| 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 | 36.5 | Very low | 34.4 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 100% | 1.222 | 85% | 0.851 | S | S | * | * | 0 | 132.8 | 0 | -84.9 | 175.6 | 170 | 0 | 0 | 108.1 | |||||
| 2 | A | 35.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -7.6 | 153.8 | 168 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | A | 32.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 67% | 0.669 | 85% | 0.847 | S | S | * | * | cis | 175.4 | 150.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | R | 33.8 | Very low | 34 | Very low | 251 Ų | 251 | 135.8 Ų | 135.8 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | trans | 55.8 | 144.1 | 144.3 | -70.3 | 179.2 | 163.5 | -170.9 | -5.2 | 119.8 | ||||
| 5 | G | 31.3 | Very low | 33.8 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | cis | -166.6 | 161.9 | 5.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 6 | G | 30.4 | Very low | 33.6 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 85% | 0.851 | S | S | * | * | cis | 101.7 | 90.2 | 40.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | F | 29.7 | Very low | 33.5 | Very low | 213 Ų | 213 | 127 Ų | 127 | 93% | 0.934 | 85% | 0.852 | S | S | * | * | trans | -130.3 | 108.7 | 164 | -104 | -84.5 | 0 | 0 | 0 | 109.4 | ||||
| 8 | Q | 30.6 | Very low | 33.7 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -112.4 | 140.8 | 157.9 | -92.4 | -179.8 | -11.2 | 0 | 0 | 106.7 | ||||
| 9 | S | 31.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 85% | 0.853 | S | S | * | * | trans | -142.6 | 124.4 | 156.2 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | T | 29.3 | Very low | 33.8 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 80% | 0.798 | 85% | 0.846 | S | S | * | * | trans | -143.2 | 177.6 | 161.4 | 55.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 11 | P | 57.4 | Low | 34.4 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 68% | 0.675 | 85% | 0.849 | S | S | * | * | -133.3 | -168.8 | -52.5 | 34.9 | -16.6 | 0 | 0 | 0 | 110.3 | |||||
| 12 | T | 32.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 118 Ų | 118 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | 150.1 | 112.6 | 138.2 | 44 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | A | 34.6 | Very low | 34.9 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | 79.5 | 135.3 | 88.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 14 | G | 30.9 | Very low | 35.6 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | cis | 170.7 | 174.8 | 5.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | G | 30.4 | Very low | 35.8 | Very low | 87 Ų | 87 | 115.2 Ų | 115.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | 115 | 114.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | G | 31.5 | Very low | 36.6 | Very low | 86 Ų | 86 | 117.3 Ų | 117.3 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | cis | 130.1 | 114.8 | 16.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 17 | G | 31.9 | Very low | 36.7 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 172.5 | 100.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | A | 35.8 | Very low | 36.8 | Very low | 90 Ų | 90 | 112.5 Ų | 112.5 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -102.4 | 176.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | M | 35.3 | Very low | 37 | Very low | 197 Ų | 197 | 107.9 Ų | 107.9 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | 82.5 | 129.9 | 164.1 | -51.2 | -172 | 177.2 | 0 | 0 | 115.2 | ||||
| 20 | G | 34.7 | Very low | 38.1 | Very low | 69 Ų | 69 | 108.8 Ų | 108.8 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | 177.4 | 168.7 | 6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 21 | P | 45.9 | Very low | 38.2 | Very low | 142 Ų | 142 | 106.4 Ų | 106.4 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | trans | -88.9 | 145 | -171.1 | 34.6 | -30.6 | 0 | 0 | 0 | 111.9 | ||||
| 22 | G | 34.2 | Very low | 37 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | trans | -152.9 | 170 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | P | 49.2 | Very low | 37 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | -109.3 | 170.3 | -93.2 | 36.3 | -33.5 | 0 | 0 | 0 | 113.3 | |||||
| 24 | P | 46.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 109.7 Ų | 109.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -87.7 | 153.6 | 173.8 | 35.9 | -30.5 | 0 | 0 | 0 | 111.4 | ||||
| 25 | V | 39.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 109.6 Ų | 109.6 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | -135.7 | 158.6 | 173 | -129.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 26 | P | 48.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | -104.9 | 159 | -120.1 | 11.7 | 14.2 | 0 | 0 | 0 | 110.9 | |||||
| 27 | G | 31.8 | Very low | 38.6 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | 91.7 | 90 | 70.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 28 | A | 31.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -147 | 119.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 29 | A | 35.8 | Very low | 38.5 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -143.2 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 30 | P | 53.4 | Low | 38.4 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | -126.6 | 177.2 | -61.3 | 34.5 | -19 | 0 | 0 | 0 | 110.8 | |||||
| 31 | G | 31 | Very low | 38.3 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -159.6 | 105 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 32 | M | 33.4 | Very low | 37.7 | Very low | 199 Ų | 199 | 115.9 Ų | 115.9 | 98% | 0.98 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 148.6 | 175.2 | -78.6 | 163.6 | 144.2 | 0 | 0 | 112.4 | ||||
| 33 | G | 30.8 | Very low | 38.5 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 100.8 | 165.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 34 | P | 50.8 | Low | 37.6 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | -127.6 | 171.6 | -106.9 | 37.3 | -23.6 | 0 | 0 | 0 | 114.6 | |||||
| 35 | G | 29.8 | Very low | 37 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 167.3 | 101.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 36 | T | 32.2 | Very low | 36.5 | Very low | 137 Ų | 137 | 115.5 Ų | 115.5 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -77.8 | -178.5 | 148.6 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 37 | P | 49.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | -144.2 | -172.8 | 8.6 | 36.8 | -13.6 | 0 | 0 | 0 | 116.8 | ||||
| 38 | S | 33.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 99 | 129.4 | 154.4 | -42.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 39 | G | 31.8 | Very low | 35.7 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | 163.8 | 163.6 | -1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | R | 32.9 | Very low | 35.4 | Very low | 228 Ų | 228 | 126.2 Ų | 126.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 83.7 | 131.9 | 154.1 | -143.3 | 167.8 | -163.5 | -170.6 | 1.1 | 116.1 | ||||
| 41 | M | 33 | Very low | 34.4 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | cis | -163.9 | 130.2 | 12.7 | -118.1 | 156.9 | 173.8 | 0 | 0 | 104.8 | ||||
| 42 | G | 32.4 | Very low | 34.4 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | 72.8 | 152.8 | 76.6 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 43 | P | 51.6 | Low | 34.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | cis | -127.9 | 177 | -33.8 | 29.3 | -5.8 | 0 | 0 | 0 | 111.6 | ||||
| 44 | T | 30.5 | Very low | 34.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | 178.8 | 138 | 79.6 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 45 | S | 33.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 40.2 | 137.2 | 143.6 | 58.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 46 | G | 30.1 | Very low | 33.6 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | cis | 178.9 | 165.3 | 13.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | A | 30.9 | Very low | 34.2 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -57.2 | 166.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 48 | Q | 31.6 | Very low | 33.2 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | cis | -178.2 | 159.7 | 49 | -147.4 | 165.3 | 7.6 | 0 | 0 | 111.5 | ||||
| 49 | N | 31.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -49 | 143.9 | 172.9 | -89.1 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 50 | H | 30.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -113.2 | 114.7 | 161.6 | -95.7 | -59.2 | 0 | 0 | 0 | 112 | ||||
| 51 | M | 31.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -89.2 | 140.4 | 160.1 | -83.6 | -173.4 | 166.6 | 0 | 0 | 110.2 | ||||
| 52 | Y | 30.9 | Very low | 33.6 | Very low | 247 Ų | 247 | 142 Ų | 142 | 97% | 0.969 | 83% | 0.825 | S | S | * | * | trans | -74.9 | 130.7 | 172.1 | -100.2 | -99.6 | 0 | 0 | 0 | 111.5 | ||||
| 53 | R | 29.2 | Very low | 33.5 | Very low | 247 Ų | 247 | 150.3 Ų | 150.3 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | -142 | 129.9 | 161.8 | -162.2 | 177.7 | -165.8 | -171.2 | 3.3 | 110.3 | ||||
| 54 | S | 30.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -66.2 | 152.9 | 178.9 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 55 | P | 39.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | trans | -102.3 | 146.8 | 174.6 | 36 | -27.7 | 0 | 0 | 0 | 113.5 | ||||
| 56 | M | 30.4 | Very low | 32.8 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | -127.4 | 161.2 | 160.7 | -91.8 | -65.5 | -148.4 | 0 | 0 | 108.5 | ||||
| 57 | P | 42.9 | Very low | 33.5 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -100.6 | 159.6 | -141.8 | 38.3 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 58 | G | 28.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | trans | -154.5 | 165.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 59 | P | 36.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | -101 | 155.5 | -126.1 | 36.4 | -35.3 | 0 | 0 | 0 | 115.1 | |||||
| 60 | G | 30.6 | Very low | 33.8 | Very low | 65 Ų | 65 | 148.3 Ų | 148.3 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | trans | -92.2 | 161.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 61 | Y | 33.3 | Very low | 33.8 | Very low | 234 Ų | 234 | 149.6 Ų | 149.6 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | trans | -148.5 | 155.6 | 151.1 | -89.8 | -79.8 | 0 | 0 | 0 | 110.4 | ||||
| 62 | P | 40.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -113.7 | 170.9 | -148.5 | 41.4 | -33.6 | 0 | 0 | 0 | 115.6 | ||||
| 63 | R | 29.2 | Very low | 33.8 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -132.6 | 158.2 | 160.6 | -103.9 | -149.9 | 168 | -148.6 | -0.4 | 111.2 | ||||
| 64 | P | 36.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -116.7 | 160.2 | -142 | 21.9 | 0.1 | 0 | 0 | 0 | 115.2 | ||||
| 65 | G | 30.1 | Very low | 34.7 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -179.2 | 103.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 66 | M | 33.9 | Very low | 34.1 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 179.6 | 177.5 | -114 | 149.6 | 111.7 | 0 | 0 | 112.8 | ||||
| 67 | P | 44.4 | Very low | 35.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -136 | 179.1 | 5.9 | 30.5 | -6.3 | 0 | 0 | 0 | 117.2 | ||||
| 68 | P | 39.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -111.6 | 170.3 | -172.1 | 39.8 | -27.9 | 0 | 0 | 0 | 114.6 | ||||
| 69 | S | 29.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -140.7 | 117.7 | 158.8 | -83.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | S | 32.4 | Very low | 34.5 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 53.2 | 134.6 | 131.1 | -49.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 71 | R | 29.8 | Very low | 35.1 | Very low | 217 Ų | 217 | 138.9 Ų | 138.9 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | cis | -173.6 | 138.9 | 4.9 | -136 | -174.4 | 178.6 | 172.3 | -0.2 | 108.3 | ||||
| 72 | M | 32.3 | Very low | 35.8 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | 60.2 | 104.3 | 135.9 | -73.2 | 172.4 | 141.2 | 0 | 0 | 124.3 | ||||
| 73 | T | 30.4 | Very low | 35.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 38.8 | 166.7 | 108.6 | 58.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 74 | P | 46.7 | Very low | 35.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | cis | -145.8 | -171.1 | -45.6 | 41.5 | -22.2 | 0 | 0 | 0 | 114.8 | ||||
| 75 | Q | 31.6 | Very low | 34.9 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | 114.3 | 131.7 | 139.4 | -141.7 | 163.8 | 18.1 | 0 | 0 | 119.8 | ||||
| 76 | G | 28.1 | Very low | 34.8 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -97.3 | -142.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 77 | P | 55.7 | Low | 34.6 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | -118.9 | 168.6 | -103.9 | 39.3 | -29.7 | 0 | 0 | 0 | 115.5 | |||||
| 78 | A | 29.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -166.3 | 144.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 79 | M | 32.9 | Very low | 34.4 | Very low | 190 Ų | 190 | 129 Ų | 129 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -17.2 | 151.6 | 163.3 | -64.9 | -85.6 | -145.1 | 0 | 0 | 122.3 | ||||
| 80 | G | 27 | Very low | 34.4 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -84.3 | -153.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 81 | P | 44.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -133.2 | -144.5 | -4.7 | 38.8 | -15.5 | 0 | 0 | 0 | 112.7 | ||||
| 82 | P | 47.2 | Very low | 34.9 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -121.7 | 173.5 | -62.7 | 31.3 | -11.6 | 0 | 0 | 0 | 114.7 | |||||
| 83 | G | 28.6 | Very low | 34.7 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -175.3 | 135.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 84 | Y | 29.6 | Very low | 34.8 | Very low | 251 Ų | 251 | 130 Ų | 130 | 98% | 0.984 | 82% | 0.819 | S | S | * | * | trans | -67.7 | 160 | -172.9 | -100.4 | -114.8 | 0 | 0 | 0 | 117.7 | ||||
| 85 | G | 28.6 | Very low | 34.8 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 135.8 | 111.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 86 | S | 28.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 60.4 | 125 | 138.8 | -72.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 87 | S | 30 | Very low | 35 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -63.3 | -174.9 | 148.9 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 88 | P | 46.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | cis | -152 | -168.6 | 13.7 | 31.7 | -2.6 | 0 | 0 | 0 | 117.7 | ||||
| 89 | V | 31.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | trans | 72.1 | 123.9 | 154.5 | -148.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 90 | S | 30.6 | Very low | 34.6 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | -174.5 | 143.4 | 74.6 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 91 | R | 28.6 | Very low | 34.8 | Very low | 238 Ų | 238 | 129 Ų | 129 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -50.3 | -169.5 | 167 | -105.2 | -179.5 | 169.5 | -166.9 | -1.5 | 116.6 | ||||
| 92 | P | 43.8 | Very low | 34.2 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | -141.1 | 174.2 | -24.6 | 31.8 | -11 | 0 | 0 | 0 | 115.4 | ||||
| 93 | G | 28.2 | Very low | 33.4 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 174.2 | 106.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 94 | M | 33.9 | Very low | 33.5 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -120.4 | 178.6 | 169.8 | -95.4 | -74.3 | -123.2 | 0 | 0 | 107.1 | ||||
| 95 | P | 46.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -145 | -179 | 19.1 | 35.5 | -11.9 | 0 | 0 | 0 | 116.8 | ||||
| 96 | G | 31.3 | Very low | 33.6 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 170.8 | 54.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 97 | V | 33.3 | Very low | 33.9 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 42.5 | 118.2 | 132.4 | -162.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 98 | M | 35.5 | Very low | 34.2 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | 174.1 | 137.5 | 114.1 | -87.9 | -169.3 | -151.6 | 0 | 0 | 112.2 | |||||
| 99 | D | 30.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -99.5 | -162.8 | -173.5 | -155.2 | 3.4 | 0 | 0 | 0 | 110.3 | ||||
| 100 | P | 43.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 60% | 0.604 | 81% | 0.813 | S | S | * | * | cis | -124 | 162.7 | -49.3 | 10.5 | 12.9 | 0 | 0 | 0 | 115.1 | ||||
| 101 | S | 30.6 | Very low | 35 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 69.2 | 111.3 | 136.8 | -64.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 102 | R | 32.3 | Very low | 35.5 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | 168.1 | 120.7 | 102.7 | -97.8 | -177.3 | 175.1 | 179.1 | 0.6 | 115 | |||||
| 103 | K | 30.5 | Very low | 35.4 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | 68.6 | 113.1 | 134.8 | -67.7 | -176.3 | 177.5 | -177.4 | 0 | 123.3 | ||||
| 104 | R | 30.3 | Very low | 35.9 | Very low | 238 Ų | 238 | 156.1 Ų | 156.1 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | 86.5 | 126.6 | 139 | -74.5 | -173.9 | 176 | -164 | -0.9 | 121.1 | ||||
| 105 | P | 30 | Very low | 36.2 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | trans | -120.4 | 167.5 | 135.1 | 17.1 | 3.8 | 0 | 0 | 0 | 113.6 | ||||
| 106 | A | 31.1 | Very low | 35.9 | Very low | 90 Ų | 90 | 159 Ų | 159 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -68.9 | 162.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 107 | P | 33.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 165 Ų | 165 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -89.9 | 107.8 | 173.9 | 33.1 | -27.8 | 0 | 0 | 0 | 111.6 | ||||
| 108 | Q | 37.1 | Very low | 36.3 | Very low | 181 Ų | 181 | 166 Ų | 166 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | -145.3 | 113.3 | 156.1 | -75.7 | -171.4 | -11.4 | 0 | 0 | 108.2 | ||||
| 109 | Q | 44.7 | Very low | 36.4 | Very low | 190 Ų | 190 | 166.1 Ų | 166.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | 153.3 | 75.1 | 150.6 | -87.6 | 174.1 | 9.6 | 0 | 0 | 111.1 | ||||
| 110 | I | 41.3 | Very low | 36.6 | Very low | 174 Ų | 174 | 167.1 Ų | 167.1 | 89% | 0.892 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -148.2 | 72.9 | 148.9 | -51.6 | 179.4 | 0 | 0 | 0 | 108 | ||
| 111 | Q | 37.7 | Very low | 36.4 | Very low | 190 Ų | 190 | 171 Ų | 171 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -160.6 | 44.7 | 160.7 | -143.7 | 156.7 | 23.9 | 0 | 0 | 114.6 | ||
| 112 | Q | 40.2 | Very low | 36.9 | Very low | 180 Ų | 180 | 173 Ų | 173 | 84% | 0.841 | 84% | 0.839 | S | S | * | * | trans | -130.6 | 12.5 | 177.7 | -84.6 | -170.4 | -1.1 | 0 | 0 | 116.7 | ||||
| 113 | V | 41.2 | Very low | 37.5 | Very low | 149 Ų | 149 | 167.4 Ų | 167.4 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -104.4 | 13.3 | -177.5 | -148.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 114 | Q | 39.8 | Very low | 38.5 | Very low | 193 Ų | 193 | 168.4 Ų | 168.4 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -128.1 | 32.3 | -177.9 | -147.6 | 165.1 | 18.9 | 0 | 0 | 115.6 | ||
| 115 | Q | 40.4 | Very low | 39.6 | Very low | 185 Ų | 185 | 166.3 Ų | 166.3 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -128.6 | 6.8 | 171.5 | -96.1 | -179.8 | 12 | 0 | 0 | 115.2 | ||
| 116 | Q | 38.8 | Very low | 41.2 | Very low | 175 Ų | 175 | 164.7 Ų | 164.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.3 | 7.5 | -170.9 | -143.7 | 151.5 | 12.3 | 0 | 0 | 115.4 | ||
| 117 | Q | 37.5 | Very low | 43 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -110.9 | 8.4 | -179.8 | -141.1 | 168.7 | 24.3 | 0 | 0 | 115 | ||
| 118 | N | 36.3 | Very low | 44.4 | Very low | 148 Ų | 148 | 166.7 Ų | 166.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -118.6 | 16.1 | 178.9 | -133.4 | 8 | 0 | 0 | 0 | 114.4 | ||
| 119 | R | 37.5 | Very low | 45.9 | Very low | 191 Ų | 191 | 161.2 Ų | 161.2 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -99.3 | 6.8 | -173.3 | -151.9 | 173.6 | 159.1 | 176.1 | -6.8 | 114.6 | ||||
| 120 | N | 34.1 | Very low | 47.2 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 91% | 0.914 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.2 | 3.6 | 177.4 | -92.9 | 17.9 | 0 | 0 | 0 | 115 | H122 | N120-H122 VanDerWaalsContact C-N 3.34Š|
| 121 | Q | 39.9 | Very low | 49 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -97.9 | 59.2 | 159.4 | -74.6 | -173.4 | 14.2 | 0 | 0 | 110 | T123 | Q121-T123 PolarHBondContact O-N 3.38Š| ||
| 122 | H | 39.6 | Very low | 51.2 | Low | 152 Ų | 152 | 143.3 Ų | 143.3 | 70% | 0.704 | 70% | 0.695 | S | S | * | * | trans | -69.1 | 94.9 | 155.8 | -107.3 | -60.6 | 0 | 0 | 0 | 106.9 | N120 K124 | N120-H122 VanDerWaalsContact C-N 3.34Å; H122-K124 PolarHBondContact O-N 3.1Å; H122-K124 VanDerWaalsContact O-N 3.16Å | ||
| 123 | T | 44.8 | Very low | 53.3 | Low | 105 Ų | 105 | 135.5 Ų | 135.5 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | trans | -24.6 | 116.4 | 154.8 | 40.5 | 0 | 0 | 0 | 0 | 110 | Q121 K125 | Q121-T123 PolarHBondContact O-N 3.38Å; T123-K125 PolarHBondContact O-N 3.07Å | ||
| 124 | K | 52.3 | Low | 55.4 | Low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.857 | 63% | 0.628 | S | S | * | * | trans | -45.7 | 123.4 | 165.6 | -73.4 | 177.1 | 179.2 | 172.5 | 0 | 106.1 | H122 K126 | H122-K124 PolarHBondContact O-N 3.1Å; H122-K124 VanDerWaalsContact O-N 3.16Å; K124-K126 PolarHBondContact O-N 3.36Å | ||
| 125 | K | 54.3 | Low | 57.4 | Low | 194 Ų | 194 | 126.8 Ų | 126.8 | 84% | 0.843 | 61% | 0.612 | S | S | * | * | trans | -49.4 | 111.6 | 177.8 | -78.4 | -177.5 | 176.5 | 177.7 | 0 | 107.6 | T123 K127 | T123-K125 PolarHBondContact O-N 3.07Å; K125-K127 PolarHBondContact O-N 3.33Å | ||
| 126 | K | 63 | Low | 59.3 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 44% | 0.435 | 60% | 0.598 | S | S | . | * | trans | -57.7 | 125.8 | -175.4 | -63.7 | 170.6 | -176.3 | 166.8 | 0 | 108.5 | K124 N422 | K124-K126 PolarHBondContact O-N 3.36Å; K126-N422 VanDerWaalsContact CE-OD1 3.31Å; K126-N422 WeakPolarHBondContact CE-OD1 3.41Å; K126-N422 PolarHBondContact NZ-OD1 3.38Å | ||
| 127 | K | 67.8 | Low | 61.3 | Low | 147 Ų | 147 | 117.9 Ų | 117.9 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | trans | -94.7 | 148.4 | -174.1 | -64.3 | -179.4 | -180 | 176.5 | 0 | 109 | K125 A129 D130 | K125-K127 PolarHBondContact O-N 3.33Å; K127-A129 PolarHBondContact O-N 2.98Å; K127-A129 VanDerWaalsContact O-N 3.09Å; K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.45Å; K127-D130 PolarHBondContact O-N 3.4Å | ||
| 128 | M | 63.8 | Low | 63.4 | Low | 110 Ų | 110 | 112.5 Ų | 112.5 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -49.8 | -34.1 | 170.3 | -102.6 | -96.1 | 173 | 0 | 0 | 112.9 | D130 K131 R155 | M128-D130 PolarHBondContact O-N 3.46Å; M128-K131 PolarHBondContact O-N 3.01Å; M128-R155 HydrophobicContact CE-CG 3.4Å |
| 129 | A | 68 | Low | 65.5 | Low | 66 Ų | 66 | 112.2 Ų | 112.2 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -61.4 | -27.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K127 K131 I132 | K127-A129 PolarHBondContact O-N 2.98Å; K127-A129 VanDerWaalsContact O-N 3.09Å; A129-K131 PolarHBondContact O-N 2.98Å; A129-I132 PolarHBondContact O-N 3.48Å |
| 130 | D | 72.7 | Confident | 67.5 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -78.2 | -12.5 | -177.5 | -49.3 | -29.6 | 0 | 0 | 0 | 111.8 | K127 M128 | K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.45Å; K127-D130 PolarHBondContact O-N 3.4Å; M128-D130 PolarHBondContact O-N 3.46Å |
| 131 | K | 78.7 | Confident | 70 | Confident | 30 Ų | 30 | 102.1 Ų | 102.1 | 13% | 0.13 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -94.2 | -6.2 | 172.6 | -61.5 | -166.5 | -177.6 | -163.4 | 0 | 113.3 | M128 A129 Y147 L151 E154 D421 I428 | M128-K131 PolarHBondContact O-N 3.01Å; A129-K131 PolarHBondContact O-N 2.98Å; K131-Y147 WeakPolarHBondContact O-CE1 3.24Å; K131-Y147 PolarHBondContact O-OH 3.23Å; K131-L151 HydrophobicContact CB-CD2 4.36Å; K131-L151 HydrophobicContact CD-CD2 4.42Å; K131-L151 WeakPolarHBondContact O-CD1 3.44Å; K131-E154 IonicContact NZ-OE1 3.19Å; K131-D421 IonicContact NZ-OD1 2.64Å; K131-D421 PolarHBondContact NZ-OD1 3.26Å; K131-D421 IonicContact NZ-OD2 2.89Å; K131-D421 PolarHBondContact NZ-OD2 3.17Å; K131-I428 WeakPolarHBondContact O-CD1 3.47Å |
| 132 | I | 84.4 | Confident | 72 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -96.9 | 132.5 | -173 | -63 | 170.4 | 0 | 0 | 0 | 110.8 | A129 M148 | A129-I132 PolarHBondContact O-N 3.48Å; I132-M148 HydrophobicContact CG2-CE 3.97Å; I132-M148 HydrophobicContact CG2-SD 4.19Å |
| 133 | L | 84.9 | Confident | 74.4 | Confident | 15 Ų | 15 | 97.8 Ų | 97.8 | 8% | 0.079 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 135.2 | 174.2 | -65.8 | 175.8 | 0 | 0 | 0 | 111.7 | R138 Y147 I428 I431 | L133-R138 HydrophobicContact CB-CG 4.07Å; L133-R138 PolarHBondContact O-NE 3.17Å; L133-Y147 HydrophobicContact CD1-CD1 3.64Å; L133-Y147 HydrophobicContact CD1-CE1 4.25Å; L133-Y147 HydrophobicContact CD1-CG 4.4Å; L133-Y147 HydrophobicContact CG-CD1 3.87Å; L133-Y147 HydrophobicContact CG-CE1 3.98Å; L133-I428 HydrophobicContact CD2-CG1 4.14Å; L133-I431 HydrophobicContact CD2-CD1 4.2Å; L133-I431 HydrophobicContact CD2-CG2 4.44Å |
| 134 | P | 84.3 | Confident | 76.5 | Confident | 40 Ų | 40 | 93.2 Ų | 93.2 | 26% | 0.26 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -58 | 145 | 175.8 | -20.3 | 28.6 | 0 | 0 | 0 | 112.2 | R136 I137 R138 N432 | P134-R136 VanDerWaalsContact C-N 3.29Å; P134-R136 PolarHBondContact O-N 2.99Å; P134-I137 WeakPolarHBondContact O-CB 3.39Å; P134-I137 PolarHBondContact O-N 3.31Å; P134-R138 PolarHBondContact O-N 3.45Å; P134-R138 VanDerWaalsContact O-N 3.11Å; P134-N432 WeakPolarHBondContact CD-OD1 3.26Å; P134-N432 WeakPolarHBondContact CG-OD1 3.44Å |
| 135 | Q | 82.3 | Confident | 78.2 | Confident | 119 Ų | 119 | 88.2 Ų | 88.2 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57 | -39.4 | -176.2 | -171.5 | 168.7 | -16.6 | 0 | 0 | 113.8 | I137 R138 E139 | Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 3.24Å; Q135-R138 WeakPolarHBondContact O-CA 3.46Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 3.32Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.88Å; Q135-E139 PolarHBondContact O-N 3.33Å |
| 136 | R | 79.9 | Confident | 80 | Confident | 152 Ų | 152 | 81.7 Ų | 81.7 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.6 | -30.8 | 176.9 | -66.2 | -172.7 | -178.1 | -174.5 | -1.2 | 113.4 | P134 L140 E439 | P134-R136 VanDerWaalsContact C-N 3.29Å; P134-R136 PolarHBondContact O-N 2.99Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.08Å; R136-E439 WeakPolarHBondContact CD-OE1 3.18Å; R136-E439 IonicContact CZ-OE1 3Å; R136-E439 IonicContact NE-OE1 3.78Å; R136-E439 IonicContact NH1-OE1 2.76Å; R136-E439 PolarHBondContact NH1-OE1 2.88Å; R136-E439 IonicContact NH1-OE2 3.73Å |
| 137 | I | 82.3 | Confident | 81.3 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.5 | -36.5 | 171.7 | -71.8 | -61.3 | 0 | 0 | 0 | 110.3 | P134 Q135 E139 L140 V141 I431 K435 | P134-I137 WeakPolarHBondContact O-CB 3.39Å; P134-I137 PolarHBondContact O-N 3.31Å; Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 3.24Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.06Å; I137-L140 HydrophobicContact CD1-CD1 4.45Å; I137-L140 PolarHBondContact O-N 3.09Å; I137-V141 PolarHBondContact O-N 3.39Å; I137-I431 HydrophobicContact CD1-CG2 4.4Å; I137-I431 HydrophobicContact CG1-CG2 4.18Å; I137-I431 HydrophobicContact CG2-CG2 4.2Å; I137-K435 HydrophobicContact CD1-CB 3.74Å; I137-K435 HydrophobicContact CD1-CD 4.27Å; I137-K435 HydrophobicContact CD1-CG 3.61Å; I137-K435 HydrophobicContact CG1-CB 4.09Å; I137-K435 HydrophobicContact CG1-CD 3.89Å; I137-K435 HydrophobicContact CG1-CG 3.82Å |
| 138 | R | 80.3 | Confident | 82.4 | Confident | 81 Ų | 81 | 74 Ų | 74 | 31% | 0.306 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 179.7 | -65.8 | -172.6 | -79.3 | 135.5 | 0.7 | 113.5 | L133 P134 Q135 L140 S144 | L133-R138 HydrophobicContact CB-CG 4.07Å; L133-R138 PolarHBondContact O-NE 3.17Å; P134-R138 PolarHBondContact O-N 3.45Å; P134-R138 VanDerWaalsContact O-N 3.11Å; Q135-R138 WeakPolarHBondContact O-CA 3.46Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 3.32Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.83Å; R138-S144 WeakPolarHBondContact CA-OG 3.46Å; R138-S144 PolarHBondContact O-OG 3.41Å |
| 139 | E | 81.1 | Confident | 83.7 | Confident | 142 Ų | 142 | 73 Ų | 73 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73.2 | -21.1 | 177 | -69.5 | 166.8 | -167.1 | 0 | 0 | 113.1 | Q135 I137 | Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.88Å; Q135-E139 PolarHBondContact O-N 3.33Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.06Å |
| 140 | L | 79.6 | Confident | 85 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 45% | 0.45 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -90.4 | -27.6 | -178.3 | -69 | 166 | 0 | 0 | 0 | 113.2 | R136 I137 R138 R438 | R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.08Å; I137-L140 HydrophobicContact CD1-CD1 4.45Å; I137-L140 PolarHBondContact O-N 3.09Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.83Å; L140-R438 VanDerWaalsContact CD1-NH1 3.32Å |
| 141 | V | 85.4 | Confident | 85.9 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | trans | -128.5 | 110.4 | -173 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | I137 E143 S144 | I137-V141 PolarHBondContact O-N 3.39Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 HydrophobicContact CG1-CB 4.37Å; V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; V141-E143 PolarHBondContact O-N 3.47Å; V141-S144 WeakPolarHBondContact O-CB 3.28Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 VanDerWaalsContact O-N 3.14Å; V141-S144 PolarHBondContact O-OG 2.95Å | ||
| 142 | P | 83.2 | Confident | 86.4 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.9 | -174.6 | 23.4 | -31 | 0 | 0 | 0 | 113.4 | S144 Q145 | P142-S144 PolarHBondContact O-N 3.46Å; P142-Q145 PolarHBondContact O-N 3.39Å |
| 143 | E | 89.3 | Confident | 87 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.5 | 178.4 | -60.5 | 79.1 | -174.8 | 0 | 0 | 112.9 | V141 Q145 A146 Y147 | V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 HydrophobicContact CG1-CB 4.37Å; V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; V141-E143 PolarHBondContact O-N 3.47Å; E143-Q145 PolarHBondContact O-N 2.98Å; E143-A146 WeakPolarHBondContact O-CB 3.04Å; E143-A146 PolarHBondContact O-N 3.27Å; E143-A146 VanDerWaalsContact O-N 3.13Å; E143-Y147 PolarHBondContact O-N 2.8Å |
| 144 | S | 89.2 | Confident | 87.3 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -28.3 | 175.3 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | R138 V141 P142 Y147 M148 | R138-S144 WeakPolarHBondContact CA-OG 3.46Å; R138-S144 PolarHBondContact O-OG 3.41Å; V141-S144 WeakPolarHBondContact O-CB 3.28Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 VanDerWaalsContact O-N 3.14Å; V141-S144 PolarHBondContact O-OG 2.95Å; P142-S144 PolarHBondContact O-N 3.46Å; S144-Y147 PolarHBondContact O-N 3.25Å; S144-M148 WeakPolarHBondContact O-CG 3.39Å; S144-M148 PolarHBondContact O-N 3.28Å; S144-M148 VanDerWaalsContact O-N 3.16Å |
