| 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 | 33.7 | Very low | 37.9 | Very low | 239 Ų | 239 | 126.9 Ų | 126.9 | 100% | 1.177 | 83% | 0.833 | S | S | * | * | 0 | 109.4 | 0 | -67.5 | 163.5 | -179.7 | 0 | 0 | 105.6 | |||||
| 2 | A | 36.9 | Very low | 37.8 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 84% | 0.838 | S | S | * | * | 84.3 | 137.1 | 67.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | T | 40.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 137 Ų | 137 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | cis | -166.5 | 167.6 | -4.6 | 12 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | G | 34.1 | Very low | 37.5 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | 101.7 | 111.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | A | 38 | Very low | 38.4 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | cis | 63.2 | 96.4 | 27.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 6 | N | 40.2 | Very low | 38.1 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -141.9 | 136.7 | 156.7 | -163 | -5.6 | 0 | 0 | 0 | 108.3 | ||||
| 7 | A | 37.9 | Very low | 38.3 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 63% | 0.628 | 83% | 0.825 | S | S | * | * | trans | -158.2 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | T | 35.7 | Very low | 38.1 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | 82.1 | 146.8 | 175.5 | -39.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 9 | P | 47.2 | Very low | 38.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | cis | -113.9 | 146.7 | -2 | 11.6 | 11.8 | 0 | 0 | 0 | 115.6 | ||||
| 10 | L | 41 | Very low | 38.1 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 97% | 0.969 | 82% | 0.816 | S | S | * | * | trans | -89.3 | 141.6 | 141.7 | -107.8 | 167.8 | 0 | 0 | 0 | 108.7 | ||||
| 11 | G | 31.8 | Very low | 38.2 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | 173.2 | 148.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 12 | K | 37 | Very low | 38.2 | Very low | 206 Ų | 206 | 130.7 Ų | 130.7 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | cis | -140.6 | 138.9 | -3.6 | -67.8 | 174.6 | 178.4 | 173.1 | 0 | 109 | ||||
| 13 | L | 38 | Very low | 38.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | -136.6 | 115.4 | 168.4 | -84.5 | 174.4 | 0 | 0 | 0 | 109.8 | ||||
| 14 | H | 33.6 | Very low | 37.8 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -170.8 | 154.5 | 174.6 | -143.8 | -122.3 | 0 | 0 | 0 | 109.5 | ||||
| 15 | P | 49.9 | Very low | 38.1 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 58% | 0.578 | 80% | 0.801 | S | S | * | * | cis | -131.1 | 178.7 | -47.1 | 40 | -29.5 | 0 | 0 | 0 | 112.6 | ||||
| 16 | S | 34.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -162.6 | 123.2 | 132.4 | -84.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 17 | I | 41.6 | Very low | 38.1 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | 43.1 | 115.5 | 148.5 | -46.3 | 173 | 0 | 0 | 0 | 116.2 | ||||
| 18 | G | 34 | Very low | 37.9 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 111.3 | 144.6 | 37.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | A | 38.2 | Very low | 37.9 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -164.8 | 171.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | K | 38.7 | Very low | 37.2 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 57.6 | 111.1 | 150 | 75.2 | -162.5 | 176.2 | -176.3 | 0 | 122.2 | ||||
| 21 | R | 39.1 | Very low | 36.9 | Very low | 246 Ų | 246 | 130.9 Ų | 130.9 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | -172.1 | 152.7 | 103.9 | -102 | 178.6 | -72.9 | -164.4 | 2.9 | 112.7 | |||||
| 22 | G | 34.8 | Very low | 36.8 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 23 | F | 34.1 | Very low | 36.8 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | 54.9 | 134.3 | 73.8 | -76.8 | -91.7 | 0 | 0 | 0 | 112.7 | |||||
| 24 | D | 34.8 | Very low | 37 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | cis | -133.4 | -158.9 | 28.5 | -153.2 | -98.7 | 0 | 0 | 0 | 115 | ||||
| 25 | A | 39.5 | Very low | 37.6 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -100.1 | 177.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 26 | G | 30.4 | Very low | 37.2 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -164.4 | 134.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 27 | P | 49.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -110.7 | 154.7 | -178.6 | 39.1 | -32.5 | 0 | 0 | 0 | 115.2 | ||||
| 28 | G | 33.9 | Very low | 37.3 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 78.2 | 100.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 29 | A | 35.7 | Very low | 38 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 97% | 0.967 | 82% | 0.816 | S | S | * | * | trans | 66.4 | 144.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 30 | G | 31.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 154.9 | 111.9 | 169 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 31 | N | 34.6 | Very low | 38.2 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -57.7 | 153.7 | -179.8 | -60.5 | -21.1 | 0 | 0 | 0 | 114.7 | ||||
| 32 | G | 30.3 | Very low | 37.9 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 153.9 | 104.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 33 | L | 37.3 | Very low | 38 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 44.4 | 120.8 | 141.3 | -60.9 | 170.6 | 0 | 0 | 0 | 121 | ||||
| 34 | M | 42.3 | Very low | 38.5 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -72.6 | 151.1 | 163.2 | 62.1 | -89.5 | 171.5 | 0 | 0 | 113.6 | ||||
| 35 | P | 44.6 | Very low | 38.4 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -123.1 | 164.1 | 149 | 35.9 | -25.5 | 0 | 0 | 0 | 113.3 | ||||
| 36 | T | 41.6 | Very low | 38 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -88.8 | 163.3 | -174.1 | 37.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 37 | P | 44.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -76 | 153.7 | -179.5 | 31.5 | -36.4 | 0 | 0 | 0 | 113.8 | ||||
| 38 | A | 35.3 | Very low | 37.3 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 171.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | P | 48.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 171.7 | -136.6 | -2.1 | 23.7 | 0 | 0 | 0 | 116.2 | ||
| 40 | P | 45.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.3 | 176.8 | 31.3 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 41 | G | 36 | Very low | 37.9 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 152.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 42 | S | 33.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -135.6 | 131.8 | -166.3 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 43 | F | 36 | Very low | 38.2 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 40.3 | 138.7 | 143 | -65 | -74.4 | 0 | 0 | 0 | 121.3 | ||||
| 44 | P | 43.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -135.5 | 176.3 | 77.1 | 25.5 | -5.6 | 0 | 0 | 0 | 113.1 | |||||
| 45 | S | 32.4 | Very low | 38.2 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | cis | 163.3 | 126.7 | -23.3 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 46 | L | 32.2 | Very low | 37.6 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -153.5 | 142 | 160.4 | -109.1 | 178 | 0 | 0 | 0 | 110.7 | ||||
| 47 | Q | 34.3 | Very low | 37.1 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -109.7 | 161.5 | -176.2 | -76.5 | 163.4 | -84.8 | 0 | 0 | 109.1 | ||||
| 48 | S | 31.3 | Very low | 36.4 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 53% | 0.531 | 80% | 0.8 | S | S | . | * | cis | -175.1 | 165.8 | -11.2 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 49 | Y | 33.3 | Very low | 36.4 | Very low | 214 Ų | 214 | 132.9 Ų | 132.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 72.1 | 159.4 | 166.8 | -53.4 | -63.8 | 0 | 0 | 0 | 118.3 | ||||
| 50 | P | 44.5 | Very low | 36.2 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -127.7 | 174.1 | -41 | 35.5 | -21.2 | 0 | 0 | 0 | 112.5 | ||||
| 51 | A | 35.1 | Very low | 35.6 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 148.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 52 | T | 31.9 | Very low | 35.4 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -138.6 | 121.8 | 168.5 | -54 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 53 | M | 39.9 | Very low | 35.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -98.9 | 147.9 | 160.9 | -63.1 | -171.3 | -169.3 | 0 | 0 | 109.4 | ||||
| 54 | P | 44 | Very low | 34.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 115.4 | 163.8 | 31.6 | -30.1 | 0 | 0 | 0 | 110.5 | ||||
| 55 | S | 34.6 | Very low | 34.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -111.9 | 135.5 | 164.9 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 56 | T | 33.3 | Very low | 34.9 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -134.5 | 151.3 | 163.6 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 57 | A | 30.4 | Very low | 34.7 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 177.7 | -158.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 58 | F | 29.8 | Very low | 34.6 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | trans | -47.5 | 161 | 161.3 | -70.1 | -98.7 | 0 | 0 | 0 | 111.9 | ||||
| 59 | S | 34.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | cis | -158.3 | -161.4 | 18.8 | -130.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 60 | P | 44.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | cis | -133 | -163.9 | 10.8 | 44.2 | -25.1 | 0 | 0 | 0 | 114.8 | ||||
| 61 | A | 31.3 | Very low | 33.5 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -95.7 | 161.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 62 | H | 33.6 | Very low | 33.3 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -133 | 145.3 | 159.5 | -95.9 | -91.4 | 0 | 0 | 0 | 110.8 | ||||
| 63 | Q | 30.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -84.5 | 149.6 | 175.8 | -59.6 | 167.3 | -11.5 | 0 | 0 | 110.6 | ||||
| 64 | F | 25.6 | Very low | 33 | Very low | 208 Ų | 208 | 132.9 Ų | 132.9 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -159.8 | 141.2 | 142.1 | -117.3 | -73.2 | 0 | 0 | 0 | 112.7 | ||||
| 65 | S | 30.9 | Very low | 33 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -161.1 | 161 | 172.5 | -85.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 66 | P | 46.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | cis | -125.6 | -171.3 | -12.5 | 41.2 | -26.6 | 0 | 0 | 0 | 112.4 | ||||
| 67 | G | 28.5 | Very low | 33.5 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | 139.3 | 122.2 | 145 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 68 | T | 31.9 | Very low | 33.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | 63.9 | 138.6 | 139.8 | 55.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 69 | G | 29.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 112.1 | 111.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 70 | F | 26.8 | Very low | 33.6 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | 49.8 | 127.3 | 60.9 | -91 | -109.3 | 0 | 0 | 0 | 113.2 | |||||
| 71 | S | 29.9 | Very low | 33.1 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 80% | 0.803 | S | S | * | * | cis | -155.7 | 142.2 | 5.6 | -124.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 72 | T | 30.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 81% | 0.806 | S | S | * | * | 84.4 | 135.8 | 87 | -58.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 73 | Q | 32.5 | Very low | 33.2 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 67.5 | 112.6 | 169.1 | -77.3 | 168.8 | 67.5 | 0 | 0 | 117.9 | ||||
| 74 | A | 33.2 | Very low | 33.2 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | 85.7 | 141.5 | 66.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 75 | P | 44.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -85.4 | -172.4 | -178.1 | 41.5 | -41 | 0 | 0 | 0 | 111.2 | ||||
| 76 | P | 45.2 | Very low | 34.3 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -142.3 | -171.4 | 12.1 | 45.4 | -27.2 | 0 | 0 | 0 | 116.5 | ||||
| 77 | Q | 33.3 | Very low | 33.7 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | -159.9 | 164.2 | 128.9 | -112.3 | 171.3 | 29.8 | 0 | 0 | 113.4 | |||||
| 78 | Q | 34 | Very low | 34.4 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -96.9 | 149.8 | -177.6 | -64.7 | 162.1 | -46.8 | 0 | 0 | 111 | ||||
| 79 | G | 30.8 | Very low | 34.6 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -142.8 | 107.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 80 | V | 31.7 | Very low | 35.2 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -106.3 | 114.4 | -179.1 | -166 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 81 | I | 35.3 | Very low | 35.9 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -139.2 | 130 | 170.1 | -41.6 | 178.8 | 0 | 0 | 0 | 109 | ||||
| 82 | S | 33.2 | Very low | 36.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -87.9 | 155.6 | -174.4 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 83 | G | 32.1 | Very low | 37.9 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 88.9 | 79.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 84 | M | 32.4 | Very low | 39.3 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -133 | 108.9 | 150.5 | -71 | -166.6 | 179.6 | 0 | 0 | 110.2 | K86 | M84-K86 PolarHBondContact O-N 3.38Š| ||
| 85 | A | 42.6 | Very low | 40.8 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -68.7 | 126.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 86 | K | 35.4 | Very low | 41.7 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 97 | 172.7 | -105.6 | 160.7 | -173.2 | 169.4 | 0 | 111.6 | M84 | M84-K86 PolarHBondContact O-N 3.38Š| ||
| 87 | T | 34.5 | Very low | 42.8 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | 60.5 | 116.9 | 147 | -38.6 | 0 | 0 | 0 | 0 | 118.1 | F89 | T87-F89 HydrophobicContact CG2-CD2 3.51Å; T87-F89 HydrophobicContact CG2-CE2 3.76Å; T87-F89 HydrophobicContact CG2-CG 4.47Å; T87-F89 PolarHBondContact O-N 3.01Å | ||
| 88 | D | 43.8 | Very low | 43.8 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -62.7 | 103.5 | 161.4 | -169.8 | -67.5 | 0 | 0 | 0 | 109.4 | G90 | D88-G90 PolarHBondContact OD1-N 2.58Å; D88-G90 VanDerWaalsContact OD1-N 3.08Å | ||
| 89 | F | 36.3 | Very low | 44.7 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -104.3 | 42.6 | 178.8 | -116.5 | -67.3 | 0 | 0 | 0 | 112.4 | T87 | T87-F89 HydrophobicContact CG2-CD2 3.51Å; T87-F89 HydrophobicContact CG2-CE2 3.76Å; T87-F89 HydrophobicContact CG2-CG 4.47Å; T87-F89 PolarHBondContact O-N 3.01Å | ||
| 90 | G | 41.3 | Very low | 45.5 | Very low | 39 Ų | 39 | 152.2 Ų | 152.2 | 40% | 0.402 | 77% | 0.765 | S | S | . | * | trans | 62 | 109.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D88 K92 | D88-G90 PolarHBondContact OD1-N 2.58Å; D88-G90 VanDerWaalsContact OD1-N 3.08Å; G90-K92 PolarHBondContact O-N 3.21Å | ||
| 91 | Q | 43.2 | Very low | 46.4 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 93% | 0.93 | 74% | 0.744 | S | S | * | * | trans | -63.9 | 78.8 | 165.4 | -66.4 | -169.3 | 3.3 | 0 | 0 | 111.5 | K93 | Q91-K93 PolarHBondContact O-N 2.89Š| ||
| 92 | K | 47.1 | Very low | 46.8 | Very low | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -61.8 | 101.2 | 169.9 | -70.2 | 174.5 | -177 | 170.5 | 0 | 107.5 | G90 R94 | G90-K92 PolarHBondContact O-N 3.21Å; K92-R94 PolarHBondContact O-N 3.48Å; K92-R94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | K | 55.1 | Low | 47.4 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 72% | 0.715 | S | S | * | * | trans | -38.3 | 119.2 | 175.3 | -72.2 | -174.7 | 175.9 | -176 | 0 | 108.9 | Q91 K95 | Q91-K93 PolarHBondContact O-N 2.89Å; K93-K95 PolarHBondContact O-N 3.17Å | ||
| 94 | R | 60.8 | Low | 48 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 116.6 | -179.1 | -93.9 | -179.2 | 156.6 | -167.5 | -5.7 | 108.2 | K92 K96 | K92-R94 PolarHBondContact O-N 3.48Å; K92-R94 VanDerWaalsContact O-N 3.09Å; R94-K96 PolarHBondContact O-N 3.19Å |
| 95 | K | 64.6 | Low | 48.7 | Very low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126 | 179.8 | -70.1 | -174.8 | 177 | -177 | 0 | 108.4 | K93 S97 | K93-K95 PolarHBondContact O-N 3.17Å; K95-S97 PolarHBondContact O-N 3.13Å |
| 96 | K | 63.8 | Low | 49.2 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 116 | 177.2 | -176.7 | 73.2 | 171.9 | -174.5 | 0 | 108.7 | R94 R98 E102 | R94-K96 PolarHBondContact O-N 3.19Å; K96-R98 PolarHBondContact O-N 3.24Å; K96-E102 IonicContact NZ-OE2 2.74Å; K96-E102 PolarHBondContact NZ-OE2 3.37Å |
| 97 | S | 66.8 | Low | 50.2 | Low | 53 Ų | 53 | 142.3 Ų | 142.3 | 37% | 0.371 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 131.6 | -177.8 | 167.2 | 0 | 0 | 0 | 0 | 109.6 | K95 W99 S100 | K95-S97 PolarHBondContact O-N 3.13Å; S97-W99 PolarHBondContact O-N 2.88Å; S97-W99 VanDerWaalsContact O-N 3.08Å; S97-W99 PolarHBondContact OG-N 3.4Å; S97-W99 VanDerWaalsContact OG-N 3.12Å; S97-S100 VanDerWaalsContact CB-OG 3.26Å; S97-S100 WeakPolarHBondContact CB-OG 3.12Å; S97-S100 PolarHBondContact O-N 2.97Å; S97-S100 PolarHBondContact OG-N 3.44Å; S97-S100 PolarHBondContact OG-OG 3.38Å |
| 98 | R | 54.5 | Low | 51.5 | Low | 243 Ų | 243 | 140 Ų | 140 | 92% | 0.917 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -11.2 | 172.8 | -68.5 | -177.9 | 66.7 | 160 | 0.5 | 113 | K96 | K96-R98 PolarHBondContact O-N 3.24Š|
| 99 | W | 54 | Low | 52.5 | Low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.92 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 14.7 | -177.5 | -56.4 | 104.2 | 0 | 0 | 0 | 112.6 | S97 | S97-W99 PolarHBondContact O-N 2.88Å; S97-W99 VanDerWaalsContact O-N 3.08Å; S97-W99 PolarHBondContact OG-N 3.4Å; S97-W99 VanDerWaalsContact OG-N 3.12Å |
| 100 | S | 48.2 | Very low | 54 | Low | 58 Ų | 58 | 129.6 Ų | 129.6 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | trans | -140.6 | 117.1 | -177.4 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | S97 | S97-S100 VanDerWaalsContact CB-OG 3.26Å; S97-S100 WeakPolarHBondContact CB-OG 3.12Å; S97-S100 PolarHBondContact O-N 2.97Å; S97-S100 PolarHBondContact OG-N 3.44Å; S97-S100 PolarHBondContact OG-OG 3.38Å | ||
| 101 | S | 49.5 | Very low | 55.4 | Low | 57 Ų | 57 | 133.1 Ų | 133.1 | 40% | 0.399 | 64% | 0.635 | S | S | . | * | trans | -48.7 | 160 | 139.9 | 37.8 | 0 | 0 | 0 | 0 | 110.5 | T103 Q106 | S101-T103 VanDerWaalsContact C-N 3.31Å; S101-T103 PolarHBondContact O-N 3.46Å; S101-Q106 VanDerWaalsContact CB-CB 3.46Å; S101-Q106 WeakPolarHBondContact OG-CB 3.38Å; S101-Q106 PolarHBondContact OG-O 3.44Å | ||
| 102 | E | 43.8 | Very low | 56.5 | Low | 139 Ų | 139 | 127.7 Ų | 127.7 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -71.4 | -20.9 | -152.5 | -160.1 | 135.8 | 85.3 | 0 | 0 | 115.3 | K96 | K96-E102 IonicContact NZ-OE2 2.74Å; K96-E102 PolarHBondContact NZ-OE2 3.37Å |
| 103 | T | 44.8 | Very low | 57.8 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -128.3 | 155.7 | 172.4 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | S101 D105 Q106 | S101-T103 VanDerWaalsContact C-N 3.31Å; S101-T103 PolarHBondContact O-N 3.46Å; T103-D105 PolarHBondContact O-N 2.67Å; T103-Q106 PolarHBondContact O-N 2.73Å |
| 104 | P | 45.2 | Very low | 58.9 | Low | 118 Ų | 118 | 113.4 Ų | 113.4 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -58.3 | -26.3 | 174.9 | 24.5 | -34.8 | 0 | 0 | 0 | 113.1 | Q106 K107 | P104-Q106 PolarHBondContact O-N 2.95Å; P104-K107 PolarHBondContact O-N 3.48Å |
| 105 | D | 47.2 | Very low | 59.9 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -68.8 | -19.2 | 176.9 | -40.9 | -83.6 | 0 | 0 | 0 | 113 | T103 K107 | T103-D105 PolarHBondContact O-N 2.67Å; D105-K107 PolarHBondContact O-N 3.2Å |
| 106 | Q | 52.6 | Low | 60.8 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 34% | 0.341 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -85.1 | 18.4 | 172.8 | -68.7 | -166.9 | -51.5 | 0 | 0 | 113.5 | S101 T103 P104 T108 | S101-Q106 VanDerWaalsContact CB-CB 3.46Å; S101-Q106 WeakPolarHBondContact OG-CB 3.38Å; S101-Q106 PolarHBondContact OG-O 3.44Å; T103-Q106 PolarHBondContact O-N 2.73Å; P104-Q106 PolarHBondContact O-N 2.95Å; Q106-T108 PolarHBondContact O-N 3.13Å |
| 107 | K | 56.5 | Low | 61.9 | Low | 156 Ų | 156 | 98.1 Ų | 98.1 | 68% | 0.678 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -70.2 | 109.6 | 163.9 | -174.7 | -179.9 | -180 | -176.1 | 0 | 108.5 | P104 D105 V109 | P104-K107 PolarHBondContact O-N 3.48Å; D105-K107 PolarHBondContact O-N 3.2Å; K107-V109 PolarHBondContact O-N 2.96Å |
| 108 | T | 61.7 | Low | 62.8 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 32% | 0.319 | 53% | 0.533 | S | S | . | . | trans | -51.5 | 106.8 | 169.2 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | Q106 I110 D137 R140 | Q106-T108 PolarHBondContact O-N 3.13Å; T108-I110 HydrophobicContact CG2-CD1 3.98Å; T108-I110 HydrophobicContact CG2-CG1 3.85Å; T108-D137 HydrophobicContact CG2-CB 4.41Å; T108-D137 WeakPolarHBondContact CG2-OD1 3.38Å; T108-D137 PolarHBondContact OG1-OD1 3.38Å; T108-R140 PolarHBondContact OG1-NH2 2.9Å; T108-R140 VanDerWaalsContact OG1-NH2 3.12Å | ||
| 109 | V | 64.8 | Low | 64.3 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | trans | -112.4 | 114 | 164.1 | 178 | 0 | 0 | 0 | 0 | 105.9 | K107 P111 | K107-V109 PolarHBondContact O-N 2.96Å; V109-P111 WeakPolarHBondContact O-CD 3.31Å | ||
| 110 | I | 67.6 | Low | 65.9 | Low | 13 Ų | 13 | 84.5 Ų | 84.5 | 7% | 0.067 | 53% | 0.526 | C | S | . | . | trans | -90 | 115.9 | 176.3 | -66.8 | 157.3 | 0 | 0 | 0 | 106.7 | T108 G112 M113 L133 E136 D137 | T108-I110 HydrophobicContact CG2-CD1 3.98Å; T108-I110 HydrophobicContact CG2-CG1 3.85Å; I110-G112 PolarHBondContact O-N 3.38Å; I110-M113 HydrophobicContact CG2-CB 4.27Å; I110-M113 PolarHBondContact O-N 3.38Å; I110-L133 HydrophobicContact CD1-CD1 3.5Å; I110-L133 HydrophobicContact CD1-CG 3.71Å; I110-L133 VanDerWaalsContact CD1-O 3.26Å; I110-L133 WeakPolarHBondContact CD1-O 3.46Å; I110-E136 HydrophobicContact CD1-CB 4.44Å; I110-E136 HydrophobicContact CG2-CB 3.89Å; I110-E136 VanDerWaalsContact CG2-OE2 3.23Å; I110-E136 WeakPolarHBondContact CG2-OE2 3.26Å; I110-D137 HydrophobicContact CD1-CB 4.14Å | ||
| 111 | P | 71.1 | Confident | 67.8 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 121.7 | 180 | -21.2 | 33.8 | 0 | 0 | 0 | 110.3 | V109 | V109-P111 WeakPolarHBondContact O-CD 3.31Š|
| 112 | G | 67.9 | Low | 69.8 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 89% | 0.887 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -18.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I110 | I110-G112 PolarHBondContact O-N 3.38Š|
| 113 | M | 73.8 | Confident | 72 | Confident | 16 Ų | 16 | 86.5 Ų | 86.5 | 8% | 0.079 | 52% | 0.521 | C | S | . | . | trans | -121.3 | 120.5 | 178.2 | -164.7 | 147.8 | 70.4 | 0 | 0 | 113.3 | I110 Y129 Q132 L133 E136 | I110-M113 HydrophobicContact CG2-CB 4.27Å; I110-M113 PolarHBondContact O-N 3.38Å; M113-Y129 HydrophobicContact CG-CE2 3.97Å; M113-Y129 HydrophobicContact SD-CD2 4.22Å; M113-Y129 HydrophobicContact SD-CE2 3.66Å; M113-Q132 HydrophobicContact CE-CB 3.86Å; M113-Q132 HydrophobicContact CE-CG 3.86Å; M113-Q132 HydrophobicContact SD-CG 4.45Å; M113-Q132 PolarHBondContact SD-NE2 2.76Å; M113-L133 HydrophobicContact CB-CD1 4.28Å; M113-L133 VanDerWaalsContact CE-CA 3.43Å; M113-L133 HydrophobicContact CE-CB 3.92Å; M113-L133 HydrophobicContact CE-CD1 3.71Å; M113-L133 HydrophobicContact CE-CG 4.44Å; M113-L133 VanDerWaalsContact CE-N 3.34Å; M113-L133 HydrophobicContact CG-CD1 4Å; M113-E136 VanDerWaalsContact CE-CD 3.44Å; M113-E136 HydrophobicContact CE-CG 4.43Å; M113-E136 WeakPolarHBondContact CE-OE1 3.32Å; M113-E136 WeakPolarHBondContact CE-OE2 3.39Å | ||
| 114 | P | 78.5 | Confident | 74.2 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 49% | 0.494 | 53% | 0.525 | S | S | . | . | trans | -59.7 | 151.7 | 172.7 | -24.6 | 34.6 | 0 | 0 | 0 | 113.1 | V116 Y129 | P114-V116 VanDerWaalsContact C-N 3.28Å; P114-Y129 PolarHBondContact O-OH 3.48Å | ||
| 115 | T | 80.6 | Confident | 76.3 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -92.9 | 16.8 | 170.6 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | L133 | T115-L133 HydrophobicContact CG2-CD2 4.33Š|
| 116 | V | 84.6 | Confident | 78.4 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -117.7 | 116.8 | -177.3 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | P114 P118 | P114-V116 VanDerWaalsContact C-N 3.28Å; V116-P118 WeakPolarHBondContact O-CD 3.15Å |
| 117 | I | 85.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 84.3 Ų | 84.3 | 32% | 0.323 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -71 | 123.6 | 179.3 | -45.6 | -179.1 | 0 | 0 | 0 | 108.5 | L121 E126 Y129 I130 | I117-L121 HydrophobicContact CG2-CD2 4.34Å; I117-E126 HydrophobicContact CD1-CG 4.06Å; I117-E126 HydrophobicContact CG2-CG 4.35Å; I117-Y129 HydrophobicContact CB-CD1 4.32Å; I117-Y129 HydrophobicContact CG1-CD1 4.07Å; I117-Y129 HydrophobicContact CG1-CE1 4.37Å; I117-Y129 HydrophobicContact CG2-CD1 4.16Å; I117-I130 HydrophobicContact CD1-CD1 3.79Å; I117-I130 HydrophobicContact CD1-CG1 3.8Å |
| 118 | P | 86.3 | Confident | 82 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 26% | 0.26 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.3 | 175.8 | -24.7 | 37.5 | 0 | 0 | 0 | 112.5 | V116 L121 W582 | V116-P118 WeakPolarHBondContact O-CD 3.15Å; P118-L121 HydrophobicContact CB-CD1 4.29Å; P118-W582 HydrophobicContact CG-CH2 3.62Å; P118-W582 HydrophobicContact CG-CZ3 3.86Å |
| 119 | P | 85.1 | Confident | 83.4 | Confident | 129 Ų | 129 | 75.2 Ų | 75.2 | 84% | 0.838 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 150.2 | 175.4 | 30.4 | -35.4 | 0 | 0 | 0 | 111.5 | ||
| 120 | G | 87.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 121 | L | 88.3 | Confident | 85.9 | Confident | 37 Ų | 37 | 73.2 Ų | 73.2 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | trans | -68.6 | 147.5 | 171.1 | -87.7 | 60.6 | 0 | 0 | 0 | 111.3 | I117 P118 Q125 | I117-L121 HydrophobicContact CG2-CD2 4.34Å; P118-L121 HydrophobicContact CB-CD1 4.29Å; L121-Q125 HydrophobicContact CB-CB 3.92Å; L121-Q125 HydrophobicContact CD2-CB 4.11Å; L121-Q125 HydrophobicContact CG-CB 3.89Å | ||
| 122 | T | 92.6 | Very high | 86.8 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | trans | -68.6 | 163.1 | 165.6 | 73.2 | 0 | 0 | 0 | 0 | 110.5 | D124 Q125 E126 | T122-D124 PolarHBondContact O-N 3.28Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 PolarHBondContact O-N 3.27Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.18Å; T122-E126 WeakPolarHBondContact O-CB 3.37Å; T122-E126 PolarHBondContact O-N 3.15Å | ||
| 123 | R | 90.3 | Very high | 87.9 | Confident | 184 Ų | 184 | 67.4 Ų | 67.4 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.4 | -26.2 | -178.8 | -163.1 | 163.7 | -167.5 | 137.7 | 5.8 | 113.7 | R127 | R123-R127 VanDerWaalsContact O-CG 3.27Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.9Å |
| 124 | D | 89.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -82.6 | -32 | 176.6 | -55.3 | -47.6 | 0 | 0 | 0 | 111.6 | T122 A128 L196 | T122-D124 PolarHBondContact O-N 3.28Å; D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.02Å; D124-A128 PolarHBondContact O-N 3.37Å; D124-L196 HydrophobicContact CB-CD2 4.12Å |
| 125 | Q | 89.9 | Confident | 89.4 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 33% | 0.327 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 168.3 | -69.2 | 169.4 | -15.7 | 0 | 0 | 112 | L121 T122 A128 Y129 | L121-Q125 HydrophobicContact CB-CB 3.92Å; L121-Q125 HydrophobicContact CD2-CB 4.11Å; L121-Q125 HydrophobicContact CG-CB 3.89Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 PolarHBondContact O-N 3.27Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.18Å; Q125-A128 PolarHBondContact O-N 2.85Å; Q125-Y129 WeakPolarHBondContact O-CB 3.39Å; Q125-Y129 PolarHBondContact O-N 3.45Å |
