 | 68% | 0.683 | S | S | * | * | trans | -74.6 | 82.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | D362 E366 | D362-A364 PolarHBondContact O-N 3.35Å; A364-E366 PolarHBondContact O-N 3.42Å | ||
| 365 | M | 57.9 | Low | 65.2 | Low | 165 Ų | 165 | 134.3 Ų | 134.3 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | -56.4 | 101.5 | 170 | -69.5 | -166.9 | -64.8 | 0 | 0 | 109.5 | D363 L367 | D363-M365 VanDerWaalsContact C-N 3.26Å; D363-M365 PolarHBondContact O-N 2.95Å; M365-L367 PolarHBondContact O-N 3.34Å | ||
| 366 | E | 60.8 | Low | 66.7 | Low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -65.1 | 98.5 | 168.1 | -72 | -165.9 | 152.3 | 0 | 0 | 108.2 | A364 L368 | A364-E366 PolarHBondContact O-N 3.42Å; E366-L368 PolarHBondContact O-N 2.88Å | ||
| 367 | L | 57.4 | Low | 68.3 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -65.7 | 85.6 | 167 | -68.9 | 173.7 | 0 | 0 | 0 | 108.6 | M365 E369 | M365-L367 PolarHBondContact O-N 3.34Å; L367-E369 PolarHBondContact O-N 3.19Å | ||
| 368 | L | 69.3 | Low | 69.3 | Low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -64.7 | 100.7 | 162.6 | -82.7 | 151.3 | 0 | 0 | 0 | 107.6 | E366 D370 | E366-L368 PolarHBondContact O-N 2.88Å; L368-D370 PolarHBondContact O-N 3.12Å | ||
| 369 | E | 70.4 | Confident | 70.6 | Confident | 144 Ų | 144 | 124.1 Ų | 124.1 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | trans | -51.5 | 125.6 | 175.6 | -67.1 | 166.3 | 169.4 | 0 | 0 | 110.1 | L367 L371 L374 | L367-E369 PolarHBondContact O-N 3.19Å; E369-L371 PolarHBondContact O-N 3.01Å; E369-L374 HydrophobicContact CB-CD1 4.02Å; E369-L374 HydrophobicContact CB-CD2 4.4Å; E369-L374 HydrophobicContact CB-CG 4.1Å | ||
| 370 | D | 80.4 | Confident | 70.9 | Confident | 106 Ų | 106 | 122.8 Ų | 122.8 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | trans | -63.3 | 136.6 | -174.7 | -98.6 | -30.9 | 0 | 0 | 0 | 110.9 | L368 N372 D373 L374 | L368-D370 PolarHBondContact O-N 3.12Å; D370-N372 PolarHBondContact O-N 3.35Å; D370-D373 HydrophobicContact CB-CB 4.29Å; D370-D373 PolarHBondContact O-N 2.77Å; D370-L374 PolarHBondContact O-N 3.4Å | ||
| 371 | L | 78.8 | Confident | 70.9 | Confident | 128 Ų | 128 | 122.5 Ų | 122.5 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.1 | -20.4 | 176.4 | -66.9 | 177.2 | 0 | 0 | 0 | 112.6 | E369 R375 L382 | E369-L371 PolarHBondContact O-N 3.01Å; L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 3.29Å; L371-L382 HydrophobicContact CD2-CD1 3.82Å |
| 372 | N | 79.8 | Confident | 70.8 | Confident | 72 Ų | 72 | 118 Ų | 118 | 39% | 0.385 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.5 | -45.7 | 169.6 | 177.9 | 71.4 | 0 | 0 | 0 | 111.7 | D370 R375 M376 | D370-N372 PolarHBondContact O-N 3.35Å; N372-R375 CarbonylContact O-C 3.52Å; N372-R375 WeakPolarHBondContact O-CA 3.39Å; N372-R375 WeakPolarHBondContact O-CB 3.42Å; N372-R375 PolarHBondContact O-N 3.28Å; N372-R375 VanDerWaalsContact O-N 3.15Å; N372-R375 PolarHBondContact OD1-NH2 3.27Å; N372-M376 WeakPolarHBondContact O-CG 3.4Å; N372-M376 PolarHBondContact O-N 3.09Å |
| 373 | D | 85.6 | Confident | 70.8 | Confident | 81 Ų | 81 | 116.9 Ų | 116.9 | 43% | 0.433 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.9 | -43.1 | -172.2 | -64.5 | -1.3 | 0 | 0 | 0 | 110.1 | D370 R375 M376 E377 | D370-D373 HydrophobicContact CB-CB 4.29Å; D370-D373 PolarHBondContact O-N 2.77Å; D373-R375 PolarHBondContact O-N 3.08Å; D373-M376 CarbonylContact O-C 3.59Å; D373-M376 WeakPolarHBondContact O-CA 3.25Å; D373-M376 WeakPolarHBondContact O-CB 3.36Å; D373-M376 PolarHBondContact O-N 3.04Å; D373-E377 WeakPolarHBondContact O-CG 3.31Å; D373-E377 PolarHBondContact O-N 3.5Å |
| 374 | L | 78.6 | Confident | 70.6 | Confident | 28 Ų | 28 | 115.8 Ų | 115.8 | 15% | 0.147 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -55.8 | -34.2 | 168.5 | -71.2 | 169.2 | 0 | 0 | 0 | 112.6 | E369 D370 G378 V379 L382 | E369-L374 HydrophobicContact CB-CD1 4.02Å; E369-L374 HydrophobicContact CB-CD2 4.4Å; E369-L374 HydrophobicContact CB-CG 4.1Å; D370-L374 PolarHBondContact O-N 3.4Å; L374-G378 PolarHBondContact O-N 3.08Å; L374-V379 HydrophobicContact CB-CB 4.39Å; L374-V379 HydrophobicContact CB-CG2 4.49Å; L374-V379 HydrophobicContact CD2-CG2 4.3Å; L374-V379 WeakPolarHBondContact O-CA 3.38Å; L374-V379 WeakPolarHBondContact O-CB 3.46Å; L374-V379 WeakPolarHBondContact O-CG2 3.33Å; L374-V379 PolarHBondContact O-N 2.98Å; L374-L382 HydrophobicContact CB-CD1 4.33Å; L374-L382 HydrophobicContact CD1-CD1 4.1Å |
| 375 | R | 84 | Confident | 70.1 | Confident | 162 Ų | 162 | 117.6 Ų | 117.6 | 61% | 0.611 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.3 | -38.2 | 174 | 173.8 | -178.1 | 67.3 | -160.3 | 3.5 | 111.9 | L371 N372 D373 E377 G378 | L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 3.29Å; N372-R375 CarbonylContact O-C 3.52Å; N372-R375 WeakPolarHBondContact O-CA 3.39Å; N372-R375 WeakPolarHBondContact O-CB 3.42Å; N372-R375 PolarHBondContact O-N 3.28Å; N372-R375 VanDerWaalsContact O-N 3.15Å; N372-R375 PolarHBondContact OD1-NH2 3.27Å; D373-R375 PolarHBondContact O-N 3.08Å; R375-E377 VanDerWaalsContact C-N 3.29Å; R375-G378 PolarHBondContact O-N 2.85Å; R375-G378 VanDerWaalsContact O-N 3.08Å |
| 376 | M | 78.2 | Confident | 69.7 | Low | 149 Ų | 149 | 113.2 Ų | 113.2 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68 | -29.2 | 174.2 | -66.1 | -58 | -68.5 | 0 | 0 | 112.2 | N372 D373 G378 | N372-M376 WeakPolarHBondContact O-CG 3.4Å; N372-M376 PolarHBondContact O-N 3.09Å; D373-M376 CarbonylContact O-C 3.59Å; D373-M376 WeakPolarHBondContact O-CA 3.25Å; D373-M376 WeakPolarHBondContact O-CB 3.36Å; D373-M376 PolarHBondContact O-N 3.04Å; M376-G378 PolarHBondContact O-N 3.18Å |