| 145 | Q | 88.4 | Confident | 87.6 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 176.6 | -175.3 | 56.2 | 42.7 | 0 | 0 | 111.4 | P142 E143 Y147 M148 D149 | P142-Q145 PolarHBondContact O-N 3.39Å; E143-Q145 PolarHBondContact O-N 2.98Å; Q145-Y147 VanDerWaalsContact C-N 3.29Å; Q145-Y147 PolarHBondContact O-N 3.26Å; Q145-M148 WeakPolarHBondContact O-CB 3.22Å; Q145-M148 PolarHBondContact O-N 3.22Å; Q145-M148 VanDerWaalsContact O-N 3.1Å; Q145-D149 PolarHBondContact NE2-OD1 2.99Å; Q145-D149 PolarHBondContact O-N 2.64Å |
| 146 | A | 91.4 | Very high | 88.2 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E143 D149 L150 | E143-A146 WeakPolarHBondContact O-CB 3.04Å; E143-A146 PolarHBondContact O-N 3.27Å; E143-A146 VanDerWaalsContact O-N 3.13Å; A146-D149 PolarHBondContact O-N 3.03Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.98Å |
| 147 | Y | 91.6 | Very high | 88.9 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173 | 175 | -106.3 | 0 | 0 | 0 | 112.5 | K131 L133 E143 S144 Q145 D149 L150 L151 I424 | K131-Y147 WeakPolarHBondContact O-CE1 3.24Å; K131-Y147 PolarHBondContact O-OH 3.23Å; L133-Y147 HydrophobicContact CD1-CD1 3.64Å; L133-Y147 HydrophobicContact CD1-CE1 4.25Å; L133-Y147 HydrophobicContact CD1-CG 4.4Å; L133-Y147 HydrophobicContact CG-CD1 3.87Å; L133-Y147 HydrophobicContact CG-CE1 3.98Å; E143-Y147 PolarHBondContact O-N 2.8Å; S144-Y147 PolarHBondContact O-N 3.25Å; Q145-Y147 VanDerWaalsContact C-N 3.29Å; Q145-Y147 PolarHBondContact O-N 3.26Å; Y147-D149 VanDerWaalsContact C-N 3.32Å; Y147-D149 PolarHBondContact O-N 3.43Å; Y147-L150 WeakPolarHBondContact O-CB 3.3Å; Y147-L150 PolarHBondContact O-N 3.11Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.37Å; Y147-L151 PolarHBondContact O-N 2.97Å; Y147-I424 WeakPolarHBondContact OH-CG2 3.26Å |
| 148 | M | 89.4 | Confident | 89.3 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 15% | 0.153 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 176.5 | -67.8 | -60.4 | -59.9 | 0 | 0 | 112.5 | I132 S144 Q145 L151 A152 | I132-M148 HydrophobicContact CG2-CE 3.97Å; I132-M148 HydrophobicContact CG2-SD 4.19Å; S144-M148 WeakPolarHBondContact O-CG 3.39Å; S144-M148 PolarHBondContact O-N 3.28Å; S144-M148 VanDerWaalsContact O-N 3.16Å; Q145-M148 WeakPolarHBondContact O-CB 3.22Å; Q145-M148 PolarHBondContact O-N 3.22Å; Q145-M148 VanDerWaalsContact O-N 3.1Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 4.14Å; M148-A152 PolarHBondContact O-N 2.89Å |
| 149 | D | 92.3 | Very high | 89.8 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 175.6 | -65.7 | -23.7 | 0 | 0 | 0 | 111.3 | Q145 A146 Y147 A152 F153 | Q145-D149 PolarHBondContact NE2-OD1 2.99Å; Q145-D149 PolarHBondContact O-N 2.64Å; A146-D149 PolarHBondContact O-N 3.03Å; Y147-D149 VanDerWaalsContact C-N 3.32Å; Y147-D149 PolarHBondContact O-N 3.43Å; D149-A152 WeakPolarHBondContact O-CB 3.2Å; D149-A152 PolarHBondContact O-N 3.37Å; D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.87Å |
| 150 | L | 93.9 | Very high | 90.5 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 171.6 | -71.6 | 174.3 | 0 | 0 | 0 | 111.9 | A146 Y147 A152 F153 E154 | A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.98Å; Y147-L150 WeakPolarHBondContact O-CB 3.3Å; Y147-L150 PolarHBondContact O-N 3.11Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.09Å; L150-F153 PolarHBondContact O-N 3.45Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.32Å |
| 151 | L | 91.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 79.2 Ų | 79.2 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | 173.8 | -71.4 | 176 | 0 | 0 | 0 | 112.7 | K131 Y147 M148 E154 R155 | K131-L151 HydrophobicContact CB-CD2 4.36Å; K131-L151 HydrophobicContact CD-CD2 4.42Å; K131-L151 WeakPolarHBondContact O-CD1 3.44Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.37Å; Y147-L151 PolarHBondContact O-N 2.97Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 4.14Å; L151-E154 WeakPolarHBondContact CD2-OE2 3.48Å; L151-R155 WeakPolarHBondContact O-CG 2.96Å; L151-R155 PolarHBondContact O-N 2.85Å; L151-R155 VanDerWaalsContact O-N 3.17Å; L151-R155 PolarHBondContact O-NE 3.14Å |
| 152 | A | 90.7 | Very high | 91.3 | Very high | 29 Ų | 29 | 81 Ų | 81 | 24% | 0.24 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M148 D149 L150 K156 | M148-A152 PolarHBondContact O-N 2.89Å; D149-A152 WeakPolarHBondContact O-CB 3.2Å; D149-A152 PolarHBondContact O-N 3.37Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.09Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.44Å |
| 153 | F | 95.6 | Very high | 91.8 | Very high | 130 Ų | 130 | 82.6 Ų | 82.6 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.2 | -47.5 | 174.9 | 179.1 | -99.5 | 0 | 0 | 0 | 111.9 | D149 L150 R155 K156 L157 | D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.87Å; L150-F153 PolarHBondContact O-N 3.45Å; F153-R155 VanDerWaalsContact C-N 3.32Å; F153-R155 PolarHBondContact O-N 3.47Å; F153-K156 PolarHBondContact O-N 3.35Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.49Å |
| 154 | E | 92.2 | Very high | 92 | Very high | 56 Ų | 56 | 81.4 Ų | 81.4 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -50.9 | -50.8 | 174.4 | -177.4 | -163.6 | -167.6 | 0 | 0 | 110.4 | K131 L150 L151 K156 L157 D158 | K131-E154 IonicContact NZ-OE1 3.19Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.32Å; L151-E154 WeakPolarHBondContact CD2-OE2 3.48Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.31Å; E154-L157 WeakPolarHBondContact O-CB 3.46Å; E154-L157 PolarHBondContact O-N 2.94Å; E154-L157 VanDerWaalsContact O-N 3.12Å; E154-D158 WeakPolarHBondContact O-CB 3.18Å; E154-D158 PolarHBondContact O-N 3.13Å |
| 155 | R | 90.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 42% | 0.419 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -54.6 | -44.4 | 176.3 | -81.1 | -174.5 | -75.3 | 178 | 0 | 113.4 | M128 L151 F153 Q159 | M128-R155 HydrophobicContact CE-CG 3.4Å; L151-R155 WeakPolarHBondContact O-CG 2.96Å; L151-R155 PolarHBondContact O-N 2.85Å; L151-R155 VanDerWaalsContact O-N 3.17Å; L151-R155 PolarHBondContact O-NE 3.14Å; F153-R155 VanDerWaalsContact C-N 3.32Å; F153-R155 PolarHBondContact O-N 3.47Å; R155-Q159 WeakPolarHBondContact O-CB 3.15Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.2Å; R155-Q159 VanDerWaalsContact O-N 3.07Å |
| 156 | K | 94.5 | Very high | 92.3 | Very high | 141 Ų | 141 | 84.6 Ų | 84.6 | 61% | 0.613 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69.6 | -38.1 | 180 | -71 | 174.9 | -178.8 | 177.1 | 0 | 111.4 | A152 F153 E154 T160 | A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.44Å; F153-K156 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.31Å; K156-T160 WeakPolarHBondContact O-CB 3.34Å; K156-T160 PolarHBondContact O-N 3.38Å; K156-T160 PolarHBondContact O-OG1 2.86Å |
| 157 | L | 93.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 85.4 Ų | 85.4 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.5 | -52 | 177 | -178 | 63.5 | 0 | 0 | 0 | 110.3 | F153 E154 Q159 T160 I161 | F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.49Å; E154-L157 WeakPolarHBondContact O-CB 3.46Å; E154-L157 PolarHBondContact O-N 2.94Å; E154-L157 VanDerWaalsContact O-N 3.12Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; L157-T160 CarbonylContact O-C 3.47Å; L157-T160 WeakPolarHBondContact O-CA 3.2Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.37Å; L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.35Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.82Å; L157-I161 HydrophobicContact CG-CG1 4.44Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.93Å |
| 158 | D | 90.9 | Very high | 92.3 | Very high | 86 Ų | 86 | 84.3 Ų | 84.3 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 178.4 | -76.3 | -14 | 0 | 0 | 0 | 112.4 | E154 T160 I161 M162 | E154-D158 WeakPolarHBondContact O-CB 3.18Å; E154-D158 PolarHBondContact O-N 3.13Å; D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 PolarHBondContact O-N 2.86Å; D158-I161 PolarHBondContact O-N 3.03Å; D158-M162 VanDerWaalsContact O-CB 3.31Å; D158-M162 WeakPolarHBondContact O-CB 3.22Å; D158-M162 PolarHBondContact O-N 3.27Å |
| 159 | Q | 92.4 | Very high | 92.3 | Very high | 131 Ų | 131 | 86.8 Ų | 86.8 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 173.7 | -76.6 | 171.6 | 18.2 | 0 | 0 | 111.6 | R155 L157 R163 | R155-Q159 WeakPolarHBondContact O-CB 3.15Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.2Å; R155-Q159 VanDerWaalsContact O-N 3.07Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; Q159-R163 VanDerWaalsContact O-CB 3.25Å; Q159-R163 WeakPolarHBondContact O-CB 3.18Å; Q159-R163 PolarHBondContact O-N 2.94Å |
| 160 | T | 94.9 | Very high | 92.2 | Very high | 57 Ų | 57 | 86.8 Ų | 86.8 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | K156 L157 D158 R163 K164 | K156-T160 WeakPolarHBondContact O-CB 3.34Å; K156-T160 PolarHBondContact O-N 3.38Å; K156-T160 PolarHBondContact O-OG1 2.86Å; L157-T160 CarbonylContact O-C 3.47Å; L157-T160 WeakPolarHBondContact O-CA 3.2Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.37Å; D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 PolarHBondContact O-N 2.86Å; T160-R163 PolarHBondContact O-N 3.45Å; T160-R163 PolarHBondContact OG1-NH2 2.9Å; T160-K164 HydrophobicContact CG2-CG 4.41Å; T160-K164 WeakPolarHBondContact O-CB 3.36Å; T160-K164 VanDerWaalsContact O-CG 3.31Å; T160-K164 WeakPolarHBondContact O-CG 3.34Å; T160-K164 PolarHBondContact O-N 3.01Å |
| 161 | I | 91.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 42% | 0.415 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 176 | -68.7 | 170 | 0 | 0 | 0 | 109.8 | L157 D158 R163 K164 R165 | L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.35Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.82Å; L157-I161 HydrophobicContact CG-CG1 4.44Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.93Å; D158-I161 PolarHBondContact O-N 3.03Å; I161-R163 PolarHBondContact O-N 3.34Å; I161-K164 PolarHBondContact O-N 2.99Å; I161-R165 WeakPolarHBondContact O-CB 3.32Å; I161-R165 PolarHBondContact O-N 2.93Å |
| 162 | M | 90.7 | Very high | 91.6 | Very high | 100 Ų | 100 | 84.5 Ų | 84.5 | 49% | 0.493 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | -179.8 | -174.7 | 59.9 | -173.9 | 0 | 0 | 111.7 | D158 R165 L166 | D158-M162 VanDerWaalsContact O-CB 3.31Å; D158-M162 WeakPolarHBondContact O-CB 3.22Å; D158-M162 PolarHBondContact O-N 3.27Å; M162-R165 WeakPolarHBondContact O-CB 3.13Å; M162-R165 PolarHBondContact O-N 3.49Å; M162-L166 HydrophobicContact CE-CD1 4.24Å; M162-L166 HydrophobicContact CE-CD2 4.17Å; M162-L166 HydrophobicContact CE-CG 4.17Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.36Å |
| 163 | R | 94.3 | Very high | 91.3 | Very high | 137 Ų | 137 | 90.1 Ų | 90.1 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 173.3 | 177.7 | 178.9 | 57.9 | -168.1 | -5.6 | 111.2 | Q159 T160 I161 R165 L166 D167 | Q159-R163 VanDerWaalsContact O-CB 3.25Å; Q159-R163 WeakPolarHBondContact O-CB 3.18Å; Q159-R163 PolarHBondContact O-N 2.94Å; T160-R163 PolarHBondContact O-N 3.45Å; T160-R163 PolarHBondContact OG1-NH2 2.9Å; I161-R163 PolarHBondContact O-N 3.34Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 2.99Å; R163-L166 PolarHBondContact O-N 3.14Å; R163-L166 VanDerWaalsContact O-N 3.14Å; R163-D167 VanDerWaalsContact O-CG 3.24Å; R163-D167 PolarHBondContact O-N 3.17Å |
| 164 | K | 93.4 | Very high | 90.5 | Very high | 108 Ų | 108 | 93 Ų | 93 | 47% | 0.47 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 178.9 | -73.2 | -67.1 | 174.2 | -159.8 | 0 | 112.6 | T160 I161 D167 I168 | T160-K164 HydrophobicContact CG2-CG 4.41Å; T160-K164 WeakPolarHBondContact O-CB 3.36Å; T160-K164 VanDerWaalsContact O-CG 3.31Å; T160-K164 WeakPolarHBondContact O-CG 3.34Å; T160-K164 PolarHBondContact O-N 3.01Å; I161-K164 PolarHBondContact O-N 2.99Å; K164-D167 IonicContact NZ-OD2 3.69Å; K164-D167 PolarHBondContact O-N 3.11Å; K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.21Å; K164-I168 WeakPolarHBondContact O-CG1 3.32Å; K164-I168 PolarHBondContact O-N 2.81Å |
| 165 | R | 91.3 | Very high | 89.6 | Confident | 80 Ų | 80 | 93 Ų | 93 | 30% | 0.302 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 172.8 | -165.9 | -177 | -173.1 | 177.7 | 4.1 | 111.3 | I161 M162 R163 I168 Q169 L408 | I161-R165 WeakPolarHBondContact O-CB 3.32Å; I161-R165 PolarHBondContact O-N 2.93Å; M162-R165 WeakPolarHBondContact O-CB 3.13Å; M162-R165 PolarHBondContact O-N 3.49Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 2.99Å; R165-I168 PolarHBondContact O-N 2.97Å; R165-Q169 WeakPolarHBondContact O-CG 3.21Å; R165-Q169 PolarHBondContact O-N 3.46Å; R165-L408 HydrophobicContact CG-CD2 3.45Å; R165-L408 VanDerWaalsContact CG-CD2 3.45Å; R165-L408 PolarHBondContact NH2-O 2.83Å; R165-L408 VanDerWaalsContact NH2-O 3.1Å |
| 166 | L | 91.8 | Very high | 89 | Confident | 87 Ų | 87 | 92.9 Ų | 92.9 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.6 | -67.6 | 175.1 | 0 | 0 | 0 | 111.9 | M162 R163 I168 Q169 E170 | M162-L166 HydrophobicContact CE-CD1 4.24Å; M162-L166 HydrophobicContact CE-CD2 4.17Å; M162-L166 HydrophobicContact CE-CG 4.17Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.36Å; R163-L166 PolarHBondContact O-N 3.14Å; R163-L166 VanDerWaalsContact O-N 3.14Å; L166-I168 VanDerWaalsContact C-N 3.31Å; L166-I168 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact O-N 3.33Å; L166-E170 WeakPolarHBondContact O-CB 3.47Å; L166-E170 PolarHBondContact O-N 2.9Å |
| 167 | D | 91.8 | Very high | 88.5 | Confident | 74 Ų | 74 | 88.9 Ų | 88.9 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 175 | -64.8 | -15.2 | 0 | 0 | 0 | 110.8 | R163 K164 E170 A171 | R163-D167 VanDerWaalsContact O-CG 3.24Å; R163-D167 PolarHBondContact O-N 3.17Å; K164-D167 IonicContact NZ-OD2 3.69Å; K164-D167 PolarHBondContact O-N 3.11Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.16Å |
| 168 | I | 90.1 | Very high | 88.1 | Confident | 32 Ų | 32 | 88 Ų | 88 | 16% | 0.164 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.9 | -71.3 | 167.2 | 0 | 0 | 0 | 110.9 | K164 R165 L166 E170 A171 L172 M404 F407 L408 | K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.21Å; K164-I168 WeakPolarHBondContact O-CG1 3.32Å; K164-I168 PolarHBondContact O-N 2.81Å; R165-I168 PolarHBondContact O-N 2.97Å; L166-I168 VanDerWaalsContact C-N 3.31Å; L166-I168 PolarHBondContact O-N 3.28Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; I168-A171 PolarHBondContact O-N 3.1Å; I168-L172 HydrophobicContact CG2-CD1 4.15Å; I168-L172 WeakPolarHBondContact O-CB 3.49Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.37Å; I168-M404 HydrophobicContact CB-CE 4.05Å; I168-M404 HydrophobicContact CG1-CE 3.98Å; I168-M404 HydrophobicContact CG2-CB 3.81Å; I168-M404 HydrophobicContact CG2-CE 3.75Å; I168-M404 HydrophobicContact CG2-CG 4.05Å; I168-F407 HydrophobicContact CD1-CD1 3.51Å; I168-F407 HydrophobicContact CD1-CE1 3.62Å; I168-F407 HydrophobicContact CD1-CG 4.4Å; I168-L408 HydrophobicContact CB-CD2 4.37Å; I168-L408 HydrophobicContact CG2-CD1 4.04Å; I168-L408 HydrophobicContact CG2-CD2 3.92Å; I168-L408 HydrophobicContact CG2-CG 3.87Å |
| 169 | Q | 89.8 | Confident | 88 | Confident | 83 Ų | 83 | 91 Ų | 91 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176 | -78.1 | -179.2 | -12.8 | 0 | 0 | 112.1 | R165 L166 L172 K173 L408 | R165-Q169 WeakPolarHBondContact O-CG 3.21Å; R165-Q169 PolarHBondContact O-N 3.46Å; L166-Q169 PolarHBondContact O-N 3.33Å; Q169-L172 PolarHBondContact O-N 3.43Å; Q169-K173 PolarHBondContact O-N 2.67Å; Q169-L408 HydrophobicContact CG-CD1 3.7Å; Q169-L408 HydrophobicContact CG-CD2 3.91Å; Q169-L408 HydrophobicContact CG-CG 4.49Å |
| 170 | E | 90.8 | Very high | 87.8 | Confident | 90 Ų | 90 | 88.8 Ų | 88.8 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 176.9 | -173.9 | 58.1 | -153 | 0 | 0 | 111.5 | L166 D167 I168 L172 K173 | L166-E170 WeakPolarHBondContact O-CB 3.47Å; L166-E170 PolarHBondContact O-N 2.9Å; D167-E170 PolarHBondContact O-N 3.02Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.22Å; E170-K173 WeakPolarHBondContact O-CB 3.39Å; E170-K173 PolarHBondContact O-N 2.86Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 WeakPolarHBondContact OE2-CD 3.38Å; E170-K173 WeakPolarHBondContact OE2-CE 2.97Å; E170-K173 IonicContact OE2-NZ 2.67Å; E170-K173 PolarHBondContact OE2-NZ 3.34Å |
| 171 | A | 87.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 90.9 Ų | 90.9 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D167 I168 K173 R174 M404 | D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.16Å; I168-A171 PolarHBondContact O-N 3.1Å; A171-K173 PolarHBondContact O-N 3.09Å; A171-R174 CarbonylContact O-C 3.58Å; A171-R174 VanDerWaalsContact O-C 3.3Å; A171-R174 PolarHBondContact O-N 3.16Å; A171-R174 VanDerWaalsContact O-O 3.11Å; A171-M404 HydrophobicContact CB-CE 3.73Å |
| 172 | L | 86 | Confident | 87.8 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -23 | 177.4 | -78.7 | 174.4 | 0 | 0 | 0 | 114 | I168 Q169 E170 R174 K401 M404 L408 | I168-L172 HydrophobicContact CG2-CD1 4.15Å; I168-L172 WeakPolarHBondContact O-CB 3.49Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.37Å; Q169-L172 PolarHBondContact O-N 3.43Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.22Å; L172-R174 PolarHBondContact O-N 3.26Å; L172-K401 HydrophobicContact CD2-CB 4.4Å; L172-K401 HydrophobicContact CD2-CG 3.91Å; L172-M404 HydrophobicContact CD1-CB 4.09Å; L172-M404 HydrophobicContact CD2-CB 3.94Å; L172-M404 HydrophobicContact CD2-SD 4.09Å; L172-M404 HydrophobicContact CG-CB 4.17Å; L172-M404 HydrophobicContact CG-SD 4.34Å; L172-L408 HydrophobicContact CD1-CD1 3.44Å; L172-L408 VanDerWaalsContact CD1-CD1 3.44Å |
| 173 | K | 83.7 | Confident | 88 | Confident | 148 Ų | 148 | 86.2 Ų | 86.2 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.8 | 172.5 | -63.8 | 174.7 | -169.2 | 164.8 | 0 | 112.5 | Q169 E170 A171 P175 | Q169-K173 PolarHBondContact O-N 2.67Å; E170-K173 WeakPolarHBondContact O-CB 3.39Å; E170-K173 PolarHBondContact O-N 2.86Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 WeakPolarHBondContact OE2-CD 3.38Å; E170-K173 WeakPolarHBondContact OE2-CE 2.97Å; E170-K173 IonicContact OE2-NZ 2.67Å; E170-K173 PolarHBondContact OE2-NZ 3.34Å; A171-K173 PolarHBondContact O-N 3.09Å; K173-P175 VanDerWaalsContact C-CD 3.47Å; K173-P175 WeakPolarHBondContact O-CD 3.44Å |
| 174 | R | 79.3 | Confident | 88.1 | Confident | 189 Ų | 189 | 79.7 Ų | 79.7 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -119.1 | 72.4 | 178.6 | -60 | -175.2 | -171.5 | -157.8 | 1.2 | 108.8 | A171 L172 I176 | A171-R174 CarbonylContact O-C 3.58Å; A171-R174 VanDerWaalsContact O-C 3.3Å; A171-R174 PolarHBondContact O-N 3.16Å; A171-R174 VanDerWaalsContact O-O 3.11Å; L172-R174 PolarHBondContact O-N 3.26Å; R174-I176 PolarHBondContact O-N 3Å |
| 175 | P | 72.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 127.6 | -175.4 | 24.2 | -33.3 | 0 | 0 | 0 | 110.2 | K173 K177 | K173-P175 VanDerWaalsContact C-CD 3.47Å; K173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-K177 PolarHBondContact O-N 3.47Å |
| 176 | I | 78.8 | Confident | 88.4 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 126.3 | 176.5 | -55.7 | 172 | 0 | 0 | 0 | 107.4 | R174 D398 | R174-I176 PolarHBondContact O-N 3Å; I176-D398 HydrophobicContact CB-CB 4.44Å; I176-D398 WeakPolarHBondContact O-CB 3.45Å; I176-D398 PolarHBondContact O-N 2.96Å |
| 177 | K | 83.3 | Confident | 88.4 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.3 | 174.4 | -61 | -66.3 | -171.8 | 158.3 | 0 | 109.1 | P175 Q291 E395 V396 D397 | P175-K177 PolarHBondContact O-N 3.47Å; K177-Q291 WeakPolarHBondContact CE-O 3.35Å; K177-Q291 PolarHBondContact NZ-O 3.34Å; K177-E395 HydrophobicContact CB-CB 4.13Å; K177-E395 HydrophobicContact CB-CG 4.34Å; K177-V396 WeakPolarHBondContact CA-O 3.46Å; K177-D397 WeakPolarHBondContact CD-OD1 3.27Å; K177-D397 VanDerWaalsContact CE-OD1 3.26Å; K177-D397 WeakPolarHBondContact CE-OD1 3.36Å; K177-D397 IonicContact NZ-OD1 2.75Å; K177-D397 PolarHBondContact NZ-OD1 2.95Å |
| 178 | Q | 85.2 | Confident | 88.4 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135 | 172.1 | -62.9 | -176.7 | 6.9 | 0 | 0 | 109.3 | E395 V396 D398 | Q178-E395 WeakPolarHBondContact O-CA 3.48Å; Q178-V396 PolarHBondContact N-O 2.77Å; Q178-V396 PolarHBondContact O-N 3.13Å; Q178-D398 HydrophobicContact CG-CB 4.47Å; Q178-D398 PolarHBondContact NE2-OD1 3.32Å; Q178-D398 PolarHBondContact NE2-OD2 3.46Å |
| 179 | K | 88.1 | Confident | 88.5 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.6 | 171.6 | -67.4 | -172.2 | 176.9 | -171.4 | 0 | 109.7 | V394 E395 | K179-V394 WeakPolarHBondContact CA-O 3.46Å; K179-E395 HydrophobicContact CG-CG 4.42Å |
| 180 | R | 89.4 | Confident | 88.5 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.3 | 176.7 | -66.7 | -68.9 | 179.9 | -163.5 | -4 | 109.2 | L215 D218 D393 V394 V396 | R180-L215 HydrophobicContact CB-CD1 3.81Å; R180-L215 HydrophobicContact CB-CG 4.44Å; R180-D218 IonicContact NH1-OD2 3.65Å; R180-D393 CarbonylContact O-C 3.47Å; R180-D393 WeakPolarHBondContact O-CA 3.35Å; R180-V394 PolarHBondContact N-O 2.86Å; R180-V394 PolarHBondContact O-N 3.1Å; R180-V396 HydrophobicContact CB-CG2 4.11Å; R180-V396 HydrophobicContact CG-CB 4.47Å; R180-V396 HydrophobicContact CG-CG2 3.97Å |
| 181 | K | 92.4 | Very high | 88.4 | Confident | 101 Ų | 101 | 64 Ų | 64 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.6 | 175.6 | -73 | -178.9 | 175.5 | -65.5 | 0 | 110.2 | L216 I392 D393 | K181-L216 HydrophobicContact CB-CB 4.26Å; K181-L216 HydrophobicContact CB-CD1 3.88Å; K181-L216 HydrophobicContact CB-CG 4.35Å; K181-L216 WeakPolarHBondContact O-CB 3.3Å; K181-L216 PolarHBondContact O-N 3.18Å; K181-I392 CarbonylContact C-O 3.6Å; K181-I392 WeakPolarHBondContact CA-O 3.29Å; K181-D393 IonicContact NZ-OD1 3.42Å |
| 182 | L | 94.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.7 | 167 | 179.1 | 66.4 | 0 | 0 | 0 | 107.9 | L215 F233 F236 F237 I392 V394 | L182-L215 HydrophobicContact CB-CD1 4.4Å; L182-L215 HydrophobicContact CD1-CB 4.44Å; L182-F233 HydrophobicContact CD1-CD2 4.33Å; L182-F233 HydrophobicContact CD2-CD2 4.16Å; L182-F233 HydrophobicContact CD2-CE2 4.16Å; L182-F236 HydrophobicContact CD1-CD2 4.18Å; L182-F236 HydrophobicContact CD1-CE2 4.14Å; L182-F236 HydrophobicContact CD2-CB 4.04Å; L182-F236 HydrophobicContact CD2-CD2 3.84Å; L182-F236 HydrophobicContact CD2-CG 3.97Å; L182-F237 HydrophobicContact CD2-CE2 3.87Å; L182-F237 HydrophobicContact CD2-CZ 3.73Å; L182-I392 HydrophobicContact CB-CG1 3.98Å; L182-I392 HydrophobicContact CD2-CD1 4.25Å; L182-I392 HydrophobicContact CD2-CG1 4.42Å; L182-I392 HydrophobicContact CG-CG1 4.48Å; L182-I392 PolarHBondContact N-O 3.32Å; L182-I392 PolarHBondContact O-N 3.22Å; L182-V394 HydrophobicContact CB-CB 4.47Å; L182-V394 HydrophobicContact CB-CG1 3.81Å; L182-V394 HydrophobicContact CB-CG2 3.78Å; L182-V394 HydrophobicContact CD2-CG1 3.92Å |
| 183 | R | 95.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.5 | 175.4 | -177.4 | 162.6 | -69 | 172.8 | -0 | 109.6 | F185 G213 R214 L216 Y390 D391 | R183-F185 HydrophobicContact CB-CE2 4.32Å; R183-F185 HydrophobicContact CB-CZ 4.34Å; R183-F185 VanDerWaalsContact CD-CZ 3.44Å; R183-F185 HydrophobicContact CG-CD2 4.48Å; R183-F185 HydrophobicContact CG-CE1 3.94Å; R183-F185 HydrophobicContact CG-CE2 3.87Å; R183-F185 HydrophobicContact CG-CZ 3.57Å; R183-G213 CarbonylContact O-C 3.29Å; R183-G213 WeakPolarHBondContact O-CA 3.35Å; R183-R214 PolarHBondContact N-O 3.43Å; R183-R214 PolarHBondContact O-N 3.15Å; R183-L216 HydrophobicContact CB-CD1 4.3Å; R183-L216 HydrophobicContact CB-CD2 3.97Å; R183-L216 HydrophobicContact CB-CG 4.07Å; R183-Y390 CarbonylContact C-O 3.58Å; R183-Y390 WeakPolarHBondContact CA-O 3.45Å; R183-D391 VanDerWaalsContact CB-OD1 3.3Å; R183-D391 WeakPolarHBondContact CB-OD1 3.28Å; R183-D391 VanDerWaalsContact CG-OD1 3.3Å; R183-D391 WeakPolarHBondContact CG-OD1 3.4Å; R183-D391 IonicContact CZ-OD1 3.23Å; R183-D391 IonicContact CZ-OD2 2.82Å; R183-D391 IonicContact NE-OD1 3.02Å; R183-D391 PolarHBondContact NE-OD1 3.45Å; R183-D391 IonicContact NE-OD2 2.58Å; R183-D391 IonicContact NH2-OD1 2.65Å; R183-D391 PolarHBondContact NH2-OD1 2.94Å; R183-D391 IonicContact NH2-OD2 2.66Å; R183-D391 PolarHBondContact NH2-OD2 3.04Å |
| 184 | I | 95.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.6 | 176 | -60.9 | 156.7 | 0 | 0 | 0 | 108.2 | I186 V211 E212 F233 L286 I373 C389 Y390 I392 | I184-I186 HydrophobicContact CG2-CG1 4.15Å; I184-V211 HydrophobicContact CG2-CG1 4.18Å; I184-E212 CarbonylContact C-O 3.59Å; I184-E212 WeakPolarHBondContact CA-O 3.48Å; I184-F233 HydrophobicContact CG1-CE2 3.86Å; I184-F233 HydrophobicContact CG1-CZ 4.29Å; I184-F233 HydrophobicContact CG2-CZ 4.45Å; I184-L286 HydrophobicContact CD1-CD1 3.51Å; I184-L286 HydrophobicContact CG1-CD1 4.49Å; I184-I373 HydrophobicContact CD1-CD1 4.39Å; I184-C389 CarbonylContact O-C 3.5Å; I184-C389 VanDerWaalsContact O-CA 3.32Å; I184-C389 WeakPolarHBondContact O-CA 3.14Å; I184-Y390 PolarHBondContact N-O 2.96Å; I184-Y390 PolarHBondContact O-N 3.3Å; I184-I392 HydrophobicContact CD1-CD1 3.77Å; I184-I392 HydrophobicContact CD1-CG1 3.96Å; I184-I392 HydrophobicContact CD1-CG2 4.04Å |
| 185 | F | 95.4 | Very high | 87.6 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.5 | 175.7 | -58.8 | -82.5 | 0 | 0 | 0 | 108.6 | R183 V211 E212 R214 T387 A388 C389 | R183-F185 HydrophobicContact CB-CE2 4.32Å; R183-F185 HydrophobicContact CB-CZ 4.34Å; R183-F185 VanDerWaalsContact CD-CZ 3.44Å; R183-F185 HydrophobicContact CG-CD2 4.48Å; R183-F185 HydrophobicContact CG-CE1 3.94Å; R183-F185 HydrophobicContact CG-CE2 3.87Å; R183-F185 HydrophobicContact CG-CZ 3.57Å; F185-V211 WeakPolarHBondContact O-CA 3.47Å; F185-E212 HydrophobicContact CB-CB 4.4Å; F185-E212 PolarHBondContact N-O 3.25Å; F185-E212 PolarHBondContact O-N 3.48Å; F185-R214 HydrophobicContact CE2-CB 4.21Å; F185-T387 HydrophobicContact CB-CG2 3.74Å; F185-T387 HydrophobicContact CD1-CG2 3.8Å; F185-T387 HydrophobicContact CG-CG2 4.25Å; F185-A388 WeakPolarHBondContact CA-O 3.39Å; F185-C389 WeakPolarHBondContact CD1-SG 3.45Å |
| 186 | I | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.8 | 171.7 | -55.8 | -176.9 | 0 | 0 | 0 | 107.4 | I184 L209 R210 V211 V284 I373 H375 A388 Y390 | I184-I186 HydrophobicContact CG2-CG1 4.15Å; I186-L209 HydrophobicContact CG2-CD1 3.74Å; I186-R210 WeakPolarHBondContact CA-O 3.28Å; I186-V211 HydrophobicContact CG1-CG2 4.49Å; I186-V284 HydrophobicContact CD1-CG2 4.17Å; I186-I373 HydrophobicContact CD1-CB 4.17Å; I186-I373 HydrophobicContact CD1-CD1 4.15Å; I186-I373 HydrophobicContact CD1-CG2 3.57Å; I186-H375 HydrophobicContact CG2-CB 4.3Å; I186-A388 HydrophobicContact CB-CB 4.44Å; I186-A388 PolarHBondContact N-O 2.87Å; I186-A388 PolarHBondContact O-N 3.06Å; I186-Y390 HydrophobicContact CD1-CD2 4.31Å; I186-Y390 HydrophobicContact CD1-CE2 4.04Å; I186-Y390 HydrophobicContact CG1-CE2 4.42Å |
| 187 | S | 92.9 | Very high | 85.7 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.9 | 178.1 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | R210 | S187-R210 PolarHBondContact N-O 3.31Å; S187-R210 PolarHBondContact O-N 2.86Å |
| 188 | N | 92.2 | Very high | 84.5 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.8 | 173.9 | 60.4 | -76.7 | 0 | 0 | 0 | 111.4 | E208 L209 H375 I377 S378 | N188-E208 CarbonylContact C-O 3.45Å; N188-E208 WeakPolarHBondContact CA-O 3.49Å; N188-L209 HydrophobicContact CB-CD1 4.34Å; N188-H375 PolarHBondContact OD1-NE2 2.83Å; N188-I377 HydrophobicContact CB-CG2 4.13Å; N188-S378 PolarHBondContact ND2-N 3.22Å; N188-S378 PolarHBondContact ND2-O 2.98Å; N188-S378 VanDerWaalsContact ND2-O 3.07Å |
| 189 | T | 90.6 | Very high | 83.2 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.7 | 174.9 | -52.8 | 0 | 0 | 0 | 0 | 108.5 | W207 E208 | T189-W207 CarbonylContact O-C 3.55Å; T189-W207 WeakPolarHBondContact O-CA 3.44Å; T189-E208 PolarHBondContact N-O 2.87Å; T189-E208 PolarHBondContact O-N 3.12Å |
| 190 | F | 90.6 | Very high | 81.5 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 10% | 0.096 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.1 | 176.2 | 173.9 | -107.9 | 0 | 0 | 0 | 110.5 | P192 A205 W207 G276 V379 Q384 | F190-P192 HydrophobicContact CE1-CB 4.04Å; F190-A205 HydrophobicContact CE2-CB 4.2Å; F190-A205 HydrophobicContact CZ-CB 4.16Å; F190-W207 HydrophobicContact CD2-CB 4.37Å; F190-G276 WeakPolarHBondContact CE2-O 3.39Å; F190-V379 HydrophobicContact CD1-CB 4.16Å; F190-V379 WeakPolarHBondContact CD1-O 3.44Å; F190-V379 HydrophobicContact CD2-CB 4.03Å; F190-V379 HydrophobicContact CD2-CG1 3.73Å; F190-V379 HydrophobicContact CE1-CB 4.25Å; F190-V379 HydrophobicContact CE2-CB 4.12Å; F190-V379 HydrophobicContact CE2-CG1 3.83Å; F190-V379 HydrophobicContact CG-CB 4.04Å; F190-V379 HydrophobicContact CG-CG1 4.21Å; F190-V379 HydrophobicContact CZ-CB 4.22Å; F190-V379 HydrophobicContact CZ-CG1 4.38Å; F190-Q384 PolarHBondContact O-NE2 2.87Å |
| 191 | N | 88.4 | Confident | 79.9 | Confident | 63 Ų | 63 | 78 Ų | 78 | 34% | 0.337 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.1 | 177.2 | -63.1 | -52 | 0 | 0 | 0 | 108.4 | A205 S206 | N191-A205 WeakPolarHBondContact O-CA 3.24Å; N191-S206 WeakPolarHBondContact CA-O 3.49Å; N191-S206 PolarHBondContact N-O 3.26Å; N191-S206 PolarHBondContact O-N 3.28Å |
| 192 | P | 85.7 | Confident | 78.6 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 153.9 | 178.8 | 28.1 | -34 | 0 | 0 | 0 | 111.2 | F190 K194 | F190-P192 HydrophobicContact CE1-CB 4.04Å; P192-K194 PolarHBondContact O-N 2.89Å |
| 193 | A | 84.3 | Confident | 77.8 | Confident | 54 Ų | 54 | 79.3 Ų | 79.3 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 133.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T203 A205 | A193-T203 VanDerWaalsContact CA-O 3.23Å; A193-T203 WeakPolarHBondContact CA-O 3.34Å; A193-T203 VanDerWaalsContact CB-O 3.27Å; A193-T203 WeakPolarHBondContact CB-O 3.45Å; A193-A205 HydrophobicContact CB-CB 4.12Å |
| 194 | K | 81.4 | Confident | 77.4 | Confident | 156 Ų | 156 | 80.8 Ų | 80.8 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | B | Isolated β-bridge | trans | -99.4 | 119.7 | 169.8 | -62.3 | -177.7 | 179.8 | 178.8 | 0 | 109.2 | P192 T203 | P192-K194 PolarHBondContact O-N 2.89Å; K194-T203 WeakPolarHBondContact CB-OG1 3.37Å; K194-T203 PolarHBondContact N-O 3.43Å; K194-T203 PolarHBondContact N-OG1 2.82Å; K194-T203 PolarHBondContact O-N 2.95Å |
| 195 | P | 67.8 | Low | 77.1 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 74% | 0.74 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 129.1 | 166.5 | 28.6 | -28.9 | 0 | 0 | 0 | 108.8 | ||
| 196 | D | 57.4 | Low | 76.9 | Confident | 148 Ų | 148 | 79.1 Ų | 79.1 | 79% | 0.791 | 47% | 0.471 | S | S | * | . | trans | 54.5 | 99.4 | 169.5 | -58.3 | -34.5 | 0 | 0 | 0 | 118 | ||||
| 197 | A | 55.3 | Low | 76.8 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | trans | -81.7 | 140.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | D199 G200 | A197-D199 PolarHBondContact O-N 3.42Å; A197-G200 PolarHBondContact O-N 3.46Å | ||
| 198 | E | 57.7 | Low | 76.8 | Confident | 211 Ų | 211 | 79 Ų | 79 | 99% | 0.986 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -5 | 179.5 | -69.9 | -174.8 | 143.8 | 0 | 0 | 114.2 | ||
| 199 | D | 57.2 | Low | 76.8 | Confident | 163 Ų | 163 | 78.7 Ų | 78.7 | 87% | 0.872 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 10.9 | 175.3 | -74 | -47.5 | 0 | 0 | 0 | 115.2 | A197 | A197-D199 PolarHBondContact O-N 3.42Š|
