| 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 | 29.7 | Very low | 38.9 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 100% | 1.163 | 80% | 0.8 | S | S | * | * | 0 | 142.8 | 0 | -85.9 | -64.5 | -169.6 | 0 | 0 | 108.3 | |||||
| 2 | P | 61.3 | Low | 38.5 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | cis | -137.3 | -179.8 | -11.1 | 42 | -26.7 | 0 | 0 | 0 | 116.2 | ||||
| 3 | N | 38 | Very low | 38 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | trans | 71.8 | 157.8 | 164 | -60.6 | -10.3 | 0 | 0 | 0 | 116.4 | ||||
| 4 | Y | 38 | Very low | 37.5 | Very low | 210 Ų | 210 | 140.6 Ų | 140.6 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | cis | -167.2 | 159.7 | -22 | -96.8 | -25.9 | 0 | 0 | 0 | 106.5 | ||||
| 5 | A | 35.2 | Very low | 36.7 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | cis | -152.3 | 174.1 | -12.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 6 | K | 34.9 | Very low | 36.1 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | cis | 69.6 | 145.5 | 28.4 | -88.5 | -169.7 | 177.6 | -175.3 | 0 | 116.3 | ||||
| 7 | P | 55.7 | Low | 35.8 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -101.8 | -154.1 | -13.7 | 39.8 | -25.8 | 0 | 0 | 0 | 110 | ||||
| 8 | A | 34.2 | Very low | 35.6 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | cis | -149.5 | -177.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 9 | G | 28.4 | Very low | 35.4 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -161.4 | 178.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 10 | K | 31.3 | Very low | 35.1 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -130 | 170.3 | 172.9 | -58 | -174.3 | 176.9 | -174.4 | 0 | 108.6 | ||||
| 11 | P | 41.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -117.6 | 167.7 | 72.2 | -0.2 | 23.6 | 0 | 0 | 0 | 112.5 | |||||
| 12 | A | 34.6 | Very low | 34.9 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | cis | 76.1 | 147.3 | 40.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 13 | L | 31.9 | Very low | 33.3 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | cis | -161.8 | 167.8 | 34 | -121.5 | 173 | 0 | 0 | 0 | 112.2 | ||||
| 14 | F | 30.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 59.3 | 155.7 | 168.2 | -63.8 | -67 | 0 | 0 | 0 | 119.1 | ||||
| 15 | G | 25.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | 126.6 | 106.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 16 | G | 27 | Very low | 33.9 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -171.9 | 151.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | A | 29.9 | Very low | 33.7 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -151 | 163.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 18 | Q | 32.4 | Very low | 32.9 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 74.8 | 162.8 | 170.1 | -55 | -170.8 | -6.6 | 0 | 0 | 118.6 | ||||
| 19 | V | 31.6 | Very low | 33.4 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | 68.1 | 103.8 | 167.1 | -164.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 20 | L | 30.6 | Very low | 33.4 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | -162.9 | 104 | 113.3 | -104.8 | 168.9 | 0 | 0 | 0 | 110.9 | |||||
| 21 | C | 28.2 | Very low | 33.4 | Very low | 131 Ų | 131 | 128 Ų | 128 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -140 | 93.7 | 167 | -174 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 22 | A | 31.4 | Very low | 32.9 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | 177.5 | 129 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | F | 28.9 | Very low | 32.7 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | -172.9 | 112.5 | 114.8 | -104.2 | -66.3 | 0 | 0 | 0 | 110.7 | |||||
| 24 | I | 42.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -135.4 | 130.6 | 163.1 | -66.6 | 176.5 | 0 | 0 | 0 | 106.2 | ||||
| 25 | P | 44.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -119.7 | 108 | 136 | 32 | -23.9 | 0 | 0 | 0 | 108.1 | ||||
| 26 | Q | 35.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 61.9 | 107.8 | 86.1 | -74.2 | -158.6 | 9.8 | 0 | 0 | 114.1 | |||||
| 27 | L | 31.7 | Very low | 33.2 | Very low | 180 Ų | 180 | 140 Ų | 140 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -134.4 | 150.9 | 130.1 | -98.3 | 169.9 | 0 | 0 | 0 | 108.9 | ||||
| 28 | I | 37.7 | Very low | 33 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 62% | 0.621 | 77% | 0.771 | S | S | * | * | trans | -132.4 | 153.7 | -163.4 | -86.8 | 168.3 | 0 | 0 | 0 | 105.3 | ||||
| 29 | P | 45 | Very low | 33 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -144.4 | 171.1 | 41.8 | 22.9 | 4.7 | 0 | 0 | 0 | 120 | ||||
| 30 | C | 29.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 16.7 | 155.1 | 132.7 | -37.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 31 | C | 29.6 | Very low | 32.8 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | cis | -134.3 | 172 | 14.4 | -70.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 32 | F | 31.7 | Very low | 32.7 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | cis | -145.9 | 159.2 | 31.7 | -83.3 | -93.6 | 0 | 0 | 0 | 113.3 | ||||
| 33 | V | 30.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 139 Ų | 139 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -110.9 | 143.3 | 169.7 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 34 | F | 29.8 | Very low | 32.6 | Very low | 198 Ų | 198 | 138 Ų | 138 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -125.4 | 121.4 | 154.2 | -92.3 | -78.4 | 0 | 0 | 0 | 110.2 | ||||
| 35 | H | 29.4 | Very low | 32.5 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 142.8 | 170.8 | -87.2 | -100.6 | 0 | 0 | 0 | 110.4 | ||
| 36 | L | 29.8 | Very low | 31.7 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 128.4 | 159.1 | -168.6 | 73.1 | 0 | 0 | 0 | 108.1 | ||
| 37 | P | 36.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 150.9 | 175.7 | 30.8 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 38 | C | 26.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -112.3 | 125.3 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 39 | D | 31.3 | Very low | 31.3 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -111 | 134.1 | 170.5 | -87 | -50.1 | 0 | 0 | 0 | 109.8 | ||||
| 40 | T | 30.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -119.7 | 121.1 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 41 | D | 27.9 | Very low | 31.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | -156.6 | 165.6 | 124.8 | -139.5 | -30.2 | 0 | 0 | 0 | 110.9 | |||||
| 42 | G | 26.4 | Very low | 31.2 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -125 | 150 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 43 | A | 28.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 142 Ų | 142 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | -155.1 | 108.9 | 161 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 44 | Q | 31.2 | Very low | 31 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -78.6 | 161.7 | 150.1 | -90.1 | -101.7 | -13.5 | 0 | 0 | 107.9 | ||||
| 45 | P | 39.1 | Very low | 31 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | cis | -152.1 | -178.7 | 39.2 | 34.6 | -9.6 | 0 | 0 | 0 | 119.3 | ||||
| 46 | R | 29.1 | Very low | 31 | Very low | 228 Ų | 228 | 139.6 Ų | 139.6 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 110.5 | 121.2 | 148.7 | -60.1 | -173.1 | 179.9 | -177.7 | 0.2 | 118.2 | ||||
| 47 | L | 32 | Very low | 31 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 172.5 | 164.8 | -62.6 | 163.5 | 0 | 0 | 0 | 111.2 | ||||
| 48 | P | 35 | Very low | 30.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -138 | 143.5 | 114.4 | 37.4 | -27.7 | 0 | 0 | 0 | 116.5 | |||||
| 49 | A | 28.8 | Very low | 31 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 43.5 | 120.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 50 | V | 32.9 | Very low | 31 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | -91.8 | 145 | 152.4 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 51 | P | 39.6 | Very low | 31 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -104.1 | 123.5 | 156.5 | 33.7 | -24.9 | 0 | 0 | 0 | 111.3 | ||||
| 52 | Q | 30.4 | Very low | 31.3 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -83.3 | 153.3 | 158.7 | -70.1 | 174.8 | -95.9 | 0 | 0 | 109.6 | ||||
| 53 | L | 28.4 | Very low | 31.7 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -142.1 | 143.6 | 147.1 | -143 | 81 | 0 | 0 | 0 | 108.6 | ||||
| 54 | E | 28.7 | Very low | 31.7 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 163.4 | -179.4 | -68.5 | -175 | 104.6 | 0 | 0 | 112.5 | ||||
| 55 | A | 30.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 46.1 | 129.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 56 | D | 28.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | -146.2 | 157.1 | 111.1 | -136.3 | -26.2 | 0 | 0 | 0 | 112.3 | |||||
| 57 | L | 29.6 | Very low | 31 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -124.1 | 113.7 | -170.9 | -113.7 | 168.8 | 0 | 0 | 0 | 110.6 | ||||
| 58 | V | 32.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -129.4 | 111 | 171 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | N | 31.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -68.5 | 142.9 | 163.6 | -102.1 | -49.1 | 0 | 0 | 0 | 110.6 | ||||
| 60 | M | 30.1 | Very low | 30.5 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 95% | 0.946 | 81% | 0.811 | S | S | * | * | -149.3 | 153.6 | 129.1 | -90.8 | -134.1 | -91.3 | 0 | 0 | 110.8 | |||||
| 61 | N | 30.8 | Very low | 30.3 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -151.5 | -174.9 | -165.3 | -175.1 | 8.8 | 0 | 0 | 0 | 108 | ||||
| 62 | L | 34 | Very low | 29.8 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 62% | 0.618 | 82% | 0.816 | S | S | * | * | trans | 95.1 | 107.5 | 168.8 | -73.7 | 65.8 | 0 | 0 | 0 | 118.1 | ||||
| 63 | H | 34.5 | Very low | 29.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | 77.5 | 150.9 | 132.8 | -53.7 | -24.6 | 0 | 0 | 0 | 119.8 | ||||
| 64 | G | 27.9 | Very low | 29.7 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | cis | 168.8 | -174.4 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 65 | A | 29.3 | Very low | 30 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | 68.5 | 129.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 66 | S | 29.8 | Very low | 30 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | cis | 104.5 | 123 | 8.1 | -55.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 67 | G | 27.2 | Very low | 30.3 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 112.7 | 140.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 68 | G | 26.1 | Very low | 30.5 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 141.6 | 113.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 69 | L | 29.3 | Very low | 30.5 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 153.6 | 179.4 | -129.1 | 164.1 | 0 | 0 | 0 | 109.6 | ||||
| 70 | D | 29.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 93 | 147.8 | 145.2 | -125.7 | -21.4 | 0 | 0 | 0 | 121.9 | ||||
| 71 | R | 28.6 | Very low | 30.6 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 88.7 | 125 | 162.6 | -64.9 | 179 | 179.1 | -155.2 | -4.5 | 122.5 | ||||
| 72 | C | 28.2 | Very low | 30.5 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -78.4 | 167.2 | -179.4 | -40.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 73 | R | 30.1 | Very low | 30.5 | Very low | 246 Ų | 246 | 149.6 Ų | 149.6 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -154.7 | 140.9 | 135.9 | -117.3 | 172.7 | -176.7 | 174.5 | 1 | 112.6 | ||||
| 74 | D | 26.8 | Very low | 30.3 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -74.8 | 156.8 | -178.1 | -56.1 | -94.5 | 0 | 0 | 0 | 114.5 | ||||
| 75 | S | 35.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -158.7 | 65.7 | 153.3 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 76 | D | 30.3 | Very low | 30.6 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | trans | 15.5 | 152.9 | 136.7 | -159.6 | 12.3 | 0 | 0 | 0 | 122 | ||||
| 77 | R | 34 | Very low | 30.7 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | 77.1 | 135.9 | 167.1 | -66.2 | 143.2 | -154.1 | -155.8 | 7.8 | 118.2 | ||||
| 78 | R | 35.1 | Very low | 31 | Very low | 217 Ų | 217 | 157 Ų | 157 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | cis | -148.4 | 142.3 | -5.6 | -86.4 | 141.8 | -179 | -118.8 | 2.2 | 107.6 | ||||
| 79 | R | 32.7 | Very low | 31.3 | Very low | 233 Ų | 233 | 161.9 Ų | 161.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | 33.6 | 132.7 | 93.8 | -66 | -171.5 | 179.8 | -169.3 | 0.2 | 114.8 | |||||
| 80 | S | 29.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 162.7 Ų | 162.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -136 | 168.4 | 34.8 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 81 | S | 32.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 168.4 Ų | 168.4 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | cis | 64.1 | 131.2 | 44.3 | -28 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 82 | D | 29.3 | Very low | 32 | Very low | 146 Ų | 146 | 160.8 Ų | 160.8 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | cis | -165.3 | -179.2 | 6.6 | -166 | 7.5 | 0 | 0 | 0 | 110.5 | ||||
| 83 | R | 33.7 | Very low | 32.2 | Very low | 226 Ų | 226 | 164.9 Ų | 164.9 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 88.7 | 112 | 160.7 | -59.5 | 179.6 | -177.6 | 179.8 | 0.1 | 120.2 | ||||
| 84 | S | 31.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -62.2 | 154.3 | 149.7 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 85 | R | 35.8 | Very low | 32.6 | Very low | 245 Ų | 245 | 158.6 Ų | 158.6 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | -166.1 | 144 | 113.6 | -112.9 | 177 | 176.3 | 153.5 | -0.3 | 114.5 | |||||
| 86 | D | 27.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 160.4 Ų | 160.4 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 143.8 | 166.4 | 155.2 | 48.4 | 0 | 0 | 0 | 112.3 | ||||
| 87 | S | 30.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 161.1 Ų | 161.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -167.1 | 121.2 | 141 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 88 | S | 34.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 157.4 Ų | 157.4 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -89.9 | 139.6 | 170.4 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 89 | H | 31.3 | Very low | 33.2 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -165.8 | 140.8 | 138.3 | -128.9 | -71.9 | 0 | 0 | 0 | 114.1 | ||||
| 90 | E | 35.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -90.6 | 157.4 | 163.8 | -64.1 | -172.6 | 115.1 | 0 | 0 | 112.2 | ||||
| 91 | R | 34.5 | Very low | 33.5 | Very low | 255 Ų | 255 | 154.1 Ų | 154.1 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | trans | -156.5 | 141.2 | 143.3 | -155.2 | 170.9 | -169.5 | 161.5 | 5 | 110.2 | ||||
| 92 | G | 33.2 | Very low | 33.3 | Very low | 67 Ų | 67 | 156.2 Ų | 156.2 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -112.6 | 170.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 93 | E | 32.4 | Very low | 33.5 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 97% | 0.972 | 81% | 0.808 | S | S | * | * | trans | 45.3 | 133.2 | 157.1 | -54.5 | -158.7 | 124.8 | 0 | 0 | 122.2 | ||||
| 94 | G | 33.5 | Very low | 33.3 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 168.1 | 69.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 95 | Q | 32 | Very low | 33.4 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 58.8 | 119.9 | 155.2 | -68 | -172 | -2.4 | 0 | 0 | 122.7 | ||||
| 96 | L | 32 | Very low | 33.7 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 78.5 | 141.8 | 139.8 | -59.3 | 173.6 | 0 | 0 | 0 | 122.3 | ||||
| 97 | T | 36.4 | Very low | 33.8 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -90 | 178 | -178.6 | 27.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 98 | P | 48.3 | Very low | 33.8 | Very low | 111 Ų | 111 | 150 Ų | 150 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -130.4 | 177.4 | -1.1 | 39.6 | -23.5 | 0 | 0 | 0 | 115.5 | ||||
| 99 | C | 29.7 | Very low | 33.6 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | 169.9 | 125.8 | 126.8 | -95.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 100 | I | 34.7 | Very low | 33.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 68.3 | 156 | 140.9 | -61.3 | 176.8 | 0 | 0 | 0 | 120 | ||||
| 101 | R | 34.1 | Very low | 33.1 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -113.8 | 155.4 | -170.1 | -61.2 | 170.5 | 170 | 142.1 | -6.6 | 113.3 | ||||
| 102 | N | 29.6 | Very low | 32.8 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | -178.8 | 134 | 126.3 | -88.1 | -15.2 | 0 | 0 | 0 | 107.6 | |||||
| 103 | I | 33.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | cis | 72.8 | 111.2 | 39.2 | -53.4 | 175.6 | 0 | 0 | 0 | 113.4 | ||||
| 104 | T | 29.1 | Very low | 32.9 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -131.3 | 124.9 | 155.7 | 37.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 105 | S | 33.4 | Very low | 32.7 | Very low | 93 Ų | 93 | 151.3 Ų | 151.3 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -94.5 | -176.5 | 178.3 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 106 | P | 41.1 | Very low | 32.7 | Very low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | -142.8 | 135.2 | 105.2 | 35.5 | -21.8 | 0 | 0 | 0 | 115.1 | |||||
| 107 | T | 30.5 | Very low | 32.6 | Very low | 142 Ų | 142 | 150 Ų | 150 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -129.1 | 137.8 | 162.6 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 108 | R | 29.8 | Very low | 32.3 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -103.3 | 113.6 | -170.7 | -176.3 | 178.6 | 177.9 | -164.7 | -1.9 | 112.5 | ||||
| 109 | Q | 30.2 | Very low | 31.5 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 32.3 | 120.6 | 143.8 | -56.4 | 166.9 | -44.7 | 0 | 0 | 119.3 | ||||
| 110 | H | 28.5 | Very low | 31.5 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | -152.8 | 163.5 | 102 | -142.3 | -98.1 | 0 | 0 | 0 | 112.7 | |||||
| 111 | N | 29.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -86.8 | 158 | -166 | -61.6 | -1.1 | 0 | 0 | 0 | 114.4 | ||||
| 112 | S | 28.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -127 | 127.7 | 148.7 | 60.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 113 | D | 31.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -134.5 | 172 | 176.8 | -134.1 | -38 | 0 | 0 | 0 | 111.6 | ||||
| 114 | R | 35 | Very low | 31.3 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -79.7 | 159.2 | -155.1 | -69.4 | 179.6 | 163.6 | 85.2 | -6.4 | 117.8 | ||||
| 115 | E | 30 | Very low | 31.3 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | 104.4 | 147.6 | 132.4 | -122.2 | -178.2 | -123.1 | 0 | 0 | 121.4 | ||||
| 116 | R | 32.4 | Very low | 31.1 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | 66.4 | 142.5 | 171.4 | -66.1 | -176.1 | 171.5 | -133.3 | -3.2 | 119.6 | ||||
| 117 | G | 28.4 | Very low | 30.7 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 148.3 | 106 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 118 | E | 31.4 | Very low | 31.6 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -80.4 | 152.3 | 161.7 | -61.7 | 179.9 | 120.3 | 0 | 0 | 110 | ||||
| 119 | G | 30.8 | Very low | 31.7 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 157.8 | 102.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 120 | G | 29.3 | Very low | 33 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -102 | -169.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 121 | S | 32.6 | Very low | 33.8 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 81.5 | 142.7 | -176.6 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 122 | S | 31.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | cis | -155.6 | -179.3 | -9.9 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 123 | S | 32.4 | Very low | 33.9 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -99.9 | -176.5 | -166 | 58 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 124 | R | 31.3 | Very low | 33.7 | Very low | 234 Ų | 234 | 145.6 Ų | 145.6 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | 91.5 | 155.7 | 174.1 | -56.6 | 168.2 | 167.7 | -164.6 | -5.9 | 115 | ||||
| 125 | S | 29.5 | Very low | 33.5 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -171.9 | 167.4 | -31.3 | 59.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 126 | S | 29.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | -167.7 | 176.5 | 35 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 127 | S | 33 | Very low | 33.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -100.8 | -178.5 | 155.6 | -130.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 128 | P | 47.8 | Very low | 33.2 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | cis | -141.8 | -131.3 | 28.1 | 42.7 | -18.9 | 0 | 0 | 0 | 115.9 | ||||
| 129 | R | 33.3 | Very low | 34.2 | Very low | 234 Ų | 234 | 131.5 Ų | 131.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -121.5 | -147.6 | -152.6 | -154.5 | -166.5 | -176.6 | -177.4 | 3.8 | 113.5 | ||||
| 130 | P | 56.8 | Low | 34.2 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | -114.3 | -172.1 | -129.6 | 44.8 | -28.7 | 0 | 0 | 0 | 116.2 | |||||
| 131 | P | 45.9 | Very low | 34.1 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -119.3 | 179 | 158.8 | 37.5 | -25.4 | 0 | 0 | 0 | 115 | ||||
| 132 | R | 30.7 | Very low | 34 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 155.4 | -166.1 | -167.5 | -174.7 | -172.1 | -170.8 | 4.1 | 113.9 | ||||
| 133 | A | 29.4 | Very low | 34 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 75.5 | 165 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 134 | M | 27.6 | Very low | 33.8 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | cis | -152.3 | 156 | 25.7 | -53.6 | 178.1 | -171.6 | 0 | 0 | 115.1 | ||||