| 377 | E | 81.8 | Confident | 68.8 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 0 | 169.7 | -67.6 | -177.2 | 178.8 | 0 | 0 | 113.8 | D373 R375 | D373-E377 WeakPolarHBondContact O-CG 3.31Å; D373-E377 PolarHBondContact O-N 3.5Å; R375-E377 VanDerWaalsContact C-N 3.29Å |
| 378 | G | 76.6 | Confident | 68.8 | Low | 46 Ų | 46 | 112.4 Ų | 112.4 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85 | 12.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L374 R375 M376 T380 | L374-G378 PolarHBondContact O-N 3.08Å; R375-G378 PolarHBondContact O-N 2.85Å; R375-G378 VanDerWaalsContact O-N 3.08Å; M376-G378 PolarHBondContact O-N 3.18Å; G378-T380 VanDerWaalsContact C-N 3.31Å; G378-T380 PolarHBondContact O-N 3.17Å |
| 379 | V | 75.9 | Confident | 67.3 | Low | 56 Ų | 56 | 114.3 Ų | 114.3 | 34% | 0.339 | 64% | 0.635 | S | S | . | * | trans | -73.9 | 83.2 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | L374 L382 | L374-V379 HydrophobicContact CB-CB 4.39Å; L374-V379 HydrophobicContact CB-CG2 4.49Å; L374-V379 HydrophobicContact CD2-CG2 4.3Å; L374-V379 WeakPolarHBondContact O-CA 3.38Å; L374-V379 WeakPolarHBondContact O-CB 3.46Å; L374-V379 WeakPolarHBondContact O-CG2 3.33Å; L374-V379 PolarHBondContact O-N 2.98Å; V379-L382 HydrophobicContact CG1-CD1 4.38Å; V379-L382 HydrophobicContact CG1-CD2 4.2Å; V379-L382 HydrophobicContact CG1-CG 3.95Å | ||
| 380 | T | 67.8 | Low | 65.9 | Low | 129 Ų | 129 | 113.9 Ų | 113.9 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | trans | -83.5 | -7.6 | -174.7 | 49.5 | 0 | 0 | 0 | 0 | 115 | G378 | G378-T380 VanDerWaalsContact C-N 3.31Å; G378-T380 PolarHBondContact O-N 3.17Å | ||
| 381 | T | 60.9 | Low | 64.5 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | -116.6 | 45.5 | -174 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 382 | L | 58.5 | Low | 62.6 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 47% | 0.466 | 66% | 0.656 | S | S | . | * | trans | -86.6 | 107.6 | 163.1 | -65 | 176.3 | 0 | 0 | 0 | 109 | L371 L374 V379 P384 | L371-L382 HydrophobicContact CD2-CD1 3.82Å; L374-L382 HydrophobicContact CB-CD1 4.33Å; L374-L382 HydrophobicContact CD1-CD1 4.1Å; V379-L382 HydrophobicContact CG1-CD1 4.38Å; V379-L382 HydrophobicContact CG1-CD2 4.2Å; V379-L382 HydrophobicContact CG1-CG 3.95Å; L382-P384 WeakPolarHBondContact O-CD 3.29Å | ||
| 383 | V | 60.2 | Low | 61 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | trans | -67.5 | 127.3 | 163.6 | 177.9 | 0 | 0 | 0 | 0 | 107 | S385 | V383-S385 VanDerWaalsContact C-N 3.28Å; V383-S385 PolarHBondContact O-N 3.48Å | ||
| 384 | P | 59.1 | Low | 58.7 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | -65 | 87.9 | 174.6 | -21.6 | 34.2 | 0 | 0 | 0 | 110.5 | L382 G386 | L382-P384 WeakPolarHBondContact O-CD 3.29Å; P384-G386 PolarHBondContact O-N 3.06Å | ||
| 385 | S | 50.5 | Low | 57 | Low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | -78.2 | 71.4 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | V383 S387 | V383-S385 VanDerWaalsContact C-N 3.28Å; V383-S385 PolarHBondContact O-N 3.48Å; S385-S387 PolarHBondContact O-N 3.03Å | ||
| 386 | G | 48.8 | Very low | 54.8 | Low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | -65.8 | 89.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | P384 K388 | P384-G386 PolarHBondContact O-N 3.06Å; G386-K388 PolarHBondContact O-N 3.26Å | ||
| 387 | S | 43.2 | Very low | 53 | Low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | -74.4 | 113.9 | 154.9 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | S385 F389 | S385-S387 PolarHBondContact O-N 3.03Å; S387-F389 VanDerWaalsContact C-N 3.26Å; S387-F389 PolarHBondContact O-N 2.77Å | ||
| 388 | K | 55.7 | Low | 51.3 | Low | 200 Ų | 200 | 122.9 Ų | 122.9 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -74.2 | 82.2 | 172.6 | -70.8 | -168.4 | 176.7 | -171.9 | 0 | 109.5 | G386 | G386-K388 PolarHBondContact O-N 3.26Š| ||
| 389 | F | 39.4 | Very low | 49.6 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | trans | -69.7 | 131.5 | 162.4 | -168.3 | -108.9 | 0 | 0 | 0 | 108.7 | S387 | S387-F389 VanDerWaalsContact C-N 3.26Å; S387-F389 PolarHBondContact O-N 2.77Å | ||
| 390 | N | 41.3 | Very low | 48.2 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -71.2 | 143.5 | -177.5 | -67 | -76.3 | 0 | 0 | 0 | 109.8 | G392 | N390-G392 PolarHBondContact O-N 2.6Š| ||
| 391 | Q | 50.1 | Low | 47.1 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 94% | 0.944 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 78.1 | 169.8 | -75.5 | 179.1 | -20.9 | 0 | 0 | 110.5 | R393 | Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.47Å; Q391-R393 VanDerWaalsContact O-N 3.12Å | ||
| 392 | G | 39.1 | Very low | 46.7 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -77 | 82.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | N390 P394 | N390-G392 PolarHBondContact O-N 2.6Å; G392-P394 VanDerWaalsContact O-CD 3.23Å; G392-P394 WeakPolarHBondContact O-CD 3.28Å | ||
| 393 | R | 45.9 | Very low | 46.5 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 73% | 0.725 | 76% | 0.763 | S | S | * | * | trans | -53.8 | 115.2 | 177.1 | 178.5 | -169.3 | -126.8 | -90.3 | 0.5 | 111.8 | Q391 T395 | Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.47Å; Q391-R393 VanDerWaalsContact O-N 3.12Å; R393-T395 WeakPolarHBondContact CD-OG1 3.45Å; R393-T395 PolarHBondContact NH1-OG1 2.96Å; R393-T395 PolarHBondContact O-N 2.97Å | ||
| 394 | P | 37 | Very low | 46.2 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 111.4 | 149.1 | 4 | 15.9 | 0 | 0 | 0 | 106.1 | G392 Y396 | G392-P394 VanDerWaalsContact O-CD 3.23Å; G392-P394 WeakPolarHBondContact O-CD 3.28Å; P394-Y396 VanDerWaalsContact C-N 3.35Å; P394-Y396 PolarHBondContact O-N 3.48Å; P394-Y396 VanDerWaalsContact O-N 3.09Å | ||