| 126 | E | 91.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -51.3 | 171.7 | 177.6 | -172.2 | -161.4 | 0 | 0 | 110.3 | I117 T122 Y129 I130 | I117-E126 HydrophobicContact CD1-CG 4.06Å; I117-E126 HydrophobicContact CG2-CG 4.35Å; T122-E126 WeakPolarHBondContact O-CB 3.37Å; T122-E126 PolarHBondContact O-N 3.15Å; E126-Y129 PolarHBondContact O-N 2.96Å; E126-I130 HydrophobicContact CG-CD1 4.05Å; E126-I130 WeakPolarHBondContact O-CG1 3.12Å; E126-I130 PolarHBondContact O-N 2.92Å |
| 127 | R | 92.6 | Very high | 90.1 | Very high | 117 Ų | 117 | 61.6 Ų | 61.6 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56 | -51.4 | 173.3 | -77.6 | 172 | 169.9 | -79.7 | 1 | 111.7 | R123 Y129 I130 V131 E192 L196 | R123-R127 VanDerWaalsContact O-CG 3.27Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.9Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 3.39Å; R127-I130 PolarHBondContact O-N 3.49Å; R127-V131 WeakPolarHBondContact O-CB 3.35Å; R127-V131 VanDerWaalsContact O-CG2 3.25Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.43Å; R127-E192 IonicContact NH1-OE1 3.55Å; R127-L196 HydrophobicContact CB-CD1 3.69Å |
| 128 | A | 91.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D124 Q125 I130 V131 Q132 M193 L196 | D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.02Å; D124-A128 PolarHBondContact O-N 3.37Å; Q125-A128 PolarHBondContact O-N 2.85Å; A128-I130 PolarHBondContact O-N 2.91Å; A128-V131 PolarHBondContact O-N 3.04Å; A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 2.86Å; A128-M193 HydrophobicContact CB-CE 4.18Å; A128-M193 HydrophobicContact CB-SD 3.97Å; A128-M193 WeakPolarHBondContact O-CE 3.44Å; A128-L196 HydrophobicContact CB-CB 4.39Å; A128-L196 HydrophobicContact CB-CD1 4.48Å |
| 129 | Y | 91.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 177.8 | -170.9 | -113.3 | 0 | 0 | 0 | 113 | M113 P114 I117 Q125 E126 R127 Q132 L133 W582 | M113-Y129 HydrophobicContact CG-CE2 3.97Å; M113-Y129 HydrophobicContact SD-CD2 4.22Å; M113-Y129 HydrophobicContact SD-CE2 3.66Å; P114-Y129 PolarHBondContact O-OH 3.48Å; I117-Y129 HydrophobicContact CB-CD1 4.32Å; I117-Y129 HydrophobicContact CG1-CD1 4.07Å; I117-Y129 HydrophobicContact CG1-CE1 4.37Å; I117-Y129 HydrophobicContact CG2-CD1 4.16Å; Q125-Y129 WeakPolarHBondContact O-CB 3.39Å; Q125-Y129 PolarHBondContact O-N 3.45Å; E126-Y129 PolarHBondContact O-N 2.96Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 3.39Å; Y129-Q132 PolarHBondContact O-N 2.82Å; Y129-L133 PolarHBondContact O-N 3.35Å; Y129-W582 AromaticContact CD2-CE2 3.73Å; Y129-W582 AromaticContact CD2-CH2 3.57Å; Y129-W582 HydrophobicContact CD2-CH2 3.57Å; Y129-W582 AromaticContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ3 4.37Å; Y129-W582 HydrophobicContact CE1-CH2 4.49Å; Y129-W582 HydrophobicContact CE2-CD2 4.13Å; Y129-W582 AromaticContact CE2-CE2 3.73Å; Y129-W582 HydrophobicContact CE2-CE3 4.05Å; Y129-W582 AromaticContact CE2-CH2 3.22Å; Y129-W582 HydrophobicContact CE2-CH2 3.22Å; Y129-W582 AromaticContact CE2-CZ2 3.31Å; Y129-W582 HydrophobicContact CE2-CZ2 3.31Å; Y129-W582 AromaticContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CG-CH2 4.32Å; Y129-W582 HydrophobicContact CG-CZ2 4.08Å; Y129-W582 AromaticContact CZ-CH2 3.73Å; Y129-W582 AromaticContact CZ-CZ3 4Å |
| 130 | I | 91.8 | Very high | 90.7 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 33% | 0.328 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.7 | -65.6 | 163.9 | 0 | 0 | 0 | 110.8 | I117 E126 R127 A128 Q132 L133 Q134 | I117-I130 HydrophobicContact CD1-CD1 3.79Å; I117-I130 HydrophobicContact CD1-CG1 3.8Å; E126-I130 HydrophobicContact CG-CD1 4.05Å; E126-I130 WeakPolarHBondContact O-CG1 3.12Å; E126-I130 PolarHBondContact O-N 2.92Å; R127-I130 PolarHBondContact O-N 3.49Å; A128-I130 PolarHBondContact O-N 2.91Å; I130-Q132 PolarHBondContact O-N 3.21Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 3.26Å; I130-Q134 WeakPolarHBondContact O-CG 3.45Å; I130-Q134 PolarHBondContact O-N 2.83Å |
| 131 | V | 93.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | R127 A128 L133 Q134 I135 L189 E192 M193 | R127-V131 WeakPolarHBondContact O-CB 3.35Å; R127-V131 VanDerWaalsContact O-CG2 3.25Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.43Å; A128-V131 PolarHBondContact O-N 3.04Å; V131-L133 PolarHBondContact O-N 2.65Å; V131-Q134 PolarHBondContact O-N 2.93Å; V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 HydrophobicContact CG1-CG1 4.41Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.15Å; V131-L189 HydrophobicContact CB-CD2 4.45Å; V131-L189 HydrophobicContact CG1-CB 4.04Å; V131-L189 HydrophobicContact CG1-CD2 4.01Å; V131-L189 WeakPolarHBondContact CG1-O 3.49Å; V131-L189 HydrophobicContact CG2-CD2 4.11Å; V131-E192 HydrophobicContact CG2-CG 4.41Å; V131-M193 HydrophobicContact CG1-CB 3.84Å; V131-M193 HydrophobicContact CG1-CE 4.5Å |
| 132 | Q | 90.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 52 Ų | 52 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 174.3 | -157.1 | -172.3 | -46.4 | 0 | 0 | 111.3 | M113 A128 Y129 I130 Q134 I135 E136 M193 F200 | M113-Q132 HydrophobicContact CE-CB 3.86Å; M113-Q132 HydrophobicContact CE-CG 3.86Å; M113-Q132 HydrophobicContact SD-CG 4.45Å; M113-Q132 PolarHBondContact SD-NE2 2.76Å; A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 2.86Å; Y129-Q132 PolarHBondContact O-N 2.82Å; I130-Q132 PolarHBondContact O-N 3.21Å; Q132-Q134 VanDerWaalsContact C-N 3.26Å; Q132-Q134 PolarHBondContact O-N 3.09Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-I135 VanDerWaalsContact O-N 3.17Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.19Å; Q132-E136 PolarHBondContact NE2-OE1 2.83Å; Q132-E136 WeakPolarHBondContact O-CG 3.5Å; Q132-E136 PolarHBondContact O-N 2.68Å; Q132-M193 HydrophobicContact CB-CE 3.55Å; Q132-M193 HydrophobicContact CG-CE 4.05Å; Q132-F200 HydrophobicContact CG-CE2 4.46Å |
| 133 | L | 91.1 | Very high | 90.5 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 178.2 | -162 | 73.9 | 0 | 0 | 0 | 111.7 | I110 M113 T115 Y129 I130 V131 D137 | I110-L133 HydrophobicContact CD1-CD1 3.5Å; I110-L133 HydrophobicContact CD1-CG 3.71Å; I110-L133 VanDerWaalsContact CD1-O 3.26Å; I110-L133 WeakPolarHBondContact CD1-O 3.46Å; M113-L133 HydrophobicContact CB-CD1 4.28Å; M113-L133 VanDerWaalsContact CE-CA 3.43Å; M113-L133 HydrophobicContact CE-CB 3.92Å; M113-L133 HydrophobicContact CE-CD1 3.71Å; M113-L133 HydrophobicContact CE-CG 4.44Å; M113-L133 VanDerWaalsContact CE-N 3.34Å; M113-L133 HydrophobicContact CG-CD1 4Å; T115-L133 HydrophobicContact CG2-CD2 4.33Å; Y129-L133 PolarHBondContact O-N 3.35Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 3.26Å; V131-L133 PolarHBondContact O-N 2.65Å; L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 2.84Å |
| 134 | Q | 91.1 | Very high | 90.3 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.8 | -41 | 174.9 | -67.5 | 171.2 | -23.7 | 0 | 0 | 112.4 | I130 V131 Q132 E136 D137 L138 L189 | I130-Q134 WeakPolarHBondContact O-CG 3.45Å; I130-Q134 PolarHBondContact O-N 2.83Å; V131-Q134 PolarHBondContact O-N 2.93Å; Q132-Q134 VanDerWaalsContact C-N 3.26Å; Q132-Q134 PolarHBondContact O-N 3.09Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 2.75Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.31Å; Q134-L138 PolarHBondContact O-N 3Å; Q134-L189 HydrophobicContact CB-CD1 3.65Å; Q134-L189 HydrophobicContact CB-CD2 4.48Å; Q134-L189 VanDerWaalsContact OE1-CD2 3.26Å |
| 135 | I | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.2 | -67.9 | 162.9 | 0 | 0 | 0 | 110.7 | V131 Q132 T139 R186 L189 I190 M193 F200 P203 | V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 HydrophobicContact CG1-CG1 4.41Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.15Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-I135 VanDerWaalsContact O-N 3.17Å; I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.21Å; I135-T139 PolarHBondContact O-OG1 3.3Å; I135-R186 HydrophobicContact CG2-CG 4.49Å; I135-L189 HydrophobicContact CD1-CB 4.27Å; I135-L189 HydrophobicContact CG1-CB 3.71Å; I135-I190 HydrophobicContact CD1-CB 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.71Å; I135-I190 HydrophobicContact CG1-CG1 3.91Å; I135-I190 HydrophobicContact CG2-CD1 4.14Å; I135-I190 HydrophobicContact CG2-CG1 3.95Å; I135-M193 HydrophobicContact CD1-CB 4Å; I135-M193 HydrophobicContact CD1-CG 4.42Å; I135-F200 HydrophobicContact CD1-CZ 4.13Å; I135-P203 HydrophobicContact CG2-CG 3.89Å |
| 136 | E | 89.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.1 | -37.4 | 177.9 | -71.7 | 176.2 | -152.1 | 0 | 0 | 112.1 | I110 M113 Q132 Q134 R140 | I110-E136 HydrophobicContact CD1-CB 4.44Å; I110-E136 HydrophobicContact CG2-CB 3.89Å; I110-E136 VanDerWaalsContact CG2-OE2 3.23Å; I110-E136 WeakPolarHBondContact CG2-OE2 3.26Å; M113-E136 VanDerWaalsContact CE-CD 3.44Å; M113-E136 HydrophobicContact CE-CG 4.43Å; M113-E136 WeakPolarHBondContact CE-OE1 3.32Å; M113-E136 WeakPolarHBondContact CE-OE2 3.39Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.19Å; Q132-E136 PolarHBondContact NE2-OE1 2.83Å; Q132-E136 WeakPolarHBondContact O-CG 3.5Å; Q132-E136 PolarHBondContact O-N 2.68Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 2.75Å; E136-R140 WeakPolarHBondContact O-CB 3.24Å; E136-R140 PolarHBondContact O-N 3.33Å |
| 137 | D | 89.3 | Confident | 88.8 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 173.7 | -171.3 | 54.6 | 0 | 0 | 0 | 112.8 | T108 I110 L133 Q134 R140 K141 | T108-D137 HydrophobicContact CG2-CB 4.41Å; T108-D137 WeakPolarHBondContact CG2-OD1 3.38Å; T108-D137 PolarHBondContact OG1-OD1 3.38Å; I110-D137 HydrophobicContact CD1-CB 4.14Å; L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 2.84Å; Q134-D137 PolarHBondContact O-N 3.26Å; D137-R140 PolarHBondContact O-N 2.92Å; D137-R140 IonicContact OD1-CZ 3.62Å; D137-R140 IonicContact OD1-NH1 3.55Å; D137-R140 PolarHBondContact OD1-NH1 3.21Å; D137-R140 IonicContact OD1-NH2 2.65Å; D137-R140 PolarHBondContact OD1-NH2 3.49Å; D137-K141 WeakPolarHBondContact O-CG 3.31Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 WeakPolarHBondContact OD2-CE 3.34Å; D137-K141 IonicContact OD2-NZ 3.71Å; D137-K141 PolarHBondContact OD2-NZ 2.87Å |
| 138 | L | 90.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 178 | -62.3 | 168.2 | 0 | 0 | 0 | 111.1 | Q134 R140 K141 L142 I182 E185 R186 L189 | Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.31Å; Q134-L138 PolarHBondContact O-N 3Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.05Å; L138-K141 HydrophobicContact CD2-CD 4.39Å; L138-K141 PolarHBondContact O-N 3.06Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.19Å; L138-L142 PolarHBondContact O-N 3.31Å; L138-I182 HydrophobicContact CB-CG2 4.01Å; L138-I182 HydrophobicContact CD2-CG2 3.85Å; L138-E185 HydrophobicContact CD1-CB 4.13Å; L138-E185 HydrophobicContact CD1-CG 3.86Å; L138-R186 HydrophobicContact CB-CB 4.12Å; L138-R186 HydrophobicContact CD1-CB 4.17Å; L138-L189 HydrophobicContact CD1-CD1 3.51Å |
| 139 | T | 90.5 | Very high | 87 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | I135 L142 R143 R186 | I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.21Å; I135-T139 PolarHBondContact O-OG1 3.3Å; T139-L142 PolarHBondContact O-N 3.21Å; T139-R143 WeakPolarHBondContact O-CG 3.43Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.12Å; T139-R186 VanDerWaalsContact OG1-CD 3.24Å; T139-R186 WeakPolarHBondContact OG1-CD 3.44Å |
| 140 | R | 88.1 | Confident | 85.9 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 172.4 | -166.2 | -177.3 | 75.6 | -90.1 | -8.2 | 110.9 | T108 E136 D137 L138 L142 R143 T144 | T108-R140 PolarHBondContact OG1-NH2 2.9Å; T108-R140 VanDerWaalsContact OG1-NH2 3.12Å; E136-R140 WeakPolarHBondContact O-CB 3.24Å; E136-R140 PolarHBondContact O-N 3.33Å; D137-R140 PolarHBondContact O-N 2.92Å; D137-R140 IonicContact OD1-CZ 3.62Å; D137-R140 IonicContact OD1-NH1 3.55Å; D137-R140 PolarHBondContact OD1-NH1 3.21Å; D137-R140 IonicContact OD1-NH2 2.65Å; D137-R140 PolarHBondContact OD1-NH2 3.49Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.05Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.05Å; R140-R143 PolarHBondContact O-N 3.14Å; R140-R143 VanDerWaalsContact O-N 3.09Å; R140-T144 HydrophobicContact CG-CG2 4.11Å; R140-T144 WeakPolarHBondContact O-CG2 3.39Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 3.3Å; R140-T144 VanDerWaalsContact O-OG1 3.12Å |
| 141 | K | 87.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 177.2 | -73.2 | 165.3 | 170.8 | 164.9 | 0 | 112.9 | D137 L138 R143 G145 D146 | D137-K141 WeakPolarHBondContact O-CG 3.31Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 WeakPolarHBondContact OD2-CE 3.34Å; D137-K141 IonicContact OD2-NZ 3.71Å; D137-K141 PolarHBondContact OD2-NZ 2.87Å; L138-K141 HydrophobicContact CD2-CD 4.39Å; L138-K141 PolarHBondContact O-N 3.06Å; K141-R143 PolarHBondContact O-N 3.04Å; K141-G145 WeakPolarHBondContact O-CA 3.25Å; K141-G145 PolarHBondContact O-N 3.43Å; K141-D146 WeakPolarHBondContact CB-O 3.39Å; K141-D146 WeakPolarHBondContact CG-O 3.29Å; K141-D146 PolarHBondContact O-N 3.41Å |
| 142 | L | 89.1 | Confident | 83.6 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 176.6 | -70 | 171.9 | 0 | 0 | 0 | 113.1 | L138 T139 R140 R179 I182 E183 | L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.19Å; L138-L142 PolarHBondContact O-N 3.31Å; T139-L142 PolarHBondContact O-N 3.21Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.05Å; L142-R179 HydrophobicContact CD2-CG 3.87Å; L142-R179 PolarHBondContact O-NH1 2.92Å; L142-I182 HydrophobicContact CD1-CG2 4.1Å; L142-I182 HydrophobicContact CD2-CB 3.97Å; L142-I182 HydrophobicContact CD2-CG2 3.63Å; L142-I182 HydrophobicContact CG-CB 4.45Å; L142-I182 HydrophobicContact CG-CG2 3.58Å; L142-E183 HydrophobicContact CD1-CG 3.67Å; L142-E183 HydrophobicContact CD2-CG 3.7Å; L142-E183 HydrophobicContact CG-CG 4.36Å |
| 143 | R | 87.8 | Confident | 82.4 | Confident | 196 Ų | 196 | 59.1 Ų | 59.1 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -78.6 | -39.4 | 178.9 | -74.3 | 179.7 | 62.5 | -166.7 | -1.3 | 113.5 | T139 R140 K141 | T139-R143 WeakPolarHBondContact O-CG 3.43Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.12Å; R140-R143 PolarHBondContact O-N 3.14Å; R140-R143 VanDerWaalsContact O-N 3.09Å; K141-R143 PolarHBondContact O-N 3.04Å |
| 144 | T | 85.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 66 Ų | 66 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -80.1 | -22.8 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 113 | R140 D146 | R140-T144 HydrophobicContact CG-CG2 4.11Å; R140-T144 WeakPolarHBondContact O-CG2 3.39Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 3.3Å; R140-T144 VanDerWaalsContact O-OG1 3.12Å; T144-D146 VanDerWaalsContact C-N 3.27Å; T144-D146 PolarHBondContact OG1-N 2.96Å |
| 145 | G | 80.5 | Confident | 80.4 | Confident | 39 Ų | 39 | 67 Ų | 67 | 40% | 0.402 | 37% | 0.368 | S | S | . | . | trans | 78.8 | 8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K141 L147 | K141-G145 WeakPolarHBondContact O-CA 3.25Å; K141-G145 PolarHBondContact O-N 3.43Å; G145-L147 PolarHBondContact O-N 3.36Å | ||
| 146 | D | 80.5 | Confident | 79.5 | Confident | 68 Ų | 68 | 70.5 Ų | 70.5 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | -72.6 | 80.6 | 167.8 | -177 | 13.6 | 0 | 0 | 0 | 109.8 | K141 T144 G148 | K141-D146 WeakPolarHBondContact CB-O 3.39Å; K141-D146 WeakPolarHBondContact CG-O 3.29Å; K141-D146 PolarHBondContact O-N 3.41Å; T144-D146 VanDerWaalsContact C-N 3.27Å; T144-D146 PolarHBondContact OG1-N 2.96Å; D146-G148 PolarHBondContact O-N 3.12Å; D146-G148 PolarHBondContact OD1-N 3.05Å | ||
| 147 | L | 78.8 | Confident | 78.5 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | trans | -78.5 | 2.1 | 177.8 | -61 | 179.6 | 0 | 0 | 0 | 112.5 | G145 I149 T178 R179 I182 | G145-L147 PolarHBondContact O-N 3.36Å; L147-I149 HydrophobicContact CB-CD1 3.93Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 3.99Å; L147-I149 PolarHBondContact O-N 3.37Å; L147-I149 VanDerWaalsContact O-N 3.15Å; L147-T178 HydrophobicContact CB-CG2 3.93Å; L147-T178 WeakPolarHBondContact O-CG2 3.34Å; L147-R179 HydrophobicContact CD1-CB 4.36Å; L147-R179 HydrophobicContact CD2-CB 4.09Å; L147-I182 HydrophobicContact CD2-CD1 3.93Å | ||
| 148 | G | 70.8 | Confident | 77.7 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 60% | 0.598 | 43% | 0.433 | S | S | * | . | trans | 61.5 | 19.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D146 P150 | D146-G148 PolarHBondContact O-N 3.12Å; D146-G148 PolarHBondContact OD1-N 3.05Å; G148-P150 WeakPolarHBondContact O-CD 3.15Å | ||
| 149 | I | 75.4 | Confident | 76.6 | Confident | 43 Ų | 43 | 80 Ų | 80 | 22% | 0.221 | 45% | 0.453 | C | S | . | . | trans | -73.1 | 123.8 | 177.2 | -63.8 | 170 | 0 | 0 | 0 | 108.3 | L147 V151 R174 E175 T178 | L147-I149 HydrophobicContact CB-CD1 3.93Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 3.99Å; L147-I149 PolarHBondContact O-N 3.37Å; L147-I149 VanDerWaalsContact O-N 3.15Å; I149-V151 PolarHBondContact O-N 3.26Å; I149-R174 HydrophobicContact CD1-CG 4.24Å; I149-E175 HydrophobicContact CD1-CG 4.45Å; I149-T178 HydrophobicContact CG1-CG2 4.08Å | ||
| 150 | P | 69.4 | Low | 76 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -55.3 | 134.6 | 177.1 | -26.5 | 34.8 | 0 | 0 | 0 | 111.6 | G148 N152 D155 R156 | G148-P150 WeakPolarHBondContact O-CD 3.15Å; P150-N152 VanDerWaalsContact C-N 3.34Å; P150-D155 HydrophobicContact CB-CB 4.06Å; P150-D155 HydrophobicContact CG-CB 4.49Å; P150-R156 HydrophobicContact CB-CG 4.3Å; P150-R156 PolarHBondContact O-NE 3.22Å; P150-R156 PolarHBondContact O-NH2 3.28Å | ||
| 151 | V | 69.6 | Low | 75.6 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 81% | 0.806 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -68.6 | -37.8 | 178.1 | -179 | 0 | 0 | 0 | 0 | 110.5 | I149 R156 | I149-V151 PolarHBondContact O-N 3.26Å; V151-R156 PolarHBondContact O-NH2 3.06Å |
| 152 | N | 66.8 | Low | 75.2 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -61.4 | 138.1 | 176 | -63.2 | -14.6 | 0 | 0 | 0 | 111.5 | P150 E154 D155 R156 | P150-N152 VanDerWaalsContact C-N 3.34Å; N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 3.21Å; N152-D155 HydrophobicContact CB-CB 4.36Å; N152-D155 WeakPolarHBondContact CB-OD2 3.33Å; N152-D155 PolarHBondContact ND2-OD2 3.22Å; N152-R156 WeakPolarHBondContact O-CD 3.28Å; N152-R156 WeakPolarHBondContact O-CG 3.44Å; N152-R156 PolarHBondContact O-NE 2.73Å |
| 153 | P | 66.5 | Low | 74.8 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -68.5 | -28.9 | 178.1 | 24.4 | -29.8 | 0 | 0 | 0 | 113.6 | ||
| 154 | E | 69.4 | Low | 74.5 | Confident | 180 Ų | 180 | 89.5 Ų | 89.5 | 84% | 0.841 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -90.7 | -30 | -167.7 | -50.7 | -170.7 | 168.6 | 0 | 0 | 113.4 | N152 R156 | N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 3.21Å; E154-R156 PolarHBondContact O-N 3.24Å |
| 155 | D | 69.8 | Low | 74.3 | Confident | 109 Ų | 109 | 87.1 Ų | 87.1 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -72.7 | 8.3 | 174.5 | -62.1 | -63.2 | 0 | 0 | 0 | 113.4 | P150 N152 | P150-D155 HydrophobicContact CB-CB 4.06Å; P150-D155 HydrophobicContact CG-CB 4.49Å; N152-D155 HydrophobicContact CB-CB 4.36Å; N152-D155 WeakPolarHBondContact CB-OD2 3.33Å; N152-D155 PolarHBondContact ND2-OD2 3.22Å |
| 156 | R | 74.9 | Confident | 74.2 | Confident | 75 Ų | 75 | 91.6 Ų | 91.6 | 28% | 0.283 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -101.1 | 128.5 | -176.8 | -67.8 | 157.4 | 173.7 | 171.8 | 2.1 | 110.4 | P150 V151 N152 E154 | P150-R156 HydrophobicContact CB-CG 4.3Å; P150-R156 PolarHBondContact O-NE 3.22Å; P150-R156 PolarHBondContact O-NH2 3.28Å; V151-R156 PolarHBondContact O-NH2 3.06Å; N152-R156 WeakPolarHBondContact O-CD 3.28Å; N152-R156 WeakPolarHBondContact O-CG 3.44Å; N152-R156 PolarHBondContact O-NE 2.73Å; E154-R156 PolarHBondContact O-N 3.24Å |
| 157 | S | 68.4 | Low | 74.3 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 70% | 0.699 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 143.2 | 169.1 | -46.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 158 | P | 72 | Confident | 74.4 | Confident | 121 Ų | 121 | 95.8 Ų | 95.8 | 79% | 0.786 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 143.2 | 172 | -28.8 | 35.9 | 0 | 0 | 0 | 111.9 | ||
| 159 | S | 67.3 | Low | 74.9 | Confident | 62 Ų | 62 | 98.8 Ų | 98.8 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -76 | 130.3 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | R177 | S159-R177 PolarHBondContact OG-NH1 3.12Å; S159-R177 PolarHBondContact OG-NH2 3.2Å |
| 160 | P | 78.3 | Confident | 75.2 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -58 | 164.4 | 158.3 | 27.3 | -36.5 | 0 | 0 | 0 | 110.9 | ||
| 161 | E | 78.1 | Confident | 75.5 | Confident | 168 Ų | 168 | 104.4 Ų | 104.4 | 79% | 0.785 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.8 | -166.7 | -61.7 | -175.7 | 162 | 0 | 0 | 113.9 | I163 | E161-I163 PolarHBondContact O-N 3.04Š|
| 162 | P | 79.2 | Confident | 76 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | trans | -61.2 | 101.5 | 173.9 | -26.7 | 38 | 0 | 0 | 0 | 113.1 | Y164 R170 | P162-Y164 HydrophobicContact CB-CD2 4.31Å; P162-Y164 HydrophobicContact CB-CE2 3.53Å; P162-Y164 WeakPolarHBondContact O-CD2 3.31Å; P162-Y164 VanDerWaalsContact O-CE2 3.29Å; P162-Y164 WeakPolarHBondContact O-CE2 3.4Å; P162-R170 HydrophobicContact CB-CG 4.02Å | ||
| 163 | I | 81.3 | Confident | 76.8 | Confident | 104 Ų | 104 | 97.2 Ų | 97.2 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | trans | -79 | 125 | 166 | -51.8 | 175.8 | 0 | 0 | 0 | 108.5 | E161 R170 L171 N172 | E161-I163 PolarHBondContact O-N 3.04Å; I163-R170 CarbonylContact O-C 3.48Å; I163-R170 WeakPolarHBondContact O-CA 3.29Å; I163-L171 PolarHBondContact O-N 2.83Å; I163-N172 HydrophobicContact CB-CB 4.02Å; I163-N172 HydrophobicContact CG1-CB 4.26Å; I163-N172 PolarHBondContact O-N 3.45Å | ||
| 164 | Y | 81.6 | Confident | 77.6 | Confident | 136 Ų | 136 | 96 Ų | 96 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -103.4 | 154.3 | 177.3 | -64.1 | -88.4 | 0 | 0 | 0 | 111.4 | P162 G168 K169 R170 | P162-Y164 HydrophobicContact CB-CD2 4.31Å; P162-Y164 HydrophobicContact CB-CE2 3.53Å; P162-Y164 WeakPolarHBondContact O-CD2 3.31Å; P162-Y164 VanDerWaalsContact O-CE2 3.29Å; P162-Y164 WeakPolarHBondContact O-CE2 3.4Å; Y164-G168 VanDerWaalsContact CD1-O 3.28Å; Y164-G168 WeakPolarHBondContact CD1-O 3.26Å; Y164-K169 CarbonylContact C-O 3.5Å; Y164-K169 VanDerWaalsContact CA-O 3.31Å; Y164-K169 WeakPolarHBondContact CA-O 3.5Å; Y164-R170 HydrophobicContact CD1-CB 4.12Å; Y164-R170 HydrophobicContact CE1-CB 3.93Å |
| 165 | N | 82.6 | Confident | 78.3 | Confident | 43 Ų | 43 | 91.8 Ų | 91.8 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | trans | -84.5 | 175.4 | 164 | 72.9 | -8.9 | 0 | 0 | 0 | 111.3 | E167 G168 K169 L171 | N165-E167 WeakPolarHBondContact ND2-CG 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.26Å; N165-E167 PolarHBondContact O-N 2.82Å; N165-E167 WeakPolarHBondContact OD1-CA 3.47Å; N165-E167 WeakPolarHBondContact OD1-CB 3.49Å; N165-E167 PolarHBondContact OD1-N 3.05Å; N165-G168 PolarHBondContact O-N 3.4Å; N165-G168 PolarHBondContact OD1-N 2.88Å; N165-K169 PolarHBondContact N-O 3.14Å; N165-K169 WeakPolarHBondContact OD1-CB 3.35Å; N165-K169 PolarHBondContact OD1-N 2.82Å; N165-K169 PolarHBondContact OD1-O 3.47Å; N165-L171 HydrophobicContact CB-CD1 3.89Å; N165-L171 HydrophobicContact CB-CD2 4.08Å; N165-L171 HydrophobicContact CB-CG 3.99Å | ||
| 166 | S | 78.3 | Confident | 79 | Confident | 133 Ų | 133 | 92.5 Ų | 92.5 | 93% | 0.93 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -6.8 | 173.3 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 167 | E | 81.9 | Confident | 79.5 | Confident | 122 Ų | 122 | 91.6 Ų | 91.6 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6 | 174.3 | -43.2 | 172.3 | 139.9 | 0 | 0 | 112.4 | N165 K169 | N165-E167 WeakPolarHBondContact ND2-CG 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.26Å; N165-E167 PolarHBondContact O-N 2.82Å; N165-E167 WeakPolarHBondContact OD1-CA 3.47Å; N165-E167 WeakPolarHBondContact OD1-CB 3.49Å; N165-E167 PolarHBondContact OD1-N 3.05Å; E167-K169 VanDerWaalsContact C-N 3.31Å; E167-K169 HydrophobicContact CB-CD 4.49Å; E167-K169 HydrophobicContact CB-CG 4.44Å; E167-K169 PolarHBondContact O-N 3.17Å; E167-K169 IonicContact OE1-NZ 3.01Å; E167-K169 WeakPolarHBondContact OE2-CD 3.39Å; E167-K169 VanDerWaalsContact OE2-CE 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.28Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 2.96Å |
| 168 | G | 81.1 | Confident | 80.4 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 57% | 0.567 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 74.1 | 11.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y164 N165 | Y164-G168 VanDerWaalsContact CD1-O 3.28Å; Y164-G168 WeakPolarHBondContact CD1-O 3.26Å; N165-G168 PolarHBondContact O-N 3.4Å; N165-G168 PolarHBondContact OD1-N 2.88Å |
| 169 | K | 82.2 | Confident | 81.1 | Confident | 122 Ų | 122 | 86.9 Ų | 86.9 | 53% | 0.53 | 44% | 0.441 | S | S | . | . | trans | -91.2 | 132.9 | 178.1 | -59.4 | 173.6 | -167.4 | 153.3 | 0 | 110.7 | Y164 N165 E167 L171 | Y164-K169 CarbonylContact C-O 3.5Å; Y164-K169 VanDerWaalsContact CA-O 3.31Å; Y164-K169 WeakPolarHBondContact CA-O 3.5Å; N165-K169 PolarHBondContact N-O 3.14Å; N165-K169 WeakPolarHBondContact OD1-CB 3.35Å; N165-K169 PolarHBondContact OD1-N 2.82Å; N165-K169 PolarHBondContact OD1-O 3.47Å; E167-K169 VanDerWaalsContact C-N 3.31Å; E167-K169 HydrophobicContact CB-CD 4.49Å; E167-K169 HydrophobicContact CB-CG 4.44Å; E167-K169 PolarHBondContact O-N 3.17Å; E167-K169 IonicContact OE1-NZ 3.01Å; E167-K169 WeakPolarHBondContact OE2-CD 3.39Å; E167-K169 VanDerWaalsContact OE2-CE 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.28Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 2.96Å; K169-L171 PolarHBondContact O-N 3.46Å; K169-L171 VanDerWaalsContact O-N 3.17Å | ||
| 170 | R | 81.3 | Confident | 82.1 | Confident | 125 Ų | 125 | 88.8 Ų | 88.8 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -71.1 | 107.9 | 177.7 | -173.7 | -178 | 73.2 | 179.5 | 1.1 | 110.8 | P162 I163 Y164 | P162-R170 HydrophobicContact CB-CG 4.02Å; I163-R170 CarbonylContact O-C 3.48Å; I163-R170 WeakPolarHBondContact O-CA 3.29Å; Y164-R170 HydrophobicContact CD1-CB 4.12Å; Y164-R170 HydrophobicContact CE1-CB 3.93Å |
| 171 | L | 75.6 | Confident | 82.6 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 48% | 0.482 | 45% | 0.448 | S | S | . | . | trans | -72.2 | -33.4 | 173.9 | -61 | 172.9 | 0 | 0 | 0 | 111.9 | I163 N165 K169 T173 Y176 | I163-L171 PolarHBondContact O-N 2.83Å; N165-L171 HydrophobicContact CB-CD1 3.89Å; N165-L171 HydrophobicContact CB-CD2 4.08Å; N165-L171 HydrophobicContact CB-CG 3.99Å; K169-L171 PolarHBondContact O-N 3.46Å; K169-L171 VanDerWaalsContact O-N 3.17Å; L171-T173 PolarHBondContact O-N 2.98Å; L171-Y176 WeakPolarHBondContact O-CD1 3.32Å | ||
| 172 | N | 78.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | trans | -86.3 | 72.3 | -172.2 | -160.4 | -25.5 | 0 | 0 | 0 | 112.4 | I163 R177 | I163-N172 HydrophobicContact CB-CB 4.02Å; I163-N172 HydrophobicContact CG1-CB 4.26Å; I163-N172 PolarHBondContact O-N 3.45Å; N172-R177 WeakPolarHBondContact OD1-CD 3.43Å; N172-R177 WeakPolarHBondContact OD1-CG 3.35Å; N172-R177 PolarHBondContact OD1-NH1 3.33Å | ||
| 173 | T | 83.9 | Confident | 83.7 | Confident | 42 Ų | 42 | 85 Ų | 85 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | trans | -84 | 159 | 167.3 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | L171 E175 Y176 R177 | L171-T173 PolarHBondContact O-N 2.98Å; T173-E175 VanDerWaalsContact C-N 3.27Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 PolarHBondContact O-N 2.84Å; T173-Y176 PolarHBondContact O-N 3.22Å; T173-Y176 VanDerWaalsContact OG1-CB 3.22Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.2Å; T173-Y176 PolarHBondContact OG1-N 3.39Å; T173-R177 WeakPolarHBondContact O-CG 3.45Å; T173-R177 PolarHBondContact O-N 2.92Å | ||