| 200 | G | 53.1 | Low | 77 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 75% | 0.753 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 84.6 | 11.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | A197 | A197-G200 PolarHBondContact O-N 3.46Š|
| 201 | E | 56 | Low | 77.3 | Confident | 171 Ų | 171 | 79.5 Ų | 79.5 | 80% | 0.799 | 46% | 0.463 | S | S | * | . | trans | -115.9 | 97.2 | 170.1 | -117.7 | -177.5 | 179.3 | 0 | 0 | 110.8 | ||||
| 202 | G | 64.4 | Low | 77.6 | Confident | 54 Ų | 54 | 80.4 Ų | 80.4 | 56% | 0.557 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 142.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 203 | T | 77.8 | Confident | 78 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -97 | 128 | -179.4 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | A193 K194 | A193-T203 VanDerWaalsContact CA-O 3.23Å; A193-T203 WeakPolarHBondContact CA-O 3.34Å; A193-T203 VanDerWaalsContact CB-O 3.27Å; A193-T203 WeakPolarHBondContact CB-O 3.45Å; K194-T203 WeakPolarHBondContact CB-OG1 3.37Å; K194-T203 PolarHBondContact N-O 3.43Å; K194-T203 PolarHBondContact N-OG1 2.82Å; K194-T203 PolarHBondContact O-N 2.95Å |
| 204 | V | 85.8 | Confident | 78.3 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 69% | 0.685 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 141.8 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | S206 P275 | V204-S206 PolarHBondContact O-N 2.95Å; V204-P275 HydrophobicContact CG1-CB 4.19Å |
| 205 | A | 89.4 | Confident | 78.8 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 133.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F190 N191 A193 P275 G276 D277 | F190-A205 HydrophobicContact CE2-CB 4.2Å; F190-A205 HydrophobicContact CZ-CB 4.16Å; N191-A205 WeakPolarHBondContact O-CA 3.24Å; A193-A205 HydrophobicContact CB-CB 4.12Å; A205-P275 WeakPolarHBondContact O-CA 3.44Å; A205-G276 PolarHBondContact O-N 3.22Å; A205-D277 HydrophobicContact CB-CB 4.05Å |
| 206 | S | 91.6 | Very high | 79.7 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 149.7 | -177.6 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | N191 V204 K273 R274 | N191-S206 WeakPolarHBondContact CA-O 3.49Å; N191-S206 PolarHBondContact N-O 3.26Å; N191-S206 PolarHBondContact O-N 3.28Å; V204-S206 PolarHBondContact O-N 2.95Å; S206-K273 WeakPolarHBondContact OG-CE 3.44Å; S206-R274 VanDerWaalsContact CA-O 3.31Å; S206-R274 WeakPolarHBondContact CA-O 3.24Å; S206-R274 VanDerWaalsContact CB-O 3.31Å; S206-R274 WeakPolarHBondContact CB-O 3.46Å |
| 207 | W | 92.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 157.7 | 170.2 | 56.2 | -100.3 | 0 | 0 | 0 | 110.3 | T189 F190 L209 L244 Y249 V272 K273 R274 I377 | T189-W207 CarbonylContact O-C 3.55Å; T189-W207 WeakPolarHBondContact O-CA 3.44Å; F190-W207 HydrophobicContact CD2-CB 4.37Å; W207-L209 HydrophobicContact CE3-CB 4.31Å; W207-L209 HydrophobicContact CZ3-CB 3.96Å; W207-L244 HydrophobicContact CH2-CD1 3.75Å; W207-L244 HydrophobicContact CH2-CD2 3.78Å; W207-L244 HydrophobicContact CH2-CG 4.45Å; W207-L244 HydrophobicContact CZ2-CD1 3.92Å; W207-L244 HydrophobicContact CZ2-CD2 4.23Å; W207-Y249 HydrophobicContact CZ2-CE2 4.16Å; W207-Y249 AromaticContact CZ2-CZ 3.92Å; W207-Y249 AromaticContact NE1-CZ 3.88Å; W207-Y249 PolarHBondContact NE1-OH 3.36Å; W207-V272 HydrophobicContact CH2-CG1 4.44Å; W207-V272 HydrophobicContact CZ3-CG1 4.33Å; W207-K273 WeakPolarHBondContact O-CA 3.49Å; W207-K273 WeakPolarHBondContact O-CG 3.36Å; W207-R274 HydrophobicContact CD2-CB 4.4Å; W207-R274 HydrophobicContact CH2-CB 3.87Å; W207-R274 HydrophobicContact CH2-CG 3.73Å; W207-R274 HydrophobicContact CZ2-CB 3.49Å; W207-R274 VanDerWaalsContact CZ2-CB 3.49Å; W207-R274 HydrophobicContact CZ2-CG 3.77Å; W207-R274 HydrophobicContact CZ3-CB 4.46Å; W207-R274 HydrophobicContact CZ3-CG 4.46Å; W207-R274 PolarHBondContact N-O 3.48Å; W207-R274 PolarHBondContact O-N 3.39Å; W207-R274 VanDerWaalsContact O-N 3.11Å; W207-I377 HydrophobicContact CB-CG2 3.83Å; W207-I377 HydrophobicContact CD2-CD1 4.05Å; W207-I377 HydrophobicContact CD2-CG2 4.05Å; W207-I377 HydrophobicContact CE3-CD1 3.76Å; W207-I377 HydrophobicContact CE3-CG2 4.34Å; W207-I377 HydrophobicContact CG-CG2 3.84Å; W207-I377 HydrophobicContact CH2-CD1 3.82Å; W207-I377 HydrophobicContact CZ2-CD1 4.07Å; W207-I377 HydrophobicContact CZ3-CD1 3.66Å |
| 208 | E | 92.9 | Very high | 81.1 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.093 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.6 | 177.7 | -176.8 | -177.2 | 139.1 | 0 | 0 | 109.1 | N188 T189 R210 Q271 V272 | N188-E208 CarbonylContact C-O 3.45Å; N188-E208 WeakPolarHBondContact CA-O 3.49Å; T189-E208 PolarHBondContact N-O 2.87Å; T189-E208 PolarHBondContact O-N 3.12Å; E208-R210 IonicContact OE1-CZ 3.92Å; E208-R210 IonicContact OE1-NE 3.75Å; E208-R210 PolarHBondContact OE1-NE 2.92Å; E208-R210 IonicContact OE1-NH2 3.17Å; E208-R210 PolarHBondContact OE1-NH2 3.39Å; E208-Q271 HydrophobicContact CG-CG 3.71Å; E208-Q271 WeakPolarHBondContact OE1-CG 3.35Å; E208-Q271 PolarHBondContact OE1-NE2 3.45Å; E208-Q271 PolarHBondContact OE2-NE2 3Å; E208-Q271 VanDerWaalsContact OE2-NE2 3.11Å; E208-V272 CarbonylContact C-O 3.54Å; E208-V272 WeakPolarHBondContact CA-O 3.46Å |
| 209 | L | 94 | Very high | 81.1 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.8 | 173.6 | -178.2 | 69.6 | 0 | 0 | 0 | 108.9 | I186 N188 W207 V211 I242 Q271 V272 I377 | I186-L209 HydrophobicContact CG2-CD1 3.74Å; N188-L209 HydrophobicContact CB-CD1 4.34Å; W207-L209 HydrophobicContact CE3-CB 4.31Å; W207-L209 HydrophobicContact CZ3-CB 3.96Å; L209-V211 HydrophobicContact CD2-CG2 4.5Å; L209-V211 HydrophobicContact CG-CG2 4.46Å; L209-I242 HydrophobicContact CD2-CD1 4.25Å; L209-I242 HydrophobicContact CD2-CG2 4.06Å; L209-Q271 WeakPolarHBondContact O-CA 3.31Å; L209-V272 PolarHBondContact N-O 3.34Å; L209-V272 PolarHBondContact O-N 2.99Å; L209-I377 HydrophobicContact CD1-CG1 4.35Å |
| 210 | R | 94.6 | Very high | 81.1 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.7 | 172.2 | -65.2 | -174.5 | -176.9 | -146.5 | -3.5 | 110.2 | I186 S187 E208 E212 F270 Q271 | I186-R210 WeakPolarHBondContact CA-O 3.28Å; S187-R210 PolarHBondContact N-O 3.31Å; S187-R210 PolarHBondContact O-N 2.86Å; E208-R210 IonicContact OE1-CZ 3.92Å; E208-R210 IonicContact OE1-NE 3.75Å; E208-R210 PolarHBondContact OE1-NE 2.92Å; E208-R210 IonicContact OE1-NH2 3.17Å; E208-R210 PolarHBondContact OE1-NH2 3.39Å; R210-E212 HydrophobicContact CB-CG 4.47Å; R210-F270 WeakPolarHBondContact CA-O 3.46Å; R210-Q271 HydrophobicContact CG-CB 4.47Å; R210-Q271 HydrophobicContact CG-CG 4.17Å |
| 211 | V | 95.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 102.7 | 171 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | I184 F185 I186 L209 F233 L240 I242 G269 F270 V284 | I184-V211 HydrophobicContact CG2-CG1 4.18Å; F185-V211 WeakPolarHBondContact O-CA 3.47Å; I186-V211 HydrophobicContact CG1-CG2 4.49Å; L209-V211 HydrophobicContact CD2-CG2 4.5Å; L209-V211 HydrophobicContact CG-CG2 4.46Å; V211-F233 HydrophobicContact CG1-CE1 4.17Å; V211-F233 HydrophobicContact CG1-CZ 4.19Å; V211-L240 HydrophobicContact CG1-CD1 4.3Å; V211-I242 HydrophobicContact CG2-CD1 4.4Å; V211-G269 CarbonylContact O-C 3.57Å; V211-G269 WeakPolarHBondContact O-CA 3.38Å; V211-F270 PolarHBondContact N-O 2.87Å; V211-F270 PolarHBondContact O-N 3.11Å; V211-V284 HydrophobicContact CG2-CG1 4.41Å; V211-V284 HydrophobicContact CG2-CG2 4.42Å |
| 212 | E | 94.9 | Very high | 80.9 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 162.5 | -178.9 | -59.4 | -175.8 | 167.4 | 0 | 0 | 109.9 | I184 F185 R210 D268 | I184-E212 CarbonylContact C-O 3.59Å; I184-E212 WeakPolarHBondContact CA-O 3.48Å; F185-E212 HydrophobicContact CB-CB 4.4Å; F185-E212 PolarHBondContact N-O 3.25Å; F185-E212 PolarHBondContact O-N 3.48Å; R210-E212 HydrophobicContact CB-CG 4.47Å; E212-D268 WeakPolarHBondContact CA-O 3.42Å |
| 213 | G | 93.6 | Very high | 80.1 | Confident | 8 Ų | 8 | 69 Ų | 69 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 159 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R183 D268 | R183-G213 CarbonylContact O-C 3.29Å; R183-G213 WeakPolarHBondContact O-CA 3.35Å; G213-D268 PolarHBondContact N-O 2.85Å |
| 214 | R | 91.7 | Very high | 78.9 | Confident | 152 Ų | 152 | 76.1 Ų | 76.1 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 129.7 | -175.3 | -177.6 | 174.2 | 172.1 | 174.8 | -3 | 110.5 | R183 F185 L216 | R183-R214 PolarHBondContact N-O 3.43Å; R183-R214 PolarHBondContact O-N 3.15Å; F185-R214 HydrophobicContact CE2-CB 4.21Å; R214-L216 PolarHBondContact O-N 2.99Å |
| 215 | L | 90.7 | Very high | 77.2 | Confident | 38 Ų | 38 | 75.9 Ų | 75.9 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126 | 172.1 | -165.9 | 70.6 | 0 | 0 | 0 | 109.1 | R180 L182 E217 F236 V394 V396 | R180-L215 HydrophobicContact CB-CD1 3.81Å; R180-L215 HydrophobicContact CB-CG 4.44Å; L182-L215 HydrophobicContact CB-CD1 4.4Å; L182-L215 HydrophobicContact CD1-CB 4.44Å; L215-E217 PolarHBondContact O-N 2.81Å; L215-F236 HydrophobicContact CD1-CE1 4.5Å; L215-F236 HydrophobicContact CD1-CZ 4.04Å; L215-F236 HydrophobicContact CD2-CZ 4.39Å; L215-V394 HydrophobicContact CD1-CG2 3.68Å; L215-V396 HydrophobicContact CD1-CG2 4.42Å; L215-V396 HydrophobicContact CD2-CG2 4.25Å |
| 216 | L | 87.8 | Confident | 75.2 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 120.6 | 174.7 | -60.1 | -178.3 | 0 | 0 | 0 | 108.7 | K181 R183 R214 | K181-L216 HydrophobicContact CB-CB 4.26Å; K181-L216 HydrophobicContact CB-CD1 3.88Å; K181-L216 HydrophobicContact CB-CG 4.35Å; K181-L216 WeakPolarHBondContact O-CB 3.3Å; K181-L216 PolarHBondContact O-N 3.18Å; R183-L216 HydrophobicContact CB-CD1 4.3Å; R183-L216 HydrophobicContact CB-CD2 3.97Å; R183-L216 HydrophobicContact CB-CG 4.07Å; R214-L216 PolarHBondContact O-N 2.99Å |
| 217 | E | 77 | Confident | 73.1 | Confident | 93 Ų | 93 | 85.8 Ų | 85.8 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 140.8 | 172.9 | -72.2 | 173.2 | -144.6 | 0 | 0 | 109.7 | L215 T219 S222 K230 | L215-E217 PolarHBondContact O-N 2.81Å; E217-T219 PolarHBondContact O-N 3.02Å; E217-S222 PolarHBondContact OE2-OG 2.76Å; E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 3.92Å; E217-K230 PolarHBondContact OE1-NZ 3.17Å |
| 218 | D | 64.8 | Low | 71.4 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 116.2 | 175.8 | -150.4 | -18 | 0 | 0 | 0 | 109 | R180 A220 V221 | R180-D218 IonicContact NH1-OD2 3.65Å; D218-A220 PolarHBondContact O-N 3.28Å; D218-V221 PolarHBondContact O-N 3.37Å |
| 219 | T | 57.6 | Low | 69.7 | Low | 141 Ų | 141 | 100.2 Ų | 100.2 | 87% | 0.865 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.2 | -165 | -20.5 | 0 | 0 | 0 | 0 | 112.9 | E217 | E217-T219 PolarHBondContact O-N 3.02Š|
| 220 | A | 56.2 | Low | 68.7 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D218 | D218-A220 PolarHBondContact O-N 3.28Š|
| 221 | V | 55.8 | Low | 68.3 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 72% | 0.715 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -14.5 | -170.7 | -170 | 0 | 0 | 0 | 0 | 113.8 | D218 K223 | D218-V221 PolarHBondContact O-N 3.37Å; V221-K223 PolarHBondContact O-N 3.48Å |
| 222 | S | 49.3 | Very low | 68.1 | Low | 56 Ų | 56 | 111.3 Ų | 111.3 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | 67.1 | -162.9 | -55.4 | 0 | 0 | 0 | 0 | 115.3 | E217 | E217-S222 PolarHBondContact OE2-OG 2.76Š|
| 223 | K | 48.9 | Very low | 68.1 | Low | 198 Ų | 198 | 107.5 Ų | 107.5 | 86% | 0.861 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -9.9 | 157.9 | -83.4 | -170.1 | 179.9 | -179.6 | 0 | 115.2 | V221 | V221-K223 PolarHBondContact O-N 3.48Š|
| 224 | Y | 52 | Low | 68.1 | Low | 225 Ų | 225 | 107.1 Ų | 107.1 | 88% | 0.882 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -114.9 | -7.8 | -176.2 | -78.5 | -85.3 | 0 | 0 | 0 | 115.6 | ||
| 225 | E | 49.4 | Very low | 68.1 | Low | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | trans | -125.5 | 31.3 | -175.2 | -70.3 | -151 | 135.1 | 0 | 0 | 115 | T227 K228 | E225-T227 PolarHBondContact O-N 3.38Å; E225-K228 IonicContact OE1-NZ 3.65Å; E225-K228 PolarHBondContact OE1-NZ 2.96Å | ||
| 226 | A | 48.2 | Very low | 68.3 | Low | 91 Ų | 91 | 99.2 Ų | 99.2 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 227 | T | 47.7 | Very low | 68.6 | Low | 141 Ų | 141 | 96.7 Ų | 96.7 | 87% | 0.865 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.1 | -170.1 | -25.7 | 0 | 0 | 0 | 0 | 114.3 | E225 | E225-T227 PolarHBondContact O-N 3.38Š|
| 228 | K | 56.5 | Low | 69.4 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -86.2 | 130.9 | 175.7 | -77.6 | 176.2 | -179.6 | 165 | 0 | 110.1 | E225 K230 | E225-K228 IonicContact OE1-NZ 3.65Å; E225-K228 PolarHBondContact OE1-NZ 2.96Å; K228-K230 PolarHBondContact O-N 2.98Å |
| 229 | Q | 56.3 | Low | 70.9 | Confident | 197 Ų | 197 | 94.4 Ų | 94.4 | 92% | 0.921 | 49% | 0.486 | S | S | * | . | trans | -44.6 | 110.3 | 178.1 | -102.7 | 153.6 | -27.1 | 0 | 0 | 111.2 | R231 | Q229-R231 PolarHBondContact O-N 3.03Š| ||
| 230 | K | 73.7 | Confident | 72.7 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 129.3 | 173.3 | -67.4 | -175 | 178.9 | -166.4 | 0 | 108.2 | E217 K228 K232 | E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 3.92Å; E217-K230 PolarHBondContact OE1-NZ 3.17Å; K228-K230 PolarHBondContact O-N 2.98Å; K230-K232 PolarHBondContact O-N 3.25Å |
| 231 | R | 85.8 | Confident | 74.7 | Confident | 115 Ų | 115 | 84.1 Ų | 84.1 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.1 | 175 | -67.2 | -170.5 | 84.6 | -165.9 | 3.5 | 108.4 | Q229 F236 | Q229-R231 PolarHBondContact O-N 3.03Å; R231-F236 HydrophobicContact CB-CE2 4.08Å; R231-F236 HydrophobicContact CB-CZ 3.88Å |
| 232 | K | 92.1 | Very high | 76.6 | Confident | 87 Ų | 87 | 78.6 Ų | 78.6 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 150.2 | -178.2 | -66.7 | -64.8 | -178.2 | 173.6 | 0 | 111.4 | K230 S234 S235 E266 D268 | K230-K232 PolarHBondContact O-N 3.25Å; K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 2.95Å; K232-S235 VanDerWaalsContact O-CB 3.24Å; K232-S235 WeakPolarHBondContact O-CB 3.44Å; K232-S235 PolarHBondContact O-N 2.93Å; K232-S235 PolarHBondContact O-OG 3.34Å; K232-E266 HydrophobicContact CB-CB 3.68Å; K232-E266 HydrophobicContact CG-CB 3.82Å; K232-D268 WeakPolarHBondContact CA-OD1 3.47Å; K232-D268 VanDerWaalsContact CD-CG 3.45Å; K232-D268 VanDerWaalsContact CD-OD1 3.22Å; K232-D268 WeakPolarHBondContact CD-OD1 3.48Å; K232-D268 WeakPolarHBondContact CD-OD2 3.34Å; K232-D268 IonicContact NZ-OD2 2.8Å; K232-D268 PolarHBondContact NZ-OD2 2.96Å |
| 233 | F | 94.3 | Very high | 78.8 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.009 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -51.7 | -49.5 | 178.8 | 176.2 | -120.6 | 0 | 0 | 0 | 113 | L182 I184 V211 S235 F236 F237 T267 D268 F270 | L182-F233 HydrophobicContact CD1-CD2 4.33Å; L182-F233 HydrophobicContact CD2-CD2 4.16Å; L182-F233 HydrophobicContact CD2-CE2 4.16Å; I184-F233 HydrophobicContact CG1-CE2 3.86Å; I184-F233 HydrophobicContact CG1-CZ 4.29Å; I184-F233 HydrophobicContact CG2-CZ 4.45Å; V211-F233 HydrophobicContact CG1-CE1 4.17Å; V211-F233 HydrophobicContact CG1-CZ 4.19Å; F233-S235 PolarHBondContact O-N 3.19Å; F233-S235 VanDerWaalsContact O-N 3.1Å; F233-F236 WeakPolarHBondContact O-CD2 3.46Å; F233-F236 PolarHBondContact O-N 3.02Å; F233-F237 AromaticContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CZ 4.48Å; F233-F237 HydrophobicContact CE1-CE2 4.22Å; F233-F237 HydrophobicContact CE2-CD2 4.31Å; F233-F237 AromaticContact CE2-CE2 3.25Å; F233-F237 HydrophobicContact CE2-CE2 3.25Å; F233-F237 AromaticContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CG-CE2 4.36Å; F233-F237 HydrophobicContact CZ-CD2 4.32Å; F233-F237 AromaticContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CZ 4Å; F233-F237 VanDerWaalsContact O-CD2 3.31Å; F233-F237 WeakPolarHBondContact O-CD2 3.39Å; F233-F237 WeakPolarHBondContact O-CE2 3.25Å; F233-T267 PolarHBondContact N-O 2.91Å; F233-D268 VanDerWaalsContact CB-C 3.48Å; F233-D268 VanDerWaalsContact CB-O 3.26Å; F233-D268 WeakPolarHBondContact CB-O 3.48Å; F233-D268 PolarHBondContact N-OD1 2.71Å; F233-F270 HydrophobicContact CD1-CD2 4.26Å; F233-F270 HydrophobicContact CD1-CE2 4.1Å; F233-F270 HydrophobicContact CE1-CD2 4.04Å; F233-F270 HydrophobicContact CE1-CE2 4.06Å |
| 234 | S | 94.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.1 | -28.2 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | K232 F236 F237 R260 E266 T267 | K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 2.95Å; S234-F236 PolarHBondContact O-N 2.81Å; S234-F237 PolarHBondContact O-N 3.01Å; S234-R260 PolarHBondContact O-NH2 3.5Å; S234-E266 VanDerWaalsContact C-OE2 3.29Å; S234-E266 WeakPolarHBondContact CB-OE2 3.34Å; S234-E266 WeakPolarHBondContact OG-CA 3.36Å; S234-E266 PolarHBondContact OG-OE2 3.45Å; S234-T267 PolarHBondContact N-O 3.34Å; S234-T267 PolarHBondContact OG-N 3.02Å; S234-T267 PolarHBondContact OG-O 3.48Å |
| 235 | S | 92.4 | Very high | 82.8 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.7 | -13.8 | -175.3 | 79.5 | 0 | 0 | 0 | 0 | 115.1 | K232 F233 E266 | K232-S235 VanDerWaalsContact O-CB 3.24Å; K232-S235 WeakPolarHBondContact O-CB 3.44Å; K232-S235 PolarHBondContact O-N 2.93Å; K232-S235 PolarHBondContact O-OG 3.34Å; F233-S235 PolarHBondContact O-N 3.19Å; F233-S235 VanDerWaalsContact O-N 3.1Å; S235-E266 VanDerWaalsContact CA-OE2 3.25Å; S235-E266 WeakPolarHBondContact CA-OE2 3.33Å; S235-E266 PolarHBondContact N-OE2 3.3Å |
| 236 | F | 93.7 | Very high | 84.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -94.8 | -9.3 | 178.8 | -62 | -79.7 | 0 | 0 | 0 | 113.6 | L182 L215 R231 F233 S234 L288 D289 V394 V396 | L182-F236 HydrophobicContact CD1-CD2 4.18Å; L182-F236 HydrophobicContact CD1-CE2 4.14Å; L182-F236 HydrophobicContact CD2-CB 4.04Å; L182-F236 HydrophobicContact CD2-CD2 3.84Å; L182-F236 HydrophobicContact CD2-CG 3.97Å; L215-F236 HydrophobicContact CD1-CE1 4.5Å; L215-F236 HydrophobicContact CD1-CZ 4.04Å; L215-F236 HydrophobicContact CD2-CZ 4.39Å; R231-F236 HydrophobicContact CB-CE2 4.08Å; R231-F236 HydrophobicContact CB-CZ 3.88Å; F233-F236 WeakPolarHBondContact O-CD2 3.46Å; F233-F236 PolarHBondContact O-N 3.02Å; S234-F236 PolarHBondContact O-N 2.81Å; F236-L288 WeakPolarHBondContact O-CA 3.45Å; F236-L288 WeakPolarHBondContact O-CD2 3.25Å; F236-D289 PolarHBondContact O-N 2.67Å; F236-V394 HydrophobicContact CD1-CB 3.92Å; F236-V394 HydrophobicContact CD1-CG1 4.22Å; F236-V394 HydrophobicContact CD1-CG2 3.91Å; F236-V394 HydrophobicContact CE1-CB 4.24Å; F236-V394 HydrophobicContact CE1-CG2 3.76Å; F236-V394 HydrophobicContact CZ-CG2 4.43Å; F236-V396 HydrophobicContact CE1-CG2 4.16Å |
| 237 | F | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.9 | -172.5 | -53.8 | -81.3 | 0 | 0 | 0 | 111.6 | L182 F233 S234 W258 R260 L286 M287 L288 I392 | L182-F237 HydrophobicContact CD2-CE2 3.87Å; L182-F237 HydrophobicContact CD2-CZ 3.73Å; F233-F237 AromaticContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CZ 4.48Å; F233-F237 HydrophobicContact CE1-CE2 4.22Å; F233-F237 HydrophobicContact CE2-CD2 4.31Å; F233-F237 AromaticContact CE2-CE2 3.25Å; F233-F237 HydrophobicContact CE2-CE2 3.25Å; F233-F237 AromaticContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CG-CE2 4.36Å; F233-F237 HydrophobicContact CZ-CD2 4.32Å; F233-F237 AromaticContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CZ 4Å; F233-F237 VanDerWaalsContact O-CD2 3.31Å; F233-F237 WeakPolarHBondContact O-CD2 3.39Å; F233-F237 WeakPolarHBondContact O-CE2 3.25Å; S234-F237 PolarHBondContact O-N 3.01Å; F237-W258 HydrophobicContact CB-CZ3 4.32Å; F237-R260 PolarHBondContact O-NE 3.4Å; F237-R260 PolarHBondContact O-NH2 3.49Å; F237-L286 HydrophobicContact CD1-CB 3.87Å; F237-L286 HydrophobicContact CD1-CD2 4.43Å; F237-L286 HydrophobicContact CE1-CB 3.69Å; F237-L286 HydrophobicContact CE1-CD1 4.19Å; F237-L286 HydrophobicContact CE1-CD2 4.31Å; F237-L286 HydrophobicContact CE1-CG 4.29Å; F237-L286 HydrophobicContact CZ-CD1 4.42Å; F237-M287 CarbonylContact C-O 3.1Å; F237-M287 VanDerWaalsContact CA-O 3.26Å; F237-M287 WeakPolarHBondContact CA-O 3.29Å; F237-M287 WeakPolarHBondContact CB-O 3.31Å; F237-L288 HydrophobicContact CD1-CD2 3.83Å; F237-L288 HydrophobicContact CD1-CG 4.45Å; F237-L288 HydrophobicContact CE1-CD2 3.55Å; F237-L288 HydrophobicContact CE1-CG 4.33Å; F237-L288 HydrophobicContact CZ-CD2 4.29Å; F237-I392 HydrophobicContact CE1-CD1 4.17Å; F237-I392 HydrophobicContact CZ-CD1 4.11Å |
| 238 | K | 94.5 | Very high | 88.7 | Confident | 129 Ų | 129 | 62.4 Ų | 62.4 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -37.1 | 171.4 | -178.7 | -179.3 | 176.7 | -174.3 | 0 | 110.3 | R260 M287 D289 | K238-R260 WeakPolarHBondContact O-CB 3.34Å; K238-R260 PolarHBondContact O-N 3.38Å; K238-M287 PolarHBondContact N-O 3.35Å; K238-D289 HydrophobicContact CB-CB 4.1Å |
| 239 | S | 95.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 159.3 | 174.8 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | W258 M287 | S239-W258 CarbonylContact C-O 3.56Å; S239-W258 WeakPolarHBondContact CA-O 3.14Å; S239-W258 WeakPolarHBondContact CB-O 3.37Å; S239-M287 PolarHBondContact N-O 3.13Å; S239-M287 WeakPolarHBondContact O-CB 3.38Å; S239-M287 PolarHBondContact O-N 2.95Å; S239-M287 WeakPolarHBondContact OG-CB 3.34Å; S239-M287 WeakPolarHBondContact OG-CE 3.38Å |
| 240 | L | 96.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.1 | 175.4 | 175.6 | 156.7 | 0 | 0 | 0 | 107.4 | V211 I242 W258 F270 L285 L286 | V211-L240 HydrophobicContact CG1-CD1 4.3Å; L240-I242 HydrophobicContact CD2-CD1 3.87Å; L240-I242 HydrophobicContact CD2-CG1 3.74Å; L240-W258 HydrophobicContact CB-CE3 4.18Å; L240-W258 PolarHBondContact N-O 3.36Å; L240-W258 PolarHBondContact O-N 3.33Å; L240-F270 HydrophobicContact CD1-CD2 3.56Å; L240-F270 HydrophobicContact CD1-CE2 3.84Å; L240-F270 HydrophobicContact CD1-CG 4.24Å; L240-L285 WeakPolarHBondContact CA-O 3.34Å; L240-L286 HydrophobicContact CB-CD2 4.29Å; L240-L286 HydrophobicContact CD1-CD2 3.47Å; L240-L286 VanDerWaalsContact CD1-CD2 3.47Å; L240-L286 HydrophobicContact CG-CD2 3.78Å |
| 241 | V | 96.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.3 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 108.6 | L255 V256 E257 L285 M287 | V241-L255 HydrophobicContact CG1-CD2 4.06Å; V241-V256 CarbonylContact C-O 3.55Å; V241-V256 WeakPolarHBondContact CA-O 3.4Å; V241-E257 HydrophobicContact CG1-CG 4.25Å; V241-E257 HydrophobicContact CG2-CB 4.14Å; V241-E257 HydrophobicContact CG2-CG 3.92Å; V241-L285 HydrophobicContact CB-CB 4.29Å; V241-L285 HydrophobicContact CG1-CD1 4.42Å; V241-L285 PolarHBondContact N-O 2.71Å; V241-L285 PolarHBondContact O-N 3.17Å; V241-M287 HydrophobicContact CB-CE 4.24Å; V241-M287 HydrophobicContact CG2-CE 3.62Å |
| 242 | I | 95.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.3 | 171.8 | -61.2 | 161.9 | 0 | 0 | 0 | 106.8 | L209 V211 L240 L244 V256 V272 C282 T283 V284 | L209-I242 HydrophobicContact CD2-CD1 4.25Å; L209-I242 HydrophobicContact CD2-CG2 4.06Å; V211-I242 HydrophobicContact CG2-CD1 4.4Å; L240-I242 HydrophobicContact CD2-CD1 3.87Å; L240-I242 HydrophobicContact CD2-CG1 3.74Å; I242-L244 HydrophobicContact CG2-CD2 3.94Å; I242-V256 HydrophobicContact CB-CB 4.32Å; I242-V256 PolarHBondContact N-O 3.11Å; I242-V256 PolarHBondContact O-N 3.19Å; I242-V272 HydrophobicContact CD1-CG2 3.73Å; I242-C282 HydrophobicContact CG2-CB 4.37Å; I242-T283 WeakPolarHBondContact CA-O 3.47Å; I242-V284 HydrophobicContact CG1-CG1 4.33Å; I242-V284 HydrophobicContact CG1-CG2 4.31Å |
| 243 | E | 95.7 | Very high | 92 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.9 | 173.7 | -176 | -178.1 | -179.4 | 0 | 0 | 108.8 | L255 C282 T283 L285 | E243-L255 HydrophobicContact CB-CD2 3.87Å; E243-L255 HydrophobicContact CG-CD2 3.92Å; E243-C282 CarbonylContact O-C 3.56Å; E243-C282 WeakPolarHBondContact O-CA 3.46Å; E243-C282 WeakPolarHBondContact O-CB 3.48Å; E243-T283 PolarHBondContact N-O 3.39Å; E243-T283 PolarHBondContact O-N 3.02Å; E243-L285 HydrophobicContact CB-CD1 4.46Å |
| 244 | L | 94.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 168.7 | 174.7 | -54.1 | 175.4 | 0 | 0 | 0 | 109.5 | W207 I242 K246 Y249 H254 R274 V280 C282 I377 | W207-L244 HydrophobicContact CH2-CD1 3.75Å; W207-L244 HydrophobicContact CH2-CD2 3.78Å; W207-L244 HydrophobicContact CH2-CG 4.45Å; W207-L244 HydrophobicContact CZ2-CD1 3.92Å; W207-L244 HydrophobicContact CZ2-CD2 4.23Å; I242-L244 HydrophobicContact CG2-CD2 3.94Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-K246 VanDerWaalsContact O-N 3.11Å; L244-Y249 HydrophobicContact CB-CD2 4.03Å; L244-Y249 HydrophobicContact CD1-CD2 4.11Å; L244-Y249 HydrophobicContact CD1-CE2 4.35Å; L244-Y249 HydrophobicContact CD1-CG 4.38Å; L244-H254 HydrophobicContact CB-CB 4.45Å; L244-H254 WeakPolarHBondContact CB-O 3.47Å; L244-H254 PolarHBondContact N-O 3.07Å; L244-R274 HydrophobicContact CD1-CG 4.43Å; L244-V280 HydrophobicContact CB-CG1 4.33Å; L244-V280 HydrophobicContact CD2-CG1 4.38Å; L244-C282 HydrophobicContact CD2-CB 3.64Å; L244-I377 HydrophobicContact CD2-CD1 4.35Å |
| 245 | D | 91.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 116.4 | 175.8 | -158.5 | -47.8 | 0 | 0 | 0 | 111.3 | D247 L248 Y249 V280 R281 | D245-D247 VanDerWaalsContact C-N 3.26Å; D245-D247 PolarHBondContact O-N 2.91Å; D245-D247 PolarHBondContact OD1-N 3.4Å; D245-D247 VanDerWaalsContact OD1-N 3.15Å; D245-L248 HydrophobicContact CB-CB 4.43Å; D245-L248 HydrophobicContact CB-CD1 4.13Å; D245-L248 PolarHBondContact O-N 3.45Å; D245-Y249 PolarHBondContact O-N 2.81Å; D245-V280 HydrophobicContact CB-CG1 4.35Å; D245-R281 PolarHBondContact N-O 2.94Å; D245-R281 IonicContact OD2-CZ 3.83Å; D245-R281 IonicContact OD2-NE 3.32Å; D245-R281 IonicContact OD2-NH2 2.7Å; D245-R281 PolarHBondContact OD2-NH2 3.09Å; D245-R281 VanDerWaalsContact OD2-NH2 3.17Å |
| 246 | K | 91.1 | Very high | 91.9 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -31.4 | -175 | -174.9 | 178.9 | 177.9 | -178.6 | 0 | 112.3 | L244 L248 G250 | L244-K246 PolarHBondContact O-N 2.88Å; L244-K246 VanDerWaalsContact O-N 3.11Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-G250 VanDerWaalsContact O-CA 3.23Å; K246-G250 WeakPolarHBondContact O-CA 3.27Å; K246-G250 PolarHBondContact O-N 3.05Å |
| 247 | D | 89.5 | Confident | 91.9 | Very high | 152 Ų | 152 | 59.5 Ų | 59.5 | 81% | 0.813 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -73.5 | -27.3 | -178.4 | -64.1 | -29.2 | 0 | 0 | 0 | 111.3 | D245 | D245-D247 VanDerWaalsContact C-N 3.26Å; D245-D247 PolarHBondContact O-N 2.91Å; D245-D247 PolarHBondContact OD1-N 3.4Å; D245-D247 VanDerWaalsContact OD1-N 3.15Å |
| 248 | L | 88.6 | Confident | 92 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.7 | -41.4 | 178.3 | -85.4 | 70.6 | 0 | 0 | 0 | 112.8 | D245 K246 V280 | D245-L248 HydrophobicContact CB-CB 4.43Å; D245-L248 HydrophobicContact CB-CD1 4.13Å; D245-L248 PolarHBondContact O-N 3.45Å; K246-L248 VanDerWaalsContact C-N 3.3Å; L248-V280 HydrophobicContact CD2-CG2 4.01Å |
| 249 | Y | 87.6 | Confident | 92 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -106.4 | -5 | -172 | -71.1 | -77.4 | 0 | 0 | 0 | 114.2 | W207 L244 D245 N253 R274 P275 V280 | W207-Y249 HydrophobicContact CZ2-CE2 4.16Å; W207-Y249 AromaticContact CZ2-CZ 3.92Å; W207-Y249 AromaticContact NE1-CZ 3.88Å; W207-Y249 PolarHBondContact NE1-OH 3.36Å; L244-Y249 HydrophobicContact CB-CD2 4.03Å; L244-Y249 HydrophobicContact CD1-CD2 4.11Å; L244-Y249 HydrophobicContact CD1-CE2 4.35Å; L244-Y249 HydrophobicContact CD1-CG 4.38Å; D245-Y249 PolarHBondContact O-N 2.81Å; Y249-N253 WeakPolarHBondContact O-CB 3.44Å; Y249-R274 HydrophobicContact CE1-CB 4.06Å; Y249-R274 HydrophobicContact CE1-CG 4.48Å; Y249-P275 PolarHBondContact OH-O 2.93Å; Y249-V280 HydrophobicContact CD2-CG1 4.48Å; Y249-V280 HydrophobicContact CE2-CG1 3.89Å; Y249-V280 HydrophobicContact CE2-CG2 3.89Å |
| 250 | G | 87.4 | Confident | 91.9 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | 71.3 | 174 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K246 D252 H254 | K246-G250 VanDerWaalsContact O-CA 3.23Å; K246-G250 WeakPolarHBondContact O-CA 3.27Å; K246-G250 PolarHBondContact O-N 3.05Å; G250-D252 VanDerWaalsContact C-N 3.25Å; G250-D252 PolarHBondContact O-N 3.27Å; G250-H254 WeakPolarHBondContact O-CB 3.42Å; G250-H254 PolarHBondContact O-N 3.04Å; G250-H254 PolarHBondContact O-ND1 3.37Å; G250-H254 VanDerWaalsContact O-ND1 3.09Å |
| 251 | P | 84.9 | Confident | 91.7 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.6 | -26 | -172.2 | 26.7 | -35 | 0 | 0 | 0 | 113.8 | H254 | P251-H254 VanDerWaalsContact C-ND1 3.35Å; P251-H254 PolarHBondContact O-CE1 2.88Å; P251-H254 PolarHBondContact O-ND1 3.24Å |
| 252 | D | 85.1 | Confident | 91.4 | Very high | 142 Ų | 142 | 71.2 Ų | 71.2 | 76% | 0.759 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -96.8 | -22.4 | -172.3 | -57.6 | -39.5 | 0 | 0 | 0 | 113.7 | G250 | G250-D252 VanDerWaalsContact C-N 3.25Å; G250-D252 PolarHBondContact O-N 3.27Å |
| 253 | N | 87.5 | Confident | 91.1 | Very high | 84 Ų | 84 | 77.2 Ų | 77.2 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -112.3 | -6 | -174.8 | -59 | -62.2 | 0 | 0 | 0 | 114.7 | Y249 L255 | Y249-N253 WeakPolarHBondContact O-CB 3.44Å; N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 3.12Å |
| 254 | H | 90.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 74.8 Ų | 74.8 | 9% | 0.088 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -73.8 | -15 | 179.5 | 76 | -63 | 0 | 0 | 0 | 114.1 | L244 G250 P251 | L244-H254 HydrophobicContact CB-CB 4.45Å; L244-H254 WeakPolarHBondContact CB-O 3.47Å; L244-H254 PolarHBondContact N-O 3.07Å; G250-H254 WeakPolarHBondContact O-CB 3.42Å; G250-H254 PolarHBondContact O-N 3.04Å; G250-H254 PolarHBondContact O-ND1 3.37Å; G250-H254 VanDerWaalsContact O-ND1 3.09Å; P251-H254 VanDerWaalsContact C-ND1 3.35Å; P251-H254 PolarHBondContact O-CE1 2.88Å; P251-H254 PolarHBondContact O-ND1 3.24Å |
| 255 | L | 93.9 | Very high | 90.8 | Very high | 66 Ų | 66 | 82.8 Ų | 82.8 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.2 | 179.8 | -69.4 | 168.2 | 0 | 0 | 0 | 111.5 | V241 E243 N253 | V241-L255 HydrophobicContact CG1-CD2 4.06Å; E243-L255 HydrophobicContact CB-CD2 3.87Å; E243-L255 HydrophobicContact CG-CD2 3.92Å; N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 3.12Å |
| 256 | V | 94.7 | Very high | 90.8 | Very high | 37 Ų | 37 | 84.8 Ų | 84.8 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.9 | 168.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | V241 I242 V272 | V241-V256 CarbonylContact C-O 3.55Å; V241-V256 WeakPolarHBondContact CA-O 3.4Å; I242-V256 HydrophobicContact CB-CB 4.32Å; I242-V256 PolarHBondContact N-O 3.11Å; I242-V256 PolarHBondContact O-N 3.19Å; V256-V272 HydrophobicContact CG1-CG2 3.97Å; V256-V272 HydrophobicContact CG2-CG1 4.03Å |
| 257 | E | 94.9 | Very high | 90.9 | Very high | 117 Ų | 117 | 81.5 Ų | 81.5 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.3 | -175.4 | -49.3 | -167.7 | 144.6 | 0 | 0 | 111.4 | V241 H259 | V241-E257 HydrophobicContact CG1-CG 4.25Å; V241-E257 HydrophobicContact CG2-CB 4.14Å; V241-E257 HydrophobicContact CG2-CG 3.92Å; E257-H259 IonicContact OE2-CE1 3.57Å; E257-H259 PolarHBondContact OE2-CE1 2.83Å |