| 395 | T | 43.3 | Very low | 46.2 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 56% | 0.564 | 75% | 0.749 | S | S | * | * | trans | -74.4 | 98.3 | 164.3 | -60.4 | 0 | 0 | 0 | 0 | 106.2 | R393 | R393-T395 WeakPolarHBondContact CD-OG1 3.45Å; R393-T395 PolarHBondContact NH1-OG1 2.96Å; R393-T395 PolarHBondContact O-N 2.97Å | ||
| 396 | Y | 38.6 | Very low | 46.9 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51 | 129.9 | 158.8 | -74.1 | -89 | 0 | 0 | 0 | 107.4 | P394 A398 | P394-Y396 VanDerWaalsContact C-N 3.35Å; P394-Y396 PolarHBondContact O-N 3.48Å; P394-Y396 VanDerWaalsContact O-N 3.09Å; Y396-A398 PolarHBondContact O-N 3.45Å |
| 397 | P | 40.2 | Very low | 47.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.8 | 166.4 | 26.7 | -32.2 | 0 | 0 | 0 | 107 | E399 | P397-E399 PolarHBondContact O-N 3.2Š|
| 398 | A | 45 | Very low | 49.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y396 | Y396-A398 PolarHBondContact O-N 3.45Š|
| 399 | E | 40.9 | Very low | 50.2 | Low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 128.6 | 164.1 | -176.4 | -177.3 | -179.1 | 0 | 0 | 108.1 | P397 Q401 | P397-E399 PolarHBondContact O-N 3.2Å; E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 2.97Å |
| 400 | P | 46.8 | Very low | 51.7 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -70.7 | 88.4 | -178.8 | 28.9 | -33.7 | 0 | 0 | 0 | 108.7 | A402 | P400-A402 PolarHBondContact O-N 3Š| ||
| 401 | Q | 43.8 | Very low | 52.8 | Low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | -63.1 | 87.9 | 169.6 | -68.7 | -171.4 | 0.3 | 0 | 0 | 108.4 | E399 K403 | E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 2.97Å; Q401-K403 PolarHBondContact O-N 3.29Å | ||
| 402 | A | 53.9 | Low | 54.1 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | trans | -64.9 | 85.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P400 V404 | P400-A402 PolarHBondContact O-N 3Å; A402-V404 PolarHBondContact O-N 3.03Å | ||
| 403 | K | 52.8 | Low | 55.6 | Low | 182 Ų | 182 | 121.3 Ų | 121.3 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -72.6 | 79.8 | 179.3 | -170.2 | -179.5 | -179.1 | 177.8 | 0 | 109.1 | Q401 T405 | Q401-K403 PolarHBondContact O-N 3.29Å; K403-T405 VanDerWaalsContact C-N 3.33Å; K403-T405 HydrophobicContact CG-CG2 4.27Å; K403-T405 PolarHBondContact O-N 3.05Å | ||
| 404 | V | 54 | Low | 56.8 | Low | 111 Ų | 111 | 120 Ų | 120 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | trans | -69.3 | 90.9 | 174.6 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | A402 L406 | A402-V404 PolarHBondContact O-N 3.03Å; V404-L406 HydrophobicContact CG1-CD2 3.6Å; V404-L406 HydrophobicContact CG1-CG 3.88Å; V404-L406 PolarHBondContact O-N 2.63Å | ||
| 405 | T | 60 | Low | 58.1 | Low | 99 Ų | 99 | 120.4 Ų | 120.4 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | trans | -74.1 | 103.3 | 170.7 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | K403 | K403-T405 VanDerWaalsContact C-N 3.33Å; K403-T405 HydrophobicContact CG-CG2 4.27Å; K403-T405 PolarHBondContact O-N 3.05Å | ||
| 406 | L | 64.6 | Low | 58.9 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -91.1 | 117.2 | 177.5 | -67.5 | 179.2 | 0 | 0 | 0 | 110.6 | V404 I408 L415 | V404-L406 HydrophobicContact CG1-CD2 3.6Å; V404-L406 HydrophobicContact CG1-CG 3.88Å; V404-L406 PolarHBondContact O-N 2.63Å; L406-I408 PolarHBondContact O-N 2.92Å; L406-L415 HydrophobicContact CB-CD2 3.7Å; L406-L415 HydrophobicContact CD1-CD2 3.91Å; L406-L415 HydrophobicContact CD2-CD2 4.23Å; L406-L415 HydrophobicContact CG-CD2 4.15Å | ||
| 407 | N | 67.1 | Low | 59.3 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86 | 104.8 | -179.3 | -50.4 | -19.2 | 0 | 0 | 0 | 108.5 | Q416 | N407-Q416 PolarHBondContact O-N 2.9Å |
| 408 | I | 73.4 | Confident | 59.4 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 57% | 0.569 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.6 | 179.1 | -59.8 | 169.9 | 0 | 0 | 0 | 109.4 | L406 S410 L415 | L406-I408 PolarHBondContact O-N 2.92Å; I408-S410 PolarHBondContact O-N 3.04Å; I408-L415 HydrophobicContact CD1-CD2 4.17Å; I408-L415 HydrophobicContact CG1-CD2 3.6Å; I408-L415 HydrophobicContact CG1-CG 4.44Å |
| 409 | C | 77.7 | Confident | 59.1 | Low | 36 Ų | 36 | 119 Ų | 119 | 24% | 0.243 | 65% | 0.649 | C | S | . | * | trans | -72.2 | 117.9 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | R411 C412 A413 R414 | C409-R411 PolarHBondContact O-N 3.42Å; C409-C412 PolarHBondContact O-N 3.4Å; C409-C412 VanDerWaalsContact O-N 3.16Å; C409-A413 WeakPolarHBondContact O-CA 3.39Å; C409-A413 PolarHBondContact O-N 2.97Å; C409-R414 PolarHBondContact N-O 3.43Å; C409-R414 VanDerWaalsContact N-O 3.15Å | ||
| 410 | S | 70 | Confident | 59 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.3 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | I408 | I408-S410 PolarHBondContact O-N 3.04Š|
| 411 | R | 64.1 | Low | 58.4 | Low | 220 Ų | 220 | 121.5 Ų | 121.5 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -18.2 | 178.3 | -77 | -172.9 | 168.1 | -165.3 | -4.3 | 115.2 | C409 | C409-R411 PolarHBondContact O-N 3.42Š|
| 412 | C | 78.1 | Confident | 57.8 | Low | 49 Ų | 49 | 122.1 Ų | 122.1 | 33% | 0.331 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.8 | 2.6 | -175.4 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | C409 R414 | C409-C412 PolarHBondContact O-N 3.4Å; C409-C412 VanDerWaalsContact O-N 3.16Å; C412-R414 HydrophobicContact CB-CG 4.42Å; C412-R414 PolarHBondContact O-N 2.97Å |