| 174 | R | 84 | Confident | 84.1 | Confident | 69 Ų | 69 | 85.6 Ų | 85.6 | 26% | 0.26 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.8 | 176.6 | -173 | -72.9 | 123.4 | -5.4 | 110.3 | I149 R177 T178 | I149-R174 HydrophobicContact CD1-CG 4.24Å; R174-R177 PolarHBondContact O-N 2.86Å; R174-T178 PolarHBondContact O-N 3.38Å; R174-T178 PolarHBondContact O-OG1 2.95Å; R174-T178 VanDerWaalsContact O-OG1 3.07Å |
| 175 | E | 83.5 | Confident | 84.6 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | -178.6 | -58 | 63.3 | -133.7 | 0 | 0 | 109.8 | I149 T173 R179 | I149-E175 HydrophobicContact CD1-CG 4.45Å; T173-E175 VanDerWaalsContact C-N 3.27Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 PolarHBondContact O-N 2.84Å; E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 PolarHBondContact O-N 3.17Å |
| 176 | Y | 84.3 | Confident | 85.1 | Confident | 125 Ų | 125 | 82.3 Ų | 82.3 | 49% | 0.49 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 172.1 | -179.3 | -102.1 | 0 | 0 | 0 | 112.1 | L171 T173 T178 R179 K180 | L171-Y176 WeakPolarHBondContact O-CD1 3.32Å; T173-Y176 PolarHBondContact O-N 3.22Å; T173-Y176 VanDerWaalsContact OG1-CB 3.22Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.2Å; T173-Y176 PolarHBondContact OG1-N 3.39Å; Y176-T178 PolarHBondContact O-N 2.93Å; Y176-R179 PolarHBondContact O-N 2.88Å; Y176-K180 HydrophobicContact CE1-CD 4.4Å; Y176-K180 VanDerWaalsContact O-CB 3.25Å; Y176-K180 WeakPolarHBondContact O-CB 3.37Å; Y176-K180 PolarHBondContact O-N 2.9Å |
| 177 | R | 85.5 | Confident | 85.8 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 21% | 0.211 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 175.9 | -74.6 | -166.7 | -61.2 | -98 | 10.8 | 112.4 | S159 N172 T173 R174 K180 K181 | S159-R177 PolarHBondContact OG-NH1 3.12Å; S159-R177 PolarHBondContact OG-NH2 3.2Å; N172-R177 WeakPolarHBondContact OD1-CD 3.43Å; N172-R177 WeakPolarHBondContact OD1-CG 3.35Å; N172-R177 PolarHBondContact OD1-NH1 3.33Å; T173-R177 WeakPolarHBondContact O-CG 3.45Å; T173-R177 PolarHBondContact O-N 2.92Å; R174-R177 PolarHBondContact O-N 2.86Å; R177-K180 PolarHBondContact O-N 2.84Å; R177-K181 WeakPolarHBondContact O-CB 3.19Å; R177-K181 PolarHBondContact O-N 2.85Å |
| 178 | T | 86.9 | Confident | 86.2 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 23% | 0.233 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | -176.4 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | L147 I149 R174 Y176 K181 I182 | L147-T178 HydrophobicContact CB-CG2 3.93Å; L147-T178 WeakPolarHBondContact O-CG2 3.34Å; I149-T178 HydrophobicContact CG1-CG2 4.08Å; R174-T178 PolarHBondContact O-N 3.38Å; R174-T178 PolarHBondContact O-OG1 2.95Å; R174-T178 VanDerWaalsContact O-OG1 3.07Å; Y176-T178 PolarHBondContact O-N 2.93Å; T178-K181 PolarHBondContact O-N 2.69Å; T178-I182 HydrophobicContact CG2-CD1 4.21Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.31Å |
| 179 | R | 88.1 | Confident | 86.8 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 171.3 | 178.8 | 174 | -64.5 | -79.5 | -0.4 | 111.6 | L142 L147 E175 Y176 K181 I182 E183 | L142-R179 HydrophobicContact CD2-CG 3.87Å; L142-R179 PolarHBondContact O-NH1 2.92Å; L147-R179 HydrophobicContact CD1-CB 4.36Å; L147-R179 HydrophobicContact CD2-CB 4.09Å; E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 PolarHBondContact O-N 3.17Å; Y176-R179 PolarHBondContact O-N 2.88Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.82Å; R179-I182 PolarHBondContact O-N 3.28Å; R179-I182 VanDerWaalsContact O-N 3.15Å; R179-E183 WeakPolarHBondContact CG-OE1 3.46Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.37Å |
| 180 | K | 88.4 | Confident | 87.3 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -43 | 177.6 | -176.9 | -178.1 | 173.1 | -172.7 | 0 | 111.5 | Y176 R177 I182 E183 E184 | Y176-K180 HydrophobicContact CE1-CD 4.4Å; Y176-K180 VanDerWaalsContact O-CB 3.25Å; Y176-K180 WeakPolarHBondContact O-CB 3.37Å; Y176-K180 PolarHBondContact O-N 2.9Å; R177-K180 PolarHBondContact O-N 2.84Å; K180-I182 PolarHBondContact O-N 3.44Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 2.8Å; K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 PolarHBondContact O-N 2.88Å |
| 181 | K | 88.5 | Confident | 87.7 | Confident | 135 Ų | 135 | 66 Ų | 66 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 176.6 | -175.1 | -178.5 | 174.8 | -174 | 0 | 111.7 | R177 T178 R179 E183 E184 E185 | R177-K181 WeakPolarHBondContact O-CB 3.19Å; R177-K181 PolarHBondContact O-N 2.85Å; T178-K181 PolarHBondContact O-N 2.69Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.82Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E184 PolarHBondContact O-N 3.31Å; K181-E185 VanDerWaalsContact O-CB 3.29Å; K181-E185 WeakPolarHBondContact O-CB 3.2Å; K181-E185 PolarHBondContact O-N 3.46Å |
| 182 | I | 91.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | 177.8 | -66.6 | 170.3 | 0 | 0 | 0 | 111.1 | L138 L142 L147 T178 R179 K180 R186 | L138-I182 HydrophobicContact CB-CG2 4.01Å; L138-I182 HydrophobicContact CD2-CG2 3.85Å; L142-I182 HydrophobicContact CD1-CG2 4.1Å; L142-I182 HydrophobicContact CD2-CB 3.97Å; L142-I182 HydrophobicContact CD2-CG2 3.63Å; L142-I182 HydrophobicContact CG-CB 4.45Å; L142-I182 HydrophobicContact CG-CG2 3.58Å; L147-I182 HydrophobicContact CD2-CD1 3.93Å; T178-I182 HydrophobicContact CG2-CD1 4.21Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.31Å; R179-I182 PolarHBondContact O-N 3.28Å; R179-I182 VanDerWaalsContact O-N 3.15Å; K180-I182 PolarHBondContact O-N 3.44Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 PolarHBondContact O-N 3.09Å |
| 183 | E | 90.1 | Very high | 89.2 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 172.8 | -74.5 | 163.8 | -175.5 | 0 | 0 | 112.8 | L142 R179 K180 K181 H187 | L142-E183 HydrophobicContact CD1-CG 3.67Å; L142-E183 HydrophobicContact CD2-CG 3.7Å; L142-E183 HydrophobicContact CG-CG 4.36Å; R179-E183 WeakPolarHBondContact CG-OE1 3.46Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.37Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 2.8Å; K181-E183 VanDerWaalsContact C-N 3.33Å; E183-H187 WeakPolarHBondContact O-CB 3.4Å; E183-H187 PolarHBondContact O-N 3.27Å |
| 184 | E | 89.7 | Confident | 89.6 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.7 | -42.1 | 177.9 | -174 | 164.1 | -152.1 | 0 | 0 | 111.9 | K180 K181 H187 S188 | K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 PolarHBondContact O-N 2.88Å; K181-E184 PolarHBondContact O-N 3.31Å; E184-H187 WeakPolarHBondContact O-CB 3.19Å; E184-H187 PolarHBondContact O-N 3.34Å; E184-S188 PolarHBondContact O-N 3.34Å |
| 185 | E | 92 | Very high | 89.9 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 171.4 | -166.3 | 176.4 | 155.7 | 0 | 0 | 110.9 | L138 K181 H187 S188 L189 | L138-E185 HydrophobicContact CD1-CB 4.13Å; L138-E185 HydrophobicContact CD1-CG 3.86Å; K181-E185 VanDerWaalsContact O-CB 3.29Å; K181-E185 WeakPolarHBondContact O-CB 3.2Å; K181-E185 PolarHBondContact O-N 3.46Å; E185-H187 VanDerWaalsContact C-N 3.34Å; E185-H187 PolarHBondContact O-N 2.88Å; E185-S188 PolarHBondContact O-N 2.82Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 2.97Å; E185-L189 VanDerWaalsContact O-N 3.11Å |
| 186 | R | 93.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 173.1 | -177.8 | -177.6 | 68.1 | 150.9 | 1.3 | 112 | I135 L138 T139 I182 I190 D205 | I135-R186 HydrophobicContact CG2-CG 4.49Å; L138-R186 HydrophobicContact CB-CB 4.12Å; L138-R186 HydrophobicContact CD1-CB 4.17Å; T139-R186 VanDerWaalsContact OG1-CD 3.24Å; T139-R186 WeakPolarHBondContact OG1-CD 3.44Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 PolarHBondContact O-N 3.09Å; R186-I190 HydrophobicContact CG-CD1 3.87Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.05Å; R186-I190 PolarHBondContact O-N 3.25Å; R186-D205 PolarHBondContact NH1-O 3.04Å; R186-D205 PolarHBondContact NH2-O 3.13Å |
| 187 | H | 91.1 | Very high | 90.4 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 176.1 | 168.9 | 42 | 0 | 0 | 0 | 111.5 | E183 E184 E185 L189 I190 T191 Y206 P209 | E183-H187 WeakPolarHBondContact O-CB 3.4Å; E183-H187 PolarHBondContact O-N 3.27Å; E184-H187 WeakPolarHBondContact O-CB 3.19Å; E184-H187 PolarHBondContact O-N 3.34Å; E185-H187 VanDerWaalsContact C-N 3.34Å; E185-H187 PolarHBondContact O-N 2.88Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.96Å; H187-I190 PolarHBondContact O-N 3.17Å; H187-T191 PolarHBondContact CE1-OG1 2.9Å; H187-T191 PolarHBondContact O-N 2.91Å; H187-T191 PolarHBondContact O-OG1 2.84Å; H187-Y206 HydrophobicContact CB-CE2 4.16Å; H187-Y206 AromaticContact ND1-CE2 3.96Å; H187-Y206 AromaticContact ND1-CZ 3.87Å; H187-Y206 PolarHBondContact ND1-OH 2.86Å; H187-P209 HydrophobicContact CB-CG 4.31Å |
| 188 | S | 91.8 | Very high | 90.6 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.4 | -45.7 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | E184 E185 T191 E192 | E184-S188 PolarHBondContact O-N 3.34Å; E185-S188 PolarHBondContact O-N 2.82Å; S188-T191 PolarHBondContact O-N 3.33Å; S188-E192 PolarHBondContact O-N 3.37Å |
| 189 | L | 93.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68 | -38.2 | 178.7 | -71.7 | 165 | 0 | 0 | 0 | 112.8 | V131 Q134 I135 L138 E185 H187 T191 E192 M193 | V131-L189 HydrophobicContact CB-CD2 4.45Å; V131-L189 HydrophobicContact CG1-CB 4.04Å; V131-L189 HydrophobicContact CG1-CD2 4.01Å; V131-L189 WeakPolarHBondContact CG1-O 3.49Å; V131-L189 HydrophobicContact CG2-CD2 4.11Å; Q134-L189 HydrophobicContact CB-CD1 3.65Å; Q134-L189 HydrophobicContact CB-CD2 4.48Å; Q134-L189 VanDerWaalsContact OE1-CD2 3.26Å; I135-L189 HydrophobicContact CD1-CB 4.27Å; I135-L189 HydrophobicContact CG1-CB 3.71Å; L138-L189 HydrophobicContact CD1-CD1 3.51Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 2.97Å; E185-L189 VanDerWaalsContact O-N 3.11Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.96Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.95Å; L189-E192 PolarHBondContact O-N 2.86Å; L189-M193 VanDerWaalsContact O-CB 3.31Å; L189-M193 WeakPolarHBondContact O-CB 3.45Å; L189-M193 PolarHBondContact O-N 3.4Å |
| 190 | I | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 173.2 | -73.1 | 168.2 | 0 | 0 | 0 | 111 | I135 R186 H187 M193 I194 F200 P202 Y206 | I135-I190 HydrophobicContact CD1-CB 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.71Å; I135-I190 HydrophobicContact CG1-CG1 3.91Å; I135-I190 HydrophobicContact CG2-CD1 4.14Å; I135-I190 HydrophobicContact CG2-CG1 3.95Å; R186-I190 HydrophobicContact CG-CD1 3.87Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.05Å; R186-I190 PolarHBondContact O-N 3.25Å; H187-I190 PolarHBondContact O-N 3.17Å; I190-M193 PolarHBondContact O-N 3.02Å; I190-I194 HydrophobicContact CG2-CD1 3.79Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.24Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.02Å; I190-F200 HydrophobicContact CG2-CE1 4.37Å; I190-P202 HydrophobicContact CG2-CB 4.07Å; I190-P202 HydrophobicContact CG2-CG 3.96Å; I190-Y206 HydrophobicContact CB-CE2 4.36Å; I190-Y206 HydrophobicContact CD1-CD1 4.07Å; I190-Y206 HydrophobicContact CD1-CD2 3.39Å; I190-Y206 HydrophobicContact CD1-CE1 4.39Å; I190-Y206 HydrophobicContact CD1-CE2 3.79Å; I190-Y206 HydrophobicContact CD1-CG 3.52Å; I190-Y206 HydrophobicContact CG2-CD1 4.15Å; I190-Y206 HydrophobicContact CG2-CE1 3.63Å; I190-Y206 HydrophobicContact CG2-CE2 4.26Å |
| 191 | T | 90.3 | Very high | 90.9 | Very high | 73 Ų | 73 | 70 Ų | 70 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 175 | -67 | 0 | 0 | 0 | 0 | 112.3 | H187 S188 L189 A195 | H187-T191 PolarHBondContact CE1-OG1 2.9Å; H187-T191 PolarHBondContact O-N 2.91Å; H187-T191 PolarHBondContact O-OG1 2.84Å; S188-T191 PolarHBondContact O-N 3.33Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.95Å; T191-A195 PolarHBondContact O-N 3.04Å |
| 192 | E | 92.4 | Very high | 91 | Very high | 72 Ų | 72 | 66 Ų | 66 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 171.9 | -176.8 | 173.3 | 178.3 | 0 | 0 | 111.2 | R127 V131 S188 L189 I194 A195 L196 | R127-E192 IonicContact NH1-OE1 3.55Å; V131-E192 HydrophobicContact CG2-CG 4.41Å; S188-E192 PolarHBondContact O-N 3.37Å; L189-E192 PolarHBondContact O-N 2.86Å; E192-I194 PolarHBondContact O-N 2.75Å; E192-A195 PolarHBondContact O-N 2.81Å; E192-L196 HydrophobicContact CG-CD1 3.93Å; E192-L196 HydrophobicContact CG-CG 4.41Å; E192-L196 WeakPolarHBondContact O-CG 3.41Å; E192-L196 PolarHBondContact O-N 3.16Å |
| 193 | M | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177.5 | 173.1 | 60.5 | 87.1 | 0 | 0 | 112.8 | A128 V131 Q132 I135 L189 I190 A195 L196 N197 F200 | A128-M193 HydrophobicContact CB-CE 4.18Å; A128-M193 HydrophobicContact CB-SD 3.97Å; A128-M193 WeakPolarHBondContact O-CE 3.44Å; V131-M193 HydrophobicContact CG1-CB 3.84Å; V131-M193 HydrophobicContact CG1-CE 4.5Å; Q132-M193 HydrophobicContact CB-CE 3.55Å; Q132-M193 HydrophobicContact CG-CE 4.05Å; I135-M193 HydrophobicContact CD1-CB 4Å; I135-M193 HydrophobicContact CD1-CG 4.42Å; L189-M193 VanDerWaalsContact O-CB 3.31Å; L189-M193 WeakPolarHBondContact O-CB 3.45Å; L189-M193 PolarHBondContact O-N 3.4Å; I190-M193 PolarHBondContact O-N 3.02Å; M193-A195 PolarHBondContact O-N 3.39Å; M193-L196 PolarHBondContact O-N 2.85Å; M193-L196 VanDerWaalsContact O-N 3.15Å; M193-N197 PolarHBondContact O-N 3.1Å; M193-N197 HydrophobicContact SD-CB 4.18Å; M193-F200 HydrophobicContact CB-CD1 4.21Å; M193-F200 HydrophobicContact CB-CE1 4.29Å; M193-F200 HydrophobicContact CB-CG 4.48Å; M193-F200 HydrophobicContact CE-CD2 4.02Å; M193-F200 HydrophobicContact CE-CE2 4.07Å; M193-F200 HydrophobicContact CG-CB 3.75Å; M193-F200 HydrophobicContact CG-CD1 3.27Å; M193-F200 HydrophobicContact CG-CD2 3.43Å; M193-F200 VanDerWaalsContact CG-CD2 3.43Å; M193-F200 HydrophobicContact CG-CE1 3.58Å; M193-F200 HydrophobicContact CG-CE2 3.76Å; M193-F200 HydrophobicContact CG-CG 3.17Å; M193-F200 HydrophobicContact CG-CZ 3.82Å; M193-F200 HydrophobicContact SD-CB 4.1Å; M193-F200 HydrophobicContact SD-CD2 3.79Å; M193-F200 HydrophobicContact SD-CE2 4.34Å; M193-F200 HydrophobicContact SD-CG 3.9Å |
| 194 | I | 91.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 68.6 Ų | 68.6 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -32.5 | 179.2 | -68.7 | 163.2 | 0 | 0 | 0 | 111.2 | I190 E192 N197 F200 P202 | I190-I194 HydrophobicContact CG2-CD1 3.79Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.24Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.02Å; E192-I194 PolarHBondContact O-N 2.75Å; I194-N197 CarbonylContact O-C 3.54Å; I194-F200 HydrophobicContact CG1-CD1 4.05Å; I194-P202 HydrophobicContact CD1-CG 4.03Å |
| 195 | A | 90.3 | Very high | 90.1 | Very high | 87 Ų | 87 | 67.8 Ų | 67.8 | 72% | 0.719 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.3 | -31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T191 E192 M193 | T191-A195 PolarHBondContact O-N 3.04Å; E192-A195 PolarHBondContact O-N 2.81Å; M193-A195 PolarHBondContact O-N 3.39Å |
| 196 | L | 90.9 | Very high | 89.8 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -81.5 | -29.4 | 175.7 | -66.8 | 172.2 | 0 | 0 | 0 | 113.2 | D124 R127 A128 E192 M193 | D124-L196 HydrophobicContact CB-CD2 4.12Å; R127-L196 HydrophobicContact CB-CD1 3.69Å; A128-L196 HydrophobicContact CB-CB 4.39Å; A128-L196 HydrophobicContact CB-CD1 4.48Å; E192-L196 HydrophobicContact CG-CD1 3.93Å; E192-L196 HydrophobicContact CG-CG 4.41Å; E192-L196 WeakPolarHBondContact O-CG 3.41Å; E192-L196 PolarHBondContact O-N 3.16Å; M193-L196 PolarHBondContact O-N 2.85Å; M193-L196 VanDerWaalsContact O-N 3.15Å |
| 197 | N | 88.6 | Confident | 89.2 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | trans | -145.7 | 103.1 | -177.5 | -179.3 | 7.6 | 0 | 0 | 0 | 111.2 | M193 I194 D199 F200 | M193-N197 PolarHBondContact O-N 3.1Å; M193-N197 HydrophobicContact SD-CB 4.18Å; I194-N197 CarbonylContact O-C 3.54Å; N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 2.89Å; N197-D199 PolarHBondContact OD1-N 3.23Å; N197-D199 VanDerWaalsContact OD1-N 3.11Å; N197-F200 HydrophobicContact CB-CB 4.33Å; N197-F200 VanDerWaalsContact O-CB 3.26Å; N197-F200 WeakPolarHBondContact O-CB 3.5Å; N197-F200 PolarHBondContact O-N 3.06Å; N197-F200 VanDerWaalsContact O-N 3.15Å | ||
| 198 | P | 89.8 | Confident | 88.6 | Confident | 111 Ų | 111 | 74 Ų | 74 | 72% | 0.721 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.4 | -179.2 | 29.6 | -35.6 | 0 | 0 | 0 | 113.9 | F200 | P198-F200 VanDerWaalsContact C-N 3.27Š|
| 199 | D | 90.8 | Very high | 87.7 | Confident | 139 Ų | 139 | 73.4 Ų | 73.4 | 74% | 0.743 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.1 | 174.6 | -69.8 | -53.9 | 0 | 0 | 0 | 112.9 | N197 K201 | N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 2.89Å; N197-D199 PolarHBondContact OD1-N 3.23Å; N197-D199 VanDerWaalsContact OD1-N 3.11Å; D199-K201 PolarHBondContact O-N 3.04Å |
| 200 | F | 90.4 | Very high | 86.4 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 15% | 0.149 | 45% | 0.451 | C | S | . | . | trans | -64.1 | 131.1 | 178.6 | 176.5 | -103.3 | 0 | 0 | 0 | 112 | Q132 I135 I190 M193 I194 N197 P198 P202 | Q132-F200 HydrophobicContact CG-CE2 4.46Å; I135-F200 HydrophobicContact CD1-CZ 4.13Å; I190-F200 HydrophobicContact CG2-CE1 4.37Å; M193-F200 HydrophobicContact CB-CD1 4.21Å; M193-F200 HydrophobicContact CB-CE1 4.29Å; M193-F200 HydrophobicContact CB-CG 4.48Å; M193-F200 HydrophobicContact CE-CD2 4.02Å; M193-F200 HydrophobicContact CE-CE2 4.07Å; M193-F200 HydrophobicContact CG-CB 3.75Å; M193-F200 HydrophobicContact CG-CD1 3.27Å; M193-F200 HydrophobicContact CG-CD2 3.43Å; M193-F200 VanDerWaalsContact CG-CD2 3.43Å; M193-F200 HydrophobicContact CG-CE1 3.58Å; M193-F200 HydrophobicContact CG-CE2 3.76Å; M193-F200 HydrophobicContact CG-CG 3.17Å; M193-F200 HydrophobicContact CG-CZ 3.82Å; M193-F200 HydrophobicContact SD-CB 4.1Å; M193-F200 HydrophobicContact SD-CD2 3.79Å; M193-F200 HydrophobicContact SD-CE2 4.34Å; M193-F200 HydrophobicContact SD-CG 3.9Å; I194-F200 HydrophobicContact CG1-CD1 4.05Å; N197-F200 HydrophobicContact CB-CB 4.33Å; N197-F200 VanDerWaalsContact O-CB 3.26Å; N197-F200 WeakPolarHBondContact O-CB 3.5Å; N197-F200 PolarHBondContact O-N 3.06Å; N197-F200 VanDerWaalsContact O-N 3.15Å; P198-F200 VanDerWaalsContact C-N 3.27Å; F200-P202 HydrophobicContact CD1-CG 4.19Å; F200-P202 HydrophobicContact CE1-CB 4.2Å; F200-P202 HydrophobicContact CE1-CG 4Å; F200-P202 WeakPolarHBondContact O-CD 3.24Å | ||
| 201 | K | 88.6 | Confident | 85.4 | Confident | 183 Ų | 183 | 81.5 Ų | 81.5 | 80% | 0.796 | 48% | 0.477 | S | S | * | . | trans | -105 | 112 | 175.9 | -61.6 | -173.3 | -177.5 | -179.5 | 0 | 109.4 | D199 | D199-K201 PolarHBondContact O-N 3.04Š| ||
| 202 | P | 89 | Confident | 84.9 | Confident | 51 Ų | 51 | 87 Ų | 87 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | trans | -57.7 | 152.3 | 177.5 | -27.1 | 36.1 | 0 | 0 | 0 | 113 | I190 I194 F200 Y206 | I190-P202 HydrophobicContact CG2-CB 4.07Å; I190-P202 HydrophobicContact CG2-CG 3.96Å; I194-P202 HydrophobicContact CD1-CG 4.03Å; F200-P202 HydrophobicContact CD1-CG 4.19Å; F200-P202 HydrophobicContact CE1-CB 4.2Å; F200-P202 HydrophobicContact CE1-CG 4Å; F200-P202 WeakPolarHBondContact O-CD 3.24Å; P202-Y206 HydrophobicContact CB-CD1 3.54Å; P202-Y206 HydrophobicContact CB-CE1 4.13Å; P202-Y206 HydrophobicContact CB-CG 4.3Å; P202-Y206 HydrophobicContact CG-CD1 4.27Å; P202-Y206 HydrophobicContact CG-CE1 4.41Å | ||
| 203 | P | 86 | Confident | 84.7 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 25% | 0.247 | 48% | 0.484 | C | S | . | . | trans | -55.8 | 145.4 | 177.6 | -25.2 | 34.2 | 0 | 0 | 0 | 112.5 | I135 D205 Y206 | I135-P203 HydrophobicContact CG2-CG 3.89Å; P203-D205 PolarHBondContact O-N 3.32Å; P203-D205 VanDerWaalsContact O-N 3.11Å; P203-Y206 VanDerWaalsContact O-CB 3.26Å; P203-Y206 WeakPolarHBondContact O-CB 3.09Å; P203-Y206 PolarHBondContact O-N 3.49Å | ||
| 204 | A | 83.3 | Confident | 84.5 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 85% | 0.851 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y206 | A204-Y206 VanDerWaalsContact C-N 3.26Å; A204-Y206 PolarHBondContact O-N 3.08Å |
| 205 | D | 83 | Confident | 84.7 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.1 | 175.1 | -55 | -54.8 | 0 | 0 | 0 | 113.8 | R186 P203 | R186-D205 PolarHBondContact NH1-O 3.04Å; R186-D205 PolarHBondContact NH2-O 3.13Å; P203-D205 PolarHBondContact O-N 3.32Å; P203-D205 VanDerWaalsContact O-N 3.11Å |
| 206 | Y | 85.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 11% | 0.114 | 48% | 0.483 | C | S | . | . | trans | -91.5 | 115.2 | 174.8 | 171.7 | -105.1 | 0 | 0 | 0 | 110.3 | H187 I190 P202 P203 A204 P208 | H187-Y206 HydrophobicContact CB-CE2 4.16Å; H187-Y206 AromaticContact ND1-CE2 3.96Å; H187-Y206 AromaticContact ND1-CZ 3.87Å; H187-Y206 PolarHBondContact ND1-OH 2.86Å; I190-Y206 HydrophobicContact CB-CE2 4.36Å; I190-Y206 HydrophobicContact CD1-CD1 4.07Å; I190-Y206 HydrophobicContact CD1-CD2 3.39Å; I190-Y206 HydrophobicContact CD1-CE1 4.39Å; I190-Y206 HydrophobicContact CD1-CE2 3.79Å; I190-Y206 HydrophobicContact CD1-CG 3.52Å; I190-Y206 HydrophobicContact CG2-CD1 4.15Å; I190-Y206 HydrophobicContact CG2-CE1 3.63Å; I190-Y206 HydrophobicContact CG2-CE2 4.26Å; P202-Y206 HydrophobicContact CB-CD1 3.54Å; P202-Y206 HydrophobicContact CB-CE1 4.13Å; P202-Y206 HydrophobicContact CB-CG 4.3Å; P202-Y206 HydrophobicContact CG-CD1 4.27Å; P202-Y206 HydrophobicContact CG-CE1 4.41Å; P203-Y206 VanDerWaalsContact O-CB 3.26Å; P203-Y206 WeakPolarHBondContact O-CB 3.09Å; P203-Y206 PolarHBondContact O-N 3.49Å; A204-Y206 VanDerWaalsContact C-N 3.26Å; A204-Y206 PolarHBondContact O-N 3.08Å; Y206-P208 HydrophobicContact CE1-CB 3.93Å; Y206-P208 HydrophobicContact CE1-CG 4.42Å | ||
| 207 | K | 81.1 | Confident | 85 | Confident | 177 Ų | 177 | 84.7 Ų | 84.7 | 77% | 0.77 | 47% | 0.472 | S | S | * | . | trans | -104.7 | 118.8 | 163.8 | -63.5 | 178.8 | -173.1 | 179.6 | 0 | 106.4 | ||||
| 208 | P | 78.5 | Confident | 85.3 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | trans | -58.7 | 135.4 | 176.4 | 24.3 | -32.8 | 0 | 0 | 0 | 109.1 | Y206 A210 | Y206-P208 HydrophobicContact CE1-CB 3.93Å; Y206-P208 HydrophobicContact CE1-CG 4.42Å; P208-A210 PolarHBondContact O-N 3.19Å | ||
| 209 | P | 72.4 | Confident | 85.4 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 41% | 0.409 | 45% | 0.451 | S | S | . | . | trans | -54.2 | 124.9 | 175.7 | -29.5 | 38.6 | 0 | 0 | 0 | 110.9 | H187 T211 | H187-P209 HydrophobicContact CB-CG 4.31Å; P209-T211 WeakPolarHBondContact CB-OG1 3.35Å; P209-T211 PolarHBondContact O-N 3Å; P209-T211 PolarHBondContact O-OG1 3.44Å | ||
| 210 | A | 65.8 | Low | 85.4 | Confident | 96 Ų | 96 | 77 Ų | 77 | 79% | 0.793 | 43% | 0.425 | S | S | * | . | trans | -77.3 | 58.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P208 R212 | P208-A210 PolarHBondContact O-N 3.19Å; A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 2.88Å | ||
| 211 | T | 71.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | trans | -70.3 | 80.7 | -176.4 | -43.5 | 0 | 0 | 0 | 0 | 109.4 | P209 V213 | P209-T211 WeakPolarHBondContact CB-OG1 3.35Å; P209-T211 PolarHBondContact O-N 3Å; P209-T211 PolarHBondContact O-OG1 3.44Å; T211-V213 PolarHBondContact O-N 2.89Å | ||
| 212 | R | 80.1 | Confident | 85.3 | Confident | 188 Ų | 188 | 75.1 Ų | 75.1 | 71% | 0.709 | 42% | 0.423 | S | S | * | . | trans | -68 | 95.7 | 176.7 | -81.5 | -173.3 | 166.3 | 171.5 | -0.9 | 109.7 | A210 T285 A286 | A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 2.88Å; R212-T285 HydrophobicContact CB-CG2 3.85Å; R212-T285 HydrophobicContact CG-CG2 4.19Å; R212-A286 WeakPolarHBondContact CA-O 3.2Å | ||
| 213 | V | 87.5 | Confident | 85.4 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.6 | 171 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | T211 T285 A286 M289 V292 | T211-V213 PolarHBondContact O-N 2.89Å; V213-T285 CarbonylContact O-C 3.59Å; V213-T285 VanDerWaalsContact O-CA 3.31Å; V213-T285 WeakPolarHBondContact O-CA 3.42Å; V213-A286 PolarHBondContact N-O 3.4Å; V213-A286 PolarHBondContact O-N 3.05Å; V213-M289 HydrophobicContact CG1-CE 4.13Å; V213-M289 HydrophobicContact CG1-SD 3.66Å; V213-V292 HydrophobicContact CB-CG2 4.02Å; V213-V292 HydrophobicContact CG1-CG2 4.01Å; V213-V292 WeakPolarHBondContact O-CG2 3.4Å |
| 214 | S | 90.4 | Very high | 85.5 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 51% | 0.51 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.2 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | V284 | S214-V284 CarbonylContact C-O 3.58Å; S214-V284 WeakPolarHBondContact CA-O 3.31Å; S214-V284 VanDerWaalsContact CB-O 3.24Å; S214-V284 WeakPolarHBondContact CB-O 3.47Å |
| 215 | D | 94.3 | Very high | 85.7 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 29% | 0.289 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 153.3 | 178.8 | -169.6 | 9.3 | 0 | 0 | 0 | 109.6 | V284 V292 V296 | D215-V284 PolarHBondContact N-O 2.95Å; D215-V284 PolarHBondContact O-N 3.29Å; D215-V292 HydrophobicContact CB-CG1 3.37Å; D215-V296 HydrophobicContact CB-CG2 4.08Å |
| 216 | K | 94.1 | Very high | 85.9 | Confident | 68 Ų | 68 | 82.4 Ų | 82.4 | 30% | 0.296 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.4 | -175.3 | 177.9 | 176.9 | -71.7 | -145.3 | 0 | 109.9 | M218 E278 H281 | K216-M218 HydrophobicContact CD-SD 4.06Å; K216-M218 HydrophobicContact CG-SD 4.33Å; K216-E278 IonicContact NZ-OE1 2.92Å; K216-E278 PolarHBondContact NZ-OE1 3.06Å; K216-E278 IonicContact NZ-OE2 2.73Å; K216-E278 PolarHBondContact NZ-OE2 2.94Å; K216-H281 HydrophobicContact CD-CB 4.11Å; K216-H281 WeakPolarHBondContact CE-CD2 3.27Å; K216-H281 WeakPolarHBondContact CE-NE2 3.31Å; K216-H281 HydrophobicContact CG-CB 3.85Å; K216-H281 PolarHBondContact NZ-CE1 3.37Å; K216-H281 PolarHBondContact NZ-NE2 3.04Å; K216-H281 VanDerWaalsContact NZ-NE2 3.15Å |
| 217 | V | 95.1 | Very high | 86 | Confident | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.036 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.5 | 172.2 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | H281 A282 V284 V296 I299 R300 L303 | V217-H281 CarbonylContact O-C 3.58Å; V217-H281 WeakPolarHBondContact O-CA 3.41Å; V217-H281 WeakPolarHBondContact O-CB 3.45Å; V217-A282 HydrophobicContact CB-CB 4.41Å; V217-A282 PolarHBondContact N-O 3.01Å; V217-A282 PolarHBondContact O-N 3.24Å; V217-V284 HydrophobicContact CG2-CG2 4.28Å; V217-V296 HydrophobicContact CG2-CB 4.09Å; V217-V296 HydrophobicContact CG2-CG1 3.84Å; V217-V296 HydrophobicContact CG2-CG2 3.71Å; V217-I299 HydrophobicContact CB-CG2 4.2Å; V217-I299 HydrophobicContact CG1-CG2 3.9Å; V217-I299 HydrophobicContact CG2-CD1 4.48Å; V217-I299 HydrophobicContact CG2-CG2 4.38Å; V217-R300 HydrophobicContact CG1-CG 4.01Å; V217-L303 HydrophobicContact CG1-CD1 4.04Å |
| 218 | M | 93.5 | Very high | 86.4 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 143.5 | 172.4 | -57.9 | -62.6 | -65.6 | 0 | 0 | 110.3 | K216 P279 H281 | K216-M218 HydrophobicContact CD-SD 4.06Å; K216-M218 HydrophobicContact CG-SD 4.33Å; M218-P279 HydrophobicContact CE-CB 4.04Å; M218-P279 HydrophobicContact CE-CG 3.47Å; M218-P279 VanDerWaalsContact CE-CG 3.47Å; M218-H281 HydrophobicContact SD-CB 4.34Å |