| 135 | M | 30.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | 44.7 | 156.6 | 139.1 | -60.6 | -72.8 | 91.1 | 0 | 0 | 123 | ||||
| 136 | S | 28.4 | Very low | 33.9 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | -178.8 | 162.3 | -20.1 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 137 | V | 29.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | 161.4 | 141 | 145.8 | 155.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 138 | G | 27.1 | Very low | 34.3 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | trans | -111.7 | -145.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | P | 51 | Low | 33.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | cis | -100.3 | -134.7 | 19.6 | 9.6 | 15 | 0 | 0 | 0 | 113.5 | ||||
| 140 | S | 31.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | cis | -157.3 | -172.8 | 15.4 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 141 | C | 28 | Very low | 32.3 | Very low | 110 Ų | 110 | 129 Ų | 129 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -118.9 | 164.2 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 142 | I | 30.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | -159 | 115.2 | 77.8 | -82.3 | 159.4 | 0 | 0 | 0 | 107.8 | |||||
| 143 | T | 30.7 | Very low | 31.6 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | 46.9 | 137.5 | 96.7 | 49.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 144 | V | 27.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | -161.7 | 136.3 | 65.3 | 157.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 145 | S | 31.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 40.8 | 128.2 | 147.3 | -57.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 146 | N | 32 | Very low | 31.9 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | 83.9 | 129.4 | 55.4 | -161.8 | 47.9 | 0 | 0 | 0 | 112.3 | |||||
| 147 | S | 34.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | -171.3 | 150.7 | 63.4 | -50.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 148 | R | 35.8 | Very low | 33 | Very low | 222 Ų | 222 | 126.2 Ų | 126.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | 42.6 | 159.9 | 128.7 | -63.2 | 175.7 | 178.6 | 178.1 | -2.3 | 122 | |||||
| 149 | S | 30.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | 179.3 | -170.2 | -24.5 | 67.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 150 | S | 31.2 | Very low | 32.1 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | cis | -175.6 | 144.7 | -2.2 | 28.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 151 | L | 35.1 | Very low | 32 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 159.4 | 161.5 | -56.4 | 157.7 | 0 | 0 | 0 | 116.3 | ||||
| 152 | F | 31.3 | Very low | 31.9 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | -135.2 | 179.8 | 4.7 | -71.2 | -89.1 | 0 | 0 | 0 | 108 | ||||
| 153 | S | 30.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -167.5 | -169.4 | -7.4 | -115.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 154 | K | 28.8 | Very low | 31.9 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | cis | -158 | 176.9 | 3.6 | -139.1 | -173.9 | -179.3 | -178.4 | 0 | 110.3 | ||||
| 155 | E | 32 | Very low | 32.1 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -134.5 | -178.8 | 167 | -48.7 | 168.4 | 69.3 | 0 | 0 | 108.6 | ||||
| 156 | A | 32.6 | Very low | 32.1 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -159.1 | -153.9 | 2.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 157 | P | 53.4 | Low | 32.3 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -128 | 155.6 | -60.1 | 35.2 | -19.5 | 0 | 0 | 0 | 114 | |||||
| 158 | C | 27.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -137.3 | 141.8 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 159 | K | 31.1 | Very low | 33.1 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | -62.6 | 145.4 | 179.6 | -59.3 | 160.8 | -178.3 | 173.9 | 0 | 112.7 | ||||
| 160 | G | 27.3 | Very low | 33.6 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 172 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 161 | L | 29.5 | Very low | 34.5 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -164.8 | 129.2 | 170.3 | -116.6 | 164.7 | 0 | 0 | 0 | 111 | ||||
| 162 | G | 26.6 | Very low | 35.8 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | 88.9 | 127.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 163 | H | 29.6 | Very low | 38.1 | Very low | 194 Ų | 194 | 128 Ų | 128 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | 56.1 | 84.3 | 136.6 | -54.1 | 102.8 | 0 | 0 | 0 | 120.7 | ||||
| 164 | G | 30.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | 60.2 | 97.6 | 106.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 165 | H | 32.2 | Very low | 42.8 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -132.3 | 133 | 141.7 | -157.9 | 71.7 | 0 | 0 | 0 | 109.2 | H167 | H165-H167 PolarHBondContact O-N 3.14Š| ||
| 166 | V | 31.7 | Very low | 44.8 | Very low | 135 Ų | 135 | 114.1 Ų | 114.1 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -79.9 | 103.4 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | S168 | V166-S168 PolarHBondContact O-N 2.7Š| ||
| 167 | H | 37 | Very low | 46.5 | Very low | 164 Ų | 164 | 115.4 Ų | 115.4 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.4 | 171 | -90 | -96 | 0 | 0 | 0 | 109.5 | H165 | H165-H167 PolarHBondContact O-N 3.14Š|
| 168 | S | 35.8 | Very low | 46.6 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.4 | 170.7 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | V166 | V166-S168 PolarHBondContact O-N 2.7Š|
| 169 | P | 50.4 | Low | 47.8 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -65 | 168.7 | 157.5 | 32.2 | -34.7 | 0 | 0 | 0 | 110.1 | ||
| 170 | C | 41.7 | Very low | 48.7 | Very low | 117 Ų | 117 | 112.2 Ų | 112.2 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | 67.8 | 68.1 | 170.4 | -54.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 171 | D | 50.8 | Low | 49.3 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | trans | -129.2 | 80 | 147.1 | -142.3 | -22.5 | 0 | 0 | 0 | 106.6 | I173 R200 | D171-I173 PolarHBondContact O-N 3.41Å; D171-R200 IonicContact OD1-CZ 3.44Å; D171-R200 IonicContact OD1-NE 3.28Å; D171-R200 PolarHBondContact OD1-NE 3.26Å; D171-R200 IonicContact OD1-NH2 3.61Å; D171-R200 PolarHBondContact OD1-NH2 3.09Å; D171-R200 IonicContact OD2-CZ 2.74Å; D171-R200 IonicContact OD2-NH2 3.7Å; D171-R200 PolarHBondContact OD2-NH2 2.78Å | ||
| 172 | L | 62.5 | Low | 49.8 | Very low | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | trans | -81.2 | 113.3 | -175.1 | -81.2 | 169.8 | 0 | 0 | 0 | 109.9 | Y174 T199 R200 | L172-Y174 HydrophobicContact CB-CE2 4.27Å; L172-T199 HydrophobicContact CB-CG2 4.18Å; L172-R200 PolarHBondContact O-N 2.9Å | ||
| 173 | I | 78.5 | Confident | 50.7 | Low | 101 Ų | 101 | 114.4 Ų | 114.4 | 52% | 0.518 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.3 | 179.1 | -52.6 | 178.8 | 0 | 0 | 0 | 109.3 | D171 V175 R200 V202 | D171-I173 PolarHBondContact O-N 3.41Å; I173-V175 HydrophobicContact CG2-CG2 4.49Å; I173-R200 WeakPolarHBondContact CA-O 3.34Å; I173-R200 HydrophobicContact CG1-CB 4.32Å; I173-V202 HydrophobicContact CG2-CG2 3.84Å |
| 174 | Y | 79.3 | Confident | 51.2 | Low | 76 Ų | 76 | 116.2 Ų | 116.2 | 30% | 0.298 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.2 | 172.5 | -64.9 | -91.6 | 0 | 0 | 0 | 110.3 | L172 T199 R200 F201 V202 | L172-Y174 HydrophobicContact CB-CE2 4.27Å; Y174-T199 HydrophobicContact CD2-CG2 3.74Å; Y174-T199 HydrophobicContact CE2-CG2 3.62Å; Y174-R200 PolarHBondContact N-O 3.18Å; Y174-F201 HydrophobicContact CD2-CD1 4.43Å; Y174-F201 HydrophobicContact CD2-CE1 4.03Å; Y174-F201 HydrophobicContact CD2-CZ 4.38Å; Y174-F201 HydrophobicContact CG-CE1 4.42Å; Y174-V202 PolarHBondContact O-N 2.79Å |
| 175 | V | 79.4 | Confident | 51.5 | Low | 82 Ų | 82 | 118.6 Ų | 118.6 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.5 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | I173 E177 V202 | I173-V175 HydrophobicContact CG2-CG2 4.49Å; V175-E177 HydrophobicContact CG1-CG 4.09Å; V175-V202 WeakPolarHBondContact CA-O 3.49Å; V175-V202 HydrophobicContact CG2-CB 4.35Å |
| 176 | Y | 74.2 | Confident | 51.9 | Low | 23 Ų | 23 | 118.8 Ų | 118.8 | 9% | 0.09 | 66% | 0.655 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 93.8 | -176.4 | -72 | -103.5 | 0 | 0 | 0 | 111.1 | F201 V202 V203 R249 L252 | Y176-F201 AromaticContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CE1 4.45Å; Y176-V202 PolarHBondContact N-O 3.22Å; Y176-V203 HydrophobicContact CD2-CG1 4.23Å; Y176-V203 HydrophobicContact CG-CG1 4.4Å; Y176-R249 WeakPolarHBondContact OH-CG 3.4Å; Y176-L252 HydrophobicContact CD1-CB 3.97Å; Y176-L252 HydrophobicContact CD1-CD1 4.18Å; Y176-L252 HydrophobicContact CD2-CD1 3.82Å; Y176-L252 HydrophobicContact CE1-CB 3.7Å; Y176-L252 HydrophobicContact CE1-CD1 3.9Å; Y176-L252 HydrophobicContact CE1-CG 4.48Å; Y176-L252 HydrophobicContact CE2-CD1 3.52Å; Y176-L252 HydrophobicContact CG-CD1 4.16Å |
| 177 | E | 68.3 | Low | 52.4 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | trans | -86.9 | 155.2 | 174.7 | -52 | -159.7 | 143.2 | 0 | 0 | 112 | V175 R191 K256 | V175-E177 HydrophobicContact CG1-CG 4.09Å; E177-R191 IonicContact OE1-CZ 3.61Å; E177-R191 IonicContact OE1-NH1 3.63Å; E177-R191 PolarHBondContact OE1-NH1 2.7Å; E177-R191 IonicContact OE1-NH2 3.41Å; E177-R191 PolarHBondContact OE1-NH2 2.76Å; E177-K256 PolarHBondContact O-NZ 3.21Å | ||
| 178 | N | 54.9 | Low | 52.7 | Low | 81 Ų | 81 | 121.4 Ų | 121.4 | 43% | 0.433 | 66% | 0.657 | S | S | . | * | trans | -98.3 | 106.6 | 175.8 | -175.3 | 3.2 | 0 | 0 | 0 | 109.5 | K180 | N178-K180 PolarHBondContact O-N 3.21Å; N178-K180 VanDerWaalsContact O-N 3.09Å | ||
| 179 | T | 52.1 | Low | 53.6 | Low | 140 Ų | 140 | 118.8 Ų | 118.8 | 86% | 0.859 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 15.7 | -167.8 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||
| 180 | K | 50.1 | Low | 54.7 | Low | 182 Ų | 182 | 119.8 Ų | 119.8 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -7.8 | -170.7 | -78.8 | -172.4 | 174.5 | 177.9 | 0 | 116.9 | N178 | N178-K180 PolarHBondContact O-N 3.21Å; N178-K180 VanDerWaalsContact O-N 3.09Å |
| 181 | E | 41.1 | Very low | 56.9 | Low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 62% | 0.621 | S | S | * | * | trans | -106.6 | 109.1 | 177.3 | -64 | -149.3 | 131.2 | 0 | 0 | 112.5 | ||||
| 182 | G | 40.1 | Very low | 58.8 | Low | 65 Ų | 65 | 115.6 Ų | 115.6 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | trans | -78.4 | 123.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R184 | G182-R184 PolarHBondContact O-N 3.41Å; G182-R184 VanDerWaalsContact O-N 3.14Å | ||
| 183 | A | 44 | Very low | 60.2 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 91% | 0.909 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 47.8 | 46.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 184 | R | 41.3 | Very low | 61 | Low | 232 Ų | 232 | 107.4 Ų | 107.4 | 88% | 0.875 | 56% | 0.558 | S | S | * | * | trans | -119 | 108.3 | 165.8 | -75.8 | -174 | 171.7 | 170.5 | -1.2 | 111.4 | G182 | G182-R184 PolarHBondContact O-N 3.41Å; G182-R184 VanDerWaalsContact O-N 3.14Å | ||
| 185 | T | 36.2 | Very low | 61.7 | Low | 130 Ų | 130 | 105 Ų | 105 | 80% | 0.798 | 55% | 0.55 | S | S | * | * | trans | 29.5 | 112.7 | 160.1 | 45.9 | 0 | 0 | 0 | 0 | 117.7 | R187 | T185-R187 PolarHBondContact O-N 2.66Š| ||
| 186 | L | 40.9 | Very low | 62.4 | Low | 170 Ų | 170 | 101.3 Ų | 101.3 | 89% | 0.89 | 53% | 0.527 | S | S | * | . | trans | -54 | 71.1 | 171.3 | -168.3 | 94.9 | 0 | 0 | 0 | 114.2 | ||||
| 187 | R | 42 | Very low | 63.4 | Low | 229 Ų | 229 | 104.2 Ų | 104.2 | 86% | 0.864 | 55% | 0.545 | S | S | * | . | trans | -74.7 | 122 | 143.9 | -74.5 | -173.7 | 174 | 179.6 | -2 | 105.9 | T185 A189 | T185-R187 PolarHBondContact O-N 2.66Å; R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 3.22Å | ||
| 188 | T | 42.6 | Very low | 64.6 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 77% | 0.767 | 56% | 0.559 | S | S | * | * | trans | -63 | 97.1 | 163.4 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | E190 | T188-E190 PolarHBondContact O-N 3.39Š| ||
| 189 | A | 54.3 | Low | 66.5 | Low | 49 Ų | 49 | 103.1 Ų | 103.1 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | trans | -48.8 | 134.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | R187 R191 | R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 3.22Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 WeakPolarHBondContact O-CG 3.45Å; A189-R191 PolarHBondContact O-N 3.37Å | ||
| 190 | E | 74.8 | Confident | 68.6 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | trans | -70.6 | 82.8 | -169.1 | -167 | -165.3 | 153.3 | 0 | 0 | 109.8 | T188 V192 P205 R224 | T188-E190 PolarHBondContact O-N 3.39Å; E190-V192 PolarHBondContact O-N 3.16Å; E190-P205 WeakPolarHBondContact O-CD 3.39Å; E190-P205 WeakPolarHBondContact O-CG 3.42Å; E190-R224 VanDerWaalsContact CD-NH1 3.29Å; E190-R224 IonicContact OE1-CZ 2.9Å; E190-R224 IonicContact OE1-NH1 3.67Å; E190-R224 PolarHBondContact OE1-NH1 3.47Å; E190-R224 IonicContact OE1-NH2 2.76Å; E190-R224 PolarHBondContact OE1-NH2 3.28Å; E190-R224 IonicContact OE2-CZ 2.74Å; E190-R224 IonicContact OE2-NH1 2.78Å; E190-R224 PolarHBondContact OE2-NH1 3.13Å; E190-R224 IonicContact OE2-NH2 2.78Å | ||
| 191 | R | 87.3 | Confident | 70.7 | Confident | 117 Ų | 117 | 90.4 Ų | 90.4 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | trans | -66.2 | 128.4 | -175.2 | -63.8 | -169.1 | -175 | -173.5 | -0.4 | 109.5 | E177 A189 V202 V203 | E177-R191 IonicContact OE1-CZ 3.61Å; E177-R191 IonicContact OE1-NH1 3.63Å; E177-R191 PolarHBondContact OE1-NH1 2.7Å; E177-R191 IonicContact OE1-NH2 3.41Å; E177-R191 PolarHBondContact OE1-NH2 2.76Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 WeakPolarHBondContact O-CG 3.45Å; A189-R191 PolarHBondContact O-N 3.37Å; R191-V202 HydrophobicContact CB-CG1 3.87Å; R191-V202 HydrophobicContact CG-CG1 4.48Å; R191-V203 CarbonylContact C-O 3.56Å; R191-V203 VanDerWaalsContact CA-O 3.29Å; R191-V203 WeakPolarHBondContact CA-O 3.28Å | ||
| 192 | V | 90 | Very high | 73.3 | Confident | 6 Ų | 6 | 83.1 Ų | 83.1 | 4% | 0.036 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135.8 | 177.2 | 169.7 | 0 | 0 | 0 | 0 | 108.4 | E190 L194 V203 P205 F220 F237 | E190-V192 PolarHBondContact O-N 3.16Å; V192-L194 HydrophobicContact CG1-CD2 3.67Å; V192-L194 HydrophobicContact CG1-CG 4.4Å; V192-V203 HydrophobicContact CB-CG2 4.49Å; V192-V203 PolarHBondContact N-O 3.1Å; V192-V203 WeakPolarHBondContact O-CG2 3.33Å; V192-V203 PolarHBondContact O-N 3.21Å; V192-P205 HydrophobicContact CB-CG 4.14Å; V192-P205 HydrophobicContact CG2-CG 3.59Å; V192-F220 HydrophobicContact CG1-CE1 3.92Å; V192-F220 HydrophobicContact CG1-CZ 4.39Å; V192-F237 HydrophobicContact CG1-CD2 3.51Å; V192-F237 HydrophobicContact CG1-CE2 3.84Å; V192-F237 HydrophobicContact CG1-CG 4.33Å; V192-F237 HydrophobicContact CG2-CE2 4.5Å |
| 193 | T | 93.3 | Very high | 75.8 | Confident | 29 Ų | 29 | 80 Ų | 80 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.4 | 169.2 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | R200 V202 E236 F237 | T193-R200 HydrophobicContact CG2-CB 4.01Å; T193-V202 HydrophobicContact CG2-CG2 4.48Å; T193-E236 HydrophobicContact CG2-CB 4.27Å; T193-E236 HydrophobicContact CG2-CG 4.03Å; T193-F237 PolarHBondContact O-N 3.42Å |
| 194 | L | 94.3 | Very high | 78 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.9 | 168.7 | -52.5 | -179.2 | 0 | 0 | 0 | 109.1 | V192 R200 F201 V203 F208 F220 F237 V239 F248 | V192-L194 HydrophobicContact CG1-CD2 3.67Å; V192-L194 HydrophobicContact CG1-CG 4.4Å; L194-R200 WeakPolarHBondContact O-CA 3.27Å; L194-F201 HydrophobicContact CB-CB 4.31Å; L194-F201 PolarHBondContact N-O 3.03Å; L194-F201 PolarHBondContact O-N 2.71Å; L194-V203 HydrophobicContact CD1-CG2 3.97Å; L194-V203 HydrophobicContact CG-CG2 4.03Å; L194-F208 HydrophobicContact CD1-CE2 4.36Å; L194-F208 HydrophobicContact CD1-CZ 3.84Å; L194-F220 HydrophobicContact CD2-CE1 4.2Å; L194-F220 HydrophobicContact CD2-CE2 3.64Å; L194-F220 HydrophobicContact CD2-CZ 3.41Å; L194-F220 VanDerWaalsContact CD2-CZ 3.41Å; L194-F237 CarbonylContact C-O 3.53Å; L194-F237 WeakPolarHBondContact CA-O 3.4Å; L194-F237 HydrophobicContact CD2-CB 4.01Å; L194-V239 HydrophobicContact CB-CG2 4.03Å; L194-V239 HydrophobicContact CD1-CG2 4.43Å; L194-V239 HydrophobicContact CD2-CG1 4.35Å; L194-V239 HydrophobicContact CD2-CG2 4.38Å; L194-F248 HydrophobicContact CD1-CE1 4.23Å; L194-F248 HydrophobicContact CD1-CZ 3.88Å |
| 195 | I | 94.3 | Very high | 80.2 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.7 | 172.8 | -55 | 179.2 | 0 | 0 | 0 | 107.8 | T199 E236 F237 E238 V239 | I195-T199 WeakPolarHBondContact CA-O 3.29Å; I195-E236 HydrophobicContact CD1-CB 3.73Å; I195-E236 HydrophobicContact CD1-CG 4.47Å; I195-E236 HydrophobicContact CG1-CB 4.09Å; I195-F237 PolarHBondContact N-O 2.83Å; I195-E238 HydrophobicContact CB-CG 3.88Å; I195-E238 HydrophobicContact CD1-CG 4.1Å; I195-E238 HydrophobicContact CG1-CG 4.45Å; I195-E238 HydrophobicContact CG2-CG 4.25Å; I195-V239 PolarHBondContact O-N 2.92Å |
| 196 | V | 95.2 | Very high | 82.7 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 129 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | N198 T199 F201 V239 A240 I243 F248 | V196-N198 VanDerWaalsContact C-N 3.29Å; V196-N198 PolarHBondContact O-N 2.75Å; V196-T199 PolarHBondContact N-O 3.01Å; V196-T199 WeakPolarHBondContact O-CA 3.46Å; V196-T199 VanDerWaalsContact O-CB 3.31Å; V196-T199 WeakPolarHBondContact O-CB 3.2Å; V196-T199 PolarHBondContact O-N 2.56Å; V196-F201 HydrophobicContact CB-CD2 4.32Å; V196-F201 HydrophobicContact CB-CE2 4Å; V196-F201 HydrophobicContact CG2-CD2 4.4Å; V196-V239 HydrophobicContact CG2-CG2 3.61Å; V196-A240 HydrophobicContact CG1-CB 3.9Å; V196-A240 HydrophobicContact CG2-CB 3.99Å; V196-I243 VanDerWaalsContact CG1-O 3.28Å; V196-I243 WeakPolarHBondContact CG1-O 3.22Å; V196-F248 HydrophobicContact CB-CB 4.42Å; V196-F248 HydrophobicContact CB-CD1 4.17Å; V196-F248 HydrophobicContact CB-CD2 4.46Å; V196-F248 HydrophobicContact CB-CG 4.1Å; V196-F248 HydrophobicContact CG1-CB 3.94Å; V196-F248 HydrophobicContact CG1-CD2 4.11Å; V196-F248 HydrophobicContact CG1-CG 3.93Å; V196-F248 HydrophobicContact CG2-CD1 3.73Å; V196-F248 HydrophobicContact CG2-CD2 3.89Å; V196-F248 HydrophobicContact CG2-CE1 3.7Å; V196-F248 HydrophobicContact CG2-CE2 3.87Å; V196-F248 HydrophobicContact CG2-CG 3.83Å; V196-F248 HydrophobicContact CG2-CZ 3.78Å |
| 197 | D | 94.7 | Very high | 85.1 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 51.9 | 179.8 | 175.3 | 40.3 | 0 | 0 | 0 | 111.5 | T199 S245 | D197-T199 PolarHBondContact O-N 3.02Å; D197-T199 PolarHBondContact O-OG1 2.76Å; D197-S245 WeakPolarHBondContact OD2-CB 3.36Å; D197-S245 PolarHBondContact OD2-N 3.44Å; D197-S245 PolarHBondContact OD2-OG 3.25Å |
| 198 | N | 92.9 | Very high | 87.4 | Confident | 151 Ų | 151 | 43.7 Ų | 43.7 | 81% | 0.807 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 10.5 | -172.9 | -67.7 | 102.9 | 0 | 0 | 0 | 116.5 | V196 | V196-N198 VanDerWaalsContact C-N 3.29Å; V196-N198 PolarHBondContact O-N 2.75Å |
| 199 | T | 95.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.7 | -174.3 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | L172 Y174 I195 V196 D197 F201 S245 | L172-T199 HydrophobicContact CB-CG2 4.18Å; Y174-T199 HydrophobicContact CD2-CG2 3.74Å; Y174-T199 HydrophobicContact CE2-CG2 3.62Å; I195-T199 WeakPolarHBondContact CA-O 3.29Å; V196-T199 PolarHBondContact N-O 3.01Å; V196-T199 WeakPolarHBondContact O-CA 3.46Å; V196-T199 VanDerWaalsContact O-CB 3.31Å; V196-T199 WeakPolarHBondContact O-CB 3.2Å; V196-T199 PolarHBondContact O-N 2.56Å; D197-T199 PolarHBondContact O-N 3.02Å; D197-T199 PolarHBondContact O-OG1 2.76Å; T199-F201 HydrophobicContact CG2-CD2 4.38Å; T199-F201 HydrophobicContact CG2-CE2 3.61Å; T199-F201 HydrophobicContact CG2-CZ 3.72Å; T199-F201 WeakPolarHBondContact O-CD2 3.46Å; T199-F201 WeakPolarHBondContact O-CE2 3.37Å; T199-S245 WeakPolarHBondContact OG1-CB 3.47Å |
| 200 | R | 95.6 | Very high | 91.2 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.5 | -173.4 | -47.8 | -160.9 | -144.1 | -169 | 8.3 | 111.8 | D171 L172 I173 Y174 T193 L194 E236 | D171-R200 IonicContact OD1-CZ 3.44Å; D171-R200 IonicContact OD1-NE 3.28Å; D171-R200 PolarHBondContact OD1-NE 3.26Å; D171-R200 IonicContact OD1-NH2 3.61Å; D171-R200 PolarHBondContact OD1-NH2 3.09Å; D171-R200 IonicContact OD2-CZ 2.74Å; D171-R200 IonicContact OD2-NH2 3.7Å; D171-R200 PolarHBondContact OD2-NH2 2.78Å; L172-R200 PolarHBondContact O-N 2.9Å; I173-R200 WeakPolarHBondContact CA-O 3.34Å; I173-R200 HydrophobicContact CG1-CB 4.32Å; Y174-R200 PolarHBondContact N-O 3.18Å; T193-R200 HydrophobicContact CG2-CB 4.01Å; L194-R200 WeakPolarHBondContact O-CA 3.27Å; R200-E236 WeakPolarHBondContact CD-OE1 3.44Å; R200-E236 IonicContact CZ-OE1 3.18Å; R200-E236 IonicContact NE-OE1 3.61Å; R200-E236 IonicContact NH1-OE1 3.64Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 2.68Å; R200-E236 PolarHBondContact NH1-OE2 3.03Å |