| 413 | A | 70.4 | Confident | 56.7 | Low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | trans | 54 | 12.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C409 | C409-A413 WeakPolarHBondContact O-CA 3.39Å; C409-A413 PolarHBondContact O-N 2.97Å | ||
| 414 | R | 70.6 | Confident | 55.5 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | trans | -76.3 | 132.9 | 176.9 | -63.4 | -179.2 | 76.3 | -178.6 | 3.2 | 109.6 | C409 C412 | C409-R414 PolarHBondContact N-O 3.43Å; C409-R414 VanDerWaalsContact N-O 3.15Å; C412-R414 HydrophobicContact CB-CG 4.42Å; C412-R414 PolarHBondContact O-N 2.97Å | ||
| 415 | L | 65.2 | Low | 54.4 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.1 | 168.1 | -70.4 | 161.2 | 0 | 0 | 0 | 108.9 | L406 I408 | L406-L415 HydrophobicContact CB-CD2 3.7Å; L406-L415 HydrophobicContact CD1-CD2 3.91Å; L406-L415 HydrophobicContact CD2-CD2 4.23Å; L406-L415 HydrophobicContact CG-CD2 4.15Å; I408-L415 HydrophobicContact CD1-CD2 4.17Å; I408-L415 HydrophobicContact CG1-CD2 3.6Å; I408-L415 HydrophobicContact CG1-CG 4.44Å |
| 416 | Q | 58.9 | Low | 53.1 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 52% | 0.519 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.4 | 167.7 | -169.6 | 170.3 | -0.6 | 0 | 0 | 108.5 | N407 | N407-Q416 PolarHBondContact O-N 2.9Å |
| 417 | G | 47.8 | Very low | 51.3 | Low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | trans | -156.6 | 82.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 418 | D | 41.7 | Very low | 49.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | -97.3 | 102.3 | -179.1 | -43.4 | -24.1 | 0 | 0 | 0 | 106.9 | L420 | D418-L420 PolarHBondContact O-N 2.92Š| ||
| 419 | N | 39.9 | Very low | 48.5 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 90% | 0.904 | 71% | 0.707 | S | S | * | * | trans | -90.2 | 97.5 | 175 | -145.6 | -97 | 0 | 0 | 0 | 108.5 | ||||
| 420 | L | 37.5 | Very low | 46.1 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -103.1 | 144 | 179.3 | -178.1 | 67.4 | 0 | 0 | 0 | 110.1 | D418 | D418-L420 PolarHBondContact O-N 2.92Š| ||
| 421 | E | 36 | Very low | 44.1 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | 97.8 | 122.1 | -175 | -58.4 | 178.1 | 178.8 | 0 | 0 | 111.7 | ||||
| 422 | E | 29.6 | Very low | 42.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | cis | -135.3 | 141.5 | 25.4 | -164.8 | 175.6 | 169.8 | 0 | 0 | 114.1 | ||||
| 423 | R | 31.7 | Very low | 39.8 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -35.7 | 142.7 | 160.7 | -179.7 | -168.2 | -168 | 174.2 | 2.7 | 114 | ||||
| 424 | T | 26.4 | Very low | 38.8 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 58% | 0.583 | 75% | 0.749 | S | S | * | * | 168.6 | 107.4 | 121.3 | -71.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 425 | E | 32.6 | Very low | 36.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | 63 | 150.6 | 146.3 | 84 | -152.6 | 154.3 | 0 | 0 | 125.6 | ||||
| 426 | E | 31 | Very low | 35.2 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 84.7 | 160.3 | -61.1 | -173.9 | 173.7 | 0 | 0 | 122.2 | ||||
| 427 | S | 28.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 149 Ų | 149 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | -177.9 | 130.7 | 121.3 | 34.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 428 | L | 34.2 | Very low | 33 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -110.2 | -175.8 | 171.4 | -71 | 170.8 | 0 | 0 | 0 | 109 | ||||
| 429 | P | 47.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -135.1 | 164.7 | -63.1 | 39.5 | -25.2 | 0 | 0 | 0 | 112.5 | |||||
| 430 | M | 26 | Very low | 33 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -178.6 | 147.9 | 153 | -106.5 | 178.1 | -178.2 | 0 | 0 | 110.5 | ||||
| 431 | L | 28 | Very low | 32.5 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | cis | 180 | 153.9 | -25.3 | -108 | -175.1 | 0 | 0 | 0 | 106 | ||||
| 432 | H | 25.6 | Very low | 32.1 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 71.3 | 102.8 | 161.3 | -53.6 | 149.2 | 0 | 0 | 0 | 119.2 | ||||
| 433 | S | 26.7 | Very low | 31.9 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | 102.9 | 154.1 | 62.7 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 434 | P | 49.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -106.5 | 179.1 | -163.8 | 42.2 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 435 | D | 26 | Very low | 32.5 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -158.6 | 160.6 | 140 | -147.7 | -1.5 | 0 | 0 | 0 | 114.9 | ||||
| 436 | E | 33.2 | Very low | 32.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -83.8 | 161.7 | -174.6 | -59.9 | 176.2 | 58.5 | 0 | 0 | 115.5 | ||||
| 437 | K | 28.3 | Very low | 32.4 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | 167.7 | 157.1 | 105.1 | 61.3 | -148.8 | 164 | -160.4 | 0 | 115.3 | |||||
| 438 | I | 32.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -120.7 | -168.5 | -171.5 | -1 | 175.5 | 0 | 0 | 0 | 109.6 | ||||
| 439 | P | 53.8 | Low | 32.2 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | cis | -127.9 | -166.6 | -48.8 | 36.5 | -18.4 | 0 | 0 | 0 | 113.5 | ||||
| 440 | D | 26.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 72.5 | 151.7 | 158.6 | -58.7 | -27.4 | 0 | 0 | 0 | 118.7 | ||||
| 441 | S | 28.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | -167.4 | 142.1 | 30.8 | -145.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 442 | F | 27.9 | Very low | 31.7 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | 47.8 | 158.3 | 148.7 | -60.2 | -44.4 | 0 | 0 | 0 | 123 | ||||
| 443 | D | 24.7 | Very low | 32.1 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | cis | -176.4 | 174 | -23 | -170.4 | 11.3 | 0 | 0 | 0 | 108.4 | ||||