| 219 | I | 93.2 | Very high | 87 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | trans | -119.1 | 117.9 | 177.7 | -61.4 | 173 | 0 | 0 | 0 | 107.4 | Q221 F229 L233 I254 L280 A282 L303 | I219-Q221 PolarHBondContact O-N 3.4Å; I219-F229 HydrophobicContact CG2-CB 3.56Å; I219-F229 HydrophobicContact CG2-CD2 3.73Å; I219-F229 HydrophobicContact CG2-CG 3.76Å; I219-L233 HydrophobicContact CD1-CD1 3.79Å; I219-I254 HydrophobicContact CD1-CG2 4.37Å; I219-L280 HydrophobicContact CB-CB 4.3Å; I219-L280 HydrophobicContact CB-CD2 3.99Å; I219-L280 HydrophobicContact CB-CG 3.95Å; I219-L280 HydrophobicContact CD1-CD2 4.39Å; I219-L280 HydrophobicContact CD1-CG 4.12Å; I219-L280 HydrophobicContact CG2-CD2 3.63Å; I219-L280 HydrophobicContact CG2-CG 4.17Å; I219-L280 PolarHBondContact N-O 3.29Å; I219-A282 HydrophobicContact CD1-CB 4.39Å; I219-L303 HydrophobicContact CB-CD2 4.41Å; I219-L303 HydrophobicContact CG1-CD1 4.22Å; I219-L303 HydrophobicContact CG1-CD2 4.16Å; I219-L303 HydrophobicContact CG2-CD2 3.83Å | ||
| 220 | P | 90.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -80.2 | 59.2 | -170.5 | 34.3 | -37.1 | 0 | 0 | 0 | 112.3 | D222 E223 Y224 F229 I307 | P220-D222 VanDerWaalsContact C-N 3.29Å; P220-D222 PolarHBondContact O-N 3.49Å; P220-E223 HydrophobicContact CB-CB 4.18Å; P220-E223 HydrophobicContact CB-CG 4.26Å; P220-E223 PolarHBondContact O-N 3.5Å; P220-Y224 HydrophobicContact CB-CD2 4.37Å; P220-Y224 HydrophobicContact CG-CD2 4.33Å; P220-Y224 PolarHBondContact O-N 2.95Å; P220-F229 HydrophobicContact CG-CE2 4.43Å; P220-F229 HydrophobicContact CG-CZ 4.32Å; P220-I307 HydrophobicContact CG-CD1 3.8Å | ||
| 221 | Q | 89.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.3 | -180 | -164.1 | 67.3 | 79.3 | 0 | 0 | 112.6 | I219 E223 Y224 P225 I227 L280 | I219-Q221 PolarHBondContact O-N 3.4Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; Q221-Y224 PolarHBondContact NE2-O 3.32Å; Q221-Y224 CarbonylContact O-C 3.51Å; Q221-P225 WeakPolarHBondContact O-CA 3.46Å; Q221-I227 PolarHBondContact NE2-O 3.29Å; Q221-L280 HydrophobicContact CB-CB 4.32Å; Q221-L280 HydrophobicContact CB-CD2 3.81Å; Q221-L280 HydrophobicContact CG-CD2 4.02Å |
| 222 | D | 87.6 | Confident | 90.2 | Very high | 138 Ų | 138 | 65.4 Ų | 65.4 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -23.8 | 178.1 | -54.4 | -46.7 | 0 | 0 | 0 | 112.3 | P220 | P220-D222 VanDerWaalsContact C-N 3.29Å; P220-D222 PolarHBondContact O-N 3.49Å |
| 223 | E | 90.7 | Very high | 90.8 | Very high | 138 Ų | 138 | 56.7 Ų | 56.7 | 65% | 0.645 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -34.8 | 176.7 | -64.2 | 165.7 | -139.7 | 0 | 0 | 111.9 | P220 Q221 | P220-E223 HydrophobicContact CB-CB 4.18Å; P220-E223 HydrophobicContact CB-CG 4.26Å; P220-E223 PolarHBondContact O-N 3.5Å; Q221-E223 VanDerWaalsContact C-N 3.34Å |
| 224 | Y | 88.2 | Confident | 91.1 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 31% | 0.314 | 31% | 0.308 | S | S | . | . | trans | -130.4 | 68.8 | -176 | -58.2 | -83.1 | 0 | 0 | 0 | 111.4 | P220 Q221 E226 I227 F229 I307 | P220-Y224 HydrophobicContact CB-CD2 4.37Å; P220-Y224 HydrophobicContact CG-CD2 4.33Å; P220-Y224 PolarHBondContact O-N 2.95Å; Q221-Y224 PolarHBondContact NE2-O 3.32Å; Q221-Y224 CarbonylContact O-C 3.51Å; Y224-E226 PolarHBondContact O-N 2.95Å; Y224-I227 HydrophobicContact CD1-CD1 4.09Å; Y224-I227 HydrophobicContact CG-CD1 4.07Å; Y224-I227 PolarHBondContact O-N 3.06Å; Y224-I227 VanDerWaalsContact O-N 3.15Å; Y224-F229 HydrophobicContact CD2-CZ 4.49Å; Y224-I307 HydrophobicContact CD1-CG2 4.37Å; Y224-I307 HydrophobicContact CD2-CD1 4.14Å; Y224-I307 HydrophobicContact CD2-CG1 4.07Å; Y224-I307 HydrophobicContact CD2-CG2 4.43Å; Y224-I307 HydrophobicContact CE1-CG2 3.8Å; Y224-I307 HydrophobicContact CE2-CD1 4.03Å; Y224-I307 HydrophobicContact CE2-CG1 4.18Å; Y224-I307 HydrophobicContact CE2-CG2 3.88Å; Y224-I307 HydrophobicContact CG-CG1 4.43Å | ||
| 225 | P | 87.4 | Confident | 91.2 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24.1 | -174.4 | 26.8 | -35.8 | 0 | 0 | 0 | 114 | Q221 I227 | Q221-P225 WeakPolarHBondContact O-CA 3.46Å; P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 2.93Å |
| 226 | E | 86.3 | Confident | 91.2 | Very high | 131 Ų | 131 | 52.8 Ų | 52.8 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -18.3 | 175.7 | 70.1 | -67.9 | 159.2 | 0 | 0 | 113.8 | Y224 | Y224-E226 PolarHBondContact O-N 2.95Š|
| 227 | I | 87.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -95.4 | 114.9 | -174.6 | -50.6 | -179.1 | 0 | 0 | 0 | 110.6 | Q221 Y224 P225 F229 G306 I307 | Q221-I227 PolarHBondContact NE2-O 3.29Å; Y224-I227 HydrophobicContact CD1-CD1 4.09Å; Y224-I227 HydrophobicContact CG-CD1 4.07Å; Y224-I227 PolarHBondContact O-N 3.06Å; Y224-I227 VanDerWaalsContact O-N 3.15Å; P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 2.93Å; I227-F229 VanDerWaalsContact C-N 3.29Å; I227-F229 HydrophobicContact CB-CD2 4.37Å; I227-F229 HydrophobicContact CB-CE1 4.09Å; I227-F229 HydrophobicContact CB-CE2 3.9Å; I227-F229 HydrophobicContact CB-CZ 3.75Å; I227-F229 HydrophobicContact CD1-CE1 4.45Å; I227-F229 HydrophobicContact CD1-CZ 4.03Å; I227-F229 HydrophobicContact CG1-CZ 4.44Å; I227-F229 HydrophobicContact CG2-CD1 3.76Å; I227-F229 HydrophobicContact CG2-CD2 4.39Å; I227-F229 HydrophobicContact CG2-CE1 3.5Å; I227-F229 HydrophobicContact CG2-CE2 4.17Å; I227-F229 HydrophobicContact CG2-CG 4.21Å; I227-F229 HydrophobicContact CG2-CZ 3.72Å; I227-F229 WeakPolarHBondContact O-CD2 3.24Å; I227-F229 PolarHBondContact O-N 2.87Å; I227-G306 WeakPolarHBondContact CD1-O 3.34Å; I227-I307 HydrophobicContact CD1-CG1 4.43Å |
| 228 | N | 89.6 | Confident | 91 | Very high | 101 Ų | 101 | 57 Ų | 57 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | trans | -79.7 | 72.1 | 177.5 | -170.1 | -11.3 | 0 | 0 | 0 | 112.1 | V230 G231 L232 | N228-V230 VanDerWaalsContact C-N 3.26Å; N228-V230 PolarHBondContact O-N 2.8Å; N228-G231 PolarHBondContact O-N 2.91Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 3.45Å; N228-L232 PolarHBondContact O-N 3.27Å | ||
| 229 | F | 91.4 | Very high | 91 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 179.4 | -63.4 | -66.5 | 0 | 0 | 0 | 113 | I219 P220 Y224 I227 L232 L233 L303 I307 | I219-F229 HydrophobicContact CG2-CB 3.56Å; I219-F229 HydrophobicContact CG2-CD2 3.73Å; I219-F229 HydrophobicContact CG2-CG 3.76Å; P220-F229 HydrophobicContact CG-CE2 4.43Å; P220-F229 HydrophobicContact CG-CZ 4.32Å; Y224-F229 HydrophobicContact CD2-CZ 4.49Å; I227-F229 VanDerWaalsContact C-N 3.29Å; I227-F229 HydrophobicContact CB-CD2 4.37Å; I227-F229 HydrophobicContact CB-CE1 4.09Å; I227-F229 HydrophobicContact CB-CE2 3.9Å; I227-F229 HydrophobicContact CB-CZ 3.75Å; I227-F229 HydrophobicContact CD1-CE1 4.45Å; I227-F229 HydrophobicContact CD1-CZ 4.03Å; I227-F229 HydrophobicContact CG1-CZ 4.44Å; I227-F229 HydrophobicContact CG2-CD1 3.76Å; I227-F229 HydrophobicContact CG2-CD2 4.39Å; I227-F229 HydrophobicContact CG2-CE1 3.5Å; I227-F229 HydrophobicContact CG2-CE2 4.17Å; I227-F229 HydrophobicContact CG2-CG 4.21Å; I227-F229 HydrophobicContact CG2-CZ 3.72Å; I227-F229 WeakPolarHBondContact O-CD2 3.24Å; I227-F229 PolarHBondContact O-N 2.87Å; F229-L232 PolarHBondContact O-N 3.09Å; F229-L233 WeakPolarHBondContact O-CB 3.35Å; F229-L233 WeakPolarHBondContact O-CG 3.43Å; F229-L233 PolarHBondContact O-N 2.81Å; F229-L303 HydrophobicContact CB-CD2 4.07Å; F229-L303 HydrophobicContact CD1-CD2 3.57Å; F229-L303 HydrophobicContact CE1-CD2 4.19Å; F229-L303 HydrophobicContact CG-CD2 3.94Å; F229-I307 HydrophobicContact CE1-CD1 4.36Å; F229-I307 HydrophobicContact CE1-CG1 3.81Å; F229-I307 HydrophobicContact CZ-CD1 4.2Å; F229-I307 HydrophobicContact CZ-CG1 3.71Å |
| 230 | V | 92.1 | Very high | 91 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | N228 I234 I254 L280 | N228-V230 VanDerWaalsContact C-N 3.26Å; N228-V230 PolarHBondContact O-N 2.8Å; V230-I234 HydrophobicContact CG1-CD1 3.65Å; V230-I234 HydrophobicContact CG1-CG1 4.41Å; V230-I234 VanDerWaalsContact O-CB 3.31Å; V230-I234 WeakPolarHBondContact O-CB 3.18Å; V230-I234 WeakPolarHBondContact O-CG1 3.49Å; V230-I234 PolarHBondContact O-N 2.84Å; V230-I254 HydrophobicContact CG1-CD1 4.2Å; V230-L280 HydrophobicContact CG2-CD1 4.09Å; V230-L280 HydrophobicContact CG2-CD2 3.75Å |
| 231 | G | 91.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N228 G235 | N228-G231 PolarHBondContact O-N 2.91Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 3.45Å; G231-G235 PolarHBondContact O-N 3.18Å |
| 232 | L | 92.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | -178.7 | -172 | 65.5 | 0 | 0 | 0 | 113.1 | N228 F229 I302 L316 R317 Q320 | N228-L232 PolarHBondContact O-N 3.27Å; F229-L232 PolarHBondContact O-N 3.09Å; L232-I302 HydrophobicContact CD2-CG2 3.88Å; L232-I302 HydrophobicContact CG-CG2 3.8Å; L232-L316 HydrophobicContact CD1-CD2 4.23Å; L232-L316 HydrophobicContact CD1-CG 4.15Å; L232-R317 HydrophobicContact CD1-CB 3.91Å; L232-R317 HydrophobicContact CD1-CG 4.47Å; L232-Q320 PolarHBondContact O-NE2 3.11Å; L232-Q320 PolarHBondContact O-OE1 3.44Å |
| 233 | L | 93.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.5 | -36.3 | 177.4 | -74 | 168.1 | 0 | 0 | 0 | 112.7 | I219 F229 L241 I254 I299 I302 L303 | I219-L233 HydrophobicContact CD1-CD1 3.79Å; F229-L233 WeakPolarHBondContact O-CB 3.35Å; F229-L233 WeakPolarHBondContact O-CG 3.43Å; F229-L233 PolarHBondContact O-N 2.81Å; L233-L241 PolarHBondContact O-N 2.96Å; L233-I254 HydrophobicContact CB-CD1 4.36Å; L233-I299 HydrophobicContact CD1-CG2 4.38Å; L233-I299 HydrophobicContact CD2-CB 4.47Å; L233-I299 HydrophobicContact CD2-CG1 4.46Å; L233-I299 HydrophobicContact CD2-CG2 4Å; L233-I302 HydrophobicContact CD2-CB 4Å; L233-I302 HydrophobicContact CD2-CD1 4.26Å; L233-I302 HydrophobicContact CD2-CG2 3.75Å; L233-I302 HydrophobicContact CG-CG2 4.33Å; L233-L303 HydrophobicContact CD1-CD2 4.15Å |
| 234 | I | 93.9 | Very high | 92 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.1 | -48.2 | 177.9 | -66.8 | 177.6 | 0 | 0 | 0 | 110.7 | V230 G238 T240 L241 I254 | V230-I234 HydrophobicContact CG1-CD1 3.65Å; V230-I234 HydrophobicContact CG1-CG1 4.41Å; V230-I234 VanDerWaalsContact O-CB 3.31Å; V230-I234 WeakPolarHBondContact O-CB 3.18Å; V230-I234 WeakPolarHBondContact O-CG1 3.49Å; V230-I234 PolarHBondContact O-N 2.84Å; I234-G238 CarbonylContact O-C 3.57Å; I234-G238 VanDerWaalsContact O-C 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.41Å; I234-T240 PolarHBondContact O-N 2.99Å; I234-L241 PolarHBondContact O-N 2.92Å; I234-I254 HydrophobicContact CD1-CD1 4.18Å; I234-I254 HydrophobicContact CG1-CD1 3.88Å |
| 235 | G | 93.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | trans | 67.1 | -176.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G231 R237 G238 | G231-G235 PolarHBondContact O-N 3.18Å; G235-R237 PolarHBondContact O-N 2.8Å; G235-G238 PolarHBondContact O-N 2.73Å; G235-G238 VanDerWaalsContact O-N 3.13Å | ||
| 236 | P | 93.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -59.8 | 123.4 | -176.2 | 23.2 | -33 | 0 | 0 | 0 | 111.2 | G238 N239 E323 L324 L327 | P236-G238 PolarHBondContact O-N 3.44Å; P236-N239 WeakPolarHBondContact O-CB 3.18Å; P236-N239 PolarHBondContact O-N 3.48Å; P236-E323 HydrophobicContact CB-CG 4.31Å; P236-E323 HydrophobicContact CG-CB 4.09Å; P236-E323 HydrophobicContact CG-CG 3.72Å; P236-L324 HydrophobicContact CB-CB 4.11Å; P236-L324 HydrophobicContact CB-CD1 4.22Å; P236-L327 HydrophobicContact CB-CD1 4.03Å |
| 237 | R | 91 | Very high | 93.1 | Very high | 151 Ų | 151 | 51.2 Ų | 51.2 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | 53.5 | 22.1 | -177.8 | -57.9 | -174.7 | 177.5 | 158.9 | 6.5 | 114.9 | G235 N239 K242 L327 | G235-R237 PolarHBondContact O-N 2.8Å; R237-N239 VanDerWaalsContact C-N 3.3Å; R237-K242 PolarHBondContact O-NZ 3.07Å; R237-L327 PolarHBondContact NH2-O 3.19Å |
| 238 | G | 92.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | 75.6 | 14.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | I234 G235 P236 K242 | I234-G238 CarbonylContact O-C 3.57Å; I234-G238 VanDerWaalsContact O-C 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.41Å; G235-G238 PolarHBondContact O-N 2.73Å; G235-G238 VanDerWaalsContact O-N 3.13Å; P236-G238 PolarHBondContact O-N 3.44Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 WeakPolarHBondContact O-CD 3.36Å; G238-K242 WeakPolarHBondContact O-CG 3.37Å; G238-K242 PolarHBondContact O-N 3.21Å; G238-K242 VanDerWaalsContact O-N 3.09Å |
| 239 | N | 94.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | -174.5 | -69.9 | -5 | 0 | 0 | 0 | 112.3 | P236 R237 N243 | P236-N239 WeakPolarHBondContact O-CB 3.18Å; P236-N239 PolarHBondContact O-N 3.48Å; R237-N239 VanDerWaalsContact C-N 3.3Å; N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 PolarHBondContact O-N 3.31Å |
| 240 | T | 94.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.172 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -49 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | I234 K242 N243 I244 Q320 | I234-T240 PolarHBondContact O-N 2.99Å; T240-K242 PolarHBondContact O-N 3.35Å; T240-N243 WeakPolarHBondContact O-CB 3.42Å; T240-N243 PolarHBondContact O-N 2.83Å; T240-N243 VanDerWaalsContact O-N 3.11Å; T240-I244 HydrophobicContact CG2-CD1 4.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.21Å; T240-I244 PolarHBondContact O-N 3.04Å; T240-I244 VanDerWaalsContact O-N 3.09Å; T240-Q320 PolarHBondContact OG1-NE2 3.31Å |
| 241 | L | 95.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 175.9 | -172.1 | 67.7 | 0 | 0 | 0 | 111.9 | L233 I234 N243 I244 E245 I252 | L233-L241 PolarHBondContact O-N 2.96Å; I234-L241 PolarHBondContact O-N 2.92Å; L241-N243 PolarHBondContact O-N 2.9Å; L241-I244 PolarHBondContact O-N 3.1Å; L241-E245 WeakPolarHBondContact O-CG 3.45Å; L241-E245 PolarHBondContact O-N 3.25Å; L241-I252 HydrophobicContact CD1-CB 3.83Å; L241-I252 HydrophobicContact CD1-CD1 4.09Å; L241-I252 HydrophobicContact CD1-CG2 3.69Å |
| 242 | K | 95.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -32.8 | 177.3 | -71.4 | 164.6 | -172.2 | 158.9 | 0 | 112.7 | R237 G238 T240 K246 | R237-K242 PolarHBondContact O-NZ 3.07Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 WeakPolarHBondContact O-CD 3.36Å; G238-K242 WeakPolarHBondContact O-CG 3.37Å; G238-K242 PolarHBondContact O-N 3.21Å; G238-K242 VanDerWaalsContact O-N 3.09Å; T240-K242 PolarHBondContact O-N 3.35Å; K242-K246 VanDerWaalsContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CB 3.41Å; K242-K246 PolarHBondContact O-N 3.07Å |
| 243 | N | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 177.2 | -163 | 67.2 | 0 | 0 | 0 | 111.2 | N239 T240 L241 K246 E247 | N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 PolarHBondContact O-N 3.31Å; T240-N243 WeakPolarHBondContact O-CB 3.42Å; T240-N243 PolarHBondContact O-N 2.83Å; T240-N243 VanDerWaalsContact O-N 3.11Å; L241-N243 PolarHBondContact O-N 2.9Å; N243-K246 PolarHBondContact O-N 2.93Å; N243-E247 PolarHBondContact ND2-OE1 2.95Å; N243-E247 WeakPolarHBondContact O-CB 3.37Å; N243-E247 WeakPolarHBondContact O-CG 3.39Å; N243-E247 PolarHBondContact O-N 3.43Å |
| 244 | I | 94.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175 | -54.6 | 160.5 | 0 | 0 | 0 | 110.5 | T240 L241 K246 E247 C248 I252 Q298 I302 | T240-I244 HydrophobicContact CG2-CD1 4.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.21Å; T240-I244 PolarHBondContact O-N 3.04Å; T240-I244 VanDerWaalsContact O-N 3.09Å; L241-I244 PolarHBondContact O-N 3.1Å; I244-K246 VanDerWaalsContact C-N 3.31Å; I244-K246 PolarHBondContact O-N 3.3Å; I244-E247 PolarHBondContact O-N 2.99Å; I244-C248 VanDerWaalsContact O-CB 3.31Å; I244-C248 WeakPolarHBondContact O-CB 3.28Å; I244-C248 PolarHBondContact O-N 3.07Å; I244-C248 PolarHBondContact O-SG 3.31Å; I244-C248 VanDerWaalsContact O-SG 3.41Å; I244-I252 HydrophobicContact CB-CD1 4.02Å; I244-I252 HydrophobicContact CG2-CD1 3.66Å; I244-Q298 HydrophobicContact CG2-CB 4.15Å; I244-I302 HydrophobicContact CD1-CD1 3.59Å |
| 245 | E | 95.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 174.8 | -73.4 | -168.1 | 124.1 | 0 | 0 | 112 | L241 C249 A250 K251 I252 | L241-E245 WeakPolarHBondContact O-CG 3.45Å; L241-E245 PolarHBondContact O-N 3.25Å; E245-C249 WeakPolarHBondContact O-CA 3.43Å; E245-C249 PolarHBondContact O-N 2.97Å; E245-A250 CarbonylContact C-O 3.56Å; E245-A250 WeakPolarHBondContact CA-O 3.45Å; E245-A250 WeakPolarHBondContact CB-O 3.36Å; E245-A250 WeakPolarHBondContact CG-O 3.23Å; E245-A250 PolarHBondContact O-N 3.04Å; E245-K251 WeakPolarHBondContact OE1-CA 3.09Å; E245-I252 HydrophobicContact CG-CB 4.12Å; E245-I252 HydrophobicContact CG-CD1 3.91Å; E245-I252 HydrophobicContact CG-CG1 3.95Å; E245-I252 PolarHBondContact OE1-N 2.92Å |
| 246 | K | 95.1 | Very high | 93.3 | Very high | 162 Ų | 162 | 59.3 Ų | 59.3 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.9 | -47.3 | 178.6 | -177.7 | -171.1 | 173.5 | -164.5 | 0 | 112.7 | K242 N243 I244 C248 C249 | K242-K246 VanDerWaalsContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CB 3.41Å; K242-K246 PolarHBondContact O-N 3.07Å; N243-K246 PolarHBondContact O-N 2.93Å; I244-K246 VanDerWaalsContact C-N 3.31Å; I244-K246 PolarHBondContact O-N 3.3Å; K246-C248 VanDerWaalsContact C-N 3.31Å; K246-C248 PolarHBondContact O-N 3.41Å; K246-C249 PolarHBondContact O-N 3.5Å |
| 247 | E | 93.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 64 Ų | 64 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.4 | -23.5 | -176.9 | -74.6 | -179.4 | -176.4 | 0 | 0 | 113.6 | N243 I244 K294 | N243-E247 PolarHBondContact ND2-OE1 2.95Å; N243-E247 WeakPolarHBondContact O-CB 3.37Å; N243-E247 WeakPolarHBondContact O-CG 3.39Å; N243-E247 PolarHBondContact O-N 3.43Å; I244-E247 PolarHBondContact O-N 2.99Å; E247-K294 PolarHBondContact O-NZ 3.3Å |
| 248 | C | 92.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -1.4 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | I244 K246 A250 N291 K294 A295 | I244-C248 VanDerWaalsContact O-CB 3.31Å; I244-C248 WeakPolarHBondContact O-CB 3.28Å; I244-C248 PolarHBondContact O-N 3.07Å; I244-C248 PolarHBondContact O-SG 3.31Å; I244-C248 VanDerWaalsContact O-SG 3.41Å; K246-C248 VanDerWaalsContact C-N 3.31Å; K246-C248 PolarHBondContact O-N 3.41Å; C248-A250 HydrophobicContact CB-CB 4.19Å; C248-A250 PolarHBondContact O-N 3.26Å; C248-N291 WeakPolarHBondContact O-CB 3.41Å; C248-N291 PolarHBondContact O-ND2 3.43Å; C248-K294 HydrophobicContact CB-CD 4.44Å; C248-A295 HydrophobicContact CB-CB 3.69Å |
| 249 | C | 91.1 | Very high | 91.7 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 48.8 | -174.4 | -71.3 | 0 | 0 | 0 | 0 | 112 | E245 K246 N291 | E245-C249 WeakPolarHBondContact O-CA 3.43Å; E245-C249 PolarHBondContact O-N 2.97Å; K246-C249 PolarHBondContact O-N 3.5Å; C249-N291 WeakPolarHBondContact CB-ND2 3.36Å; C249-N291 PolarHBondContact O-ND2 2.95Å |
| 250 | A | 94.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E245 C248 V284 A286 A295 | E245-A250 CarbonylContact C-O 3.56Å; E245-A250 WeakPolarHBondContact CA-O 3.45Å; E245-A250 WeakPolarHBondContact CB-O 3.36Å; E245-A250 WeakPolarHBondContact CG-O 3.23Å; E245-A250 PolarHBondContact O-N 3.04Å; C248-A250 HydrophobicContact CB-CB 4.19Å; C248-A250 PolarHBondContact O-N 3.26Å; A250-V284 HydrophobicContact CB-CG1 4.18Å; A250-A286 HydrophobicContact CB-CB 3.75Å; A250-A295 HydrophobicContact CB-CB 4.05Å |
| 251 | K | 94.3 | Very high | 90.1 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.8 | 170.6 | -176.9 | 172.8 | -177.7 | 175.8 | 0 | 109.7 | E245 M253 V284 T285 | E245-K251 WeakPolarHBondContact OE1-CA 3.09Å; K251-M253 HydrophobicContact CD-SD 4.48Å; K251-M253 HydrophobicContact CG-CG 4.41Å; K251-V284 CarbonylContact O-C 3.51Å; K251-V284 WeakPolarHBondContact O-CA 3.44Å; K251-T285 PolarHBondContact N-O 3.08Å; K251-T285 PolarHBondContact O-N 3Å |
| 252 | I | 94.9 | Very high | 88.6 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 5% | 0.046 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.5 | -178.5 | -56.2 | 164.5 | 0 | 0 | 0 | 109.1 | L241 I244 E245 A282 V284 I299 | L241-I252 HydrophobicContact CD1-CB 3.83Å; L241-I252 HydrophobicContact CD1-CD1 4.09Å; L241-I252 HydrophobicContact CD1-CG2 3.69Å; I244-I252 HydrophobicContact CB-CD1 4.02Å; I244-I252 HydrophobicContact CG2-CD1 3.66Å; E245-I252 HydrophobicContact CG-CB 4.12Å; E245-I252 HydrophobicContact CG-CD1 3.91Å; E245-I252 HydrophobicContact CG-CG1 3.95Å; E245-I252 PolarHBondContact OE1-N 2.92Å; I252-A282 HydrophobicContact CG2-CB 4.21Å; I252-V284 HydrophobicContact CG1-CG2 4.41Å; I252-I299 HydrophobicContact CD1-CD1 4.05Å; I252-I299 HydrophobicContact CG1-CD1 4.35Å; I252-I299 HydrophobicContact CG2-CD1 4.05Å |
| 253 | M | 92.5 | Very high | 87 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 109.5 | 178.7 | -62.4 | -177.3 | -63.6 | 0 | 0 | 109.9 | K251 L283 | K251-M253 HydrophobicContact CD-SD 4.48Å; K251-M253 HydrophobicContact CG-CG 4.41Å; M253-L283 HydrophobicContact CE-CD2 3.98Å; M253-L283 HydrophobicContact CE-CG 4.41Å; M253-L283 PolarHBondContact N-O 2.83Å; M253-L283 PolarHBondContact O-N 3.45Å |
| 254 | I | 92.6 | Very high | 85.3 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.7 | 170.2 | -45.8 | -179.1 | 0 | 0 | 0 | 108.3 | I219 V230 L233 I234 S259 L280 H281 | I219-I254 HydrophobicContact CD1-CG2 4.37Å; V230-I254 HydrophobicContact CG1-CD1 4.2Å; L233-I254 HydrophobicContact CB-CD1 4.36Å; I234-I254 HydrophobicContact CD1-CD1 4.18Å; I234-I254 HydrophobicContact CG1-CD1 3.88Å; I254-S259 WeakPolarHBondContact CG2-OG 3.47Å; I254-S259 PolarHBondContact O-OG 2.77Å; I254-L280 HydrophobicContact CG2-CD1 3.84Å; I254-H281 CarbonylContact C-O 3.59Å; I254-H281 WeakPolarHBondContact CA-O 3.28Å |
| 255 | R | 90.1 | Very high | 83.5 | Confident | 103 Ų | 103 | 83.5 Ų | 83.5 | 39% | 0.389 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 166.5 | -173.8 | -72.4 | -175.2 | 173.9 | -153.4 | -3.2 | 110.8 | S259 H281 | R255-S259 PolarHBondContact N-OG 3.45Å; R255-H281 WeakPolarHBondContact CB-NE2 3.46Å; R255-H281 PolarHBondContact N-O 3.09Å; R255-H281 PolarHBondContact O-N 3.3Å |
| 256 | G | 87.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 84.4 Ų | 84.4 | 14% | 0.144 | 47% | 0.467 | C | S | . | . | S | Bend | trans | 89.2 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G258 S259 E278 | G256-G258 PolarHBondContact O-N 2.92Å; G256-S259 WeakPolarHBondContact O-CB 3.22Å; G256-S259 PolarHBondContact O-N 2.97Å; G256-E278 CarbonylContact C-O 3.46Å; G256-E278 WeakPolarHBondContact CA-O 3.41Å |
| 257 | K | 82.9 | Confident | 79.3 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 47% | 0.474 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 130.2 | -178 | -71.2 | 164.2 | 173.3 | 149.1 | 0 | 111.2 | S259 E276 D277 E278 L280 | K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.97Å; K257-E276 WeakPolarHBondContact CG-O 3.36Å; K257-D277 VanDerWaalsContact CE-O 3.26Å; K257-D277 WeakPolarHBondContact CE-O 3.43Å; K257-D277 WeakPolarHBondContact CE-OD2 3.32Å; K257-D277 PolarHBondContact NZ-O 3.16Å; K257-D277 IonicContact NZ-OD2 3.09Å; K257-D277 PolarHBondContact NZ-OD2 3.4Å; K257-E278 PolarHBondContact N-O 2.81Å; K257-L280 WeakPolarHBondContact O-CB 3.2Å; K257-L280 WeakPolarHBondContact O-CD1 3.32Å |
| 258 | G | 78.1 | Confident | 77.3 | Confident | 62 Ų | 62 | 90.7 Ų | 90.7 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -6.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G256 V260 | G256-G258 PolarHBondContact O-N 2.92Å; G258-V260 VanDerWaalsContact C-N 3.25Å; G258-V260 PolarHBondContact O-N 3.43Å |
| 259 | S | 81.3 | Confident | 75.5 | Confident | 26 Ų | 26 | 96.8 Ų | 96.8 | 18% | 0.182 | 52% | 0.519 | C | S | . | . | trans | -67.6 | -18.4 | -176.4 | -178.7 | 0 | 0 | 0 | 0 | 115.1 | I254 R255 G256 K257 | I254-S259 WeakPolarHBondContact CG2-OG 3.47Å; I254-S259 PolarHBondContact O-OG 2.77Å; R255-S259 PolarHBondContact N-OG 3.45Å; G256-S259 WeakPolarHBondContact O-CB 3.22Å; G256-S259 PolarHBondContact O-N 2.97Å; K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.97Å | ||
| 260 | V | 78.9 | Confident | 73.8 | Confident | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -110.9 | 131.4 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | G258 E262 K264 V265 | G258-V260 VanDerWaalsContact C-N 3.25Å; G258-V260 PolarHBondContact O-N 3.43Å; V260-E262 PolarHBondContact O-N 2.97Å; V260-K264 HydrophobicContact CG1-CB 4.27Å; V260-V265 HydrophobicContact CB-CG2 3.75Å; V260-V265 HydrophobicContact CG1-CG2 3.62Å; V260-V265 HydrophobicContact CG2-CG2 4.18Å |
| 261 | K | 77.1 | Confident | 72 | Confident | 179 Ų | 179 | 103.8 Ų | 103.8 | 78% | 0.778 | 56% | 0.561 | S | S | * | * | trans | -55 | 127.5 | 176 | -176.9 | 172 | -179.8 | 175 | 0 | 110 | K264 | K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.06Å; K261-K264 VanDerWaalsContact O-N 3.13Å | ||
| 262 | E | 63.1 | Low | 70 | Confident | 189 Ų | 189 | 104.3 Ų | 104.3 | 88% | 0.883 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | 140.9 | 179.6 | -163.4 | 170.2 | -166 | 0 | 0 | 112.1 | V260 K264 | V260-E262 PolarHBondContact O-N 2.97Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 3.34Å |
| 263 | G | 60.7 | Low | 68.1 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 88% | 0.876 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.7 | -1.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 264 | K | 60.7 | Low | 66.4 | Low | 175 Ų | 175 | 112.1 Ų | 112.1 | 76% | 0.761 | 62% | 0.617 | S | S | * | * | trans | -106.4 | -4.2 | 177.4 | -137.1 | 176.8 | -172.3 | -178.5 | 0 | 115.9 | V260 K261 E262 G266 | V260-K264 HydrophobicContact CG1-CB 4.27Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.06Å; K261-K264 VanDerWaalsContact O-N 3.13Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 3.34Å; K264-G266 PolarHBondContact O-N 2.87Å | ||
| 265 | V | 55.9 | Low | 64.7 | Low | 98 Ų | 98 | 112.1 Ų | 112.1 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | trans | -90 | 95.3 | 170.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | V260 | V260-V265 HydrophobicContact CB-CG2 3.75Å; V260-V265 HydrophobicContact CG1-CG2 3.62Å; V260-V265 HydrophobicContact CG2-CG2 4.18Å | ||
| 266 | G | 47.4 | Very low | 63.3 | Low | 69 Ų | 69 | 109.8 Ų | 109.8 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | trans | -136.5 | 47.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | K264 | K264-G266 PolarHBondContact O-N 2.87Š| ||
| 267 | R | 56 | Low | 62.2 | Low | 201 Ų | 201 | 114.9 Ų | 114.9 | 76% | 0.758 | 64% | 0.642 | S | S | * | * | trans | -83.5 | 138.8 | 160.7 | -68.2 | -173.6 | -178.7 | -119.5 | 0.8 | 108.1 | D269 | R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 PolarHBondContact O-N 2.87Å | ||
| 268 | K | 52.1 | Low | 62.1 | Low | 198 Ų | 198 | 113.4 Ų | 113.4 | 86% | 0.861 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -90.1 | 2.6 | -162.5 | -61 | -179.3 | -179.4 | -178.8 | 0 | 113.3 | ||
| 269 | D | 54.5 | Low | 62.6 | Low | 130 Ų | 130 | 113 Ų | 113 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -117.5 | 7.7 | -155 | -43.7 | -85.4 | 0 | 0 | 0 | 113 | R267 Q271 | R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 PolarHBondContact O-N 2.87Å; D269-Q271 PolarHBondContact O-N 2.92Å |
| 270 | G | 55.1 | Low | 63.1 | Low | 73 Ų | 73 | 112 Ų | 112 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | trans | 67.8 | -11.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | M272 | G270-M272 PolarHBondContact O-N 3.23Š| ||
| 271 | Q | 55.4 | Low | 63.7 | Low | 173 Ų | 173 | 108.3 Ų | 108.3 | 81% | 0.808 | 59% | 0.593 | S | S | * | * | trans | -67.5 | 99.5 | 173.9 | -76.1 | -164.4 | -10.2 | 0 | 0 | 111.1 | D269 | D269-Q271 PolarHBondContact O-N 2.92Š| ||
| 272 | M | 52.4 | Low | 64.5 | Low | 135 Ų | 135 | 99.9 Ų | 99.9 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | trans | -59.9 | 136.9 | 165.2 | -59 | -162.1 | 78.8 | 0 | 0 | 109.8 | G270 E276 | G270-M272 PolarHBondContact O-N 3.23Å; M272-E276 WeakPolarHBondContact CA-OE2 3.37Å; M272-E276 VanDerWaalsContact CB-OE2 3.31Å; M272-E276 WeakPolarHBondContact CB-OE2 3.15Å; M272-E276 HydrophobicContact CE-CB 3.91Å | ||