| 258 | W | 95.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 77.8 Ų | 77.8 | 17% | 0.17 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.8 | 168.9 | 175.4 | 85.5 | 0 | 0 | 0 | 109.3 | F237 S239 L240 R260 T264 F270 | F237-W258 HydrophobicContact CB-CZ3 4.32Å; S239-W258 CarbonylContact C-O 3.56Å; S239-W258 WeakPolarHBondContact CA-O 3.14Å; S239-W258 WeakPolarHBondContact CB-O 3.37Å; L240-W258 HydrophobicContact CB-CE3 4.18Å; L240-W258 PolarHBondContact N-O 3.36Å; L240-W258 PolarHBondContact O-N 3.33Å; W258-R260 HydrophobicContact CH2-CB 3.99Å; W258-R260 HydrophobicContact CZ3-CB 4.35Å; W258-T264 HydrophobicContact CZ2-CG2 3.56Å; W258-F270 HydrophobicContact CB-CE1 4.22Å; W258-F270 AromaticContact CD1-CE1 3.65Å; W258-F270 AromaticContact CD2-CE1 3.59Å; W258-F270 HydrophobicContact CD2-CE1 3.59Å; W258-F270 AromaticContact CD2-CZ 3.56Å; W258-F270 HydrophobicContact CD2-CZ 3.56Å; W258-F270 AromaticContact CE2-CE1 3.68Å; W258-F270 AromaticContact CE2-CZ 3.69Å; W258-F270 HydrophobicContact CE3-CE1 4.24Å; W258-F270 AromaticContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CG-CD1 4.38Å; W258-F270 AromaticContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CZ 4.03Å; W258-F270 HydrophobicContact CH2-CZ 4.16Å; W258-F270 HydrophobicContact CZ2-CE1 4.33Å; W258-F270 AromaticContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ3-CZ 4.07Å; W258-F270 AromaticContact NE1-CE1 3.7Å |
| 259 | H | 95.4 | Very high | 91.3 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.6 | 178.4 | -69.5 | 92.8 | 0 | 0 | 0 | 109.7 | E257 T261 | E257-H259 IonicContact OE2-CE1 3.57Å; E257-H259 PolarHBondContact OE2-CE1 2.83Å; H259-T261 PolarHBondContact O-N 3.4Å |
| 260 | R | 93.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | trans | -66.6 | 128.6 | 172.9 | 176 | -172.6 | -73.5 | -79.8 | -37 | 110 | S234 F237 K238 W258 E266 D289 | S234-R260 PolarHBondContact O-NH2 3.5Å; F237-R260 PolarHBondContact O-NE 3.4Å; F237-R260 PolarHBondContact O-NH2 3.49Å; K238-R260 WeakPolarHBondContact O-CB 3.34Å; K238-R260 PolarHBondContact O-N 3.38Å; W258-R260 HydrophobicContact CH2-CB 3.99Å; W258-R260 HydrophobicContact CZ3-CB 4.35Å; R260-E266 IonicContact CZ-OE1 2.79Å; R260-E266 VanDerWaalsContact CZ-OE1 3.23Å; R260-E266 IonicContact CZ-OE2 3.71Å; R260-E266 IonicContact NH1-OE1 3.45Å; R260-E266 PolarHBondContact NH1-OE1 2.98Å; R260-E266 IonicContact NH1-OE2 3.89Å; R260-E266 VanDerWaalsContact NH2-CD 3.32Å; R260-E266 IonicContact NH2-OE1 2.7Å; R260-E266 PolarHBondContact NH2-OE1 3.06Å; R260-E266 IonicContact NH2-OE2 2.77Å; R260-E266 PolarHBondContact NH2-OE2 3.2Å; R260-D289 IonicContact NE-OD2 3.76Å | ||
| 261 | T | 92.6 | Very high | 92 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | trans | -121 | 167 | 169.4 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | H259 T263 T264 | H259-T261 PolarHBondContact O-N 3.4Å; T261-T263 PolarHBondContact O-N 3.29Å; T261-T263 VanDerWaalsContact O-N 3.08Å; T261-T263 PolarHBondContact OG1-OG1 3.09Å; T261-T264 PolarHBondContact N-OG1 2.91Å; T261-T264 WeakPolarHBondContact O-CB 3.38Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 PolarHBondContact O-OG1 3.23Å; T261-T264 PolarHBondContact OG1-OG1 3.2Å | ||
| 262 | A | 88.8 | Confident | 92.4 | Very high | 116 Ų | 116 | 75.3 Ų | 75.3 | 96% | 0.959 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 263 | T | 91 | Very high | 92.8 | Very high | 128 Ų | 128 | 74.4 Ų | 74.4 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 4.5 | -179.4 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | T261 Q265 | T261-T263 PolarHBondContact O-N 3.29Å; T261-T263 VanDerWaalsContact O-N 3.08Å; T261-T263 PolarHBondContact OG1-OG1 3.09Å; T263-Q265 PolarHBondContact O-N 3.35Å |
| 264 | T | 90.8 | Very high | 93 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 128.8 | -176.8 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | W258 T261 | W258-T264 HydrophobicContact CZ2-CG2 3.56Å; T261-T264 PolarHBondContact N-OG1 2.91Å; T261-T264 WeakPolarHBondContact O-CB 3.38Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 PolarHBondContact O-OG1 3.23Å; T261-T264 PolarHBondContact OG1-OG1 3.2Å |
| 265 | Q | 91.8 | Very high | 93.1 | Very high | 172 Ų | 172 | 77 Ų | 77 | 80% | 0.804 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 130.2 | 170.6 | -67.9 | -172.4 | 10.5 | 0 | 0 | 109.9 | T263 | T263-Q265 PolarHBondContact O-N 3.35Š|
| 266 | E | 92.2 | Very high | 92.8 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 135.9 | -177.8 | -57.4 | -69.9 | 178.2 | 0 | 0 | 111.9 | K232 S234 S235 R260 | K232-E266 HydrophobicContact CB-CB 3.68Å; K232-E266 HydrophobicContact CG-CB 3.82Å; S234-E266 VanDerWaalsContact C-OE2 3.29Å; S234-E266 WeakPolarHBondContact CB-OE2 3.34Å; S234-E266 WeakPolarHBondContact OG-CA 3.36Å; S234-E266 PolarHBondContact OG-OE2 3.45Å; S235-E266 VanDerWaalsContact CA-OE2 3.25Å; S235-E266 WeakPolarHBondContact CA-OE2 3.33Å; S235-E266 PolarHBondContact N-OE2 3.3Å; R260-E266 IonicContact CZ-OE1 2.79Å; R260-E266 VanDerWaalsContact CZ-OE1 3.23Å; R260-E266 IonicContact CZ-OE2 3.71Å; R260-E266 IonicContact NH1-OE1 3.45Å; R260-E266 PolarHBondContact NH1-OE1 2.98Å; R260-E266 IonicContact NH1-OE2 3.89Å; R260-E266 VanDerWaalsContact NH2-CD 3.32Å; R260-E266 IonicContact NH2-OE1 2.7Å; R260-E266 PolarHBondContact NH2-OE1 3.06Å; R260-E266 IonicContact NH2-OE2 2.77Å; R260-E266 PolarHBondContact NH2-OE2 3.2Å |
| 267 | T | 93.3 | Very high | 92.4 | Very high | 51 Ų | 51 | 78.5 Ų | 78.5 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | trans | -126.6 | 159.5 | -176.5 | 86.4 | 0 | 0 | 0 | 0 | 111.1 | F233 S234 G269 | F233-T267 PolarHBondContact N-O 2.91Å; S234-T267 PolarHBondContact N-O 3.34Å; S234-T267 PolarHBondContact OG-N 3.02Å; S234-T267 PolarHBondContact OG-O 3.48Å; T267-G269 PolarHBondContact OG1-N 2.69Å; T267-G269 PolarHBondContact OG1-O 2.67Å | ||
| 268 | D | 92.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 77.1 Ų | 77.1 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -90 | -2.4 | 175 | -74.1 | -45.1 | 0 | 0 | 0 | 113.6 | E212 G213 K232 F233 | E212-D268 WeakPolarHBondContact CA-O 3.42Å; G213-D268 PolarHBondContact N-O 2.85Å; K232-D268 WeakPolarHBondContact CA-OD1 3.47Å; K232-D268 VanDerWaalsContact CD-CG 3.45Å; K232-D268 VanDerWaalsContact CD-OD1 3.22Å; K232-D268 WeakPolarHBondContact CD-OD1 3.48Å; K232-D268 WeakPolarHBondContact CD-OD2 3.34Å; K232-D268 IonicContact NZ-OD2 2.8Å; K232-D268 PolarHBondContact NZ-OD2 2.96Å; F233-D268 VanDerWaalsContact CB-C 3.48Å; F233-D268 VanDerWaalsContact CB-O 3.26Å; F233-D268 WeakPolarHBondContact CB-O 3.48Å; F233-D268 PolarHBondContact N-OD1 2.71Å |
| 269 | G | 93.5 | Very high | 91.9 | Very high | 24 Ų | 24 | 76.7 Ų | 76.7 | 25% | 0.247 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 168.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | V211 T267 | V211-G269 CarbonylContact O-C 3.57Å; V211-G269 WeakPolarHBondContact O-CA 3.38Å; T267-G269 PolarHBondContact OG1-N 2.69Å; T267-G269 PolarHBondContact OG1-O 2.67Å |
| 270 | F | 95 | Very high | 91.7 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.8 | 178.2 | -60.4 | -85.5 | 0 | 0 | 0 | 109.4 | R210 V211 F233 L240 W258 | R210-F270 WeakPolarHBondContact CA-O 3.46Å; V211-F270 PolarHBondContact N-O 2.87Å; V211-F270 PolarHBondContact O-N 3.11Å; F233-F270 HydrophobicContact CD1-CD2 4.26Å; F233-F270 HydrophobicContact CD1-CE2 4.1Å; F233-F270 HydrophobicContact CE1-CD2 4.04Å; F233-F270 HydrophobicContact CE1-CE2 4.06Å; L240-F270 HydrophobicContact CD1-CD2 3.56Å; L240-F270 HydrophobicContact CD1-CE2 3.84Å; L240-F270 HydrophobicContact CD1-CG 4.24Å; W258-F270 HydrophobicContact CB-CE1 4.22Å; W258-F270 AromaticContact CD1-CE1 3.65Å; W258-F270 AromaticContact CD2-CE1 3.59Å; W258-F270 HydrophobicContact CD2-CE1 3.59Å; W258-F270 AromaticContact CD2-CZ 3.56Å; W258-F270 HydrophobicContact CD2-CZ 3.56Å; W258-F270 AromaticContact CE2-CE1 3.68Å; W258-F270 AromaticContact CE2-CZ 3.69Å; W258-F270 HydrophobicContact CE3-CE1 4.24Å; W258-F270 AromaticContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CG-CD1 4.38Å; W258-F270 AromaticContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CZ 4.03Å; W258-F270 HydrophobicContact CH2-CZ 4.16Å; W258-F270 HydrophobicContact CZ2-CE1 4.33Å; W258-F270 AromaticContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ3-CZ 4.07Å; W258-F270 AromaticContact NE1-CE1 3.7Å |
| 271 | Q | 94.3 | Very high | 91.7 | Very high | 114 Ų | 114 | 76.9 Ų | 76.9 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.5 | -179.5 | -175.9 | -175.9 | -14.5 | 0 | 0 | 108.8 | E208 L209 R210 | E208-Q271 HydrophobicContact CG-CG 3.71Å; E208-Q271 WeakPolarHBondContact OE1-CG 3.35Å; E208-Q271 PolarHBondContact OE1-NE2 3.45Å; E208-Q271 PolarHBondContact OE2-NE2 3Å; E208-Q271 VanDerWaalsContact OE2-NE2 3.11Å; L209-Q271 WeakPolarHBondContact O-CA 3.31Å; R210-Q271 HydrophobicContact CG-CB 4.47Å; R210-Q271 HydrophobicContact CG-CG 4.17Å |
| 272 | V | 94.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.9 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | W207 E208 L209 I242 V256 R274 | W207-V272 HydrophobicContact CH2-CG1 4.44Å; W207-V272 HydrophobicContact CZ3-CG1 4.33Å; E208-V272 CarbonylContact C-O 3.54Å; E208-V272 WeakPolarHBondContact CA-O 3.46Å; L209-V272 PolarHBondContact N-O 3.34Å; L209-V272 PolarHBondContact O-N 2.99Å; I242-V272 HydrophobicContact CD1-CG2 3.73Å; V256-V272 HydrophobicContact CG1-CG2 3.97Å; V256-V272 HydrophobicContact CG2-CG1 4.03Å; V272-R274 HydrophobicContact CG1-CG 4.41Å |
| 273 | K | 93 | Very high | 92.1 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.5 | 177.4 | -174.8 | 178.5 | 179 | 178.7 | 0 | 109.9 | S206 W207 | S206-K273 WeakPolarHBondContact OG-CE 3.44Å; W207-K273 WeakPolarHBondContact O-CA 3.49Å; W207-K273 WeakPolarHBondContact O-CG 3.36Å |
| 274 | R | 92.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.1 | 175.9 | -65.1 | -66 | -168.8 | -168.4 | 4.9 | 110.7 | S206 W207 L244 Y249 V272 | S206-R274 VanDerWaalsContact CA-O 3.31Å; S206-R274 WeakPolarHBondContact CA-O 3.24Å; S206-R274 VanDerWaalsContact CB-O 3.31Å; S206-R274 WeakPolarHBondContact CB-O 3.46Å; W207-R274 HydrophobicContact CD2-CB 4.4Å; W207-R274 HydrophobicContact CH2-CB 3.87Å; W207-R274 HydrophobicContact CH2-CG 3.73Å; W207-R274 HydrophobicContact CZ2-CB 3.49Å; W207-R274 VanDerWaalsContact CZ2-CB 3.49Å; W207-R274 HydrophobicContact CZ2-CG 3.77Å; W207-R274 HydrophobicContact CZ3-CB 4.46Å; W207-R274 HydrophobicContact CZ3-CG 4.46Å; W207-R274 PolarHBondContact N-O 3.48Å; W207-R274 PolarHBondContact O-N 3.39Å; W207-R274 VanDerWaalsContact O-N 3.11Å; L244-R274 HydrophobicContact CD1-CG 4.43Å; Y249-R274 HydrophobicContact CE1-CB 4.06Å; Y249-R274 HydrophobicContact CE1-CG 4.48Å; V272-R274 HydrophobicContact CG1-CG 4.41Å |
| 275 | P | 90.5 | Very high | 92.6 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 150.2 | 170 | 30.4 | -34 | 0 | 0 | 0 | 110.9 | V204 A205 Y249 | V204-P275 HydrophobicContact CG1-CB 4.19Å; A205-P275 WeakPolarHBondContact O-CA 3.44Å; Y249-P275 PolarHBondContact OH-O 2.93Å |
| 276 | G | 88.1 | Confident | 92.8 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | trans | 151.7 | 146 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F190 A205 | F190-G276 WeakPolarHBondContact CE2-O 3.39Å; A205-G276 PolarHBondContact O-N 3.22Å | ||
| 277 | D | 87.3 | Confident | 93 | Very high | 116 Ų | 116 | 54 Ų | 54 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -119.5 | 3.3 | -179.2 | 61.9 | -22.2 | 0 | 0 | 0 | 112.9 | A205 | A205-D277 HydrophobicContact CB-CB 4.05Š|
| 278 | V | 90.4 | Very high | 93 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -109.5 | 149.4 | 177 | -175.9 | 0 | 0 | 0 | 0 | 110 | V280 | V278-V280 WeakPolarHBondContact O-CG2 3.49Š|
| 279 | G | 89.2 | Confident | 93 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | trans | -63.7 | 135 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I377 | G279-I377 CarbonylContact C-O 3.55Å; G279-I377 WeakPolarHBondContact CA-O 3.45Å | ||
| 280 | V | 91.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.3 | -173.7 | -176 | 0 | 0 | 0 | 0 | 109.7 | L244 D245 L248 Y249 V278 I377 | L244-V280 HydrophobicContact CB-CG1 4.33Å; L244-V280 HydrophobicContact CD2-CG1 4.38Å; D245-V280 HydrophobicContact CB-CG1 4.35Å; L248-V280 HydrophobicContact CD2-CG2 4.01Å; Y249-V280 HydrophobicContact CD2-CG1 4.48Å; Y249-V280 HydrophobicContact CE2-CG1 3.89Å; Y249-V280 HydrophobicContact CE2-CG2 3.89Å; V278-V280 WeakPolarHBondContact O-CG2 3.49Å; V280-I377 HydrophobicContact CB-CB 4.26Å; V280-I377 HydrophobicContact CB-CD1 4.23Å; V280-I377 PolarHBondContact N-O 3.2Å; V280-I377 WeakPolarHBondContact O-CB 3.28Å; V280-I377 PolarHBondContact O-N 2.89Å |
| 281 | R | 93.1 | Very high | 92.3 | Very high | 168 Ų | 168 | 58.8 Ų | 58.8 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.3 | 168.3 | -67.4 | -177.7 | -63.4 | 161 | 4.6 | 108.9 | D245 V376 | D245-R281 PolarHBondContact N-O 2.94Å; D245-R281 IonicContact OD2-CZ 3.83Å; D245-R281 IonicContact OD2-NE 3.32Å; D245-R281 IonicContact OD2-NH2 2.7Å; D245-R281 PolarHBondContact OD2-NH2 3.09Å; D245-R281 VanDerWaalsContact OD2-NH2 3.17Å; R281-V376 HydrophobicContact CG-CG2 4.23Å |
| 282 | C | 93.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.9 | 173.6 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | I242 E243 L244 H375 I377 | I242-C282 HydrophobicContact CG2-CB 4.37Å; E243-C282 CarbonylContact O-C 3.56Å; E243-C282 WeakPolarHBondContact O-CA 3.46Å; E243-C282 WeakPolarHBondContact O-CB 3.48Å; L244-C282 HydrophobicContact CD2-CB 3.64Å; C282-H375 PolarHBondContact N-O 3.46Å; C282-H375 PolarHBondContact O-N 3.35Å; C282-I377 HydrophobicContact CB-CD1 4.36Å |
| 283 | T | 95.9 | Very high | 92 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.5 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 107.8 | I242 E243 L285 I372 | I242-T283 WeakPolarHBondContact CA-O 3.47Å; E243-T283 PolarHBondContact N-O 3.39Å; E243-T283 PolarHBondContact O-N 3.02Å; T283-L285 HydrophobicContact CG2-CD1 3.81Å; T283-L285 HydrophobicContact CG2-CG 4.4Å; T283-I372 HydrophobicContact CG2-CG2 3.5Å |
| 284 | V | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.6 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | I186 V211 I242 L286 I373 | I186-V284 HydrophobicContact CD1-CG2 4.17Å; V211-V284 HydrophobicContact CG2-CG1 4.41Å; V211-V284 HydrophobicContact CG2-CG2 4.42Å; I242-V284 HydrophobicContact CG1-CG1 4.33Å; I242-V284 HydrophobicContact CG1-CG2 4.31Å; V284-L286 HydrophobicContact CG1-CD2 4.03Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; V284-I373 HydrophobicContact CB-CB 4.42Å; V284-I373 PolarHBondContact N-O 3.01Å; V284-I373 PolarHBondContact O-N 3.49Å |
| 285 | L | 96.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.7 | 176 | -62.5 | 88.1 | 0 | 0 | 0 | 109.2 | L240 V241 E243 T283 M287 P370 I371 | L240-L285 WeakPolarHBondContact CA-O 3.34Å; V241-L285 HydrophobicContact CB-CB 4.29Å; V241-L285 HydrophobicContact CG1-CD1 4.42Å; V241-L285 PolarHBondContact N-O 2.71Å; V241-L285 PolarHBondContact O-N 3.17Å; E243-L285 HydrophobicContact CB-CD1 4.46Å; T283-L285 HydrophobicContact CG2-CD1 3.81Å; T283-L285 HydrophobicContact CG2-CG 4.4Å; L285-M287 HydrophobicContact CB-SD 4.07Å; L285-P370 HydrophobicContact CB-CB 4.32Å; L285-P370 HydrophobicContact CD2-CG 4.16Å; L285-I371 WeakPolarHBondContact CA-O 3.4Å |
| 286 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.6 | -178.8 | -59.5 | 169.8 | 0 | 0 | 0 | 109.9 | I184 F237 L240 V284 P370 I371 I373 | I184-L286 HydrophobicContact CD1-CD1 3.51Å; I184-L286 HydrophobicContact CG1-CD1 4.49Å; F237-L286 HydrophobicContact CD1-CB 3.87Å; F237-L286 HydrophobicContact CD1-CD2 4.43Å; F237-L286 HydrophobicContact CE1-CB 3.69Å; F237-L286 HydrophobicContact CE1-CD1 4.19Å; F237-L286 HydrophobicContact CE1-CD2 4.31Å; F237-L286 HydrophobicContact CE1-CG 4.29Å; F237-L286 HydrophobicContact CZ-CD1 4.42Å; L240-L286 HydrophobicContact CB-CD2 4.29Å; L240-L286 HydrophobicContact CD1-CD2 3.47Å; L240-L286 VanDerWaalsContact CD1-CD2 3.47Å; L240-L286 HydrophobicContact CG-CD2 3.78Å; V284-L286 HydrophobicContact CG1-CD2 4.03Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; L286-P370 WeakPolarHBondContact O-CA 3.39Å; L286-I371 HydrophobicContact CB-CB 4.24Å; L286-I371 PolarHBondContact N-O 2.9Å; L286-I371 PolarHBondContact O-N 3.38Å; L286-I373 HydrophobicContact CD1-CD1 4.03Å |
| 287 | M | 95.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 21% | 0.207 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 105.9 | 178.7 | -72.4 | 67.1 | 82.7 | 0 | 0 | 108.9 | F237 K238 S239 V241 L285 P370 | F237-M287 CarbonylContact C-O 3.1Å; F237-M287 VanDerWaalsContact CA-O 3.26Å; F237-M287 WeakPolarHBondContact CA-O 3.29Å; F237-M287 WeakPolarHBondContact CB-O 3.31Å; K238-M287 PolarHBondContact N-O 3.35Å; S239-M287 PolarHBondContact N-O 3.13Å; S239-M287 WeakPolarHBondContact O-CB 3.38Å; S239-M287 PolarHBondContact O-N 2.95Å; S239-M287 WeakPolarHBondContact OG-CB 3.34Å; S239-M287 WeakPolarHBondContact OG-CE 3.38Å; V241-M287 HydrophobicContact CB-CE 4.24Å; V241-M287 HydrophobicContact CG2-CE 3.62Å; L285-M287 HydrophobicContact CB-SD 4.07Å; M287-P370 HydrophobicContact CG-CB 4.02Å; M287-P370 HydrophobicContact SD-CB 3.59Å; M287-P370 VanDerWaalsContact SD-CB 3.59Å |
| 288 | L | 93.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 142.1 | 178.9 | -74.5 | 172.5 | 0 | 0 | 0 | 112.2 | F236 F237 Y290 I371 I392 V394 | F236-L288 WeakPolarHBondContact O-CA 3.45Å; F236-L288 WeakPolarHBondContact O-CD2 3.25Å; F237-L288 HydrophobicContact CD1-CD2 3.83Å; F237-L288 HydrophobicContact CD1-CG 4.45Å; F237-L288 HydrophobicContact CE1-CD2 3.55Å; F237-L288 HydrophobicContact CE1-CG 4.33Å; F237-L288 HydrophobicContact CZ-CD2 4.29Å; L288-Y290 HydrophobicContact CB-CD2 4.16Å; L288-Y290 HydrophobicContact CB-CE2 3.72Å; L288-Y290 HydrophobicContact CD1-CE1 4.34Å; L288-Y290 HydrophobicContact CD1-CE2 4.41Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.47Å; L288-Y290 PolarHBondContact O-N 2.98Å; L288-I371 HydrophobicContact CD1-CD1 3.83Å; L288-I371 HydrophobicContact CG-CD1 4.11Å; L288-I392 HydrophobicContact CD2-CD1 4.15Å; L288-V394 HydrophobicContact CD2-CG1 4.06Å |
| 289 | D | 92.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | trans | -91.5 | 86.7 | 173.1 | -165.3 | 20.6 | 0 | 0 | 0 | 110.3 | F236 K238 R260 Q291 | F236-D289 PolarHBondContact O-N 2.67Å; K238-D289 HydrophobicContact CB-CB 4.1Å; R260-D289 IonicContact NE-OD2 3.76Å; D289-Q291 PolarHBondContact O-N 2.95Å | ||
| 290 | Y | 89.6 | Confident | 93.6 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | trans | -74.5 | 119.6 | 177.2 | -66.2 | -78.6 | 0 | 0 | 0 | 111 | L288 P292 P293 Q294 P368 | L288-Y290 HydrophobicContact CB-CD2 4.16Å; L288-Y290 HydrophobicContact CB-CE2 3.72Å; L288-Y290 HydrophobicContact CD1-CE1 4.34Å; L288-Y290 HydrophobicContact CD1-CE2 4.41Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.47Å; L288-Y290 PolarHBondContact O-N 2.98Å; Y290-P292 CarbonylContact C-O 3.6Å; Y290-P292 VanDerWaalsContact C-O 3.29Å; Y290-P292 CarbonylContact O-C 3.56Å; Y290-P293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q294 HydrophobicContact CD1-CB 4.15Å; Y290-Q294 HydrophobicContact CD1-CG 3.85Å; Y290-Q294 HydrophobicContact CD2-CB 4.16Å; Y290-Q294 HydrophobicContact CG-CB 3.83Å; Y290-Q294 HydrophobicContact CG-CG 3.9Å; Y290-P368 HydrophobicContact CD2-CB 4.24Å; Y290-P368 HydrophobicContact CD2-CG 3.89Å; Y290-P368 HydrophobicContact CE2-CB 3.73Å; Y290-P368 HydrophobicContact CE2-CG 3.9Å | ||
| 291 | Q | 85.6 | Confident | 93.8 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -124.2 | 102.8 | 177 | -169.4 | 66.1 | 2.5 | 0 | 0 | 111 | K177 D289 | K177-Q291 WeakPolarHBondContact CE-O 3.35Å; K177-Q291 PolarHBondContact NZ-O 3.34Å; D289-Q291 PolarHBondContact O-N 2.95Å |
| 292 | P | 89.2 | Confident | 93.9 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -76.2 | 162.9 | 8.6 | 32.3 | -36.7 | 0 | 0 | 0 | 114 | Y290 Q294 T311 | Y290-P292 CarbonylContact C-O 3.6Å; Y290-P292 VanDerWaalsContact C-O 3.29Å; Y290-P292 CarbonylContact O-C 3.56Å; P292-Q294 PolarHBondContact O-N 2.94Å; P292-T311 HydrophobicContact CG-CG2 3.77Å |
| 293 | P | 91.6 | Very high | 94 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 126.7 | -178.7 | -28.3 | 35.4 | 0 | 0 | 0 | 113 | Y290 F295 | Y290-P293 WeakPolarHBondContact O-CA 3.45Å; P293-F295 HydrophobicContact CB-CE2 4.15Å; P293-F295 HydrophobicContact CB-CZ 4.13Å |
| 294 | Q | 93.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 156.3 | 170.6 | -64.5 | -173.6 | 25.2 | 0 | 0 | 110 | Y290 P292 T309 Q310 T311 P368 | Y290-Q294 HydrophobicContact CD1-CB 4.15Å; Y290-Q294 HydrophobicContact CD1-CG 3.85Å; Y290-Q294 HydrophobicContact CD2-CB 4.16Å; Y290-Q294 HydrophobicContact CG-CB 3.83Å; Y290-Q294 HydrophobicContact CG-CG 3.9Å; P292-Q294 PolarHBondContact O-N 2.94Å; Q294-T309 HydrophobicContact CB-CG2 4.03Å; Q294-Q310 CarbonylContact C-O 3.55Å; Q294-Q310 WeakPolarHBondContact CA-O 3.49Å; Q294-T311 HydrophobicContact CG-CG2 3.8Å; Q294-P368 HydrophobicContact CB-CG 4.49Å; Q294-P368 VanDerWaalsContact O-CD 3.28Å; Q294-P368 WeakPolarHBondContact O-CD 3.37Å; Q294-P368 WeakPolarHBondContact O-CG 3.22Å |
| 295 | F | 95.1 | Very high | 93.8 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.8 | -177.6 | -60.2 | -87.6 | 0 | 0 | 0 | 109.3 | P293 T309 Q310 R312 L365 M366 | P293-F295 HydrophobicContact CB-CE2 4.15Å; P293-F295 HydrophobicContact CB-CZ 4.13Å; F295-T309 VanDerWaalsContact O-CA 3.29Å; F295-T309 WeakPolarHBondContact O-CA 3.41Å; F295-Q310 PolarHBondContact N-O 2.84Å; F295-Q310 PolarHBondContact O-N 2.81Å; F295-Q310 VanDerWaalsContact O-N 3.1Å; F295-R312 HydrophobicContact CD2-CB 4.34Å; F295-R312 HydrophobicContact CE2-CB 4.19Å; F295-L365 HydrophobicContact CB-CB 3.96Å; F295-L365 HydrophobicContact CB-CD1 4.48Å; F295-L365 HydrophobicContact CB-CD2 3.96Å; F295-L365 HydrophobicContact CB-CG 4.33Å; F295-L365 HydrophobicContact CD1-CB 4.03Å; F295-L365 HydrophobicContact CD2-CD1 4.36Å; F295-L365 HydrophobicContact CG-CB 4.07Å; F295-L365 HydrophobicContact CG-CD1 4.24Å; F295-M366 CarbonylContact C-O 3.5Å; F295-M366 WeakPolarHBondContact CA-O 3.31Å |
| 296 | K | 95.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.5 | 167.1 | 177.3 | 174.7 | 169.6 | 168.2 | 0 | 108.4 | M366 E369 | K296-M366 PolarHBondContact N-O 3.42Å; K296-M366 PolarHBondContact O-N 2.92Å; K296-E369 HydrophobicContact CD-CG 3.8Å; K296-E369 IonicContact NZ-OE1 3.18Å; K296-E369 PolarHBondContact NZ-OE1 3.28Å; K296-E369 IonicContact NZ-OE2 3.88Å; K296-E369 PolarHBondContact NZ-OE2 3.14Å |
| 297 | L | 96.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.1 | 179.5 | -70.3 | 72.6 | 0 | 0 | 0 | 110.2 | L301 A302 L305 I307 H308 I315 L365 | L297-L301 HydrophobicContact CD2-CD2 4.07Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD2 4.41Å; L297-A302 HydrophobicContact CB-CB 3.96Å; L297-L305 HydrophobicContact CD2-CD1 4.05Å; L297-I307 HydrophobicContact CD1-CG2 3.84Å; L297-I307 HydrophobicContact CD2-CB 4.21Å; L297-I307 HydrophobicContact CD2-CG2 4.16Å; L297-H308 WeakPolarHBondContact CD1-O 3.47Å; L297-H308 PolarHBondContact N-O 3.35Å; L297-I315 HydrophobicContact CD1-CD1 3.44Å; L297-I315 VanDerWaalsContact CD1-CD1 3.44Å; L297-I315 HydrophobicContact CD1-CG1 3.9Å; L297-I315 HydrophobicContact CD2-CD1 4.34Å; L297-I315 HydrophobicContact CD2-CG1 4.19Å; L297-I315 HydrophobicContact CD2-CG2 3.85Å; L297-I315 HydrophobicContact CG-CD1 3.94Å; L297-I315 HydrophobicContact CG-CG1 4.33Å; L297-I315 HydrophobicContact CG-CG2 4.39Å; L297-L365 HydrophobicContact CG-CD2 4.29Å |
| 298 | D | 95.3 | Very high | 93.5 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 136 | 163.6 | 175.6 | -87.5 | 0 | 0 | 0 | 110.4 | R300 L301 A302 L364 | D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 WeakPolarHBondContact OD1-CA 3.41Å; D298-R300 WeakPolarHBondContact OD1-CB 3.33Å; D298-R300 PolarHBondContact OD1-N 3.32Å; D298-L301 HydrophobicContact CB-CB 4.26Å; D298-L301 PolarHBondContact O-N 3.48Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.4Å; D298-L364 HydrophobicContact CB-CB 4.28Å; D298-L364 HydrophobicContact CB-CD2 4.24Å; D298-L364 PolarHBondContact N-O 3.03Å |
| 299 | P | 95.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.2 | -31.9 | -174.6 | -28.6 | 35.5 | 0 | 0 | 0 | 115.1 | R303 | P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 PolarHBondContact O-N 3.47Å; P299-R303 VanDerWaalsContact O-N 3.12Å |
| 300 | R | 94.7 | Very high | 93.6 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.1 | -44.4 | 179.7 | -55.9 | 165.8 | 71 | -164.7 | 6.8 | 110.1 | D298 M304 Q345 I346 | D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 WeakPolarHBondContact OD1-CA 3.41Å; D298-R300 WeakPolarHBondContact OD1-CB 3.33Å; D298-R300 PolarHBondContact OD1-N 3.32Å; R300-M304 PolarHBondContact O-N 3.02Å; R300-M304 VanDerWaalsContact O-N 3.14Å; R300-Q345 PolarHBondContact NH1-O 3.3Å; R300-Q345 PolarHBondContact NH2-O 3.24Å; R300-I346 HydrophobicContact CB-CD1 4.25Å; R300-I346 HydrophobicContact CB-CG1 3.95Å |
| 301 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174.5 | -176 | 63.3 | 0 | 0 | 0 | 111.5 | L297 D298 R303 M304 L305 I346 L361 L364 | L297-L301 HydrophobicContact CD2-CD2 4.07Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD2 4.41Å; D298-L301 HydrophobicContact CB-CB 4.26Å; D298-L301 PolarHBondContact O-N 3.48Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.41Å; L301-M304 HydrophobicContact CD1-CE 3.54Å; L301-M304 PolarHBondContact O-N 2.94Å; L301-L305 HydrophobicContact CD1-CD1 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.98Å; L301-L305 HydrophobicContact CG-CG 4.45Å; L301-L305 PolarHBondContact O-N 3.39Å; L301-I346 HydrophobicContact CB-CD1 4.45Å; L301-I346 HydrophobicContact CB-CG2 4.19Å; L301-I346 HydrophobicContact CD1-CD1 4.46Å; L301-I346 HydrophobicContact CD1-CG2 4.3Å; L301-L361 HydrophobicContact CD2-CD1 3.51Å; L301-L364 HydrophobicContact CD2-CB 4.2Å; L301-L364 HydrophobicContact CD2-CD1 4.27Å |
| 302 | A | 95.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L297 D298 G306 I307 | L297-A302 HydrophobicContact CB-CB 3.96Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.4Å; A302-G306 CarbonylContact O-C 3.57Å; A302-G306 WeakPolarHBondContact O-CA 3.38Å; A302-G306 PolarHBondContact O-N 3.37Å; A302-I307 WeakPolarHBondContact CA-O 3.5Å; A302-I307 WeakPolarHBondContact CB-O 3.26Å; A302-I307 PolarHBondContact O-N 2.87Å |
| 303 | R | 94.8 | Very high | 94.4 | Very high | 202 Ų | 202 | 56.8 Ų | 56.8 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 177.5 | -170.5 | -178.9 | -61.2 | 139 | 2.6 | 112.3 | P299 L301 | P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 PolarHBondContact O-N 3.47Å; P299-R303 VanDerWaalsContact O-N 3.12Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.41Å |
| 304 | M | 94.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 179.7 | 178.8 | -103.3 | -72.4 | 0 | 0 | 112.2 | R300 L301 L319 Y322 L343 I346 | R300-M304 PolarHBondContact O-N 3.02Å; R300-M304 VanDerWaalsContact O-N 3.14Å; L301-M304 HydrophobicContact CD1-CE 3.54Å; L301-M304 PolarHBondContact O-N 2.94Å; M304-L319 HydrophobicContact CE-CD1 4.37Å; M304-Y322 HydrophobicContact CG-CD2 4.15Å; M304-Y322 HydrophobicContact CG-CE2 3.79Å; M304-Y322 HydrophobicContact SD-CD1 4Å; M304-Y322 HydrophobicContact SD-CD2 3.76Å; M304-Y322 HydrophobicContact SD-CE1 4.17Å; M304-Y322 HydrophobicContact SD-CE2 3.93Å; M304-Y322 HydrophobicContact SD-CG 3.8Å; M304-L343 HydrophobicContact CE-CD2 3.46Å; M304-L343 VanDerWaalsContact CE-CD2 3.46Å; M304-L343 HydrophobicContact CE-CG 4.37Å; M304-I346 HydrophobicContact CB-CD1 4.38Å; M304-I346 HydrophobicContact CE-CD1 3.57Å |
| 305 | L | 94.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -86.5 | -13.5 | 179.5 | -62 | -177.7 | 0 | 0 | 0 | 113.9 | L297 L301 I307 I315 A318 L319 | L297-L305 HydrophobicContact CD2-CD1 4.05Å; L301-L305 HydrophobicContact CD1-CD1 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.98Å; L301-L305 HydrophobicContact CG-CG 4.45Å; L301-L305 PolarHBondContact O-N 3.39Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CB 4.35Å; L305-I307 HydrophobicContact CB-CD1 4.4Å; L305-I307 HydrophobicContact CB-CG1 4.36Å; L305-I315 HydrophobicContact CD1-CG2 4.11Å; L305-A318 HydrophobicContact CB-CB 4.48Å; L305-A318 HydrophobicContact CD1-CB 4.41Å; L305-A318 HydrophobicContact CD2-CB 4.37Å; L305-L319 HydrophobicContact CD1-CB 4.37Å; L305-L319 HydrophobicContact CD2-CB 4.3Å; L305-L319 HydrophobicContact CD2-CD1 4.37Å |
| 306 | G | 93.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 25.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A302 | A302-G306 CarbonylContact O-C 3.57Å; A302-G306 WeakPolarHBondContact O-CA 3.38Å; A302-G306 PolarHBondContact O-N 3.37Å |
| 307 | I | 93.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | trans | -126.5 | 119.1 | -173.4 | -65.5 | 176.6 | 0 | 0 | 0 | 109.7 | L297 A302 L305 Q310 A318 | L297-I307 HydrophobicContact CD1-CG2 3.84Å; L297-I307 HydrophobicContact CD2-CB 4.21Å; L297-I307 HydrophobicContact CD2-CG2 4.16Å; A302-I307 WeakPolarHBondContact CA-O 3.5Å; A302-I307 WeakPolarHBondContact CB-O 3.26Å; A302-I307 PolarHBondContact O-N 2.87Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CB 4.35Å; L305-I307 HydrophobicContact CB-CD1 4.4Å; L305-I307 HydrophobicContact CB-CG1 4.36Å; I307-Q310 HydrophobicContact CG2-CB 3.58Å; I307-Q310 HydrophobicContact CG2-CG 3.4Å; I307-A318 HydrophobicContact CD1-CB 3.33Å | ||
| 308 | H | 93.8 | Very high | 94.5 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -86.7 | -52.7 | 176.9 | -173.5 | 71 | 0 | 0 | 0 | 113 | L297 | L297-H308 WeakPolarHBondContact CD1-O 3.47Å; L297-H308 PolarHBondContact N-O 3.35Å |
| 309 | T | 93.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.8 | -179.1 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | Q294 F295 P368 | Q294-T309 HydrophobicContact CB-CG2 4.03Å; F295-T309 VanDerWaalsContact O-CA 3.29Å; F295-T309 WeakPolarHBondContact O-CA 3.41Å; T309-P368 HydrophobicContact CG2-CB 4.29Å; T309-P368 HydrophobicContact CG2-CG 4.38Å |
| 310 | Q | 93.9 | Very high | 94.5 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 172.3 | -179.3 | -88 | -58.1 | -23.1 | 0 | 0 | 112.4 | Q294 F295 I307 V314 I315 | Q294-Q310 CarbonylContact C-O 3.55Å; Q294-Q310 WeakPolarHBondContact CA-O 3.49Å; F295-Q310 PolarHBondContact N-O 2.84Å; F295-Q310 PolarHBondContact O-N 2.81Å; F295-Q310 VanDerWaalsContact O-N 3.1Å; I307-Q310 HydrophobicContact CG2-CB 3.58Å; I307-Q310 HydrophobicContact CG2-CG 3.4Å; Q310-V314 HydrophobicContact CB-CB 4.42Å; Q310-V314 HydrophobicContact CB-CG1 4.26Å; Q310-V314 HydrophobicContact CG-CG1 4.01Å; Q310-I315 HydrophobicContact CB-CD1 4.29Å; Q310-I315 HydrophobicContact CB-CG1 3.85Å; Q310-I315 WeakPolarHBondContact O-CD1 3.42Å |
| 311 | T | 93.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 148.6 | 172.3 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | P292 Q294 P313 V314 I315 | P292-T311 HydrophobicContact CG-CG2 3.77Å; Q294-T311 HydrophobicContact CG-CG2 3.8Å; T311-P313 VanDerWaalsContact C-CD 3.49Å; T311-V314 PolarHBondContact O-N 2.91Å; T311-V314 VanDerWaalsContact O-N 3.08Å; T311-V314 VanDerWaalsContact OG1-CG2 3.28Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.2Å; T311-I315 WeakPolarHBondContact O-CG1 3.43Å; T311-I315 PolarHBondContact O-N 2.84Å |
| 312 | R | 93.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 30% | 0.302 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -53 | -43 | 180 | -170.5 | 174.8 | -172.6 | 170.6 | 1.8 | 114.1 | F295 V314 I315 I316 P358 L365 | F295-R312 HydrophobicContact CD2-CB 4.34Å; F295-R312 HydrophobicContact CE2-CB 4.19Å; R312-V314 PolarHBondContact O-N 3.31Å; R312-I315 PolarHBondContact O-N 3.48Å; R312-I316 HydrophobicContact CG-CD1 4.04Å; R312-I316 WeakPolarHBondContact O-CG1 3.31Å; R312-I316 PolarHBondContact O-N 3.3Å; R312-P358 PolarHBondContact NH2-O 3.4Å; R312-L365 HydrophobicContact CB-CD1 4.49Å; R312-L365 HydrophobicContact CG-CD1 4.03Å |