| 201 | F | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 102.4 | -177.9 | -62.4 | -96.1 | 0 | 0 | 0 | 108.9 | Y174 Y176 L194 V196 T199 V203 S245 F248 R249 L252 | Y174-F201 HydrophobicContact CD2-CD1 4.43Å; Y174-F201 HydrophobicContact CD2-CE1 4.03Å; Y174-F201 HydrophobicContact CD2-CZ 4.38Å; Y174-F201 HydrophobicContact CG-CE1 4.42Å; Y176-F201 AromaticContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CE1 4.45Å; L194-F201 HydrophobicContact CB-CB 4.31Å; L194-F201 PolarHBondContact N-O 3.03Å; L194-F201 PolarHBondContact O-N 2.71Å; V196-F201 HydrophobicContact CB-CD2 4.32Å; V196-F201 HydrophobicContact CB-CE2 4Å; V196-F201 HydrophobicContact CG2-CD2 4.4Å; T199-F201 HydrophobicContact CG2-CD2 4.38Å; T199-F201 HydrophobicContact CG2-CE2 3.61Å; T199-F201 HydrophobicContact CG2-CZ 3.72Å; T199-F201 WeakPolarHBondContact O-CD2 3.46Å; T199-F201 WeakPolarHBondContact O-CE2 3.37Å; F201-V203 HydrophobicContact CB-CG1 4.41Å; F201-V203 PolarHBondContact O-N 2.98Å; F201-S245 WeakPolarHBondContact CZ-O 3.48Å; F201-F248 HydrophobicContact CB-CE1 4.27Å; F201-F248 AromaticContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CE1 4.32Å; F201-F248 AromaticContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CE1 4.09Å; F201-F248 AromaticContact CE1-CD1 3.99Å; F201-F248 HydrophobicContact CE1-CD1 3.99Å; F201-F248 AromaticContact CE2-CD1 3.86Å; F201-F248 HydrophobicContact CE2-CD1 3.86Å; F201-F248 AromaticContact CG-CD1 3.89Å; F201-F248 HydrophobicContact CG-CD1 3.89Å; F201-F248 AromaticContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CZ-CB 4.43Å; F201-F248 AromaticContact CZ-CD1 3.95Å; F201-F248 HydrophobicContact CZ-CD1 3.95Å; F201-R249 HydrophobicContact CE1-CB 4.28Å; F201-L252 HydrophobicContact CB-CD1 4.14Å; F201-L252 HydrophobicContact CD1-CD1 3.51Å; F201-L252 HydrophobicContact CE1-CD1 4.29Å; F201-L252 HydrophobicContact CG-CD1 4.12Å |
| 202 | V | 94.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 37 Ų | 37 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.6 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | I173 Y174 V175 Y176 R191 T193 | I173-V202 HydrophobicContact CG2-CG2 3.84Å; Y174-V202 PolarHBondContact O-N 2.79Å; V175-V202 WeakPolarHBondContact CA-O 3.49Å; V175-V202 HydrophobicContact CG2-CB 4.35Å; Y176-V202 PolarHBondContact N-O 3.22Å; R191-V202 HydrophobicContact CB-CG1 3.87Å; R191-V202 HydrophobicContact CG-CG1 4.48Å; T193-V202 HydrophobicContact CG2-CG2 4.48Å |
| 203 | V | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.9 | -172.2 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | Y176 R191 V192 L194 F201 P205 I207 F208 L252 | Y176-V203 HydrophobicContact CD2-CG1 4.23Å; Y176-V203 HydrophobicContact CG-CG1 4.4Å; R191-V203 CarbonylContact C-O 3.56Å; R191-V203 VanDerWaalsContact CA-O 3.29Å; R191-V203 WeakPolarHBondContact CA-O 3.28Å; V192-V203 HydrophobicContact CB-CG2 4.49Å; V192-V203 PolarHBondContact N-O 3.1Å; V192-V203 WeakPolarHBondContact O-CG2 3.33Å; V192-V203 PolarHBondContact O-N 3.21Å; L194-V203 HydrophobicContact CD1-CG2 3.97Å; L194-V203 HydrophobicContact CG-CG2 4.03Å; F201-V203 HydrophobicContact CB-CG1 4.41Å; F201-V203 PolarHBondContact O-N 2.98Å; V203-P205 WeakPolarHBondContact O-CD 3.48Å; V203-I207 HydrophobicContact CB-CD1 4.24Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-F208 HydrophobicContact CB-CE2 4.47Å; V203-F208 HydrophobicContact CB-CZ 4.48Å; V203-F208 HydrophobicContact CG2-CE2 3.74Å; V203-F208 HydrophobicContact CG2-CZ 3.97Å; V203-L252 HydrophobicContact CG1-CD1 4.08Å; V203-L252 HydrophobicContact CG1-CD2 4.1Å |
| 204 | D | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | trans | -80.6 | 118.1 | 162.1 | 178.3 | -3.7 | 0 | 0 | 0 | 108.8 | A206 I207 | D204-A206 PolarHBondContact O-N 3.16Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.31Å; D204-A206 PolarHBondContact OD1-N 3.12Å; D204-I207 WeakPolarHBondContact O-CG1 3.4Å; D204-I207 PolarHBondContact O-N 2.65Å; D204-I207 VanDerWaalsContact O-N 3.16Å | ||
| 205 | P | 88.5 | Confident | 92.1 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -54 | -25 | 179 | -28.7 | 37.4 | 0 | 0 | 0 | 114.4 | E190 V192 V203 I207 F208 F220 | E190-P205 WeakPolarHBondContact O-CD 3.39Å; E190-P205 WeakPolarHBondContact O-CG 3.42Å; V192-P205 HydrophobicContact CB-CG 4.14Å; V192-P205 HydrophobicContact CG2-CG 3.59Å; V203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-I207 PolarHBondContact O-N 2.89Å; P205-I207 VanDerWaalsContact O-N 3.1Å; P205-F208 WeakPolarHBondContact O-CD2 3.44Å; P205-F208 PolarHBondContact O-N 2.82Å; P205-F220 HydrophobicContact CB-CB 4.44Å |
| 206 | A | 88.3 | Confident | 92.1 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -56.4 | -27.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D204 F208 T209 | D204-A206 PolarHBondContact O-N 3.16Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.31Å; D204-A206 PolarHBondContact OD1-N 3.12Å; A206-F208 PolarHBondContact O-N 3.18Å; A206-T209 WeakPolarHBondContact O-CB 3.21Å; A206-T209 PolarHBondContact O-N 2.89Å; A206-T209 PolarHBondContact O-OG1 3.18Å |
| 207 | I | 90.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -62.4 | -31 | 178.4 | 74.2 | -175.5 | 0 | 0 | 0 | 112.5 | V203 D204 P205 T209 A210 L252 | V203-I207 HydrophobicContact CB-CD1 4.24Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; D204-I207 WeakPolarHBondContact O-CG1 3.4Å; D204-I207 PolarHBondContact O-N 2.65Å; D204-I207 VanDerWaalsContact O-N 3.16Å; P205-I207 PolarHBondContact O-N 2.89Å; P205-I207 VanDerWaalsContact O-N 3.1Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 2.83Å; I207-A210 PolarHBondContact O-N 3.43Å; I207-L252 HydrophobicContact CD1-CD2 4.34Å |
| 208 | F | 91.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -73.4 | -21.4 | -178.1 | -56.9 | -61.2 | 0 | 0 | 0 | 112.8 | L194 V203 P205 A206 A210 Q211 L216 F220 L252 Y255 | L194-F208 HydrophobicContact CD1-CE2 4.36Å; L194-F208 HydrophobicContact CD1-CZ 3.84Å; V203-F208 HydrophobicContact CB-CE2 4.47Å; V203-F208 HydrophobicContact CB-CZ 4.48Å; V203-F208 HydrophobicContact CG2-CE2 3.74Å; V203-F208 HydrophobicContact CG2-CZ 3.97Å; P205-F208 WeakPolarHBondContact O-CD2 3.44Å; P205-F208 PolarHBondContact O-N 2.82Å; A206-F208 PolarHBondContact O-N 3.18Å; F208-A210 PolarHBondContact O-N 3Å; F208-Q211 CarbonylContact O-C 3.59Å; F208-Q211 PolarHBondContact O-N 3.45Å; F208-Q211 VanDerWaalsContact O-N 3.11Å; F208-L216 HydrophobicContact CD1-CB 3.61Å; F208-L216 HydrophobicContact CD1-CD1 4.31Å; F208-L216 HydrophobicContact CE1-CB 3.79Å; F208-L216 HydrophobicContact CE1-CD1 3.67Å; F208-L216 HydrophobicContact CE1-CG 4.36Å; F208-L216 HydrophobicContact CG-CB 4.24Å; F208-L216 HydrophobicContact CZ-CD1 4.32Å; F208-F220 HydrophobicContact CB-CB 4.19Å; F208-F220 HydrophobicContact CD2-CB 3.48Å; F208-F220 VanDerWaalsContact CD2-CB 3.48Å; F208-F220 HydrophobicContact CD2-CD2 4.05Å; F208-F220 HydrophobicContact CD2-CG 4.01Å; F208-F220 HydrophobicContact CE2-CB 4.2Å; F208-F220 HydrophobicContact CE2-CD2 4.07Å; F208-F220 HydrophobicContact CE2-CG 4.25Å; F208-F220 HydrophobicContact CG-CB 4.1Å; F208-L252 HydrophobicContact CE1-CD2 4.07Å; F208-L252 HydrophobicContact CZ-CD2 4.1Å; F208-Y255 AromaticContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD2 4.06Å; F208-Y255 AromaticContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE2 4.18Å; F208-Y255 AromaticContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CE1-CD1 4.37Å; F208-Y255 AromaticContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CE1 4.48Å; F208-Y255 HydrophobicContact CE1-CE2 4.12Å; F208-Y255 HydrophobicContact CE1-CG 4.13Å |
| 209 | T | 87.7 | Confident | 91.4 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -63.8 | -21.9 | 176.5 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | A206 I207 Q211 | A206-T209 WeakPolarHBondContact O-CB 3.21Å; A206-T209 PolarHBondContact O-N 2.89Å; A206-T209 PolarHBondContact O-OG1 3.18Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 2.83Å; T209-Q211 PolarHBondContact O-N 2.85Å |
| 210 | A | 87.3 | Confident | 90.9 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 51% | 0.512 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -70.4 | -18.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I207 F208 | I207-A210 PolarHBondContact O-N 3.43Å; F208-A210 PolarHBondContact O-N 3Å |
| 211 | Q | 91.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | trans | -139 | 60.1 | -174.2 | -65.7 | -66.5 | -10 | 0 | 0 | 111.5 | F208 T209 N213 T214 Y254 Y255 | F208-Q211 CarbonylContact O-C 3.59Å; F208-Q211 PolarHBondContact O-N 3.45Å; F208-Q211 VanDerWaalsContact O-N 3.11Å; T209-Q211 PolarHBondContact O-N 2.85Å; Q211-N213 PolarHBondContact O-N 2.78Å; Q211-T214 HydrophobicContact CB-CG2 4.03Å; Q211-T214 PolarHBondContact O-N 2.74Å; Q211-T214 PolarHBondContact O-OG1 2.9Å; Q211-Y254 HydrophobicContact CB-CE1 4.07Å; Q211-Y254 HydrophobicContact CG-CD1 4.21Å; Q211-Y254 HydrophobicContact CG-CE1 3.56Å; Q211-Y254 PolarHBondContact OE1-OH 3.37Å; Q211-Y254 VanDerWaalsContact OE1-OH 3.13Å; Q211-Y255 HydrophobicContact CB-CD1 3.78Å; Q211-Y255 HydrophobicContact CB-CE1 3.75Å; Q211-Y255 HydrophobicContact CG-CD1 4.15Å; Q211-Y255 HydrophobicContact CG-CE1 4.48Å | ||
| 212 | P | 90.8 | Very high | 88.7 | Confident | 74 Ų | 74 | 44 Ų | 44 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.5 | -166.7 | 29.4 | -37.3 | 0 | 0 | 0 | 114.6 | R218 | P212-R218 WeakPolarHBondContact O-CG 3.48Š|
| 213 | N | 91.2 | Very high | 87.2 | Confident | 123 Ų | 123 | 44.5 Ų | 44.5 | 66% | 0.658 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18 | 179.7 | -72.4 | -32.3 | 0 | 0 | 0 | 113.9 | Q211 R218 | Q211-N213 PolarHBondContact O-N 2.78Å; N213-R218 PolarHBondContact O-NE 3.4Å; N213-R218 PolarHBondContact O-NH2 3.11Å |
| 214 | T | 94.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -73.7 | 166.7 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | Q211 G217 R218 Y254 Y255 I280 | Q211-T214 HydrophobicContact CB-CG2 4.03Å; Q211-T214 PolarHBondContact O-N 2.74Å; Q211-T214 PolarHBondContact O-OG1 2.9Å; T214-G217 PolarHBondContact O-N 2.7Å; T214-G217 WeakPolarHBondContact OG1-CA 3.29Å; T214-G217 PolarHBondContact OG1-N 3.1Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 3.13Å; T214-Y254 HydrophobicContact CG2-CE1 4.2Å; T214-Y255 WeakPolarHBondContact CB-OH 3.34Å; T214-Y255 HydrophobicContact CG2-CE1 4.24Å; T214-Y255 WeakPolarHBondContact OG1-CE1 3.48Å; T214-Y255 PolarHBondContact OG1-OH 2.74Å; T214-Y255 VanDerWaalsContact OG1-OH 3.11Å; T214-I280 HydrophobicContact CG2-CG1 3.8Å |
| 215 | M | 92.6 | Very high | 84.1 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 174.7 | -177.6 | -174.2 | -77.6 | 0 | 0 | 111.6 | R218 M219 Y277 L278 | M215-R218 PolarHBondContact O-N 2.73Å; M215-M219 HydrophobicContact CG-SD 3.67Å; M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 VanDerWaalsContact O-CG 3.32Å; M215-M219 WeakPolarHBondContact O-CG 3.34Å; M215-M219 PolarHBondContact O-N 3.06Å; M215-M219 HydrophobicContact SD-SD 4.23Å; M215-Y277 HydrophobicContact CE-CD1 3.88Å; M215-Y277 HydrophobicContact CE-CE1 3.66Å; M215-Y277 WeakPolarHBondContact CE-O 3.37Å; M215-Y277 HydrophobicContact SD-CD1 4.13Å; M215-Y277 HydrophobicContact SD-CE1 3.65Å; M215-L278 HydrophobicContact CB-CD2 4.29Å; M215-L278 WeakPolarHBondContact CB-O 3.3Å; M215-L278 PolarHBondContact N-O 3.28Å; M215-L278 HydrophobicContact SD-CD2 3.86Å |
| 216 | L | 92.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70 | -33.8 | 179.8 | -55.6 | 177.7 | 0 | 0 | 0 | 112.2 | F208 R218 M219 F220 F248 Y255 L278 | F208-L216 HydrophobicContact CD1-CB 3.61Å; F208-L216 HydrophobicContact CD1-CD1 4.31Å; F208-L216 HydrophobicContact CE1-CB 3.79Å; F208-L216 HydrophobicContact CE1-CD1 3.67Å; F208-L216 HydrophobicContact CE1-CG 4.36Å; F208-L216 HydrophobicContact CG-CB 4.24Å; F208-L216 HydrophobicContact CZ-CD1 4.32Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.23Å; L216-M219 HydrophobicContact CD2-SD 4.48Å; L216-M219 PolarHBondContact O-N 3.35Å; L216-F220 HydrophobicContact CB-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CE2 4.08Å; L216-F220 PolarHBondContact O-N 3.34Å; L216-F248 HydrophobicContact CD1-CE2 3.92Å; L216-F248 HydrophobicContact CD1-CZ 3.94Å; L216-Y255 HydrophobicContact CB-CE1 4.47Å; L216-Y255 HydrophobicContact CD1-CE2 3.96Å; L216-L278 HydrophobicContact CD2-CD2 4.47Å; L216-L278 HydrophobicContact CG-CD2 4.27Å |
| 217 | G | 91.4 | Very high | 81.2 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.8 | -37.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T214 G221 | T214-G217 PolarHBondContact O-N 2.7Å; T214-G217 WeakPolarHBondContact OG1-CA 3.29Å; T214-G217 PolarHBondContact OG1-N 3.1Å; G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.44Å; G217-G221 PolarHBondContact O-N 2.65Å; G217-G221 VanDerWaalsContact O-N 3.1Å |
| 218 | R | 89.5 | Confident | 79.7 | Confident | 157 Ų | 157 | 74.1 Ų | 74.1 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -76.6 | -46.9 | 173 | -64.8 | 173.7 | -166.6 | -176.9 | 7 | 111.7 | P212 N213 T214 M215 L216 F220 | P212-R218 WeakPolarHBondContact O-CG 3.48Å; N213-R218 PolarHBondContact O-NE 3.4Å; N213-R218 PolarHBondContact O-NH2 3.11Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 3.13Å; M215-R218 PolarHBondContact O-N 2.73Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.23Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 PolarHBondContact O-N 3.01Å |
| 219 | M | 87.3 | Confident | 78.7 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 12% | 0.123 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.7 | -23.1 | -177.6 | -72.5 | 172.4 | 55 | 0 | 0 | 114.8 | M215 L216 N227 T229 V239 | M215-M219 HydrophobicContact CG-SD 3.67Å; M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 VanDerWaalsContact O-CG 3.32Å; M215-M219 WeakPolarHBondContact O-CG 3.34Å; M215-M219 PolarHBondContact O-N 3.06Å; M215-M219 HydrophobicContact SD-SD 4.23Å; L216-M219 HydrophobicContact CD2-SD 4.48Å; L216-M219 PolarHBondContact O-N 3.35Å; M219-N227 PolarHBondContact O-ND2 2.96Å; M219-N227 PolarHBondContact O-OD1 2.97Å; M219-T229 HydrophobicContact CE-CG2 3.81Å; M219-V239 HydrophobicContact CE-CG1 3.63Å |
| 220 | F | 86.7 | Confident | 78.2 | Confident | 10 Ų | 10 | 83 Ų | 83 | 4% | 0.044 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -131.1 | 4.4 | -176.4 | -60.8 | -70.1 | 0 | 0 | 0 | 114.1 | V192 L194 P205 F208 L216 R218 F237 | V192-F220 HydrophobicContact CG1-CE1 3.92Å; V192-F220 HydrophobicContact CG1-CZ 4.39Å; L194-F220 HydrophobicContact CD2-CE1 4.2Å; L194-F220 HydrophobicContact CD2-CE2 3.64Å; L194-F220 HydrophobicContact CD2-CZ 3.41Å; L194-F220 VanDerWaalsContact CD2-CZ 3.41Å; P205-F220 HydrophobicContact CB-CB 4.44Å; F208-F220 HydrophobicContact CB-CB 4.19Å; F208-F220 HydrophobicContact CD2-CB 3.48Å; F208-F220 VanDerWaalsContact CD2-CB 3.48Å; F208-F220 HydrophobicContact CD2-CD2 4.05Å; F208-F220 HydrophobicContact CD2-CG 4.01Å; F208-F220 HydrophobicContact CE2-CB 4.2Å; F208-F220 HydrophobicContact CE2-CD2 4.07Å; F208-F220 HydrophobicContact CE2-CG 4.25Å; F208-F220 HydrophobicContact CG-CB 4.1Å; L216-F220 HydrophobicContact CB-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CE2 4.08Å; L216-F220 PolarHBondContact O-N 3.34Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 PolarHBondContact O-N 3.01Å; F220-F237 HydrophobicContact CE1-CD1 4.12Å; F220-F237 HydrophobicContact CE1-CD2 4.43Å; F220-F237 HydrophobicContact CE1-CE1 4.22Å; F220-F237 HydrophobicContact CE1-CG 4.22Å; F220-F237 HydrophobicContact CE1-CZ 4.42Å; F220-F237 HydrophobicContact CZ-CB 4.3Å; F220-F237 HydrophobicContact CZ-CD1 4.14Å; F220-F237 HydrophobicContact CZ-CG 4.15Å |
| 221 | G | 77.9 | Confident | 78.1 | Confident | 10 Ų | 10 | 83 Ų | 83 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -83.9 | -161.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G217 G223 R224 | G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.44Å; G217-G221 PolarHBondContact O-N 2.65Å; G217-G221 VanDerWaalsContact O-N 3.1Å; G221-G223 PolarHBondContact O-N 3.36Å; G221-R224 PolarHBondContact O-N 2.93Å |
| 222 | S | 66.3 | Low | 77.9 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 92% | 0.916 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.8 | -172.8 | -47.8 | 0 | 0 | 0 | 0 | 115.6 | R224 | S222-R224 VanDerWaalsContact C-N 3.28Å; S222-R224 PolarHBondContact O-N 3.47Å |
| 223 | G | 61.9 | Low | 77.8 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 11.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | G221 E225 Y226 | G221-G223 PolarHBondContact O-N 3.36Å; G223-E225 PolarHBondContact O-N 3.45Å; G223-Y226 PolarHBondContact O-N 3.34Å |
| 224 | R | 62.8 | Low | 77.6 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -51.6 | -27.7 | -167.8 | -166.4 | 176.8 | 178.9 | -153.9 | -3.9 | 115.2 | E190 G221 S222 Y226 N227 | E190-R224 VanDerWaalsContact CD-NH1 3.29Å; E190-R224 IonicContact OE1-CZ 2.9Å; E190-R224 IonicContact OE1-NH1 3.67Å; E190-R224 PolarHBondContact OE1-NH1 3.47Å; E190-R224 IonicContact OE1-NH2 2.76Å; E190-R224 PolarHBondContact OE1-NH2 3.28Å; E190-R224 IonicContact OE2-CZ 2.74Å; E190-R224 IonicContact OE2-NH1 2.78Å; E190-R224 PolarHBondContact OE2-NH1 3.13Å; E190-R224 IonicContact OE2-NH2 2.78Å; G221-R224 PolarHBondContact O-N 2.93Å; S222-R224 VanDerWaalsContact C-N 3.28Å; S222-R224 PolarHBondContact O-N 3.47Å; R224-Y226 VanDerWaalsContact C-N 3.27Å; R224-Y226 PolarHBondContact O-N 2.85Å; R224-N227 WeakPolarHBondContact CA-ND2 3.43Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.34Å; R224-N227 PolarHBondContact O-ND2 2.97Å |
| 225 | E | 55 | Low | 77.2 | Confident | 180 Ų | 180 | 91 Ų | 91 | 84% | 0.841 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -69.4 | -19.9 | 178.6 | -62.3 | 178.1 | -166.2 | 0 | 0 | 113.8 | G223 | G223-E225 PolarHBondContact O-N 3.45Š|
| 226 | Y | 55.4 | Low | 77.2 | Confident | 206 Ų | 206 | 89.2 Ų | 89.2 | 81% | 0.808 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -106.6 | 11.1 | 179.1 | -59.1 | -72 | 0 | 0 | 0 | 113.6 | G223 R224 F228 | G223-Y226 PolarHBondContact O-N 3.34Å; R224-Y226 VanDerWaalsContact C-N 3.27Å; R224-Y226 PolarHBondContact O-N 2.85Å; Y226-F228 PolarHBondContact O-N 3.03Å |
| 227 | N | 61.2 | Low | 77.1 | Confident | 46 Ų | 46 | 90.1 Ų | 90.1 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | trans | -64.6 | 124.7 | -178.9 | -82.6 | -23.4 | 0 | 0 | 0 | 112.6 | M219 R224 | M219-N227 PolarHBondContact O-ND2 2.96Å; M219-N227 PolarHBondContact O-OD1 2.97Å; R224-N227 WeakPolarHBondContact CA-ND2 3.43Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.34Å; R224-N227 PolarHBondContact O-ND2 2.97Å | ||
| 228 | F | 59.9 | Low | 77.2 | Confident | 203 Ų | 203 | 95.9 Ų | 95.9 | 89% | 0.89 | 47% | 0.472 | S | S | * | . | trans | -75.8 | -29.6 | 171.7 | -152.2 | -94.2 | 0 | 0 | 0 | 112.4 | Y226 R230 | Y226-F228 PolarHBondContact O-N 3.03Å; F228-R230 PolarHBondContact O-N 3.42Å | ||
| 229 | T | 69.2 | Low | 77.2 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 32% | 0.319 | 45% | 0.449 | S | S | . | . | trans | -71.7 | 107.9 | 180 | -38.8 | 0 | 0 | 0 | 0 | 110.6 | M219 F237 | M219-T229 HydrophobicContact CE-CG2 3.81Å; T229-F237 HydrophobicContact CG2-CD1 4.3Å | ||
| 230 | R | 76.5 | Confident | 77.4 | Confident | 217 Ų | 217 | 88.1 Ų | 88.1 | 82% | 0.819 | 44% | 0.444 | S | S | * | . | trans | -88.6 | 146 | 174.4 | -61.9 | -177.3 | -179.1 | -168.7 | -0.8 | 110.1 | F228 | F228-R230 PolarHBondContact O-N 3.42Š| ||
| 231 | P | 85.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | trans | -67.7 | 159.4 | 167.3 | 30.3 | -34 | 0 | 0 | 0 | 110.9 | E236 F237 | P231-E236 CarbonylContact C-O 3.5Å; P231-E236 VanDerWaalsContact CA-O 3.31Å; P231-E236 WeakPolarHBondContact CA-O 3.4Å; P231-F237 HydrophobicContact CB-CD1 4.4Å; P231-F237 HydrophobicContact CB-CD2 4.07Å; P231-F237 HydrophobicContact CB-CE1 4.16Å; P231-F237 HydrophobicContact CB-CE2 3.81Å; P231-F237 HydrophobicContact CB-CG 4.37Å; P231-F237 HydrophobicContact CB-CZ 3.86Å; P231-F237 HydrophobicContact CG-CE1 4.4Å; P231-F237 HydrophobicContact CG-CE2 4.38Å; P231-F237 HydrophobicContact CG-CZ 4.03Å | ||
| 232 | N | 87.8 | Confident | 78.3 | Confident | 44 Ų | 44 | 97.5 Ų | 97.5 | 24% | 0.235 | 51% | 0.511 | C | S | . | . | trans | -74.1 | 179.2 | 168.8 | 69.9 | 21.7 | 0 | 0 | 0 | 111.7 | K234 G235 E236 E238 | N232-K234 PolarHBondContact O-N 3.08Å; N232-K234 WeakPolarHBondContact OD1-CB 3.25Å; N232-K234 PolarHBondContact OD1-N 2.89Å; N232-G235 PolarHBondContact O-N 3Å; N232-E236 VanDerWaalsContact CG-O 3.28Å; N232-E236 PolarHBondContact N-O 3.23Å; N232-E236 PolarHBondContact OD1-N 3.28Å; N232-E236 VanDerWaalsContact OD1-N 3.15Å; N232-E236 PolarHBondContact OD1-O 3.34Å; N232-E238 PolarHBondContact ND2-OE1 2.79Å | ||
| 233 | D | 88.8 | Confident | 79.8 | Confident | 180 Ų | 180 | 91.9 Ų | 91.9 | 96% | 0.963 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.4 | -177.1 | -59.7 | -38.8 | 0 | 0 | 0 | 115.1 | ||
| 234 | K | 87.3 | Confident | 81.5 | Confident | 157 Ų | 157 | 91.4 Ų | 91.4 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.3 | 178.6 | -59.4 | 166.1 | -176.1 | 163.5 | 0 | 113.3 | N232 E236 | N232-K234 PolarHBondContact O-N 3.08Å; N232-K234 WeakPolarHBondContact OD1-CB 3.25Å; N232-K234 PolarHBondContact OD1-N 2.89Å; K234-E236 HydrophobicContact CB-CG 3.93Å; K234-E236 WeakPolarHBondContact CD-OE2 3.46Å |
| 235 | G | 86.3 | Confident | 83 | Confident | 43 Ų | 43 | 87.8 Ų | 87.8 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 82.7 | 10.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N232 | N232-G235 PolarHBondContact O-N 3Š|
| 236 | E | 91.5 | Very high | 85 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | trans | -96.6 | 146.8 | -178.1 | -49.6 | 178.7 | 116.8 | 0 | 0 | 110.1 | T193 I195 R200 P231 N232 K234 | T193-E236 HydrophobicContact CG2-CB 4.27Å; T193-E236 HydrophobicContact CG2-CG 4.03Å; I195-E236 HydrophobicContact CD1-CB 3.73Å; I195-E236 HydrophobicContact CD1-CG 4.47Å; I195-E236 HydrophobicContact CG1-CB 4.09Å; R200-E236 WeakPolarHBondContact CD-OE1 3.44Å; R200-E236 IonicContact CZ-OE1 3.18Å; R200-E236 IonicContact NE-OE1 3.61Å; R200-E236 IonicContact NH1-OE1 3.64Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 2.68Å; R200-E236 PolarHBondContact NH1-OE2 3.03Å; P231-E236 CarbonylContact C-O 3.5Å; P231-E236 VanDerWaalsContact CA-O 3.31Å; P231-E236 WeakPolarHBondContact CA-O 3.4Å; N232-E236 VanDerWaalsContact CG-O 3.28Å; N232-E236 PolarHBondContact N-O 3.23Å; N232-E236 PolarHBondContact OD1-N 3.28Å; N232-E236 VanDerWaalsContact OD1-N 3.15Å; N232-E236 PolarHBondContact OD1-O 3.34Å; K234-E236 HydrophobicContact CB-CG 3.93Å; K234-E236 WeakPolarHBondContact CD-OE2 3.46Å | ||