| 273 | L | 56.2 | Low | 66 | Low | 96 Ų | 96 | 92.3 Ų | 92.3 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | trans | -68.6 | 138.5 | 177.1 | -63.6 | 173 | 0 | 0 | 0 | 109.9 | G275 E276 | L273-G275 PolarHBondContact O-N 3.23Å; L273-E276 HydrophobicContact CB-CG 4.04Å; L273-E276 WeakPolarHBondContact CB-OE1 3.47Å; L273-E276 WeakPolarHBondContact CD1-OE1 3.31Å; L273-E276 WeakPolarHBondContact CG-OE1 3.46Å; L273-E276 PolarHBondContact N-OE1 3.36Å; L273-E276 PolarHBondContact N-OE2 3.03Å; L273-E276 PolarHBondContact O-N 3.37Å | ||
| 274 | P | 56.1 | Low | 67.7 | Low | 131 Ų | 131 | 88.2 Ų | 88.2 | 85% | 0.851 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 108.1 | 176.1 | -28 | 36 | 0 | 0 | 0 | 111.9 | ||
| 275 | G | 57.3 | Low | 69.3 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117.2 | -3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L273 D277 E278 | L273-G275 PolarHBondContact O-N 3.23Å; G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.49Å; G275-E278 PolarHBondContact O-N 3.07Å |
| 276 | E | 60.8 | Low | 71 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -20 | 174.5 | -75.5 | 173.7 | -180 | 0 | 0 | 113.7 | K257 M272 L273 | K257-E276 WeakPolarHBondContact CG-O 3.36Å; M272-E276 WeakPolarHBondContact CA-OE2 3.37Å; M272-E276 VanDerWaalsContact CB-OE2 3.31Å; M272-E276 WeakPolarHBondContact CB-OE2 3.15Å; M272-E276 HydrophobicContact CE-CB 3.91Å; L273-E276 HydrophobicContact CB-CG 4.04Å; L273-E276 WeakPolarHBondContact CB-OE1 3.47Å; L273-E276 WeakPolarHBondContact CD1-OE1 3.31Å; L273-E276 WeakPolarHBondContact CG-OE1 3.46Å; L273-E276 PolarHBondContact N-OE1 3.36Å; L273-E276 PolarHBondContact N-OE2 3.03Å; L273-E276 PolarHBondContact O-N 3.37Å |
| 277 | D | 63.9 | Low | 72.9 | Confident | 122 Ų | 122 | 79.1 Ų | 79.1 | 65% | 0.652 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.1 | 173.7 | -170 | -123.1 | 0 | 0 | 0 | 113.4 | K257 G275 | K257-D277 VanDerWaalsContact CE-O 3.26Å; K257-D277 WeakPolarHBondContact CE-O 3.43Å; K257-D277 WeakPolarHBondContact CE-OD2 3.32Å; K257-D277 PolarHBondContact NZ-O 3.16Å; K257-D277 IonicContact NZ-OD2 3.09Å; K257-D277 PolarHBondContact NZ-OD2 3.4Å; G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.49Å |
| 278 | E | 81.8 | Confident | 74.4 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -66.8 | 146.6 | 178.4 | -65.3 | -159.9 | 105.6 | 0 | 0 | 111.5 | K216 G256 K257 G275 H281 | K216-E278 IonicContact NZ-OE1 2.92Å; K216-E278 PolarHBondContact NZ-OE1 3.06Å; K216-E278 IonicContact NZ-OE2 2.73Å; K216-E278 PolarHBondContact NZ-OE2 2.94Å; G256-E278 CarbonylContact C-O 3.46Å; G256-E278 WeakPolarHBondContact CA-O 3.41Å; K257-E278 PolarHBondContact N-O 2.81Å; G275-E278 PolarHBondContact O-N 3.07Å; E278-H281 IonicContact OE2-CE1 3.24Å; E278-H281 PolarHBondContact OE2-CE1 2.93Å; E278-H281 IonicContact OE2-NE2 2.8Å |
| 279 | P | 87.7 | Confident | 76.1 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 159.7 | 170.1 | 27.3 | -36.5 | 0 | 0 | 0 | 111.5 | M218 H281 | M218-P279 HydrophobicContact CE-CB 4.04Å; M218-P279 HydrophobicContact CE-CG 3.47Å; M218-P279 VanDerWaalsContact CE-CG 3.47Å; P279-H281 PolarHBondContact O-N 3.39Å; P279-H281 PolarHBondContact O-ND1 3.41Å |
| 280 | L | 91.3 | Very high | 77.7 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -59.1 | 124.6 | -175.6 | -171.8 | 65.6 | 0 | 0 | 0 | 111.2 | I219 Q221 V230 I254 K257 | I219-L280 HydrophobicContact CB-CB 4.3Å; I219-L280 HydrophobicContact CB-CD2 3.99Å; I219-L280 HydrophobicContact CB-CG 3.95Å; I219-L280 HydrophobicContact CD1-CD2 4.39Å; I219-L280 HydrophobicContact CD1-CG 4.12Å; I219-L280 HydrophobicContact CG2-CD2 3.63Å; I219-L280 HydrophobicContact CG2-CG 4.17Å; I219-L280 PolarHBondContact N-O 3.29Å; Q221-L280 HydrophobicContact CB-CB 4.32Å; Q221-L280 HydrophobicContact CB-CD2 3.81Å; Q221-L280 HydrophobicContact CG-CD2 4.02Å; V230-L280 HydrophobicContact CG2-CD1 4.09Å; V230-L280 HydrophobicContact CG2-CD2 3.75Å; I254-L280 HydrophobicContact CG2-CD1 3.84Å; K257-L280 WeakPolarHBondContact O-CB 3.2Å; K257-L280 WeakPolarHBondContact O-CD1 3.32Å |
| 281 | H | 92.6 | Very high | 79.5 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 152.8 | -178.7 | 66.1 | -87.7 | 0 | 0 | 0 | 112.8 | K216 V217 M218 I254 R255 E278 P279 | K216-H281 HydrophobicContact CD-CB 4.11Å; K216-H281 WeakPolarHBondContact CE-CD2 3.27Å; K216-H281 WeakPolarHBondContact CE-NE2 3.31Å; K216-H281 HydrophobicContact CG-CB 3.85Å; K216-H281 PolarHBondContact NZ-CE1 3.37Å; K216-H281 PolarHBondContact NZ-NE2 3.04Å; K216-H281 VanDerWaalsContact NZ-NE2 3.15Å; V217-H281 CarbonylContact O-C 3.58Å; V217-H281 WeakPolarHBondContact O-CA 3.41Å; V217-H281 WeakPolarHBondContact O-CB 3.45Å; M218-H281 HydrophobicContact SD-CB 4.34Å; I254-H281 CarbonylContact C-O 3.59Å; I254-H281 WeakPolarHBondContact CA-O 3.28Å; R255-H281 WeakPolarHBondContact CB-NE2 3.46Å; R255-H281 PolarHBondContact N-O 3.09Å; R255-H281 PolarHBondContact O-N 3.3Å; E278-H281 IonicContact OE2-CE1 3.24Å; E278-H281 PolarHBondContact OE2-CE1 2.93Å; E278-H281 IonicContact OE2-NE2 2.8Å; P279-H281 PolarHBondContact O-N 3.39Å; P279-H281 PolarHBondContact O-ND1 3.41Å |
| 282 | A | 94.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V217 I219 I252 I299 | V217-A282 HydrophobicContact CB-CB 4.41Å; V217-A282 PolarHBondContact N-O 3.01Å; V217-A282 PolarHBondContact O-N 3.24Å; I219-A282 HydrophobicContact CD1-CB 4.39Å; I252-A282 HydrophobicContact CG2-CB 4.21Å; A282-I299 HydrophobicContact CB-CD1 4.31Å |
| 283 | L | 94.5 | Very high | 83.3 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.4 | 169.8 | 178.8 | 60.1 | 0 | 0 | 0 | 109.1 | M253 | M253-L283 HydrophobicContact CE-CD2 3.98Å; M253-L283 HydrophobicContact CE-CG 4.41Å; M253-L283 PolarHBondContact N-O 2.83Å; M253-L283 PolarHBondContact O-N 3.45Å |
| 284 | V | 95.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.2 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | S214 D215 V217 A250 K251 I252 V292 A295 V296 I299 | S214-V284 CarbonylContact C-O 3.58Å; S214-V284 WeakPolarHBondContact CA-O 3.31Å; S214-V284 VanDerWaalsContact CB-O 3.24Å; S214-V284 WeakPolarHBondContact CB-O 3.47Å; D215-V284 PolarHBondContact N-O 2.95Å; D215-V284 PolarHBondContact O-N 3.29Å; V217-V284 HydrophobicContact CG2-CG2 4.28Å; A250-V284 HydrophobicContact CB-CG1 4.18Å; K251-V284 CarbonylContact O-C 3.51Å; K251-V284 WeakPolarHBondContact O-CA 3.44Å; I252-V284 HydrophobicContact CG1-CG2 4.41Å; V284-V292 HydrophobicContact CB-CG1 4.36Å; V284-V292 HydrophobicContact CG1-CB 4.48Å; V284-V292 HydrophobicContact CG1-CG1 4.06Å; V284-A295 HydrophobicContact CG1-CB 3.76Å; V284-V296 HydrophobicContact CB-CG2 4.16Å; V284-V296 HydrophobicContact CG1-CG2 4.44Å; V284-V296 HydrophobicContact CG2-CG2 3.86Å; V284-I299 HydrophobicContact CG2-CD1 3.61Å |
| 285 | T | 93.3 | Very high | 87 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 124.5 | 175.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | R212 V213 K251 | R212-T285 HydrophobicContact CB-CG2 3.85Å; R212-T285 HydrophobicContact CG-CG2 4.19Å; V213-T285 CarbonylContact O-C 3.59Å; V213-T285 VanDerWaalsContact O-CA 3.31Å; V213-T285 WeakPolarHBondContact O-CA 3.42Å; K251-T285 PolarHBondContact N-O 3.08Å; K251-T285 PolarHBondContact O-N 3Å |
| 286 | A | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R212 V213 A250 N291 V292 | R212-A286 WeakPolarHBondContact CA-O 3.2Å; V213-A286 PolarHBondContact N-O 3.4Å; V213-A286 PolarHBondContact O-N 3.05Å; A250-A286 HydrophobicContact CB-CB 3.75Å; A286-N291 HydrophobicContact CB-CB 3.62Å; A286-V292 HydrophobicContact CB-CG2 3.6Å |
| 287 | N | 87.7 | Confident | 90.5 | Very high | 121 Ų | 121 | 54 Ų | 54 | 65% | 0.647 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -83.1 | -15.9 | -179.3 | -62.9 | -3.2 | 0 | 0 | 0 | 113.4 | ||
| 288 | T | 86 | Confident | 91.9 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.362 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -135.6 | 151.5 | 178.5 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | E290 N291 V292 | T288-E290 PolarHBondContact O-N 3.26Å; T288-N291 PolarHBondContact O-N 3.24Å; T288-N291 WeakPolarHBondContact OG1-CB 3.46Å; T288-N291 PolarHBondContact OG1-N 2.73Å; T288-N291 PolarHBondContact OG1-OD1 3.44Å; T288-N291 VanDerWaalsContact OG1-OD1 3.09Å; T288-V292 PolarHBondContact O-N 2.7Å |
| 289 | M | 88 | Confident | 92.6 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -32.1 | 175.9 | -174.5 | 75.3 | -114.1 | 0 | 0 | 112.1 | V213 V292 K293 | V213-M289 HydrophobicContact CG1-CE 4.13Å; V213-M289 HydrophobicContact CG1-SD 3.66Å; M289-V292 HydrophobicContact CE-CB 4.23Å; M289-V292 HydrophobicContact CE-CG1 4.17Å; M289-V292 PolarHBondContact O-N 3.49Å; M289-K293 HydrophobicContact CE-CG 3.93Å; M289-K293 HydrophobicContact CG-CD 4.39Å; M289-K293 WeakPolarHBondContact O-CG 3.13Å; M289-K293 PolarHBondContact O-N 3.18Å |
| 290 | E | 89.2 | Confident | 92.9 | Very high | 151 Ų | 151 | 51.8 Ų | 51.8 | 71% | 0.706 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.5 | -44.8 | 179.6 | -64.1 | 174.8 | 172.1 | 0 | 0 | 111.8 | T288 V292 K293 K294 | T288-E290 PolarHBondContact O-N 3.26Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.95Å; E290-K293 PolarHBondContact O-N 3.07Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 3.42Å |
| 291 | N | 92.5 | Very high | 93 | Very high | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.1 | -75.5 | 19.2 | 0 | 0 | 0 | 111.7 | C248 C249 A286 T288 A295 | C248-N291 WeakPolarHBondContact O-CB 3.41Å; C248-N291 PolarHBondContact O-ND2 3.43Å; C249-N291 WeakPolarHBondContact CB-ND2 3.36Å; C249-N291 PolarHBondContact O-ND2 2.95Å; A286-N291 HydrophobicContact CB-CB 3.62Å; T288-N291 PolarHBondContact O-N 3.24Å; T288-N291 WeakPolarHBondContact OG1-CB 3.46Å; T288-N291 PolarHBondContact OG1-N 2.73Å; T288-N291 PolarHBondContact OG1-OD1 3.44Å; T288-N291 VanDerWaalsContact OG1-OD1 3.09Å; N291-A295 WeakPolarHBondContact O-CB 3.46Å; N291-A295 PolarHBondContact O-N 2.93Å; N291-A295 VanDerWaalsContact O-N 3.09Å |
| 292 | V | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -51.6 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | V213 D215 V284 A286 T288 M289 E290 K294 A295 V296 | V213-V292 HydrophobicContact CB-CG2 4.02Å; V213-V292 HydrophobicContact CG1-CG2 4.01Å; V213-V292 WeakPolarHBondContact O-CG2 3.4Å; D215-V292 HydrophobicContact CB-CG1 3.37Å; V284-V292 HydrophobicContact CB-CG1 4.36Å; V284-V292 HydrophobicContact CG1-CB 4.48Å; V284-V292 HydrophobicContact CG1-CG1 4.06Å; A286-V292 HydrophobicContact CB-CG2 3.6Å; T288-V292 PolarHBondContact O-N 2.7Å; M289-V292 HydrophobicContact CE-CB 4.23Å; M289-V292 HydrophobicContact CE-CG1 4.17Å; M289-V292 PolarHBondContact O-N 3.49Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.95Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 2.88Å; V292-A295 PolarHBondContact O-N 2.83Å; V292-V296 HydrophobicContact CG1-CG2 4.02Å; V292-V296 WeakPolarHBondContact O-CB 3.32Å; V292-V296 WeakPolarHBondContact O-CG2 3.14Å; V292-V296 PolarHBondContact O-N 2.89Å |
| 293 | K | 93.8 | Very high | 92.8 | Very high | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -55.3 | -46.4 | 178.7 | -76.3 | 175.8 | 177.3 | -178.6 | 0 | 112.2 | M289 E290 V296 E297 | M289-K293 HydrophobicContact CE-CG 3.93Å; M289-K293 HydrophobicContact CG-CD 4.39Å; M289-K293 WeakPolarHBondContact O-CG 3.13Å; M289-K293 PolarHBondContact O-N 3.18Å; E290-K293 PolarHBondContact O-N 3.07Å; K293-V296 PolarHBondContact O-N 3.45Å; K293-E297 WeakPolarHBondContact O-CB 3.19Å; K293-E297 PolarHBondContact O-N 2.85Å |
| 294 | K | 94.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 60.8 Ų | 60.8 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 178.1 | -171.3 | -171.5 | 174.3 | -171.4 | 0 | 111.8 | E247 C248 E290 V292 E297 Q298 | E247-K294 PolarHBondContact O-NZ 3.3Å; C248-K294 HydrophobicContact CB-CD 4.44Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 3.42Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 2.88Å; K294-E297 PolarHBondContact O-N 2.97Å; K294-Q298 WeakPolarHBondContact O-CG 3.5Å; K294-Q298 PolarHBondContact O-N 3.07Å |
| 295 | A | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C248 A250 V284 N291 V292 E297 Q298 I299 | C248-A295 HydrophobicContact CB-CB 3.69Å; A250-A295 HydrophobicContact CB-CB 4.05Å; V284-A295 HydrophobicContact CG1-CB 3.76Å; N291-A295 WeakPolarHBondContact O-CB 3.46Å; N291-A295 PolarHBondContact O-N 2.93Å; N291-A295 VanDerWaalsContact O-N 3.09Å; V292-A295 PolarHBondContact O-N 2.83Å; A295-E297 VanDerWaalsContact C-N 3.35Å; A295-E297 PolarHBondContact O-N 3.15Å; A295-Q298 PolarHBondContact O-N 2.92Å; A295-I299 WeakPolarHBondContact O-CD1 3.33Å; A295-I299 VanDerWaalsContact O-CG1 3.24Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.27Å |
| 296 | V | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 177.4 | 164.5 | 0 | 0 | 0 | 0 | 111.6 | D215 V217 V284 V292 K293 I299 R300 | D215-V296 HydrophobicContact CB-CG2 4.08Å; V217-V296 HydrophobicContact CG2-CB 4.09Å; V217-V296 HydrophobicContact CG2-CG1 3.84Å; V217-V296 HydrophobicContact CG2-CG2 3.71Å; V284-V296 HydrophobicContact CB-CG2 4.16Å; V284-V296 HydrophobicContact CG1-CG2 4.44Å; V284-V296 HydrophobicContact CG2-CG2 3.86Å; V292-V296 HydrophobicContact CG1-CG2 4.02Å; V292-V296 WeakPolarHBondContact O-CB 3.32Å; V292-V296 WeakPolarHBondContact O-CG2 3.14Å; V292-V296 PolarHBondContact O-N 2.89Å; K293-V296 PolarHBondContact O-N 3.45Å; V296-I299 PolarHBondContact O-N 3.5Å; V296-R300 VanDerWaalsContact CG1-NH2 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.27Å; V296-R300 VanDerWaalsContact O-CG 3.26Å; V296-R300 WeakPolarHBondContact O-CG 3.43Å; V296-R300 PolarHBondContact O-N 3.42Å |
| 297 | E | 95.3 | Very high | 91.8 | Very high | 132 Ų | 132 | 66 Ų | 66 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.9 | -43 | 176.1 | -175.3 | 165 | -123.1 | 0 | 0 | 112.3 | K293 K294 A295 I299 R300 N301 | K293-E297 WeakPolarHBondContact O-CB 3.19Å; K293-E297 PolarHBondContact O-N 2.85Å; K294-E297 PolarHBondContact O-N 2.97Å; A295-E297 VanDerWaalsContact C-N 3.35Å; A295-E297 PolarHBondContact O-N 3.15Å; E297-I299 PolarHBondContact O-N 2.9Å; E297-R300 PolarHBondContact O-N 2.89Å; E297-N301 WeakPolarHBondContact O-CB 3.45Å; E297-N301 PolarHBondContact O-N 2.99Å |
| 298 | Q | 94.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.7 | -70.2 | -62.1 | -35.5 | 0 | 0 | 112.2 | I244 K294 A295 N301 I302 | I244-Q298 HydrophobicContact CG2-CB 4.15Å; K294-Q298 WeakPolarHBondContact O-CG 3.5Å; K294-Q298 PolarHBondContact O-N 3.07Å; A295-Q298 PolarHBondContact O-N 2.92Å; Q298-N301 PolarHBondContact O-N 2.84Å; Q298-I302 WeakPolarHBondContact O-CG1 3.36Å; Q298-I302 PolarHBondContact O-N 3.42Å |
| 299 | I | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.1 | -67.1 | 162.9 | 0 | 0 | 0 | 110.5 | V217 L233 I252 A282 V284 A295 V296 E297 N301 I302 L303 | V217-I299 HydrophobicContact CB-CG2 4.2Å; V217-I299 HydrophobicContact CG1-CG2 3.9Å; V217-I299 HydrophobicContact CG2-CD1 4.48Å; V217-I299 HydrophobicContact CG2-CG2 4.38Å; L233-I299 HydrophobicContact CD1-CG2 4.38Å; L233-I299 HydrophobicContact CD2-CB 4.47Å; L233-I299 HydrophobicContact CD2-CG1 4.46Å; L233-I299 HydrophobicContact CD2-CG2 4Å; I252-I299 HydrophobicContact CD1-CD1 4.05Å; I252-I299 HydrophobicContact CG1-CD1 4.35Å; I252-I299 HydrophobicContact CG2-CD1 4.05Å; A282-I299 HydrophobicContact CB-CD1 4.31Å; V284-I299 HydrophobicContact CG2-CD1 3.61Å; A295-I299 WeakPolarHBondContact O-CD1 3.33Å; A295-I299 VanDerWaalsContact O-CG1 3.24Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.27Å; V296-I299 PolarHBondContact O-N 3.5Å; E297-I299 PolarHBondContact O-N 2.9Å; I299-N301 VanDerWaalsContact C-N 3.31Å; I299-N301 PolarHBondContact O-N 3.42Å; I299-I302 PolarHBondContact O-N 3.36Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.14Å; I299-L303 PolarHBondContact O-N 3.21Å |
| 300 | R | 94.3 | Very high | 90.5 | Very high | 132 Ų | 132 | 66.8 Ų | 66.8 | 50% | 0.498 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.4 | -74.3 | 171.3 | -175.6 | 158.9 | 6.2 | 112.6 | V217 V296 E297 L303 K304 | V217-R300 HydrophobicContact CG1-CG 4.01Å; V296-R300 VanDerWaalsContact CG1-NH2 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.27Å; V296-R300 VanDerWaalsContact O-CG 3.26Å; V296-R300 WeakPolarHBondContact O-CG 3.43Å; V296-R300 PolarHBondContact O-N 3.42Å; E297-R300 PolarHBondContact O-N 2.89Å; R300-L303 PolarHBondContact O-N 3.43Å; R300-K304 WeakPolarHBondContact O-CG 3.33Å; R300-K304 PolarHBondContact O-N 3.44Å |
| 301 | N | 93.3 | Very high | 89.4 | Confident | 72 Ų | 72 | 65 Ų | 65 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 176.3 | -174.1 | 44.3 | 0 | 0 | 0 | 111.6 | E297 Q298 I299 L303 K304 Q305 | E297-N301 WeakPolarHBondContact O-CB 3.45Å; E297-N301 PolarHBondContact O-N 2.99Å; Q298-N301 PolarHBondContact O-N 2.84Å; I299-N301 VanDerWaalsContact C-N 3.31Å; I299-N301 PolarHBondContact O-N 3.42Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.19Å; N301-K304 PolarHBondContact O-N 2.77Å; N301-Q305 PolarHBondContact ND2-NE2 2.64Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.49Å |
| 302 | I | 92.3 | Very high | 88.2 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.1 | -65.2 | 168.2 | 0 | 0 | 0 | 111.3 | L232 L233 I244 Q298 I299 Q305 G306 L316 | L232-I302 HydrophobicContact CD2-CG2 3.88Å; L232-I302 HydrophobicContact CG-CG2 3.8Å; L233-I302 HydrophobicContact CD2-CB 4Å; L233-I302 HydrophobicContact CD2-CD1 4.26Å; L233-I302 HydrophobicContact CD2-CG2 3.75Å; L233-I302 HydrophobicContact CG-CG2 4.33Å; I244-I302 HydrophobicContact CD1-CD1 3.59Å; Q298-I302 WeakPolarHBondContact O-CG1 3.36Å; Q298-I302 PolarHBondContact O-N 3.42Å; I299-I302 PolarHBondContact O-N 3.36Å; I302-Q305 PolarHBondContact O-N 2.83Å; I302-G306 PolarHBondContact O-N 3.09Å; I302-L316 HydrophobicContact CB-CD2 4.39Å; I302-L316 HydrophobicContact CD1-CD2 4.33Å; I302-L316 HydrophobicContact CG1-CD2 3.84Å; I302-L316 HydrophobicContact CG2-CD2 3.88Å |
| 303 | L | 92.1 | Very high | 87.4 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.9 | -71.1 | 168.4 | 0 | 0 | 0 | 111.7 | V217 I219 F229 L233 I299 R300 N301 G306 I307 | V217-L303 HydrophobicContact CG1-CD1 4.04Å; I219-L303 HydrophobicContact CB-CD2 4.41Å; I219-L303 HydrophobicContact CG1-CD1 4.22Å; I219-L303 HydrophobicContact CG1-CD2 4.16Å; I219-L303 HydrophobicContact CG2-CD2 3.83Å; F229-L303 HydrophobicContact CB-CD2 4.07Å; F229-L303 HydrophobicContact CD1-CD2 3.57Å; F229-L303 HydrophobicContact CE1-CD2 4.19Å; F229-L303 HydrophobicContact CG-CD2 3.94Å; L233-L303 HydrophobicContact CD1-CD2 4.15Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.14Å; I299-L303 PolarHBondContact O-N 3.21Å; R300-L303 PolarHBondContact O-N 3.43Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.19Å; L303-G306 WeakPolarHBondContact O-CA 3.48Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.14Å; L303-I307 WeakPolarHBondContact O-CG1 3.29Å; L303-I307 PolarHBondContact O-N 2.7Å; L303-I307 VanDerWaalsContact O-N 3.17Å |
| 304 | K | 90.7 | Very high | 87 | Confident | 131 Ų | 131 | 70.3 Ų | 70.3 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.4 | -47.7 | 174.8 | -77.3 | -174.5 | 173.4 | -162.9 | 0 | 112.4 | R300 N301 G306 I307 E308 | R300-K304 WeakPolarHBondContact O-CG 3.33Å; R300-K304 PolarHBondContact O-N 3.44Å; N301-K304 PolarHBondContact O-N 2.77Å; K304-G306 PolarHBondContact O-N 3.46Å; K304-I307 PolarHBondContact O-N 3.46Å; K304-E308 WeakPolarHBondContact O-CB 3.47Å; K304-E308 PolarHBondContact O-N 3.01Å |
| 305 | Q | 88.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59 | -33 | 175.7 | -71.8 | 175.5 | -0.2 | 0 | 0 | 112 | N301 I302 T309 N314 | N301-Q305 PolarHBondContact ND2-NE2 2.64Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.49Å; I302-Q305 PolarHBondContact O-N 2.83Å; Q305-T309 VanDerWaalsContact O-CB 3.26Å; Q305-T309 WeakPolarHBondContact O-CB 3.28Å; Q305-T309 PolarHBondContact O-N 3.28Å; Q305-N314 VanDerWaalsContact C-ND2 3.35Å; Q305-N314 PolarHBondContact O-ND2 3.46Å |
| 306 | G | 87.1 | Confident | 86.3 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I227 I302 L303 K304 | I227-G306 WeakPolarHBondContact CD1-O 3.34Å; I302-G306 PolarHBondContact O-N 3.09Å; L303-G306 WeakPolarHBondContact O-CA 3.48Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.14Å; K304-G306 PolarHBondContact O-N 3.46Å |
| 307 | I | 87.4 | Confident | 86 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -83.2 | -48.2 | -174.1 | -61.8 | 165 | 0 | 0 | 0 | 112.4 | P220 Y224 I227 F229 L303 K304 | P220-I307 HydrophobicContact CG-CD1 3.8Å; Y224-I307 HydrophobicContact CD1-CG2 4.37Å; Y224-I307 HydrophobicContact CD2-CD1 4.14Å; Y224-I307 HydrophobicContact CD2-CG1 4.07Å; Y224-I307 HydrophobicContact CD2-CG2 4.43Å; Y224-I307 HydrophobicContact CE1-CG2 3.8Å; Y224-I307 HydrophobicContact CE2-CD1 4.03Å; Y224-I307 HydrophobicContact CE2-CG1 4.18Å; Y224-I307 HydrophobicContact CE2-CG2 3.88Å; Y224-I307 HydrophobicContact CG-CG1 4.43Å; I227-I307 HydrophobicContact CD1-CG1 4.43Å; F229-I307 HydrophobicContact CE1-CD1 4.36Å; F229-I307 HydrophobicContact CE1-CG1 3.81Å; F229-I307 HydrophobicContact CZ-CD1 4.2Å; F229-I307 HydrophobicContact CZ-CG1 3.71Å; L303-I307 WeakPolarHBondContact O-CG1 3.29Å; L303-I307 PolarHBondContact O-N 2.7Å; L303-I307 VanDerWaalsContact O-N 3.17Å; K304-I307 PolarHBondContact O-N 3.46Å |
| 308 | E | 83.4 | Confident | 85.7 | Confident | 157 Ų | 157 | 74.7 Ų | 74.7 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -86.1 | -22.9 | -167.8 | -170.7 | 171.5 | -167.6 | 0 | 0 | 112.5 | K304 | K304-E308 WeakPolarHBondContact O-CB 3.47Å; K304-E308 PolarHBondContact O-N 3.01Å |
| 309 | T | 78.7 | Confident | 85.6 | Confident | 43 Ų | 43 | 77 Ų | 77 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -106.1 | 115.9 | 178.2 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | Q305 Q313 N314 | Q305-T309 VanDerWaalsContact O-CB 3.26Å; Q305-T309 WeakPolarHBondContact O-CB 3.28Å; Q305-T309 PolarHBondContact O-N 3.28Å; T309-Q313 VanDerWaalsContact CG2-C 3.47Å; T309-Q313 HydrophobicContact CG2-CB 3.64Å; T309-Q313 WeakPolarHBondContact CG2-O 3.19Å; T309-N314 HydrophobicContact CG2-CB 4.27Å |
| 310 | P | 73.5 | Confident | 85.6 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | trans | -63.1 | 157.2 | -179.2 | 26.8 | -34.8 | 0 | 0 | 0 | 112 | D312 Q313 N314 | P310-D312 VanDerWaalsContact C-N 3.33Å; P310-D312 PolarHBondContact O-N 3.23Å; P310-D312 VanDerWaalsContact O-N 3.1Å; P310-Q313 HydrophobicContact CG-CB 4.38Å; P310-Q313 HydrophobicContact CG-CG 4.38Å; P310-Q313 PolarHBondContact O-N 3.13Å; P310-N314 PolarHBondContact O-N 3.24Å | ||
| 311 | E | 66.6 | Low | 85.4 | Confident | 112 Ų | 112 | 76.3 Ų | 76.3 | 52% | 0.523 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -50.4 | -43.6 | -164 | -179.7 | 152.9 | 170.1 | 0 | 0 | 115 | Q313 N314 R317 | E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.93Å; E311-N314 PolarHBondContact O-N 2.8Å; E311-R317 IonicContact OE1-CZ 3.79Å; E311-R317 IonicContact OE1-NE 3.02Å; E311-R317 IonicContact OE1-NH1 3.93Å; E311-R317 IonicContact OE1-NH2 2.82Å; E311-R317 PolarHBondContact OE1-NH2 3.15Å; E311-R317 IonicContact OE2-CZ 2.75Å; E311-R317 IonicContact OE2-NH1 2.69Å; E311-R317 PolarHBondContact OE2-NH1 3.27Å; E311-R317 IonicContact OE2-NH2 2.67Å; E311-R317 PolarHBondContact OE2-NH2 3.06Å |
| 312 | D | 67.3 | Low | 85.4 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 75% | 0.754 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -69.9 | -22.4 | -179.1 | -63.6 | -65.6 | 0 | 0 | 0 | 114.9 | P310 K318 | P310-D312 VanDerWaalsContact C-N 3.33Å; P310-D312 PolarHBondContact O-N 3.23Å; P310-D312 VanDerWaalsContact O-N 3.1Å; D312-K318 PolarHBondContact O-NZ 3.46Å |
| 313 | Q | 75.5 | Confident | 85.3 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -99 | -11.2 | -178.4 | -64.5 | -171.3 | 17 | 0 | 0 | 113.2 | T309 P310 E311 D315 | T309-Q313 VanDerWaalsContact CG2-C 3.47Å; T309-Q313 HydrophobicContact CG2-CB 3.64Å; T309-Q313 WeakPolarHBondContact CG2-O 3.19Å; P310-Q313 HydrophobicContact CG-CB 4.38Å; P310-Q313 HydrophobicContact CG-CG 4.38Å; P310-Q313 PolarHBondContact O-N 3.13Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.93Å; Q313-D315 PolarHBondContact O-N 2.99Å |
| 314 | N | 86.1 | Confident | 85.4 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | trans | -73.8 | 90.6 | -179.5 | -171.8 | -51.1 | 0 | 0 | 0 | 110.9 | Q305 T309 P310 E311 L316 R317 K318 | Q305-N314 VanDerWaalsContact C-ND2 3.35Å; Q305-N314 PolarHBondContact O-ND2 3.46Å; T309-N314 HydrophobicContact CG2-CB 4.27Å; P310-N314 PolarHBondContact O-N 3.24Å; E311-N314 PolarHBondContact O-N 2.8Å; N314-L316 PolarHBondContact O-N 3.34Å; N314-L316 PolarHBondContact OD1-N 3.02Å; N314-R317 HydrophobicContact CB-CB 3.98Å; N314-R317 PolarHBondContact O-N 2.79Å; N314-R317 VanDerWaalsContact O-N 3.12Å; N314-R317 WeakPolarHBondContact OD1-CB 3.39Å; N314-R317 PolarHBondContact OD1-N 3.37Å; N314-K318 WeakPolarHBondContact O-CB 3.44Å; N314-K318 PolarHBondContact O-N 3.04Å | ||
| 315 | D | 87.6 | Confident | 85.5 | Confident | 117 Ų | 117 | 80 Ų | 80 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.5 | -31.6 | -177.6 | -84.3 | -38 | 0 | 0 | 0 | 113.6 | Q313 M319 | Q313-D315 PolarHBondContact O-N 2.99Å; D315-M319 WeakPolarHBondContact O-CB 3.35Å; D315-M319 PolarHBondContact O-N 3.4Å |
| 316 | L | 88.4 | Confident | 85.6 | Confident | 32 Ų | 32 | 82.8 Ų | 82.8 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.8 | -47.6 | 175.7 | 179.6 | 61.7 | 0 | 0 | 0 | 111.1 | L232 I302 N314 K318 M319 Q320 | L232-L316 HydrophobicContact CD1-CD2 4.23Å; L232-L316 HydrophobicContact CD1-CG 4.15Å; I302-L316 HydrophobicContact CB-CD2 4.39Å; I302-L316 HydrophobicContact CD1-CD2 4.33Å; I302-L316 HydrophobicContact CG1-CD2 3.84Å; I302-L316 HydrophobicContact CG2-CD2 3.88Å; N314-L316 PolarHBondContact O-N 3.34Å; N314-L316 PolarHBondContact OD1-N 3.02Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; L316-M319 PolarHBondContact O-N 2.84Å; L316-Q320 HydrophobicContact CD1-CG 4.42Å; L316-Q320 WeakPolarHBondContact O-CB 3.15Å; L316-Q320 VanDerWaalsContact O-CG 3.27Å; L316-Q320 WeakPolarHBondContact O-CG 3.44Å; L316-Q320 PolarHBondContact O-N 3.37Å |
| 317 | R | 88.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 84.5 Ų | 84.5 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.3 | -171.3 | 175 | 180 | 170 | -4.6 | 110.7 | L232 E311 N314 Q320 L321 | L232-R317 HydrophobicContact CD1-CB 3.91Å; L232-R317 HydrophobicContact CD1-CG 4.47Å; E311-R317 IonicContact OE1-CZ 3.79Å; E311-R317 IonicContact OE1-NE 3.02Å; E311-R317 IonicContact OE1-NH1 3.93Å; E311-R317 IonicContact OE1-NH2 2.82Å; E311-R317 PolarHBondContact OE1-NH2 3.15Å; E311-R317 IonicContact OE2-CZ 2.75Å; E311-R317 IonicContact OE2-NH1 2.69Å; E311-R317 PolarHBondContact OE2-NH1 3.27Å; E311-R317 IonicContact OE2-NH2 2.67Å; E311-R317 PolarHBondContact OE2-NH2 3.06Å; N314-R317 HydrophobicContact CB-CB 3.98Å; N314-R317 PolarHBondContact O-N 2.79Å; N314-R317 VanDerWaalsContact O-N 3.12Å; N314-R317 WeakPolarHBondContact OD1-CB 3.39Å; N314-R317 PolarHBondContact OD1-N 3.37Å; R317-Q320 PolarHBondContact O-N 2.86Å; R317-L321 HydrophobicContact CG-CD1 4.2Å; R317-L321 WeakPolarHBondContact O-CB 3.41Å; R317-L321 VanDerWaalsContact O-CG 3.29Å; R317-L321 WeakPolarHBondContact O-CG 3.29Å; R317-L321 PolarHBondContact O-N 2.94Å |
| 318 | K | 90.1 | Very high | 86 | Confident | 108 Ų | 108 | 86 Ų | 86 | 47% | 0.47 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.7 | -164.5 | 172.5 | -166.6 | 160.7 | 0 | 112.6 | D312 N314 L316 R322 | D312-K318 PolarHBondContact O-NZ 3.46Å; N314-K318 WeakPolarHBondContact O-CB 3.44Å; N314-K318 PolarHBondContact O-N 3.04Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; K318-R322 WeakPolarHBondContact O-CB 3.49Å; K318-R322 PolarHBondContact O-N 3.15Å |
| 319 | M | 91.3 | Very high | 86.3 | Confident | 121 Ų | 121 | 81.6 Ų | 81.6 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 173.2 | -175.3 | -159.4 | -55.5 | 0 | 0 | 111.2 | D315 L316 R322 E323 | D315-M319 WeakPolarHBondContact O-CB 3.35Å; D315-M319 PolarHBondContact O-N 3.4Å; L316-M319 PolarHBondContact O-N 2.84Å; M319-R322 PolarHBondContact O-N 2.89Å; M319-E323 WeakPolarHBondContact O-CB 3.49Å; M319-E323 PolarHBondContact O-N 3.22Å |