| 444 | S | 37.1 | Very low | 32.4 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 100.2 | 121 | 161.1 | -47.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 445 | L | 33.4 | Very low | 31.5 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 161.1 | 159 | -117.4 | 167.3 | 0 | 0 | 0 | 109.2 | ||||
| 446 | P | 39.1 | Very low | 31.7 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -140.1 | 154 | 107.1 | 21.5 | -0.2 | 0 | 0 | 0 | 112.2 | |||||
| 447 | E | 23.2 | Very low | 31.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | 84 | 145.3 | 55.2 | -155 | 177.3 | 178.9 | 0 | 0 | 114.8 | |||||
| 448 | T | 27.9 | Very low | 32.3 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 69 | 148.5 | 174.7 | 48.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 449 | E | 30.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | cis | -172.6 | 160.7 | -25 | 63.8 | -163.8 | 157.2 | 0 | 0 | 112.6 | ||||
| 450 | E | 32.7 | Very low | 31.5 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 64 | 148.2 | 148.8 | -62.2 | -89 | 112 | 0 | 0 | 125.5 | ||||
| 451 | A | 29.4 | Very low | 31.9 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 62.5 | 132.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 452 | L | 28.6 | Very low | 32 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | cis | 105.4 | 149.2 | 25.6 | -165.5 | 128.8 | 0 | 0 | 0 | 113.9 | ||||
| 453 | M | 32.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | trans | 90.8 | 123.8 | -173.1 | -51.5 | -168.2 | -62.7 | 0 | 0 | 113.9 | ||||
| 454 | E | 34 | Very low | 32.8 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | 65.8 | 129.1 | 57.5 | -161.7 | 173.5 | -144.6 | 0 | 0 | 110 | |||||
| 455 | E | 31.5 | Very low | 32.4 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | cis | -142 | 170.4 | 20.9 | -145.7 | 176.1 | 153.4 | 0 | 0 | 107.8 | ||||
| 456 | G | 29 | Very low | 32.1 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | 110.8 | 160.5 | 79.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 457 | D | 37.6 | Very low | 31.5 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | 82.3 | 135.4 | 169.2 | -74 | -10.4 | 0 | 0 | 0 | 123 | ||||
| 458 | E | 37.7 | Very low | 32.5 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -123.2 | 173.6 | -166.2 | -61 | 173.3 | 104.5 | 0 | 0 | 112.5 | ||||
| 459 | F | 37 | Very low | 32.5 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 82 | 128.2 | 153.4 | -60.8 | -60.8 | 0 | 0 | 0 | 123.5 | ||||
| 460 | E | 31.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 44.9 | 116.8 | 133.8 | -60.7 | -170.2 | 140 | 0 | 0 | 121.7 | ||||
| 461 | K | 36.5 | Very low | 32.3 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | -161.3 | 136.8 | 108.1 | -117.5 | 160.6 | -175.5 | 159 | 0 | 115 | |||||
| 462 | A | 30.4 | Very low | 32.3 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -84.9 | 148.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 463 | S | 33.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -148.5 | 164 | 152.2 | -162 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 464 | K | 34.3 | Very low | 32.4 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -126.8 | 171.1 | -154.8 | -58.4 | 175.1 | -176.6 | -73.6 | 0 | 113.3 | ||||
| 465 | L | 28.9 | Very low | 32.7 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | 95 | 134.1 | 143.9 | -85.4 | 146.5 | 0 | 0 | 0 | 121.5 | ||||
| 466 | T | 27.3 | Very low | 33 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 89.6 | 119.8 | 144.3 | -60.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 467 | G | 27.5 | Very low | 33.6 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -101.2 | -153.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 468 | P | 43.7 | Very low | 34 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | cis | -129.7 | -172.9 | -0.3 | 42.7 | -26.5 | 0 | 0 | 0 | 113.8 | ||||
| 469 | G | 27.1 | Very low | 34.4 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 141.2 | 96.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 470 | E | 31.1 | Very low | 34.8 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | 50.9 | 122 | 140.4 | -58.1 | -172 | 109.9 | 0 | 0 | 125.6 | ||||
| 471 | A | 28 | Very low | 35.5 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | 64 | 118.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 472 | S | 29.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | -173.2 | 139.4 | 122.7 | -166.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 473 | S | 32.6 | Very low | 36.7 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 42.1 | 104.3 | 147.5 | -167.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 474 | G | 31.9 | Very low | 37.7 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | 67.4 | 124.8 | 99.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 475 | A | 38.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 93% | 0.934 | 73% | 0.732 | S | S | * | * | trans | 77.6 | 122.3 | 161 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 476 | G | 39.2 | Very low | 39.9 | Very low | 58 Ų | 58 | 116 Ų | 116 | 60% | 0.598 | 71% | 0.709 | S | S | * | * | trans | 157.9 | -22.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | S478 | G476-S478 PolarHBondContact O-N 3.37Š| ||
| 477 | H | 41.1 | Very low | 41.4 | Very low | 162 Ų | 162 | 116.3 Ų | 116.3 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 3.9 | -163 | -82 | -101.4 | 0 | 0 | 0 | 117.5 | ||
| 478 | S | 46.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -11.7 | -175.1 | -163.3 | 0 | 0 | 0 | 0 | 115.6 | G476 | G476-S478 PolarHBondContact O-N 3.37Š|
| 479 | L | 44.8 | Very low | 43.4 | Very low | 148 Ų | 148 | 114.8 Ų | 114.8 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -12.7 | -174.6 | -151.4 | 83.8 | 0 | 0 | 0 | 113.9 | ||