| 237 | F | 91.5 | Very high | 87 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.6 | -177.9 | -66.5 | -106.1 | 0 | 0 | 0 | 110.3 | V192 T193 L194 I195 F220 T229 P231 V239 | V192-F237 HydrophobicContact CG1-CD2 3.51Å; V192-F237 HydrophobicContact CG1-CE2 3.84Å; V192-F237 HydrophobicContact CG1-CG 4.33Å; V192-F237 HydrophobicContact CG2-CE2 4.5Å; T193-F237 PolarHBondContact O-N 3.42Å; L194-F237 CarbonylContact C-O 3.53Å; L194-F237 WeakPolarHBondContact CA-O 3.4Å; L194-F237 HydrophobicContact CD2-CB 4.01Å; I195-F237 PolarHBondContact N-O 2.83Å; F220-F237 HydrophobicContact CE1-CD1 4.12Å; F220-F237 HydrophobicContact CE1-CD2 4.43Å; F220-F237 HydrophobicContact CE1-CE1 4.22Å; F220-F237 HydrophobicContact CE1-CG 4.22Å; F220-F237 HydrophobicContact CE1-CZ 4.42Å; F220-F237 HydrophobicContact CZ-CB 4.3Å; F220-F237 HydrophobicContact CZ-CD1 4.14Å; F220-F237 HydrophobicContact CZ-CG 4.15Å; T229-F237 HydrophobicContact CG2-CD1 4.3Å; P231-F237 HydrophobicContact CB-CD1 4.4Å; P231-F237 HydrophobicContact CB-CD2 4.07Å; P231-F237 HydrophobicContact CB-CE1 4.16Å; P231-F237 HydrophobicContact CB-CE2 3.81Å; P231-F237 HydrophobicContact CB-CG 4.37Å; P231-F237 HydrophobicContact CB-CZ 3.86Å; P231-F237 HydrophobicContact CG-CE1 4.4Å; P231-F237 HydrophobicContact CG-CE2 4.38Å; P231-F237 HydrophobicContact CG-CZ 4.03Å; F237-V239 HydrophobicContact CB-CG1 4.14Å |
| 238 | E | 91.8 | Very high | 88.7 | Confident | 124 Ų | 124 | 69.1 Ų | 69.1 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.8 | 170.1 | -73.6 | 154.5 | -134.4 | 0 | 0 | 109 | I195 N232 | I195-E238 HydrophobicContact CB-CG 3.88Å; I195-E238 HydrophobicContact CD1-CG 4.1Å; I195-E238 HydrophobicContact CG1-CG 4.45Å; I195-E238 HydrophobicContact CG2-CG 4.25Å; N232-E238 PolarHBondContact ND2-OE1 2.79Å |
| 239 | V | 91.4 | Very high | 90.4 | Very high | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | trans | -144.5 | 168.6 | -172.7 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L194 I195 V196 M219 F237 D241 F248 | L194-V239 HydrophobicContact CB-CG2 4.03Å; L194-V239 HydrophobicContact CD1-CG2 4.43Å; L194-V239 HydrophobicContact CD2-CG1 4.35Å; L194-V239 HydrophobicContact CD2-CG2 4.38Å; I195-V239 PolarHBondContact O-N 2.92Å; V196-V239 HydrophobicContact CG2-CG2 3.61Å; M219-V239 HydrophobicContact CE-CG1 3.63Å; F237-V239 HydrophobicContact CB-CG1 4.14Å; V239-D241 PolarHBondContact O-N 3.47Å; V239-F248 HydrophobicContact CG2-CZ 4.29Å | ||
| 240 | A | 90.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | trans | 56.9 | 45.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V196 I243 F248 L278 | V196-A240 HydrophobicContact CG1-CB 3.9Å; V196-A240 HydrophobicContact CG2-CB 3.99Å; A240-I243 HydrophobicContact CB-CB 4.25Å; A240-I243 HydrophobicContact CB-CD1 4.05Å; A240-I243 WeakPolarHBondContact O-CB 3.26Å; A240-I243 PolarHBondContact O-N 3.38Å; A240-I243 VanDerWaalsContact O-N 3.09Å; A240-F248 HydrophobicContact CB-CD2 3.84Å; A240-F248 HydrophobicContact CB-CE2 3.79Å; A240-L278 HydrophobicContact CB-CD2 4.24Å | ||
| 241 | D | 91.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 143 | 178.9 | -173.1 | 27.4 | 0 | 0 | 0 | 111.6 | V239 I243 Y277 | V239-D241 PolarHBondContact O-N 3.47Å; D241-I243 PolarHBondContact O-N 2.87Å; D241-Y277 PolarHBondContact N-OH 3.18Å |
| 242 | G | 93.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 81% | 0.814 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -12.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 243 | I | 96.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | trans | -90.3 | 127.3 | -178 | -60.5 | 174.3 | 0 | 0 | 0 | 110.6 | V196 A240 D241 V247 F248 A274 Y277 L278 | V196-I243 VanDerWaalsContact CG1-O 3.28Å; V196-I243 WeakPolarHBondContact CG1-O 3.22Å; A240-I243 HydrophobicContact CB-CB 4.25Å; A240-I243 HydrophobicContact CB-CD1 4.05Å; A240-I243 WeakPolarHBondContact O-CB 3.26Å; A240-I243 PolarHBondContact O-N 3.38Å; A240-I243 VanDerWaalsContact O-N 3.09Å; D241-I243 PolarHBondContact O-N 2.87Å; I243-V247 HydrophobicContact CG2-CB 3.98Å; I243-V247 HydrophobicContact CG2-CG1 3.72Å; I243-F248 HydrophobicContact CG2-CB 4.38Å; I243-A274 HydrophobicContact CB-CB 4.49Å; I243-A274 HydrophobicContact CD1-CB 3.79Å; I243-A274 HydrophobicContact CG1-CB 3.84Å; I243-A274 HydrophobicContact CG2-CB 3.88Å; I243-Y277 HydrophobicContact CD1-CD1 3.79Å; I243-Y277 HydrophobicContact CD1-CE1 4.42Å; I243-Y277 HydrophobicContact CD1-CG 4.08Å; I243-L278 HydrophobicContact CD1-CD1 3.89Å; I243-L278 HydrophobicContact CD1-CD2 4.45Å; I243-L278 HydrophobicContact CD1-CG 3.81Å | ||
| 244 | S | 96.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | trans | -66.4 | 144.6 | -179.9 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | T246 V247 F248 E270 | S244-T246 PolarHBondContact O-N 2.91Å; S244-V247 PolarHBondContact O-N 2.94Å; S244-V247 VanDerWaalsContact OG-CG2 3.31Å; S244-V247 WeakPolarHBondContact OG-CG2 3.36Å; S244-V247 PolarHBondContact OG-N 3.01Å; S244-F248 PolarHBondContact O-N 3.41Å; S244-E270 PolarHBondContact OG-OE1 3.26Å | ||
| 245 | S | 95.9 | Very high | 94 | Very high | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -23.2 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | D197 T199 F201 R249 | D197-S245 WeakPolarHBondContact OD2-CB 3.36Å; D197-S245 PolarHBondContact OD2-N 3.44Å; D197-S245 PolarHBondContact OD2-OG 3.25Å; T199-S245 WeakPolarHBondContact OG1-CB 3.47Å; F201-S245 WeakPolarHBondContact CZ-O 3.48Å; S245-R249 WeakPolarHBondContact O-CB 3.4Å; S245-R249 PolarHBondContact O-N 3.44Å; S245-R249 PolarHBondContact O-NH1 3.18Å |
| 246 | T | 96 | Very high | 94.2 | Very high | 40 Ų | 40 | 36 Ų | 36 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -81.3 | -37.5 | 175 | -73.1 | 0 | 0 | 0 | 0 | 112.9 | S244 R249 P263 I266 | S244-T246 PolarHBondContact O-N 2.91Å; T246-R249 PolarHBondContact OG1-NH1 3.07Å; T246-R249 PolarHBondContact OG1-NH2 3.38Å; T246-P263 HydrophobicContact CG2-CB 3.74Å; T246-P263 HydrophobicContact CG2-CG 3.87Å; T246-I266 HydrophobicContact CG2-CD1 3.9Å; T246-I266 HydrophobicContact CG2-CG1 3.82Å |
| 247 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -47 | 168.8 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | I243 S244 R249 A250 I251 I266 E270 L271 A274 | I243-V247 HydrophobicContact CG2-CB 3.98Å; I243-V247 HydrophobicContact CG2-CG1 3.72Å; S244-V247 PolarHBondContact O-N 2.94Å; S244-V247 VanDerWaalsContact OG-CG2 3.31Å; S244-V247 WeakPolarHBondContact OG-CG2 3.36Å; S244-V247 PolarHBondContact OG-N 3.01Å; V247-R249 VanDerWaalsContact C-N 3.3Å; V247-R249 PolarHBondContact O-N 2.94Å; V247-A250 PolarHBondContact O-N 3.28Å; V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 PolarHBondContact O-N 3.04Å; V247-I266 HydrophobicContact CG2-CD1 4.04Å; V247-I266 HydrophobicContact CG2-CG1 4.22Å; V247-I266 HydrophobicContact CG2-CG2 3.63Å; V247-E270 HydrophobicContact CG2-CG 4.17Å; V247-E270 WeakPolarHBondContact CG2-OE1 3.36Å; V247-L271 HydrophobicContact CG1-CD1 3.95Å; V247-A274 HydrophobicContact CG1-CB 3.5Å |
| 248 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | -179 | -165.6 | -102.1 | 0 | 0 | 0 | 112.9 | L194 V196 F201 L216 V239 A240 I243 S244 A250 I251 L252 L278 | L194-F248 HydrophobicContact CD1-CE1 4.23Å; L194-F248 HydrophobicContact CD1-CZ 3.88Å; V196-F248 HydrophobicContact CB-CB 4.42Å; V196-F248 HydrophobicContact CB-CD1 4.17Å; V196-F248 HydrophobicContact CB-CD2 4.46Å; V196-F248 HydrophobicContact CB-CG 4.1Å; V196-F248 HydrophobicContact CG1-CB 3.94Å; V196-F248 HydrophobicContact CG1-CD2 4.11Å; V196-F248 HydrophobicContact CG1-CG 3.93Å; V196-F248 HydrophobicContact CG2-CD1 3.73Å; V196-F248 HydrophobicContact CG2-CD2 3.89Å; V196-F248 HydrophobicContact CG2-CE1 3.7Å; V196-F248 HydrophobicContact CG2-CE2 3.87Å; V196-F248 HydrophobicContact CG2-CG 3.83Å; V196-F248 HydrophobicContact CG2-CZ 3.78Å; F201-F248 HydrophobicContact CB-CE1 4.27Å; F201-F248 AromaticContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CE1 4.32Å; F201-F248 AromaticContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CE1 4.09Å; F201-F248 AromaticContact CE1-CD1 3.99Å; F201-F248 HydrophobicContact CE1-CD1 3.99Å; F201-F248 AromaticContact CE2-CD1 3.86Å; F201-F248 HydrophobicContact CE2-CD1 3.86Å; F201-F248 AromaticContact CG-CD1 3.89Å; F201-F248 HydrophobicContact CG-CD1 3.89Å; F201-F248 AromaticContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CZ-CB 4.43Å; F201-F248 AromaticContact CZ-CD1 3.95Å; F201-F248 HydrophobicContact CZ-CD1 3.95Å; L216-F248 HydrophobicContact CD1-CE2 3.92Å; L216-F248 HydrophobicContact CD1-CZ 3.94Å; V239-F248 HydrophobicContact CG2-CZ 4.29Å; A240-F248 HydrophobicContact CB-CD2 3.84Å; A240-F248 HydrophobicContact CB-CE2 3.79Å; I243-F248 HydrophobicContact CG2-CB 4.38Å; S244-F248 PolarHBondContact O-N 3.41Å; F248-A250 PolarHBondContact O-N 3.34Å; F248-I251 PolarHBondContact O-N 3.33Å; F248-I251 VanDerWaalsContact O-N 3.13Å; F248-L252 HydrophobicContact CD1-CD1 4.05Å; F248-L252 HydrophobicContact CD1-CG 4.2Å; F248-L252 HydrophobicContact CE1-CD1 3.84Å; F248-L252 HydrophobicContact CE1-CD2 4.01Å; F248-L252 HydrophobicContact CE1-CG 3.94Å; F248-L252 HydrophobicContact CZ-CD2 4.24Å; F248-L252 PolarHBondContact O-N 2.71Å; F248-L278 HydrophobicContact CD2-CD1 4.34Å; F248-L278 HydrophobicContact CE2-CD1 4.3Å |
| 249 | R | 95.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.5 | -46.6 | 171 | 167.6 | 162.1 | 72.4 | -94.9 | -1.7 | 112.8 | Y176 F201 S245 T246 V247 I251 L252 | Y176-R249 WeakPolarHBondContact OH-CG 3.4Å; F201-R249 HydrophobicContact CE1-CB 4.28Å; S245-R249 WeakPolarHBondContact O-CB 3.4Å; S245-R249 PolarHBondContact O-N 3.44Å; S245-R249 PolarHBondContact O-NH1 3.18Å; T246-R249 PolarHBondContact OG1-NH1 3.07Å; T246-R249 PolarHBondContact OG1-NH2 3.38Å; V247-R249 VanDerWaalsContact C-N 3.3Å; V247-R249 PolarHBondContact O-N 2.94Å; R249-I251 VanDerWaalsContact C-N 3.29Å; R249-I251 PolarHBondContact O-N 2.89Å; R249-L252 PolarHBondContact O-N 3.29Å |
| 250 | A | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V247 F248 D253 I260 R261 P263 | V247-A250 PolarHBondContact O-N 3.28Å; F248-A250 PolarHBondContact O-N 3.34Å; A250-D253 PolarHBondContact O-N 2.94Å; A250-I260 HydrophobicContact CB-CG2 4Å; A250-R261 WeakPolarHBondContact CB-O 3.48Å; A250-P263 HydrophobicContact CB-CG 3.83Å |
| 251 | I | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.8 | -31.5 | 174.9 | -69.6 | 177.2 | 0 | 0 | 0 | 111.6 | V247 F248 R249 D253 Y254 Y255 I260 A274 L278 I280 | V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 PolarHBondContact O-N 3.04Å; F248-I251 PolarHBondContact O-N 3.33Å; F248-I251 VanDerWaalsContact O-N 3.13Å; R249-I251 VanDerWaalsContact C-N 3.29Å; R249-I251 PolarHBondContact O-N 2.89Å; I251-D253 VanDerWaalsContact C-N 3.25Å; I251-D253 PolarHBondContact O-N 3.31Å; I251-Y254 WeakPolarHBondContact O-CB 3.36Å; I251-Y254 PolarHBondContact O-N 3.11Å; I251-Y254 VanDerWaalsContact O-N 3.12Å; I251-Y255 HydrophobicContact CG2-CE2 3.88Å; I251-Y255 WeakPolarHBondContact O-CD2 3.32Å; I251-I260 HydrophobicContact CG1-CD1 3.96Å; I251-I260 HydrophobicContact CG1-CG1 4.5Å; I251-A274 HydrophobicContact CD1-CB 4.04Å; I251-L278 HydrophobicContact CD1-CD1 3.87Å; I251-L278 HydrophobicContact CG2-CD1 3.86Å; I251-I280 HydrophobicContact CG2-CD1 3.51Å |
| 252 | L | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -26.8 | 172.2 | -69.5 | 175.8 | 0 | 0 | 0 | 113.3 | Y176 F201 V203 I207 F208 F248 R249 Y254 | Y176-L252 HydrophobicContact CD1-CB 3.97Å; Y176-L252 HydrophobicContact CD1-CD1 4.18Å; Y176-L252 HydrophobicContact CD2-CD1 3.82Å; Y176-L252 HydrophobicContact CE1-CB 3.7Å; Y176-L252 HydrophobicContact CE1-CD1 3.9Å; Y176-L252 HydrophobicContact CE1-CG 4.48Å; Y176-L252 HydrophobicContact CE2-CD1 3.52Å; Y176-L252 HydrophobicContact CG-CD1 4.16Å; F201-L252 HydrophobicContact CB-CD1 4.14Å; F201-L252 HydrophobicContact CD1-CD1 3.51Å; F201-L252 HydrophobicContact CE1-CD1 4.29Å; F201-L252 HydrophobicContact CG-CD1 4.12Å; V203-L252 HydrophobicContact CG1-CD1 4.08Å; V203-L252 HydrophobicContact CG1-CD2 4.1Å; I207-L252 HydrophobicContact CD1-CD2 4.34Å; F208-L252 HydrophobicContact CE1-CD2 4.07Å; F208-L252 HydrophobicContact CZ-CD2 4.1Å; F248-L252 HydrophobicContact CD1-CD1 4.05Å; F248-L252 HydrophobicContact CD1-CG 4.2Å; F248-L252 HydrophobicContact CE1-CD1 3.84Å; F248-L252 HydrophobicContact CE1-CD2 4.01Å; F248-L252 HydrophobicContact CE1-CG 3.94Å; F248-L252 HydrophobicContact CZ-CD2 4.24Å; F248-L252 PolarHBondContact O-N 2.71Å; R249-L252 PolarHBondContact O-N 3.29Å; L252-Y254 VanDerWaalsContact C-N 3.35Å |
| 253 | D | 93.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 40% | 0.401 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.9 | -24.9 | 172.7 | -77.5 | -23.7 | 0 | 0 | 0 | 113 | A250 I251 K256 S257 | A250-D253 PolarHBondContact O-N 2.94Å; I251-D253 VanDerWaalsContact C-N 3.25Å; I251-D253 PolarHBondContact O-N 3.31Å; D253-K256 PolarHBondContact O-N 2.88Å; D253-S257 WeakPolarHBondContact O-CB 3.44Å; D253-S257 PolarHBondContact O-N 3.24Å; D253-S257 PolarHBondContact O-OG 2.88Å |
| 254 | Y | 95.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 173.3 | 168.9 | -98.5 | 0 | 0 | 0 | 111.8 | Q211 T214 I251 L252 K256 S257 G258 I260 I280 T286 | Q211-Y254 HydrophobicContact CB-CE1 4.07Å; Q211-Y254 HydrophobicContact CG-CD1 4.21Å; Q211-Y254 HydrophobicContact CG-CE1 3.56Å; Q211-Y254 PolarHBondContact OE1-OH 3.37Å; Q211-Y254 VanDerWaalsContact OE1-OH 3.13Å; T214-Y254 HydrophobicContact CG2-CE1 4.2Å; I251-Y254 WeakPolarHBondContact O-CB 3.36Å; I251-Y254 PolarHBondContact O-N 3.11Å; I251-Y254 VanDerWaalsContact O-N 3.12Å; L252-Y254 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-K256 VanDerWaalsContact O-N 3.16Å; Y254-S257 PolarHBondContact O-N 3.48Å; Y254-G258 WeakPolarHBondContact CD2-O 3.44Å; Y254-G258 WeakPolarHBondContact O-CA 3.36Å; Y254-G258 PolarHBondContact O-N 3.15Å; Y254-I260 HydrophobicContact CD2-CG1 4.21Å; Y254-I260 HydrophobicContact CG-CG1 4.14Å; Y254-I280 HydrophobicContact CD1-CD1 4.22Å; Y254-I280 HydrophobicContact CD1-CG1 4.46Å; Y254-I280 HydrophobicContact CD1-CG2 4.2Å; Y254-I280 HydrophobicContact CD2-CG2 4.42Å; Y254-I280 HydrophobicContact CE1-CD1 4.48Å; Y254-I280 HydrophobicContact CE1-CG1 4.23Å; Y254-I280 HydrophobicContact CE1-CG2 3.84Å; Y254-I280 HydrophobicContact CE2-CG2 4.09Å; Y254-I280 HydrophobicContact CG-CG2 4.48Å; Y254-T286 HydrophobicContact CD2-CG2 3.68Å; Y254-T286 HydrophobicContact CE2-CG2 3.49Å; Y254-T286 VanDerWaalsContact CE2-CG2 3.49Å |
| 255 | Y | 94.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -21.1 | 175.1 | -66.5 | -79.7 | 0 | 0 | 0 | 113.4 | F208 Q211 T214 L216 I251 | F208-Y255 AromaticContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD2 4.06Å; F208-Y255 AromaticContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE2 4.18Å; F208-Y255 AromaticContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CE1-CD1 4.37Å; F208-Y255 AromaticContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CE1 4.48Å; F208-Y255 HydrophobicContact CE1-CE2 4.12Å; F208-Y255 HydrophobicContact CE1-CG 4.13Å; Q211-Y255 HydrophobicContact CB-CD1 3.78Å; Q211-Y255 HydrophobicContact CB-CE1 3.75Å; Q211-Y255 HydrophobicContact CG-CD1 4.15Å; Q211-Y255 HydrophobicContact CG-CE1 4.48Å; T214-Y255 WeakPolarHBondContact CB-OH 3.34Å; T214-Y255 HydrophobicContact CG2-CE1 4.24Å; T214-Y255 WeakPolarHBondContact OG1-CE1 3.48Å; T214-Y255 PolarHBondContact OG1-OH 2.74Å; T214-Y255 VanDerWaalsContact OG1-OH 3.11Å; L216-Y255 HydrophobicContact CB-CE1 4.47Å; L216-Y255 HydrophobicContact CD1-CE2 3.96Å; I251-Y255 HydrophobicContact CG2-CE2 3.88Å; I251-Y255 WeakPolarHBondContact O-CD2 3.32Å |
| 256 | K | 90.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -93.9 | -23.2 | 176.2 | -62.3 | -172.7 | -176.9 | -172.5 | 0 | 114.5 | E177 D253 Y254 | E177-K256 PolarHBondContact O-NZ 3.21Å; D253-K256 PolarHBondContact O-N 2.88Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-K256 VanDerWaalsContact O-N 3.16Å |
| 257 | S | 92.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -136.9 | -10.4 | -165.5 | 71.2 | 0 | 0 | 0 | 0 | 116.2 | D253 Y254 I259 | D253-S257 WeakPolarHBondContact O-CB 3.44Å; D253-S257 PolarHBondContact O-N 3.24Å; D253-S257 PolarHBondContact O-OG 2.88Å; Y254-S257 PolarHBondContact O-N 3.48Å; S257-I259 PolarHBondContact O-N 2.88Å; S257-I259 PolarHBondContact OG-N 2.91Å; S257-I259 PolarHBondContact OG-O 2.88Å |
| 258 | G | 94.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 71.6 | 7.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y254 | Y254-G258 WeakPolarHBondContact CD2-O 3.44Å; Y254-G258 WeakPolarHBondContact O-CA 3.36Å; Y254-G258 PolarHBondContact O-N 3.15Å |
| 259 | I | 95.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 46 Ų | 46 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | trans | -133.1 | 128.3 | -173.8 | -60.9 | 178.1 | 0 | 0 | 0 | 111 | S257 R261 T286 K288 | S257-I259 PolarHBondContact O-N 2.88Å; S257-I259 PolarHBondContact OG-N 2.91Å; S257-I259 PolarHBondContact OG-O 2.88Å; I259-R261 HydrophobicContact CG2-CG 4.32Å; I259-T286 CarbonylContact C-O 3.54Å; I259-T286 WeakPolarHBondContact CA-O 3.31Å; I259-K288 HydrophobicContact CG2-CB 4.46Å; I259-K288 HydrophobicContact CG2-CG 3.55Å | ||
| 260 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.2 | 163.5 | -55.1 | 171.3 | 0 | 0 | 0 | 108.7 | A250 I251 Y254 L271 C275 I280 T286 I287 K288 | A250-I260 HydrophobicContact CB-CG2 4Å; I251-I260 HydrophobicContact CG1-CD1 3.96Å; I251-I260 HydrophobicContact CG1-CG1 4.5Å; Y254-I260 HydrophobicContact CD2-CG1 4.21Å; Y254-I260 HydrophobicContact CG-CG1 4.14Å; I260-L271 HydrophobicContact CD1-CD1 4.45Å; I260-L271 HydrophobicContact CG2-CD1 3.97Å; I260-L271 HydrophobicContact CG2-CD2 4.05Å; I260-C275 VanDerWaalsContact CD1-SG 3.54Å; I260-I280 HydrophobicContact CD1-CG2 4.12Å; I260-T286 HydrophobicContact CD1-CG2 4.34Å; I260-T286 HydrophobicContact CG1-CG2 4.35Å; I260-T286 PolarHBondContact N-O 2.97Å; I260-I287 HydrophobicContact CB-CD1 4.19Å; I260-I287 HydrophobicContact CD1-CD1 3.93Å; I260-I287 HydrophobicContact CG1-CD1 4.48Å; I260-K288 PolarHBondContact O-N 3.34Å |
| 261 | R | 96.8 | Very high | 95.3 | Very high | 167 Ų | 167 | 45.1 Ų | 45.1 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.5 | 167.7 | -63.6 | 178 | -175.8 | -85.4 | -3.3 | 108.1 | A250 I259 P263 K288 | A250-R261 WeakPolarHBondContact CB-O 3.48Å; I259-R261 HydrophobicContact CG2-CG 4.32Å; R261-P263 WeakPolarHBondContact O-CD 3.38Å; R261-K288 CarbonylContact C-O 3.59Å; R261-K288 WeakPolarHBondContact CA-O 3.46Å |
| 262 | C | 96.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 123.7 | 179.3 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | I268 L271 K288 C289 | C262-I268 HydrophobicContact CB-CD1 4.16Å; C262-L271 HydrophobicContact CB-CD2 3.78Å; C262-K288 PolarHBondContact N-O 3.07Å; C262-C289 HydrophobicContact CB-CB 4.03Å |
| 263 | P | 95.7 | Very high | 95.4 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 157.6 | 178.9 | -20.1 | 32.6 | 0 | 0 | 0 | 112.8 | T246 A250 R261 G265 I266 | T246-P263 HydrophobicContact CG2-CB 3.74Å; T246-P263 HydrophobicContact CG2-CG 3.87Å; A250-P263 HydrophobicContact CB-CG 3.83Å; R261-P263 WeakPolarHBondContact O-CD 3.38Å; P263-G265 PolarHBondContact O-N 3.3Å; P263-I266 HydrophobicContact CB-CB 4.42Å; P263-I266 HydrophobicContact CB-CG1 3.79Å; P263-I266 HydrophobicContact CG-CG1 3.99Å; P263-I266 PolarHBondContact O-N 3.05Å |
| 264 | D | 92.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 50 Ų | 50 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 130 | 172.9 | -72.3 | -14.3 | 0 | 0 | 0 | 110.6 | R290 | D264-R290 VanDerWaalsContact CG-NH2 3.26Å; D264-R290 IonicContact OD1-CZ 2.7Å; D264-R290 IonicContact OD1-NE 3.19Å; D264-R290 PolarHBondContact OD1-NE 3.29Å; D264-R290 IonicContact OD1-NH1 3.1Å; D264-R290 PolarHBondContact OD1-NH1 3.09Å; D264-R290 IonicContact OD1-NH2 3.43Å; D264-R290 PolarHBondContact OD1-NH2 3.45Å; D264-R290 IonicContact OD2-CZ 2.76Å; D264-R290 IonicContact OD2-NH1 3Å; D264-R290 PolarHBondContact OD2-NH1 2.91Å; D264-R290 IonicContact OD2-NH2 2.86Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å |
| 265 | G | 92.5 | Very high | 95.7 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 90% | 0.897 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | -10.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P263 | P263-G265 PolarHBondContact O-N 3.3Š|
| 266 | I | 96.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 16% | 0.159 | 30% | 0.301 | C | S | . | . | trans | -84.9 | 141.7 | 173.8 | -63.5 | -56.7 | 0 | 0 | 0 | 110 | T246 V247 P263 L271 | T246-I266 HydrophobicContact CG2-CD1 3.9Å; T246-I266 HydrophobicContact CG2-CG1 3.82Å; V247-I266 HydrophobicContact CG2-CD1 4.04Å; V247-I266 HydrophobicContact CG2-CG1 4.22Å; V247-I266 HydrophobicContact CG2-CG2 3.63Å; P263-I266 HydrophobicContact CB-CB 4.42Å; P263-I266 HydrophobicContact CB-CG1 3.79Å; P263-I266 HydrophobicContact CG-CG1 3.99Å; P263-I266 PolarHBondContact O-N 3.05Å; I266-L271 HydrophobicContact CG2-CB 4.42Å | ||
| 267 | S | 96.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | trans | -85.9 | 150.5 | 176.3 | 79.7 | 0 | 0 | 0 | 0 | 111.7 | E270 L271 | S267-E270 PolarHBondContact O-N 2.99Å; S267-E270 WeakPolarHBondContact OG-CB 3.48Å; S267-E270 PolarHBondContact OG-N 3.1Å; S267-E270 VanDerWaalsContact OG-N 3.1Å; S267-L271 PolarHBondContact O-N 3.39Å; S267-L271 VanDerWaalsContact O-N 3.11Å | ||
| 268 | I | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 176.3 | -52.6 | -56.9 | 0 | 0 | 0 | 112.3 | C262 L271 R272 F282 C289 A294 E298 | C262-I268 HydrophobicContact CB-CD1 4.16Å; I268-L271 PolarHBondContact O-N 3.12Å; I268-R272 WeakPolarHBondContact O-CB 3.09Å; I268-R272 PolarHBondContact O-N 3.49Å; I268-F282 HydrophobicContact CG2-CE2 4.41Å; I268-F282 HydrophobicContact CG2-CZ 3.66Å; I268-C289 HydrophobicContact CD1-CB 3.59Å; I268-A294 HydrophobicContact CB-CB 3.85Å; I268-A294 HydrophobicContact CG1-CB 3.52Å; I268-E298 HydrophobicContact CG2-CG 3.95Å |