| 320 | Q | 94.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.1 | -75.2 | -177.7 | 12.2 | 0 | 0 | 112.6 | L232 T240 L316 R317 L324 | L232-Q320 PolarHBondContact O-NE2 3.11Å; L232-Q320 PolarHBondContact O-OE1 3.44Å; T240-Q320 PolarHBondContact OG1-NE2 3.31Å; L316-Q320 HydrophobicContact CD1-CG 4.42Å; L316-Q320 WeakPolarHBondContact O-CB 3.15Å; L316-Q320 VanDerWaalsContact O-CG 3.27Å; L316-Q320 WeakPolarHBondContact O-CG 3.44Å; L316-Q320 PolarHBondContact O-N 3.37Å; R317-Q320 PolarHBondContact O-N 2.86Å; Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.3Å; Q320-L324 PolarHBondContact O-N 2.91Å |
| 321 | L | 91.3 | Very high | 86.9 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 175.4 | -73.6 | 169.2 | 0 | 0 | 0 | 111.8 | R317 L324 A325 | R317-L321 HydrophobicContact CG-CD1 4.2Å; R317-L321 WeakPolarHBondContact O-CB 3.41Å; R317-L321 VanDerWaalsContact O-CG 3.29Å; R317-L321 WeakPolarHBondContact O-CG 3.29Å; R317-L321 PolarHBondContact O-N 2.94Å; L321-L324 PolarHBondContact O-N 3.24Å; L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 2.86Å |
| 322 | R | 92 | Very high | 87.4 | Confident | 166 Ų | 166 | 87.1 Ų | 87.1 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 173 | -179.7 | -175.3 | -73.5 | 169.8 | -4.6 | 111.3 | K318 M319 A325 R326 L331 | K318-R322 WeakPolarHBondContact O-CB 3.49Å; K318-R322 PolarHBondContact O-N 3.15Å; M319-R322 PolarHBondContact O-N 2.89Å; R322-A325 PolarHBondContact O-N 2.86Å; R322-R326 WeakPolarHBondContact O-CB 3.18Å; R322-R326 PolarHBondContact O-N 2.91Å; R322-L331 HydrophobicContact CG-CD2 3.75Å |
| 323 | E | 92.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 179 | 176.8 | 60.7 | -174.5 | 0 | 0 | 111.9 | P236 M319 R326 L327 | P236-E323 HydrophobicContact CB-CG 4.31Å; P236-E323 HydrophobicContact CG-CB 4.09Å; P236-E323 HydrophobicContact CG-CG 3.72Å; M319-E323 WeakPolarHBondContact O-CB 3.49Å; M319-E323 PolarHBondContact O-N 3.22Å; E323-R326 VanDerWaalsContact CD-NH2 3.26Å; E323-R326 PolarHBondContact O-N 3Å; E323-R326 IonicContact OE1-CZ 2.63Å; E323-R326 IonicContact OE1-NE 2.65Å; E323-R326 IonicContact OE1-NH2 3.13Å; E323-R326 PolarHBondContact OE1-NH2 3.04Å; E323-R326 IonicContact OE2-CZ 2.64Å; E323-R326 VanDerWaalsContact OE2-CZ 3.24Å; E323-R326 IonicContact OE2-NE 2.7Å; E323-R326 PolarHBondContact OE2-NE 3.39Å; E323-R326 IonicContact OE2-NH2 2.76Å; E323-R326 PolarHBondContact OE2-NH2 2.77Å; E323-L327 HydrophobicContact CG-CD1 3.89Å; E323-L327 HydrophobicContact CG-CG 4.39Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 3.38Å; E323-L327 WeakPolarHBondContact OE1-CD1 3.49Å |
| 324 | L | 93.4 | Very high | 86 | Confident | 65 Ų | 65 | 84.6 Ų | 84.6 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173 | -175.9 | 61.3 | 0 | 0 | 0 | 111.5 | P236 Q320 L321 L327 N328 | P236-L324 HydrophobicContact CB-CB 4.11Å; P236-L324 HydrophobicContact CB-CD1 4.22Å; Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.3Å; Q320-L324 PolarHBondContact O-N 2.91Å; L321-L324 PolarHBondContact O-N 3.24Å; L324-L327 PolarHBondContact O-N 2.88Å; L324-N328 VanDerWaalsContact O-CB 3.31Å; L324-N328 WeakPolarHBondContact O-CB 3.4Å; L324-N328 PolarHBondContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 2.95Å |
| 325 | A | 92.1 | Very high | 84.5 | Confident | 23 Ų | 23 | 89.4 Ų | 89.4 | 19% | 0.19 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L321 R322 N328 G329 T330 L331 | L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 2.86Å; R322-A325 PolarHBondContact O-N 2.86Å; A325-N328 PolarHBondContact O-N 3.35Å; A325-G329 PolarHBondContact O-N 3.24Å; A325-G329 VanDerWaalsContact O-N 3.12Å; A325-T330 WeakPolarHBondContact CA-OG1 3.24Å; A325-T330 PolarHBondContact O-N 3.44Å; A325-T330 PolarHBondContact O-OG1 3.44Å; A325-L331 HydrophobicContact CB-CB 3.79Å; A325-L331 PolarHBondContact O-N 2.94Å |
| 326 | R | 91.6 | Very high | 82.8 | Confident | 125 Ų | 125 | 91.5 Ų | 91.5 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.1 | -166.1 | -175.9 | 70.3 | 90.6 | 3.1 | 111.7 | R322 E323 N328 G329 L331 | R322-R326 WeakPolarHBondContact O-CB 3.18Å; R322-R326 PolarHBondContact O-N 2.91Å; E323-R326 VanDerWaalsContact CD-NH2 3.26Å; E323-R326 PolarHBondContact O-N 3Å; E323-R326 IonicContact OE1-CZ 2.63Å; E323-R326 IonicContact OE1-NE 2.65Å; E323-R326 IonicContact OE1-NH2 3.13Å; E323-R326 PolarHBondContact OE1-NH2 3.04Å; E323-R326 IonicContact OE2-CZ 2.64Å; E323-R326 VanDerWaalsContact OE2-CZ 3.24Å; E323-R326 IonicContact OE2-NE 2.7Å; E323-R326 PolarHBondContact OE2-NE 3.39Å; E323-R326 IonicContact OE2-NH2 2.76Å; E323-R326 PolarHBondContact OE2-NH2 2.77Å; R326-N328 PolarHBondContact O-N 3.45Å; R326-G329 PolarHBondContact O-N 3.28Å; R326-L331 HydrophobicContact CB-CB 4.43Å; R326-L331 HydrophobicContact CB-CD2 4.02Å |
| 327 | L | 91.1 | Very high | 81.1 | Confident | 45 Ų | 45 | 99 Ų | 99 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.8 | -24.3 | 178.2 | -73 | 170.4 | 0 | 0 | 0 | 113.4 | P236 R237 E323 L324 | P236-L327 HydrophobicContact CB-CD1 4.03Å; R237-L327 PolarHBondContact NH2-O 3.19Å; E323-L327 HydrophobicContact CG-CD1 3.89Å; E323-L327 HydrophobicContact CG-CG 4.39Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 3.38Å; E323-L327 WeakPolarHBondContact OE1-CD1 3.49Å; L324-L327 PolarHBondContact O-N 2.88Å |
| 328 | N | 91.6 | Very high | 79.4 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4.4 | 174.3 | -67.4 | -12.8 | 0 | 0 | 0 | 113.4 | L324 A325 R326 T330 | L324-N328 VanDerWaalsContact O-CB 3.31Å; L324-N328 WeakPolarHBondContact O-CB 3.4Å; L324-N328 PolarHBondContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 2.95Å; A325-N328 PolarHBondContact O-N 3.35Å; R326-N328 PolarHBondContact O-N 3.45Å; N328-T330 HydrophobicContact CB-CG2 4.34Å; N328-T330 PolarHBondContact O-N 3.27Å |
| 329 | G | 88.9 | Confident | 77.6 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | A325 R326 | A325-G329 PolarHBondContact O-N 3.24Å; A325-G329 VanDerWaalsContact O-N 3.12Å; R326-G329 PolarHBondContact O-N 3.28Å |
| 330 | T | 87.4 | Confident | 75.8 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | trans | -87.7 | -25.3 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | A325 N328 R332 | A325-T330 WeakPolarHBondContact CA-OG1 3.24Å; A325-T330 PolarHBondContact O-N 3.44Å; A325-T330 PolarHBondContact O-OG1 3.44Å; N328-T330 HydrophobicContact CB-CG2 4.34Å; N328-T330 PolarHBondContact O-N 3.27Å; T330-R332 PolarHBondContact O-N 3.5Å | ||
| 331 | L | 78.7 | Confident | 73.7 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 33% | 0.33 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -74.9 | 114 | 168.5 | -171 | 72.7 | 0 | 0 | 0 | 109.3 | R322 A325 R326 | R322-L331 HydrophobicContact CG-CD2 3.75Å; A325-L331 HydrophobicContact CB-CB 3.79Å; A325-L331 PolarHBondContact O-N 2.94Å; R326-L331 HydrophobicContact CB-CB 4.43Å; R326-L331 HydrophobicContact CB-CD2 4.02Å |
| 332 | R | 75.4 | Confident | 71.5 | Confident | 187 Ų | 187 | 115.3 Ų | 115.3 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | trans | -85.4 | 137.5 | 166 | -51.7 | -174.9 | 79 | 99.9 | 0.1 | 108.3 | T330 D334 | T330-R332 PolarHBondContact O-N 3.5Å; R332-D334 PolarHBondContact O-N 2.94Å | ||
| 333 | E | 61.3 | Low | 69.4 | Low | 167 Ų | 167 | 114 Ų | 114 | 78% | 0.78 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5.3 | -177.3 | -61.6 | 174.3 | 149.9 | 0 | 0 | 112.4 | D335 | E333-D335 PolarHBondContact O-N 2.96Š|
| 334 | D | 53.6 | Low | 67.1 | Low | 58 Ų | 58 | 116.9 Ų | 116.9 | 31% | 0.31 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | 10.6 | -177.6 | -67.5 | -78.6 | 0 | 0 | 0 | 116.1 | R332 N336 R337 I338 | R332-D334 PolarHBondContact O-N 2.94Å; D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.16Å; D334-R337 HydrophobicContact CB-CB 4.37Å; D334-R337 WeakPolarHBondContact O-CA 3.36Å; D334-R337 WeakPolarHBondContact O-CB 3.26Å; D334-R337 PolarHBondContact O-N 2.99Å; D334-R337 WeakPolarHBondContact OD1-CD 3.19Å; D334-R337 IonicContact OD1-CZ 3.8Å; D334-R337 IonicContact OD1-NH1 3.99Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D334-I338 HydrophobicContact CB-CD1 4.13Å; D334-I338 HydrophobicContact CB-CG1 4.37Å; D334-I338 WeakPolarHBondContact O-CG1 3.08Å; D334-I338 PolarHBondContact O-N 3.33Å |
| 335 | D | 54.7 | Low | 65.2 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 57% | 0.567 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -55.4 | -37.9 | 179.1 | -152.8 | -29 | 0 | 0 | 0 | 111.4 | E333 R337 I338 | E333-D335 PolarHBondContact O-N 2.96Å; D335-R337 PolarHBondContact O-N 3.35Å; D335-I338 PolarHBondContact O-N 2.92Å; D335-I338 VanDerWaalsContact O-N 3.17Å |
| 336 | N | 50.2 | Low | 63.1 | Low | 161 Ų | 161 | 124 Ų | 124 | 86% | 0.861 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.4 | 0.4 | 174.7 | -136.6 | 113.1 | 0 | 0 | 0 | 115.1 | D334 | D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.16Å |
| 337 | R | 53.9 | Low | 61.2 | Low | 189 Ų | 189 | 123.9 Ų | 123.9 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -112 | -32.4 | 168.8 | -85.1 | 170.1 | 158.8 | 175.8 | -4 | 112.7 | D334 D335 L339 R340 | D334-R337 HydrophobicContact CB-CB 4.37Å; D334-R337 WeakPolarHBondContact O-CA 3.36Å; D334-R337 WeakPolarHBondContact O-CB 3.26Å; D334-R337 PolarHBondContact O-N 2.99Å; D334-R337 WeakPolarHBondContact OD1-CD 3.19Å; D334-R337 IonicContact OD1-CZ 3.8Å; D334-R337 IonicContact OD1-NH1 3.99Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D335-R337 PolarHBondContact O-N 3.35Å; R337-L339 PolarHBondContact O-N 3.47Å; R337-R340 PolarHBondContact O-N 2.98Å |
| 338 | I | 52.7 | Low | 59.5 | Low | 99 Ų | 99 | 132.1 Ų | 132.1 | 51% | 0.508 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.7 | -19.4 | -171.2 | -72.8 | 164.2 | 0 | 0 | 0 | 112.7 | D334 D335 R340 P341 | D334-I338 HydrophobicContact CB-CD1 4.13Å; D334-I338 HydrophobicContact CB-CG1 4.37Å; D334-I338 WeakPolarHBondContact O-CG1 3.08Å; D334-I338 PolarHBondContact O-N 3.33Å; D335-I338 PolarHBondContact O-N 2.92Å; D335-I338 VanDerWaalsContact O-N 3.17Å; I338-R340 PolarHBondContact O-N 3.12Å; I338-P341 VanDerWaalsContact O-CD 3.25Å; I338-P341 WeakPolarHBondContact O-CD 3.26Å; I338-P341 WeakPolarHBondContact O-CG 3.44Å |
| 339 | L | 51.3 | Low | 57.8 | Low | 148 Ų | 148 | 130.7 Ų | 130.7 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -7.2 | 173.9 | -66.4 | 179.1 | 0 | 0 | 0 | 115.3 | R337 | R337-L339 PolarHBondContact O-N 3.47Š|
| 340 | R | 54.6 | Low | 56.5 | Low | 166 Ų | 166 | 134.3 Ų | 134.3 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | -139.1 | 60.1 | 176 | -53 | -167.2 | -161.1 | -149.1 | 0.4 | 115.6 | R337 I338 W342 Q343 | R337-R340 PolarHBondContact O-N 2.98Å; I338-R340 PolarHBondContact O-N 3.12Å; R340-W342 PolarHBondContact O-N 2.83Å; R340-Q343 HydrophobicContact CB-CB 4.05Å; R340-Q343 PolarHBondContact O-N 3.49Å | ||
| 341 | P | 48.8 | Very low | 55.2 | Low | 94 Ų | 94 | 132.4 Ų | 132.4 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -61.9 | -30 | 176.7 | -17.8 | 33.7 | 0 | 0 | 0 | 112.1 | I338 | I338-P341 VanDerWaalsContact O-CD 3.25Å; I338-P341 WeakPolarHBondContact O-CD 3.26Å; I338-P341 WeakPolarHBondContact O-CG 3.44Å |
| 342 | W | 46.6 | Very low | 54.3 | Low | 250 Ų | 250 | 135.4 Ų | 135.4 | 95% | 0.947 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -87.2 | -5.6 | -177.9 | -66.8 | 96.4 | 0 | 0 | 0 | 115.3 | R340 | R340-W342 PolarHBondContact O-N 2.83Š|
| 343 | Q | 48.3 | Very low | 54 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -103 | 7.1 | 177.7 | -152.3 | 176.3 | 7.4 | 0 | 0 | 113.6 | R340 | R340-Q343 HydrophobicContact CB-CB 4.05Å; R340-Q343 PolarHBondContact O-N 3.49Å |
| 344 | N | 44 | Very low | 54.9 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | trans | -126.2 | 83.2 | 170.8 | -171 | 25.7 | 0 | 0 | 0 | 110.2 | E346 | N344-E346 PolarHBondContact O-N 3.09Å; N344-E346 PolarHBondContact OD1-O 3.35Å | ||
| 345 | S | 52 | Low | 56.2 | Low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | trans | -72.5 | 11.3 | -175.9 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | E | 47.7 | Very low | 57.5 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -143.7 | 113.8 | -178.1 | -151.7 | 92.2 | -132.8 | 0 | 0 | 110.7 | N344 R348 | N344-E346 PolarHBondContact O-N 3.09Å; N344-E346 PolarHBondContact OD1-O 3.35Å; E346-R348 HydrophobicContact CB-CG 4.45Å; E346-R348 HydrophobicContact CG-CG 4.48Å; E346-R348 PolarHBondContact O-N 3.12Å | ||
| 347 | P | 52.2 | Low | 59 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -70.5 | 82.9 | 160.1 | 31 | -31.7 | 0 | 0 | 0 | 107.6 | S349 | P347-S349 PolarHBondContact O-N 3.48Š| ||
| 348 | R | 56.3 | Low | 60.4 | Low | 218 Ų | 218 | 119.1 Ų | 119.1 | 82% | 0.823 | 61% | 0.611 | S | S | * | * | trans | -50.3 | 103.8 | -179.2 | -74.1 | -172.7 | 176.7 | -122.8 | -3.2 | 109.8 | E346 I350 | E346-R348 HydrophobicContact CB-CG 4.45Å; E346-R348 HydrophobicContact CG-CG 4.48Å; E346-R348 PolarHBondContact O-N 3.12Å; R348-I350 PolarHBondContact O-N 3.49Å; R348-I350 VanDerWaalsContact O-N 3.1Å | ||
| 349 | S | 55.8 | Low | 61.7 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 44% | 0.441 | 60% | 0.604 | S | S | . | * | trans | -59.1 | 118.4 | -172.3 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | P347 T351 N352 | P347-S349 PolarHBondContact O-N 3.48Å; S349-T351 PolarHBondContact O-N 2.65Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; S349-N352 WeakPolarHBondContact O-CB 3.17Å; S349-N352 PolarHBondContact O-N 3.11Å | ||
| 350 | I | 60.1 | Low | 63 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -63.7 | -16.1 | -173.6 | -159.6 | 162.2 | 0 | 0 | 0 | 112.7 | R348 N352 T353 T354 | R348-I350 PolarHBondContact O-N 3.49Å; R348-I350 VanDerWaalsContact O-N 3.1Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.12Å; I350-T353 PolarHBondContact O-N 2.78Å; I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.63Å |
| 351 | T | 60.8 | Low | 64.1 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 37% | 0.374 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -59.4 | -38.4 | 168.2 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | S349 T353 T354 G363 | S349-T351 PolarHBondContact O-N 2.65Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; T351-T353 PolarHBondContact O-N 2.93Å; T351-T354 PolarHBondContact O-N 2.94Å; T351-T354 VanDerWaalsContact O-N 3.1Å; T351-G363 WeakPolarHBondContact O-CA 3.39Å; T351-G363 PolarHBondContact O-N 3.38Å |
| 352 | N | 60.4 | Low | 65.6 | Low | 126 Ų | 126 | 103.9 Ų | 103.9 | 67% | 0.674 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -71 | -11.8 | -177.5 | -99.1 | -8.1 | 0 | 0 | 0 | 114.6 | S349 I350 | S349-N352 WeakPolarHBondContact O-CB 3.17Å; S349-N352 PolarHBondContact O-N 3.11Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.12Å |
| 353 | T | 69.5 | Low | 67.3 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -108.1 | -6.6 | 172.5 | -40.9 | 0 | 0 | 0 | 0 | 112 | I350 T351 L355 | I350-T353 PolarHBondContact O-N 2.78Å; T351-T353 PolarHBondContact O-N 2.93Å; T353-L355 PolarHBondContact O-N 2.74Å |
| 354 | T | 79.9 | Confident | 68.8 | Low | 45 Ų | 45 | 89 Ų | 89 | 28% | 0.276 | 52% | 0.52 | S | S | . | . | trans | -85.1 | 95.9 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | I350 T351 A362 G363 I365 | I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.63Å; T351-T354 PolarHBondContact O-N 2.94Å; T351-T354 VanDerWaalsContact O-N 3.1Å; T354-A362 CarbonylContact O-C 3.24Å; T354-A362 WeakPolarHBondContact O-CA 3.45Å; T354-G363 PolarHBondContact O-N 3.47Å; T354-I365 HydrophobicContact CG2-CG2 3.7Å | ||
| 355 | L | 81.3 | Confident | 70.7 | Confident | 116 Ų | 116 | 87.8 Ų | 87.8 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | B | Isolated β-bridge | trans | -84.8 | 128.5 | 176.4 | -60 | 179.7 | 0 | 0 | 0 | 111.1 | T353 T357 A362 | T353-L355 PolarHBondContact O-N 2.74Å; L355-T357 PolarHBondContact O-N 3.28Å; L355-A362 HydrophobicContact CD2-CB 3.93Å |
| 356 | C | 81.6 | Confident | 72.2 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.007 | 48% | 0.484 | C | S | . | . | trans | -78.5 | 115.1 | 176.8 | 176 | 0 | 0 | 0 | 0 | 111.3 | K358 C359 G360 G361 H364 C369 | C356-K358 PolarHBondContact O-N 2.95Å; C356-C359 PolarHBondContact O-N 3.01Å; C356-C359 VanDerWaalsContact SG-SG 3.63Å; C356-G360 WeakPolarHBondContact O-CA 3.24Å; C356-G360 PolarHBondContact O-N 2.88Å; C356-G361 WeakPolarHBondContact CB-O 3.31Å; C356-G361 PolarHBondContact N-O 2.87Å; C356-H364 VanDerWaalsContact CB-CE1 3.41Å; C356-H364 WeakPolarHBondContact CB-CE1 3.24Å; C356-H364 WeakPolarHBondContact CB-NE2 3.39Å; C356-H364 PolarHBondContact SG-NE2 3.27Å; C356-C369 VanDerWaalsContact SG-CB 3.54Å | ||
| 357 | T | 81.2 | Confident | 73.6 | Confident | 131 Ų | 131 | 82.4 Ų | 82.4 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8.9 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | L355 S366 | L355-T357 PolarHBondContact O-N 3.28Å; T357-S366 PolarHBondContact N-OG 3.15Å; T357-S366 PolarHBondContact OG1-OG 3.32Å |
| 358 | K | 82.7 | Confident | 74.7 | Confident | 111 Ų | 111 | 82.2 Ų | 82.2 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -22.3 | 174.2 | -72 | -177.8 | -178.9 | 173.7 | 0 | 114.6 | C356 S366 C369 T372 | C356-K358 PolarHBondContact O-N 2.95Å; K358-S366 WeakPolarHBondContact CD-O 3.19Å; K358-S366 WeakPolarHBondContact CE-O 3.5Å; K358-S366 PolarHBondContact NZ-O 2.81Å; K358-S366 VanDerWaalsContact NZ-O 3.07Å; K358-C369 HydrophobicContact CB-CB 4.33Å; K358-C369 HydrophobicContact CD-CB 4.07Å; K358-T372 PolarHBondContact NZ-OG1 3.17Å |
| 359 | C | 81.1 | Confident | 75.9 | Confident | 53 Ų | 53 | 72 Ų | 72 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 5.8 | -173.6 | 71.9 | 0 | 0 | 0 | 0 | 115 | C356 G361 C369 Y371 | C356-C359 PolarHBondContact O-N 3.01Å; C356-C359 VanDerWaalsContact SG-SG 3.63Å; C359-G361 PolarHBondContact O-N 3.41Å; C359-C369 VanDerWaalsContact SG-SG 3.69Å; C359-Y371 HydrophobicContact CB-CD2 4.36Å |
| 360 | G | 77.8 | Confident | 76.7 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | trans | 71.2 | -23.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C356 | C356-G360 WeakPolarHBondContact O-CA 3.24Å; C356-G360 PolarHBondContact O-N 2.88Å | ||
| 361 | G | 77.9 | Confident | 76.9 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | trans | -63.3 | 137.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C356 C359 | C356-G361 WeakPolarHBondContact CB-O 3.31Å; C356-G361 PolarHBondContact N-O 2.87Å; C359-G361 PolarHBondContact O-N 3.41Å | ||
| 362 | A | 79.6 | Confident | 76.8 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 167.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T354 L355 | T354-A362 CarbonylContact O-C 3.24Å; T354-A362 WeakPolarHBondContact O-CA 3.45Å; L355-A362 HydrophobicContact CD2-CB 3.93Å |
| 363 | G | 82.6 | Confident | 76.6 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 105.1 | -14.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T351 T354 | T351-G363 WeakPolarHBondContact O-CA 3.39Å; T351-G363 PolarHBondContact O-N 3.38Å; T354-G363 PolarHBondContact O-N 3.47Å |
| 364 | H | 80.3 | Confident | 75.8 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 20% | 0.199 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -157.1 | 157.4 | -172.7 | 67.5 | -64.9 | 0 | 0 | 0 | 112.5 | C356 | C356-H364 VanDerWaalsContact CB-CE1 3.41Å; C356-H364 WeakPolarHBondContact CB-CE1 3.24Å; C356-H364 WeakPolarHBondContact CB-NE2 3.39Å; C356-H364 PolarHBondContact SG-NE2 3.27Å |
| 365 | I | 84.8 | Confident | 74.2 | Confident | 87 Ų | 87 | 81.5 Ų | 81.5 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | trans | -84.5 | 159.2 | 173.7 | 59.4 | 170.1 | 0 | 0 | 0 | 111.8 | T354 S367 D368 | T354-I365 HydrophobicContact CG2-CG2 3.7Å; I365-S367 PolarHBondContact O-N 3.48Å; I365-D368 WeakPolarHBondContact CD1-OD2 3.39Å; I365-D368 WeakPolarHBondContact CG1-OD2 3.38Å; I365-D368 PolarHBondContact O-N 2.99Å; I365-D368 VanDerWaalsContact O-N 3.07Å | ||
| 366 | S | 81.5 | Confident | 72.5 | Confident | 29 Ų | 29 | 80.9 Ų | 80.9 | 20% | 0.203 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.1 | -176.9 | -52.6 | 0 | 0 | 0 | 0 | 115.4 | T357 K358 | T357-S366 PolarHBondContact N-OG 3.15Å; T357-S366 PolarHBondContact OG1-OG 3.32Å; K358-S366 WeakPolarHBondContact CD-O 3.19Å; K358-S366 WeakPolarHBondContact CE-O 3.5Å; K358-S366 PolarHBondContact NZ-O 2.81Å; K358-S366 VanDerWaalsContact NZ-O 3.07Å |
| 367 | S | 77.9 | Confident | 70.8 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 67% | 0.671 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -47.7 | 171.3 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | I365 C369 | I365-S367 PolarHBondContact O-N 3.48Å; S367-C369 VanDerWaalsContact C-N 3.25Å; S367-C369 PolarHBondContact O-N 2.99Å |
| 368 | D | 75.7 | Confident | 69 | Low | 117 Ų | 117 | 85.8 Ų | 85.8 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -90.4 | 16.8 | -173.5 | -49.7 | -56.7 | 0 | 0 | 0 | 112.7 | I365 K370 | I365-D368 WeakPolarHBondContact CD1-OD2 3.39Å; I365-D368 WeakPolarHBondContact CG1-OD2 3.38Å; I365-D368 PolarHBondContact O-N 2.99Å; I365-D368 VanDerWaalsContact O-N 3.07Å; D368-K370 PolarHBondContact O-N 3.25Å |
| 369 | C | 80.4 | Confident | 66.7 | Low | 2 Ų | 2 | 91 Ų | 91 | 1% | 0.014 | 53% | 0.53 | C | S | . | . | trans | -75.3 | 96.6 | -175.2 | -178.6 | 0 | 0 | 0 | 0 | 112 | C356 K358 C359 S367 Y371 T372 | C356-C369 VanDerWaalsContact SG-CB 3.54Å; K358-C369 HydrophobicContact CB-CB 4.33Å; K358-C369 HydrophobicContact CD-CB 4.07Å; C359-C369 VanDerWaalsContact SG-SG 3.69Å; S367-C369 VanDerWaalsContact C-N 3.25Å; S367-C369 PolarHBondContact O-N 2.99Å; C369-Y371 PolarHBondContact O-N 3.19Å; C369-T372 VanDerWaalsContact O-CB 3.28Å; C369-T372 WeakPolarHBondContact O-CB 3.25Å; C369-T372 VanDerWaalsContact O-CG2 3.23Å; C369-T372 WeakPolarHBondContact O-CG2 3.37Å; C369-T372 PolarHBondContact O-N 2.7Å | ||
| 370 | K | 73.3 | Confident | 64.8 | Low | 156 Ų | 156 | 93 Ų | 93 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -13.6 | 175.8 | 64 | 170.3 | 179.8 | -75.9 | 0 | 116.2 | D368 S373 | D368-K370 PolarHBondContact O-N 3.25Å; K370-S373 PolarHBondContact O-OG 2.88Å |
| 371 | Y | 64.1 | Low | 62.7 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -15 | 173.5 | -74.9 | -83.1 | 0 | 0 | 0 | 113.5 | C359 C369 S373 T374 | C359-Y371 HydrophobicContact CB-CD2 4.36Å; C369-Y371 PolarHBondContact O-N 3.19Å; Y371-S373 PolarHBondContact O-N 3.42Å; Y371-S373 VanDerWaalsContact O-N 3.08Å; Y371-T374 PolarHBondContact O-N 2.9Å; Y371-T374 VanDerWaalsContact O-N 3.16Å |
| 372 | T | 60.2 | Low | 60.6 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -16.4 | -177.2 | -155.9 | 0 | 0 | 0 | 0 | 113.9 | K358 C369 | K358-T372 PolarHBondContact NZ-OG1 3.17Å; C369-T372 VanDerWaalsContact O-CB 3.28Å; C369-T372 WeakPolarHBondContact O-CB 3.25Å; C369-T372 VanDerWaalsContact O-CG2 3.23Å; C369-T372 WeakPolarHBondContact O-CG2 3.37Å; C369-T372 PolarHBondContact O-N 2.7Å |
| 373 | S | 55.5 | Low | 58.5 | Low | 96 Ų | 96 | 100.6 Ų | 100.6 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -14.6 | 179.7 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | K370 Y371 | K370-S373 PolarHBondContact O-OG 2.88Å; Y371-S373 PolarHBondContact O-N 3.42Å; Y371-S373 VanDerWaalsContact O-N 3.08Å |
| 374 | T | 52.8 | Low | 56 | Low | 107 Ų | 107 | 108 Ų | 108 | 66% | 0.656 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -23.8 | -170 | -45.9 | 0 | 0 | 0 | 0 | 113 | Y371 | Y371-T374 PolarHBondContact O-N 2.9Å; Y371-T374 VanDerWaalsContact O-N 3.16Å |
| 375 | F | 46 | Very low | 54.5 | Low | 173 Ų | 173 | 110.7 Ų | 110.7 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -101.3 | 16 | -171.9 | -139.4 | -93.3 | 0 | 0 | 0 | 115.2 | G377 | F375-G377 PolarHBondContact O-N 2.98Å; F375-G377 VanDerWaalsContact O-N 3.15Å |
| 376 | A | 45.1 | Very low | 52.8 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 85% | 0.851 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 19.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 377 | G | 45.9 | Very low | 51.6 | Low | 63 Ų | 63 | 116.4 Ų | 116.4 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.4 | 15.3 | -156.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | F375 | F375-G377 PolarHBondContact O-N 2.98Å; F375-G377 VanDerWaalsContact O-N 3.15Å |
| 378 | Q | 42.8 | Very low | 50.8 | Low | 171 Ų | 171 | 116 Ų | 116 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -148.3 | 155.6 | 170.7 | -110.9 | 158.2 | 28.2 | 0 | 0 | 113.5 | ||
| 379 | R | 35.8 | Very low | 49.9 | Very low | 221 Ų | 221 | 114 Ų | 114 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | trans | -59.3 | 152.8 | -167.6 | -68.8 | 179.6 | 177.2 | -179.3 | -1.8 | 113.5 | ||||
| 380 | A | 40.7 | Very low | 49.1 | Very low | 95 Ų | 95 | 119.6 Ų | 119.6 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | cis | 73 | 50.9 | 26.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 381 | T | 33.6 | Very low | 48.6 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | -155 | 144.4 | 154.1 | 23.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 382 | G | 33.4 | Very low | 49 | Very low | 85 Ų | 85 | 115.4 Ų | 115.4 | 88% | 0.876 | 70% | 0.696 | S | S | * | * | trans | -109.6 | 166 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 383 | G | 35.3 | Very low | 49.4 | Very low | 75 Ų | 75 | 114.3 Ų | 114.3 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | 151.3 | 125.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 384 | E | 32.1 | Very low | 50.2 | Low | 191 Ų | 191 | 117.6 Ų | 117.6 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | trans | 60.5 | 159 | 168.4 | -81.3 | -91.2 | 85.9 | 0 | 0 | 119.3 | ||||
| 385 | P | 47.8 | Very low | 51 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -107.4 | -167.1 | 179.3 | 45.9 | -36.2 | 0 | 0 | 0 | 111.9 | ||||
| 386 | P | 49.9 | Very low | 52.4 | Low | 109 Ų | 109 | 113.5 Ų | 113.5 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | -82.1 | 125.1 | -119.7 | 35.4 | -19.9 | 0 | 0 | 0 | 114.9 | S388 | P386-S388 PolarHBondContact O-N 3.08Š| |||
| 387 | Q | 54.9 | Low | 54.2 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 59% | 0.593 | 66% | 0.664 | S | S | * | * | trans | -79.4 | 32.1 | 178.7 | -148.1 | 167.3 | 7 | 0 | 0 | 114.1 | A389 Q390 | Q387-A389 PolarHBondContact O-N 2.7Å; Q387-Q390 HydrophobicContact CG-CB 4.28Å; Q387-Q390 HydrophobicContact CG-CG 4.45Å; Q387-Q390 PolarHBondContact O-N 2.91Å | ||
| 388 | S | 60.6 | Low | 55.7 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -61 | -21.8 | -165 | 59.2 | 0 | 0 | 0 | 0 | 115.7 | P386 K392 | P386-S388 PolarHBondContact O-N 3.08Å; S388-K392 WeakPolarHBondContact O-CB 3.47Å; S388-K392 PolarHBondContact O-N 3.2Å |
| 389 | A | 58 | Low | 57.3 | Low | 75 Ų | 75 | 117.8 Ų | 117.8 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.5 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q387 A393 | Q387-A389 PolarHBondContact O-N 2.7Å; A389-A393 WeakPolarHBondContact O-CB 3.26Å; A389-A393 PolarHBondContact O-N 3.05Å |
| 390 | Q | 64.3 | Low | 59.2 | Low | 121 Ų | 121 | 113 Ų | 113 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.9 | -36.1 | -173.3 | -69.4 | 176.6 | -99.8 | 0 | 0 | 112.2 | Q387 A393 R394 | Q387-Q390 HydrophobicContact CG-CB 4.28Å; Q387-Q390 HydrophobicContact CG-CG 4.45Å; Q387-Q390 PolarHBondContact O-N 2.91Å; Q390-A393 PolarHBondContact O-N 3.45Å; Q390-R394 WeakPolarHBondContact O-CB 3.44Å; Q390-R394 PolarHBondContact O-N 3.21Å |
| 391 | D | 62.7 | Low | 61.1 | Low | 95 Ų | 95 | 112 Ų | 112 | 51% | 0.508 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.1 | -37.3 | 171.7 | -67.9 | -45.3 | 0 | 0 | 0 | 111.7 | R394 M395 | D391-R394 WeakPolarHBondContact O-CB 3.42Å; D391-R394 PolarHBondContact O-N 3.01Å; D391-M395 PolarHBondContact O-N 3.09Å |