| 313 | P | 93.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 176.5 | -23.9 | 35.4 | 0 | 0 | 0 | 113.5 | T311 I316 Q317 | T311-P313 VanDerWaalsContact C-CD 3.49Å; P313-I316 PolarHBondContact O-N 3.38Å; P313-Q317 WeakPolarHBondContact O-CB 3.35Å; P313-Q317 PolarHBondContact O-N 3.3Å |
| 314 | V | 93.8 | Very high | 94.7 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | Q310 T311 R312 Q317 A318 | Q310-V314 HydrophobicContact CB-CB 4.42Å; Q310-V314 HydrophobicContact CB-CG1 4.26Å; Q310-V314 HydrophobicContact CG-CG1 4.01Å; T311-V314 PolarHBondContact O-N 2.91Å; T311-V314 VanDerWaalsContact O-N 3.08Å; T311-V314 VanDerWaalsContact OG1-CG2 3.28Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.2Å; R312-V314 PolarHBondContact O-N 3.31Å; V314-Q317 PolarHBondContact O-N 3.06Å; V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 2.56Å |
| 315 | I | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.1 | -62.3 | 166.5 | 0 | 0 | 0 | 110.9 | L297 L305 Q310 T311 R312 Q317 A318 L319 L361 L365 | L297-I315 HydrophobicContact CD1-CD1 3.44Å; L297-I315 VanDerWaalsContact CD1-CD1 3.44Å; L297-I315 HydrophobicContact CD1-CG1 3.9Å; L297-I315 HydrophobicContact CD2-CD1 4.34Å; L297-I315 HydrophobicContact CD2-CG1 4.19Å; L297-I315 HydrophobicContact CD2-CG2 3.85Å; L297-I315 HydrophobicContact CG-CD1 3.94Å; L297-I315 HydrophobicContact CG-CG1 4.33Å; L297-I315 HydrophobicContact CG-CG2 4.39Å; L305-I315 HydrophobicContact CD1-CG2 4.11Å; Q310-I315 HydrophobicContact CB-CD1 4.29Å; Q310-I315 HydrophobicContact CB-CG1 3.85Å; Q310-I315 WeakPolarHBondContact O-CD1 3.42Å; T311-I315 WeakPolarHBondContact O-CG1 3.43Å; T311-I315 PolarHBondContact O-N 2.84Å; R312-I315 PolarHBondContact O-N 3.48Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.01Å; I315-A318 PolarHBondContact O-N 3.06Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 2.9Å; I315-L361 HydrophobicContact CG2-CD1 4.07Å; I315-L361 HydrophobicContact CG2-CD2 3.89Å; I315-L365 HydrophobicContact CD1-CD2 3.6Å |
| 316 | I | 95.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.5 | -68.9 | 169.7 | 0 | 0 | 0 | 110.7 | R312 P313 L319 W320 I357 L361 | R312-I316 HydrophobicContact CG-CD1 4.04Å; R312-I316 WeakPolarHBondContact O-CG1 3.31Å; R312-I316 PolarHBondContact O-N 3.3Å; P313-I316 PolarHBondContact O-N 3.38Å; I316-L319 PolarHBondContact O-N 3.1Å; I316-W320 WeakPolarHBondContact O-CB 3.4Å; I316-W320 PolarHBondContact O-N 3.01Å; I316-I357 HydrophobicContact CG1-CG2 4.45Å; I316-L361 HydrophobicContact CD1-CD2 4.41Å; I316-L361 HydrophobicContact CG1-CD2 3.67Å |
| 317 | Q | 95 | Very high | 95 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 177.1 | -173.6 | 177.7 | 2.1 | 0 | 0 | 112.1 | P313 V314 I315 W320 Q321 | P313-Q317 WeakPolarHBondContact O-CB 3.35Å; P313-Q317 PolarHBondContact O-N 3.3Å; V314-Q317 PolarHBondContact O-N 3.06Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.01Å; Q317-W320 WeakPolarHBondContact O-CB 3.36Å; Q317-W320 PolarHBondContact O-N 3.38Å; Q317-Q321 WeakPolarHBondContact O-CB 3.46Å; Q317-Q321 PolarHBondContact O-N 3.07Å |
| 318 | A | 95.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L305 I307 V314 I315 W320 Q321 Y322 | L305-A318 HydrophobicContact CB-CB 4.48Å; L305-A318 HydrophobicContact CD1-CB 4.41Å; L305-A318 HydrophobicContact CD2-CB 4.37Å; I307-A318 HydrophobicContact CD1-CB 3.33Å; V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 2.56Å; I315-A318 PolarHBondContact O-N 3.06Å; A318-W320 VanDerWaalsContact C-N 3.31Å; A318-W320 PolarHBondContact O-N 3.27Å; A318-Q321 WeakPolarHBondContact O-CB 3.41Å; A318-Q321 PolarHBondContact O-N 3.42Å; A318-Y322 PolarHBondContact O-N 3.35Å |
| 319 | L | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 172.7 | -178.8 | 65.1 | 0 | 0 | 0 | 111.5 | M304 L305 I315 I316 Q321 Y322 V323 L343 F347 I357 | M304-L319 HydrophobicContact CE-CD1 4.37Å; L305-L319 HydrophobicContact CD1-CB 4.37Å; L305-L319 HydrophobicContact CD2-CB 4.3Å; L305-L319 HydrophobicContact CD2-CD1 4.37Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 2.9Å; I316-L319 PolarHBondContact O-N 3.1Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.33Å; L319-Y322 WeakPolarHBondContact O-CB 3.46Å; L319-Y322 PolarHBondContact O-N 2.92Å; L319-V323 WeakPolarHBondContact O-CG2 3.37Å; L319-V323 PolarHBondContact O-N 2.89Å; L319-L343 HydrophobicContact CD1-CD2 3.7Å; L319-F347 HydrophobicContact CD1-CE2 4.12Å; L319-F347 HydrophobicContact CD2-CE2 4.14Å; L319-F347 HydrophobicContact CD2-CZ 3.9Å; L319-I357 HydrophobicContact CD2-CD1 4.46Å; L319-I357 HydrophobicContact CD2-CG2 3.63Å |
| 320 | W | 95.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.9 | 175.9 | -127.4 | 0 | 0 | 0 | 112.2 | I316 Q317 A318 Y322 V323 K324 F354 | I316-W320 WeakPolarHBondContact O-CB 3.4Å; I316-W320 PolarHBondContact O-N 3.01Å; Q317-W320 WeakPolarHBondContact O-CB 3.36Å; Q317-W320 PolarHBondContact O-N 3.38Å; A318-W320 VanDerWaalsContact C-N 3.31Å; A318-W320 PolarHBondContact O-N 3.27Å; W320-Y322 VanDerWaalsContact C-N 3.33Å; W320-Y322 PolarHBondContact O-N 3.38Å; W320-V323 HydrophobicContact CE3-CB 4.13Å; W320-V323 HydrophobicContact CE3-CG1 3.99Å; W320-V323 HydrophobicContact CZ3-CB 4.43Å; W320-V323 HydrophobicContact CZ3-CG1 3.79Å; W320-V323 PolarHBondContact O-N 3.34Å; W320-K324 HydrophobicContact CD2-CD 4.18Å; W320-K324 HydrophobicContact CD2-CG 4.05Å; W320-K324 HydrophobicContact CE3-CG 4.25Å; W320-K324 HydrophobicContact CH2-CD 4.43Å; W320-K324 HydrophobicContact CH2-CG 4Å; W320-K324 HydrophobicContact CZ2-CD 3.73Å; W320-K324 HydrophobicContact CZ2-CG 3.79Å; W320-K324 HydrophobicContact CZ3-CG 4.18Å; W320-K324 WeakPolarHBondContact O-CG 3.32Å; W320-K324 PolarHBondContact O-N 2.91Å; W320-F354 HydrophobicContact CE3-CD1 4.39Å; W320-F354 AromaticContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CE1 3.48Å; W320-F354 VanDerWaalsContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CZ 4.09Å; W320-F354 HydrophobicContact CH2-CE1 4.14Å; W320-F354 HydrophobicContact CH2-CZ 4.02Å; W320-F354 HydrophobicContact CZ3-CD1 4.31Å; W320-F354 AromaticContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE2 4.47Å; W320-F354 AromaticContact CZ3-CZ 3.31Å; W320-F354 HydrophobicContact CZ3-CZ 3.31Å |
| 321 | Q | 95.9 | Very high | 95.3 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.5 | -174.9 | 59.3 | 28.2 | 0 | 0 | 111.6 | Q317 A318 L319 K324 T325 | Q317-Q321 WeakPolarHBondContact O-CB 3.46Å; Q317-Q321 PolarHBondContact O-N 3.07Å; A318-Q321 WeakPolarHBondContact O-CB 3.41Å; A318-Q321 PolarHBondContact O-N 3.42Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.33Å; Q321-K324 PolarHBondContact O-N 3.44Å; Q321-T325 PolarHBondContact NE2-OG1 3.37Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.49Å; Q321-T325 PolarHBondContact O-OG1 2.9Å |
| 322 | Y | 96 | Very high | 95.4 | Very high | 26 Ų | 26 | 73 Ų | 73 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -52.4 | 172.7 | -177.8 | -91.4 | 0 | 0 | 0 | 111.2 | M304 A318 L319 W320 K324 T325 H326 L328 D340 L343 | M304-Y322 HydrophobicContact CG-CD2 4.15Å; M304-Y322 HydrophobicContact CG-CE2 3.79Å; M304-Y322 HydrophobicContact SD-CD1 4Å; M304-Y322 HydrophobicContact SD-CD2 3.76Å; M304-Y322 HydrophobicContact SD-CE1 4.17Å; M304-Y322 HydrophobicContact SD-CE2 3.93Å; M304-Y322 HydrophobicContact SD-CG 3.8Å; A318-Y322 PolarHBondContact O-N 3.35Å; L319-Y322 WeakPolarHBondContact O-CB 3.46Å; L319-Y322 PolarHBondContact O-N 2.92Å; W320-Y322 VanDerWaalsContact C-N 3.33Å; W320-Y322 PolarHBondContact O-N 3.38Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.49Å; Y322-T325 PolarHBondContact O-N 2.77Å; Y322-T325 VanDerWaalsContact O-N 3.13Å; Y322-H326 AromaticContact CD2-CD2 3.76Å; Y322-H326 AromaticContact CD2-NE2 3.81Å; Y322-H326 AromaticContact CE2-CD2 3.61Å; Y322-H326 AromaticContact CE2-CE1 3.88Å; Y322-H326 AromaticContact CE2-NE2 3.38Å; Y322-H326 WeakPolarHBondContact CE2-NE2 3.42Å; Y322-H326 AromaticContact CZ-CD2 3.85Å; Y322-H326 AromaticContact CZ-NE2 3.86Å; Y322-H326 PolarHBondContact O-CD2 3.14Å; Y322-H326 PolarHBondContact O-N 3.25Å; Y322-L328 HydrophobicContact CD1-CD1 4.2Å; Y322-L328 HydrophobicContact CE1-CD1 3.79Å; Y322-D340 PolarHBondContact OH-OD2 3.39Å; Y322-L343 HydrophobicContact CD1-CD1 4.19Å; Y322-L343 HydrophobicContact CD1-CG 4.44Å; Y322-L343 HydrophobicContact CE1-CD1 4.01Å; Y322-L343 HydrophobicContact CE1-CG 4.04Å |
| 323 | V | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 178.2 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | L319 W320 K327 L328 Q329 I337 L343 F354 | L319-V323 WeakPolarHBondContact O-CG2 3.37Å; L319-V323 PolarHBondContact O-N 2.89Å; W320-V323 HydrophobicContact CE3-CB 4.13Å; W320-V323 HydrophobicContact CE3-CG1 3.99Å; W320-V323 HydrophobicContact CZ3-CB 4.43Å; W320-V323 HydrophobicContact CZ3-CG1 3.79Å; W320-V323 PolarHBondContact O-N 3.34Å; V323-K327 PolarHBondContact O-N 3.48Å; V323-L328 HydrophobicContact CG1-CB 4.17Å; V323-L328 PolarHBondContact O-N 3.29Å; V323-Q329 HydrophobicContact CG1-CB 4.45Å; V323-I337 HydrophobicContact CG1-CG1 4.34Å; V323-I337 HydrophobicContact CG1-CG2 4.09Å; V323-I337 HydrophobicContact CG2-CD1 4.25Å; V323-I337 HydrophobicContact CG2-CG2 3.96Å; V323-L343 HydrophobicContact CG2-CD1 4.45Å; V323-F354 HydrophobicContact CG1-CE1 4.48Å; V323-F354 HydrophobicContact CG1-CZ 4.45Å |
| 324 | K | 95.6 | Very high | 95.5 | Very high | 118 Ų | 118 | 78 Ų | 78 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 177 | -76.6 | -175.4 | 66.9 | -176.8 | 0 | 112.6 | W320 Q321 Y322 H326 K327 | W320-K324 HydrophobicContact CD2-CD 4.18Å; W320-K324 HydrophobicContact CD2-CG 4.05Å; W320-K324 HydrophobicContact CE3-CG 4.25Å; W320-K324 HydrophobicContact CH2-CD 4.43Å; W320-K324 HydrophobicContact CH2-CG 4Å; W320-K324 HydrophobicContact CZ2-CD 3.73Å; W320-K324 HydrophobicContact CZ2-CG 3.79Å; W320-K324 HydrophobicContact CZ3-CG 4.18Å; W320-K324 WeakPolarHBondContact O-CG 3.32Å; W320-K324 PolarHBondContact O-N 2.91Å; Q321-K324 PolarHBondContact O-N 3.44Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.49Å; K324-H326 VanDerWaalsContact C-N 3.3Å; K324-H326 PolarHBondContact O-N 2.85Å; K324-K327 PolarHBondContact O-N 3Å |
| 325 | T | 96.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 80.4 Ų | 80.4 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | -177 | -56 | 0 | 0 | 0 | 0 | 110.9 | Q321 Y322 | Q321-T325 PolarHBondContact NE2-OG1 3.37Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.49Å; Q321-T325 PolarHBondContact O-OG1 2.9Å; Y322-T325 PolarHBondContact O-N 2.77Å; Y322-T325 VanDerWaalsContact O-N 3.13Å |
| 326 | H | 95.8 | Very high | 95.6 | Very high | 94 Ų | 94 | 82 Ų | 82 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3 | 179.3 | -70.2 | -104.4 | 0 | 0 | 0 | 113.8 | Y322 K324 L328 | Y322-H326 AromaticContact CD2-CD2 3.76Å; Y322-H326 AromaticContact CD2-NE2 3.81Å; Y322-H326 AromaticContact CE2-CD2 3.61Å; Y322-H326 AromaticContact CE2-CE1 3.88Å; Y322-H326 AromaticContact CE2-NE2 3.38Å; Y322-H326 WeakPolarHBondContact CE2-NE2 3.42Å; Y322-H326 AromaticContact CZ-CD2 3.85Å; Y322-H326 AromaticContact CZ-NE2 3.86Å; Y322-H326 PolarHBondContact O-CD2 3.14Å; Y322-H326 PolarHBondContact O-N 3.25Å; K324-H326 VanDerWaalsContact C-N 3.3Å; K324-H326 PolarHBondContact O-N 2.85Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 HydrophobicContact CB-CD1 3.88Å; H326-L328 HydrophobicContact CB-CD2 4.03Å; H326-L328 HydrophobicContact CB-CG 3.63Å; H326-L328 WeakPolarHBondContact O-CD2 3.3Å; H326-L328 PolarHBondContact O-N 3.38Å |
| 327 | K | 96.3 | Very high | 95.7 | Very high | 183 Ų | 183 | 79.7 Ų | 79.7 | 80% | 0.796 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43.3 | -179.8 | -56.2 | -179.3 | -177.6 | 179.6 | 0 | 113.1 | V323 K324 Q329 | V323-K327 PolarHBondContact O-N 3.48Å; K324-K327 PolarHBondContact O-N 3Å; K327-Q329 VanDerWaalsContact C-N 3.34Å |
| 328 | L | 95.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 76.4 Ų | 76.4 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | trans | -85.4 | -6.8 | -175.4 | -57.9 | -179.1 | 0 | 0 | 0 | 113.4 | Y322 V323 H326 I337 N338 D340 L343 | Y322-L328 HydrophobicContact CD1-CD1 4.2Å; Y322-L328 HydrophobicContact CE1-CD1 3.79Å; V323-L328 HydrophobicContact CG1-CB 4.17Å; V323-L328 PolarHBondContact O-N 3.29Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 HydrophobicContact CB-CD1 3.88Å; H326-L328 HydrophobicContact CB-CD2 4.03Å; H326-L328 HydrophobicContact CB-CG 3.63Å; H326-L328 WeakPolarHBondContact O-CD2 3.3Å; H326-L328 PolarHBondContact O-N 3.38Å; L328-I337 HydrophobicContact CB-CG2 4.02Å; L328-I337 CarbonylContact O-C 3.3Å; L328-I337 WeakPolarHBondContact O-CA 3.38Å; L328-N338 PolarHBondContact O-N 3.36Å; L328-D340 HydrophobicContact CD1-CB 4.06Å; L328-D340 HydrophobicContact CD2-CB 3.95Å; L328-L343 HydrophobicContact CD1-CD1 3.58Å | ||
| 329 | Q | 96.7 | Very high | 95.7 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 133.7 | 172.4 | -175.2 | 175.4 | 32.9 | 0 | 0 | 110 | V323 K327 R334 F354 | V323-Q329 HydrophobicContact CG1-CB 4.45Å; K327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-R334 PolarHBondContact NE2-O 2.8Å; Q329-F354 HydrophobicContact CB-CZ 4.45Å; Q329-F354 HydrophobicContact CG-CE2 4.11Å; Q329-F354 HydrophobicContact CG-CZ 4.1Å |
| 330 | D | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | trans | -66.4 | 129.4 | 178.5 | -167.7 | -57.3 | 0 | 0 | 0 | 110.9 | H332 E333 F336 N338 R351 | D330-H332 PolarHBondContact OD1-N 2.86Å; D330-E333 HydrophobicContact CB-CB 4.45Å; D330-E333 WeakPolarHBondContact CB-O 3.39Å; D330-E333 CarbonylContact O-C 3.58Å; D330-E333 PolarHBondContact OD1-N 3.16Å; D330-F336 HydrophobicContact CB-CB 4.29Å; D330-F336 PolarHBondContact N-O 2.88Å; D330-N338 PolarHBondContact OD2-ND2 2.98Å; D330-R351 IonicContact OD2-CZ 2.66Å; D330-R351 IonicContact OD2-NE 3.74Å; D330-R351 IonicContact OD2-NH2 3.76Å; D330-R351 PolarHBondContact OD2-NH2 3.06Å | ||
| 331 | P | 94.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 80.5 Ų | 80.5 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -71.4 | -28.1 | -177.5 | 26.2 | -32.6 | 0 | 0 | 0 | 113.5 | ||
| 332 | H | 95.8 | Very high | 95.6 | Very high | 173 Ų | 173 | 82.4 Ų | 82.4 | 80% | 0.801 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -90.9 | -39.8 | -179.8 | -57.5 | 93.5 | 0 | 0 | 0 | 110.8 | D330 | D330-H332 PolarHBondContact OD1-N 2.86Š|
| 333 | E | 95.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | trans | -116.7 | 81.8 | 179.5 | -65.5 | -175.4 | 162.3 | 0 | 0 | 111.7 | D330 E335 F336 R351 | D330-E333 HydrophobicContact CB-CB 4.45Å; D330-E333 WeakPolarHBondContact CB-O 3.39Å; D330-E333 CarbonylContact O-C 3.58Å; D330-E333 PolarHBondContact OD1-N 3.16Å; E333-E335 PolarHBondContact O-N 3.43Å; E333-F336 HydrophobicContact CB-CD2 3.94Å; E333-F336 PolarHBondContact O-N 3.47Å; E333-F336 VanDerWaalsContact OE2-CD2 3.28Å; E333-F336 WeakPolarHBondContact OE2-CD2 3.42Å; E333-F336 WeakPolarHBondContact OE2-CE2 3.41Å; E333-R351 IonicContact OE2-CZ 3.39Å; E333-R351 VanDerWaalsContact OE2-CZ 3.22Å; E333-R351 IonicContact OE2-NH1 3.17Å; E333-R351 PolarHBondContact OE2-NH1 2.96Å; E333-R351 IonicContact OE2-NH2 2.77Å; E333-R351 PolarHBondContact OE2-NH2 3.47Å | ||
| 334 | R | 93.3 | Very high | 95.5 | Very high | 189 Ų | 189 | 84.9 Ų | 84.9 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -6.3 | -174.2 | -65.5 | -171.3 | 178.1 | -168.1 | -0.1 | 115.8 | Q329 F354 | Q329-R334 PolarHBondContact NE2-O 2.8Å; R334-F354 WeakPolarHBondContact O-CE2 3.35Å |
| 335 | E | 95.4 | Very high | 95.4 | Very high | 102 Ų | 102 | 84.4 Ų | 84.4 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12.2 | 172.6 | 63.7 | 171.3 | -154.2 | 0 | 0 | 113.9 | E333 K353 F354 | E333-E335 PolarHBondContact O-N 3.43Å; E335-K353 WeakPolarHBondContact O-CA 3.46Å; E335-K353 IonicContact OE1-NZ 2.71Å; E335-K353 PolarHBondContact OE1-NZ 3.1Å; E335-K353 IonicContact OE2-NZ 3.63Å; E335-F354 WeakPolarHBondContact O-CD2 3.31Å; E335-F354 PolarHBondContact O-N 2.93Å |
| 336 | F | 96.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 80.6 Ų | 80.6 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 149.3 | -178.2 | -77.5 | -85.3 | 0 | 0 | 0 | 113.1 | D330 E333 R351 K353 | D330-F336 HydrophobicContact CB-CB 4.29Å; D330-F336 PolarHBondContact N-O 2.88Å; E333-F336 HydrophobicContact CB-CD2 3.94Å; E333-F336 PolarHBondContact O-N 3.47Å; E333-F336 VanDerWaalsContact OE2-CD2 3.28Å; E333-F336 WeakPolarHBondContact OE2-CD2 3.42Å; E333-F336 WeakPolarHBondContact OE2-CE2 3.41Å; F336-R351 HydrophobicContact CB-CG 4.45Å; F336-R351 HydrophobicContact CD1-CG 3.88Å; F336-K353 HydrophobicContact CD1-CG 3.78Å; F336-K353 HydrophobicContact CE1-CD 4.32Å; F336-K353 HydrophobicContact CE1-CG 3.46Å; F336-K353 VanDerWaalsContact CE1-CG 3.46Å; F336-K353 HydrophobicContact CE2-CG 4.25Å; F336-K353 HydrophobicContact CG-CG 4.35Å; F336-K353 HydrophobicContact CZ-CD 4.14Å; F336-K353 HydrophobicContact CZ-CG 3.76Å |
| 337 | I | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126 | 172 | -53 | 166.5 | 0 | 0 | 0 | 107.2 | V323 L328 C339 R351 M352 F354 I357 | V323-I337 HydrophobicContact CG1-CG1 4.34Å; V323-I337 HydrophobicContact CG1-CG2 4.09Å; V323-I337 HydrophobicContact CG2-CD1 4.25Å; V323-I337 HydrophobicContact CG2-CG2 3.96Å; L328-I337 HydrophobicContact CB-CG2 4.02Å; L328-I337 CarbonylContact O-C 3.3Å; L328-I337 WeakPolarHBondContact O-CA 3.38Å; I337-C339 PolarHBondContact O-N 3.44Å; I337-R351 WeakPolarHBondContact O-CA 3.43Å; I337-M352 HydrophobicContact CB-CG 4.37Å; I337-M352 PolarHBondContact N-O 3.2Å; I337-M352 PolarHBondContact O-N 2.74Å; I337-F354 HydrophobicContact CD1-CD1 3.62Å; I337-F354 HydrophobicContact CD1-CE1 3.32Å; I337-F354 HydrophobicContact CD1-CE2 4.47Å; I337-F354 HydrophobicContact CD1-CG 4.29Å; I337-F354 HydrophobicContact CD1-CZ 3.79Å; I337-F354 HydrophobicContact CG1-CD1 4.06Å; I337-F354 HydrophobicContact CG1-CD2 4.39Å; I337-F354 HydrophobicContact CG1-CE1 3.48Å; I337-F354 VanDerWaalsContact CG1-CE1 3.48Å; I337-F354 HydrophobicContact CG1-CE2 3.85Å; I337-F354 HydrophobicContact CG1-CG 4.45Å; I337-F354 HydrophobicContact CG1-CZ 3.35Å; I337-I357 HydrophobicContact CD1-CD1 3.78Å; I337-I357 HydrophobicContact CD1-CG1 4.3Å |
| 338 | N | 96.3 | Very high | 95.1 | Very high | 62 Ų | 62 | 76 Ų | 76 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 101.7 | 171.2 | -64.5 | -29 | 0 | 0 | 0 | 107.3 | L328 D330 D340 R351 | L328-N338 PolarHBondContact O-N 3.36Å; D330-N338 PolarHBondContact OD2-ND2 2.98Å; N338-D340 PolarHBondContact O-N 3.24Å; N338-R351 PolarHBondContact OD1-NE 2.83Å; N338-R351 VanDerWaalsContact OD1-NE 3.15Å |
| 339 | C | 95.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 76.2 Ų | 76.2 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -63.6 | 129 | -176.4 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | I337 L343 Q344 T349 Q350 | I337-C339 PolarHBondContact O-N 3.44Å; C339-L343 HydrophobicContact CB-CB 3.72Å; C339-Q344 HydrophobicContact CB-CG 3.71Å; C339-Q344 PolarHBondContact O-NE2 3.29Å; C339-T349 VanDerWaalsContact CB-O 3.25Å; C339-T349 WeakPolarHBondContact CB-O 3.49Å; C339-T349 PolarHBondContact SG-O 3.45Å; C339-Q350 WeakPolarHBondContact CB-O 3.3Å; C339-Q350 PolarHBondContact N-O 3.38Å | ||
| 340 | D | 94.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 80 Ų | 80 | 17% | 0.166 | 37% | 0.372 | C | S | . | . | trans | -75.1 | -179.3 | 170.4 | 68.4 | -1.8 | 0 | 0 | 0 | 111.2 | Y322 L328 N338 Y342 L343 Q344 | Y322-D340 PolarHBondContact OH-OD2 3.39Å; L328-D340 HydrophobicContact CD1-CB 4.06Å; L328-D340 HydrophobicContact CD2-CB 3.95Å; N338-D340 PolarHBondContact O-N 3.24Å; D340-Y342 PolarHBondContact O-N 2.96Å; D340-Y342 VanDerWaalsContact O-N 3.13Å; D340-Y342 PolarHBondContact OD1-N 2.9Å; D340-L343 PolarHBondContact O-N 3.44Å; D340-L343 WeakPolarHBondContact OD1-CB 3.27Å; D340-L343 WeakPolarHBondContact OD1-CG 3.4Å; D340-L343 PolarHBondContact OD1-N 2.87Å; D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.49Å; D340-Q344 PolarHBondContact O-N 2.87Å | ||
| 341 | K | 95 | Very high | 94.9 | Very high | 168 Ų | 168 | 83.1 Ų | 83.1 | 73% | 0.73 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -56.2 | -33.4 | -177.8 | -64.3 | -178.4 | -179.1 | 179.4 | 0 | 112.9 | Q345 | K341-Q345 VanDerWaalsContact O-CB 3.28Å; K341-Q345 WeakPolarHBondContact O-CB 3.37Å; K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 3.22Å |
| 342 | Y | 94.6 | Very high | 95 | Very high | 147 Ų | 147 | 78.6 Ų | 78.6 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.9 | -43.1 | -179 | -59.2 | -65.8 | 0 | 0 | 0 | 111.9 | D340 Q345 I346 | D340-Y342 PolarHBondContact O-N 2.96Å; D340-Y342 VanDerWaalsContact O-N 3.13Å; D340-Y342 PolarHBondContact OD1-N 2.9Å; Y342-Q345 VanDerWaalsContact O-CB 3.29Å; Y342-Q345 WeakPolarHBondContact O-CB 3.33Å; Y342-Q345 PolarHBondContact O-N 2.85Å; Y342-I346 WeakPolarHBondContact O-CD1 3.43Å; Y342-I346 WeakPolarHBondContact O-CG1 3.45Å; Y342-I346 PolarHBondContact O-N 3.41Å |
| 343 | L | 94.4 | Very high | 95 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 175.5 | -74.2 | 175.3 | 0 | 0 | 0 | 112.2 | M304 L319 Y322 V323 L328 C339 D340 Q345 I346 F347 | M304-L343 HydrophobicContact CE-CD2 3.46Å; M304-L343 VanDerWaalsContact CE-CD2 3.46Å; M304-L343 HydrophobicContact CE-CG 4.37Å; L319-L343 HydrophobicContact CD1-CD2 3.7Å; Y322-L343 HydrophobicContact CD1-CD1 4.19Å; Y322-L343 HydrophobicContact CD1-CG 4.44Å; Y322-L343 HydrophobicContact CE1-CD1 4.01Å; Y322-L343 HydrophobicContact CE1-CG 4.04Å; V323-L343 HydrophobicContact CG2-CD1 4.45Å; L328-L343 HydrophobicContact CD1-CD1 3.58Å; C339-L343 HydrophobicContact CB-CB 3.72Å; D340-L343 PolarHBondContact O-N 3.44Å; D340-L343 WeakPolarHBondContact OD1-CB 3.27Å; D340-L343 WeakPolarHBondContact OD1-CG 3.4Å; D340-L343 PolarHBondContact OD1-N 2.87Å; L343-Q345 PolarHBondContact O-N 2.99Å; L343-I346 PolarHBondContact O-N 3.5Å; L343-I346 VanDerWaalsContact O-N 3.15Å; L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CD2-CD2 3.76Å; L343-F347 HydrophobicContact CD2-CE2 3.63Å; L343-F347 WeakPolarHBondContact O-CB 3.44Å; L343-F347 PolarHBondContact O-N 2.94Å |
| 344 | Q | 94.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 173.7 | -76.3 | 179.1 | 37.5 | 0 | 0 | 111.4 | C339 D340 I346 E348 T349 | C339-Q344 HydrophobicContact CB-CG 3.71Å; C339-Q344 PolarHBondContact O-NE2 3.29Å; D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.49Å; D340-Q344 PolarHBondContact O-N 2.87Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 2.99Å; Q344-E348 WeakPolarHBondContact O-CA 3.4Å; Q344-E348 PolarHBondContact O-N 3.17Å; Q344-T349 WeakPolarHBondContact CG-O 3.39Å |
| 345 | Q | 94.2 | Very high | 94.9 | Very high | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 178.3 | -99.3 | -173.1 | 30.8 | 0 | 0 | 113.4 | R300 K341 Y342 L343 | R300-Q345 PolarHBondContact NH1-O 3.3Å; R300-Q345 PolarHBondContact NH2-O 3.24Å; K341-Q345 VanDerWaalsContact O-CB 3.28Å; K341-Q345 WeakPolarHBondContact O-CB 3.37Å; K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 3.22Å; Y342-Q345 VanDerWaalsContact O-CB 3.29Å; Y342-Q345 WeakPolarHBondContact O-CB 3.33Å; Y342-Q345 PolarHBondContact O-N 2.85Å; L343-Q345 PolarHBondContact O-N 2.99Å |
| 346 | I | 94.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -93.1 | -44.6 | -175.4 | -66.9 | 164.5 | 0 | 0 | 0 | 111.9 | R300 L301 M304 Y342 L343 Q344 L364 | R300-I346 HydrophobicContact CB-CD1 4.25Å; R300-I346 HydrophobicContact CB-CG1 3.95Å; L301-I346 HydrophobicContact CB-CD1 4.45Å; L301-I346 HydrophobicContact CB-CG2 4.19Å; L301-I346 HydrophobicContact CD1-CD1 4.46Å; L301-I346 HydrophobicContact CD1-CG2 4.3Å; M304-I346 HydrophobicContact CB-CD1 4.38Å; M304-I346 HydrophobicContact CE-CD1 3.57Å; Y342-I346 WeakPolarHBondContact O-CD1 3.43Å; Y342-I346 WeakPolarHBondContact O-CG1 3.45Å; Y342-I346 PolarHBondContact O-N 3.41Å; L343-I346 PolarHBondContact O-N 3.5Å; L343-I346 VanDerWaalsContact O-N 3.15Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 2.99Å; I346-L364 HydrophobicContact CG2-CD1 3.49Å; I346-L364 VanDerWaalsContact CG2-CD1 3.49Å |
| 347 | F | 94.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 64 Ų | 64 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -96.6 | -2.4 | -176.4 | -71.4 | -67.3 | 0 | 0 | 0 | 113.8 | L319 L343 T349 M352 R360 L364 | L319-F347 HydrophobicContact CD1-CE2 4.12Å; L319-F347 HydrophobicContact CD2-CE2 4.14Å; L319-F347 HydrophobicContact CD2-CZ 3.9Å; L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CD2-CD2 3.76Å; L343-F347 HydrophobicContact CD2-CE2 3.63Å; L343-F347 WeakPolarHBondContact O-CB 3.44Å; L343-F347 PolarHBondContact O-N 2.94Å; F347-T349 HydrophobicContact CB-CG2 4.1Å; F347-T349 PolarHBondContact O-N 3.41Å; F347-T349 VanDerWaalsContact O-N 3.12Å; F347-M352 HydrophobicContact CB-SD 4.41Å; F347-M352 HydrophobicContact CD2-SD 4.35Å; F347-M352 HydrophobicContact CG-SD 4.26Å; F347-R360 HydrophobicContact CD1-CB 3.81Å; F347-R360 HydrophobicContact CE1-CB 4.06Å; F347-R360 PolarHBondContact O-NH1 3.24Å; F347-R360 VanDerWaalsContact O-NH1 3.11Å; F347-L364 HydrophobicContact CD1-CD1 3.85Å; F347-L364 HydrophobicContact CE1-CD1 3.58Å; F347-L364 HydrophobicContact CZ-CD1 4.18Å |
| 348 | E | 93.9 | Very high | 94.5 | Very high | 169 Ų | 169 | 66.1 Ų | 66.1 | 79% | 0.79 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 54.9 | 33.3 | 176.4 | -59.2 | 175.3 | 177 | 0 | 0 | 112.7 | Q344 | Q344-E348 WeakPolarHBondContact O-CA 3.4Å; Q344-E348 PolarHBondContact O-N 3.17Å |
| 349 | T | 94.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | trans | -144.2 | 140.2 | 179.6 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | C339 Q344 F347 R351 M352 | C339-T349 VanDerWaalsContact CB-O 3.25Å; C339-T349 WeakPolarHBondContact CB-O 3.49Å; C339-T349 PolarHBondContact SG-O 3.45Å; Q344-T349 WeakPolarHBondContact CG-O 3.39Å; F347-T349 HydrophobicContact CB-CG2 4.1Å; F347-T349 PolarHBondContact O-N 3.41Å; F347-T349 VanDerWaalsContact O-N 3.12Å; T349-R351 PolarHBondContact OG1-N 3.26Å; T349-R351 PolarHBondContact OG1-O 3Å; T349-M352 HydrophobicContact CG2-CB 3.95Å; T349-M352 HydrophobicContact CG2-CG 4.23Å; T349-M352 HydrophobicContact CG2-SD 4.17Å | ||
| 350 | Q | 94.4 | Very high | 94.3 | Very high | 149 Ų | 149 | 74.5 Ų | 74.5 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -73.5 | -31.8 | 175.7 | -164.6 | 178.5 | 18.9 | 0 | 0 | 112.4 | C339 | C339-Q350 WeakPolarHBondContact CB-O 3.3Å; C339-Q350 PolarHBondContact N-O 3.38Å |
| 351 | R | 95 | Very high | 94.2 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 32% | 0.317 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.2 | -176.3 | -161.5 | 179.5 | -164.8 | -139.5 | -0.3 | 109.9 | D330 E333 F336 I337 N338 T349 | D330-R351 IonicContact OD2-CZ 2.66Å; D330-R351 IonicContact OD2-NE 3.74Å; D330-R351 IonicContact OD2-NH2 3.76Å; D330-R351 PolarHBondContact OD2-NH2 3.06Å; E333-R351 IonicContact OE2-CZ 3.39Å; E333-R351 VanDerWaalsContact OE2-CZ 3.22Å; E333-R351 IonicContact OE2-NH1 3.17Å; E333-R351 PolarHBondContact OE2-NH1 2.96Å; E333-R351 IonicContact OE2-NH2 2.77Å; E333-R351 PolarHBondContact OE2-NH2 3.47Å; F336-R351 HydrophobicContact CB-CG 4.45Å; F336-R351 HydrophobicContact CD1-CG 3.88Å; I337-R351 WeakPolarHBondContact O-CA 3.43Å; N338-R351 PolarHBondContact OD1-NE 2.83Å; N338-R351 VanDerWaalsContact OD1-NE 3.15Å; T349-R351 PolarHBondContact OG1-N 3.26Å; T349-R351 PolarHBondContact OG1-O 3Å |
| 352 | M | 95.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154 | 177.1 | 57.2 | -179.3 | -76.6 | 0 | 0 | 112.3 | I337 F347 T349 I357 | I337-M352 HydrophobicContact CB-CG 4.37Å; I337-M352 PolarHBondContact N-O 3.2Å; I337-M352 PolarHBondContact O-N 2.74Å; F347-M352 HydrophobicContact CB-SD 4.41Å; F347-M352 HydrophobicContact CD2-SD 4.35Å; F347-M352 HydrophobicContact CG-SD 4.26Å; T349-M352 HydrophobicContact CG2-CB 3.95Å; T349-M352 HydrophobicContact CG2-CG 4.23Å; T349-M352 HydrophobicContact CG2-SD 4.17Å; M352-I357 HydrophobicContact CE-CB 4.07Å; M352-I357 HydrophobicContact CE-CG1 3.3Å |
| 353 | K | 95.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 153.5 | 172.5 | -64.2 | -167.1 | -177.1 | -145.4 | 0 | 112.1 | E335 F336 S355 E356 | E335-K353 WeakPolarHBondContact O-CA 3.46Å; E335-K353 IonicContact OE1-NZ 2.71Å; E335-K353 PolarHBondContact OE1-NZ 3.1Å; E335-K353 IonicContact OE2-NZ 3.63Å; F336-K353 HydrophobicContact CD1-CG 3.78Å; F336-K353 HydrophobicContact CE1-CD 4.32Å; F336-K353 HydrophobicContact CE1-CG 3.46Å; F336-K353 VanDerWaalsContact CE1-CG 3.46Å; F336-K353 HydrophobicContact CE2-CG 4.25Å; F336-K353 HydrophobicContact CG-CG 4.35Å; F336-K353 HydrophobicContact CZ-CD 4.14Å; F336-K353 HydrophobicContact CZ-CG 3.76Å; K353-S355 PolarHBondContact O-N 3.28Å; K353-E356 HydrophobicContact CB-CG 4.2Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.48Å; K353-E356 VanDerWaalsContact O-N 3.1Å |
| 354 | F | 92.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 69 Ų | 69 | 25% | 0.25 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -57.8 | -36.3 | 172.3 | -74.7 | -73.6 | 0 | 0 | 0 | 113.1 | W320 V323 Q329 R334 E335 I337 E356 I357 | W320-F354 HydrophobicContact CE3-CD1 4.39Å; W320-F354 AromaticContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CE1 3.48Å; W320-F354 VanDerWaalsContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CZ 4.09Å; W320-F354 HydrophobicContact CH2-CE1 4.14Å; W320-F354 HydrophobicContact CH2-CZ 4.02Å; W320-F354 HydrophobicContact CZ3-CD1 4.31Å; W320-F354 AromaticContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE2 4.47Å; W320-F354 AromaticContact CZ3-CZ 3.31Å; W320-F354 HydrophobicContact CZ3-CZ 3.31Å; V323-F354 HydrophobicContact CG1-CE1 4.48Å; V323-F354 HydrophobicContact CG1-CZ 4.45Å; Q329-F354 HydrophobicContact CB-CZ 4.45Å; Q329-F354 HydrophobicContact CG-CE2 4.11Å; Q329-F354 HydrophobicContact CG-CZ 4.1Å; R334-F354 WeakPolarHBondContact O-CE2 3.35Å; E335-F354 WeakPolarHBondContact O-CD2 3.31Å; E335-F354 PolarHBondContact O-N 2.93Å; I337-F354 HydrophobicContact CD1-CD1 3.62Å; I337-F354 HydrophobicContact CD1-CE1 3.32Å; I337-F354 HydrophobicContact CD1-CE2 4.47Å; I337-F354 HydrophobicContact CD1-CG 4.29Å; I337-F354 HydrophobicContact CD1-CZ 3.79Å; I337-F354 HydrophobicContact CG1-CD1 4.06Å; I337-F354 HydrophobicContact CG1-CD2 4.39Å; I337-F354 HydrophobicContact CG1-CE1 3.48Å; I337-F354 VanDerWaalsContact CG1-CE1 3.48Å; I337-F354 HydrophobicContact CG1-CE2 3.85Å; I337-F354 HydrophobicContact CG1-CG 4.45Å; I337-F354 HydrophobicContact CG1-CZ 3.35Å; F354-E356 PolarHBondContact O-N 2.93Å; F354-I357 HydrophobicContact CD1-CD1 3.74Å; F354-I357 HydrophobicContact CE1-CD1 4.46Å; F354-I357 WeakPolarHBondContact O-CB 3.4Å; F354-I357 WeakPolarHBondContact O-CG1 3.38Å; F354-I357 PolarHBondContact O-N 2.7Å |
| 355 | S | 94.3 | Very high | 94.1 | Very high | 91 Ų | 91 | 66 Ų | 66 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.2 | -21.9 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | K353 P358 | K353-S355 PolarHBondContact O-N 3.28Å; S355-P358 WeakPolarHBondContact O-CD 3.18Å |