| 269 | P | 96.7 | Very high | 96.4 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 170.6 | -27.4 | 36.9 | 0 | 0 | 0 | 114.2 | L271 R272 E273 | P269-L271 VanDerWaalsContact C-N 3.31Å; P269-L271 PolarHBondContact O-N 3.1Å; P269-R272 WeakPolarHBondContact O-CA 3.46Å; P269-R272 WeakPolarHBondContact O-CB 3.32Å; P269-R272 PolarHBondContact O-N 3.03Å; P269-E273 WeakPolarHBondContact O-CG 3.28Å; P269-E273 PolarHBondContact O-N 2.62Å |
| 270 | E | 97.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 174.8 | -179.8 | -165.4 | 168.2 | 0 | 0 | 111.2 | S244 V247 S267 R272 A274 | S244-E270 PolarHBondContact OG-OE1 3.26Å; V247-E270 HydrophobicContact CG2-CG 4.17Å; V247-E270 WeakPolarHBondContact CG2-OE1 3.36Å; S267-E270 PolarHBondContact O-N 2.99Å; S267-E270 WeakPolarHBondContact OG-CB 3.48Å; S267-E270 PolarHBondContact OG-N 3.1Å; S267-E270 VanDerWaalsContact OG-N 3.1Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.04Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.47Å; E270-A274 VanDerWaalsContact O-N 3.14Å |
| 271 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 175.5 | 178.9 | 59.1 | 0 | 0 | 0 | 112.2 | V247 I260 C262 I266 S267 I268 P269 C275 I287 | V247-L271 HydrophobicContact CG1-CD1 3.95Å; I260-L271 HydrophobicContact CD1-CD1 4.45Å; I260-L271 HydrophobicContact CG2-CD1 3.97Å; I260-L271 HydrophobicContact CG2-CD2 4.05Å; C262-L271 HydrophobicContact CB-CD2 3.78Å; I266-L271 HydrophobicContact CG2-CB 4.42Å; S267-L271 PolarHBondContact O-N 3.39Å; S267-L271 VanDerWaalsContact O-N 3.11Å; I268-L271 PolarHBondContact O-N 3.12Å; P269-L271 VanDerWaalsContact C-N 3.31Å; P269-L271 PolarHBondContact O-N 3.1Å; L271-C275 PolarHBondContact O-N 3.02Å; L271-C275 PolarHBondContact O-SG 3.37Å; L271-I287 HydrophobicContact CD2-CD1 4.38Å; L271-I287 HydrophobicContact CD2-CG2 4.32Å |
| 272 | R | 97.5 | Very high | 96.3 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -51.9 | 175.9 | 171 | 56.9 | -176 | -99.4 | 9 | 111.1 | I268 P269 E270 A274 C275 D276 F282 D302 | I268-R272 WeakPolarHBondContact O-CB 3.09Å; I268-R272 PolarHBondContact O-N 3.49Å; P269-R272 WeakPolarHBondContact O-CA 3.46Å; P269-R272 WeakPolarHBondContact O-CB 3.32Å; P269-R272 PolarHBondContact O-N 3.03Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.04Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 3.23Å; R272-C275 WeakPolarHBondContact O-CB 3.29Å; R272-C275 PolarHBondContact O-N 2.92Å; R272-D276 IonicContact CZ-OD1 3.24Å; R272-D276 IonicContact CZ-OD2 2.7Å; R272-D276 VanDerWaalsContact NE-CG 3.27Å; R272-D276 IonicContact NE-OD1 2.99Å; R272-D276 PolarHBondContact NE-OD1 3.5Å; R272-D276 VanDerWaalsContact NE-OD1 3.09Å; R272-D276 IonicContact NE-OD2 3.71Å; R272-D276 PolarHBondContact NE-OD2 2.72Å; R272-D276 IonicContact NH2-OD1 3.41Å; R272-D276 IonicContact NH2-OD2 3.23Å; R272-D276 PolarHBondContact O-N 2.89Å; R272-F282 HydrophobicContact CB-CD2 4.06Å; R272-F282 HydrophobicContact CB-CE2 3.81Å; R272-F282 HydrophobicContact CB-CZ 4.17Å; R272-F282 VanDerWaalsContact CD-CG 3.4Å; R272-F282 HydrophobicContact CG-CD2 4.46Å; R272-D302 IonicContact CZ-OD1 2.68Å; R272-D302 IonicContact CZ-OD2 2.68Å; R272-D302 IonicContact NH1-OD1 2.74Å; R272-D302 PolarHBondContact NH1-OD1 3.14Å; R272-D302 IonicContact NH1-OD2 3.43Å; R272-D302 PolarHBondContact NH1-OD2 3.35Å; R272-D302 IonicContact NH2-OD1 3.26Å; R272-D302 PolarHBondContact NH2-OD1 3.09Å; R272-D302 IonicContact NH2-OD2 2.72Å; R272-D302 PolarHBondContact NH2-OD2 3.25Å |
| 273 | E | 97.3 | Very high | 96.2 | Very high | 138 Ų | 138 | 47.3 Ų | 47.3 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.8 | -42.5 | 176.9 | -70.3 | 174.6 | 179.9 | 0 | 0 | 111.4 | P269 C275 D276 Y277 | P269-E273 WeakPolarHBondContact O-CG 3.28Å; P269-E273 PolarHBondContact O-N 2.62Å; E273-C275 PolarHBondContact O-N 3.25Å; E273-D276 PolarHBondContact O-N 3.5Å; E273-Y277 WeakPolarHBondContact O-CB 3.46Å; E273-Y277 PolarHBondContact O-N 3.31Å |
| 274 | A | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I243 V247 I251 E270 R272 L278 | I243-A274 HydrophobicContact CB-CB 4.49Å; I243-A274 HydrophobicContact CD1-CB 3.79Å; I243-A274 HydrophobicContact CG1-CB 3.84Å; I243-A274 HydrophobicContact CG2-CB 3.88Å; V247-A274 HydrophobicContact CG1-CB 3.5Å; I251-A274 HydrophobicContact CD1-CB 4.04Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.47Å; E270-A274 VanDerWaalsContact O-N 3.14Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 3.23Å; A274-L278 WeakPolarHBondContact O-CB 3.31Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.14Å |
| 275 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -44.7 | 174.5 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | I260 L271 R272 E273 L278 C279 I280 F282 | I260-C275 VanDerWaalsContact CD1-SG 3.54Å; L271-C275 PolarHBondContact O-N 3.02Å; L271-C275 PolarHBondContact O-SG 3.37Å; R272-C275 WeakPolarHBondContact O-CB 3.29Å; R272-C275 PolarHBondContact O-N 2.92Å; E273-C275 PolarHBondContact O-N 3.25Å; C275-L278 CarbonylContact O-C 3.57Å; C275-L278 PolarHBondContact O-N 3.05Å; C275-C279 PolarHBondContact O-N 3.49Å; C275-I280 HydrophobicContact CB-CB 4.25Å; C275-I280 PolarHBondContact O-N 3.11Å; C275-F282 HydrophobicContact CB-CB 4.44Å; C275-F282 HydrophobicContact CB-CD2 4.11Å |
| 276 | D | 96.7 | Very high | 96.3 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.3 | -73.7 | -14.1 | 0 | 0 | 0 | 110.6 | R272 E273 C279 | R272-D276 IonicContact CZ-OD1 3.24Å; R272-D276 IonicContact CZ-OD2 2.7Å; R272-D276 VanDerWaalsContact NE-CG 3.27Å; R272-D276 IonicContact NE-OD1 2.99Å; R272-D276 PolarHBondContact NE-OD1 3.5Å; R272-D276 VanDerWaalsContact NE-OD1 3.09Å; R272-D276 IonicContact NE-OD2 3.71Å; R272-D276 PolarHBondContact NE-OD2 2.72Å; R272-D276 IonicContact NH2-OD1 3.41Å; R272-D276 IonicContact NH2-OD2 3.23Å; R272-D276 PolarHBondContact O-N 2.89Å; E273-D276 PolarHBondContact O-N 3.5Å; D276-C279 PolarHBondContact O-N 3.32Å |
| 277 | Y | 96.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 47 Ų | 47 | 38% | 0.384 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.1 | -51.7 | 173.5 | -178.8 | -74.4 | 0 | 0 | 0 | 111.8 | M215 D241 I243 E273 C279 | M215-Y277 HydrophobicContact CE-CD1 3.88Å; M215-Y277 HydrophobicContact CE-CE1 3.66Å; M215-Y277 WeakPolarHBondContact CE-O 3.37Å; M215-Y277 HydrophobicContact SD-CD1 4.13Å; M215-Y277 HydrophobicContact SD-CE1 3.65Å; D241-Y277 PolarHBondContact N-OH 3.18Å; I243-Y277 HydrophobicContact CD1-CD1 3.79Å; I243-Y277 HydrophobicContact CD1-CE1 4.42Å; I243-Y277 HydrophobicContact CD1-CG 4.08Å; E273-Y277 WeakPolarHBondContact O-CB 3.46Å; E273-Y277 PolarHBondContact O-N 3.31Å; Y277-C279 PolarHBondContact O-N 3.38Å |
| 278 | L | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.8 | -177.3 | -67.2 | 176.1 | 0 | 0 | 0 | 114 | M215 L216 A240 I243 F248 I251 A274 C275 I280 | M215-L278 HydrophobicContact CB-CD2 4.29Å; M215-L278 WeakPolarHBondContact CB-O 3.3Å; M215-L278 PolarHBondContact N-O 3.28Å; M215-L278 HydrophobicContact SD-CD2 3.86Å; L216-L278 HydrophobicContact CD2-CD2 4.47Å; L216-L278 HydrophobicContact CG-CD2 4.27Å; A240-L278 HydrophobicContact CB-CD2 4.24Å; I243-L278 HydrophobicContact CD1-CD1 3.89Å; I243-L278 HydrophobicContact CD1-CD2 4.45Å; I243-L278 HydrophobicContact CD1-CG 3.81Å; F248-L278 HydrophobicContact CD2-CD1 4.34Å; F248-L278 HydrophobicContact CE2-CD1 4.3Å; I251-L278 HydrophobicContact CD1-CD1 3.87Å; I251-L278 HydrophobicContact CG2-CD1 3.86Å; A274-L278 WeakPolarHBondContact O-CB 3.31Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.14Å; C275-L278 CarbonylContact O-C 3.57Å; C275-L278 PolarHBondContact O-N 3.05Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 HydrophobicContact CB-CD1 3.98Å; L278-I280 HydrophobicContact CB-CG1 4.17Å; L278-I280 PolarHBondContact O-N 2.88Å |
| 279 | C | 96 | Very high | 96.2 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 48% | 0.48 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 43.8 | -178.1 | -59.1 | 0 | 0 | 0 | 0 | 113 | C275 D276 Y277 | C275-C279 PolarHBondContact O-N 3.49Å; D276-C279 PolarHBondContact O-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.38Å |
| 280 | I | 96.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | trans | -101.4 | 139.8 | 175.5 | -61.4 | 171.2 | 0 | 0 | 0 | 108.7 | T214 I251 Y254 I260 C275 L278 F282 T286 | T214-I280 HydrophobicContact CG2-CG1 3.8Å; I251-I280 HydrophobicContact CG2-CD1 3.51Å; Y254-I280 HydrophobicContact CD1-CD1 4.22Å; Y254-I280 HydrophobicContact CD1-CG1 4.46Å; Y254-I280 HydrophobicContact CD1-CG2 4.2Å; Y254-I280 HydrophobicContact CD2-CG2 4.42Å; Y254-I280 HydrophobicContact CE1-CD1 4.48Å; Y254-I280 HydrophobicContact CE1-CG1 4.23Å; Y254-I280 HydrophobicContact CE1-CG2 3.84Å; Y254-I280 HydrophobicContact CE2-CG2 4.09Å; Y254-I280 HydrophobicContact CG-CG2 4.48Å; I260-I280 HydrophobicContact CD1-CG2 4.12Å; C275-I280 HydrophobicContact CB-CB 4.25Å; C275-I280 PolarHBondContact O-N 3.11Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 HydrophobicContact CB-CD1 3.98Å; L278-I280 HydrophobicContact CB-CG1 4.17Å; L278-I280 PolarHBondContact O-N 2.88Å; I280-F282 PolarHBondContact O-N 3.35Å; I280-T286 HydrophobicContact CG2-CG2 4.09Å | ||
| 281 | S | 94.8 | Very high | 96 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | trans | -71 | 118.4 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | D283 T286 | S281-D283 VanDerWaalsContact CB-OD2 3.29Å; S281-D283 WeakPolarHBondContact CB-OD2 3.45Å; S281-D283 PolarHBondContact O-N 3Å; S281-D283 PolarHBondContact OG-OD2 3.05Å; S281-T286 VanDerWaalsContact O-CB 3.31Å; S281-T286 WeakPolarHBondContact O-CB 3.5Å; S281-T286 VanDerWaalsContact O-CG2 3.3Å; S281-T286 WeakPolarHBondContact O-CG2 3.31Å; S281-T286 PolarHBondContact O-OG1 2.72Å; S281-T286 PolarHBondContact OG-OG1 2.64Å | ||
| 282 | F | 96.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | trans | -85.2 | 90.9 | 175 | -166 | -86.6 | 0 | 0 | 0 | 110.1 | I268 R272 C275 I280 I287 L295 E298 L299 | I268-F282 HydrophobicContact CG2-CE2 4.41Å; I268-F282 HydrophobicContact CG2-CZ 3.66Å; R272-F282 HydrophobicContact CB-CD2 4.06Å; R272-F282 HydrophobicContact CB-CE2 3.81Å; R272-F282 HydrophobicContact CB-CZ 4.17Å; R272-F282 VanDerWaalsContact CD-CG 3.4Å; R272-F282 HydrophobicContact CG-CD2 4.46Å; C275-F282 HydrophobicContact CB-CB 4.44Å; C275-F282 HydrophobicContact CB-CD2 4.11Å; I280-F282 PolarHBondContact O-N 3.35Å; F282-I287 HydrophobicContact CD2-CD1 3.78Å; F282-I287 HydrophobicContact CD2-CG1 3.79Å; F282-I287 HydrophobicContact CE2-CD1 3.91Å; F282-I287 HydrophobicContact CE2-CG1 3.83Å; F282-I287 HydrophobicContact CE2-CG2 4.46Å; F282-I287 HydrophobicContact CG-CG1 4.19Å; F282-I287 HydrophobicContact CZ-CG1 4.23Å; F282-I287 HydrophobicContact CZ-CG2 4.49Å; F282-L295 HydrophobicContact CE1-CD1 3.69Å; F282-L295 HydrophobicContact CZ-CD1 3.82Å; F282-E298 HydrophobicContact CD1-CB 4.46Å; F282-E298 HydrophobicContact CE1-CB 3.64Å; F282-E298 HydrophobicContact CE1-CG 4.2Å; F282-E298 HydrophobicContact CZ-CB 4.21Å; F282-E298 HydrophobicContact CZ-CG 4.27Å; F282-L299 HydrophobicContact CD1-CD2 4.26Å; F282-L299 HydrophobicContact CE1-CD2 4.44Å | ||
| 283 | D | 94.5 | Very high | 95.8 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -144.4 | 166.5 | -175.7 | 69.7 | 75.3 | 0 | 0 | 0 | 112.6 | S281 S285 T286 I287 | S281-D283 VanDerWaalsContact CB-OD2 3.29Å; S281-D283 WeakPolarHBondContact CB-OD2 3.45Å; S281-D283 PolarHBondContact O-N 3Å; S281-D283 PolarHBondContact OG-OD2 3.05Å; D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 VanDerWaalsContact OD1-CA 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.49Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.29Å; D283-S285 PolarHBondContact OD1-OG 2.93Å; D283-T286 PolarHBondContact O-N 2.79Å; D283-T286 PolarHBondContact OD1-N 2.86Å; D283-T286 PolarHBondContact OD2-OG1 2.78Å; D283-I287 WeakPolarHBondContact O-CB 3.36Å; D283-I287 WeakPolarHBondContact O-CG1 3.13Å; D283-I287 PolarHBondContact O-N 3.31Å |
| 284 | Y | 92.7 | Very high | 95.8 | Very high | 179 Ų | 179 | 60.2 Ų | 60.2 | 70% | 0.702 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.2 | -176.9 | 84.3 | -81.6 | 0 | 0 | 0 | 114.3 | K288 | Y284-K288 PolarHBondContact O-NZ 2.84Š|
| 285 | S | 94.5 | Very high | 95.7 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -46.7 | 177.3 | 79.8 | 0 | 0 | 0 | 0 | 110.2 | D283 K288 | D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 VanDerWaalsContact OD1-CA 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.49Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.29Å; D283-S285 PolarHBondContact OD1-OG 2.93Å; S285-K288 WeakPolarHBondContact O-CE 3.47Å; S285-K288 PolarHBondContact O-NZ 2.9Å |
| 286 | T | 95.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -47.1 | 177 | -60.9 | 0 | 0 | 0 | 0 | 113 | Y254 I259 I260 I280 S281 D283 | Y254-T286 HydrophobicContact CD2-CG2 3.68Å; Y254-T286 HydrophobicContact CE2-CG2 3.49Å; Y254-T286 VanDerWaalsContact CE2-CG2 3.49Å; I259-T286 CarbonylContact C-O 3.54Å; I259-T286 WeakPolarHBondContact CA-O 3.31Å; I260-T286 HydrophobicContact CD1-CG2 4.34Å; I260-T286 HydrophobicContact CG1-CG2 4.35Å; I260-T286 PolarHBondContact N-O 2.97Å; I280-T286 HydrophobicContact CG2-CG2 4.09Å; S281-T286 VanDerWaalsContact O-CB 3.31Å; S281-T286 WeakPolarHBondContact O-CB 3.5Å; S281-T286 VanDerWaalsContact O-CG2 3.3Å; S281-T286 WeakPolarHBondContact O-CG2 3.31Å; S281-T286 PolarHBondContact O-OG1 2.72Å; S281-T286 PolarHBondContact OG-OG1 2.64Å; D283-T286 PolarHBondContact O-N 2.79Å; D283-T286 PolarHBondContact OD1-N 2.86Å; D283-T286 PolarHBondContact OD2-OG1 2.78Å |
| 287 | I | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.9 | -172.2 | -51.7 | -62.9 | 0 | 0 | 0 | 111.2 | I260 L271 F282 D283 L295 | I260-I287 HydrophobicContact CB-CD1 4.19Å; I260-I287 HydrophobicContact CD1-CD1 3.93Å; I260-I287 HydrophobicContact CG1-CD1 4.48Å; L271-I287 HydrophobicContact CD2-CD1 4.38Å; L271-I287 HydrophobicContact CD2-CG2 4.32Å; F282-I287 HydrophobicContact CD2-CD1 3.78Å; F282-I287 HydrophobicContact CD2-CG1 3.79Å; F282-I287 HydrophobicContact CE2-CD1 3.91Å; F282-I287 HydrophobicContact CE2-CG1 3.83Å; F282-I287 HydrophobicContact CE2-CG2 4.46Å; F282-I287 HydrophobicContact CG-CG1 4.19Å; F282-I287 HydrophobicContact CZ-CG1 4.23Å; F282-I287 HydrophobicContact CZ-CG2 4.49Å; D283-I287 WeakPolarHBondContact O-CB 3.36Å; D283-I287 WeakPolarHBondContact O-CG1 3.13Å; D283-I287 PolarHBondContact O-N 3.31Å; I287-L295 HydrophobicContact CB-CD1 4.24Å; I287-L295 HydrophobicContact CG2-CD1 3.98Å |
| 288 | K | 95.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 61 Ų | 61 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126 | 166.2 | -49.7 | -63.3 | 161.9 | -159.5 | 0 | 110 | I259 I260 R261 C262 Y284 S285 | I259-K288 HydrophobicContact CG2-CB 4.46Å; I259-K288 HydrophobicContact CG2-CG 3.55Å; I260-K288 PolarHBondContact O-N 3.34Å; R261-K288 CarbonylContact C-O 3.59Å; R261-K288 WeakPolarHBondContact CA-O 3.46Å; C262-K288 PolarHBondContact N-O 3.07Å; Y284-K288 PolarHBondContact O-NZ 2.84Å; S285-K288 WeakPolarHBondContact O-CE 3.47Å; S285-K288 PolarHBondContact O-NZ 2.9Å |
| 289 | C | 95.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | trans | -131 | 173.5 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | C262 I268 D291 | C262-C289 HydrophobicContact CB-CB 4.03Å; I268-C289 HydrophobicContact CD1-CB 3.59Å; C289-D291 VanDerWaalsContact SG-C 3.56Å; C289-D291 PolarHBondContact SG-O 2.8Å | ||
| 290 | R | 94.8 | Very high | 95.9 | Very high | 201 Ų | 201 | 62.3 Ų | 62.3 | 76% | 0.758 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -89.7 | -38.3 | 163.9 | -63.6 | -173.7 | -172.1 | 152.8 | 17.7 | 112 | D264 L292 | D264-R290 VanDerWaalsContact CG-NH2 3.26Å; D264-R290 IonicContact OD1-CZ 2.7Å; D264-R290 IonicContact OD1-NE 3.19Å; D264-R290 PolarHBondContact OD1-NE 3.29Å; D264-R290 IonicContact OD1-NH1 3.1Å; D264-R290 PolarHBondContact OD1-NH1 3.09Å; D264-R290 IonicContact OD1-NH2 3.43Å; D264-R290 PolarHBondContact OD1-NH2 3.45Å; D264-R290 IonicContact OD2-CZ 2.76Å; D264-R290 IonicContact OD2-NH1 3Å; D264-R290 PolarHBondContact OD2-NH1 2.91Å; D264-R290 IonicContact OD2-NH2 2.86Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å; R290-L292 PolarHBondContact O-N 3.34Å |
| 291 | D | 95.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | trans | -82.2 | 91.6 | 175.4 | -169 | -15.8 | 0 | 0 | 0 | 111.1 | C289 S293 A294 L295 | C289-D291 VanDerWaalsContact SG-C 3.56Å; C289-D291 PolarHBondContact SG-O 2.8Å; D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 WeakPolarHBondContact OD1-CA 3.48Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.2Å; D291-S293 PolarHBondContact OD1-N 2.99Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact OD1-N 3.25Å; D291-L295 PolarHBondContact O-N 3.14Å | ||
| 292 | L | 95.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.4 | -24 | 173.3 | -177.6 | 60.2 | 0 | 0 | 0 | 112.3 | R290 L295 M296 | R290-L292 PolarHBondContact O-N 3.34Å; L292-L295 HydrophobicContact CD1-CD2 4.48Å; L292-M296 HydrophobicContact CD1-CG 4.01Å; L292-M296 HydrophobicContact CG-CG 4.19Å; L292-M296 VanDerWaalsContact O-CB 3.29Å; L292-M296 WeakPolarHBondContact O-CB 3.26Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.07Å |
| 293 | S | 96.3 | Very high | 96.1 | Very high | 95 Ų | 95 | 62.1 Ų | 62.1 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.3 | -45.5 | 180 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | D291 M296 H297 | D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 WeakPolarHBondContact OD1-CA 3.48Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.2Å; D291-S293 PolarHBondContact OD1-N 2.99Å; S293-M296 PolarHBondContact O-N 2.81Å; S293-H297 PolarHBondContact O-N 2.84Å |
| 294 | A | 96.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I268 D291 M296 H297 E298 | I268-A294 HydrophobicContact CB-CB 3.85Å; I268-A294 HydrophobicContact CG1-CB 3.52Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact OD1-N 3.25Å; A294-M296 PolarHBondContact O-N 3.32Å; A294-H297 WeakPolarHBondContact O-CB 3.39Å; A294-H297 PolarHBondContact O-N 3.05Å; A294-E298 PolarHBondContact O-N 3.34Å |
| 295 | L | 96.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.1 | 178.1 | 61.5 | 0 | 0 | 0 | 112.4 | F282 I287 D291 L292 H297 E298 L299 | F282-L295 HydrophobicContact CE1-CD1 3.69Å; F282-L295 HydrophobicContact CZ-CD1 3.82Å; I287-L295 HydrophobicContact CB-CD1 4.24Å; I287-L295 HydrophobicContact CG2-CD1 3.98Å; D291-L295 PolarHBondContact O-N 3.14Å; L292-L295 HydrophobicContact CD1-CD2 4.48Å; L295-H297 VanDerWaalsContact C-N 3.3Å; L295-H297 PolarHBondContact O-N 2.91Å; L295-E298 PolarHBondContact O-N 2.96Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CG 4.17Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 2.9Å; L295-L299 VanDerWaalsContact O-N 3.12Å |
| 296 | M | 97.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 61 Ų | 61 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70 | -25.8 | 176.4 | -74.7 | -54.6 | -45.5 | 0 | 0 | 112.9 | L292 S293 A294 L299 S300 | L292-M296 HydrophobicContact CD1-CG 4.01Å; L292-M296 HydrophobicContact CG-CG 4.19Å; L292-M296 VanDerWaalsContact O-CB 3.29Å; L292-M296 WeakPolarHBondContact O-CB 3.26Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.07Å; S293-M296 PolarHBondContact O-N 2.81Å; A294-M296 PolarHBondContact O-N 3.32Å; M296-L299 HydrophobicContact SD-CD1 4.48Å; M296-S300 WeakPolarHBondContact O-CB 3.47Å; M296-S300 PolarHBondContact O-N 3.21Å; M296-S300 PolarHBondContact O-OG 2.72Å |
| 297 | H | 96.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -54.2 | 171.7 | -178 | 80 | 0 | 0 | 0 | 110.7 | S293 A294 L295 L299 S300 N301 E373 | S293-H297 PolarHBondContact O-N 2.84Å; A294-H297 WeakPolarHBondContact O-CB 3.39Å; A294-H297 PolarHBondContact O-N 3.05Å; L295-H297 VanDerWaalsContact C-N 3.3Å; L295-H297 PolarHBondContact O-N 2.91Å; H297-L299 PolarHBondContact O-N 2.75Å; H297-S300 CarbonylContact O-C 3.47Å; H297-S300 WeakPolarHBondContact O-CA 3.41Å; H297-S300 WeakPolarHBondContact O-CB 3.48Å; H297-S300 PolarHBondContact O-N 3.45Å; H297-N301 PolarHBondContact CD2-ND2 2.89Å; H297-N301 PolarHBondContact NE2-ND2 2.79Å; H297-N301 VanDerWaalsContact O-CG 3.32Å; H297-N301 PolarHBondContact O-N 3.07Å; H297-E373 IonicContact CE1-OE2 3.92Å |
| 298 | E | 97.4 | Very high | 97 | Very high | 25 Ų | 25 | 65.1 Ų | 65.1 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.4 | -49 | 177.5 | -64.1 | -45.6 | 126.9 | 0 | 0 | 112.7 | I268 F282 A294 L295 S300 N301 D302 | I268-E298 HydrophobicContact CG2-CG 3.95Å; F282-E298 HydrophobicContact CD1-CB 4.46Å; F282-E298 HydrophobicContact CE1-CB 3.64Å; F282-E298 HydrophobicContact CE1-CG 4.2Å; F282-E298 HydrophobicContact CZ-CB 4.21Å; F282-E298 HydrophobicContact CZ-CG 4.27Å; A294-E298 PolarHBondContact O-N 3.34Å; L295-E298 PolarHBondContact O-N 2.96Å; E298-S300 PolarHBondContact O-N 3.49Å; E298-N301 WeakPolarHBondContact O-CB 3.36Å; E298-N301 PolarHBondContact O-N 3.08Å; E298-N301 VanDerWaalsContact O-N 3.08Å; E298-D302 PolarHBondContact O-N 2.89Å; E298-D302 VanDerWaalsContact O-N 3.07Å |
| 299 | L | 97.2 | Very high | 97.1 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -28 | 178.5 | -64.5 | 174.8 | 0 | 0 | 0 | 112.6 | F282 L295 M296 H297 G303 | F282-L299 HydrophobicContact CD1-CD2 4.26Å; F282-L299 HydrophobicContact CE1-CD2 4.44Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CG 4.17Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 2.9Å; L295-L299 VanDerWaalsContact O-N 3.12Å; M296-L299 HydrophobicContact SD-CD1 4.48Å; H297-L299 PolarHBondContact O-N 2.75Å; L299-G303 PolarHBondContact O-N 3.3Å; L299-G303 VanDerWaalsContact O-N 3.1Å |