| 392 | K | 71.4 | Confident | 62.8 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63 | -47.2 | 170.9 | -164.1 | -164.8 | -176.9 | -56.2 | 0 | 111.3 | S388 R394 M395 D396 | S388-K392 WeakPolarHBondContact O-CB 3.47Å; S388-K392 PolarHBondContact O-N 3.2Å; K392-R394 PolarHBondContact O-N 3.08Å; K392-M395 PolarHBondContact O-N 3.18Å; K392-D396 IonicContact NZ-OD1 2.78Å; K392-D396 PolarHBondContact NZ-OD1 3.19Å; K392-D396 IonicContact NZ-OD2 3.21Å; K392-D396 PolarHBondContact NZ-OD2 3.19Å; K392-D396 WeakPolarHBondContact O-CB 3.31Å; K392-D396 PolarHBondContact O-N 2.79Å |
| 393 | A | 68.4 | Low | 64.8 | Low | 60 Ų | 60 | 109.5 Ų | 109.5 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.6 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A389 Q390 K397 | A389-A393 WeakPolarHBondContact O-CB 3.26Å; A389-A393 PolarHBondContact O-N 3.05Å; Q390-A393 PolarHBondContact O-N 3.45Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3Å; A393-K397 PolarHBondContact O-N 3.33Å; A393-K397 VanDerWaalsContact O-N 3.13Å |
| 394 | R | 73.3 | Confident | 66.7 | Low | 165 Ų | 165 | 109.6 Ų | 109.6 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.2 | -50.9 | 174.4 | -151.9 | 178.6 | -161.8 | 153.9 | 4.4 | 111.6 | Q390 D391 K392 K397 E398 | Q390-R394 WeakPolarHBondContact O-CB 3.44Å; Q390-R394 PolarHBondContact O-N 3.21Å; D391-R394 WeakPolarHBondContact O-CB 3.42Å; D391-R394 PolarHBondContact O-N 3.01Å; K392-R394 PolarHBondContact O-N 3.08Å; R394-K397 PolarHBondContact O-N 2.85Å; R394-E398 WeakPolarHBondContact O-CG 3.41Å; R394-E398 PolarHBondContact O-N 2.9Å |
| 395 | M | 69.6 | Low | 68.6 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.1 | -40.4 | 175.4 | -70.6 | -163.6 | -62.4 | 0 | 0 | 112.7 | D391 K392 K397 E398 Y399 | D391-M395 PolarHBondContact O-N 3.09Å; K392-M395 PolarHBondContact O-N 3.18Å; M395-K397 VanDerWaalsContact C-N 3.29Å; M395-K397 PolarHBondContact O-N 3.18Å; M395-E398 PolarHBondContact O-N 3.03Å; M395-Y399 VanDerWaalsContact O-CB 3.28Å; M395-Y399 WeakPolarHBondContact O-CB 3.35Å; M395-Y399 PolarHBondContact O-N 3.36Å |
| 396 | D | 75.8 | Confident | 69.3 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 36% | 0.358 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -39.7 | 175.2 | -70.5 | -10.4 | 0 | 0 | 0 | 110.8 | K392 L400 | K392-D396 IonicContact NZ-OD1 2.78Å; K392-D396 PolarHBondContact NZ-OD1 3.19Å; K392-D396 IonicContact NZ-OD2 3.21Å; K392-D396 PolarHBondContact NZ-OD2 3.19Å; K392-D396 WeakPolarHBondContact O-CB 3.31Å; K392-D396 PolarHBondContact O-N 2.79Å; D396-L400 VanDerWaalsContact O-CB 3.31Å; D396-L400 WeakPolarHBondContact O-CB 3.5Å; D396-L400 WeakPolarHBondContact O-CD1 3.46Å; D396-L400 VanDerWaalsContact O-CG 3.27Å; D396-L400 WeakPolarHBondContact O-CG 3.26Å; D396-L400 PolarHBondContact O-N 3.05Å |
| 397 | K | 81.8 | Confident | 69.6 | Low | 157 Ų | 157 | 107.4 Ų | 107.4 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.1 | -43.1 | 176 | -177.4 | -176.6 | 178 | -174.6 | 0 | 112.2 | A393 R394 M395 L400 S401 | A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3Å; A393-K397 PolarHBondContact O-N 3.33Å; A393-K397 VanDerWaalsContact O-N 3.13Å; R394-K397 PolarHBondContact O-N 2.85Å; M395-K397 VanDerWaalsContact C-N 3.29Å; M395-K397 PolarHBondContact O-N 3.18Å; K397-L400 PolarHBondContact O-N 3.25Å; K397-S401 WeakPolarHBondContact O-CB 3.26Å; K397-S401 PolarHBondContact O-N 3.26Å |
| 398 | E | 77.7 | Confident | 69.9 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 177.7 | -72.7 | 164.7 | -160.3 | 0 | 0 | 110.9 | R394 M395 S401 L402 | R394-E398 WeakPolarHBondContact O-CG 3.41Å; R394-E398 PolarHBondContact O-N 2.9Å; M395-E398 PolarHBondContact O-N 3.03Å; E398-S401 PolarHBondContact O-N 3.38Å; E398-L402 WeakPolarHBondContact O-CB 3.23Å; E398-L402 PolarHBondContact O-N 3.24Å |
| 399 | Y | 76 | Confident | 68.9 | Low | 149 Ų | 149 | 108.8 Ų | 108.8 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.7 | -45.1 | 172.8 | -177 | -90.2 | 0 | 0 | 0 | 112.9 | M395 S401 L402 M403 | M395-Y399 VanDerWaalsContact O-CB 3.28Å; M395-Y399 WeakPolarHBondContact O-CB 3.35Å; M395-Y399 PolarHBondContact O-N 3.36Å; Y399-S401 VanDerWaalsContact C-N 3.34Å; Y399-S401 PolarHBondContact O-N 3.32Å; Y399-L402 PolarHBondContact O-N 3.06Å; Y399-M403 HydrophobicContact CD1-CG 4.3Å; Y399-M403 HydrophobicContact CE1-CG 3.84Å; Y399-M403 HydrophobicContact CE1-SD 3.93Å; Y399-M403 PolarHBondContact O-N 2.92Å |
| 400 | L | 77 | Confident | 68.3 | Low | 120 Ų | 120 | 111 Ų | 111 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.6 | -37.4 | 176.4 | -79.6 | 164.4 | 0 | 0 | 0 | 112.3 | D396 K397 A404 | D396-L400 VanDerWaalsContact O-CB 3.31Å; D396-L400 WeakPolarHBondContact O-CB 3.5Å; D396-L400 WeakPolarHBondContact O-CD1 3.46Å; D396-L400 VanDerWaalsContact O-CG 3.27Å; D396-L400 WeakPolarHBondContact O-CG 3.26Å; D396-L400 PolarHBondContact O-N 3.05Å; K397-L400 PolarHBondContact O-N 3.25Å; L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.5Å |
| 401 | S | 78.8 | Confident | 67.3 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -41.7 | 174.7 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | K397 E398 Y399 A404 E405 | K397-S401 WeakPolarHBondContact O-CB 3.26Å; K397-S401 PolarHBondContact O-N 3.26Å; E398-S401 PolarHBondContact O-N 3.38Å; Y399-S401 VanDerWaalsContact C-N 3.34Å; Y399-S401 PolarHBondContact O-N 3.32Å; S401-A404 PolarHBondContact O-N 2.81Å; S401-E405 WeakPolarHBondContact O-CB 3.45Å; S401-E405 PolarHBondContact O-N 3.36Å |
| 402 | L | 70.1 | Confident | 66.2 | Low | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 177 | -172.2 | 70 | 0 | 0 | 0 | 112.2 | E398 Y399 A404 E405 L406 | E398-L402 WeakPolarHBondContact O-CB 3.23Å; E398-L402 PolarHBondContact O-N 3.24Å; Y399-L402 PolarHBondContact O-N 3.06Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-E405 PolarHBondContact O-N 3.48Å; L402-L406 HydrophobicContact CG-CD1 4.22Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 3.33Å; L402-L406 VanDerWaalsContact O-N 3.08Å |
| 403 | M | 76.1 | Confident | 64.3 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 34% | 0.335 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.5 | -33.3 | 174.1 | -76.1 | -127.7 | 66 | 0 | 0 | 113 | Y399 G407 E408 | Y399-M403 HydrophobicContact CD1-CG 4.3Å; Y399-M403 HydrophobicContact CE1-CG 3.84Å; Y399-M403 HydrophobicContact CE1-SD 3.93Å; Y399-M403 PolarHBondContact O-N 2.92Å; M403-G407 PolarHBondContact O-N 3.5Å; M403-E408 WeakPolarHBondContact CE-O 3.34Å |
| 404 | A | 74.6 | Confident | 62.7 | Low | 78 Ų | 78 | 115.8 Ų | 115.8 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -37.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L400 S401 L402 G407 | L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.5Å; S401-A404 PolarHBondContact O-N 2.81Å; L402-A404 VanDerWaalsContact C-N 3.34Å; A404-G407 PolarHBondContact O-N 2.79Å |
| 405 | E | 71.4 | Confident | 60.5 | Low | 162 Ų | 162 | 111.6 Ų | 111.6 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.8 | -26.3 | 179.5 | -166.7 | 166.8 | -176.5 | 0 | 0 | 112.8 | S401 L402 | S401-E405 WeakPolarHBondContact O-CB 3.45Å; S401-E405 PolarHBondContact O-N 3.36Å; L402-E405 PolarHBondContact O-N 3.48Å |
| 406 | L | 63.6 | Low | 58.5 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -2 | 172.1 | -71.8 | 169.1 | 0 | 0 | 0 | 114.3 | L402 E408 | L402-L406 HydrophobicContact CG-CD1 4.22Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 3.33Å; L402-L406 VanDerWaalsContact O-N 3.08Å; L406-E408 PolarHBondContact O-N 3.11Å |
| 407 | G | 55.4 | Low | 56.1 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | trans | 74.2 | -12 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | M403 A404 A409 | M403-G407 PolarHBondContact O-N 3.5Å; A404-G407 PolarHBondContact O-N 2.79Å; G407-A409 PolarHBondContact O-N 3.47Å | ||
| 408 | E | 60.4 | Low | 53.7 | Low | 155 Ų | 155 | 110.9 Ų | 110.9 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | -91 | 76.4 | -177.7 | -67.2 | -165.9 | 161.5 | 0 | 0 | 113.1 | M403 L406 P410 | M403-E408 WeakPolarHBondContact CE-O 3.34Å; L406-E408 PolarHBondContact O-N 3.11Å; E408-P410 WeakPolarHBondContact O-CD 3.45Å | ||
| 409 | A | 40.8 | Very low | 51.3 | Low | 87 Ų | 87 | 110.2 Ų | 110.2 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 121.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G407 V411 | G407-A409 PolarHBondContact O-N 3.47Å; A409-V411 PolarHBondContact O-N 3.31Å |
| 410 | P | 44.6 | Very low | 49.1 | Very low | 123 Ų | 123 | 109 Ų | 109 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.3 | -176.6 | -19.7 | 32.8 | 0 | 0 | 0 | 113 | E408 | E408-P410 WeakPolarHBondContact O-CD 3.45Š|
| 411 | V | 44.7 | Very low | 46.6 | Very low | 130 Ų | 130 | 108.5 Ų | 108.5 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 138.9 | 157.6 | -68.2 | 0 | 0 | 0 | 0 | 109.5 | A409 | A409-V411 PolarHBondContact O-N 3.31Š|
| 412 | P | 38.9 | Very low | 45.3 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.7 | 179.2 | 27.2 | -33.8 | 0 | 0 | 0 | 111.7 | ||
| 413 | S | 31.8 | Very low | 43.3 | Very low | 123 Ų | 123 | 111 Ų | 111 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 164.9 | -166.2 | -159.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 414 | S | 34.8 | Very low | 41 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 149.7 | -155.6 | -45.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 415 | G | 27.6 | Very low | 39.1 | Very low | 77 Ų | 77 | 112 Ų | 112 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 146.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 416 | G | 27.6 | Very low | 37.9 | Very low | 87 Ų | 87 | 110.2 Ų | 110.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 158.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 417 | G | 25.3 | Very low | 36.4 | Very low | 66 Ų | 66 | 115.7 Ų | 115.7 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -169.8 | 87.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 418 | H | 29.9 | Very low | 35.1 | Very low | 183 Ų | 183 | 117.3 Ų | 117.3 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | 56.5 | 114.2 | 154.2 | -57.3 | -69.2 | 0 | 0 | 0 | 122.7 | ||||
| 419 | S | 28.6 | Very low | 33.8 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | 54.2 | 109.5 | 120.8 | -49.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 420 | S | 28.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 173.4 | 163.2 | 109.3 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 421 | S | 25.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -112.1 | -175.5 | 173 | -40.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 422 | P | 51.6 | Low | 33 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -138.4 | -164.8 | -3.3 | 42.8 | -23.9 | 0 | 0 | 0 | 114.8 | ||||
| 423 | A | 27.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 115 Ų | 115 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 75 | 152.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 424 | G | 28.6 | Very low | 32.7 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | cis | -160.6 | 177.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 425 | A | 33.2 | Very low | 32.8 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 426 | P | 46.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -127.4 | 160.1 | 78.5 | 9.5 | 13.7 | 0 | 0 | 0 | 113.1 | |||||
| 427 | R | 32.4 | Very low | 34.5 | Very low | 241 Ų | 241 | 121.8 Ų | 121.8 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | cis | 83.7 | 100.8 | 37.3 | -90.3 | -168 | 167.1 | -150.6 | -1.6 | 117 | ||||
| 428 | A | 29.1 | Very low | 35.7 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 172.5 | 156.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 429 | S | 31.8 | Very low | 36.2 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | cis | -164.2 | 160.5 | -26.9 | -85.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 430 | G | 32.9 | Very low | 36.8 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -87.8 | -162.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 431 | P | 47.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | cis | -141.9 | -178.9 | 13.7 | 43.3 | -23.8 | 0 | 0 | 0 | 118.7 | ||||
| 432 | N | 33.3 | Very low | 38.1 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -30.2 | 143.1 | 170.4 | -179.8 | 32.9 | 0 | 0 | 0 | 121.8 | ||||
| 433 | S | 32 | Very low | 37.6 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -173.6 | 121.4 | 133.3 | -81.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 434 | N | 32.9 | Very low | 38.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | 41.8 | 120.7 | 149.6 | -71.4 | -10.5 | 0 | 0 | 0 | 126.1 | ||||
| 435 | Q | 36.3 | Very low | 38.3 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 49 | 140.5 | 134.5 | -80.1 | -138.3 | 23.7 | 0 | 0 | 122.9 | ||||
| 436 | P | 44 | Very low | 38.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | -141.9 | -176.4 | 72.2 | 36.3 | -15.7 | 0 | 0 | 0 | 115.8 | |||||
| 437 | P | 46.8 | Very low | 37.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -107.3 | -153.2 | -164 | 47.1 | -39.5 | 0 | 0 | 0 | 114.1 | ||||
| 438 | P | 51.5 | Low | 38.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | -110.8 | 162 | -122.9 | 19 | 5.9 | 0 | 0 | 0 | 115.7 | |||||
| 439 | N | 39.1 | Very low | 38.8 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -104 | 144.5 | -172.6 | -158.9 | -10.2 | 0 | 0 | 0 | 113.4 | ||||
| 440 | R | 42.6 | Very low | 38.7 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 114.8 | -175.6 | -144.7 | -168.6 | -158.4 | -148.6 | 9 | 111.5 | ||||
| 441 | P | 40.1 | Very low | 38.6 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -107.2 | 175 | 179.9 | 43.8 | -36.7 | 0 | 0 | 0 | 111.8 | ||||
| 442 | P | 39.6 | Very low | 37.6 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | S | Bend | -139.2 | 96.6 | -87.5 | 32.6 | -9.6 | 0 | 0 | 0 | 113.3 | |||
| 443 | W | 41.3 | Very low | 37.4 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -143.5 | 14 | 171.3 | 82.2 | -74.5 | 0 | 0 | 0 | 115.8 | ||
| 444 | M | 38.1 | Very low | 37.3 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -134.6 | 99.9 | 175.2 | -79 | -175.2 | 152.6 | 0 | 0 | 111.6 | ||||
| 445 | S | 33.2 | Very low | 37.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -154.5 | 148.3 | 161.8 | -80.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 446 | S | 35.6 | Very low | 37.7 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -138.7 | 115.5 | -157.8 | 54.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 447 | G | 32.7 | Very low | 37.1 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 68 | -176.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 448 | P | 54.3 | Low | 36.2 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | cis | -134.8 | -158.6 | -16.3 | 41.8 | -24.3 | 0 | 0 | 0 | 113.7 | ||||
| 449 | S | 29.2 | Very low | 35 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | 86.2 | 117 | 155.7 | 70.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 450 | E | 29.5 | Very low | 35.5 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | 44.9 | 111.6 | 126.3 | -61.5 | -174.1 | 90 | 0 | 0 | 126.5 | |||||
| 451 | N | 30.3 | Very low | 34.8 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | 59.7 | 104.9 | 114.1 | -169.2 | 18.9 | 0 | 0 | 0 | 123.6 | |||||
| 452 | R | 28.2 | Very low | 34.3 | Very low | 239 Ų | 239 | 135.9 Ų | 135.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 174.7 | 164.3 | 139.8 | -102 | 171.7 | 162.2 | 121.2 | -4.2 | 109.8 | ||||
| 453 | N | 27.3 | Very low | 34.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | cis | -168.2 | 163 | -39.7 | 178.2 | 47 | 0 | 0 | 0 | 109.1 | ||||
| 454 | Y | 30.8 | Very low | 34 | Very low | 202 Ų | 202 | 129.3 Ų | 129.3 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -53 | 159.5 | 176.6 | -96.2 | -84.4 | 0 | 0 | 0 | 116.2 | ||||
| 455 | P | 46.2 | Very low | 33.6 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | -138.2 | 176 | 59.8 | 38.6 | -20.7 | 0 | 0 | 0 | 116.4 | |||||
| 456 | G | 30.6 | Very low | 34.4 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | cis | 136.8 | 107.2 | -13 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 457 | M | 31.8 | Very low | 34.3 | Very low | 202 Ų | 202 | 126.6 Ų | 126.6 | 100% | 0.995 | 80% | 0.799 | S | S | * | * | trans | -178.4 | 151.6 | 159.6 | -101.9 | 179.9 | 87 | 0 | 0 | 110.3 | ||||
| 458 | G | 29 | Very low | 34.2 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 177.6 | 30.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 459 | G | 26.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 71.5 | -165.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 460 | P | 48.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -137.4 | 170.5 | -6.7 | 41.4 | -24.5 | 0 | 0 | 0 | 117.8 | ||||
| 461 | T | 29.5 | Very low | 34.9 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | 63.9 | 164.8 | 167.9 | 41.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 462 | G | 29.7 | Very low | 36.1 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 133.7 | 165.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 463 | P | 45.6 | Very low | 36.7 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | -135.3 | 178 | -7.3 | 43.6 | -27.1 | 0 | 0 | 0 | 116.1 | ||||
| 464 | G | 27.3 | Very low | 37.3 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | 88.1 | 133.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 465 | G | 30.2 | Very low | 37.7 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 152.2 | 165.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 466 | P | 49.4 | Very low | 37.1 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | cis | -137.5 | 156.2 | -12.2 | 41 | -23.2 | 0 | 0 | 0 | 117.4 | ||||
| 467 | Q | 33.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | 52.1 | 113.4 | 138.8 | -58.2 | -65.3 | -9.2 | 0 | 0 | 125.4 | ||||
| 468 | S | 30.3 | Very low | 37.1 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | 67.6 | 141.4 | 118.1 | -58.6 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 469 | F | 32.6 | Very low | 37.8 | Very low | 207 Ų | 207 | 122.6 Ų | 122.6 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -85.6 | 173.4 | 167.1 | -83.6 | -99.1 | 0 | 0 | 0 | 112.2 | ||||
| 470 | P | 54.5 | Low | 38.7 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | cis | -120.1 | -140.6 | 6.1 | 39.6 | -19 | 0 | 0 | 0 | 110.7 | ||||
| 471 | P | 40.9 | Very low | 38.6 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | -127.8 | -169.3 | -9.8 | 44.4 | -25.3 | 0 | 0 | 0 | 114.8 | ||||
| 472 | P | 55.6 | Low | 39.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -105.1 | 149.5 | -167 | 38.4 | -33.1 | 0 | 0 | 0 | 118.7 | ||||
| 473 | M | 40.8 | Very low | 40.2 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 64.4 | 137.3 | 164 | -66.9 | -155.2 | -66.7 | 0 | 0 | 118.7 | ||||
| 474 | P | 40.3 | Very low | 39.8 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | -144.1 | -172.2 | 85.1 | 41.1 | -24.6 | 0 | 0 | 0 | 115.8 | |||||
| 475 | N | 40 | Very low | 40.7 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -112.1 | 136.1 | -176.1 | 151.4 | 80.7 | 0 | 0 | 0 | 112.9 | ||||
| 476 | M | 32.6 | Very low | 41.7 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -179.8 | 150.7 | 152 | -102.1 | 172.1 | 83.6 | 0 | 0 | 108.8 | ||||
| 477 | G | 31.3 | Very low | 41.4 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 179 | 154.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 478 | G | 31.7 | Very low | 42.3 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -144.8 | 155.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 479 | P | 43.4 | Very low | 43.3 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -72.5 | 147.7 | -164.5 | 28 | -35.2 | 0 | 0 | 0 | 113.8 | ||||
| 480 | P | 45.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 149.2 | -174.9 | 34.1 | -35.8 | 0 | 0 | 0 | 113.9 | ||||
| 481 | M | 45.3 | Very low | 44.1 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -109.8 | 143.9 | 156.8 | -76.1 | -91 | -78.3 | 0 | 0 | 108.2 | ||||
| 482 | P | 50.6 | Low | 44.5 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 146.3 | -172.9 | 29.5 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 483 | P | 41.9 | Very low | 44.4 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 137.8 | 174.9 | 30.9 | -34 | 0 | 0 | 0 | 111.8 | ||
| 484 | N | 38.3 | Very low | 44.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 126.1 | 169.9 | 176.9 | 12.6 | 0 | 0 | 0 | 110 | N486 | N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.15Å; N484-N486 PolarHBondContact OD1-N 3.45Å |
| 485 | P | 46.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -64.8 | -20.9 | -177.3 | -24.9 | 35.4 | 0 | 0 | 0 | 116.3 | ||
| 486 | N | 49.9 | Very low | 45.7 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -109.6 | 77.8 | -168.3 | -79 | 39.9 | 0 | 0 | 0 | 113.2 | N484 | N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.15Å; N484-N486 PolarHBondContact OD1-N 3.45Å | ||
| 487 | G | 43.3 | Very low | 46.5 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -140.3 | 122.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 488 | M | 52.5 | Low | 47.3 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -79 | 142.4 | 178.4 | -66.2 | 169.7 | 64.8 | 0 | 0 | 111.6 | ||
| 489 | P | 51.7 | Low | 48.2 | Very low | 101 Ų | 101 | 129 Ų | 129 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72 | 153.9 | 175.7 | 30.5 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 490 | P | 55.7 | Low | 48.1 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 44% | 0.435 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -75.2 | 162.9 | -174.4 | 32.1 | -37 | 0 | 0 | 0 | 113.6 | W492 | P490-W492 VanDerWaalsContact C-N 3.26Å; P490-W492 HydrophobicContact CG-CZ2 4.03Å; P490-W492 PolarHBondContact O-N 2.97Å |
| 491 | P | 47.4 | Very low | 47.6 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -70.6 | -4.6 | -156.7 | -23.7 | 35.7 | 0 | 0 | 0 | 117.9 | ||
| 492 | W | 50.6 | Low | 47.2 | Very low | 210 Ų | 210 | 131.1 Ų | 131.1 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -94.9 | 12 | -168.5 | 37.4 | -80.3 | 0 | 0 | 0 | 114.6 | P490 | P490-W492 VanDerWaalsContact C-N 3.26Å; P490-W492 HydrophobicContact CG-CZ2 4.03Å; P490-W492 PolarHBondContact O-N 2.97Å |
| 493 | M | 52.3 | Low | 46.3 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -122 | 22.8 | 177.3 | -65.6 | 176.9 | 66.2 | 0 | 0 | 113.4 | ||
| 494 | Q | 51.3 | Low | 46.3 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -102 | 124.7 | 177.2 | -71.5 | -76 | -17.6 | 0 | 0 | 111 | ||
| 495 | P | 48.1 | Very low | 46.2 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 156.7 | 173.9 | 32.7 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 496 | P | 49.8 | Very low | 46.2 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 151 | -178.1 | 31.4 | -35.7 | 0 | 0 | 0 | 113.3 | ||
| 497 | P | 48.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 154.5 | -179.7 | 33.2 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 498 | P | 49.4 | Very low | 44.9 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 161.4 | 176.4 | 34.1 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 499 | P | 50.1 | Low | 44.1 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 149.8 | 177.9 | 32.6 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 500 | M | 41.2 | Very low | 43.9 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 97% | 0.966 | 78% | 0.779 | S | S | * | * | trans | -104.9 | 133.2 | -177.1 | -142.8 | 172.4 | -162 | 0 | 0 | 112.4 | ||||
| 501 | G | 35 | Very low | 42.9 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -86.8 | -176 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 502 | Q | 37.3 | Very low | 42.2 | Very low | 205 Ų | 205 | 134.2 Ų | 134.2 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -96.7 | 128.2 | -166.7 | -60.6 | 177.9 | 3.3 | 0 | 0 | 115.1 | ||||
| 503 | G | 31.1 | Very low | 41.5 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 69.2 | 179.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 504 | P | 43 | Very low | 41 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | cis | -117.3 | -176.8 | -12.8 | 40.1 | -26.8 | 0 | 0 | 0 | 113.4 | ||||
| 505 | A | 35.3 | Very low | 40.6 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 168.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 506 | P | 47.3 | Very low | 40.6 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | -148.7 | 142 | 102.3 | 36.5 | -19.6 | 0 | 0 | 0 | 118.3 | |||||
| 507 | H | 34.7 | Very low | 40.8 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | 37.9 | 127.6 | 139.2 | -53.8 | 97.6 | 0 | 0 | 0 | 123.7 | ||||
| 508 | G | 30.6 | Very low | 40.3 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 177 | 102.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 509 | H | 36.4 | Very low | 39.9 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 89% | 0.889 | 83% | 0.827 | S | S | * | * | trans | -130.8 | 148.9 | 169.8 | -67 | -50.2 | 0 | 0 | 0 | 108.7 | ||||
| 510 | P | 47.5 | Very low | 39.5 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | -148.4 | 174.6 | 83.6 | 39.3 | -21.1 | 0 | 0 | 0 | 116 | |||||
| 511 | M | 34.6 | Very low | 39.5 | Very low | 188 Ų | 188 | 136 Ų | 136 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | 28.6 | 136.1 | 159.4 | -56.7 | -59.4 | -163.5 | 0 | 0 | 120.8 | ||||
| 512 | G | 32.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | cis | 122.1 | 115 | 5.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 513 | L | 35.6 | Very low | 40.9 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -169.7 | 154.2 | 166.7 | -107.1 | 168.4 | 0 | 0 | 0 | 110.3 | ||||
| 514 | L | 42.3 | Very low | 41.8 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -117 | 138.8 | -176.7 | -78 | 165.4 | 0 | 0 | 0 | 112.6 | ||||
| 515 | P | 41.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -111.4 | 164.1 | 155.8 | -2.8 | 24.8 | 0 | 0 | 0 | 114 | ||||
| 516 | P | 49.4 | Very low | 43.1 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -89.6 | 172.3 | -169.5 | 36.7 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 517 | P | 52.3 | Low | 43.3 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 151.3 | -173.3 | 31.8 | -37 | 0 | 0 | 0 | 114.4 | ||||
| 518 | M | 40 | Very low | 43.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -107.3 | 141.8 | 179.5 | -70.3 | -71.3 | -79.3 | 0 | 0 | 112.4 | ||||
| 519 | S | 39.1 | Very low | 44.4 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 158.6 | -172 | -53.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 520 | I | 42.5 | Very low | 44.3 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -62.6 | 135.6 | 174.3 | -64.6 | 164.7 | 0 | 0 | 0 | 110.9 | ||||
| 521 | M | 40.4 | Very low | 44.1 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -117 | 129.8 | 169.4 | -168.7 | 165.2 | 69.6 | 0 | 0 | 109.5 | ||||
| 522 | P | 52.5 | Low | 44.6 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 153.4 | -176 | 31.5 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 523 | P | 50.1 | Low | 45.4 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 155.8 | 175.4 | 31.7 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 524 | P | 50.1 | Low | 46.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 157.7 | -179.3 | 31.1 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 525 | P | 53.6 | Low | 46.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 157.2 | 179.4 | 32 | -36.2 | 0 | 0 | 0 | 113.4 | ||
| 526 | P | 52.5 | Low | 47.1 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 155.6 | 179.7 | 32.6 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 527 | P | 50.6 | Low | 47.1 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 155.3 | 176.2 | 32 | -35.9 | 0 | 0 | 0 | 112.8 | ||