| 356 | E | 94.1 | Very high | 94.2 | Very high | 56 Ų | 56 | 66.1 Ų | 66.1 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -82.4 | -20.7 | 177.9 | -67.1 | 172.8 | -145 | 0 | 0 | 112.8 | K353 F354 Q359 R360 | K353-E356 HydrophobicContact CB-CG 4.2Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.48Å; K353-E356 VanDerWaalsContact O-N 3.1Å; F354-E356 PolarHBondContact O-N 2.93Å; E356-Q359 PolarHBondContact O-N 3.25Å; E356-Q359 VanDerWaalsContact O-N 3.14Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 IonicContact OE2-CZ 2.96Å; E356-R360 IonicContact OE2-NE 2.67Å; E356-R360 PolarHBondContact OE2-NE 3.01Å; E356-R360 IonicContact OE2-NH2 3.19Å; E356-R360 PolarHBondContact OE2-NH2 3.44Å |
| 357 | I | 93.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.062 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -50.5 | -51.1 | -177.2 | -65.5 | 169.6 | 0 | 0 | 0 | 111.7 | I316 L319 I337 M352 F354 Q359 R360 L361 | I316-I357 HydrophobicContact CG1-CG2 4.45Å; L319-I357 HydrophobicContact CD2-CD1 4.46Å; L319-I357 HydrophobicContact CD2-CG2 3.63Å; I337-I357 HydrophobicContact CD1-CD1 3.78Å; I337-I357 HydrophobicContact CD1-CG1 4.3Å; M352-I357 HydrophobicContact CE-CB 4.07Å; M352-I357 HydrophobicContact CE-CG1 3.3Å; F354-I357 HydrophobicContact CD1-CD1 3.74Å; F354-I357 HydrophobicContact CE1-CD1 4.46Å; F354-I357 WeakPolarHBondContact O-CB 3.4Å; F354-I357 WeakPolarHBondContact O-CG1 3.38Å; F354-I357 PolarHBondContact O-N 2.7Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 2.91Å; I357-R360 PolarHBondContact O-N 2.84Å; I357-L361 WeakPolarHBondContact O-CB 3.47Å; I357-L361 PolarHBondContact O-N 2.7Å |
| 358 | P | 93.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 71.3 Ų | 71.3 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | -175.9 | -23.6 | 35.8 | 0 | 0 | 0 | 111.9 | R312 S355 H362 | R312-P358 PolarHBondContact NH2-O 3.4Å; S355-P358 WeakPolarHBondContact O-CD 3.18Å; P358-H362 PolarHBondContact O-N 3.26Å; P358-H362 VanDerWaalsContact O-N 3.17Å |
| 359 | Q | 93.6 | Very high | 94 | Very high | 156 Ų | 156 | 68.7 Ų | 68.7 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.4 | -48.8 | -178.7 | -68.1 | 178.4 | -4.2 | 0 | 0 | 111.4 | E356 I357 L361 H362 | E356-Q359 PolarHBondContact O-N 3.25Å; E356-Q359 VanDerWaalsContact O-N 3.14Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 2.91Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 2.87Å; Q359-H362 VanDerWaalsContact O-CB 3.25Å; Q359-H362 WeakPolarHBondContact O-CB 3.45Å; Q359-H362 PolarHBondContact O-N 3.45Å; Q359-H362 VanDerWaalsContact O-N 3.1Å |
| 360 | R | 93.1 | Very high | 94 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.9 | -69 | -172.2 | 177.4 | -102.4 | -0.1 | 112.4 | F347 E356 I357 H362 | F347-R360 HydrophobicContact CD1-CB 3.81Å; F347-R360 HydrophobicContact CE1-CB 4.06Å; F347-R360 PolarHBondContact O-NH1 3.24Å; F347-R360 VanDerWaalsContact O-NH1 3.11Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 IonicContact OE2-CZ 2.96Å; E356-R360 IonicContact OE2-NE 2.67Å; E356-R360 PolarHBondContact OE2-NE 3.01Å; E356-R360 IonicContact OE2-NH2 3.19Å; E356-R360 PolarHBondContact OE2-NH2 3.44Å; I357-R360 PolarHBondContact O-N 2.84Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 2.76Å |
| 361 | L | 94.3 | Very high | 94 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 176.1 | -177.8 | 62.9 | 0 | 0 | 0 | 111.7 | L301 I315 I316 I357 Q359 A363 L364 L365 | L301-L361 HydrophobicContact CD2-CD1 3.51Å; I315-L361 HydrophobicContact CG2-CD1 4.07Å; I315-L361 HydrophobicContact CG2-CD2 3.89Å; I316-L361 HydrophobicContact CD1-CD2 4.41Å; I316-L361 HydrophobicContact CG1-CD2 3.67Å; I357-L361 WeakPolarHBondContact O-CB 3.47Å; I357-L361 PolarHBondContact O-N 2.7Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 2.87Å; L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.45Å; L361-L364 WeakPolarHBondContact O-CA 3.46Å; L361-L364 PolarHBondContact O-N 2.9Å; L361-L365 HydrophobicContact CD1-CD2 4.11Å; L361-L365 HydrophobicContact CD1-CG 4.25Å; L361-L365 HydrophobicContact CD2-CD1 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CD2 4.21Å; L361-L365 HydrophobicContact CG-CG 3.95Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.72Å |
| 362 | H | 93.8 | Very high | 94 | Very high | 119 Ų | 119 | 65.5 Ų | 65.5 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.1 | -39.3 | -175.8 | -173.6 | 44.9 | 0 | 0 | 0 | 113.2 | P358 Q359 R360 L364 L365 | P358-H362 PolarHBondContact O-N 3.26Å; P358-H362 VanDerWaalsContact O-N 3.17Å; Q359-H362 VanDerWaalsContact O-CB 3.25Å; Q359-H362 WeakPolarHBondContact O-CB 3.45Å; Q359-H362 PolarHBondContact O-N 3.45Å; Q359-H362 VanDerWaalsContact O-N 3.1Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 2.76Å; H362-L364 PolarHBondContact O-N 2.9Å; H362-L365 PolarHBondContact O-N 3.22Å |
| 363 | A | 92.8 | Very high | 94 | Very high | 84 Ų | 84 | 65.7 Ų | 65.7 | 69% | 0.694 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L361 | L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.45Å |
| 364 | L | 94.4 | Very high | 94 | Very high | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 3.4 | -178.6 | -56.3 | 174.1 | 0 | 0 | 0 | 112.7 | D298 L301 I346 F347 L361 H362 | D298-L364 HydrophobicContact CB-CB 4.28Å; D298-L364 HydrophobicContact CB-CD2 4.24Å; D298-L364 PolarHBondContact N-O 3.03Å; L301-L364 HydrophobicContact CD2-CB 4.2Å; L301-L364 HydrophobicContact CD2-CD1 4.27Å; I346-L364 HydrophobicContact CG2-CD1 3.49Å; I346-L364 VanDerWaalsContact CG2-CD1 3.49Å; F347-L364 HydrophobicContact CD1-CD1 3.85Å; F347-L364 HydrophobicContact CE1-CD1 3.58Å; F347-L364 HydrophobicContact CZ-CD1 4.18Å; L361-L364 WeakPolarHBondContact O-CA 3.46Å; L361-L364 PolarHBondContact O-N 2.9Å; H362-L364 PolarHBondContact O-N 2.9Å |
| 365 | L | 95.6 | Very high | 94 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.5 | 179.1 | -65.5 | -179.1 | 0 | 0 | 0 | 109.7 | F295 L297 R312 I315 L361 H362 | F295-L365 HydrophobicContact CB-CB 3.96Å; F295-L365 HydrophobicContact CB-CD1 4.48Å; F295-L365 HydrophobicContact CB-CD2 3.96Å; F295-L365 HydrophobicContact CB-CG 4.33Å; F295-L365 HydrophobicContact CD1-CB 4.03Å; F295-L365 HydrophobicContact CD2-CD1 4.36Å; F295-L365 HydrophobicContact CG-CB 4.07Å; F295-L365 HydrophobicContact CG-CD1 4.24Å; L297-L365 HydrophobicContact CG-CD2 4.29Å; R312-L365 HydrophobicContact CB-CD1 4.49Å; R312-L365 HydrophobicContact CG-CD1 4.03Å; I315-L365 HydrophobicContact CD1-CD2 3.6Å; L361-L365 HydrophobicContact CD1-CD2 4.11Å; L361-L365 HydrophobicContact CD1-CG 4.25Å; L361-L365 HydrophobicContact CD2-CD1 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CD2 4.21Å; L361-L365 HydrophobicContact CG-CG 3.95Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.72Å; H362-L365 PolarHBondContact O-N 3.22Å |
| 366 | M | 94.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 66.4 Ų | 66.4 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 157.4 | 176.9 | -59.6 | -57 | -73.9 | 0 | 0 | 110.7 | F295 K296 | F295-M366 CarbonylContact C-O 3.5Å; F295-M366 WeakPolarHBondContact CA-O 3.31Å; K296-M366 PolarHBondContact N-O 3.42Å; K296-M366 PolarHBondContact O-N 2.92Å |
| 367 | P | 93.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 145.5 | 167.9 | -24.5 | 34.7 | 0 | 0 | 0 | 111.3 | ||
| 368 | P | 93.7 | Very high | 93.5 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 146.2 | 172.9 | -24.8 | 35.2 | 0 | 0 | 0 | 111.6 | Y290 Q294 T309 | Y290-P368 HydrophobicContact CD2-CB 4.24Å; Y290-P368 HydrophobicContact CD2-CG 3.89Å; Y290-P368 HydrophobicContact CE2-CB 3.73Å; Y290-P368 HydrophobicContact CE2-CG 3.9Å; Q294-P368 HydrophobicContact CB-CG 4.49Å; Q294-P368 VanDerWaalsContact O-CD 3.28Å; Q294-P368 WeakPolarHBondContact O-CD 3.37Å; Q294-P368 WeakPolarHBondContact O-CG 3.22Å; T309-P368 HydrophobicContact CG2-CB 4.29Å; T309-P368 HydrophobicContact CG2-CG 4.38Å |
| 369 | E | 92 | Very high | 93.1 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 139.3 | 175.7 | -81.1 | 177.9 | 155 | 0 | 0 | 111.4 | K296 | K296-E369 HydrophobicContact CD-CG 3.8Å; K296-E369 IonicContact NZ-OE1 3.18Å; K296-E369 PolarHBondContact NZ-OE1 3.28Å; K296-E369 IonicContact NZ-OE2 3.88Å; K296-E369 PolarHBondContact NZ-OE2 3.14Å |
| 370 | P | 94.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 153.2 | 172.7 | 30.9 | -34.9 | 0 | 0 | 0 | 110.3 | L285 L286 M287 I372 | L285-P370 HydrophobicContact CB-CB 4.32Å; L285-P370 HydrophobicContact CD2-CG 4.16Å; L286-P370 WeakPolarHBondContact O-CA 3.39Å; M287-P370 HydrophobicContact CG-CB 4.02Å; M287-P370 HydrophobicContact SD-CB 3.59Å; M287-P370 VanDerWaalsContact SD-CB 3.59Å; P370-I372 HydrophobicContact CG-CG1 4.36Å; P370-I372 PolarHBondContact O-N 3.44Å |
| 371 | I | 94.3 | Very high | 91.7 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.5 | 168.3 | -59.4 | 167.2 | 0 | 0 | 0 | 106.8 | L285 L286 L288 I373 I392 | L285-I371 WeakPolarHBondContact CA-O 3.4Å; L286-I371 HydrophobicContact CB-CB 4.24Å; L286-I371 PolarHBondContact N-O 2.9Å; L286-I371 PolarHBondContact O-N 3.38Å; L288-I371 HydrophobicContact CD1-CD1 3.83Å; L288-I371 HydrophobicContact CG-CD1 4.11Å; I371-I373 HydrophobicContact CG2-CG1 4.3Å; I371-I392 HydrophobicContact CD1-CB 4.26Å; I371-I392 HydrophobicContact CD1-CD1 3.55Å; I371-I392 HydrophobicContact CD1-CG2 4.08Å; I371-I392 HydrophobicContact CG2-CG2 4.49Å |
| 372 | I | 95.6 | Very high | 90.8 | Very high | 103 Ų | 103 | 66.8 Ų | 66.8 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.7 | -176.7 | -57 | 175.5 | 0 | 0 | 0 | 108.6 | T283 P370 | T283-I372 HydrophobicContact CG2-CG2 3.5Å; P370-I372 HydrophobicContact CG-CG1 4.36Å; P370-I372 PolarHBondContact O-N 3.44Å |
| 373 | I | 95.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.5 | 176.3 | -57.2 | 173.1 | 0 | 0 | 0 | 108.8 | I184 I186 V284 L286 I371 Y390 | I184-I373 HydrophobicContact CD1-CD1 4.39Å; I186-I373 HydrophobicContact CD1-CB 4.17Å; I186-I373 HydrophobicContact CD1-CD1 4.15Å; I186-I373 HydrophobicContact CD1-CG2 3.57Å; V284-I373 HydrophobicContact CB-CB 4.42Å; V284-I373 PolarHBondContact N-O 3.01Å; V284-I373 PolarHBondContact O-N 3.49Å; L286-I373 HydrophobicContact CD1-CD1 4.03Å; I371-I373 HydrophobicContact CG2-CG1 4.3Å; I373-Y390 HydrophobicContact CD1-CD2 3.96Å; I373-Y390 HydrophobicContact CD1-CE2 4.48Å; I373-Y390 HydrophobicContact CD1-CG 4.02Å; I373-Y390 HydrophobicContact CG2-CD2 4.02Å; I373-Y390 HydrophobicContact CG2-CE1 4.02Å; I373-Y390 HydrophobicContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CZ 3.45Å |
| 374 | N | 94.8 | Very high | 88.5 | Confident | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.4 | 175.7 | -60.1 | -28.1 | 0 | 0 | 0 | 109.2 | ||
| 375 | H | 92.7 | Very high | 87.2 | Confident | 25 Ų | 25 | 70 Ų | 70 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.5 | 179 | -172.5 | 71.6 | 0 | 0 | 0 | 110.5 | I186 N188 C282 | I186-H375 HydrophobicContact CG2-CB 4.3Å; N188-H375 PolarHBondContact OD1-NE2 2.83Å; C282-H375 PolarHBondContact N-O 3.46Å; C282-H375 PolarHBondContact O-N 3.35Å |
| 376 | V | 92.1 | Very high | 86.4 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.1 | 175 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | R281 S378 | R281-V376 HydrophobicContact CG-CG2 4.23Å; V376-S378 PolarHBondContact O-N 3.31Å |
| 377 | I | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 106.5 | 174.7 | -61.1 | 164.9 | 0 | 0 | 0 | 106.9 | N188 W207 L209 L244 G279 V280 C282 | N188-I377 HydrophobicContact CB-CG2 4.13Å; W207-I377 HydrophobicContact CB-CG2 3.83Å; W207-I377 HydrophobicContact CD2-CD1 4.05Å; W207-I377 HydrophobicContact CD2-CG2 4.05Å; W207-I377 HydrophobicContact CE3-CD1 3.76Å; W207-I377 HydrophobicContact CE3-CG2 4.34Å; W207-I377 HydrophobicContact CG-CG2 3.84Å; W207-I377 HydrophobicContact CH2-CD1 3.82Å; W207-I377 HydrophobicContact CZ2-CD1 4.07Å; W207-I377 HydrophobicContact CZ3-CD1 3.66Å; L209-I377 HydrophobicContact CD1-CG1 4.35Å; L244-I377 HydrophobicContact CD2-CD1 4.35Å; G279-I377 CarbonylContact C-O 3.55Å; G279-I377 WeakPolarHBondContact CA-O 3.45Å; V280-I377 HydrophobicContact CB-CB 4.26Å; V280-I377 HydrophobicContact CB-CD1 4.23Å; V280-I377 PolarHBondContact N-O 3.2Å; V280-I377 WeakPolarHBondContact O-CB 3.28Å; V280-I377 PolarHBondContact O-N 2.89Å; C282-I377 HydrophobicContact CB-CD1 4.36Å |
| 378 | S | 87.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | trans | -86.6 | 140 | 176.6 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | N188 V376 D380 D383 | N188-S378 PolarHBondContact ND2-N 3.22Å; N188-S378 PolarHBondContact ND2-O 2.98Å; N188-S378 VanDerWaalsContact ND2-O 3.07Å; V376-S378 PolarHBondContact O-N 3.31Å; S378-D380 PolarHBondContact OG-N 3.11Å; S378-D383 PolarHBondContact OG-OD2 2.94Å; S378-D383 VanDerWaalsContact OG-OD2 3.06Å | ||
| 379 | V | 86.1 | Confident | 85.8 | Confident | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | trans | -95.3 | -4.6 | 173.3 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | F190 P381 | F190-V379 HydrophobicContact CD1-CB 4.16Å; F190-V379 WeakPolarHBondContact CD1-O 3.44Å; F190-V379 HydrophobicContact CD2-CB 4.03Å; F190-V379 HydrophobicContact CD2-CG1 3.73Å; F190-V379 HydrophobicContact CE1-CB 4.25Å; F190-V379 HydrophobicContact CE2-CB 4.12Å; F190-V379 HydrophobicContact CE2-CG1 3.83Å; F190-V379 HydrophobicContact CG-CB 4.04Å; F190-V379 HydrophobicContact CG-CG1 4.21Å; F190-V379 HydrophobicContact CZ-CB 4.22Å; F190-V379 HydrophobicContact CZ-CG1 4.38Å; V379-P381 WeakPolarHBondContact O-CD 3.41Å | ||
| 380 | D | 82.9 | Confident | 85.9 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -68.9 | 125.2 | 178.6 | -170.8 | -24.6 | 0 | 0 | 0 | 110.5 | S378 N382 D383 | S378-D380 PolarHBondContact OG-N 3.11Å; D380-N382 PolarHBondContact O-N 3.3Å; D380-N382 VanDerWaalsContact O-N 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.34Å; D380-N382 PolarHBondContact OD1-N 3.26Å; D380-D383 HydrophobicContact CB-CB 4.43Å; D380-D383 PolarHBondContact O-N 3.17Å | ||
| 381 | P | 74.3 | Confident | 85.9 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -28.9 | 173.6 | -27.1 | 34.9 | 0 | 0 | 0 | 114.6 | V379 | V379-P381 WeakPolarHBondContact O-CD 3.41Š|
| 382 | N | 75.2 | Confident | 85.9 | Confident | 138 Ų | 138 | 70.5 Ų | 70.5 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.8 | 180 | -70.2 | -37.5 | 0 | 0 | 0 | 113.5 | D380 | D380-N382 PolarHBondContact O-N 3.3Å; D380-N382 VanDerWaalsContact O-N 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.34Å; D380-N382 PolarHBondContact OD1-N 3.26Å |
| 383 | D | 72.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10 | -177.4 | -85.3 | -19.1 | 0 | 0 | 0 | 113.7 | S378 D380 K385 K386 | S378-D383 PolarHBondContact OG-OD2 2.94Å; S378-D383 VanDerWaalsContact OG-OD2 3.06Å; D380-D383 HydrophobicContact CB-CB 4.43Å; D380-D383 PolarHBondContact O-N 3.17Å; D383-K385 PolarHBondContact O-N 3.13Å; D383-K386 PolarHBondContact O-N 3.42Å; D383-K386 WeakPolarHBondContact OD1-CD 3.4Å; D383-K386 WeakPolarHBondContact OD1-CE 3.49Å; D383-K386 IonicContact OD1-NZ 2.98Å; D383-K386 PolarHBondContact OD1-NZ 3.02Å |
| 384 | Q | 65.4 | Low | 85.5 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.9 | -174.4 | -61.3 | -173.4 | -1.4 | 0 | 0 | 115 | F190 | F190-Q384 PolarHBondContact O-NE2 2.87Š|
| 385 | K | 67 | Low | 85.2 | Confident | 198 Ų | 198 | 67.6 Ų | 67.6 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 1.4 | 178.5 | -66 | -176.3 | -178.5 | 176.4 | 0 | 114 | D383 T387 | D383-K385 PolarHBondContact O-N 3.13Å; K385-T387 PolarHBondContact O-N 3.23Å |
| 386 | K | 78.8 | Confident | 84.9 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | trans | -84.3 | 104.5 | 179.9 | -69.4 | -179.6 | -178.3 | 165.9 | 0 | 109.9 | D383 | D383-K386 PolarHBondContact O-N 3.42Å; D383-K386 WeakPolarHBondContact OD1-CD 3.4Å; D383-K386 WeakPolarHBondContact OD1-CE 3.49Å; D383-K386 IonicContact OD1-NZ 2.98Å; D383-K386 PolarHBondContact OD1-NZ 3.02Å | ||
| 387 | T | 86.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | trans | -92.6 | 115.3 | 169.9 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | F185 K385 | F185-T387 HydrophobicContact CB-CG2 3.74Å; F185-T387 HydrophobicContact CD1-CG2 3.8Å; F185-T387 HydrophobicContact CG-CG2 4.25Å; K385-T387 PolarHBondContact O-N 3.23Å | ||
| 388 | A | 90.9 | Very high | 83.7 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 21% | 0.207 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F185 I186 Y390 | F185-A388 WeakPolarHBondContact CA-O 3.39Å; I186-A388 HydrophobicContact CB-CB 4.44Å; I186-A388 PolarHBondContact N-O 2.87Å; I186-A388 PolarHBondContact O-N 3.06Å; A388-Y390 HydrophobicContact CB-CE2 3.64Å |
| 389 | C | 93.1 | Very high | 83 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 47% | 0.473 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.3 | -177.3 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | I184 F185 | I184-C389 CarbonylContact O-C 3.5Å; I184-C389 VanDerWaalsContact O-CA 3.32Å; I184-C389 WeakPolarHBondContact O-CA 3.14Å; F185-C389 WeakPolarHBondContact CD1-SG 3.45Å |
| 390 | Y | 94.7 | Very high | 82.7 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.6 | 179.1 | -58.1 | -87.2 | 0 | 0 | 0 | 110.2 | R183 I184 I186 I373 A388 | R183-Y390 CarbonylContact C-O 3.58Å; R183-Y390 WeakPolarHBondContact CA-O 3.45Å; I184-Y390 PolarHBondContact N-O 2.96Å; I184-Y390 PolarHBondContact O-N 3.3Å; I186-Y390 HydrophobicContact CD1-CD2 4.31Å; I186-Y390 HydrophobicContact CD1-CE2 4.04Å; I186-Y390 HydrophobicContact CG1-CE2 4.42Å; I373-Y390 HydrophobicContact CD1-CD2 3.96Å; I373-Y390 HydrophobicContact CD1-CE2 4.48Å; I373-Y390 HydrophobicContact CD1-CG 4.02Å; I373-Y390 HydrophobicContact CG2-CD2 4.02Å; I373-Y390 HydrophobicContact CG2-CE1 4.02Å; I373-Y390 HydrophobicContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CZ 3.45Å; A388-Y390 HydrophobicContact CB-CE2 3.64Å |
| 391 | D | 94.1 | Very high | 82.6 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 35% | 0.353 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.7 | 177.1 | -73.4 | -12.9 | 0 | 0 | 0 | 110 | R183 | R183-D391 VanDerWaalsContact CB-OD1 3.3Å; R183-D391 WeakPolarHBondContact CB-OD1 3.28Å; R183-D391 VanDerWaalsContact CG-OD1 3.3Å; R183-D391 WeakPolarHBondContact CG-OD1 3.4Å; R183-D391 IonicContact CZ-OD1 3.23Å; R183-D391 IonicContact CZ-OD2 2.82Å; R183-D391 IonicContact NE-OD1 3.02Å; R183-D391 PolarHBondContact NE-OD1 3.45Å; R183-D391 IonicContact NE-OD2 2.58Å; R183-D391 IonicContact NH2-OD1 2.65Å; R183-D391 PolarHBondContact NH2-OD1 2.94Å; R183-D391 IonicContact NH2-OD2 2.66Å; R183-D391 PolarHBondContact NH2-OD2 3.04Å |
| 392 | I | 93.6 | Very high | 83 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.1 | 176.5 | 67.6 | 164.6 | 0 | 0 | 0 | 110.4 | K181 L182 I184 F237 L288 I371 V394 | K181-I392 CarbonylContact C-O 3.6Å; K181-I392 WeakPolarHBondContact CA-O 3.29Å; L182-I392 HydrophobicContact CB-CG1 3.98Å; L182-I392 HydrophobicContact CD2-CD1 4.25Å; L182-I392 HydrophobicContact CD2-CG1 4.42Å; L182-I392 HydrophobicContact CG-CG1 4.48Å; L182-I392 PolarHBondContact N-O 3.32Å; L182-I392 PolarHBondContact O-N 3.22Å; I184-I392 HydrophobicContact CD1-CD1 3.77Å; I184-I392 HydrophobicContact CD1-CG1 3.96Å; I184-I392 HydrophobicContact CD1-CG2 4.04Å; F237-I392 HydrophobicContact CE1-CD1 4.17Å; F237-I392 HydrophobicContact CZ-CD1 4.11Å; L288-I392 HydrophobicContact CD2-CD1 4.15Å; I371-I392 HydrophobicContact CD1-CB 4.26Å; I371-I392 HydrophobicContact CD1-CD1 3.55Å; I371-I392 HydrophobicContact CD1-CG2 4.08Å; I371-I392 HydrophobicContact CG2-CG2 4.49Å; I392-V394 HydrophobicContact CD1-CG1 4.07Å; I392-V394 HydrophobicContact CG1-CG1 4.17Å |
| 393 | D | 91.6 | Very high | 83.4 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.3 | 176 | -66.9 | -25.8 | 0 | 0 | 0 | 110 | R180 K181 | R180-D393 CarbonylContact O-C 3.47Å; R180-D393 WeakPolarHBondContact O-CA 3.35Å; K181-D393 IonicContact NZ-OD1 3.42Å |
| 394 | V | 91 | Very high | 84.1 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.8 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 111 | K179 R180 L182 L215 F236 L288 I392 V396 | K179-V394 WeakPolarHBondContact CA-O 3.46Å; R180-V394 PolarHBondContact N-O 2.86Å; R180-V394 PolarHBondContact O-N 3.1Å; L182-V394 HydrophobicContact CB-CB 4.47Å; L182-V394 HydrophobicContact CB-CG1 3.81Å; L182-V394 HydrophobicContact CB-CG2 3.78Å; L182-V394 HydrophobicContact CD2-CG1 3.92Å; L215-V394 HydrophobicContact CD1-CG2 3.68Å; F236-V394 HydrophobicContact CD1-CB 3.92Å; F236-V394 HydrophobicContact CD1-CG1 4.22Å; F236-V394 HydrophobicContact CD1-CG2 3.91Å; F236-V394 HydrophobicContact CE1-CB 4.24Å; F236-V394 HydrophobicContact CE1-CG2 3.76Å; F236-V394 HydrophobicContact CZ-CG2 4.43Å; L288-V394 HydrophobicContact CD2-CG1 4.06Å; I392-V394 HydrophobicContact CD1-CG1 4.07Å; I392-V394 HydrophobicContact CG1-CG1 4.17Å; V394-V396 HydrophobicContact CG2-CG2 4.47Å |
| 395 | E | 88.1 | Confident | 85.1 | Confident | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.7 | 178 | -72.2 | -176.1 | 177.2 | 0 | 0 | 111.4 | K177 Q178 K179 | K177-E395 HydrophobicContact CB-CB 4.13Å; K177-E395 HydrophobicContact CB-CG 4.34Å; Q178-E395 WeakPolarHBondContact O-CA 3.48Å; K179-E395 HydrophobicContact CG-CG 4.42Å |
| 396 | V | 86.7 | Confident | 86 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.5 | 178.8 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | K177 Q178 R180 L215 F236 V394 | K177-V396 WeakPolarHBondContact CA-O 3.46Å; Q178-V396 PolarHBondContact N-O 2.77Å; Q178-V396 PolarHBondContact O-N 3.13Å; R180-V396 HydrophobicContact CB-CG2 4.11Å; R180-V396 HydrophobicContact CG-CB 4.47Å; R180-V396 HydrophobicContact CG-CG2 3.97Å; L215-V396 HydrophobicContact CD1-CG2 4.42Å; L215-V396 HydrophobicContact CD2-CG2 4.25Å; F236-V396 HydrophobicContact CE1-CG2 4.16Å; V394-V396 HydrophobicContact CG2-CG2 4.47Å |
| 397 | D | 80 | Confident | 86.3 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 32% | 0.316 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 135.4 | 172.4 | -85.1 | 4.5 | 0 | 0 | 0 | 110.6 | K177 K401 | K177-D397 WeakPolarHBondContact CD-OD1 3.27Å; K177-D397 VanDerWaalsContact CE-OD1 3.26Å; K177-D397 WeakPolarHBondContact CE-OD1 3.36Å; K177-D397 IonicContact NZ-OD1 2.75Å; K177-D397 PolarHBondContact NZ-OD1 2.95Å; D397-K401 IonicContact OD2-NZ 3.69Å; D397-K401 PolarHBondContact OD2-NZ 3.18Å |
| 398 | D | 78 | Confident | 86.3 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -65.9 | 134.9 | 173.3 | -162.7 | -36.1 | 0 | 0 | 0 | 111.5 | I176 Q178 L400 K401 | I176-D398 HydrophobicContact CB-CB 4.44Å; I176-D398 WeakPolarHBondContact O-CB 3.45Å; I176-D398 PolarHBondContact O-N 2.96Å; Q178-D398 HydrophobicContact CG-CB 4.47Å; Q178-D398 PolarHBondContact NE2-OD1 3.32Å; Q178-D398 PolarHBondContact NE2-OD2 3.46Å; D398-L400 PolarHBondContact O-N 2.94Å; D398-L400 VanDerWaalsContact O-N 3.13Å; D398-L400 WeakPolarHBondContact OD1-CB 3.4Å; D398-L400 PolarHBondContact OD1-N 3.28Å; D398-K401 VanDerWaalsContact O-CB 3.3Å; D398-K401 WeakPolarHBondContact O-CB 3.36Å; D398-K401 PolarHBondContact O-N 3.48Å; D398-K401 VanDerWaalsContact O-N 3.11Å | ||
| 399 | T | 73.6 | Confident | 85.9 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.5 | 171.6 | 60 | 0 | 0 | 0 | 0 | 113.8 | K401 T402 | T399-K401 PolarHBondContact O-N 3.44Å; T399-T402 PolarHBondContact O-N 2.86Å; T399-T402 VanDerWaalsContact O-N 3.17Å |
| 400 | L | 79.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59 | -30.5 | 177.8 | -169.1 | 67.7 | 0 | 0 | 0 | 112.3 | D398 T402 Q403 M404 | D398-L400 PolarHBondContact O-N 2.94Å; D398-L400 VanDerWaalsContact O-N 3.13Å; D398-L400 WeakPolarHBondContact OD1-CB 3.4Å; D398-L400 PolarHBondContact OD1-N 3.28Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 2.78Å; L400-Q403 PolarHBondContact O-N 2.92Å; L400-M404 HydrophobicContact CD2-SD 3.99Å; L400-M404 HydrophobicContact CG-CG 4.07Å; L400-M404 HydrophobicContact CG-SD 3.83Å; L400-M404 WeakPolarHBondContact O-CB 3.32Å; L400-M404 VanDerWaalsContact O-CG 3.3Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.25Å |
| 401 | K | 81.6 | Confident | 83.9 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.1 | -41.5 | 177.3 | -176.2 | 179.8 | 175.8 | -178.1 | 0 | 112 | L172 D397 D398 T399 N405 | L172-K401 HydrophobicContact CD2-CB 4.4Å; L172-K401 HydrophobicContact CD2-CG 3.91Å; D397-K401 IonicContact OD2-NZ 3.69Å; D397-K401 PolarHBondContact OD2-NZ 3.18Å; D398-K401 VanDerWaalsContact O-CB 3.3Å; D398-K401 WeakPolarHBondContact O-CB 3.36Å; D398-K401 PolarHBondContact O-N 3.48Å; D398-K401 VanDerWaalsContact O-N 3.11Å; T399-K401 PolarHBondContact O-N 3.44Å; K401-N405 WeakPolarHBondContact O-CB 3.46Å; K401-N405 PolarHBondContact O-N 3.04Å; K401-N405 PolarHBondContact O-ND2 3.23Å |
| 402 | T | 81.9 | Confident | 82.4 | Confident | 97 Ų | 97 | 67 Ų | 67 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -42.4 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | T399 L400 N405 S406 | T399-T402 PolarHBondContact O-N 2.86Å; T399-T402 VanDerWaalsContact O-N 3.17Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 2.78Å; T402-N405 PolarHBondContact O-N 3.26Å; T402-S406 WeakPolarHBondContact O-CB 3.18Å; T402-S406 PolarHBondContact O-N 3.48Å |
| 403 | Q | 83.3 | Confident | 81.4 | Confident | 123 Ų | 123 | 69.3 Ų | 69.3 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 177.4 | -63.1 | 178.7 | 0.5 | 0 | 0 | 111.6 | L400 N405 S406 F407 | L400-Q403 PolarHBondContact O-N 2.92Å; Q403-N405 PolarHBondContact O-N 3.47Å; Q403-S406 WeakPolarHBondContact O-CB 3.33Å; Q403-S406 PolarHBondContact O-N 3.32Å; Q403-F407 PolarHBondContact O-N 3.27Å |
| 404 | M | 86.6 | Confident | 80.9 | Confident | 34 Ų | 34 | 70 Ų | 70 | 17% | 0.167 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.1 | -73.5 | 173.4 | 104.4 | 0 | 0 | 112 | I168 A171 L172 L400 S406 F407 L408 | I168-M404 HydrophobicContact CB-CE 4.05Å; I168-M404 HydrophobicContact CG1-CE 3.98Å; I168-M404 HydrophobicContact CG2-CB 3.81Å; I168-M404 HydrophobicContact CG2-CE 3.75Å; I168-M404 HydrophobicContact CG2-CG 4.05Å; A171-M404 HydrophobicContact CB-CE 3.73Å; L172-M404 HydrophobicContact CD1-CB 4.09Å; L172-M404 HydrophobicContact CD2-CB 3.94Å; L172-M404 HydrophobicContact CD2-SD 4.09Å; L172-M404 HydrophobicContact CG-CB 4.17Å; L172-M404 HydrophobicContact CG-SD 4.34Å; L400-M404 HydrophobicContact CD2-SD 3.99Å; L400-M404 HydrophobicContact CG-CG 4.07Å; L400-M404 HydrophobicContact CG-SD 3.83Å; L400-M404 WeakPolarHBondContact O-CB 3.32Å; L400-M404 VanDerWaalsContact O-CG 3.3Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.25Å; M404-S406 VanDerWaalsContact C-N 3.34Å; M404-F407 PolarHBondContact O-N 2.88Å; M404-L408 WeakPolarHBondContact O-CG 3.45Å; M404-L408 PolarHBondContact O-N 3.27Å |
| 405 | N | 86.2 | Confident | 80.7 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.2 | -79.5 | -50.5 | 0 | 0 | 0 | 112 | K401 T402 Q403 F407 L408 L409 | K401-N405 WeakPolarHBondContact O-CB 3.46Å; K401-N405 PolarHBondContact O-N 3.04Å; K401-N405 PolarHBondContact O-ND2 3.23Å; T402-N405 PolarHBondContact O-N 3.26Å; Q403-N405 PolarHBondContact O-N 3.47Å; N405-F407 VanDerWaalsContact C-N 3.35Å; N405-F407 PolarHBondContact O-N 3.37Å; N405-L408 PolarHBondContact O-N 2.86Å; N405-L409 WeakPolarHBondContact O-CB 3.36Å; N405-L409 VanDerWaalsContact O-CG 3.31Å; N405-L409 WeakPolarHBondContact O-CG 3.35Å; N405-L409 PolarHBondContact O-N 2.64Å |
| 406 | S | 86.9 | Confident | 80.8 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.2 | -45.1 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | T402 Q403 M404 L408 L409 S410 | T402-S406 WeakPolarHBondContact O-CB 3.18Å; T402-S406 PolarHBondContact O-N 3.48Å; Q403-S406 WeakPolarHBondContact O-CB 3.33Å; Q403-S406 PolarHBondContact O-N 3.32Å; M404-S406 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 2.86Å; S406-L409 PolarHBondContact O-N 3.45Å; S406-S410 WeakPolarHBondContact O-CB 3.05Å; S406-S410 PolarHBondContact O-N 3.37Å |
| 407 | F | 85.9 | Confident | 80.9 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.5 | 177.5 | -97.6 | 0 | 0 | 0 | 112.4 | I168 Q403 M404 N405 L409 S410 | I168-F407 HydrophobicContact CD1-CD1 3.51Å; I168-F407 HydrophobicContact CD1-CE1 3.62Å; I168-F407 HydrophobicContact CD1-CG 4.4Å; Q403-F407 PolarHBondContact O-N 3.27Å; M404-F407 PolarHBondContact O-N 2.88Å; N405-F407 VanDerWaalsContact C-N 3.35Å; N405-F407 PolarHBondContact O-N 3.37Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.82Å; F407-S410 PolarHBondContact O-N 2.81Å; F407-S410 PolarHBondContact O-OG 2.85Å |
| 408 | L | 85.9 | Confident | 81.3 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 11% | 0.11 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.9 | -33.6 | -179.4 | -70.5 | -176.9 | 0 | 0 | 0 | 114.1 | R165 I168 Q169 L172 M404 N405 S406 | R165-L408 HydrophobicContact CG-CD2 3.45Å; R165-L408 VanDerWaalsContact CG-CD2 3.45Å; R165-L408 PolarHBondContact NH2-O 2.83Å; R165-L408 VanDerWaalsContact NH2-O 3.1Å; I168-L408 HydrophobicContact CB-CD2 4.37Å; I168-L408 HydrophobicContact CG2-CD1 4.04Å; I168-L408 HydrophobicContact CG2-CD2 3.92Å; I168-L408 HydrophobicContact CG2-CG 3.87Å; Q169-L408 HydrophobicContact CG-CD1 3.7Å; Q169-L408 HydrophobicContact CG-CD2 3.91Å; Q169-L408 HydrophobicContact CG-CG 4.49Å; L172-L408 HydrophobicContact CD1-CD1 3.44Å; L172-L408 VanDerWaalsContact CD1-CD1 3.44Å; M404-L408 WeakPolarHBondContact O-CG 3.45Å; M404-L408 PolarHBondContact O-N 3.27Å; N405-L408 PolarHBondContact O-N 2.86Å; S406-L408 PolarHBondContact O-N 2.86Å |
| 409 | L | 82.8 | Confident | 81.9 | Confident | 136 Ų | 136 | 84.3 Ų | 84.3 | 71% | 0.712 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -83.4 | -19.9 | 178.1 | -70 | 170.1 | 0 | 0 | 0 | 112.5 | N405 S406 F407 T411 | N405-L409 WeakPolarHBondContact O-CB 3.36Å; N405-L409 VanDerWaalsContact O-CG 3.31Å; N405-L409 WeakPolarHBondContact O-CG 3.35Å; N405-L409 PolarHBondContact O-N 2.64Å; S406-L409 PolarHBondContact O-N 3.45Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.82Å; L409-T411 VanDerWaalsContact C-N 3.33Å; L409-T411 PolarHBondContact O-N 3.19Å |
| 410 | S | 78.6 | Confident | 82.8 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -66.5 | 93.8 | 175.1 | 74 | 0 | 0 | 0 | 0 | 110 | S406 F407 | S406-S410 WeakPolarHBondContact O-CB 3.05Å; S406-S410 PolarHBondContact O-N 3.37Å; F407-S410 PolarHBondContact O-N 2.81Å; F407-S410 PolarHBondContact O-OG 2.85Å | ||
| 411 | T | 67.1 | Low | 83.4 | Confident | 66 Ų | 66 | 83.4 Ų | 83.4 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | trans | -109.3 | 8.8 | 169.5 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | L409 S413 Q414 | L409-T411 VanDerWaalsContact C-N 3.33Å; L409-T411 PolarHBondContact O-N 3.19Å; T411-S413 PolarHBondContact O-N 3.35Å; T411-Q414 WeakPolarHBondContact O-CB 3.26Å; T411-Q414 PolarHBondContact O-N 3.15Å | ||
| 412 | A | 61.7 | Low | 83.8 | Confident | 94 Ų | 94 | 82.9 Ų | 82.9 | 78% | 0.777 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.8 | -166 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 413 | S | 72.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 85 Ų | 85 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.9 | -178 | -48.4 | 0 | 0 | 0 | 0 | 114.7 | T411 Q415 E416 I417 | T411-S413 PolarHBondContact O-N 3.35Å; S413-Q415 PolarHBondContact O-N 3.22Å; S413-E416 PolarHBondContact O-N 2.98Å; S413-I417 WeakPolarHBondContact O-CD1 3.3Å; S413-I417 WeakPolarHBondContact O-CG1 3.3Å; S413-I417 PolarHBondContact O-N 2.83Å |
| 414 | Q | 82.3 | Confident | 84.8 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -33.3 | -176 | -71.7 | -178.3 | -2.8 | 0 | 0 | 113.3 | T411 A418 | T411-Q414 WeakPolarHBondContact O-CB 3.26Å; T411-Q414 PolarHBondContact O-N 3.15Å; Q414-A418 WeakPolarHBondContact O-CB 3.32Å; Q414-A418 PolarHBondContact O-N 3Å |