| 480 | K | 46.1 | Very low | 45 | Very low | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -39.9 | -175.8 | -71.3 | -173 | 174.5 | -175.6 | 0 | 113.1 | Y482 M483 E484 | K480-Y482 VanDerWaalsContact C-N 3.32Å; K480-Y482 PolarHBondContact O-N 2.95Å; K480-M483 PolarHBondContact O-N 3.37Å; K480-E484 PolarHBondContact O-N 3.23Å |
| 481 | N | 47 | Very low | 46.2 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -56.2 | -46.2 | 179.5 | -64.6 | 2.5 | 0 | 0 | 0 | 111.7 | M483 E484 E485 | N481-M483 PolarHBondContact O-N 3.47Å; N481-E484 PolarHBondContact O-N 3.33Å; N481-E485 VanDerWaalsContact O-CG 3.31Å; N481-E485 WeakPolarHBondContact O-CG 3.47Å; N481-E485 PolarHBondContact O-N 2.97Å; N481-E485 VanDerWaalsContact O-OE1 3.11Å |
| 482 | Y | 42 | Very low | 47.4 | Very low | 178 Ų | 178 | 115.4 Ų | 115.4 | 70% | 0.698 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -59.1 | -18.6 | -176.3 | -166.2 | -93.3 | 0 | 0 | 0 | 114.8 | K480 E485 | K480-Y482 VanDerWaalsContact C-N 3.32Å; K480-Y482 PolarHBondContact O-N 2.95Å; Y482-E485 VanDerWaalsContact CA-OE1 3.31Å; Y482-E485 WeakPolarHBondContact CA-OE1 3.34Å; Y482-E485 PolarHBondContact N-OE1 3.42Å |
| 483 | M | 48.9 | Very low | 48.6 | Very low | 119 Ų | 119 | 117 Ų | 117 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -94 | -33.6 | 175.2 | -65.8 | -100.8 | 58.5 | 0 | 0 | 112.2 | K480 N481 D486 E487 | K480-M483 PolarHBondContact O-N 3.37Å; N481-M483 PolarHBondContact O-N 3.47Å; M483-D486 PolarHBondContact O-N 2.91Å; M483-E487 PolarHBondContact O-N 3.18Å |
| 484 | E | 54.8 | Low | 49.4 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.5 | -34.7 | -179.8 | -171.7 | 172.1 | -171 | 0 | 0 | 112 | K480 N481 D486 S488 | K480-E484 PolarHBondContact O-N 3.23Å; N481-E484 PolarHBondContact O-N 3.33Å; E484-D486 VanDerWaalsContact C-N 3.34Å; E484-S488 WeakPolarHBondContact O-CB 3.31Å; E484-S488 PolarHBondContact O-N 3.46Å; E484-S488 PolarHBondContact O-OG 3.11Å |
| 485 | E | 54.2 | Low | 50.1 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 49% | 0.486 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.6 | -28.8 | 173.2 | 63.1 | -157.5 | 109.5 | 0 | 0 | 112.5 | N481 Y482 S488 L489 | N481-E485 VanDerWaalsContact O-CG 3.31Å; N481-E485 WeakPolarHBondContact O-CG 3.47Å; N481-E485 PolarHBondContact O-N 2.97Å; N481-E485 VanDerWaalsContact O-OE1 3.11Å; Y482-E485 VanDerWaalsContact CA-OE1 3.31Å; Y482-E485 WeakPolarHBondContact CA-OE1 3.34Å; Y482-E485 PolarHBondContact N-OE1 3.42Å; E485-S488 PolarHBondContact O-N 3.07Å; E485-L489 WeakPolarHBondContact O-CB 3.28Å; E485-L489 WeakPolarHBondContact O-CD1 3.45Å; E485-L489 VanDerWaalsContact O-CG 3.25Å; E485-L489 WeakPolarHBondContact O-CG 3.38Å; E485-L489 PolarHBondContact O-N 3.35Å |
| 486 | D | 56 | Low | 50.5 | Low | 61 Ų | 61 | 122.5 Ų | 122.5 | 33% | 0.326 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.9 | -35.3 | 175.5 | -166.3 | 66.5 | 0 | 0 | 0 | 112.9 | M483 E484 K490 | M483-D486 PolarHBondContact O-N 2.91Å; E484-D486 VanDerWaalsContact C-N 3.34Å; D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 2.87Å; D486-K490 VanDerWaalsContact O-N 3.12Å; D486-K490 WeakPolarHBondContact OD2-CE 3.43Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 3.34Å |
| 487 | E | 57.3 | Low | 50.9 | Low | 134 Ų | 134 | 126.7 Ų | 126.7 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.9 | -40.7 | 167.7 | -72.8 | -168.1 | 131.6 | 0 | 0 | 111.6 | M483 L489 K490 Q491 | M483-E487 PolarHBondContact O-N 3.18Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3.18Å; E487-K490 WeakPolarHBondContact O-CB 3.42Å; E487-K490 PolarHBondContact O-N 2.97Å; E487-Q491 PolarHBondContact O-N 3.25Å |
| 488 | S | 57.7 | Low | 51.4 | Low | 64 Ų | 64 | 123.8 Ų | 123.8 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.1 | -39.1 | 176 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | E484 E485 Q491 L492 | E484-S488 WeakPolarHBondContact O-CB 3.31Å; E484-S488 PolarHBondContact O-N 3.46Å; E484-S488 PolarHBondContact O-OG 3.11Å; E485-S488 PolarHBondContact O-N 3.07Å; S488-Q491 WeakPolarHBondContact O-CB 3.2Å; S488-Q491 PolarHBondContact O-N 2.97Å; S488-L492 PolarHBondContact O-N 2.99Å; S488-L492 VanDerWaalsContact O-N 3.09Å |
| 489 | L | 56.9 | Low | 51.2 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 56% | 0.56 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.2 | -36.8 | 174.5 | -77.5 | 163.1 | 0 | 0 | 0 | 112.4 | E485 E487 L492 Q493 | E485-L489 WeakPolarHBondContact O-CB 3.28Å; E485-L489 WeakPolarHBondContact O-CD1 3.45Å; E485-L489 VanDerWaalsContact O-CG 3.25Å; E485-L489 WeakPolarHBondContact O-CG 3.38Å; E485-L489 PolarHBondContact O-N 3.35Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3.18Å; L489-L492 PolarHBondContact O-N 3.4Å; L489-Q493 PolarHBondContact O-N 2.84Å |
| 490 | K | 59.6 | Low | 51.3 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 49% | 0.487 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67 | -38 | 171.9 | -73.7 | 161.5 | -177.7 | 156.2 | 0 | 112 | D486 E487 L492 Q493 V494 | D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 2.87Å; D486-K490 VanDerWaalsContact O-N 3.12Å; D486-K490 WeakPolarHBondContact OD2-CE 3.43Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 3.34Å; E487-K490 WeakPolarHBondContact O-CB 3.42Å; E487-K490 PolarHBondContact O-N 2.97Å; K490-L492 VanDerWaalsContact C-N 3.28Å; K490-L492 PolarHBondContact O-N 2.86Å; K490-Q493 PolarHBondContact O-N 3.28Å; K490-V494 PolarHBondContact O-N 2.94Å |