| 300 | S | 97.7 | Very high | 97.2 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.8 | -35.5 | 172.2 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | M296 H297 E298 G303 A304 | M296-S300 WeakPolarHBondContact O-CB 3.47Å; M296-S300 PolarHBondContact O-N 3.21Å; M296-S300 PolarHBondContact O-OG 2.72Å; H297-S300 CarbonylContact O-C 3.47Å; H297-S300 WeakPolarHBondContact O-CA 3.41Å; H297-S300 WeakPolarHBondContact O-CB 3.48Å; H297-S300 PolarHBondContact O-N 3.45Å; E298-S300 PolarHBondContact O-N 3.49Å; S300-G303 CarbonylContact O-C 3.57Å; S300-G303 PolarHBondContact O-N 3.04Å; S300-A304 VanDerWaalsContact O-CB 3.26Å; S300-A304 WeakPolarHBondContact O-CB 3.47Å; S300-A304 PolarHBondContact O-N 3.18Å |
| 301 | N | 97.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.7 | -66.6 | -21.1 | 0 | 0 | 0 | 110.9 | H297 E298 G303 A304 R305 V377 | H297-N301 PolarHBondContact CD2-ND2 2.89Å; H297-N301 PolarHBondContact NE2-ND2 2.79Å; H297-N301 VanDerWaalsContact O-CG 3.32Å; H297-N301 PolarHBondContact O-N 3.07Å; E298-N301 WeakPolarHBondContact O-CB 3.36Å; E298-N301 PolarHBondContact O-N 3.08Å; E298-N301 VanDerWaalsContact O-N 3.08Å; N301-G303 VanDerWaalsContact C-N 3.32Å; N301-G303 PolarHBondContact O-N 3.1Å; N301-A304 PolarHBondContact O-N 3.43Å; N301-R305 WeakPolarHBondContact O-CB 3.2Å; N301-R305 PolarHBondContact O-N 3.45Å; N301-V377 HydrophobicContact CB-CG2 4.23Å |
| 302 | D | 97.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 55.4 Ų | 55.4 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 171.3 | -67.8 | -46.7 | 0 | 0 | 0 | 112.6 | R272 E298 R306 | R272-D302 IonicContact CZ-OD1 2.68Å; R272-D302 IonicContact CZ-OD2 2.68Å; R272-D302 IonicContact NH1-OD1 2.74Å; R272-D302 PolarHBondContact NH1-OD1 3.14Å; R272-D302 IonicContact NH1-OD2 3.43Å; R272-D302 PolarHBondContact NH1-OD2 3.35Å; R272-D302 IonicContact NH2-OD1 3.26Å; R272-D302 PolarHBondContact NH2-OD1 3.09Å; R272-D302 IonicContact NH2-OD2 2.72Å; R272-D302 PolarHBondContact NH2-OD2 3.25Å; E298-D302 PolarHBondContact O-N 2.89Å; E298-D302 VanDerWaalsContact O-N 3.07Å; D302-R306 WeakPolarHBondContact O-CG 3.01Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 PolarHBondContact O-NE 3.29Å |
| 303 | G | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L299 S300 N301 Q307 | L299-G303 PolarHBondContact O-N 3.3Å; L299-G303 VanDerWaalsContact O-N 3.1Å; S300-G303 CarbonylContact O-C 3.57Å; S300-G303 PolarHBondContact O-N 3.04Å; N301-G303 VanDerWaalsContact C-N 3.32Å; N301-G303 PolarHBondContact O-N 3.1Å; G303-Q307 WeakPolarHBondContact O-CB 3.42Å; G303-Q307 WeakPolarHBondContact O-CG 3.16Å; G303-Q307 PolarHBondContact O-N 3.39Å; G303-Q307 VanDerWaalsContact O-N 3.07Å |
| 304 | A | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -40.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S300 N301 Q307 F308 F368 N374 V377 | S300-A304 VanDerWaalsContact O-CB 3.26Å; S300-A304 WeakPolarHBondContact O-CB 3.47Å; S300-A304 PolarHBondContact O-N 3.18Å; N301-A304 PolarHBondContact O-N 3.43Å; A304-Q307 PolarHBondContact O-N 3.16Å; A304-F308 WeakPolarHBondContact O-CB 3.2Å; A304-F308 PolarHBondContact O-N 3.05Å; A304-F368 HydrophobicContact CB-CE2 3.93Å; A304-F368 HydrophobicContact CB-CZ 4.28Å; A304-F368 WeakPolarHBondContact O-CE2 3.32Å; A304-N374 WeakPolarHBondContact CB-OD1 3.47Å; A304-V377 HydrophobicContact CB-CB 4.47Å; A304-V377 HydrophobicContact CB-CG1 4.2Å |
| 305 | R | 98.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.8 | -56.3 | 173.1 | 176 | 175 | -78.4 | -88.5 | 6.8 | 110.8 | N301 Q307 F308 D309 V377 V381 E384 | N301-R305 WeakPolarHBondContact O-CB 3.2Å; N301-R305 PolarHBondContact O-N 3.45Å; R305-Q307 VanDerWaalsContact C-N 3.34Å; R305-Q307 PolarHBondContact O-N 3.15Å; R305-F308 PolarHBondContact O-N 2.86Å; R305-D309 PolarHBondContact O-N 3.35Å; R305-V377 HydrophobicContact CB-CG1 3.86Å; R305-V381 HydrophobicContact CG-CG2 4.01Å; R305-E384 IonicContact CZ-OE1 3.33Å; R305-E384 IonicContact CZ-OE2 2.72Å; R305-E384 IonicContact NH1-OE1 2.97Å; R305-E384 IonicContact NH1-OE2 2.72Å; R305-E384 PolarHBondContact NH1-OE2 2.57Å; R305-E384 IonicContact NH2-OE1 3.52Å; R305-E384 PolarHBondContact NH2-OE1 3.02Å; R305-E384 IonicContact NH2-OE2 2.74Å; R305-E384 PolarHBondContact NH2-OE2 3.29Å |
| 306 | R | 98.1 | Very high | 97.9 | Very high | 172 Ų | 172 | 55.6 Ų | 55.6 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.7 | -37.5 | 179.6 | -72.7 | 174.8 | -70.9 | 171.4 | -4.6 | 113.7 | D302 F310 | D302-R306 WeakPolarHBondContact O-CG 3.01Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 PolarHBondContact O-NE 3.29Å; R306-F310 PolarHBondContact O-N 3.4Å |
| 307 | Q | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 173 | -77.8 | 177.9 | 55.5 | 0 | 0 | 111.9 | G303 A304 R305 F310 Y311 F368 | G303-Q307 WeakPolarHBondContact O-CB 3.42Å; G303-Q307 WeakPolarHBondContact O-CG 3.16Å; G303-Q307 PolarHBondContact O-N 3.39Å; G303-Q307 VanDerWaalsContact O-N 3.07Å; A304-Q307 PolarHBondContact O-N 3.16Å; R305-Q307 VanDerWaalsContact C-N 3.34Å; R305-Q307 PolarHBondContact O-N 3.15Å; Q307-F310 PolarHBondContact O-N 2.84Å; Q307-Y311 HydrophobicContact CB-CE2 4.13Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 3.19Å; Q307-F368 HydrophobicContact CB-CD2 4.3Å; Q307-F368 HydrophobicContact CB-CE2 4.15Å |
| 308 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.5 | -37.3 | -179.8 | -174.2 | -105.6 | 0 | 0 | 0 | 113.1 | A304 R305 F310 Y311 L312 F368 F369 A378 V381 L382 | A304-F308 WeakPolarHBondContact O-CB 3.2Å; A304-F308 PolarHBondContact O-N 3.05Å; R305-F308 PolarHBondContact O-N 2.86Å; F308-F310 VanDerWaalsContact C-N 3.31Å; F308-F310 PolarHBondContact O-N 3.32Å; F308-Y311 CarbonylContact O-C 3.57Å; F308-Y311 PolarHBondContact O-N 3.15Å; F308-L312 HydrophobicContact CE1-CB 4.18Å; F308-L312 HydrophobicContact CE1-CD2 4.13Å; F308-L312 HydrophobicContact CZ-CB 4.26Å; F308-L312 WeakPolarHBondContact O-CB 3.21Å; F308-L312 PolarHBondContact O-N 2.95Å; F308-F368 HydrophobicContact CB-CE1 4.07Å; F308-F368 HydrophobicContact CB-CE2 4.39Å; F308-F368 HydrophobicContact CB-CZ 3.68Å; F308-F368 AromaticContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CZ 4.33Å; F308-F368 HydrophobicContact CG-CE1 4.25Å; F308-F368 HydrophobicContact CG-CZ 4.33Å; F308-F369 HydrophobicContact CD2-CE1 4.3Å; F308-F369 HydrophobicContact CD2-CZ 4.16Å; F308-F369 HydrophobicContact CE2-CE1 4.13Å; F308-F369 AromaticContact CE2-CZ 3.7Å; F308-F369 HydrophobicContact CE2-CZ 3.7Å; F308-A378 HydrophobicContact CB-CB 4.42Å; F308-A378 HydrophobicContact CD1-CB 3.66Å; F308-A378 HydrophobicContact CD2-CB 3.67Å; F308-A378 HydrophobicContact CE1-CB 3.8Å; F308-A378 HydrophobicContact CE2-CB 3.84Å; F308-A378 HydrophobicContact CG-CB 3.59Å; F308-A378 HydrophobicContact CZ-CB 3.89Å; F308-V381 HydrophobicContact CD1-CB 3.75Å; F308-V381 HydrophobicContact CD1-CG1 3.83Å; F308-V381 HydrophobicContact CD1-CG2 4.11Å; F308-V381 HydrophobicContact CE1-CB 4.03Å; F308-V381 HydrophobicContact CE1-CG1 4.02Å; F308-L382 HydrophobicContact CE1-CD1 4.42Å; F308-L382 HydrophobicContact CE1-CD2 4.07Å; F308-L382 HydrophobicContact CE1-CG 3.85Å; F308-L382 HydrophobicContact CZ-CD1 4.14Å; F308-L382 HydrophobicContact CZ-CD2 4.01Å; F308-L382 HydrophobicContact CZ-CG 3.97Å |
| 309 | D | 98.4 | Very high | 97.9 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.6 | -47.6 | 170.8 | -82.6 | -64.4 | 0 | 0 | 0 | 110.4 | R305 Y311 L312 E313 R385 | R305-D309 PolarHBondContact O-N 3.35Å; D309-Y311 PolarHBondContact O-N 3.01Å; D309-L312 PolarHBondContact O-N 3.34Å; D309-E313 WeakPolarHBondContact O-CG 3.38Å; D309-E313 PolarHBondContact O-N 3.27Å; D309-E313 VanDerWaalsContact O-N 3.08Å; D309-R385 IonicContact OD1-CZ 2.89Å; D309-R385 IonicContact OD1-NE 3.21Å; D309-R385 IonicContact OD1-NH2 2.86Å; D309-R385 PolarHBondContact OD1-NH2 2.96Å |
| 310 | F | 98.4 | Very high | 97.9 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 53% | 0.531 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 174.4 | 176.5 | -97.8 | 0 | 0 | 0 | 112.7 | R306 Q307 F308 L312 E314 | R306-F310 PolarHBondContact O-N 3.4Å; Q307-F310 PolarHBondContact O-N 2.84Å; F308-F310 VanDerWaalsContact C-N 3.31Å; F308-F310 PolarHBondContact O-N 3.32Å; F310-L312 VanDerWaalsContact C-N 3.29Å; F310-L312 PolarHBondContact O-N 2.97Å; F310-E314 HydrophobicContact CD2-CG 3.95Å; F310-E314 HydrophobicContact CE1-CG 4.31Å; F310-E314 HydrophobicContact CE2-CG 3.63Å; F310-E314 HydrophobicContact CG-CG 4.42Å; F310-E314 HydrophobicContact CZ-CG 3.82Å; F310-E314 WeakPolarHBondContact O-CB 3.45Å; F310-E314 VanDerWaalsContact O-CG 3.3Å; F310-E314 WeakPolarHBondContact O-CG 3.43Å; F310-E314 PolarHBondContact O-N 3.29Å; F310-E314 VanDerWaalsContact O-N 3.08Å |
| 311 | Y | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -28.9 | 177.8 | -63 | -32 | 0 | 0 | 0 | 113.6 | Q307 F308 D309 M315 V316 L365 F368 | Q307-Y311 HydrophobicContact CB-CE2 4.13Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 3.19Å; F308-Y311 CarbonylContact O-C 3.57Å; F308-Y311 PolarHBondContact O-N 3.15Å; D309-Y311 PolarHBondContact O-N 3.01Å; Y311-M315 HydrophobicContact CD1-CE 3.26Å; Y311-M315 HydrophobicContact CE1-CE 4.06Å; Y311-M315 HydrophobicContact CG-CE 3.63Å; Y311-M315 PolarHBondContact O-N 3.14Å; Y311-M315 VanDerWaalsContact O-N 3.14Å; Y311-V316 PolarHBondContact O-N 2.89Å; Y311-L365 HydrophobicContact CD2-CD1 3.61Å; Y311-L365 HydrophobicContact CE2-CD1 4.34Å; Y311-L365 HydrophobicContact CG-CD1 3.86Å; Y311-F368 HydrophobicContact CD2-CB 4.42Å; Y311-F368 HydrophobicContact CD2-CD1 4.46Å; Y311-F368 HydrophobicContact CD2-CD2 4.41Å; Y311-F368 HydrophobicContact CD2-CG 4.17Å; Y311-F368 HydrophobicContact CE2-CB 3.84Å; Y311-F368 AromaticContact CE2-CD2 3.97Å; Y311-F368 HydrophobicContact CE2-CD2 3.97Å; Y311-F368 AromaticContact CE2-CG 3.88Å; Y311-F368 HydrophobicContact CE2-CG 3.88Å |
| 312 | L | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -68.8 | -53.7 | 177 | 176.2 | 56.3 | 0 | 0 | 0 | 110.2 | F308 D309 F310 V316 L317 V381 L382 R385 | F308-L312 HydrophobicContact CE1-CB 4.18Å; F308-L312 HydrophobicContact CE1-CD2 4.13Å; F308-L312 HydrophobicContact CZ-CB 4.26Å; F308-L312 WeakPolarHBondContact O-CB 3.21Å; F308-L312 PolarHBondContact O-N 2.95Å; D309-L312 PolarHBondContact O-N 3.34Å; F310-L312 VanDerWaalsContact C-N 3.29Å; F310-L312 PolarHBondContact O-N 2.97Å; L312-V316 HydrophobicContact CD1-CB 3.98Å; L312-V316 HydrophobicContact CD1-CG1 4.1Å; L312-V316 PolarHBondContact O-N 3.26Å; L312-L317 WeakPolarHBondContact O-CB 3.4Å; L312-L317 PolarHBondContact O-N 3.4Å; L312-V381 HydrophobicContact CD2-CG1 4.03Å; L312-L382 HydrophobicContact CD1-CD2 3.87Å; L312-L382 HydrophobicContact CD2-CD2 4.21Å; L312-R385 HydrophobicContact CD2-CG 4.02Å |
| 313 | E | 97.9 | Very high | 97.7 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -64 | -43.9 | 179.3 | -54.5 | -63.2 | 168.4 | 0 | 0 | 112.1 | D309 L317 R385 | D309-E313 WeakPolarHBondContact O-CG 3.38Å; D309-E313 PolarHBondContact O-N 3.27Å; D309-E313 VanDerWaalsContact O-N 3.08Å; E313-L317 VanDerWaalsContact OE2-CD2 3.27Å; E313-L317 WeakPolarHBondContact OE2-CD2 3.37Å; E313-R385 IonicContact OE1-CZ 2.94Å; E313-R385 IonicContact OE1-NH1 3.81Å; E313-R385 PolarHBondContact OE1-NH1 3.42Å; E313-R385 IonicContact OE1-NH2 3.76Å; E313-R385 PolarHBondContact OE1-NH2 3.43Å |
| 314 | E | 97.9 | Very high | 97.6 | Very high | 125 Ų | 125 | 53.4 Ų | 53.4 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | I | π-helix | trans | -84.3 | -30.8 | -169.6 | -65.8 | -76.5 | 132.7 | 0 | 0 | 114.8 | F310 | F310-E314 HydrophobicContact CD2-CG 3.95Å; F310-E314 HydrophobicContact CE1-CG 4.31Å; F310-E314 HydrophobicContact CE2-CG 3.63Å; F310-E314 HydrophobicContact CG-CG 4.42Å; F310-E314 HydrophobicContact CZ-CG 3.82Å; F310-E314 WeakPolarHBondContact O-CB 3.45Å; F310-E314 VanDerWaalsContact O-CG 3.3Å; F310-E314 WeakPolarHBondContact O-CG 3.43Å; F310-E314 PolarHBondContact O-N 3.29Å; F310-E314 VanDerWaalsContact O-N 3.08Å |
| 315 | M | 97.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -124.5 | -35.3 | -172.7 | -64.2 | -179.3 | -68 | 0 | 0 | 114.6 | Y311 I360 L365 | Y311-M315 HydrophobicContact CD1-CE 3.26Å; Y311-M315 HydrophobicContact CE1-CE 4.06Å; Y311-M315 HydrophobicContact CG-CE 3.63Å; Y311-M315 PolarHBondContact O-N 3.14Å; Y311-M315 VanDerWaalsContact O-N 3.14Å; M315-I360 HydrophobicContact CB-CD1 4.02Å; M315-I360 HydrophobicContact CB-CG2 4.47Å; M315-I360 HydrophobicContact SD-CG2 4.1Å; M315-L365 HydrophobicContact CE-CB 4.09Å; M315-L365 HydrophobicContact CE-CD1 4.31Å; M315-L365 HydrophobicContact CE-CD2 4.05Å; M315-L365 HydrophobicContact CE-CG 4.38Å |
| 316 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -90.5 | -42.4 | -175 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | Y311 L312 L319 M320 I360 I424 M426 | Y311-V316 PolarHBondContact O-N 2.89Å; L312-V316 HydrophobicContact CD1-CB 3.98Å; L312-V316 HydrophobicContact CD1-CG1 4.1Å; L312-V316 PolarHBondContact O-N 3.26Å; V316-L319 PolarHBondContact O-N 3.17Å; V316-M320 HydrophobicContact CG1-CG 4.36Å; V316-M320 HydrophobicContact CG1-SD 3.95Å; V316-M320 WeakPolarHBondContact O-CG 3.43Å; V316-M320 PolarHBondContact O-N 3.25Å; V316-I360 HydrophobicContact CG2-CD1 3.89Å; V316-I424 HydrophobicContact CG1-CD1 4.34Å; V316-I424 HydrophobicContact CG2-CD1 3.88Å; V316-M426 HydrophobicContact CG1-CE 3.65Å; V316-M426 HydrophobicContact CG1-SD 4.28Å |
| 317 | L | 97.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | -179.6 | -178.8 | 62.4 | 0 | 0 | 0 | 113.4 | L312 E313 L319 M320 V321 | L312-L317 WeakPolarHBondContact O-CB 3.4Å; L312-L317 PolarHBondContact O-N 3.4Å; E313-L317 VanDerWaalsContact OE2-CD2 3.27Å; E313-L317 WeakPolarHBondContact OE2-CD2 3.37Å; L317-L319 VanDerWaalsContact C-N 3.27Å; L317-L319 PolarHBondContact O-N 3.32Å; L317-M320 PolarHBondContact O-N 3.27Å; L317-V321 HydrophobicContact CD1-CG2 4Å; L317-V321 HydrophobicContact CG-CG2 4.22Å; L317-V321 WeakPolarHBondContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.3Å; L317-V321 PolarHBondContact O-N 3.14Å |
| 318 | P | 97.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 56 Ų | 56 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 176.7 | -25.8 | 36.3 | 0 | 0 | 0 | 112.9 | V321 A322 | P318-V321 PolarHBondContact O-N 2.86Å; P318-A322 PolarHBondContact O-N 3.41Å |
| 319 | L | 96.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.3 | -60.2 | -175.7 | 0 | 0 | 0 | 111.6 | V316 L317 A322 S323 V333 Q358 I360 | V316-L319 PolarHBondContact O-N 3.17Å; L317-L319 VanDerWaalsContact C-N 3.27Å; L317-L319 PolarHBondContact O-N 3.32Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-S323 PolarHBondContact O-N 2.84Å; L319-V333 HydrophobicContact CD1-CG1 4.06Å; L319-V333 HydrophobicContact CD1-CG2 4.43Å; L319-Q358 VanDerWaalsContact CB-OE1 3.31Å; L319-Q358 HydrophobicContact CD1-CB 4.2Å; L319-Q358 PolarHBondContact O-NE2 3.09Å; L319-I360 HydrophobicContact CD1-CD1 3.99Å; L319-I360 HydrophobicContact CD1-CG1 3.47Å; L319-I360 VanDerWaalsContact CD1-CG1 3.47Å |
| 320 | M | 96.2 | Very high | 96.4 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 173.9 | -68.1 | 173.3 | 57.5 | 0 | 0 | 112.5 | V316 L317 S323 A324 C331 L387 M426 W428 | V316-M320 HydrophobicContact CG1-CG 4.36Å; V316-M320 HydrophobicContact CG1-SD 3.95Å; V316-M320 WeakPolarHBondContact O-CG 3.43Å; V316-M320 PolarHBondContact O-N 3.25Å; L317-M320 PolarHBondContact O-N 3.27Å; M320-S323 WeakPolarHBondContact O-CB 3.41Å; M320-S323 PolarHBondContact O-N 3.49Å; M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 2.78Å; M320-C331 HydrophobicContact CG-CB 4.2Å; M320-L387 HydrophobicContact CE-CD1 3.81Å; M320-L387 HydrophobicContact CE-CD2 3.72Å; M320-L387 HydrophobicContact CE-CG 4.43Å; M320-M426 HydrophobicContact CE-CG 4.46Å; M320-M426 HydrophobicContact CG-CE 3.86Å; M320-M426 HydrophobicContact SD-CE 3.83Å; M320-M426 HydrophobicContact SD-CG 4.38Å; M320-M426 HydrophobicContact SD-SD 3.82Å; M320-W428 HydrophobicContact CB-CH2 4.43Å; M320-W428 HydrophobicContact CB-CZ3 4.11Å; M320-W428 HydrophobicContact CE-CE3 3.88Å; M320-W428 HydrophobicContact CE-CZ3 4.06Å; M320-W428 HydrophobicContact CG-CZ3 4.07Å |
| 321 | V | 97.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.3 | 169 | 0 | 0 | 0 | 0 | 110.7 | L317 P318 A324 Q325 | L317-V321 HydrophobicContact CD1-CG2 4Å; L317-V321 HydrophobicContact CG-CG2 4.22Å; L317-V321 WeakPolarHBondContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.3Å; L317-V321 PolarHBondContact O-N 3.14Å; P318-V321 PolarHBondContact O-N 2.86Å; V321-A324 PolarHBondContact O-N 3.08Å; V321-Q325 HydrophobicContact CG1-CG 4.42Å; V321-Q325 WeakPolarHBondContact O-CB 3.49Å; V321-Q325 VanDerWaalsContact O-CG 3.27Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 2.76Å |
| 322 | A | 96.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | P318 L319 A324 Q325 N326 | P318-A322 PolarHBondContact O-N 3.41Å; L319-A322 PolarHBondContact O-N 3.23Å; A322-A324 PolarHBondContact O-N 3.08Å; A322-Q325 PolarHBondContact O-N 2.68Å; A322-N326 VanDerWaalsContact O-CG 3.27Å; A322-N326 PolarHBondContact O-N 3.21Å; A322-N326 PolarHBondContact O-ND2 2.99Å |
| 323 | S | 94.9 | Very high | 96 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -48.9 | 171.5 | -87.3 | 0 | 0 | 0 | 0 | 112.2 | L319 M320 Q325 N326 G327 E328 Q358 | L319-S323 PolarHBondContact O-N 2.84Å; M320-S323 WeakPolarHBondContact O-CB 3.41Å; M320-S323 PolarHBondContact O-N 3.49Å; S323-Q325 PolarHBondContact O-N 3.26Å; S323-N326 CarbonylContact O-C 3.2Å; S323-N326 PolarHBondContact O-N 2.75Å; S323-G327 PolarHBondContact O-N 2.68Å; S323-E328 WeakPolarHBondContact CA-OE2 3.33Å; S323-E328 WeakPolarHBondContact CB-OE2 3.19Å; S323-E328 VanDerWaalsContact O-CB 3.31Å; S323-E328 WeakPolarHBondContact O-CB 3.34Å; S323-E328 PolarHBondContact O-N 3.4Å; S323-E328 PolarHBondContact OG-OE2 3.12Å; S323-Q358 PolarHBondContact OG-NE2 3.36Å |
| 324 | A | 95.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 54 Ų | 54 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M320 V321 A322 G327 W428 | M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 2.78Å; V321-A324 PolarHBondContact O-N 3.08Å; A322-A324 PolarHBondContact O-N 3.08Å; A324-G327 PolarHBondContact O-N 3.26Å; A324-G327 VanDerWaalsContact O-N 3.13Å; A324-W428 HydrophobicContact CB-CZ2 3.94Å |
| 325 | Q | 96.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 48 Ų | 48 | 73% | 0.729 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.3 | -36.2 | 173.8 | -73.8 | 173.5 | -1.4 | 0 | 0 | 112.2 | V321 A322 S323 G327 | V321-Q325 HydrophobicContact CG1-CG 4.42Å; V321-Q325 WeakPolarHBondContact O-CB 3.49Å; V321-Q325 VanDerWaalsContact O-CG 3.27Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 2.76Å; A322-Q325 PolarHBondContact O-N 2.68Å; S323-Q325 PolarHBondContact O-N 3.26Å; Q325-G327 PolarHBondContact O-N 2.88Å |
| 326 | N | 94.6 | Very high | 95.8 | Very high | 130 Ų | 130 | 46 Ų | 46 | 70% | 0.695 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -3.9 | 171.9 | -67.6 | -20.7 | 0 | 0 | 0 | 113.6 | A322 S323 | A322-N326 VanDerWaalsContact O-CG 3.27Å; A322-N326 PolarHBondContact O-N 3.21Å; A322-N326 PolarHBondContact O-ND2 2.99Å; S323-N326 CarbonylContact O-C 3.2Å; S323-N326 PolarHBondContact O-N 2.75Å |
| 327 | G | 93.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S323 A324 Q325 R329 | S323-G327 PolarHBondContact O-N 2.68Å; A324-G327 PolarHBondContact O-N 3.26Å; A324-G327 VanDerWaalsContact O-N 3.13Å; Q325-G327 PolarHBondContact O-N 2.88Å; G327-R329 VanDerWaalsContact C-NH1 3.33Å; G327-R329 PolarHBondContact O-NH1 2.94Å |
| 328 | E | 93.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | trans | -71.7 | 161.7 | -179.5 | -57 | 176.8 | 167.3 | 0 | 0 | 112.1 | S323 W428 | S323-E328 WeakPolarHBondContact CA-OE2 3.33Å; S323-E328 WeakPolarHBondContact CB-OE2 3.19Å; S323-E328 VanDerWaalsContact O-CB 3.31Å; S323-E328 WeakPolarHBondContact O-CB 3.34Å; S323-E328 PolarHBondContact O-N 3.4Å; S323-E328 PolarHBondContact OG-OE2 3.12Å; E328-W428 PolarHBondContact O-NE1 2.98Å; E328-W428 VanDerWaalsContact O-NE1 3.16Å | ||
| 329 | R | 93.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 52 Ų | 52 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -126.4 | -0.2 | -179 | -59.4 | -64.3 | 175.7 | -101.1 | -1 | 113.5 | G327 S427 W428 E429 | G327-R329 VanDerWaalsContact C-NH1 3.33Å; G327-R329 PolarHBondContact O-NH1 2.94Å; R329-S427 WeakPolarHBondContact O-CA 3.38Å; R329-S427 WeakPolarHBondContact O-CB 3.3Å; R329-S427 PolarHBondContact O-OG 2.76Å; R329-W428 PolarHBondContact O-N 3.04Å; R329-W428 VanDerWaalsContact O-N 3.09Å; R329-E429 HydrophobicContact CB-CB 4Å; R329-E429 HydrophobicContact CB-CG 4.34Å; R329-E429 PolarHBondContact O-N 3.45Å |
| 330 | E | 93.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.2 | 167 | 62.9 | 179.2 | 156.2 | 0 | 0 | 109.9 | R425 M426 | E330-R425 IonicContact OE1-CZ 2.59Å; E330-R425 IonicContact OE1-NH2 3.83Å; E330-R425 PolarHBondContact OE1-NH2 3.06Å; E330-R425 IonicContact OE2-CZ 3.69Å; E330-R425 IonicContact OE2-NE 3.09Å; E330-R425 PolarHBondContact OE2-NE 2.83Å; E330-R425 IonicContact OE2-NH2 3.99Å; E330-R425 PolarHBondContact OE2-NH2 3.38Å; E330-M426 CarbonylContact C-O 3.59Å; E330-M426 VanDerWaalsContact CA-O 3.26Å; E330-M426 WeakPolarHBondContact CA-O 3.22Å; E330-M426 VanDerWaalsContact CB-O 3.31Å; E330-M426 WeakPolarHBondContact CB-O 3.43Å |
| 331 | C | 94.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.7 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 108 | M320 V333 Q358 R425 M426 W428 | M320-C331 HydrophobicContact CG-CB 4.2Å; C331-V333 WeakPolarHBondContact SG-CG2 3.23Å; C331-Q358 PolarHBondContact SG-NE2 3.32Å; C331-Q358 VanDerWaalsContact SG-NE2 3.44Å; C331-R425 WeakPolarHBondContact O-CA 3.4Å; C331-M426 HydrophobicContact CB-CE 4.05Å; C331-M426 PolarHBondContact N-O 3.34Å; C331-M426 PolarHBondContact O-N 3.31Å; C331-M426 VanDerWaalsContact O-N 3.09Å; C331-W428 HydrophobicContact CB-CH2 3.67Å; C331-W428 HydrophobicContact CB-CZ3 3.55Å |
| 332 | H | 95.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.6 | 168.1 | -174.5 | -162.4 | 0 | 0 | 0 | 108.1 | E355 S357 Q358 F423 I424 | H332-E355 IonicContact ND1-OE2 3.48Å; H332-S357 PolarHBondContact ND1-OG 3.14Å; H332-S357 CarbonylContact O-C 3.53Å; H332-S357 WeakPolarHBondContact O-CA 3.49Å; H332-Q358 PolarHBondContact O-N 2.9Å; H332-F423 AromaticContact NE2-CD2 3.51Å; H332-F423 AromaticContact NE2-CG 3.83Å; H332-I424 WeakPolarHBondContact CA-O 3.42Å |