| 415 | Q | 85.8 | Confident | 84.9 | Confident | 176 Ų | 176 | 81.6 Ų | 81.6 | 82% | 0.822 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.8 | -41 | 178.5 | -69.1 | -178.4 | -7.3 | 0 | 0 | 111.7 | S413 A418 G419 | S413-Q415 PolarHBondContact O-N 3.22Å; Q415-A418 PolarHBondContact O-N 2.6Å; Q415-G419 PolarHBondContact O-N 3.35Å |
| 416 | E | 90.1 | Very high | 85.2 | Confident | 134 Ų | 134 | 84.4 Ų | 84.4 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 175.6 | -173.2 | 179.9 | -176.7 | 0 | 0 | 111.2 | S413 A418 G419 L420 | S413-E416 PolarHBondContact O-N 2.98Å; E416-A418 VanDerWaalsContact C-N 3.3Å; E416-A418 PolarHBondContact O-N 2.83Å; E416-G419 PolarHBondContact O-N 2.8Å; E416-G419 VanDerWaalsContact O-N 3.1Å; E416-L420 PolarHBondContact O-N 2.83Å |
| 417 | I | 89.1 | Confident | 85.5 | Confident | 91 Ų | 91 | 84 Ų | 84 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 174 | -67.8 | 166.4 | 0 | 0 | 0 | 110.7 | S413 G419 L420 D421 | S413-I417 WeakPolarHBondContact O-CD1 3.3Å; S413-I417 WeakPolarHBondContact O-CG1 3.3Å; S413-I417 PolarHBondContact O-N 2.83Å; I417-G419 VanDerWaalsContact C-N 3.29Å; I417-G419 PolarHBondContact O-N 2.71Å; I417-L420 PolarHBondContact O-N 2.83Å; I417-D421 WeakPolarHBondContact O-CB 3.21Å; I417-D421 PolarHBondContact O-N 3.01Å |
| 418 | A | 88.8 | Confident | 85.7 | Confident | 44 Ų | 44 | 80 Ų | 80 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q414 Q415 E416 N422 | Q414-A418 WeakPolarHBondContact O-CB 3.32Å; Q414-A418 PolarHBondContact O-N 3Å; Q415-A418 PolarHBondContact O-N 2.6Å; E416-A418 VanDerWaalsContact C-N 3.3Å; E416-A418 PolarHBondContact O-N 2.83Å; A418-N422 PolarHBondContact O-N 3.14Å; A418-N422 PolarHBondContact O-ND2 3.3Å |
| 419 | G | 91.4 | Very high | 85.9 | Confident | 38 Ų | 38 | 84.6 Ų | 84.6 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q415 E416 I417 D421 N422 K423 | Q415-G419 PolarHBondContact O-N 3.35Å; E416-G419 PolarHBondContact O-N 2.8Å; E416-G419 VanDerWaalsContact O-N 3.1Å; I417-G419 VanDerWaalsContact C-N 3.29Å; I417-G419 PolarHBondContact O-N 2.71Å; G419-D421 VanDerWaalsContact C-N 3.32Å; G419-D421 PolarHBondContact O-N 2.87Å; G419-N422 WeakPolarHBondContact O-CB 3.36Å; G419-N422 PolarHBondContact O-N 3.02Å; G419-K423 PolarHBondContact O-N 2.85Å; G419-K423 VanDerWaalsContact O-N 3.13Å |
| 420 | L | 92.4 | Very high | 86.5 | Confident | 97 Ų | 97 | 81.4 Ų | 81.4 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.1 | -70.5 | 173.6 | 0 | 0 | 0 | 111.6 | E416 I417 N422 K423 I424 | E416-L420 PolarHBondContact O-N 2.83Å; I417-L420 PolarHBondContact O-N 2.83Å; L420-N422 PolarHBondContact O-N 3.03Å; L420-K423 WeakPolarHBondContact O-CB 3.28Å; L420-K423 PolarHBondContact O-N 2.89Å; L420-I424 WeakPolarHBondContact O-CG1 3.41Å; L420-I424 PolarHBondContact O-N 2.83Å |
| 421 | D | 90.6 | Very high | 87.1 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 17% | 0.171 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.3 | -92.6 | -9.2 | 0 | 0 | 0 | 111.4 | K131 I417 G419 K423 I424 H425 | K131-D421 IonicContact NZ-OD1 2.64Å; K131-D421 PolarHBondContact NZ-OD1 3.26Å; K131-D421 IonicContact NZ-OD2 2.89Å; K131-D421 PolarHBondContact NZ-OD2 3.17Å; I417-D421 WeakPolarHBondContact O-CB 3.21Å; I417-D421 PolarHBondContact O-N 3.01Å; G419-D421 VanDerWaalsContact C-N 3.32Å; G419-D421 PolarHBondContact O-N 2.87Å; D421-K423 VanDerWaalsContact C-N 3.28Å; D421-K423 PolarHBondContact O-N 2.94Å; D421-I424 WeakPolarHBondContact O-CB 3.25Å; D421-I424 PolarHBondContact O-N 3.03Å; D421-H425 PolarHBondContact O-N 3.4Å; D421-H425 PolarHBondContact O-ND1 3.26Å |
| 422 | N | 90.4 | Very high | 88.2 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.8 | -46.7 | 175.7 | -75.6 | -26.1 | 0 | 0 | 0 | 111.7 | K126 A418 G419 L420 I424 H425 E426 | K126-N422 VanDerWaalsContact CE-OD1 3.31Å; K126-N422 WeakPolarHBondContact CE-OD1 3.41Å; K126-N422 PolarHBondContact NZ-OD1 3.38Å; A418-N422 PolarHBondContact O-N 3.14Å; A418-N422 PolarHBondContact O-ND2 3.3Å; G419-N422 WeakPolarHBondContact O-CB 3.36Å; G419-N422 PolarHBondContact O-N 3.02Å; L420-N422 PolarHBondContact O-N 3.03Å; N422-I424 VanDerWaalsContact C-N 3.31Å; N422-I424 PolarHBondContact O-N 3.34Å; N422-H425 PolarHBondContact O-N 2.99Å; N422-H425 VanDerWaalsContact O-N 3.09Å; N422-E426 WeakPolarHBondContact O-CG 3.32Å; N422-E426 PolarHBondContact O-N 2.92Å |
| 423 | K | 94.6 | Very high | 89.6 | Confident | 140 Ų | 140 | 80.5 Ų | 80.5 | 61% | 0.609 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 179.5 | -167.7 | 174.7 | -177.2 | 178.2 | 0 | 112.3 | G419 L420 D421 T427 | G419-K423 PolarHBondContact O-N 2.85Å; G419-K423 VanDerWaalsContact O-N 3.13Å; L420-K423 WeakPolarHBondContact O-CB 3.28Å; L420-K423 PolarHBondContact O-N 2.89Å; D421-K423 VanDerWaalsContact C-N 3.28Å; D421-K423 PolarHBondContact O-N 2.94Å; K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 2.88Å; K423-T427 PolarHBondContact O-OG1 3.45Å |
| 424 | I | 91.6 | Very high | 90.6 | Very high | 57 Ų | 57 | 82 Ų | 82 | 29% | 0.292 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 173 | -70.9 | 167.7 | 0 | 0 | 0 | 110.3 | Y147 L420 D421 N422 T427 I428 | Y147-I424 WeakPolarHBondContact OH-CG2 3.26Å; L420-I424 WeakPolarHBondContact O-CG1 3.41Å; L420-I424 PolarHBondContact O-N 2.83Å; D421-I424 WeakPolarHBondContact O-CB 3.25Å; D421-I424 PolarHBondContact O-N 3.03Å; N422-I424 VanDerWaalsContact C-N 3.31Å; N422-I424 PolarHBondContact O-N 3.34Å; I424-T427 PolarHBondContact O-N 3.27Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 WeakPolarHBondContact O-CG1 3.37Å; I424-I428 PolarHBondContact O-N 2.92Å |
| 425 | H | 89.4 | Confident | 91.1 | Very high | 29 Ų | 29 | 78.4 Ų | 78.4 | 13% | 0.134 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | -179.6 | -70.1 | 82.8 | 0 | 0 | 0 | 112 | D421 N422 T427 I428 E429 | D421-H425 PolarHBondContact O-N 3.4Å; D421-H425 PolarHBondContact O-ND1 3.26Å; N422-H425 PolarHBondContact O-N 2.99Å; N422-H425 VanDerWaalsContact O-N 3.09Å; H425-T427 VanDerWaalsContact C-N 3.26Å; H425-T427 PolarHBondContact O-N 2.79Å; H425-I428 PolarHBondContact O-N 3.42Å; H425-E429 PolarHBondContact O-N 2.92Å |
| 426 | E | 92.3 | Very high | 91.4 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.6 | -39.8 | 177.2 | -71.2 | 171.6 | -170.8 | 0 | 0 | 111.7 | N422 E429 T430 | N422-E426 WeakPolarHBondContact O-CG 3.32Å; N422-E426 PolarHBondContact O-N 2.92Å; E426-E429 PolarHBondContact O-N 2.79Å; E426-T430 PolarHBondContact O-N 3.08Å; E426-T430 PolarHBondContact O-OG1 3.46Å |
| 427 | T | 93 | Very high | 91.6 | Very high | 72 Ų | 72 | 73.2 Ų | 73.2 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | K423 I424 H425 E429 T430 I431 | K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 2.88Å; K423-T427 PolarHBondContact O-OG1 3.45Å; I424-T427 PolarHBondContact O-N 3.27Å; H425-T427 VanDerWaalsContact C-N 3.26Å; H425-T427 PolarHBondContact O-N 2.79Å; T427-E429 PolarHBondContact O-N 2.89Å; T427-T430 PolarHBondContact O-N 2.73Å; T427-I431 HydrophobicContact CG2-CD1 4.11Å; T427-I431 VanDerWaalsContact O-CG1 3.28Å; T427-I431 WeakPolarHBondContact O-CG1 3.47Å; T427-I431 PolarHBondContact O-N 3.33Å |
| 428 | I | 90.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.2 | -71 | 171.4 | 0 | 0 | 0 | 111.3 | K131 L133 I424 H425 T430 I431 N432 | K131-I428 WeakPolarHBondContact O-CD1 3.47Å; L133-I428 HydrophobicContact CD2-CG1 4.14Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 WeakPolarHBondContact O-CG1 3.37Å; I424-I428 PolarHBondContact O-N 2.92Å; H425-I428 PolarHBondContact O-N 3.42Å; I428-T430 VanDerWaalsContact C-N 3.34Å; I428-I431 WeakPolarHBondContact O-CB 3.39Å; I428-I431 PolarHBondContact O-N 2.78Å; I428-N432 VanDerWaalsContact O-CG 3.3Å; I428-N432 PolarHBondContact O-N 3.3Å; I428-N432 PolarHBondContact O-ND2 3.43Å |
| 429 | E | 90.1 | Very high | 91.9 | Very high | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 175.4 | -173.7 | 173.4 | -173.6 | 0 | 0 | 111.2 | H425 E426 T427 I431 N432 Q433 | H425-E429 PolarHBondContact O-N 2.92Å; E426-E429 PolarHBondContact O-N 2.79Å; T427-E429 PolarHBondContact O-N 2.89Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.13Å; E429-N432 WeakPolarHBondContact O-CB 3.46Å; E429-N432 PolarHBondContact O-N 2.85Å; E429-N432 VanDerWaalsContact O-N 3.12Å; E429-Q433 WeakPolarHBondContact O-CG 3.43Å; E429-Q433 PolarHBondContact O-N 3.44Å |
| 430 | T | 94.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 77 Ų | 77 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.8 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | E426 T427 I428 N432 Q433 L434 | E426-T430 PolarHBondContact O-N 3.08Å; E426-T430 PolarHBondContact O-OG1 3.46Å; T427-T430 PolarHBondContact O-N 2.73Å; I428-T430 VanDerWaalsContact C-N 3.34Å; T430-N432 VanDerWaalsContact C-N 3.3Å; T430-N432 PolarHBondContact O-N 3.25Å; T430-Q433 PolarHBondContact O-N 3.07Å; T430-L434 HydrophobicContact CG2-CD1 4.13Å; T430-L434 HydrophobicContact CG2-CG 4.48Å; T430-L434 WeakPolarHBondContact O-CB 3.17Å; T430-L434 WeakPolarHBondContact O-CG 3.06Å; T430-L434 PolarHBondContact O-N 2.75Å |
| 431 | I | 91.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.8 | -71.2 | 165.9 | 0 | 0 | 0 | 111 | L133 I137 T427 I428 E429 L434 K435 | L133-I431 HydrophobicContact CD2-CD1 4.2Å; L133-I431 HydrophobicContact CD2-CG2 4.44Å; I137-I431 HydrophobicContact CD1-CG2 4.4Å; I137-I431 HydrophobicContact CG1-CG2 4.18Å; I137-I431 HydrophobicContact CG2-CG2 4.2Å; T427-I431 HydrophobicContact CG2-CD1 4.11Å; T427-I431 VanDerWaalsContact O-CG1 3.28Å; T427-I431 WeakPolarHBondContact O-CG1 3.47Å; T427-I431 PolarHBondContact O-N 3.33Å; I428-I431 WeakPolarHBondContact O-CB 3.39Å; I428-I431 PolarHBondContact O-N 2.78Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.13Å; I431-L434 PolarHBondContact O-N 3.21Å; I431-K435 VanDerWaalsContact O-CB 3.29Å; I431-K435 WeakPolarHBondContact O-CB 3.12Å; I431-K435 PolarHBondContact O-N 3.12Å |
| 432 | N | 89.5 | Confident | 92.4 | Very high | 57 Ų | 57 | 80.9 Ų | 80.9 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 179 | -72.3 | -31.9 | 0 | 0 | 0 | 112.7 | P134 I428 E429 T430 K435 T436 | P134-N432 WeakPolarHBondContact CD-OD1 3.26Å; P134-N432 WeakPolarHBondContact CG-OD1 3.44Å; I428-N432 VanDerWaalsContact O-CG 3.3Å; I428-N432 PolarHBondContact O-N 3.3Å; I428-N432 PolarHBondContact O-ND2 3.43Å; E429-N432 WeakPolarHBondContact O-CB 3.46Å; E429-N432 PolarHBondContact O-N 2.85Å; E429-N432 VanDerWaalsContact O-N 3.12Å; T430-N432 VanDerWaalsContact C-N 3.3Å; T430-N432 PolarHBondContact O-N 3.25Å; N432-K435 WeakPolarHBondContact O-CB 3.4Å; N432-T436 PolarHBondContact O-N 3.48Å; N432-T436 VanDerWaalsContact O-N 3.1Å; N432-T436 PolarHBondContact O-OG1 2.96Å |
| 433 | Q | 92.3 | Very high | 92.6 | Very high | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63 | -49.8 | 174.3 | -68.6 | 172.7 | 9.3 | 0 | 0 | 110.6 | E429 T430 K435 T436 Q437 | E429-Q433 WeakPolarHBondContact O-CG 3.43Å; E429-Q433 PolarHBondContact O-N 3.44Å; T430-Q433 PolarHBondContact O-N 3.07Å; Q433-K435 VanDerWaalsContact C-N 3.34Å; Q433-K435 PolarHBondContact O-N 3.44Å; Q433-T436 PolarHBondContact O-N 2.83Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.25Å |
| 434 | L | 93.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 77.7 Ų | 77.7 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 178.4 | -68.8 | 175.2 | 0 | 0 | 0 | 112.5 | T430 I431 T436 Q437 R438 | T430-L434 HydrophobicContact CG2-CD1 4.13Å; T430-L434 HydrophobicContact CG2-CG 4.48Å; T430-L434 WeakPolarHBondContact O-CB 3.17Å; T430-L434 WeakPolarHBondContact O-CG 3.06Å; T430-L434 PolarHBondContact O-N 2.75Å; I431-L434 PolarHBondContact O-N 3.21Å; L434-T436 VanDerWaalsContact C-N 3.34Å; L434-T436 PolarHBondContact O-N 3.41Å; L434-Q437 PolarHBondContact O-N 3.1Å; L434-R438 VanDerWaalsContact O-CB 3.32Å; L434-R438 WeakPolarHBondContact O-CB 3.28Å; L434-R438 PolarHBondContact O-N 3.29Å |
| 435 | K | 91.9 | Very high | 92.9 | Very high | 34 Ų | 34 | 78.8 Ų | 78.8 | 15% | 0.148 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.5 | -50.5 | 171.7 | -177.6 | -155.3 | 175.6 | -101.8 | 0 | 110.9 | I137 I431 N432 Q433 R438 E439 | I137-K435 HydrophobicContact CD1-CB 3.74Å; I137-K435 HydrophobicContact CD1-CD 4.27Å; I137-K435 HydrophobicContact CD1-CG 3.61Å; I137-K435 HydrophobicContact CG1-CB 4.09Å; I137-K435 HydrophobicContact CG1-CD 3.89Å; I137-K435 HydrophobicContact CG1-CG 3.82Å; I431-K435 VanDerWaalsContact O-CB 3.29Å; I431-K435 WeakPolarHBondContact O-CB 3.12Å; I431-K435 PolarHBondContact O-N 3.12Å; N432-K435 WeakPolarHBondContact O-CB 3.4Å; Q433-K435 VanDerWaalsContact C-N 3.34Å; Q433-K435 PolarHBondContact O-N 3.44Å; K435-R438 PolarHBondContact O-N 2.77Å; K435-E439 WeakPolarHBondContact CE-OE1 3.29Å; K435-E439 IonicContact NZ-OE1 2.72Å; K435-E439 PolarHBondContact NZ-OE1 2.77Å; K435-E439 IonicContact NZ-OE2 2.85Å; K435-E439 PolarHBondContact NZ-OE2 3.05Å; K435-E439 WeakPolarHBondContact O-CG 3.06Å; K435-E439 PolarHBondContact O-N 3.06Å |
| 436 | T | 91.7 | Very high | 93.3 | Very high | 87 Ų | 87 | 88.2 Ų | 88.2 | 53% | 0.534 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | -176 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | N432 Q433 L434 E439 F440 | N432-T436 PolarHBondContact O-N 3.48Å; N432-T436 VanDerWaalsContact O-N 3.1Å; N432-T436 PolarHBondContact O-OG1 2.96Å; Q433-T436 PolarHBondContact O-N 2.83Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; L434-T436 VanDerWaalsContact C-N 3.34Å; L434-T436 PolarHBondContact O-N 3.41Å; T436-E439 PolarHBondContact O-N 3.1Å; T436-F440 WeakPolarHBondContact O-CB 3.48Å; T436-F440 PolarHBondContact O-N 3.3Å |
| 437 | Q | 94.2 | Very high | 93.4 | Very high | 113 Ų | 113 | 86.3 Ų | 86.3 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.3 | -68.6 | 175 | 4.1 | 0 | 0 | 111.8 | Q433 L434 E439 F440 M441 | Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.25Å; L434-Q437 PolarHBondContact O-N 3.1Å; Q437-E439 PolarHBondContact O-N 2.85Å; Q437-F440 WeakPolarHBondContact O-CB 3.39Å; Q437-F440 PolarHBondContact O-N 2.85Å; Q437-M441 VanDerWaalsContact O-CG 3.26Å; Q437-M441 WeakPolarHBondContact O-CG 3.34Å; Q437-M441 PolarHBondContact O-N 2.77Å |
| 438 | R | 92.7 | Very high | 93.6 | Very high | 121 Ų | 121 | 85.9 Ų | 85.9 | 46% | 0.457 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -47 | 177 | -179.4 | -178.6 | 178.6 | -88.5 | 2.6 | 111.8 | L140 L434 K435 F440 M441 L442 | L140-R438 VanDerWaalsContact CD1-NH1 3.32Å; L434-R438 VanDerWaalsContact O-CB 3.32Å; L434-R438 WeakPolarHBondContact O-CB 3.28Å; L434-R438 PolarHBondContact O-N 3.29Å; K435-R438 PolarHBondContact O-N 2.77Å; R438-F440 VanDerWaalsContact C-N 3.34Å; R438-M441 PolarHBondContact O-N 3.31Å; R438-L442 HydrophobicContact CG-CD1 3.94Å; R438-L442 HydrophobicContact CG-CG 4.41Å; R438-L442 WeakPolarHBondContact O-CB 3.43Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.45Å; R438-L442 PolarHBondContact O-N 2.83Å |
| 439 | E | 91.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 92.5 Ų | 92.5 | 23% | 0.234 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.1 | -76 | -179.3 | 154.3 | 0 | 0 | 111.6 | R136 K435 T436 Q437 L442 S443 | R136-E439 WeakPolarHBondContact CD-OE1 3.18Å; R136-E439 IonicContact CZ-OE1 3Å; R136-E439 IonicContact NE-OE1 3.78Å; R136-E439 IonicContact NH1-OE1 2.76Å; R136-E439 PolarHBondContact NH1-OE1 2.88Å; R136-E439 IonicContact NH1-OE2 3.73Å; K435-E439 WeakPolarHBondContact CE-OE1 3.29Å; K435-E439 IonicContact NZ-OE1 2.72Å; K435-E439 PolarHBondContact NZ-OE1 2.77Å; K435-E439 IonicContact NZ-OE2 2.85Å; K435-E439 PolarHBondContact NZ-OE2 3.05Å; K435-E439 WeakPolarHBondContact O-CG 3.06Å; K435-E439 PolarHBondContact O-N 3.06Å; T436-E439 PolarHBondContact O-N 3.1Å; Q437-E439 PolarHBondContact O-N 2.85Å; E439-L442 PolarHBondContact O-N 3.29Å; E439-S443 PolarHBondContact O-N 3.4Å; E439-S443 PolarHBondContact O-OG 3.38Å; E439-S443 VanDerWaalsContact O-OG 3.06Å |
| 440 | F | 94.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 87.8 Ų | 87.8 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 175.4 | -178.4 | -80.3 | 0 | 0 | 0 | 112.2 | T436 Q437 R438 L442 S443 F444 F451 W455 | T436-F440 WeakPolarHBondContact O-CB 3.48Å; T436-F440 PolarHBondContact O-N 3.3Å; Q437-F440 WeakPolarHBondContact O-CB 3.39Å; Q437-F440 PolarHBondContact O-N 2.85Å; R438-F440 VanDerWaalsContact C-N 3.34Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.87Å; F440-S443 WeakPolarHBondContact CA-OG 3.42Å; F440-S443 PolarHBondContact O-N 3.02Å; F440-S443 PolarHBondContact O-OG 2.62Å; F440-F444 PolarHBondContact O-N 3.1Å; F440-F444 VanDerWaalsContact O-N 3.09Å; F440-F451 HydrophobicContact CD1-CZ 4.13Å; F440-F451 HydrophobicContact CD2-CE2 4.3Å; F440-F451 AromaticContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CE1-CE1 4.22Å; F440-F451 AromaticContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE2-CE1 4.22Å; F440-F451 HydrophobicContact CE2-CE2 4.42Å; F440-F451 AromaticContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CE2-CZ 3.47Å; F440-F451 VanDerWaalsContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CG-CZ 4.03Å; F440-F451 AromaticContact CZ-CE1 3.9Å; F440-F451 HydrophobicContact CZ-CE1 3.9Å; F440-F451 AromaticContact CZ-CZ 3.55Å; F440-F451 HydrophobicContact CZ-CZ 3.55Å; F440-W455 AromaticContact CE2-CD1 3.87Å; F440-W455 AromaticContact CE2-NE1 3.96Å |
| 441 | M | 95.9 | Very high | 94.3 | Very high | 121 Ų | 121 | 86 Ų | 86 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 179.6 | -63.9 | -62.3 | 163 | 0 | 0 | 111.5 | Q437 R438 A445 | Q437-M441 VanDerWaalsContact O-CG 3.26Å; Q437-M441 WeakPolarHBondContact O-CG 3.34Å; Q437-M441 PolarHBondContact O-N 2.77Å; R438-M441 PolarHBondContact O-N 3.31Å; M441-A445 WeakPolarHBondContact O-CB 3.38Å; M441-A445 PolarHBondContact O-N 3.04Å |
| 442 | L | 94.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 87 Ų | 87 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.8 | -74.1 | 175.4 | 0 | 0 | 0 | 112.9 | R438 E439 F440 A445 R446 | R438-L442 HydrophobicContact CG-CD1 3.94Å; R438-L442 HydrophobicContact CG-CG 4.41Å; R438-L442 WeakPolarHBondContact O-CB 3.43Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.45Å; R438-L442 PolarHBondContact O-N 2.83Å; E439-L442 PolarHBondContact O-N 3.29Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.87Å; L442-A445 PolarHBondContact O-N 3.36Å; L442-R446 WeakPolarHBondContact O-CB 3.09Å; L442-R446 PolarHBondContact O-N 3.01Å; L442-R446 VanDerWaalsContact O-N 3.07Å |
| 443 | S | 94.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 88.2 Ų | 88.2 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 175.8 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | E439 F440 R446 D447 F451 | E439-S443 PolarHBondContact O-N 3.4Å; E439-S443 PolarHBondContact O-OG 3.38Å; E439-S443 VanDerWaalsContact O-OG 3.06Å; F440-S443 WeakPolarHBondContact CA-OG 3.42Å; F440-S443 PolarHBondContact O-N 3.02Å; F440-S443 PolarHBondContact O-OG 2.62Å; S443-R446 PolarHBondContact O-N 3.35Å; S443-D447 PolarHBondContact O-N 3.07Å; S443-F451 VanDerWaalsContact OG-CD2 3.3Å; S443-F451 WeakPolarHBondContact OG-CD2 3.47Å; S443-F451 WeakPolarHBondContact OG-CE2 3.32Å |
| 444 | F | 95.8 | Very high | 95.1 | Very high | 93 Ų | 93 | 88.3 Ų | 88.3 | 41% | 0.408 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.2 | -179.3 | -90.1 | 0 | 0 | 0 | 111.8 | F440 R446 D447 P448 F451 I452 | F440-F444 PolarHBondContact O-N 3.1Å; F440-F444 VanDerWaalsContact O-N 3.09Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 2.91Å; F444-D447 CarbonylContact O-C 3.46Å; F444-P448 HydrophobicContact CD2-CB 4.39Å; F444-P448 HydrophobicContact CE1-CB 4.28Å; F444-P448 HydrophobicContact CE2-CB 4.06Å; F444-P448 HydrophobicContact CZ-CB 4Å; F444-P448 VanDerWaalsContact O-CA 3.26Å; F444-P448 WeakPolarHBondContact O-CA 3.25Å; F444-P448 WeakPolarHBondContact O-CB 3.4Å; F444-P448 WeakPolarHBondContact O-CD 3.34Å; F444-P448 VanDerWaalsContact O-N 3.15Å; F444-F451 HydrophobicContact CB-CD1 3.93Å; F444-F451 HydrophobicContact CB-CE1 4.01Å; F444-F451 HydrophobicContact CB-CG 4.19Å; F444-F451 HydrophobicContact CB-CZ 4.37Å; F444-F451 AromaticContact CD2-CD1 3.5Å; F444-F451 HydrophobicContact CD2-CD1 3.5Å; F444-F451 AromaticContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CG 4.34Å; F444-F451 HydrophobicContact CE2-CD1 4.49Å; F444-F451 HydrophobicContact CG-CD1 4.21Å; F444-F451 HydrophobicContact CG-CE1 4.41Å; F444-I452 HydrophobicContact CE2-CD1 4.1Å; F444-I452 HydrophobicContact CE2-CG1 4.12Å |
| 445 | A | 96.9 | Very high | 95.2 | Very high | 79 Ų | 79 | 88.6 Ų | 88.6 | 65% | 0.653 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.2 | -25.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M441 L442 | M441-A445 WeakPolarHBondContact O-CB 3.38Å; M441-A445 PolarHBondContact O-N 3.04Å; L442-A445 PolarHBondContact O-N 3.36Å |
| 446 | R | 96.3 | Very high | 95.4 | Very high | 227 Ų | 227 | 91.6 Ų | 91.6 | 86% | 0.857 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -79.8 | -45.7 | 180 | -178.1 | -179.3 | -79.2 | -173.4 | -5.4 | 112.5 | L442 S443 F444 | L442-R446 WeakPolarHBondContact O-CB 3.09Å; L442-R446 PolarHBondContact O-N 3.01Å; L442-R446 VanDerWaalsContact O-N 3.07Å; S443-R446 PolarHBondContact O-N 3.35Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 2.91Å |
| 447 | D | 96.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | trans | -148 | 89.5 | 176.8 | 176.5 | 12.5 | 0 | 0 | 0 | 109.7 | S443 F444 Q449 G450 F451 | S443-D447 PolarHBondContact O-N 3.07Å; F444-D447 CarbonylContact O-C 3.46Å; D447-Q449 VanDerWaalsContact C-N 3.32Å; D447-Q449 PolarHBondContact O-N 3.21Å; D447-Q449 PolarHBondContact OD1-N 2.66Å; D447-G450 PolarHBondContact OD1-N 3.36Å; D447-G450 VanDerWaalsContact OD1-N 3.1Å; D447-G450 WeakPolarHBondContact OD2-CA 3.46Å; D447-F451 WeakPolarHBondContact O-CB 3.36Å; D447-F451 PolarHBondContact O-N 3.2Å | ||
| 448 | P | 96.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 90.4 Ų | 90.4 | 41% | 0.409 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.7 | -32.4 | -173.6 | 24.9 | -33.1 | 0 | 0 | 0 | 112.4 | F444 I452 | F444-P448 HydrophobicContact CD2-CB 4.39Å; F444-P448 HydrophobicContact CE1-CB 4.28Å; F444-P448 HydrophobicContact CE2-CB 4.06Å; F444-P448 HydrophobicContact CZ-CB 4Å; F444-P448 VanDerWaalsContact O-CA 3.26Å; F444-P448 WeakPolarHBondContact O-CA 3.25Å; F444-P448 WeakPolarHBondContact O-CB 3.4Å; F444-P448 WeakPolarHBondContact O-CD 3.34Å; F444-P448 VanDerWaalsContact O-N 3.15Å; P448-I452 WeakPolarHBondContact O-CB 3.31Å; P448-I452 WeakPolarHBondContact O-CD1 3.22Å; P448-I452 WeakPolarHBondContact O-CG1 3.24Å; P448-I452 PolarHBondContact O-N 3.32Å |
| 449 | Q | 96.1 | Very high | 95.7 | Very high | 148 Ų | 148 | 88.9 Ų | 88.9 | 69% | 0.692 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.5 | -49.9 | -178.2 | -174.6 | -179.3 | 4.7 | 0 | 0 | 111.1 | D447 F451 I452 N453 | D447-Q449 VanDerWaalsContact C-N 3.32Å; D447-Q449 PolarHBondContact O-N 3.21Å; D447-Q449 PolarHBondContact OD1-N 2.66Å; Q449-F451 VanDerWaalsContact C-N 3.3Å; Q449-F451 PolarHBondContact O-N 2.76Å; Q449-I452 PolarHBondContact O-N 2.77Å; Q449-N453 PolarHBondContact O-N 2.81Å; Q449-N453 PolarHBondContact O-ND2 3.39Å |
| 450 | G | 96.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 89.5 Ų | 89.5 | 20% | 0.196 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | D447 I452 N453 D454 | D447-G450 PolarHBondContact OD1-N 3.36Å; D447-G450 VanDerWaalsContact OD1-N 3.1Å; D447-G450 WeakPolarHBondContact OD2-CA 3.46Å; G450-I452 PolarHBondContact O-N 2.92Å; G450-N453 WeakPolarHBondContact O-CB 3.22Å; G450-N453 PolarHBondContact O-N 3.42Å; G450-D454 PolarHBondContact O-N 3.17Å |
| 451 | F | 97.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 93.9 Ų | 93.9 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 178.2 | 177.9 | -89 | 0 | 0 | 0 | 113.6 | F440 S443 F444 D447 Q449 N453 D454 W455 | F440-F451 HydrophobicContact CD1-CZ 4.13Å; F440-F451 HydrophobicContact CD2-CE2 4.3Å; F440-F451 AromaticContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CE1-CE1 4.22Å; F440-F451 AromaticContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE2-CE1 4.22Å; F440-F451 HydrophobicContact CE2-CE2 4.42Å; F440-F451 AromaticContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CE2-CZ 3.47Å; F440-F451 VanDerWaalsContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CG-CZ 4.03Å; F440-F451 AromaticContact CZ-CE1 3.9Å; F440-F451 HydrophobicContact CZ-CE1 3.9Å; F440-F451 AromaticContact CZ-CZ 3.55Å; F440-F451 HydrophobicContact CZ-CZ 3.55Å; S443-F451 VanDerWaalsContact OG-CD2 3.3Å; S443-F451 WeakPolarHBondContact OG-CD2 3.47Å; S443-F451 WeakPolarHBondContact OG-CE2 3.32Å; F444-F451 HydrophobicContact CB-CD1 3.93Å; F444-F451 HydrophobicContact CB-CE1 4.01Å; F444-F451 HydrophobicContact CB-CG 4.19Å; F444-F451 HydrophobicContact CB-CZ 4.37Å; F444-F451 AromaticContact CD2-CD1 3.5Å; F444-F451 HydrophobicContact CD2-CD1 3.5Å; F444-F451 AromaticContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CG 4.34Å; F444-F451 HydrophobicContact CE2-CD1 4.49Å; F444-F451 HydrophobicContact CG-CD1 4.21Å; F444-F451 HydrophobicContact CG-CE1 4.41Å; D447-F451 WeakPolarHBondContact O-CB 3.36Å; D447-F451 PolarHBondContact O-N 3.2Å; Q449-F451 VanDerWaalsContact C-N 3.3Å; Q449-F451 PolarHBondContact O-N 2.76Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.12Å; F451-D454 PolarHBondContact O-N 2.83Å; F451-W455 HydrophobicContact CE1-CB 4.27Å; F451-W455 VanDerWaalsContact O-CB 3.24Å; F451-W455 WeakPolarHBondContact O-CB 3.26Å; F451-W455 PolarHBondContact O-N 2.91Å |
| 452 | I | 96.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 91.5 Ų | 91.5 | 40% | 0.395 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 178.7 | -73 | 165.4 | 0 | 0 | 0 | 110.6 | F444 P448 Q449 G450 W455 L456 | F444-I452 HydrophobicContact CE2-CD1 4.1Å; F444-I452 HydrophobicContact CE2-CG1 4.12Å; P448-I452 WeakPolarHBondContact O-CB 3.31Å; P448-I452 WeakPolarHBondContact O-CD1 3.22Å; P448-I452 WeakPolarHBondContact O-CG1 3.24Å; P448-I452 PolarHBondContact O-N 3.32Å; Q449-I452 PolarHBondContact O-N 2.77Å; G450-I452 PolarHBondContact O-N 2.92Å; I452-W455 PolarHBondContact O-N 3.4Å; I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 HydrophobicContact CG2-CG 4.47Å; I452-L456 WeakPolarHBondContact O-CG 3.42Å; I452-L456 PolarHBondContact O-N 3.38Å |
| 453 | N | 96.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 93.5 Ų | 93.5 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 176.6 | -70.6 | -30.2 | 0 | 0 | 0 | 111.7 | Q449 G450 F451 W455 L456 Q457 | Q449-N453 PolarHBondContact O-N 2.81Å; Q449-N453 PolarHBondContact O-ND2 3.39Å; G450-N453 WeakPolarHBondContact O-CB 3.22Å; G450-N453 PolarHBondContact O-N 3.42Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.12Å; N453-W455 VanDerWaalsContact C-N 3.31Å; N453-W455 PolarHBondContact O-N 3.15Å; N453-L456 PolarHBondContact O-N 3.11Å; N453-Q457 WeakPolarHBondContact O-CG 3.47Å; N453-Q457 PolarHBondContact O-N 2.98Å; N453-Q457 VanDerWaalsContact O-N 3.09Å |
| 454 | D | 96.3 | Very high | 95.4 | Very high | 103 Ų | 103 | 93.4 Ų | 93.4 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | 177 | -72.2 | -11.4 | 0 | 0 | 0 | 111.5 | G450 F451 Q457 S458 | G450-D454 PolarHBondContact O-N 3.17Å; F451-D454 PolarHBondContact O-N 2.83Å; D454-Q457 PolarHBondContact O-N 3.14Å; D454-S458 WeakPolarHBondContact O-CB 3.29Å; D454-S458 PolarHBondContact O-N 3.06Å |
| 455 | W | 96.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 93.5 Ų | 93.5 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 178.7 | -175.7 | 76.6 | 0 | 0 | 0 | 111.9 | F440 F451 I452 N453 Q457 S458 Q459 | F440-W455 AromaticContact CE2-CD1 3.87Å; F440-W455 AromaticContact CE2-NE1 3.96Å; F451-W455 HydrophobicContact CE1-CB 4.27Å; F451-W455 VanDerWaalsContact O-CB 3.24Å; F451-W455 WeakPolarHBondContact O-CB 3.26Å; F451-W455 PolarHBondContact O-N 2.91Å; I452-W455 PolarHBondContact O-N 3.4Å; N453-W455 VanDerWaalsContact C-N 3.31Å; N453-W455 PolarHBondContact O-N 3.15Å; W455-Q457 VanDerWaalsContact C-N 3.32Å; W455-Q457 PolarHBondContact O-N 3.02Å; W455-S458 PolarHBondContact O-N 3.3Å; W455-Q459 HydrophobicContact CD2-CG 3.93Å; W455-Q459 HydrophobicContact CE3-CG 4.34Å; W455-Q459 HydrophobicContact CG-CG 4.47Å; W455-Q459 HydrophobicContact CH2-CG 4.1Å; W455-Q459 HydrophobicContact CZ2-CG 3.65Å; W455-Q459 HydrophobicContact CZ3-CG 4.42Å; W455-Q459 WeakPolarHBondContact O-CB 3.48Å; W455-Q459 WeakPolarHBondContact O-CG 3.37Å; W455-Q459 PolarHBondContact O-N 3.24Å |
| 456 | L | 95.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 96.5 Ų | 96.5 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.8 | -72.5 | 173.4 | 0 | 0 | 0 | 111.7 | I452 N453 C460 | I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 HydrophobicContact CG2-CG 4.47Å; I452-L456 WeakPolarHBondContact O-CG 3.42Å; I452-L456 PolarHBondContact O-N 3.38Å; N453-L456 PolarHBondContact O-N 3.11Å; L456-C460 VanDerWaalsContact O-CB 3.27Å; L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.67Å |
| 457 | Q | 94.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 88.4 Ų | 88.4 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 175.3 | -72 | 176.4 | 47.3 | 0 | 0 | 111.9 | N453 D454 W455 C460 R461 | N453-Q457 WeakPolarHBondContact O-CG 3.47Å; N453-Q457 PolarHBondContact O-N 2.98Å; N453-Q457 VanDerWaalsContact O-N 3.09Å; D454-Q457 PolarHBondContact O-N 3.14Å; W455-Q457 VanDerWaalsContact C-N 3.32Å; W455-Q457 PolarHBondContact O-N 3.02Å; Q457-C460 PolarHBondContact O-N 3.34Å; Q457-R461 WeakPolarHBondContact O-CB 3.14Å; Q457-R461 PolarHBondContact O-N 3.34Å |
| 458 | S | 95.5 | Very high | 94.7 | Very high | 55 Ų | 55 | 91.1 Ų | 91.1 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 177.2 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | D454 W455 C460 R461 D462 | D454-S458 WeakPolarHBondContact O-CB 3.29Å; D454-S458 PolarHBondContact O-N 3.06Å; W455-S458 PolarHBondContact O-N 3.3Å; S458-C460 VanDerWaalsContact C-N 3.3Å; S458-C460 PolarHBondContact O-N 2.93Å; S458-R461 WeakPolarHBondContact O-CB 3.22Å; S458-R461 PolarHBondContact O-N 3.1Å; S458-R461 VanDerWaalsContact O-N 3.09Å; S458-D462 VanDerWaalsContact O-CG 3.29Å; S458-D462 PolarHBondContact O-N 3.17Å |
| 459 | Q | 95.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 179.3 | -71.2 | -60.8 | 127.5 | 0 | 0 | 112.2 | W455 D462 F463 | W455-Q459 HydrophobicContact CD2-CG 3.93Å; W455-Q459 HydrophobicContact CE3-CG 4.34Å; W455-Q459 HydrophobicContact CG-CG 4.47Å; W455-Q459 HydrophobicContact CH2-CG 4.1Å; W455-Q459 HydrophobicContact CZ2-CG 3.65Å; W455-Q459 HydrophobicContact CZ3-CG 4.42Å; W455-Q459 WeakPolarHBondContact O-CB 3.48Å; W455-Q459 WeakPolarHBondContact O-CG 3.37Å; W455-Q459 PolarHBondContact O-N 3.24Å; Q459-D462 PolarHBondContact O-N 2.85Å; Q459-F463 VanDerWaalsContact O-CB 3.25Å; Q459-F463 WeakPolarHBondContact O-CB 3.36Å; Q459-F463 PolarHBondContact O-N 3.49Å |
| 460 | C | 92.7 | Very high | 94 | Very high | 63 Ų | 63 | 91 Ų | 91 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | L456 Q457 S458 K464 | L456-C460 VanDerWaalsContact O-CB 3.27Å; L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.67Å; Q457-C460 PolarHBondContact O-N 3.34Å; S458-C460 VanDerWaalsContact C-N 3.3Å; S458-C460 PolarHBondContact O-N 2.93Å; C460-K464 WeakPolarHBondContact O-CB 3.49Å; C460-K464 VanDerWaalsContact O-CG 3.3Å; C460-K464 WeakPolarHBondContact O-CG 3.42Å; C460-K464 PolarHBondContact O-N 2.87Å |