| 491 | Q | 56.6 | Low | 51 | Low | 146 Ų | 146 | 129.8 Ų | 129.8 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.1 | -39.2 | 173.6 | -144 | 80.6 | 21.4 | 0 | 0 | 111.6 | E487 S488 | E487-Q491 PolarHBondContact O-N 3.25Å; S488-Q491 WeakPolarHBondContact O-CB 3.2Å; S488-Q491 PolarHBondContact O-N 2.97Å |
| 492 | L | 52.9 | Low | 50.6 | Low | 123 Ų | 123 | 130 Ų | 130 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.4 | -32.5 | 175.8 | -79.4 | 161 | 0 | 0 | 0 | 113.3 | S488 L489 K490 V494 V495 | S488-L492 PolarHBondContact O-N 2.99Å; S488-L492 VanDerWaalsContact O-N 3.09Å; L489-L492 PolarHBondContact O-N 3.4Å; K490-L492 VanDerWaalsContact C-N 3.28Å; K490-L492 PolarHBondContact O-N 2.86Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 2.82Å; L492-V495 PolarHBondContact O-N 3.07Å |
| 493 | Q | 54.6 | Low | 50.4 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.6 | -26.1 | 176.1 | -93.2 | -178.4 | -17.4 | 0 | 0 | 113.8 | L489 K490 V495 H496 | L489-Q493 PolarHBondContact O-N 2.84Å; K490-Q493 PolarHBondContact O-N 3.28Å; Q493-V495 PolarHBondContact O-N 2.81Å; Q493-H496 PolarHBondContact O-N 2.98Å |
| 494 | V | 50.3 | Low | 50.1 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -19.9 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 112.7 | K490 L492 | K490-V494 PolarHBondContact O-N 2.94Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 2.82Å |
| 495 | V | 47.1 | Very low | 49.6 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 70% | 0.703 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12 | -175.7 | -173 | 0 | 0 | 0 | 0 | 112.7 | L492 Q493 Q497 | L492-V495 PolarHBondContact O-N 3.07Å; Q493-V495 PolarHBondContact O-N 2.81Å; V495-Q497 PolarHBondContact O-N 3.47Å |
| 496 | H | 46.1 | Very low | 49.2 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | trans | -85.7 | 50.8 | -176.9 | -129.5 | -74.7 | 0 | 0 | 0 | 113.8 | Q493 | Q493-H496 PolarHBondContact O-N 2.98Š| ||
| 497 | Q | 48 | Very low | 48.4 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -65.2 | 136.4 | 165.8 | -70.6 | -71.5 | -8.7 | 0 | 0 | 109.8 | V495 W499 | V495-Q497 PolarHBondContact O-N 3.47Å; Q497-W499 PolarHBondContact O-N 3.08Å | ||
| 498 | P | 51.3 | Low | 47.5 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | trans | -67.2 | 129.7 | 171 | 28.2 | -32.5 | 0 | 0 | 0 | 109.5 | I500 | P498-I500 PolarHBondContact O-N 2.8Š| ||
| 499 | W | 43.8 | Very low | 46.5 | Very low | 252 Ų | 252 | 136.9 Ų | 136.9 | 96% | 0.955 | 73% | 0.732 | S | S | * | * | trans | -65 | 106.4 | 174.9 | -72.8 | 79.7 | 0 | 0 | 0 | 109.7 | Q497 L501 | Q497-W499 PolarHBondContact O-N 3.08Å; W499-L501 PolarHBondContact O-N 2.8Å | ||
| 500 | I | 45.5 | Very low | 45.6 | Very low | 152 Ų | 152 | 138 Ų | 138 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -77.5 | 114 | 169 | -58.5 | 175.1 | 0 | 0 | 0 | 106.7 | P498 | P498-I500 PolarHBondContact O-N 2.8Š| ||
| 501 | L | 39.4 | Very low | 44.7 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -59.4 | 136.8 | 170.3 | -89.1 | 85.8 | 0 | 0 | 0 | 109.6 | W499 S503 | W499-L501 PolarHBondContact O-N 2.8Å; L501-S503 PolarHBondContact O-N 3.17Å | ||
| 502 | P | 38.7 | Very low | 43.7 | Very low | 98 Ų | 98 | 139 Ų | 139 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -56.8 | 127.5 | 158.6 | -19 | 32.1 | 0 | 0 | 0 | 109 | D504 | P502-D504 PolarHBondContact O-N 3.38Š| ||
| 503 | S | 39 | Very low | 43 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 80.3 | 169.6 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | L501 T505 | L501-S503 PolarHBondContact O-N 3.17Å; S503-T505 VanDerWaalsContact C-N 3.3Å; S503-T505 PolarHBondContact O-N 2.65Å | ||
| 504 | D | 41.5 | Very low | 42 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 91.2 | 172.4 | -72.8 | -26.3 | 0 | 0 | 0 | 109.4 | P502 | P502-D504 PolarHBondContact O-N 3.38Š| ||
| 505 | T | 44.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 100 | 173.5 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | S503 | S503-T505 VanDerWaalsContact C-N 3.3Å; S503-T505 PolarHBondContact O-N 2.65Å | ||
| 506 | E | 45.7 | Very low | 40.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -141.6 | 140 | 156.9 | 66.4 | 175.3 | 110.2 | 0 | 0 | 113.3 | ||||
| 507 | S | 39.7 | Very low | 40 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 64.3 | 140.6 | 178.9 | -124.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 508 | E | 39.8 | Very low | 39.3 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | cis | -142.2 | 131.9 | 2.5 | -171.2 | 175 | 118.3 | 0 | 0 | 109 | ||||
| 509 | G | 35.8 | Very low | 38.7 | Very low | 78 Ų | 78 | 149.1 Ų | 149.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -85 | 115.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 510 | V | 37.3 | Very low | 38.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -93.5 | 110.5 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | A512 | V510-A512 PolarHBondContact O-N 2.79Š| ||
| 511 | E | 41.8 | Very low | 37.8 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -55.3 | 124.8 | 173.3 | -76 | -97.7 | 133.1 | 0 | 0 | 111.7 | ||||
| 512 | A | 35.1 | Very low | 37.8 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -141.4 | 105.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108.8 | V510 Q514 | V510-A512 PolarHBondContact O-N 2.79Å; A512-Q514 PolarHBondContact O-N 3.34Å | ||
| 513 | E | 39.3 | Very low | 37.9 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -55.7 | 121.1 | 173.9 | -66.8 | 175.7 | 88.8 | 0 | 0 | 111 | ||||
| 514 | Q | 33.3 | Very low | 37.8 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -146.9 | 107.8 | 143.4 | -126.4 | 172.1 | 35 | 0 | 0 | 114.7 | A512 K516 | A512-Q514 PolarHBondContact O-N 3.34Å; Q514-K516 PolarHBondContact O-N 2.82Å | ||