| 333 | V | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.3 | -178.4 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | L319 C331 Q358 I360 F423 I424 M426 | L319-V333 HydrophobicContact CD1-CG1 4.06Å; L319-V333 HydrophobicContact CD1-CG2 4.43Å; C331-V333 WeakPolarHBondContact SG-CG2 3.23Å; V333-Q358 CarbonylContact C-O 3.55Å; V333-Q358 WeakPolarHBondContact CA-O 3.47Å; V333-I360 HydrophobicContact CG1-CB 4.48Å; V333-I360 HydrophobicContact CG1-CD1 3.56Å; V333-I360 HydrophobicContact CG1-CG1 3.7Å; V333-F423 CarbonylContact O-C 3.58Å; V333-F423 WeakPolarHBondContact O-CA 3.43Å; V333-I424 HydrophobicContact CB-CB 4.41Å; V333-I424 PolarHBondContact N-O 2.99Å; V333-I424 PolarHBondContact O-N 2.87Å; V333-M426 HydrophobicContact CG2-CE 3.83Å |
| 334 | V | 96.1 | Very high | 94 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.5 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | L336 Q358 I359 I360 Y397 R421 F423 | V334-L336 HydrophobicContact CG1-CD2 4.01Å; V334-Q358 PolarHBondContact N-O 3.03Å; V334-I359 WeakPolarHBondContact O-CA 3.3Å; V334-I360 PolarHBondContact O-N 2.91Å; V334-Y397 HydrophobicContact CB-CD2 4.09Å; V334-Y397 HydrophobicContact CB-CE2 4.03Å; V334-Y397 HydrophobicContact CG1-CD2 3.67Å; V334-Y397 HydrophobicContact CG1-CE2 4.02Å; V334-Y397 HydrophobicContact CG1-CG 3.95Å; V334-Y397 HydrophobicContact CG2-CD2 3.78Å; V334-Y397 HydrophobicContact CG2-CE2 3.8Å; V334-R421 HydrophobicContact CG1-CB 4.04Å; V334-F423 HydrophobicContact CG2-CB 4.35Å |
| 335 | V | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.2 | -179.1 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | I360 L365 F369 R421 P422 | V335-I360 CarbonylContact C-O 3.59Å; V335-I360 WeakPolarHBondContact CA-O 3.43Å; V335-L365 HydrophobicContact CB-CD2 4.46Å; V335-L365 HydrophobicContact CG1-CB 3.79Å; V335-L365 HydrophobicContact CG1-CD2 3.9Å; V335-L365 HydrophobicContact CG1-CG 3.81Å; V335-L365 HydrophobicContact CG2-CD2 3.65Å; V335-L365 HydrophobicContact CG2-CG 4.05Å; V335-F369 HydrophobicContact CG2-CD2 4.18Å; V335-F369 HydrophobicContact CG2-CE2 4.1Å; V335-R421 WeakPolarHBondContact O-CD 3.31Å; V335-P422 HydrophobicContact CB-CB 4.24Å; V335-P422 PolarHBondContact N-O 3.48Å |
| 336 | L | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 157 | 172.5 | -58.2 | -174 | 0 | 0 | 0 | 110.8 | V334 D340 V342 I359 I360 Y361 S362 Y397 R421 | V334-L336 HydrophobicContact CG1-CD2 4.01Å; L336-D340 HydrophobicContact CB-CB 4.07Å; L336-D340 HydrophobicContact CD1-CB 4.44Å; L336-V342 HydrophobicContact CD1-CG2 3.52Å; L336-I359 HydrophobicContact CD1-CG2 3.62Å; L336-I359 HydrophobicContact CG-CG2 3.89Å; L336-I360 PolarHBondContact N-O 3.35Å; L336-Y361 HydrophobicContact CB-CD1 3.84Å; L336-Y361 HydrophobicContact CB-CE1 3.97Å; L336-Y361 HydrophobicContact CB-CG 4.48Å; L336-Y361 HydrophobicContact CD1-CD1 4.33Å; L336-Y361 HydrophobicContact CD1-CE1 3.62Å; L336-Y361 HydrophobicContact CG-CE1 4.42Å; L336-S362 CarbonylContact O-C 3.59Å; L336-S362 PolarHBondContact O-N 3.18Å; L336-Y397 HydrophobicContact CD1-CE1 4.34Å; L336-Y397 HydrophobicContact CD2-CD1 4.03Å; L336-Y397 HydrophobicContact CD2-CE1 4.4Å; L336-R421 HydrophobicContact CD2-CB 4.29Å; L336-R421 HydrophobicContact CD2-CG 3.68Å |
| 337 | T | 97 | Very high | 92.4 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | trans | -80 | 159.7 | 167.2 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | D339 D340 T363 Y366 | T337-D339 PolarHBondContact O-N 2.99Å; T337-D340 WeakPolarHBondContact CB-OD2 3.36Å; T337-D340 PolarHBondContact N-OD2 2.98Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.68Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 VanDerWaalsContact OG1-CG 3.23Å; T337-D340 PolarHBondContact OG1-OD2 2.72Å; T337-T363 HydrophobicContact CG2-CG2 4.33Å; T337-Y366 HydrophobicContact CG2-CD1 3.55Å; T337-Y366 HydrophobicContact CG2-CD2 3.83Å; T337-Y366 HydrophobicContact CG2-CE1 4.09Å; T337-Y366 HydrophobicContact CG2-CE2 4.34Å; T337-Y366 HydrophobicContact CG2-CG 3.43Å; T337-Y366 VanDerWaalsContact CG2-CG 3.43Å | ||
| 338 | D | 96.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 65.4 Ų | 65.4 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.6 | -176.9 | -44.7 | -51.4 | 0 | 0 | 0 | 112.1 | S362 T363 | D338-S362 WeakPolarHBondContact OD1-CA 3.27Å; D338-S362 PolarHBondContact OD1-N 2.82Å; D338-T363 PolarHBondContact N-OG1 3.12Å; D338-T363 PolarHBondContact OD1-N 3.01Å; D338-T363 VanDerWaalsContact OD1-N 3.16Å; D338-T363 WeakPolarHBondContact OD2-CB 3.21Å; D338-T363 PolarHBondContact OD2-N 3.09Å; D338-T363 PolarHBondContact OD2-OG1 2.74Å |
| 339 | D | 94.7 | Very high | 91.4 | Very high | 144 Ų | 144 | 65.8 Ų | 65.8 | 77% | 0.77 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.5 | 176.7 | -52 | -64 | 0 | 0 | 0 | 113.5 | T337 | T337-D339 PolarHBondContact O-N 2.99Š|
| 340 | D | 93.8 | Very high | 90.8 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | trans | -77.7 | 133.3 | -178.7 | -81.6 | -59.7 | 0 | 0 | 0 | 112.5 | L336 T337 R421 | L336-D340 HydrophobicContact CB-CB 4.07Å; L336-D340 HydrophobicContact CD1-CB 4.44Å; T337-D340 WeakPolarHBondContact CB-OD2 3.36Å; T337-D340 PolarHBondContact N-OD2 2.98Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.68Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 VanDerWaalsContact OG1-CG 3.23Å; T337-D340 PolarHBondContact OG1-OD2 2.72Å; D340-R421 IonicContact OD1-CZ 3.34Å; D340-R421 IonicContact OD1-NE 3.52Å; D340-R421 PolarHBondContact OD1-NE 3.2Å; D340-R421 IonicContact OD1-NH2 3.8Å; D340-R421 PolarHBondContact OD1-NH2 2.98Å; D340-R421 IonicContact OD2-CZ 2.8Å; D340-R421 VanDerWaalsContact OD2-CZ 3.24Å; D340-R421 IonicContact OD2-NE 3.09Å; D340-R421 PolarHBondContact OD2-NE 2.94Å; D340-R421 IonicContact OD2-NH2 3.85Å; D340-R421 PolarHBondContact OD2-NH2 2.67Å | ||
| 341 | V | 89.4 | Confident | 89.9 | Confident | 109 Ų | 109 | 66.6 Ų | 66.6 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | trans | -109.5 | 127.5 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 342 | V | 90 | Very high | 88.6 | Confident | 39 Ų | 39 | 69 Ų | 69 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | trans | -112.4 | 118.1 | 174 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | L336 W344 Y397 | L336-V342 HydrophobicContact CD1-CG2 3.52Å; V342-W344 HydrophobicContact CG1-CD2 4.2Å; V342-W344 HydrophobicContact CG1-CG 4.12Å; V342-W344 HydrophobicContact CG1-CZ2 4.31Å; V342-Y397 HydrophobicContact CG1-CE1 4.34Å; V342-Y397 HydrophobicContact CG2-CE1 4.08Å | ||
| 343 | D | 87.7 | Confident | 87 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -132.1 | 83.3 | -175 | -177.4 | 26.3 | 0 | 0 | 0 | 108.5 | T399 Y400 | D343-T399 CarbonylContact C-O 3.57Å; D343-T399 PolarHBondContact N-O 3.01Å; D343-Y400 WeakPolarHBondContact O-CA 3.44Å |
| 344 | W | 87.6 | Confident | 85 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | trans | -87.2 | 128.4 | -178.4 | -69.7 | -3.5 | 0 | 0 | 0 | 110.7 | V342 P350 M352 Y397 P398 | V342-W344 HydrophobicContact CG1-CD2 4.2Å; V342-W344 HydrophobicContact CG1-CG 4.12Å; V342-W344 HydrophobicContact CG1-CZ2 4.31Å; W344-P350 HydrophobicContact CD2-CG 3.6Å; W344-P350 HydrophobicContact CE3-CG 4.16Å; W344-P350 HydrophobicContact CG-CG 3.82Å; W344-P350 HydrophobicContact CZ2-CG 4.07Å; W344-M352 HydrophobicContact CH2-CE 4.1Å; W344-M352 HydrophobicContact CH2-CG 3.76Å; W344-M352 HydrophobicContact CH2-SD 3.82Å; W344-M352 HydrophobicContact CZ2-CE 4.32Å; W344-M352 HydrophobicContact CZ2-CG 4.24Å; W344-M352 HydrophobicContact CZ2-SD 3.78Å; W344-M352 HydrophobicContact CZ3-CG 4.27Å; W344-Y397 HydrophobicContact CZ2-CE1 4.04Å; W344-Y397 HydrophobicContact CZ2-CE2 4.43Å; W344-Y397 AromaticContact CZ2-CZ 3.7Å; W344-Y397 VanDerWaalsContact CZ2-OH 3.31Å; W344-Y397 WeakPolarHBondContact CZ2-OH 3.43Å; W344-P398 HydrophobicContact CZ2-CG 4.28Å; W344-P398 PolarHBondContact NE1-O 3.24Å | ||
| 345 | D | 84.8 | Confident | 83.2 | Confident | 46 Ų | 46 | 83 Ų | 83 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | trans | -79 | 124.4 | -174.8 | 176.1 | -98.9 | 0 | 0 | 0 | 111.8 | E347 Y348 P349 K401 Y416 | D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.9Å; D345-E347 PolarHBondContact OD1-N 3.28Å; D345-Y348 CarbonylContact O-C 3.59Å; D345-Y348 PolarHBondContact O-N 3.32Å; D345-Y348 WeakPolarHBondContact OD1-CD2 3.28Å; D345-Y348 PolarHBondContact OD1-N 2.79Å; D345-P349 WeakPolarHBondContact O-CA 3.37Å; D345-P349 WeakPolarHBondContact O-CD 3.36Å; D345-K401 HydrophobicContact CB-CB 4.19Å; D345-K401 HydrophobicContact CB-CD 3.36Å; D345-K401 HydrophobicContact CB-CG 4.44Å; D345-K401 IonicContact OD1-NZ 3.04Å; D345-K401 PolarHBondContact OD1-NZ 2.61Å; D345-K401 WeakPolarHBondContact OD2-CD 3.33Å; D345-K401 IonicContact OD2-NZ 2.75Å; D345-K401 PolarHBondContact OD2-NZ 3.15Å; D345-Y416 PolarHBondContact N-OH 3.43Å | ||
| 346 | E | 84 | Confident | 82 | Confident | 196 Ų | 196 | 93.2 Ų | 93.2 | 92% | 0.916 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -62.3 | -32.5 | -174 | -61.2 | -175.6 | 167.8 | 0 | 0 | 114.1 | ||
| 347 | E | 85.3 | Confident | 81.4 | Confident | 138 Ų | 138 | 94.4 Ų | 94.4 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -77.9 | -30.1 | -179.9 | -164.4 | -165.4 | 154.8 | 0 | 0 | 111.8 | D345 | D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.9Å; D345-E347 PolarHBondContact OD1-N 3.28Å |
| 348 | Y | 82.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 22% | 0.22 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -140.1 | 66.4 | -178.6 | -54 | -90.7 | 0 | 0 | 0 | 112.4 | D345 P412 V414 Y416 | D345-Y348 CarbonylContact O-C 3.59Å; D345-Y348 PolarHBondContact O-N 3.32Å; D345-Y348 WeakPolarHBondContact OD1-CD2 3.28Å; D345-Y348 PolarHBondContact OD1-N 2.79Å; Y348-P412 HydrophobicContact CE1-CB 4.26Å; Y348-P412 HydrophobicContact CE1-CG 4.27Å; Y348-V414 HydrophobicContact CD1-CG2 3.61Å; Y348-V414 HydrophobicContact CD2-CG2 4.48Å; Y348-V414 HydrophobicContact CE1-CG2 4.36Å; Y348-V414 HydrophobicContact CG-CG2 3.7Å; Y348-Y416 WeakPolarHBondContact O-CE2 3.39Å; Y348-Y416 PolarHBondContact O-OH 2.62Å |
| 349 | P | 82.7 | Confident | 81.1 | Confident | 82 Ų | 82 | 94 Ų | 94 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | trans | -59 | 152.6 | 178.7 | 24 | -34.4 | 0 | 0 | 0 | 111.3 | D345 | D345-P349 WeakPolarHBondContact O-CA 3.37Å; D345-P349 WeakPolarHBondContact O-CD 3.36Å | ||
| 350 | P | 82.1 | Confident | 81.2 | Confident | 14 Ų | 14 | 87.8 Ų | 87.8 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | trans | -63.9 | 148.4 | -179.7 | 27.5 | -33 | 0 | 0 | 0 | 110.7 | W344 M352 P398 Y416 | W344-P350 HydrophobicContact CD2-CG 3.6Å; W344-P350 HydrophobicContact CE3-CG 4.16Å; W344-P350 HydrophobicContact CG-CG 3.82Å; W344-P350 HydrophobicContact CZ2-CG 4.07Å; P350-M352 HydrophobicContact CG-CG 4.33Å; P350-M352 HydrophobicContact CG-SD 4.45Å; P350-M352 PolarHBondContact O-N 3.06Å; P350-P398 HydrophobicContact CB-CB 3.83Å; P350-P398 HydrophobicContact CB-CG 3.74Å; P350-P398 HydrophobicContact CG-CB 4.24Å; P350-P398 HydrophobicContact CG-CG 3.93Å; P350-Y416 HydrophobicContact CB-CD1 4.36Å; P350-Y416 HydrophobicContact CB-CD2 4.04Å; P350-Y416 HydrophobicContact CB-CE1 4.25Å; P350-Y416 HydrophobicContact CB-CE2 3.91Å; P350-Y416 HydrophobicContact CB-CG 4.28Å; P350-Y416 WeakPolarHBondContact CD-OH 3.49Å; P350-Y416 HydrophobicContact CG-CE1 4.32Å | ||
| 351 | Q | 75.3 | Confident | 81.4 | Confident | 194 Ų | 194 | 92.1 Ų | 92.1 | 91% | 0.907 | 46% | 0.458 | S | S | * | . | trans | -75.4 | 72.5 | 171.1 | -68.4 | -179.6 | 0.8 | 0 | 0 | 109.8 | ||||
| 352 | M | 67.5 | Low | 81.8 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | trans | -54.9 | 146.6 | 155 | -57.4 | -56.3 | -71 | 0 | 0 | 108.1 | W344 P350 Y397 P398 | W344-M352 HydrophobicContact CH2-CE 4.1Å; W344-M352 HydrophobicContact CH2-CG 3.76Å; W344-M352 HydrophobicContact CH2-SD 3.82Å; W344-M352 HydrophobicContact CZ2-CE 4.32Å; W344-M352 HydrophobicContact CZ2-CG 4.24Å; W344-M352 HydrophobicContact CZ2-SD 3.78Å; W344-M352 HydrophobicContact CZ3-CG 4.27Å; P350-M352 HydrophobicContact CG-CG 4.33Å; P350-M352 HydrophobicContact CG-SD 4.45Å; P350-M352 PolarHBondContact O-N 3.06Å; M352-Y397 HydrophobicContact CE-CD2 4.3Å; M352-Y397 HydrophobicContact CE-CE2 3.66Å; M352-P398 HydrophobicContact SD-CG 3.59Å; M352-P398 VanDerWaalsContact SD-CG 3.59Å | ||
| 353 | G | 61 | Low | 82.2 | Confident | 64 Ų | 64 | 86.3 Ų | 86.3 | 66% | 0.66 | 42% | 0.424 | S | S | * | . | trans | -67.1 | -171.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E355 | G353-E355 PolarHBondContact O-N 3.27Š| ||
| 354 | E | 52.7 | Low | 82.7 | Confident | 206 Ų | 206 | 88.3 Ų | 88.3 | 96% | 0.963 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -64.5 | 1.2 | 176.6 | -57.9 | -178.8 | 154.5 | 0 | 0 | 113.7 | ||
| 355 | E | 60.2 | Low | 83.1 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -111.9 | 105.9 | -174.3 | -70.9 | 158.7 | -141.3 | 0 | 0 | 110.7 | H332 G353 S357 R425 | H332-E355 IonicContact ND1-OE2 3.48Å; G353-E355 PolarHBondContact O-N 3.27Å; E355-S357 PolarHBondContact O-N 2.92Å; E355-S357 VanDerWaalsContact O-N 3.13Å; E355-S357 PolarHBondContact O-OG 2.96Å; E355-R425 IonicContact OE1-CZ 2.72Å; E355-R425 IonicContact OE1-NH1 3.62Å; E355-R425 PolarHBondContact OE1-NH1 3.23Å; E355-R425 IonicContact OE1-NH2 2.79Å; E355-R425 PolarHBondContact OE1-NH2 3.44Å; E355-R425 IonicContact OE2-CZ 2.62Å; E355-R425 IonicContact OE2-NE 2.81Å; E355-R425 PolarHBondContact OE2-NE 2.94Å; E355-R425 IonicContact OE2-NH1 3.88Å; E355-R425 PolarHBondContact OE2-NH1 3.48Å; E355-R425 IonicContact OE2-NH2 3.09Å |
| 356 | Y | 71.9 | Confident | 83.8 | Confident | 214 Ų | 214 | 84.8 Ų | 84.8 | 84% | 0.839 | 41% | 0.411 | S | S | * | . | trans | -56.8 | 118.5 | 168.5 | -78.1 | -84.1 | 0 | 0 | 0 | 109.6 | ||||
| 357 | S | 84.5 | Confident | 84.4 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.2 | -174.6 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | H332 E355 | H332-S357 PolarHBondContact ND1-OG 3.14Å; H332-S357 CarbonylContact O-C 3.53Å; H332-S357 WeakPolarHBondContact O-CA 3.49Å; E355-S357 PolarHBondContact O-N 2.92Å; E355-S357 VanDerWaalsContact O-N 3.13Å; E355-S357 PolarHBondContact O-OG 2.96Å |
| 358 | Q | 91.4 | Very high | 85 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 156.5 | 171.4 | -60.2 | -161.9 | 60 | 0 | 0 | 110.6 | L319 S323 C331 H332 V333 V334 | L319-Q358 VanDerWaalsContact CB-OE1 3.31Å; L319-Q358 HydrophobicContact CD1-CB 4.2Å; L319-Q358 PolarHBondContact O-NE2 3.09Å; S323-Q358 PolarHBondContact OG-NE2 3.36Å; C331-Q358 PolarHBondContact SG-NE2 3.32Å; C331-Q358 VanDerWaalsContact SG-NE2 3.44Å; H332-Q358 PolarHBondContact O-N 2.9Å; V333-Q358 CarbonylContact C-O 3.55Å; V333-Q358 WeakPolarHBondContact CA-O 3.47Å; V334-Q358 PolarHBondContact N-O 3.03Å |
| 359 | I | 94.2 | Very high | 85.8 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 30% | 0.303 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.7 | -171.1 | -54.3 | 176.1 | 0 | 0 | 0 | 110.4 | V334 L336 Y361 Y397 | V334-I359 WeakPolarHBondContact O-CA 3.3Å; L336-I359 HydrophobicContact CD1-CG2 3.62Å; L336-I359 HydrophobicContact CG-CG2 3.89Å; I359-Y361 HydrophobicContact CB-CE2 4.45Å; I359-Y361 HydrophobicContact CG2-CD2 3.91Å; I359-Y361 HydrophobicContact CG2-CE2 3.52Å; I359-Y397 VanDerWaalsContact CD1-OH 3.28Å; I359-Y397 WeakPolarHBondContact CD1-OH 3.18Å |
| 360 | I | 97.1 | Very high | 86.4 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.9 | 164.1 | -63.2 | 171.4 | 0 | 0 | 0 | 108.1 | M315 V316 L319 V333 V334 V335 L336 L365 | M315-I360 HydrophobicContact CB-CD1 4.02Å; M315-I360 HydrophobicContact CB-CG2 4.47Å; M315-I360 HydrophobicContact SD-CG2 4.1Å; V316-I360 HydrophobicContact CG2-CD1 3.89Å; L319-I360 HydrophobicContact CD1-CD1 3.99Å; L319-I360 HydrophobicContact CD1-CG1 3.47Å; L319-I360 VanDerWaalsContact CD1-CG1 3.47Å; V333-I360 HydrophobicContact CG1-CB 4.48Å; V333-I360 HydrophobicContact CG1-CD1 3.56Å; V333-I360 HydrophobicContact CG1-CG1 3.7Å; V334-I360 PolarHBondContact O-N 2.91Å; V335-I360 CarbonylContact C-O 3.59Å; V335-I360 WeakPolarHBondContact CA-O 3.43Å; L336-I360 PolarHBondContact N-O 3.35Å; I360-L365 HydrophobicContact CB-CD2 4.49Å; I360-L365 HydrophobicContact CD1-CD2 3.8Å; I360-L365 HydrophobicContact CG2-CD2 4.02Å |
| 361 | Y | 97.3 | Very high | 87.2 | Confident | 115 Ų | 115 | 83.2 Ų | 83.2 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110.2 | 163.1 | -66.5 | -91.6 | 0 | 0 | 0 | 108.1 | L336 I359 | L336-Y361 HydrophobicContact CB-CD1 3.84Å; L336-Y361 HydrophobicContact CB-CE1 3.97Å; L336-Y361 HydrophobicContact CB-CG 4.48Å; L336-Y361 HydrophobicContact CD1-CD1 4.33Å; L336-Y361 HydrophobicContact CD1-CE1 3.62Å; L336-Y361 HydrophobicContact CG-CE1 4.42Å; I359-Y361 HydrophobicContact CB-CE2 4.45Å; I359-Y361 HydrophobicContact CG2-CD2 3.91Å; I359-Y361 HydrophobicContact CG2-CE2 3.52Å |
| 362 | S | 97.9 | Very high | 88.2 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -163.8 | 102 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 111 | L336 D338 K364 L365 Y366 | L336-S362 CarbonylContact O-C 3.59Å; L336-S362 PolarHBondContact O-N 3.18Å; D338-S362 WeakPolarHBondContact OD1-CA 3.27Å; D338-S362 PolarHBondContact OD1-N 2.82Å; S362-K364 PolarHBondContact O-N 3.2Å; S362-K364 VanDerWaalsContact O-N 3.15Å; S362-L365 PolarHBondContact O-N 3.2Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 PolarHBondContact OG-N 2.87Å; S362-L365 VanDerWaalsContact OG-N 3.15Å; S362-Y366 PolarHBondContact O-N 2.8Å | ||
| 363 | T | 98 | Very high | 89.7 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.8 | -25 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 112 | T337 D338 R367 | T337-T363 HydrophobicContact CG2-CG2 4.33Å; D338-T363 PolarHBondContact N-OG1 3.12Å; D338-T363 PolarHBondContact OD1-N 3.01Å; D338-T363 VanDerWaalsContact OD1-N 3.16Å; D338-T363 WeakPolarHBondContact OD2-CB 3.21Å; D338-T363 PolarHBondContact OD2-N 3.09Å; D338-T363 PolarHBondContact OD2-OG1 2.74Å; T363-R367 HydrophobicContact CG2-CG 4.43Å; T363-R367 WeakPolarHBondContact O-CB 3.3Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.83Å |
| 364 | K | 98.1 | Very high | 91.4 | Very high | 151 Ų | 151 | 78.3 Ų | 78.3 | 66% | 0.657 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67 | -49.9 | 174.1 | -64.3 | 178.1 | -175.6 | 171.8 | 0 | 111.3 | S362 R367 F368 | S362-K364 PolarHBondContact O-N 3.2Å; S362-K364 VanDerWaalsContact O-N 3.15Å; K364-R367 PolarHBondContact O-N 2.89Å; K364-F368 PolarHBondContact O-N 2.98Å |
| 365 | L | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | 178.5 | -170.8 | 61.4 | 0 | 0 | 0 | 111.7 | Y311 M315 V335 I360 S362 F368 F369 | Y311-L365 HydrophobicContact CD2-CD1 3.61Å; Y311-L365 HydrophobicContact CE2-CD1 4.34Å; Y311-L365 HydrophobicContact CG-CD1 3.86Å; M315-L365 HydrophobicContact CE-CB 4.09Å; M315-L365 HydrophobicContact CE-CD1 4.31Å; M315-L365 HydrophobicContact CE-CD2 4.05Å; M315-L365 HydrophobicContact CE-CG 4.38Å; V335-L365 HydrophobicContact CB-CD2 4.46Å; V335-L365 HydrophobicContact CG1-CB 3.79Å; V335-L365 HydrophobicContact CG1-CD2 3.9Å; V335-L365 HydrophobicContact CG1-CG 3.81Å; V335-L365 HydrophobicContact CG2-CD2 3.65Å; V335-L365 HydrophobicContact CG2-CG 4.05Å; I360-L365 HydrophobicContact CB-CD2 4.49Å; I360-L365 HydrophobicContact CD1-CD2 3.8Å; I360-L365 HydrophobicContact CG2-CD2 4.02Å; S362-L365 PolarHBondContact O-N 3.2Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 PolarHBondContact OG-N 2.87Å; S362-L365 VanDerWaalsContact OG-N 3.15Å; L365-F368 HydrophobicContact CD1-CD1 4.43Å; L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.96Å; L365-F369 HydrophobicContact CD1-CD2 3.98Å; L365-F369 HydrophobicContact CD1-CE2 3.48Å; L365-F369 VanDerWaalsContact CD1-CE2 3.48Å; L365-F369 HydrophobicContact CD1-CZ 4.08Å; L365-F369 HydrophobicContact CD2-CE2 4.13Å; L365-F369 HydrophobicContact CG-CD2 3.91Å; L365-F369 HydrophobicContact CG-CE2 3.64Å; L365-F369 WeakPolarHBondContact O-CD2 3.35Å; L365-F369 PolarHBondContact O-N 3.05Å |
| 366 | Y | 97.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 170.9 | 171.9 | -91.2 | 0 | 0 | 0 | 111.8 | T337 S362 F368 F369 K370 P422 | T337-Y366 HydrophobicContact CG2-CD1 3.55Å; T337-Y366 HydrophobicContact CG2-CD2 3.83Å; T337-Y366 HydrophobicContact CG2-CE1 4.09Å; T337-Y366 HydrophobicContact CG2-CE2 4.34Å; T337-Y366 HydrophobicContact CG2-CG 3.43Å; T337-Y366 VanDerWaalsContact CG2-CG 3.43Å; S362-Y366 PolarHBondContact O-N 2.8Å; Y366-F368 VanDerWaalsContact C-N 3.3Å; Y366-F368 PolarHBondContact O-N 3.31Å; Y366-F369 PolarHBondContact O-N 3.38Å; Y366-K370 PolarHBondContact O-N 2.93Å; Y366-K370 VanDerWaalsContact O-N 3.17Å; Y366-P422 VanDerWaalsContact CD2-CD 3.45Å; Y366-P422 HydrophobicContact CD2-CG 3.95Å; Y366-P422 HydrophobicContact CE2-CG 4.41Å |
| 367 | R | 97.7 | Very high | 96.7 | Very high | 170 Ų | 170 | 61.9 Ų | 61.9 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.9 | -33.1 | 177.6 | -74.7 | 173.7 | -171.3 | 173.7 | 9.3 | 112.4 | T363 K364 K370 | T363-R367 HydrophobicContact CG2-CG 4.43Å; T363-R367 WeakPolarHBondContact O-CB 3.3Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.83Å; K364-R367 PolarHBondContact O-N 2.89Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å |