| 528 | P | 45.4 | Very low | 46.8 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 136 | -175.5 | 32.2 | -34.9 | 0 | 0 | 0 | 114 | ||
| 529 | G | 42.4 | Very low | 47.3 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 44.4 | 105.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 530 | N | 35.6 | Very low | 47.8 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -138.5 | 123.1 | 149.2 | -122.6 | -5.1 | 0 | 0 | 0 | 108.8 | ||||
| 531 | Q | 43.8 | Very low | 48.3 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 137.9 | 177.9 | -73 | -174.6 | -12.7 | 0 | 0 | 110.8 | ||
| 532 | P | 43.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 148.9 | 164.6 | 32.2 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 533 | P | 50.5 | Low | 48 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 158.3 | 175 | 30.4 | -35.6 | 0 | 0 | 0 | 112 | ||
| 534 | P | 49.3 | Very low | 48 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.9 | 175.3 | 28.8 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 535 | P | 57.5 | Low | 47.5 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 153.2 | 179.6 | 31 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 536 | P | 47.2 | Very low | 47 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 144 | 174.9 | 30.4 | -35 | 0 | 0 | 0 | 112 | A538 | P536-A538 PolarHBondContact O-N 2.94Š|
| 537 | S | 49.7 | Very low | 46.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.3 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 538 | A | 47.1 | Very low | 46 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 153.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | P536 | P536-A538 PolarHBondContact O-N 2.94Š|
| 539 | P | 49.4 | Very low | 46.3 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 157.5 | -172.8 | 29.4 | -36 | 0 | 0 | 0 | 114.4 | ||
| 540 | L | 50.6 | Low | 47 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 148.5 | -178.1 | -69 | 168.9 | 0 | 0 | 0 | 113.2 | ||
| 541 | P | 52.8 | Low | 47.3 | Very low | 79 Ų | 79 | 132 Ų | 132 | 51% | 0.513 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 150.3 | 172.6 | -20.8 | 33.9 | 0 | 0 | 0 | 113.7 | W543 | P541-W543 VanDerWaalsContact C-N 3.25Å; P541-W543 PolarHBondContact O-N 3.43Å |
| 542 | P | 41 | Very low | 47.1 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 28.7 | -165.9 | 35.1 | -39.2 | 0 | 0 | 0 | 115.6 | ||
| 543 | W | 44.8 | Very low | 47.2 | Very low | 214 Ų | 214 | 130.3 Ų | 130.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 0.9 | 177.4 | 62.8 | -91.4 | 0 | 0 | 0 | 114 | P541 | P541-W543 VanDerWaalsContact C-N 3.25Å; P541-W543 PolarHBondContact O-N 3.43Å |
| 544 | Q | 49.6 | Very low | 46.4 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 66.8 | -178.7 | -167.6 | 172.1 | -118.2 | 0 | 0 | 111.4 | ||||
| 545 | Q | 41.5 | Very low | 45.7 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -114.5 | 144.2 | 161.3 | -69.3 | -169 | 13.9 | 0 | 0 | 109.4 | ||||
| 546 | Q | 41.6 | Very low | 44.4 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 137.4 | -172.6 | -64 | 171.1 | -2.9 | 0 | 0 | 111.1 | ||
| 547 | A | 40.2 | Very low | 43.6 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 548 | P | 43.4 | Very low | 42.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 154.7 | 175.9 | 30.1 | -35.1 | 0 | 0 | 0 | 112 | ||
| 549 | P | 50.8 | Low | 41.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 151.3 | -176.6 | 31.5 | -36 | 0 | 0 | 0 | 113.2 | ||
| 550 | P | 56.1 | Low | 41.2 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78 | 152.1 | 173.8 | 32.7 | -35.1 | 0 | 0 | 0 | 112.6 | ||
| 551 | P | 42.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 159 | 173.3 | 31.5 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 552 | P | 40 | Very low | 40.8 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 155.2 | -170.9 | 32.4 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 553 | T | 45.8 | Very low | 41.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 148.8 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 554 | S | 33.8 | Very low | 40.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -157.7 | 145.5 | 163.2 | -72.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 555 | S | 33.4 | Very low | 40 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | -166.7 | 172.1 | -9.2 | -92.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 556 | M | 31.3 | Very low | 39.6 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | 71.3 | 122.4 | 169.1 | -40.6 | -174.9 | -167.4 | 0 | 0 | 114.9 | ||||
| 557 | A | 30.7 | Very low | 39.1 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | cis | 90.7 | 134.7 | 18.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 558 | T | 28.8 | Very low | 38.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 148.6 | 171 | 8.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 559 | S | 30.9 | Very low | 37.9 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 139.7 | 3.8 | -13.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 560 | T | 35 | Very low | 36.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | 51 | 165.6 | 135.7 | 27.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 561 | P | 61.2 | Low | 35.5 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | trans | -137.2 | -135.4 | -140.9 | 37 | -10.9 | 0 | 0 | 0 | 115.1 | ||||
| 562 | L | 33.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 89.2 | 158.4 | 175.1 | -82.3 | 79.8 | 0 | 0 | 0 | 117.3 | ||||
| 563 | P | 53.4 | Low | 34.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | cis | -145.4 | -160.4 | -37.7 | 42 | -23.9 | 0 | 0 | 0 | 114.4 | ||||
| 564 | W | 33.3 | Very low | 34.6 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | 83.1 | 108.6 | 156.7 | 149.8 | -72.8 | 0 | 0 | 0 | 116.8 | ||||
| 565 | Q | 33.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | 80.7 | 140.2 | 72.9 | -67.3 | -128.2 | 33.8 | 0 | 0 | 111.6 | |||||
| 566 | Q | 33.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | cis | -162.4 | 145.7 | 26.7 | -159.4 | 165.2 | 89.6 | 0 | 0 | 112.7 | ||||
| 567 | N | 30.9 | Very low | 34.4 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 57 | 154 | 151.5 | -77.2 | -6.2 | 0 | 0 | 0 | 121.9 | ||||
| 568 | T | 27.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | -154.9 | 144.2 | 5.7 | -1.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 569 | T | 30.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 75 | 132.2 | 139.5 | -41 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 570 | T | 27.2 | Very low | 36.8 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 94.5 | 118.7 | 149.9 | 21.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 571 | T | 29.1 | Very low | 37.1 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | 82.1 | 144.8 | 146.3 | -48.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 572 | S | 29.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -130.5 | 138 | -147.9 | 54.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 573 | S | 33.9 | Very low | 37.6 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | -45.2 | 171.8 | 150.7 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 574 | P | 45.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 115.3 Ų | 115.3 | 87% | 0.87 | 67% | 0.674 | S | S | * | * | cis | -142.2 | 176 | 20.8 | 42.9 | -23.8 | 0 | 0 | 0 | 118.1 | ||||
| 575 | G | 28.9 | Very low | 37.6 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | 179.9 | 74.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 576 | S | 34 | Very low | 37.8 | Very low | 123 Ų | 123 | 113.5 Ų | 113.5 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -85.4 | 123.1 | 178.3 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 577 | S | 32.7 | Very low | 37.8 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -94.1 | 103.8 | 173.9 | 40.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 578 | S | 39.5 | Very low | 38.1 | Very low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 121.8 | 175.3 | 50 | 0 | 0 | 0 | 0 | 111.8 | ||
| 579 | L | 50.8 | Low | 38.2 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145.3 | 168.7 | -71.3 | 173.1 | 0 | 0 | 0 | 111.1 | ||
| 580 | P | 49.5 | Very low | 38.4 | Very low | 14 Ų | 14 | 114.6 Ų | 114.6 | 9% | 0.091 | 70% | 0.704 | C | S | . | * | P | Polyproline II helix | trans | -72.1 | 150.5 | -179.6 | 29.7 | -34.8 | 0 | 0 | 0 | 112.5 | W582 Q583 | P580-W582 HydrophobicContact CB-CD2 4.02Å; P580-W582 HydrophobicContact CB-CE3 3.76Å; P580-W582 HydrophobicContact CB-CH2 3.52Å; P580-W582 HydrophobicContact CB-CZ2 3.77Å; P580-W582 HydrophobicContact CB-CZ3 3.51Å; P580-W582 HydrophobicContact CG-CD2 4.27Å; P580-W582 HydrophobicContact CG-CE3 4.46Å; P580-W582 HydrophobicContact CG-CH2 3.85Å; P580-W582 HydrophobicContact CG-CZ2 3.58Å; P580-W582 HydrophobicContact CG-CZ3 4.29Å; P580-W582 PolarHBondContact O-N 3.05Å; P580-W582 VanDerWaalsContact O-N 3.08Å; P580-Q583 HydrophobicContact CG-CG 4.28Å; P580-Q583 PolarHBondContact O-N 3.12Å; P580-Q583 VanDerWaalsContact O-N 3.11Å |
| 581 | P | 42.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -67 | -16.9 | -166.8 | 25.2 | -35.1 | 0 | 0 | 0 | 115.3 | Q583 | P581-Q583 VanDerWaalsContact C-N 3.32Š|
| 582 | W | 51.1 | Low | 38.7 | Very low | 86 Ų | 86 | 113.4 Ų | 113.4 | 33% | 0.326 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -81.6 | -7.1 | 177.1 | 71 | 82.2 | 0 | 0 | 0 | 114 | P118 Y129 P580 | P118-W582 HydrophobicContact CG-CH2 3.62Å; P118-W582 HydrophobicContact CG-CZ3 3.86Å; Y129-W582 AromaticContact CD2-CE2 3.73Å; Y129-W582 AromaticContact CD2-CH2 3.57Å; Y129-W582 HydrophobicContact CD2-CH2 3.57Å; Y129-W582 AromaticContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ3 4.37Å; Y129-W582 HydrophobicContact CE1-CH2 4.49Å; Y129-W582 HydrophobicContact CE2-CD2 4.13Å; Y129-W582 AromaticContact CE2-CE2 3.73Å; Y129-W582 HydrophobicContact CE2-CE3 4.05Å; Y129-W582 AromaticContact CE2-CH2 3.22Å; Y129-W582 HydrophobicContact CE2-CH2 3.22Å; Y129-W582 AromaticContact CE2-CZ2 3.31Å; Y129-W582 HydrophobicContact CE2-CZ2 3.31Å; Y129-W582 AromaticContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CG-CH2 4.32Å; Y129-W582 HydrophobicContact CG-CZ2 4.08Å; Y129-W582 AromaticContact CZ-CH2 3.73Å; Y129-W582 AromaticContact CZ-CZ3 4Å; P580-W582 HydrophobicContact CB-CD2 4.02Å; P580-W582 HydrophobicContact CB-CE3 3.76Å; P580-W582 HydrophobicContact CB-CH2 3.52Å; P580-W582 HydrophobicContact CB-CZ2 3.77Å; P580-W582 HydrophobicContact CB-CZ3 3.51Å; P580-W582 HydrophobicContact CG-CD2 4.27Å; P580-W582 HydrophobicContact CG-CE3 4.46Å; P580-W582 HydrophobicContact CG-CH2 3.85Å; P580-W582 HydrophobicContact CG-CZ2 3.58Å; P580-W582 HydrophobicContact CG-CZ3 4.29Å; P580-W582 PolarHBondContact O-N 3.05Å; P580-W582 VanDerWaalsContact O-N 3.08Å |
| 583 | Q | 52.4 | Low | 38.7 | Very low | 81 Ų | 81 | 113 Ų | 113 | 38% | 0.379 | 72% | 0.717 | S | S | . | * | G | 310 helix | trans | -96.8 | 1.2 | 175.6 | -69.2 | -175.4 | -15.1 | 0 | 0 | 113.4 | P580 P581 P585 | P580-Q583 HydrophobicContact CG-CG 4.28Å; P580-Q583 PolarHBondContact O-N 3.12Å; P580-Q583 VanDerWaalsContact O-N 3.11Å; P581-Q583 VanDerWaalsContact C-N 3.32Å; Q583-P585 WeakPolarHBondContact O-CD 3.49Å |
| 584 | Q | 45.5 | Very low | 38.5 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | trans | -83 | 122.1 | 177 | -68.6 | -171.2 | -9.2 | 0 | 0 | 111.4 | Q586 | Q584-Q586 PolarHBondContact O-N 3.29Š| ||
| 585 | P | 42.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 115.3 Ų | 115.3 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -71.1 | 119.5 | 169.4 | 29 | -32.3 | 0 | 0 | 0 | 109.6 | Q583 Q587 | Q583-P585 WeakPolarHBondContact O-CD 3.49Å; P585-Q587 PolarHBondContact O-N 3.04Å; P585-Q587 VanDerWaalsContact O-N 3.11Å | ||
| 586 | Q | 37 | Very low | 38.8 | Very low | 199 Ų | 199 | 117.9 Ų | 117.9 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | trans | -64.4 | 113 | 173.1 | -71.7 | -174.5 | -9.2 | 0 | 0 | 110.2 | Q584 | Q584-Q586 PolarHBondContact O-N 3.29Š| ||
| 587 | Q | 34 | Very low | 38.7 | Very low | 165 Ų | 165 | 120 Ų | 120 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 134.3 | 166.4 | -73.1 | -70.7 | -27.4 | 0 | 0 | 108.9 | P585 | P585-Q587 PolarHBondContact O-N 3.04Å; P585-Q587 VanDerWaalsContact O-N 3.11Å |
| 588 | P | 36 | Very low | 39.6 | Very low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 145.5 | 173.1 | 30.1 | -33.9 | 0 | 0 | 0 | 110.5 | V590 | P588-V590 PolarHBondContact O-N 3.2Š|
| 589 | A | 29.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 88% | 0.884 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 590 | V | 35 | Very low | 38.2 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -113.1 | 147.9 | 171.3 | -67 | 0 | 0 | 0 | 0 | 110.1 | P588 | P588-V590 PolarHBondContact O-N 3.2Š| ||
| 591 | S | 30.6 | Very low | 37.7 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -128.2 | 146.5 | 167.3 | -73.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 592 | A | 32.2 | Very low | 37.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -99.7 | 154.1 | -146.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 593 | A | 28.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -149.4 | 147.6 | 147 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 594 | Q | 30.2 | Very low | 35.6 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -139.2 | 169.4 | 175.6 | -72 | -170.8 | -64.9 | 0 | 0 | 108.5 | ||||
| 595 | P | 49.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | cis | -122.7 | -171.4 | -40.7 | 36.1 | -20.7 | 0 | 0 | 0 | 110.3 | ||||
| 596 | P | 31.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | -138.8 | -178.3 | 103.7 | 38.3 | -26.3 | 0 | 0 | 0 | 114.4 | |||||
| 597 | L | 32.3 | Very low | 36.1 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -87.9 | 164.9 | -170.1 | -78.1 | 169.5 | 0 | 0 | 0 | 114.2 | ||||
| 598 | P | 51.6 | Low | 36.5 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -96.7 | 157.2 | -157.1 | 37.2 | -36.9 | 0 | 0 | 0 | 115.7 | ||||
| 599 | M | 29.4 | Very low | 36.7 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 95% | 0.946 | 82% | 0.82 | S | S | * | * | trans | -145.2 | 151 | 158.6 | -80.1 | -152.8 | 77.8 | 0 | 0 | 112 | ||||
| 600 | G | 30.9 | Very low | 37.6 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 78 | 90.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 601 | T | 39.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -61.7 | 130.7 | 155.5 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 602 | Q | 29 | Very low | 38.6 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -135.2 | 147.1 | 154.7 | -77.1 | -148.8 | 21.9 | 0 | 0 | 111.8 | ||||
| 603 | S | 39.2 | Very low | 39.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -80.5 | 148.3 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 604 | M | 34.1 | Very low | 40.5 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -132 | 146.5 | 172 | -87.8 | -71.1 | 162.8 | 0 | 0 | 111.1 | ||||
| 605 | V | 40.1 | Very low | 41.6 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 145.2 | -159.6 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 606 | P | 44.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147.6 | 173.3 | 25.9 | -36 | 0 | 0 | 0 | 112.5 | ||
| 607 | P | 49.3 | Very low | 42.5 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 155.3 | -177.8 | 29.4 | -35.9 | 0 | 0 | 0 | 112.8 | ||
| 608 | P | 43.3 | Very low | 43.6 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 150.8 | 179.7 | 28.9 | -35.5 | 0 | 0 | 0 | 112.6 | G610 | P608-G610 PolarHBondContact O-N 3.02Š|
| 609 | P | 39.6 | Very low | 43.6 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 128 | -178.7 | 29.6 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 610 | G | 48.3 | Very low | 44.7 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.5 | -23.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | P608 | P608-G610 PolarHBondContact O-N 3.02Š|
| 611 | V | 42.4 | Very low | 46 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 119.5 | -174.7 | -172.8 | 0 | 0 | 0 | 0 | 111 | ||
| 612 | Q | 44.9 | Very low | 46.9 | Very low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 147.7 | 167.2 | -72.5 | -168.5 | -16 | 0 | 0 | 110.9 | ||
| 613 | P | 50.2 | Low | 48.3 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152.3 | 170.7 | 30.1 | -35 | 0 | 0 | 0 | 111.1 | ||
| 614 | P | 51.4 | Low | 49.3 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142 | -176 | 27 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 615 | L | 52.2 | Low | 50.3 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 149.5 | 175 | -74.7 | 162.5 | 0 | 0 | 0 | 111.6 | ||
| 616 | P | 54.2 | Low | 51 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 151.1 | 172.4 | 29.8 | -35 | 0 | 0 | 0 | 111.5 | G618 | P616-G618 PolarHBondContact O-N 2.91Š|
| 617 | P | 47 | Very low | 51.3 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 131.7 | -175.9 | 26.6 | -34.6 | 0 | 0 | 0 | 112 | ||
| 618 | G | 55 | Low | 51 | Low | 83 Ų | 83 | 115.9 Ų | 115.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.8 | -8.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P616 | P616-G618 PolarHBondContact O-N 2.91Š|
| 619 | A | 50.7 | Low | 51.3 | Low | 63 Ų | 63 | 114.2 Ų | 114.2 | 52% | 0.521 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 138 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 620 | P | 53.2 | Low | 51.5 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 151.3 | 169.9 | 30.4 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 621 | P | 58.5 | Low | 51.1 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 148.9 | -178.3 | 28.7 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 622 | P | 57.6 | Low | 50.9 | Low | 105 Ų | 105 | 110.8 Ų | 110.8 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 153.6 | 173.6 | 30.1 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 623 | P | 58 | Low | 50.6 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 149.1 | 176.4 | 28.4 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 624 | P | 62 | Low | 50.1 | Low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149 | -179.2 | 28.5 | -35.3 | 0 | 0 | 0 | 112 | ||
| 625 | P | 54.8 | Low | 49.7 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 151.1 | 173.2 | 29.8 | -35 | 0 | 0 | 0 | 111.2 | ||
| 626 | P | 53.8 | Low | 49.1 | Very low | 114 Ų | 114 | 116 Ų | 116 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 149.6 | 175.8 | 28.8 | -35.1 | 0 | 0 | 0 | 111.4 | ||
| 627 | P | 51.1 | Low | 48.9 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140.3 | -178.5 | 27.8 | -35 | 0 | 0 | 0 | 111.8 | G629 | P627-G629 PolarHBondContact O-N 3.4Š|
| 628 | P | 42.8 | Very low | 49.1 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 120.4 | 174.2 | 29.9 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 629 | G | 49.9 | Very low | 48.9 | Very low | 77 Ų | 77 | 117.1 Ų | 117.1 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140 | 3.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | P627 | P627-G629 PolarHBondContact O-N 3.4Š|
| 630 | S | 43.5 | Very low | 49.2 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -112.9 | 36.8 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | G632 | S630-G632 PolarHBondContact O-N 2.87Š| ||
| 631 | T | 40.1 | Very low | 49.3 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.5 | 161.2 | -37 | 0 | 0 | 0 | 0 | 108.7 | ||
| 632 | G | 38.2 | Very low | 49.4 | Very low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 158.4 | -164 | 0 | 0 | 0 | 0 | 0 | 116.3 | S630 M634 | S630-G632 PolarHBondContact O-N 2.87Å; G632-M634 PolarHBondContact O-N 3.45Å |
| 633 | M | 39.3 | Very low | 49.1 | Very low | 180 Ų | 180 | 120.7 Ų | 120.7 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 119 | 172 | -74.8 | -69.5 | -167.2 | 0 | 0 | 111.2 | Y635 | M633-Y635 PolarHBondContact O-N 3.27Å; M633-Y635 VanDerWaalsContact O-N 3.17Å |
| 634 | M | 38.3 | Very low | 48.5 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -83.2 | 93.5 | -178.7 | -54.7 | -176.9 | -154.4 | 0 | 0 | 109.5 | G632 A636 | G632-M634 PolarHBondContact O-N 3.45Å; M634-A636 PolarHBondContact O-N 3.21Å; M634-A636 VanDerWaalsContact O-N 3.13Å | ||
| 635 | Y | 42.8 | Very low | 47.7 | Very low | 219 Ų | 219 | 123.7 Ų | 123.7 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -63 | 112.7 | 164.1 | -93.2 | -90.8 | 0 | 0 | 0 | 108.7 | M633 | M633-Y635 PolarHBondContact O-N 3.27Å; M633-Y635 VanDerWaalsContact O-N 3.17Å | ||
| 636 | A | 41.2 | Very low | 47.3 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | M634 | M634-A636 PolarHBondContact O-N 3.21Å; M634-A636 VanDerWaalsContact O-N 3.13Å |
| 637 | P | 48.6 | Very low | 47 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.2 | 172.3 | 29 | -34 | 0 | 0 | 0 | 109.9 | ||
| 638 | P | 51 | Low | 46.8 | Very low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 152.9 | 171.5 | 28.7 | -34.7 | 0 | 0 | 0 | 110.6 | ||
| 639 | P | 51.5 | Low | 46.5 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.5 | 176.7 | 27.8 | -35 | 0 | 0 | 0 | 111.3 | ||
| 640 | P | 58.1 | Low | 46.3 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 149.1 | 178 | 29 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 641 | P | 55.2 | Low | 46.5 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 155 | 172.5 | 29.8 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 642 | P | 58.8 | Low | 46.4 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 155.1 | 175.2 | 28.9 | -35.4 | 0 | 0 | 0 | 111.7 | M644 | P642-M644 PolarHBondContact O-N 3.33Š|
| 643 | P | 51.9 | Low | 46.5 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 134.4 | 178 | 27.7 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 644 | M | 45.8 | Very low | 46.5 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 138.3 | 174.6 | -71 | -83.6 | -83 | 0 | 0 | 110.5 | P642 | P642-M644 PolarHBondContact O-N 3.33Š|
| 645 | D | 44.3 | Very low | 46.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 138 | 177.9 | -171 | -71.5 | 0 | 0 | 0 | 111.4 | S647 | D645-S647 PolarHBondContact O-N 3.11Å; D645-S647 WeakPolarHBondContact OD1-CB 3.4Å; D645-S647 PolarHBondContact OD1-N 2.81Å; D645-S647 PolarHBondContact OD1-OG 3.11Å |
| 646 | P | 47.8 | Very low | 46.3 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -71.3 | -5.9 | -176.8 | 29.6 | -36.8 | 0 | 0 | 0 | 115.2 | N648 | P646-N648 PolarHBondContact O-N 3.08Š|
| 647 | S | 47 | Very low | 46.2 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -72.7 | 7.1 | -168.7 | -54.6 | 0 | 0 | 0 | 0 | 116.3 | D645 | D645-S647 PolarHBondContact O-N 3.11Å; D645-S647 WeakPolarHBondContact OD1-CB 3.4Å; D645-S647 PolarHBondContact OD1-N 2.81Å; D645-S647 PolarHBondContact OD1-OG 3.11Å |
| 648 | N | 45.7 | Very low | 46.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -115.1 | 21.6 | -166.1 | -134.8 | -21.4 | 0 | 0 | 0 | 115.4 | P646 | P646-N648 PolarHBondContact O-N 3.08Š|
| 649 | F | 37.8 | Very low | 45.4 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -97 | 20.1 | 178.6 | -145.1 | -96.1 | 0 | 0 | 0 | 114.5 | ||||
| 650 | V | 44.9 | Very low | 44.9 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -132.2 | 76.8 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 651 | T | 47.6 | Very low | 44.6 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -172.6 | 91.1 | 148.1 | -73.8 | 0 | 0 | 0 | 0 | 109 | ||
| 652 | M | 38.2 | Very low | 44.3 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 96% | 0.956 | 81% | 0.805 | S | S | * | * | trans | -179.8 | 47.9 | 150.4 | -102.5 | -177.7 | -169.8 | 0 | 0 | 112.6 | ||||
| 653 | M | 40.7 | Very low | 43.6 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 100% | 0.995 | 81% | 0.812 | S | S | * | * | trans | -122.1 | 120.6 | 158.7 | -78.1 | -163.3 | -177.8 | 0 | 0 | 109.1 | ||||
| 654 | G | 39.4 | Very low | 43.3 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 159 | 132.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 655 | M | 42.3 | Very low | 43.7 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | 65.8 | 132.9 | -163.3 | -40.8 | -68.1 | 179.3 | 0 | 0 | 111.9 | ||||
| 656 | G | 35.3 | Very low | 44.3 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | cis | 110.8 | 130.9 | 13 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 657 | V | 39.2 | Very low | 44.8 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | cis | -139.7 | -146 | 8.2 | -154.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 658 | P | 46.8 | Very low | 45.4 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | -119.8 | 160.6 | -127.1 | 42 | -26.1 | 0 | 0 | 0 | 119.2 | |||||
| 659 | G | 35.8 | Very low | 46.3 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | 107.2 | 109.8 | 126.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 660 | M | 40 | Very low | 47.8 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 156.1 | 136.1 | -101.9 | -167.9 | 101.6 | 0 | 0 | 109.9 | ||||
| 661 | P | 51.5 | Low | 48.9 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 60% | 0.597 | 80% | 0.804 | S | S | * | * | trans | -82 | 156.9 | -175.3 | 33.4 | -35.9 | 0 | 0 | 0 | 113.6 | ||||
| 662 | P | 48.5 | Very low | 49.9 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 127.9 | 177.4 | 30.1 | -34.1 | 0 | 0 | 0 | 111.9 | G664 | P662-G664 PolarHBondContact O-N 3.11Š| ||
| 663 | F | 45.7 | Very low | 51.2 | Low | 194 Ų | 194 | 124.6 Ų | 124.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 115.7 | 167.8 | -83 | -94.6 | 0 | 0 | 0 | 110 | ||||
| 664 | G | 45.1 | Very low | 51.9 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 144 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P662 | P662-G664 PolarHBondContact O-N 3.11Š|
| 665 | M | 53.8 | Low | 52.7 | Low | 182 Ų | 182 | 127.3 Ų | 127.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.7 | 174.6 | -63.2 | 178.4 | 70.8 | 0 | 0 | 110.5 | ||
| 666 | P | 58.3 | Low | 53.1 | Low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143.9 | 176.9 | 29.1 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 667 | P | 57.9 | Low | 54 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.1 | 175.2 | 30 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 668 | A | 59.2 | Low | 54.8 | Low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 669 | P | 65.1 | Low | 55.2 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 147.6 | 177.8 | 28.9 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 670 | P | 67.6 | Low | 56.4 | Low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 154.9 | 177.8 | 30 | -35.6 | 0 | 0 | 0 | 112.1 | ||
| 671 | P | 68.4 | Low | 57.4 | Low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 152.3 | 175.9 | 29.1 | -35.6 | 0 | 0 | 0 | 111.8 | ||
| 672 | P | 68.8 | Low | 57.8 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 146.9 | 176.6 | 28.4 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 673 | P | 65.9 | Low | 58.5 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 154 | 175.4 | 29.4 | -35.3 | 0 | 0 | 0 | 111.3 | Q675 | P673-Q675 PolarHBondContact O-N 3.5Š|
| 674 | P | 56.3 | Low | 59.4 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.5 | 179.2 | 26.4 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 675 | Q | 55.8 | Low | 60.6 | Low | 199 Ų | 199 | 137.9 Ų | 137.9 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.6 | 163.6 | -73.8 | -176.7 | -32.9 | 0 | 0 | 109.8 | P673 | P673-Q675 PolarHBondContact O-N 3.5Š|
| 676 | N | 50.5 | Low | 61.3 | Low | 237 Ų | 237 | 133.9 Ų | 133.9 | 100% | 1.267 | 83% | 0.827 | S | S | * | * | trans | -127.3 | 0 | -173.2 | -179.2 | 66 | 0 | 0 | 0 | 108.8 |
Retrieved 676 of 676 residues in 628 ms
(Link to these results)