| 515 | E | 31.1 | Very low | 38 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | trans | -56.7 | 120.1 | 168.1 | -176.7 | -147.8 | -173.5 | 0 | 0 | 112.3 | ||||
| 516 | K | 33.5 | Very low | 38.1 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | -178.5 | 147.5 | 121.9 | -98 | 147.8 | -164.6 | 159.2 | 0 | 115.7 | Q514 | Q514-K516 PolarHBondContact O-N 2.82Š| |||
| 517 | R | 36.8 | Very low | 38.1 | Very low | 230 Ų | 230 | 140 Ų | 140 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -56.4 | 134.2 | 177.6 | -61.3 | 169.4 | 167.7 | 92.6 | -1.7 | 113.2 | ||||
| 518 | S | 32.4 | Very low | 38.7 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -147.9 | 120.8 | 138.2 | -79.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 519 | A | 38.9 | Very low | 39.2 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -94.2 | 94.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L521 | A519-L521 PolarHBondContact O-N 2.79Š| ||
| 520 | D | 34 | Very low | 39.7 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -75.5 | 93.6 | 173.6 | -87 | -19.9 | 0 | 0 | 0 | 110.3 | L522 | D520-L522 PolarHBondContact O-N 3.13Š| ||
| 521 | L | 36.9 | Very low | 40 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | -56.6 | 104.7 | 155.6 | -86.8 | 157.1 | 0 | 0 | 0 | 108.4 | A519 L523 | A519-L521 PolarHBondContact O-N 2.79Å; L521-L523 PolarHBondContact O-N 2.73Å | ||
| 522 | L | 39.7 | Very low | 40 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -61.9 | 83.8 | 167.3 | -99.9 | 158.2 | 0 | 0 | 0 | 109.8 | D520 C524 | D520-L522 PolarHBondContact O-N 3.13Å; L522-C524 VanDerWaalsContact C-N 3.35Å; L522-C524 PolarHBondContact O-N 2.92Å | ||
| 523 | L | 39.6 | Very low | 40.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -66.9 | 92 | 171.1 | -93.2 | 153.8 | 0 | 0 | 0 | 108.8 | L521 V525 | L521-L523 PolarHBondContact O-N 2.73Å; L523-V525 PolarHBondContact O-N 3.08Å | ||
| 524 | C | 38.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -56.8 | 106.6 | 169.5 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | L522 P526 | L522-C524 VanDerWaalsContact C-N 3.35Å; L522-C524 PolarHBondContact O-N 2.92Å; C524-P526 WeakPolarHBondContact O-CD 3.18Å | ||
| 525 | V | 45.9 | Very low | 40.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.9 | 167 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | L523 C527 | L523-V525 PolarHBondContact O-N 3.08Å; V525-C527 PolarHBondContact O-N 2.74Å |
| 526 | P | 46.4 | Very low | 40.9 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72 | 121.5 | -176.1 | 27.1 | -32.8 | 0 | 0 | 0 | 110.7 | C524 S528 | C524-P526 WeakPolarHBondContact O-CD 3.18Å; P526-S528 PolarHBondContact O-N 3.41Å |
| 527 | C | 44.8 | Very low | 41 | Very low | 40 Ų | 40 | 124.6 Ų | 124.6 | 27% | 0.27 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 120.9 | 169.4 | -177 | 0 | 0 | 0 | 0 | 109.5 | V525 S529 C530 | V525-C527 PolarHBondContact O-N 2.74Å; C527-S529 PolarHBondContact O-N 3Å; C527-C530 PolarHBondContact O-N 3.34Å |
| 528 | S | 52.3 | Low | 40.9 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -5.9 | -179 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | P526 | P526-S528 PolarHBondContact O-N 3.41Š|
| 529 | S | 50.6 | Low | 41.3 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 50% | 0.503 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | 4.8 | -178.5 | -169.5 | 0 | 0 | 0 | 0 | 114 | C527 | C527-S529 PolarHBondContact O-N 3Š|
| 530 | C | 45.4 | Very low | 41.4 | Very low | 47 Ų | 47 | 127.6 Ų | 127.6 | 32% | 0.318 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -107.9 | 113.2 | 177.2 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | C527 T532 | C527-C530 PolarHBondContact O-N 3.34Å; C530-T532 PolarHBondContact O-N 2.79Å |
| 531 | P | 44.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -64.1 | 135.2 | 173.3 | 26.9 | -32.9 | 0 | 0 | 0 | 110.3 | L533 | P531-L533 PolarHBondContact O-N 3.39Š| ||
| 532 | T | 42.1 | Very low | 42.1 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -66.4 | 99.2 | -175.2 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | C530 V534 | C530-T532 PolarHBondContact O-N 2.79Å; T532-V534 PolarHBondContact O-N 3.42Å | ||
| 533 | L | 40.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -68.5 | 103.4 | 164.3 | -111.2 | 171.2 | 0 | 0 | 0 | 108.5 | P531 Y535 | P531-L533 PolarHBondContact O-N 3.39Å; L533-Y535 PolarHBondContact O-N 3.42Å | ||
| 534 | V | 44.1 | Very low | 42.5 | Very low | 110 Ų | 110 | 120 Ų | 120 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | -63.9 | 113.1 | 171.1 | 177 | 0 | 0 | 0 | 0 | 107.8 | T532 | T532-V534 PolarHBondContact O-N 3.42Š| ||
| 535 | Y | 34 | Very low | 42.8 | Very low | 215 Ų | 215 | 120.7 Ų | 120.7 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -87.6 | 108.7 | 172.2 | -164.4 | -103.8 | 0 | 0 | 0 | 109.1 | L533 G537 | L533-Y535 PolarHBondContact O-N 3.42Å; Y535-G537 WeakPolarHBondContact CD1-O 3.41Å; Y535-G537 WeakPolarHBondContact CE1-O 3.44Å | ||
| 536 | S | 38.6 | Very low | 42.5 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -96.8 | 130.5 | 175.7 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 537 | G | 35.6 | Very low | 42.2 | Very low | 48 Ų | 48 | 119.8 Ų | 119.8 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | trans | 81.4 | 147.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y535 | Y535-G537 WeakPolarHBondContact CD1-O 3.41Å; Y535-G537 WeakPolarHBondContact CE1-O 3.44Å | ||
| 538 | L | 34.3 | Very low | 42 | Very low | 247 Ų | 247 | 127 Ų | 127 | 100% | 1.293 | 75% | 0.751 | S | S | * | * | cis | -144.6 | 0 | 4.2 | -115.8 | 169 | 0 | 0 | 0 | 109.6 |
Retrieved 538 of 538 residues in 104.3 ms
(Link to these results)