| 461 | R | 92.7 | Very high | 93.3 | Very high | 174 Ų | 174 | 92 Ų | 92 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 176.5 | -175.8 | -179 | -68.6 | 172 | 0.2 | 111.8 | Q457 S458 K464 T465 | Q457-R461 WeakPolarHBondContact O-CB 3.14Å; Q457-R461 PolarHBondContact O-N 3.34Å; S458-R461 WeakPolarHBondContact O-CB 3.22Å; S458-R461 PolarHBondContact O-N 3.1Å; S458-R461 VanDerWaalsContact O-N 3.09Å; R461-K464 PolarHBondContact O-N 2.82Å; R461-T465 WeakPolarHBondContact O-CB 3.25Å; R461-T465 PolarHBondContact O-N 2.58Å; R461-T465 PolarHBondContact O-OG1 2.84Å |
| 462 | D | 94.5 | Very high | 92.8 | Very high | 72 Ų | 72 | 93 Ų | 93 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 179.4 | -66.2 | -22.5 | 0 | 0 | 0 | 110.7 | S458 Q459 T465 I466 | S458-D462 VanDerWaalsContact O-CG 3.29Å; S458-D462 PolarHBondContact O-N 3.17Å; Q459-D462 PolarHBondContact O-N 2.85Å; D462-T465 WeakPolarHBondContact O-CB 3.47Å; D462-T465 PolarHBondContact O-N 2.77Å; D462-I466 VanDerWaalsContact O-CG1 3.31Å; D462-I466 WeakPolarHBondContact O-CG1 3.42Å; D462-I466 PolarHBondContact O-N 3.47Å |
| 463 | F | 92.3 | Very high | 92.4 | Very high | 131 Ų | 131 | 92.9 Ų | 92.9 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 174.9 | -178 | -98.8 | 0 | 0 | 0 | 112.1 | Q459 T465 I466 T467 | Q459-F463 VanDerWaalsContact O-CB 3.25Å; Q459-F463 WeakPolarHBondContact O-CB 3.36Å; Q459-F463 PolarHBondContact O-N 3.49Å; F463-T465 VanDerWaalsContact C-N 3.25Å; F463-T465 PolarHBondContact O-N 3.45Å; F463-I466 PolarHBondContact O-N 2.79Å; F463-T467 HydrophobicContact CD1-CG2 4.49Å; F463-T467 HydrophobicContact CD2-CG2 4.29Å; F463-T467 HydrophobicContact CE1-CG2 4.1Å; F463-T467 HydrophobicContact CE2-CG2 3.88Å; F463-T467 HydrophobicContact CZ-CG2 3.78Å; F463-T467 WeakPolarHBondContact O-CB 3.5Å; F463-T467 WeakPolarHBondContact O-CG2 3.26Å; F463-T467 PolarHBondContact O-N 3.01Å; F463-T467 PolarHBondContact O-OG1 2.66Å |
| 464 | K | 91.9 | Very high | 92 | Very high | 47 Ų | 47 | 93.8 Ų | 93.8 | 20% | 0.204 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 174.8 | -76.2 | 179.6 | -175.9 | -168.5 | 0 | 112 | C460 R461 T467 D468 V469 G471 | C460-K464 WeakPolarHBondContact O-CB 3.49Å; C460-K464 VanDerWaalsContact O-CG 3.3Å; C460-K464 WeakPolarHBondContact O-CG 3.42Å; C460-K464 PolarHBondContact O-N 2.87Å; R461-K464 PolarHBondContact O-N 2.82Å; K464-T467 PolarHBondContact O-N 2.87Å; K464-D468 CarbonylContact O-C 3.54Å; K464-D468 WeakPolarHBondContact O-CA 3.48Å; K464-D468 PolarHBondContact O-N 2.92Å; K464-V469 WeakPolarHBondContact CB-O 3.21Å; K464-V469 HydrophobicContact CG-CB 4.33Å; K464-V469 HydrophobicContact CG-CG1 4.33Å; K464-V469 PolarHBondContact O-N 2.85Å; K464-G471 PolarHBondContact NZ-O 2.93Å |
| 465 | T | 93.4 | Very high | 91.6 | Very high | 95 Ų | 95 | 94 Ų | 94 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | R461 D462 F463 T467 | R461-T465 WeakPolarHBondContact O-CB 3.25Å; R461-T465 PolarHBondContact O-N 2.58Å; R461-T465 PolarHBondContact O-OG1 2.84Å; D462-T465 WeakPolarHBondContact O-CB 3.47Å; D462-T465 PolarHBondContact O-N 2.77Å; F463-T465 VanDerWaalsContact C-N 3.25Å; F463-T465 PolarHBondContact O-N 3.45Å; T465-T467 VanDerWaalsContact C-N 3.33Å |
| 466 | I | 93.8 | Very high | 91.3 | Very high | 141 Ų | 141 | 92.3 Ų | 92.3 | 72% | 0.723 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.9 | -28.8 | -179.7 | -67.5 | 165 | 0 | 0 | 0 | 111.8 | D462 F463 | D462-I466 VanDerWaalsContact O-CG1 3.31Å; D462-I466 WeakPolarHBondContact O-CG1 3.42Å; D462-I466 PolarHBondContact O-N 3.47Å; F463-I466 PolarHBondContact O-N 2.79Å |
| 467 | T | 93.2 | Very high | 91.2 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.5 | -176.7 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | F463 K464 T465 V469 | F463-T467 HydrophobicContact CD1-CG2 4.49Å; F463-T467 HydrophobicContact CD2-CG2 4.29Å; F463-T467 HydrophobicContact CE1-CG2 4.1Å; F463-T467 HydrophobicContact CE2-CG2 3.88Å; F463-T467 HydrophobicContact CZ-CG2 3.78Å; F463-T467 WeakPolarHBondContact O-CB 3.5Å; F463-T467 WeakPolarHBondContact O-CG2 3.26Å; F463-T467 PolarHBondContact O-N 3.01Å; F463-T467 PolarHBondContact O-OG1 2.66Å; K464-T467 PolarHBondContact O-N 2.87Å; T465-T467 VanDerWaalsContact C-N 3.33Å; T467-V469 PolarHBondContact O-N 2.9Å; T467-V469 VanDerWaalsContact OG1-CG2 3.24Å; T467-V469 WeakPolarHBondContact OG1-CG2 3.39Å |
| 468 | D | 90.8 | Very high | 91.1 | Very high | 141 Ų | 141 | 98.6 Ų | 98.6 | 75% | 0.754 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 25.1 | -171.8 | -63.7 | -42.9 | 0 | 0 | 0 | 113.6 | K464 V470 | K464-D468 CarbonylContact O-C 3.54Å; K464-D468 WeakPolarHBondContact O-CA 3.48Å; K464-D468 PolarHBondContact O-N 2.92Å; D468-V470 PolarHBondContact O-N 2.65Å |
| 469 | V | 91.1 | Very high | 91 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | trans | -75.2 | 113.2 | 177 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | K464 T467 | K464-V469 WeakPolarHBondContact CB-O 3.21Å; K464-V469 HydrophobicContact CG-CB 4.33Å; K464-V469 HydrophobicContact CG-CG1 4.33Å; K464-V469 PolarHBondContact O-N 2.85Å; T467-V469 PolarHBondContact O-N 2.9Å; T467-V469 VanDerWaalsContact OG1-CG2 3.24Å; T467-V469 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 470 | V | 87.9 | Confident | 91 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 81% | 0.812 | 51% | 0.513 | S | S | * | . | trans | -94.2 | 153.5 | 177 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | D468 | D468-V470 PolarHBondContact O-N 2.65Š| ||
| 471 | G | 81.8 | Confident | 91 | Very high | 38 Ų | 38 | 100.1 Ų | 100.1 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 86.1 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K464 E476 | K464-G471 PolarHBondContact NZ-O 2.93Å; G471-E476 WeakPolarHBondContact CA-OE1 3.12Å |
| 472 | N | 86.7 | Confident | 91 | Very high | 53 Ų | 53 | 98 Ų | 98 | 28% | 0.283 | 50% | 0.497 | S | S | . | . | trans | -132.7 | 96.3 | 174.8 | -171.5 | 5.8 | 0 | 0 | 0 | 108.1 | E474 E475 E476 | N472-E474 PolarHBondContact O-N 3.02Å; N472-E475 HydrophobicContact CB-CB 4.16Å; N472-E475 HydrophobicContact CB-CG 4.33Å; N472-E475 PolarHBondContact ND2-OE1 2.97Å; N472-E475 PolarHBondContact O-N 2.65Å; N472-E476 PolarHBondContact N-OE1 2.83Å; N472-E476 VanDerWaalsContact N-OE1 3.11Å; N472-E476 PolarHBondContact O-N 3.32Å | ||
| 473 | P | 87.6 | Confident | 91 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 49% | 0.494 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.6 | -28.8 | -174.7 | -27.1 | 34.3 | 0 | 0 | 0 | 113.7 | R477 | P473-R477 WeakPolarHBondContact O-CD 3.43Å; P473-R477 WeakPolarHBondContact O-CG 3.39Å; P473-R477 PolarHBondContact O-N 2.9Å; P473-R477 VanDerWaalsContact O-N 3.16Å |
| 474 | E | 87.3 | Confident | 91.1 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.8 | -29.6 | 178.1 | -72.7 | -59.2 | 126.7 | 0 | 0 | 113.3 | N472 R477 | N472-E474 PolarHBondContact O-N 3.02Å; E474-R477 IonicContact OE1-CZ 3.66Å; E474-R477 IonicContact OE1-NH1 2.83Å; E474-R477 PolarHBondContact OE1-NH1 2.8Å |
| 475 | E | 87.8 | Confident | 91.2 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.5 | -42.6 | 170.4 | -77.1 | 170.9 | -149.3 | 0 | 0 | 110.7 | N472 R477 R478 F481 | N472-E475 HydrophobicContact CB-CB 4.16Å; N472-E475 HydrophobicContact CB-CG 4.33Å; N472-E475 PolarHBondContact ND2-OE1 2.97Å; N472-E475 PolarHBondContact O-N 2.65Å; E475-R477 PolarHBondContact O-N 3.03Å; E475-R477 VanDerWaalsContact O-N 3.11Å; E475-R478 WeakPolarHBondContact O-CB 3.21Å; E475-R478 PolarHBondContact O-N 2.84Å; E475-F481 HydrophobicContact CB-CD2 4.12Å; E475-F481 WeakPolarHBondContact O-CB 3.06Å |
| 476 | E | 91.4 | Very high | 91.3 | Very high | 73 Ų | 73 | 106.2 Ų | 106.2 | 34% | 0.341 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -20.5 | 179.4 | -69.1 | 166.3 | -148.9 | 0 | 0 | 113.5 | G471 N472 F481 Y482 | G471-E476 WeakPolarHBondContact CA-OE1 3.12Å; N472-E476 PolarHBondContact N-OE1 2.83Å; N472-E476 VanDerWaalsContact N-OE1 3.11Å; N472-E476 PolarHBondContact O-N 3.32Å; E476-F481 HydrophobicContact CB-CD1 4.47Å; E476-F481 HydrophobicContact CB-CE1 4.41Å; E476-F481 HydrophobicContact CG-CD1 4.22Å; E476-F481 HydrophobicContact CG-CE1 3.73Å; E476-F481 HydrophobicContact CG-CE2 4.18Å; E476-F481 HydrophobicContact CG-CZ 3.71Å; E476-Y482 WeakPolarHBondContact O-CE2 3.19Å; E476-Y482 PolarHBondContact O-OH 3.02Å |
| 477 | R | 92.7 | Very high | 91.4 | Very high | 191 Ų | 191 | 100.5 Ų | 100.5 | 72% | 0.721 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22.2 | 172.5 | -82.2 | 171 | 171.8 | -175.2 | -6.4 | 113.8 | P473 E474 E475 | P473-R477 WeakPolarHBondContact O-CD 3.43Å; P473-R477 WeakPolarHBondContact O-CG 3.39Å; P473-R477 PolarHBondContact O-N 2.9Å; P473-R477 VanDerWaalsContact O-N 3.16Å; E474-R477 IonicContact OE1-CZ 3.66Å; E474-R477 IonicContact OE1-NH1 2.83Å; E474-R477 PolarHBondContact OE1-NH1 2.8Å; E475-R477 PolarHBondContact O-N 3.03Å; E475-R477 VanDerWaalsContact O-N 3.11Å |
| 478 | R | 92.9 | Very high | 91.4 | Very high | 157 Ų | 157 | 105.5 Ų | 105.5 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -90.7 | 140.3 | -174.2 | -67.2 | -176 | -171.6 | -169.4 | 1.3 | 110.8 | E475 E480 F481 | E475-R478 WeakPolarHBondContact O-CB 3.21Å; E475-R478 PolarHBondContact O-N 2.84Å; R478-E480 WeakPolarHBondContact CB-OE2 3.42Å; R478-E480 PolarHBondContact O-N 3.4Å; R478-F481 WeakPolarHBondContact O-CB 3.4Å; R478-F481 PolarHBondContact O-N 3.14Å |
| 479 | A | 93.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 103.7 Ų | 103.7 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -62.3 | -32.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F481 Y482 Y483 | A479-F481 PolarHBondContact O-N 2.8Å; A479-F481 VanDerWaalsContact O-N 3.14Å; A479-Y482 PolarHBondContact O-N 2.54Å; A479-Y483 HydrophobicContact CB-CE2 4.24Å; A479-Y483 WeakPolarHBondContact O-CD2 3.41Å; A479-Y483 WeakPolarHBondContact O-CE2 3.42Å |
| 480 | E | 94.2 | Very high | 91.8 | Very high | 130 Ų | 130 | 101.9 Ų | 101.9 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -52.5 | -32.6 | 176.2 | -67.3 | 76.6 | -167.9 | 0 | 0 | 113.1 | R478 Y482 Y483 | R478-E480 WeakPolarHBondContact CB-OE2 3.42Å; R478-E480 PolarHBondContact O-N 3.4Å; E480-Y482 PolarHBondContact O-N 3.39Å; E480-Y483 PolarHBondContact O-N 2.85Å |
| 481 | F | 92.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 100.1 Ų | 100.1 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -64.4 | -29.5 | 178.7 | -177.4 | -99.8 | 0 | 0 | 0 | 112.9 | E475 E476 R478 A479 Q484 W486 | E475-F481 HydrophobicContact CB-CD2 4.12Å; E475-F481 WeakPolarHBondContact O-CB 3.06Å; E476-F481 HydrophobicContact CB-CD1 4.47Å; E476-F481 HydrophobicContact CB-CE1 4.41Å; E476-F481 HydrophobicContact CG-CD1 4.22Å; E476-F481 HydrophobicContact CG-CE1 3.73Å; E476-F481 HydrophobicContact CG-CE2 4.18Å; E476-F481 HydrophobicContact CG-CZ 3.71Å; R478-F481 WeakPolarHBondContact O-CB 3.4Å; R478-F481 PolarHBondContact O-N 3.14Å; A479-F481 PolarHBondContact O-N 2.8Å; A479-F481 VanDerWaalsContact O-N 3.14Å; F481-Q484 VanDerWaalsContact O-CG 3.24Å; F481-Q484 WeakPolarHBondContact O-CG 3.38Å; F481-W486 HydrophobicContact CD1-CH2 4.07Å; F481-W486 AromaticContact CD1-CZ2 3.99Å; F481-W486 HydrophobicContact CD1-CZ2 3.99Å; F481-W486 AromaticContact CE1-CH2 3.6Å; F481-W486 HydrophobicContact CE1-CH2 3.6Å; F481-W486 AromaticContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE2-CZ2 4.37Å; F481-W486 HydrophobicContact CZ-CH2 4.21Å; F481-W486 AromaticContact CZ-CZ2 3.77Å; F481-W486 HydrophobicContact CZ-CZ2 3.77Å; F481-W486 WeakPolarHBondContact O-CZ2 3.14Å |
| 482 | Y | 93.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 102 Ų | 102 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -92.7 | -0.6 | -177 | -58.6 | -83.4 | 0 | 0 | 0 | 113.8 | E476 A479 E480 Q484 W486 A487 | E476-Y482 WeakPolarHBondContact O-CE2 3.19Å; E476-Y482 PolarHBondContact O-OH 3.02Å; A479-Y482 PolarHBondContact O-N 2.54Å; E480-Y482 PolarHBondContact O-N 3.39Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.85Å; Y482-W486 HydrophobicContact CD1-CH2 4.34Å; Y482-A487 WeakPolarHBondContact O-CB 3.11Å |
| 483 | Y | 94.1 | Very high | 93.2 | Very high | 191 Ų | 191 | 107.4 Ų | 107.4 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -90 | 16.1 | 172.4 | -66.1 | -71.7 | 0 | 0 | 0 | 113.3 | A479 E480 | A479-Y483 HydrophobicContact CB-CE2 4.24Å; A479-Y483 WeakPolarHBondContact O-CD2 3.41Å; A479-Y483 WeakPolarHBondContact O-CE2 3.42Å; E480-Y483 PolarHBondContact O-N 2.85Å |
| 484 | Q | 94.2 | Very high | 93.6 | Very high | 94 Ų | 94 | 110.6 Ų | 110.6 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -81.3 | 154.8 | -179.8 | -63.8 | -60.7 | -45.8 | 0 | 0 | 112 | F481 Y482 W486 A487 | F481-Q484 VanDerWaalsContact O-CG 3.24Å; F481-Q484 WeakPolarHBondContact O-CG 3.38Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.85Å; Q484-W486 VanDerWaalsContact CB-CD1 3.5Å; Q484-W486 HydrophobicContact CB-CD2 4.3Å; Q484-W486 HydrophobicContact CB-CG 4.18Å; Q484-W486 HydrophobicContact CB-CZ2 4.29Å; Q484-W486 PolarHBondContact O-N 2.82Å; Q484-A487 VanDerWaalsContact O-CB 3.22Å; Q484-A487 WeakPolarHBondContact O-CB 3.17Å; Q484-A487 PolarHBondContact O-N 2.77Å |
| 485 | P | 95.3 | Very high | 94.1 | Very high | 121 Ų | 121 | 112.6 Ų | 112.6 | 79% | 0.786 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.8 | -177.8 | -27.2 | 35.2 | 0 | 0 | 0 | 114.6 | A487 | P485-A487 VanDerWaalsContact C-N 3.26Å; P485-A487 PolarHBondContact O-N 2.9Å |
| 486 | W | 95.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 115 Ų | 115 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.1 | -14.7 | 178.8 | 59.8 | -104.2 | 0 | 0 | 0 | 113.5 | F481 Y482 Q484 Q488 E489 A490 | F481-W486 HydrophobicContact CD1-CH2 4.07Å; F481-W486 AromaticContact CD1-CZ2 3.99Å; F481-W486 HydrophobicContact CD1-CZ2 3.99Å; F481-W486 AromaticContact CE1-CH2 3.6Å; F481-W486 HydrophobicContact CE1-CH2 3.6Å; F481-W486 AromaticContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE2-CZ2 4.37Å; F481-W486 HydrophobicContact CZ-CH2 4.21Å; F481-W486 AromaticContact CZ-CZ2 3.77Å; F481-W486 HydrophobicContact CZ-CZ2 3.77Å; F481-W486 WeakPolarHBondContact O-CZ2 3.14Å; Y482-W486 HydrophobicContact CD1-CH2 4.34Å; Q484-W486 VanDerWaalsContact CB-CD1 3.5Å; Q484-W486 HydrophobicContact CB-CD2 4.3Å; Q484-W486 HydrophobicContact CB-CG 4.18Å; Q484-W486 HydrophobicContact CB-CZ2 4.29Å; Q484-W486 PolarHBondContact O-N 2.82Å; W486-Q488 PolarHBondContact O-N 3.06Å; W486-E489 PolarHBondContact O-N 2.83Å; W486-A490 HydrophobicContact CE3-CB 3.75Å; W486-A490 HydrophobicContact CZ3-CB 4.06Å; W486-A490 VanDerWaalsContact O-CB 3.24Å; W486-A490 WeakPolarHBondContact O-CB 3.39Å; W486-A490 PolarHBondContact O-N 2.79Å |
| 487 | A | 95.1 | Very high | 94.6 | Very high | 21 Ų | 21 | 114.4 Ų | 114.4 | 17% | 0.174 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y482 Q484 P485 A490 V491 | Y482-A487 WeakPolarHBondContact O-CB 3.11Å; Q484-A487 VanDerWaalsContact O-CB 3.22Å; Q484-A487 WeakPolarHBondContact O-CB 3.17Å; Q484-A487 PolarHBondContact O-N 2.77Å; P485-A487 VanDerWaalsContact C-N 3.26Å; P485-A487 PolarHBondContact O-N 2.9Å; A487-A490 PolarHBondContact O-N 2.89Å; A487-V491 WeakPolarHBondContact O-CG2 3.4Å; A487-V491 PolarHBondContact O-N 2.86Å |
| 488 | Q | 93.8 | Very high | 94.7 | Very high | 162 Ų | 162 | 109 Ų | 109 | 76% | 0.757 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 179.2 | -175.8 | 178.3 | 2.5 | 0 | 0 | 111.4 | W486 A490 V491 C492 | W486-Q488 PolarHBondContact O-N 3.06Å; Q488-A490 VanDerWaalsContact C-N 3.35Å; Q488-A490 PolarHBondContact O-N 3.32Å; Q488-V491 PolarHBondContact O-N 3.21Å; Q488-C492 PolarHBondContact O-N 3.02Å; Q488-C492 VanDerWaalsContact O-N 3.11Å; Q488-C492 PolarHBondContact O-SG 2.84Å; Q488-C492 VanDerWaalsContact O-SG 3.33Å |
| 489 | E | 95 | Very high | 94.8 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.8 | -170.3 | -174.7 | 167 | 0 | 0 | 111.5 | W486 V491 C492 R493 | W486-E489 PolarHBondContact O-N 2.83Å; E489-V491 VanDerWaalsContact C-N 3.35Å; E489-V491 PolarHBondContact O-N 3.18Å; E489-C492 WeakPolarHBondContact O-CB 3.47Å; E489-C492 PolarHBondContact O-N 2.85Å; E489-R493 WeakPolarHBondContact O-CG 3.39Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 IonicContact OE1-CZ 3.96Å; E489-R493 IonicContact OE1-NE 2.83Å; E489-R493 PolarHBondContact OE1-NE 3.45Å; E489-R493 IonicContact OE1-NH2 3.75Å; E489-R493 PolarHBondContact OE1-NH2 3.09Å |
| 490 | A | 94.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 105.4 Ų | 105.4 | 31% | 0.314 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | W486 A487 Q488 R493 Y494 | W486-A490 HydrophobicContact CE3-CB 3.75Å; W486-A490 HydrophobicContact CZ3-CB 4.06Å; W486-A490 VanDerWaalsContact O-CB 3.24Å; W486-A490 WeakPolarHBondContact O-CB 3.39Å; W486-A490 PolarHBondContact O-N 2.79Å; A487-A490 PolarHBondContact O-N 2.89Å; Q488-A490 VanDerWaalsContact C-N 3.35Å; Q488-A490 PolarHBondContact O-N 3.32Å; A490-R493 PolarHBondContact O-N 3.08Å; A490-Y494 VanDerWaalsContact O-CB 3.27Å; A490-Y494 WeakPolarHBondContact O-CB 3.11Å; A490-Y494 PolarHBondContact O-N 2.87Å |
| 491 | V | 96 | Very high | 94.7 | Very high | 96 Ų | 96 | 103 Ų | 103 | 58% | 0.582 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | A487 Q488 E489 Y494 F495 | A487-V491 WeakPolarHBondContact O-CG2 3.4Å; A487-V491 PolarHBondContact O-N 2.86Å; Q488-V491 PolarHBondContact O-N 3.21Å; E489-V491 VanDerWaalsContact C-N 3.35Å; E489-V491 PolarHBondContact O-N 3.18Å; V491-Y494 PolarHBondContact O-N 3.05Å; V491-F495 WeakPolarHBondContact O-CB 3.18Å; V491-F495 PolarHBondContact O-N 3.1Å |
| 492 | C | 95.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.1 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | Q488 E489 F495 Y496 | Q488-C492 PolarHBondContact O-N 3.02Å; Q488-C492 VanDerWaalsContact O-N 3.11Å; Q488-C492 PolarHBondContact O-SG 2.84Å; Q488-C492 VanDerWaalsContact O-SG 3.33Å; E489-C492 WeakPolarHBondContact O-CB 3.47Å; E489-C492 PolarHBondContact O-N 2.85Å; C492-F495 PolarHBondContact O-N 3.07Å; C492-Y496 WeakPolarHBondContact O-CB 3.37Å; C492-Y496 PolarHBondContact O-N 2.81Å |
| 493 | R | 95.4 | Very high | 94.5 | Very high | 167 Ų | 167 | 107.8 Ų | 107.8 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 176.8 | -70.4 | -179.2 | -179.3 | -152.4 | 2.9 | 111.7 | E489 A490 S497 | E489-R493 WeakPolarHBondContact O-CG 3.39Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 IonicContact OE1-CZ 3.96Å; E489-R493 IonicContact OE1-NE 2.83Å; E489-R493 PolarHBondContact OE1-NE 3.45Å; E489-R493 IonicContact OE1-NH2 3.75Å; E489-R493 PolarHBondContact OE1-NH2 3.09Å; A490-R493 PolarHBondContact O-N 3.08Å; R493-S497 PolarHBondContact O-N 2.89Å; R493-S497 PolarHBondContact O-OG 2.76Å |
| 494 | Y | 95.9 | Very high | 94.2 | Very high | 143 Ų | 143 | 104.1 Ų | 104.1 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 175.1 | 175.2 | -98.6 | 0 | 0 | 0 | 111.9 | A490 V491 S497 K498 | A490-Y494 VanDerWaalsContact O-CB 3.27Å; A490-Y494 WeakPolarHBondContact O-CB 3.11Å; A490-Y494 PolarHBondContact O-N 2.87Å; V491-Y494 PolarHBondContact O-N 3.05Å; Y494-S497 PolarHBondContact O-N 2.79Å; Y494-S497 PolarHBondContact O-OG 2.7Å; Y494-K498 HydrophobicContact CD1-CG 4.29Å; Y494-K498 HydrophobicContact CD2-CG 4.33Å; Y494-K498 HydrophobicContact CE1-CG 3.84Å; Y494-K498 HydrophobicContact CE2-CD 4.42Å; Y494-K498 HydrophobicContact CE2-CG 3.88Å; Y494-K498 WeakPolarHBondContact O-CB 3.15Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.11Å; Y494-K498 VanDerWaalsContact OH-CE 3.29Å; Y494-K498 WeakPolarHBondContact OH-CE 3.37Å |
| 495 | F | 96.3 | Very high | 94 | Very high | 140 Ų | 140 | 103.2 Ų | 103.2 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 179.2 | -167.5 | -98.2 | 0 | 0 | 0 | 111.2 | V491 C492 S497 K498 V499 | V491-F495 WeakPolarHBondContact O-CB 3.18Å; V491-F495 PolarHBondContact O-N 3.1Å; C492-F495 PolarHBondContact O-N 3.07Å; F495-S497 PolarHBondContact O-N 2.79Å; F495-K498 PolarHBondContact O-N 3.22Å; F495-V499 HydrophobicContact CD1-CG2 3.93Å; F495-V499 HydrophobicContact CE1-CG2 3.63Å; F495-V499 HydrophobicContact CZ-CG2 4.02Å; F495-V499 VanDerWaalsContact O-CG2 3.31Å; F495-V499 WeakPolarHBondContact O-CG2 3.49Å; F495-V499 PolarHBondContact O-N 2.86Å |
| 496 | Y | 95.1 | Very high | 93.6 | Very high | 157 Ų | 157 | 102.5 Ų | 102.5 | 62% | 0.616 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -49.8 | 175.3 | 179.8 | -96.5 | 0 | 0 | 0 | 111.8 | C492 K498 V499 Q500 | C492-Y496 WeakPolarHBondContact O-CB 3.37Å; C492-Y496 PolarHBondContact O-N 2.81Å; Y496-K498 VanDerWaalsContact C-N 3.34Å; Y496-K498 PolarHBondContact O-N 2.91Å; Y496-V499 PolarHBondContact O-N 2.83Å; Y496-Q500 HydrophobicContact CD1-CG 4.46Å; Y496-Q500 HydrophobicContact CE1-CG 4.07Å; Y496-Q500 WeakPolarHBondContact O-CG 3.47Å; Y496-Q500 PolarHBondContact O-N 3.45Å; Y496-Q500 VanDerWaalsContact O-N 3.07Å |
| 497 | S | 94.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 179.4 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | R493 Y494 F495 Q500 Q501 | R493-S497 PolarHBondContact O-N 2.89Å; R493-S497 PolarHBondContact O-OG 2.76Å; Y494-S497 PolarHBondContact O-N 2.79Å; Y494-S497 PolarHBondContact O-OG 2.7Å; F495-S497 PolarHBondContact O-N 2.79Å; S497-Q500 PolarHBondContact O-N 2.81Å; S497-Q501 WeakPolarHBondContact O-CB 3.33Å; S497-Q501 PolarHBondContact O-N 3.22Å |
| 498 | K | 95.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 105.4 Ų | 105.4 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.6 | -80.6 | -71.4 | 171.2 | -164.5 | 0 | 113.1 | Y494 F495 Y496 Q501 R502 | Y494-K498 HydrophobicContact CD1-CG 4.29Å; Y494-K498 HydrophobicContact CD2-CG 4.33Å; Y494-K498 HydrophobicContact CE1-CG 3.84Å; Y494-K498 HydrophobicContact CE2-CD 4.42Å; Y494-K498 HydrophobicContact CE2-CG 3.88Å; Y494-K498 WeakPolarHBondContact O-CB 3.15Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.11Å; Y494-K498 VanDerWaalsContact OH-CE 3.29Å; Y494-K498 WeakPolarHBondContact OH-CE 3.37Å; F495-K498 PolarHBondContact O-N 3.22Å; Y496-K498 VanDerWaalsContact C-N 3.34Å; Y496-K498 PolarHBondContact O-N 2.91Å; K498-Q501 PolarHBondContact O-N 3.05Å; K498-R502 WeakPolarHBondContact O-CG 3.5Å; K498-R502 PolarHBondContact O-N 3.17Å |
| 499 | V | 94.5 | Very high | 91.9 | Very high | 65 Ų | 65 | 101.8 Ų | 101.8 | 39% | 0.394 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | F495 Y496 Q501 R502 R503 | F495-V499 HydrophobicContact CD1-CG2 3.93Å; F495-V499 HydrophobicContact CE1-CG2 3.63Å; F495-V499 HydrophobicContact CZ-CG2 4.02Å; F495-V499 VanDerWaalsContact O-CG2 3.31Å; F495-V499 WeakPolarHBondContact O-CG2 3.49Å; F495-V499 PolarHBondContact O-N 2.86Å; Y496-V499 PolarHBondContact O-N 2.83Å; V499-Q501 PolarHBondContact O-N 2.8Å; V499-R502 PolarHBondContact O-N 3.15Å; V499-R503 WeakPolarHBondContact O-CB 3.38Å; V499-R503 PolarHBondContact O-N 2.82Å |
| 500 | Q | 91.8 | Very high | 91.2 | Very high | 71 Ų | 71 | 102.7 Ų | 102.7 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.8 | -63 | -53 | -32.6 | 0 | 0 | 112.1 | Y496 S497 R503 Q504 | Y496-Q500 HydrophobicContact CD1-CG 4.46Å; Y496-Q500 HydrophobicContact CE1-CG 4.07Å; Y496-Q500 WeakPolarHBondContact O-CG 3.47Å; Y496-Q500 PolarHBondContact O-N 3.45Å; Y496-Q500 VanDerWaalsContact O-N 3.07Å; S497-Q500 PolarHBondContact O-N 2.81Å; Q500-R503 PolarHBondContact O-N 3.11Å; Q500-Q504 WeakPolarHBondContact O-CB 3.44Å; Q500-Q504 PolarHBondContact O-N 2.84Å |
| 501 | Q | 93.4 | Very high | 90 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 174.8 | -175.8 | -179.4 | 16.5 | 0 | 0 | 111.3 | S497 K498 V499 R503 Q504 E505 | S497-Q501 WeakPolarHBondContact O-CB 3.33Å; S497-Q501 PolarHBondContact O-N 3.22Å; K498-Q501 PolarHBondContact O-N 3.05Å; V499-Q501 PolarHBondContact O-N 2.8Å; Q501-R503 VanDerWaalsContact C-N 3.33Å; Q501-R503 PolarHBondContact O-N 3.44Å; Q501-Q504 PolarHBondContact O-N 2.79Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.38Å; Q501-E505 PolarHBondContact NE2-OE1 2.76Å; Q501-E505 WeakPolarHBondContact O-CG 3.4Å; Q501-E505 PolarHBondContact O-N 2.9Å |
| 502 | R | 92.1 | Very high | 88.5 | Confident | 157 Ų | 157 | 103.7 Ų | 103.7 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 178.3 | -71.9 | -55.4 | -164.9 | -177.6 | 4.4 | 112.7 | K498 V499 E505 L506 | K498-R502 WeakPolarHBondContact O-CG 3.5Å; K498-R502 PolarHBondContact O-N 3.17Å; V499-R502 PolarHBondContact O-N 3.15Å; R502-E505 VanDerWaalsContact CD-OE2 3.26Å; R502-E505 WeakPolarHBondContact CD-OE2 3.23Å; R502-E505 IonicContact CZ-OE2 2.71Å; R502-E505 IonicContact NE-OE2 2.83Å; R502-E505 IonicContact NH1-OE2 3.22Å; R502-E505 PolarHBondContact NH1-OE2 2.95Å; R502-E505 PolarHBondContact O-N 3.11Å; R502-L506 WeakPolarHBondContact O-CB 3.46Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.41Å |
| 503 | R | 89.7 | Confident | 86.7 | Confident | 128 Ų | 128 | 111.2 Ų | 111.2 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.7 | -178.9 | -177.6 | 169 | 179.4 | -2 | 111 | V499 Q500 Q501 L506 E507 | V499-R503 WeakPolarHBondContact O-CB 3.38Å; V499-R503 PolarHBondContact O-N 2.82Å; Q500-R503 PolarHBondContact O-N 3.11Å; Q501-R503 VanDerWaalsContact C-N 3.33Å; Q501-R503 PolarHBondContact O-N 3.44Å; R503-L506 PolarHBondContact O-N 3.42Å; R503-E507 HydrophobicContact CG-CG 4.38Å; R503-E507 IonicContact CZ-OE1 2.79Å; R503-E507 IonicContact NE-OE1 2.73Å; R503-E507 PolarHBondContact NE-OE1 3.37Å; R503-E507 IonicContact NH2-OE1 3.51Å; R503-E507 PolarHBondContact NH2-OE1 2.97Å; R503-E507 WeakPolarHBondContact O-CB 3.31Å; R503-E507 WeakPolarHBondContact O-CG 3.31Å; R503-E507 PolarHBondContact O-N 2.74Å |
| 504 | Q | 88.1 | Confident | 84.9 | Confident | 115 Ų | 115 | 108.9 Ų | 108.9 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.8 | -171 | 178.8 | 24.5 | 0 | 0 | 112 | Q500 Q501 L506 E507 Q508 | Q500-Q504 WeakPolarHBondContact O-CB 3.44Å; Q500-Q504 PolarHBondContact O-N 2.84Å; Q501-Q504 PolarHBondContact O-N 2.79Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-E507 PolarHBondContact O-N 2.89Å; Q504-Q508 WeakPolarHBondContact O-CB 3.4Å; Q504-Q508 WeakPolarHBondContact O-CG 3.23Å; Q504-Q508 PolarHBondContact O-N 3.09Å |
| 505 | E | 90.4 | Very high | 82.4 | Confident | 74 Ų | 74 | 112.1 Ų | 112.1 | 35% | 0.346 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -43.2 | 173.2 | -73.1 | 168.7 | -169.3 | 0 | 0 | 111.5 | Q501 R502 A509 | Q501-E505 WeakPolarHBondContact CG-OE1 3.38Å; Q501-E505 PolarHBondContact NE2-OE1 2.76Å; Q501-E505 WeakPolarHBondContact O-CG 3.4Å; Q501-E505 PolarHBondContact O-N 2.9Å; R502-E505 VanDerWaalsContact CD-OE2 3.26Å; R502-E505 WeakPolarHBondContact CD-OE2 3.23Å; R502-E505 IonicContact CZ-OE2 2.71Å; R502-E505 IonicContact NE-OE2 2.83Å; R502-E505 IonicContact NH1-OE2 3.22Å; R502-E505 PolarHBondContact NH1-OE2 2.95Å; R502-E505 PolarHBondContact O-N 3.11Å; E505-A509 VanDerWaalsContact O-CB 3.3Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 2.99Å |
| 506 | L | 86.5 | Confident | 81.7 | Confident | 107 Ų | 107 | 110.7 Ų | 110.7 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.3 | -44.7 | 176.4 | -79.7 | 162.2 | 0 | 0 | 0 | 112.5 | R502 R503 Q504 Q508 A509 L510 | R502-L506 WeakPolarHBondContact O-CB 3.46Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.41Å; R503-L506 PolarHBondContact O-N 3.42Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.17Å; L506-A509 PolarHBondContact O-N 3.48Å; L506-L510 VanDerWaalsContact O-CB 3.27Å; L506-L510 WeakPolarHBondContact O-CB 3.4Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.87Å |
| 507 | E | 84.3 | Confident | 81 | Confident | 50 Ų | 50 | 108.3 Ų | 108.3 | 23% | 0.234 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -62.5 | -38.6 | 176.6 | -74.1 | 175.4 | 174.5 | 0 | 0 | 111.2 | R503 Q504 G511 I512 | R503-E507 HydrophobicContact CG-CG 4.38Å; R503-E507 IonicContact CZ-OE1 2.79Å; R503-E507 IonicContact NE-OE1 2.73Å; R503-E507 PolarHBondContact NE-OE1 3.37Å; R503-E507 IonicContact NH2-OE1 3.51Å; R503-E507 PolarHBondContact NH2-OE1 2.97Å; R503-E507 WeakPolarHBondContact O-CB 3.31Å; R503-E507 WeakPolarHBondContact O-CG 3.31Å; R503-E507 PolarHBondContact O-N 2.74Å; Q504-E507 PolarHBondContact O-N 2.89Å; E507-G511 PolarHBondContact O-N 3.2Å; E507-I512 PolarHBondContact O-N 3.25Å |
| 508 | Q | 82.7 | Confident | 80.3 | Confident | 144 Ų | 144 | 110.8 Ų | 110.8 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -45.5 | 171.8 | -80 | -177.6 | -1.2 | 0 | 0 | 112.6 | Q504 L506 L510 G511 | Q504-Q508 WeakPolarHBondContact O-CB 3.4Å; Q504-Q508 WeakPolarHBondContact O-CG 3.23Å; Q504-Q508 PolarHBondContact O-N 3.09Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.17Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 3.35Å; Q508-G511 PolarHBondContact O-N 3.21Å |
| 509 | A | 81.3 | Confident | 79.3 | Confident | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -32 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E505 L506 G511 | E505-A509 VanDerWaalsContact O-CB 3.3Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 2.99Å; L506-A509 PolarHBondContact O-N 3.48Å; A509-G511 VanDerWaalsContact C-N 3.32Å |
| 510 | L | 81 | Confident | 78.4 | Confident | 124 Ų | 124 | 115.9 Ų | 115.9 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 0.8 | 177.9 | -66.2 | 167.5 | 0 | 0 | 0 | 113.1 | L506 Q508 I512 | L506-L510 VanDerWaalsContact O-CB 3.27Å; L506-L510 WeakPolarHBondContact O-CB 3.4Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.87Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 3.35Å; L510-I512 HydrophobicContact CB-CD1 4Å; L510-I512 HydrophobicContact CB-CG1 4Å; L510-I512 HydrophobicContact CD1-CD1 4.49Å; L510-I512 PolarHBondContact O-N 2.93Å |
| 511 | G | 69.6 | Low | 77.5 | Confident | 61 Ų | 61 | 118.9 Ų | 118.9 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.2 | 16 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E507 Q508 A509 R513 | E507-G511 PolarHBondContact O-N 3.2Å; Q508-G511 PolarHBondContact O-N 3.21Å; A509-G511 VanDerWaalsContact C-N 3.32Å; G511-R513 PolarHBondContact O-N 3.49Å |
| 512 | I | 64.8 | Low | 76.4 | Confident | 93 Ų | 93 | 121.7 Ų | 121.7 | 48% | 0.477 | 62% | 0.622 | S | S | . | * | trans | -82.5 | 87.2 | -177.9 | -53.9 | 174.9 | 0 | 0 | 0 | 107.8 | E507 L510 N514 | E507-I512 PolarHBondContact O-N 3.25Å; L510-I512 HydrophobicContact CB-CD1 4Å; L510-I512 HydrophobicContact CB-CG1 4Å; L510-I512 HydrophobicContact CD1-CD1 4.49Å; L510-I512 PolarHBondContact O-N 2.93Å; I512-N514 PolarHBondContact O-N 2.98Å | ||
| 513 | R | 56.7 | Low | 75.1 | Confident | 237 Ų | 237 | 119 Ų | 119 | 89% | 0.894 | 62% | 0.624 | S | S | * | * | trans | -75.4 | 104.6 | 164.6 | -79.4 | -176.1 | 178 | 176.7 | 0 | 108.2 | G511 T515 | G511-R513 PolarHBondContact O-N 3.49Å; R513-T515 PolarHBondContact O-N 2.85Å | ||
| 514 | N | 57.7 | Low | 73.9 | Confident | 117 Ų | 117 | 118.3 Ų | 118.3 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | trans | -61.3 | 122.9 | 162.7 | -79.1 | -27.8 | 0 | 0 | 0 | 108.2 | I512 | I512-N514 PolarHBondContact O-N 2.98Š| ||
| 515 | T | 44.1 | Very low | 72.6 | Confident | 211 Ų | 211 | 118.5 Ų | 118.5 | 100% | 1.294 | 65% | 0.645 | S | S | * | * | trans | -75.3 | 0 | 165.5 | 27.9 | 0 | 0 | 0 | 0 | 110.2 | R513 | R513-T515 PolarHBondContact O-N 2.85Š|
Retrieved 515 of 515 residues in 1071.5 ms
(Link to these results)