| 368 | F | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -53.7 | 174 | 176.7 | -93.7 | 0 | 0 | 0 | 111.5 | A304 Q307 F308 Y311 K364 L365 Y366 K370 N374 A378 | A304-F368 HydrophobicContact CB-CE2 3.93Å; A304-F368 HydrophobicContact CB-CZ 4.28Å; A304-F368 WeakPolarHBondContact O-CE2 3.32Å; Q307-F368 HydrophobicContact CB-CD2 4.3Å; Q307-F368 HydrophobicContact CB-CE2 4.15Å; F308-F368 HydrophobicContact CB-CE1 4.07Å; F308-F368 HydrophobicContact CB-CE2 4.39Å; F308-F368 HydrophobicContact CB-CZ 3.68Å; F308-F368 AromaticContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CZ 4.33Å; F308-F368 HydrophobicContact CG-CE1 4.25Å; F308-F368 HydrophobicContact CG-CZ 4.33Å; Y311-F368 HydrophobicContact CD2-CB 4.42Å; Y311-F368 HydrophobicContact CD2-CD1 4.46Å; Y311-F368 HydrophobicContact CD2-CD2 4.41Å; Y311-F368 HydrophobicContact CD2-CG 4.17Å; Y311-F368 HydrophobicContact CE2-CB 3.84Å; Y311-F368 AromaticContact CE2-CD2 3.97Å; Y311-F368 HydrophobicContact CE2-CD2 3.97Å; Y311-F368 AromaticContact CE2-CG 3.88Å; Y311-F368 HydrophobicContact CE2-CG 3.88Å; K364-F368 PolarHBondContact O-N 2.98Å; L365-F368 HydrophobicContact CD1-CD1 4.43Å; L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.96Å; Y366-F368 VanDerWaalsContact C-N 3.3Å; Y366-F368 PolarHBondContact O-N 3.31Å; F368-K370 PolarHBondContact O-N 2.85Å; F368-N374 HydrophobicContact CD1-CB 4.39Å; F368-N374 HydrophobicContact CD2-CB 4.41Å; F368-N374 HydrophobicContact CE1-CB 3.96Å; F368-N374 HydrophobicContact CE2-CB 4Å; F368-N374 HydrophobicContact CZ-CB 3.73Å; F368-N374 VanDerWaalsContact O-CB 3.29Å; F368-N374 WeakPolarHBondContact O-CB 3.49Å; F368-N374 PolarHBondContact O-ND2 3.02Å; F368-A378 HydrophobicContact CE1-CB 4.21Å |
| 369 | F | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76 | -2.6 | -178.5 | -68.7 | -52.3 | 0 | 0 | 0 | 115.6 | F308 V335 L365 Y366 Y371 R375 A378 L392 P422 I424 | F308-F369 HydrophobicContact CD2-CE1 4.3Å; F308-F369 HydrophobicContact CD2-CZ 4.16Å; F308-F369 HydrophobicContact CE2-CE1 4.13Å; F308-F369 AromaticContact CE2-CZ 3.7Å; F308-F369 HydrophobicContact CE2-CZ 3.7Å; V335-F369 HydrophobicContact CG2-CD2 4.18Å; V335-F369 HydrophobicContact CG2-CE2 4.1Å; L365-F369 HydrophobicContact CD1-CD2 3.98Å; L365-F369 HydrophobicContact CD1-CE2 3.48Å; L365-F369 VanDerWaalsContact CD1-CE2 3.48Å; L365-F369 HydrophobicContact CD1-CZ 4.08Å; L365-F369 HydrophobicContact CD2-CE2 4.13Å; L365-F369 HydrophobicContact CG-CD2 3.91Å; L365-F369 HydrophobicContact CG-CE2 3.64Å; L365-F369 WeakPolarHBondContact O-CD2 3.35Å; L365-F369 PolarHBondContact O-N 3.05Å; Y366-F369 PolarHBondContact O-N 3.38Å; F369-Y371 PolarHBondContact O-N 3.5Å; F369-R375 HydrophobicContact CB-CG 4.28Å; F369-R375 HydrophobicContact CD1-CG 3.88Å; F369-A378 HydrophobicContact CE1-CB 3.87Å; F369-L392 HydrophobicContact CD1-CD2 4.24Å; F369-L392 HydrophobicContact CE1-CD2 3.5Å; F369-L392 HydrophobicContact CZ-CD2 3.93Å; F369-P422 HydrophobicContact CB-CB 3.58Å; F369-P422 HydrophobicContact CB-CG 3.74Å; F369-P422 HydrophobicContact CD2-CB 3.92Å; F369-P422 HydrophobicContact CG-CB 4.1Å; F369-I424 HydrophobicContact CE2-CD1 3.71Å; F369-I424 HydrophobicContact CE2-CG1 3.95Å; F369-I424 HydrophobicContact CZ-CD1 3.6Å; F369-I424 HydrophobicContact CZ-CG1 3.88Å |
| 370 | K | 96.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -32.5 | 171.4 | -175.6 | -175.6 | 174 | -173.6 | 0 | 112.4 | Y366 R367 F368 | Y366-K370 PolarHBondContact O-N 2.93Å; Y366-K370 VanDerWaalsContact O-N 3.17Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å; F368-K370 PolarHBondContact O-N 2.85Å |
| 371 | Y | 97.4 | Very high | 98 | Very high | 138 Ų | 138 | 60.3 Ų | 60.3 | 54% | 0.541 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -90.7 | 136.8 | -178.5 | -61 | -89.5 | 0 | 0 | 0 | 110.7 | F369 R375 | F369-Y371 PolarHBondContact O-N 3.5Å; Y371-R375 PolarHBondContact O-N 3.17Å |
| 372 | I | 97.1 | Very high | 98 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 179.9 | -175 | 162.3 | 0 | 0 | 0 | 111.7 | N374 R375 D376 | I372-N374 VanDerWaalsContact C-N 3.28Å; I372-N374 PolarHBondContact O-N 3.31Å; I372-R375 WeakPolarHBondContact O-CA 3.5Å; I372-R375 WeakPolarHBondContact O-CB 3.39Å; I372-R375 PolarHBondContact O-N 3.45Å; I372-D376 PolarHBondContact O-N 2.84Å; I372-D376 VanDerWaalsContact O-N 3.15Å |
| 373 | E | 97.9 | Very high | 98 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -51 | -46.2 | 176 | -44.3 | -50.3 | 140.6 | 0 | 0 | 111.9 | H297 R375 D376 V377 | H297-E373 IonicContact CE1-OE2 3.92Å; E373-R375 VanDerWaalsContact C-N 3.27Å; E373-R375 PolarHBondContact O-N 3Å; E373-D376 PolarHBondContact O-N 3.36Å; E373-D376 VanDerWaalsContact O-N 3.09Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.87Å |
| 374 | N | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -33.1 | 178 | -71 | 3.6 | 0 | 0 | 0 | 112.9 | A304 F368 I372 A378 | A304-N374 WeakPolarHBondContact CB-OD1 3.47Å; F368-N374 HydrophobicContact CD1-CB 4.39Å; F368-N374 HydrophobicContact CD2-CB 4.41Å; F368-N374 HydrophobicContact CE1-CB 3.96Å; F368-N374 HydrophobicContact CE2-CB 4Å; F368-N374 HydrophobicContact CZ-CB 3.73Å; F368-N374 VanDerWaalsContact O-CB 3.29Å; F368-N374 WeakPolarHBondContact O-CB 3.49Å; F368-N374 PolarHBondContact O-ND2 3.02Å; I372-N374 VanDerWaalsContact C-N 3.28Å; I372-N374 PolarHBondContact O-N 3.31Å; N374-A378 VanDerWaalsContact O-CB 3.22Å; N374-A378 WeakPolarHBondContact O-CB 3.37Å; N374-A378 PolarHBondContact O-N 3.44Å |
| 375 | R | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 18% | 0.181 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.4 | -37.9 | 175.1 | -64.2 | -178.4 | -55.5 | -162.5 | 4.1 | 111.4 | F369 Y371 I372 E373 A378 K379 L392 | F369-R375 HydrophobicContact CB-CG 4.28Å; F369-R375 HydrophobicContact CD1-CG 3.88Å; Y371-R375 PolarHBondContact O-N 3.17Å; I372-R375 WeakPolarHBondContact O-CA 3.5Å; I372-R375 WeakPolarHBondContact O-CB 3.39Å; I372-R375 PolarHBondContact O-N 3.45Å; E373-R375 VanDerWaalsContact C-N 3.27Å; E373-R375 PolarHBondContact O-N 3Å; R375-A378 PolarHBondContact O-N 2.84Å; R375-K379 VanDerWaalsContact O-CB 3.23Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 PolarHBondContact O-N 3.09Å; R375-L392 HydrophobicContact CB-CB 4.35Å |
| 376 | D | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.6 | -29.5 | 179.4 | -72.5 | -60.9 | 0 | 0 | 0 | 113 | I372 E373 K379 S380 | I372-D376 PolarHBondContact O-N 2.84Å; I372-D376 VanDerWaalsContact O-N 3.15Å; E373-D376 PolarHBondContact O-N 3.36Å; E373-D376 VanDerWaalsContact O-N 3.09Å; D376-K379 IonicContact OD1-NZ 2.71Å; D376-S380 PolarHBondContact O-N 2.82Å; D376-S380 VanDerWaalsContact O-N 3.09Å; D376-S380 PolarHBondContact O-OG 2.84Å |
| 377 | V | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -50.9 | 164.2 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | N301 A304 R305 E373 K379 S380 V381 | N301-V377 HydrophobicContact CB-CG2 4.23Å; A304-V377 HydrophobicContact CB-CB 4.47Å; A304-V377 HydrophobicContact CB-CG1 4.2Å; R305-V377 HydrophobicContact CB-CG1 3.86Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.87Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.87Å; V377-S380 WeakPolarHBondContact O-CA 3.46Å; V377-S380 WeakPolarHBondContact O-CB 3.48Å; V377-S380 PolarHBondContact O-N 3.04Å; V377-V381 PolarHBondContact O-N 2.89Å |
| 378 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F308 F368 F369 N374 R375 S380 V381 L382 L392 | F308-A378 HydrophobicContact CB-CB 4.42Å; F308-A378 HydrophobicContact CD1-CB 3.66Å; F308-A378 HydrophobicContact CD2-CB 3.67Å; F308-A378 HydrophobicContact CE1-CB 3.8Å; F308-A378 HydrophobicContact CE2-CB 3.84Å; F308-A378 HydrophobicContact CG-CB 3.59Å; F308-A378 HydrophobicContact CZ-CB 3.89Å; F368-A378 HydrophobicContact CE1-CB 4.21Å; F369-A378 HydrophobicContact CE1-CB 3.87Å; N374-A378 VanDerWaalsContact O-CB 3.22Å; N374-A378 WeakPolarHBondContact O-CB 3.37Å; N374-A378 PolarHBondContact O-N 3.44Å; R375-A378 PolarHBondContact O-N 2.84Å; A378-S380 PolarHBondContact O-N 2.81Å; A378-V381 PolarHBondContact O-N 2.8Å; A378-L382 VanDerWaalsContact O-CG 3.3Å; A378-L382 WeakPolarHBondContact O-CG 3.21Å; A378-L382 PolarHBondContact O-N 3.27Å; A378-L392 HydrophobicContact CB-CD2 4.13Å |
| 379 | K | 98.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 172.8 | -166.9 | 177.2 | -174.8 | 178.4 | 0 | 112.4 | R375 D376 V377 K383 I390 L392 | R375-K379 VanDerWaalsContact O-CB 3.23Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 PolarHBondContact O-N 3.09Å; D376-K379 IonicContact OD1-NZ 2.71Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.87Å; K379-K383 VanDerWaalsContact O-CG 3.3Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 2.85Å; K379-I390 HydrophobicContact CG-CG2 4.02Å; K379-L392 HydrophobicContact CB-CD1 3.74Å; K379-L392 HydrophobicContact CG-CD1 4.02Å |
| 380 | S | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.3 | -45.5 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | D376 V377 A378 L382 K383 E384 | D376-S380 PolarHBondContact O-N 2.82Å; D376-S380 VanDerWaalsContact O-N 3.09Å; D376-S380 PolarHBondContact O-OG 2.84Å; V377-S380 WeakPolarHBondContact O-CA 3.46Å; V377-S380 WeakPolarHBondContact O-CB 3.48Å; V377-S380 PolarHBondContact O-N 3.04Å; A378-S380 PolarHBondContact O-N 2.81Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 2.85Å; S380-K383 WeakPolarHBondContact O-CB 3.36Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.12Å; S380-E384 WeakPolarHBondContact O-CG 3.14Å; S380-E384 PolarHBondContact O-N 2.9Å |
| 381 | V | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.1 | -48.4 | 170.6 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | R305 F308 L312 V377 A378 K383 E384 R385 | R305-V381 HydrophobicContact CG-CG2 4.01Å; F308-V381 HydrophobicContact CD1-CB 3.75Å; F308-V381 HydrophobicContact CD1-CG1 3.83Å; F308-V381 HydrophobicContact CD1-CG2 4.11Å; F308-V381 HydrophobicContact CE1-CB 4.03Å; F308-V381 HydrophobicContact CE1-CG1 4.02Å; L312-V381 HydrophobicContact CD2-CG1 4.03Å; V377-V381 PolarHBondContact O-N 2.89Å; A378-V381 PolarHBondContact O-N 2.8Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.9Å; V381-E384 PolarHBondContact O-N 3.44Å; V381-E384 VanDerWaalsContact O-N 3.14Å; V381-R385 HydrophobicContact CG1-CG 4.33Å; V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 3.44Å |
| 382 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 178.9 | -68.8 | 169 | 0 | 0 | 0 | 112.7 | F308 L312 A378 S380 L387 I390 L392 I424 M426 | F308-L382 HydrophobicContact CE1-CD1 4.42Å; F308-L382 HydrophobicContact CE1-CD2 4.07Å; F308-L382 HydrophobicContact CE1-CG 3.85Å; F308-L382 HydrophobicContact CZ-CD1 4.14Å; F308-L382 HydrophobicContact CZ-CD2 4.01Å; F308-L382 HydrophobicContact CZ-CG 3.97Å; L312-L382 HydrophobicContact CD1-CD2 3.87Å; L312-L382 HydrophobicContact CD2-CD2 4.21Å; A378-L382 VanDerWaalsContact O-CG 3.3Å; A378-L382 WeakPolarHBondContact O-CG 3.21Å; A378-L382 PolarHBondContact O-N 3.27Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 2.85Å; L382-L387 HydrophobicContact CB-CD1 4.18Å; L382-L387 HydrophobicContact CD2-CD1 3.54Å; L382-L387 HydrophobicContact CG-CD1 4.44Å; L382-L387 VanDerWaalsContact O-CB 3.28Å; L382-L387 WeakPolarHBondContact O-CB 3.31Å; L382-L387 PolarHBondContact O-N 3.4Å; L382-I390 HydrophobicContact CB-CD1 3.63Å; L382-I390 HydrophobicContact CB-CG1 4.24Å; L382-I390 HydrophobicContact CB-CG2 4.35Å; L382-I390 HydrophobicContact CD1-CG2 3.93Å; L382-L392 HydrophobicContact CD1-CD1 4.15Å; L382-L392 HydrophobicContact CD1-CD2 4.44Å; L382-I424 HydrophobicContact CD1-CG2 3.91Å; L382-M426 HydrophobicContact CD1-SD 4.47Å; L382-M426 HydrophobicContact CD2-SD 4.13Å |
| 383 | K | 97.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 56.7 Ų | 56.7 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 173.1 | -71.7 | 167.2 | -175.5 | 172.4 | 0 | 111.7 | K379 S380 V381 R385 G386 I390 | K379-K383 VanDerWaalsContact O-CG 3.3Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 2.85Å; S380-K383 WeakPolarHBondContact O-CB 3.36Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.12Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.9Å; K383-R385 VanDerWaalsContact C-N 3.31Å; K383-R385 PolarHBondContact O-N 3.38Å; K383-G386 WeakPolarHBondContact O-CA 3.23Å; K383-G386 PolarHBondContact O-N 3.33Å; K383-I390 HydrophobicContact CB-CD1 4.32Å; K383-I390 HydrophobicContact CG-CD1 3.71Å |
| 384 | E | 97.4 | Very high | 97.3 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -33.9 | -178.8 | -69.4 | 160.1 | -140 | 0 | 0 | 111.9 | R305 S380 V381 G386 | R305-E384 IonicContact CZ-OE1 3.33Å; R305-E384 IonicContact CZ-OE2 2.72Å; R305-E384 IonicContact NH1-OE1 2.97Å; R305-E384 IonicContact NH1-OE2 2.72Å; R305-E384 PolarHBondContact NH1-OE2 2.57Å; R305-E384 IonicContact NH2-OE1 3.52Å; R305-E384 PolarHBondContact NH2-OE1 3.02Å; R305-E384 IonicContact NH2-OE2 2.74Å; R305-E384 PolarHBondContact NH2-OE2 3.29Å; S380-E384 WeakPolarHBondContact O-CG 3.14Å; S380-E384 PolarHBondContact O-N 2.9Å; V381-E384 PolarHBondContact O-N 3.44Å; V381-E384 VanDerWaalsContact O-N 3.14Å; E384-G386 PolarHBondContact O-N 3.31Å |
| 385 | R | 96.8 | Very high | 97 | Very high | 120 Ų | 120 | 58.6 Ų | 58.6 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 8.5 | 167.6 | -56.9 | -55.6 | -166.1 | 101.1 | 9.6 | 113.6 | D309 L312 E313 V381 K383 | D309-R385 IonicContact OD1-CZ 2.89Å; D309-R385 IonicContact OD1-NE 3.21Å; D309-R385 IonicContact OD1-NH2 2.86Å; D309-R385 PolarHBondContact OD1-NH2 2.96Å; L312-R385 HydrophobicContact CD2-CG 4.02Å; E313-R385 IonicContact OE1-CZ 2.94Å; E313-R385 IonicContact OE1-NH1 3.81Å; E313-R385 PolarHBondContact OE1-NH1 3.42Å; E313-R385 IonicContact OE1-NH2 3.76Å; E313-R385 PolarHBondContact OE1-NH2 3.43Å; V381-R385 HydrophobicContact CG1-CG 4.33Å; V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 3.44Å; K383-R385 VanDerWaalsContact C-N 3.31Å; K383-R385 PolarHBondContact O-N 3.38Å |
| 386 | G | 95.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 8.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K383 E384 | K383-G386 WeakPolarHBondContact O-CA 3.23Å; K383-G386 PolarHBondContact O-N 3.33Å; E384-G386 PolarHBondContact O-N 3.31Å |
| 387 | L | 96.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | trans | -82.4 | 147.2 | -174.7 | -56.6 | 167 | 0 | 0 | 0 | 112.4 | M320 L382 I390 M426 W428 | M320-L387 HydrophobicContact CE-CD1 3.81Å; M320-L387 HydrophobicContact CE-CD2 3.72Å; M320-L387 HydrophobicContact CE-CG 4.43Å; L382-L387 HydrophobicContact CB-CD1 4.18Å; L382-L387 HydrophobicContact CD2-CD1 3.54Å; L382-L387 HydrophobicContact CG-CD1 4.44Å; L382-L387 VanDerWaalsContact O-CB 3.28Å; L382-L387 WeakPolarHBondContact O-CB 3.31Å; L382-L387 PolarHBondContact O-N 3.4Å; L387-I390 HydrophobicContact CB-CD1 4.09Å; L387-I390 HydrophobicContact CB-CG1 4.19Å; L387-I390 VanDerWaalsContact O-CD1 3.23Å; L387-I390 WeakPolarHBondContact O-CD1 3.35Å; L387-M426 HydrophobicContact CB-CB 4.47Å; L387-M426 HydrophobicContact CD1-CB 4.4Å; L387-M426 HydrophobicContact CD1-CG 4.37Å; L387-M426 HydrophobicContact CD1-SD 4.42Å; L387-W428 HydrophobicContact CD2-CB 4.07Å | ||
| 388 | K | 94.6 | Very high | 96.2 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 170.8 | -178.3 | -70.7 | -174 | 167.7 | -168.4 | 0 | 111.8 | I390 S427 E431 | K388-I390 PolarHBondContact O-N 3.16Å; K388-S427 PolarHBondContact N-O 2.9Å; K388-S427 PolarHBondContact O-N 2.69Å; K388-E431 IonicContact NZ-OE2 3.49Å; K388-E431 PolarHBondContact NZ-OE2 2.89Å |
| 389 | K | 94.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 24.4 | 175.1 | -57.6 | 175.3 | 178.3 | 173.6 | 0 | 114.2 | R391 E429 | K389-R391 PolarHBondContact O-N 2.78Å; K389-E429 IonicContact NZ-OE2 2.69Å; K389-E429 PolarHBondContact NZ-OE2 3.15Å |
| 390 | I | 97.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 118.5 | -168.8 | -58 | 157.2 | 0 | 0 | 0 | 111.8 | K379 L382 K383 L387 K388 L392 R425 M426 | K379-I390 HydrophobicContact CG-CG2 4.02Å; L382-I390 HydrophobicContact CB-CD1 3.63Å; L382-I390 HydrophobicContact CB-CG1 4.24Å; L382-I390 HydrophobicContact CB-CG2 4.35Å; L382-I390 HydrophobicContact CD1-CG2 3.93Å; K383-I390 HydrophobicContact CB-CD1 4.32Å; K383-I390 HydrophobicContact CG-CD1 3.71Å; L387-I390 HydrophobicContact CB-CD1 4.09Å; L387-I390 HydrophobicContact CB-CG1 4.19Å; L387-I390 VanDerWaalsContact O-CD1 3.23Å; L387-I390 WeakPolarHBondContact O-CD1 3.35Å; K388-I390 PolarHBondContact O-N 3.16Å; I390-L392 HydrophobicContact CG2-CD1 3.5Å; I390-R425 CarbonylContact C-O 3.56Å; I390-R425 VanDerWaalsContact CA-O 3.31Å; I390-R425 WeakPolarHBondContact CA-O 3.4Å; I390-M426 HydrophobicContact CG1-CB 4.27Å |
| 391 | R | 96.6 | Very high | 94.8 | Very high | 120 Ų | 120 | 57.1 Ų | 57.1 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.9 | 167.9 | -71.1 | 173.3 | 56.4 | -169.7 | -6.8 | 109.1 | K389 E395 F423 R425 | K389-R391 PolarHBondContact O-N 2.78Å; R391-E395 IonicContact NH2-OE1 2.64Å; R391-E395 PolarHBondContact NH2-OE1 2.92Å; R391-F423 HydrophobicContact CB-CE2 3.92Å; R391-F423 HydrophobicContact CB-CZ 4.42Å; R391-R425 HydrophobicContact CB-CB 4.39Å; R391-R425 PolarHBondContact N-O 2.93Å; R391-R425 PolarHBondContact O-N 2.59Å |
| 392 | L | 97.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.1 | 163 | -59.1 | 94.3 | 0 | 0 | 0 | 108.1 | F369 R375 A378 K379 L382 I390 F423 I424 | F369-L392 HydrophobicContact CD1-CD2 4.24Å; F369-L392 HydrophobicContact CE1-CD2 3.5Å; F369-L392 HydrophobicContact CZ-CD2 3.93Å; R375-L392 HydrophobicContact CB-CB 4.35Å; A378-L392 HydrophobicContact CB-CD2 4.13Å; K379-L392 HydrophobicContact CB-CD1 3.74Å; K379-L392 HydrophobicContact CG-CD1 4.02Å; L382-L392 HydrophobicContact CD1-CD1 4.15Å; L382-L392 HydrophobicContact CD1-CD2 4.44Å; I390-L392 HydrophobicContact CG2-CD1 3.5Å; L392-F423 WeakPolarHBondContact CA-O 3.2Å; L392-I424 HydrophobicContact CD2-CG1 4.24Å; L392-I424 HydrophobicContact CD2-CG2 4.14Å; L392-I424 HydrophobicContact CG-CG2 4.13Å |
| 393 | G | 96.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | -161.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P422 F423 | G393-P422 VanDerWaalsContact O-CA 3.3Å; G393-P422 WeakPolarHBondContact O-CA 3.42Å; G393-F423 PolarHBondContact N-O 2.81Å; G393-F423 PolarHBondContact O-N 2.78Å |
| 394 | I | 95.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.3 | 168.6 | -65.8 | 169.2 | 0 | 0 | 0 | 105.3 | Q420 R421 P422 | I394-Q420 HydrophobicContact CG2-CB 3.86Å; I394-R421 WeakPolarHBondContact CA-O 3.44Å; I394-P422 HydrophobicContact CG1-CG 4.34Å |
| 395 | E | 92.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 166.6 | -179.5 | -80.5 | 174.5 | -155.5 | 0 | 0 | 109.5 | R391 Y397 R421 F423 | R391-E395 IonicContact NH2-OE1 2.64Å; R391-E395 PolarHBondContact NH2-OE1 2.92Å; E395-Y397 PolarHBondContact O-N 2.52Å; E395-R421 PolarHBondContact N-O 3.13Å; E395-R421 PolarHBondContact O-N 3.24Å; E395-F423 HydrophobicContact CB-CD1 3.96Å; E395-F423 HydrophobicContact CB-CE1 4.11Å; E395-F423 HydrophobicContact CG-CD1 3.94Å; E395-F423 HydrophobicContact CG-CE1 3.54Å; E395-F423 HydrophobicContact CG-CZ 4.36Å; E395-F423 WeakPolarHBondContact OE1-CE1 3.4Å; E395-F423 WeakPolarHBondContact OE1-CZ 3.47Å |
| 396 | G | 93.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y418 | G396-Y418 WeakPolarHBondContact O-CD1 3.44Å |
| 397 | Y | 92.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.1 | 177.7 | -167.5 | -100.1 | 0 | 0 | 0 | 111.6 | V334 L336 V342 W344 M352 I359 E395 Y418 V419 | V334-Y397 HydrophobicContact CB-CD2 4.09Å; V334-Y397 HydrophobicContact CB-CE2 4.03Å; V334-Y397 HydrophobicContact CG1-CD2 3.67Å; V334-Y397 HydrophobicContact CG1-CE2 4.02Å; V334-Y397 HydrophobicContact CG1-CG 3.95Å; V334-Y397 HydrophobicContact CG2-CD2 3.78Å; V334-Y397 HydrophobicContact CG2-CE2 3.8Å; L336-Y397 HydrophobicContact CD1-CE1 4.34Å; L336-Y397 HydrophobicContact CD2-CD1 4.03Å; L336-Y397 HydrophobicContact CD2-CE1 4.4Å; V342-Y397 HydrophobicContact CG1-CE1 4.34Å; V342-Y397 HydrophobicContact CG2-CE1 4.08Å; W344-Y397 HydrophobicContact CZ2-CE1 4.04Å; W344-Y397 HydrophobicContact CZ2-CE2 4.43Å; W344-Y397 AromaticContact CZ2-CZ 3.7Å; W344-Y397 VanDerWaalsContact CZ2-OH 3.31Å; W344-Y397 WeakPolarHBondContact CZ2-OH 3.43Å; M352-Y397 HydrophobicContact CE-CD2 4.3Å; M352-Y397 HydrophobicContact CE-CE2 3.66Å; I359-Y397 VanDerWaalsContact CD1-OH 3.28Å; I359-Y397 WeakPolarHBondContact CD1-OH 3.18Å; E395-Y397 PolarHBondContact O-N 2.52Å; Y397-Y418 WeakPolarHBondContact O-CA 3.5Å; Y397-V419 PolarHBondContact N-O 2.81Å; Y397-V419 PolarHBondContact O-N 2.93Å |
| 398 | P | 92.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.4 | 179.6 | 29.2 | -32.3 | 0 | 0 | 0 | 111 | W344 P350 M352 Y416 N417 Y418 | W344-P398 HydrophobicContact CZ2-CG 4.28Å; W344-P398 PolarHBondContact NE1-O 3.24Å; P350-P398 HydrophobicContact CB-CB 3.83Å; P350-P398 HydrophobicContact CB-CG 3.74Å; P350-P398 HydrophobicContact CG-CB 4.24Å; P350-P398 HydrophobicContact CG-CG 3.93Å; M352-P398 HydrophobicContact SD-CG 3.59Å; M352-P398 VanDerWaalsContact SD-CG 3.59Å; P398-Y416 HydrophobicContact CB-CD1 4.16Å; P398-Y416 HydrophobicContact CB-CG 4.24Å; P398-N417 WeakPolarHBondContact CA-O 3.31Å; P398-Y418 HydrophobicContact CB-CD1 4.18Å; P398-Y418 HydrophobicContact CB-CE1 3.77Å; P398-Y418 HydrophobicContact CG-CE1 4.22Å |
| 399 | T | 89.1 | Confident | 88.9 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -67.7 | -179.3 | 39.8 | 0 | 0 | 0 | 0 | 111.9 | D343 N417 V419 | D343-T399 CarbonylContact C-O 3.57Å; D343-T399 PolarHBondContact N-O 3.01Å; T399-N417 PolarHBondContact N-O 3.07Å; T399-N417 PolarHBondContact OG1-ND2 2.78Å; T399-N417 PolarHBondContact OG1-O 3.09Å; T399-V419 HydrophobicContact CG2-CB 4.43Å; T399-V419 HydrophobicContact CG2-CG1 4.05Å; T399-V419 HydrophobicContact CG2-CG2 3.51Å |
| 400 | Y | 87.8 | Confident | 88.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.8 | -178.3 | 61.4 | -95.8 | 0 | 0 | 0 | 112.3 | D343 E402 Y416 N417 | D343-Y400 WeakPolarHBondContact O-CA 3.44Å; Y400-E402 HydrophobicContact CE2-CG 4.34Å; Y400-E402 PolarHBondContact O-N 2.8Å; Y400-Y416 VanDerWaalsContact C-CD1 3.41Å; Y400-Y416 CarbonylContact O-C 3.51Å; Y400-Y416 WeakPolarHBondContact O-CA 3.48Å; Y400-Y416 WeakPolarHBondContact O-CD1 3.26Å; Y400-N417 HydrophobicContact CD1-CB 4.23Å; Y400-N417 HydrophobicContact CD2-CB 4.13Å; Y400-N417 HydrophobicContact CE1-CB 3.86Å; Y400-N417 VanDerWaalsContact CE1-ND2 3.32Å; Y400-N417 WeakPolarHBondContact CE1-ND2 3.34Å; Y400-N417 HydrophobicContact CE2-CB 3.73Å; Y400-N417 HydrophobicContact CG-CB 4.35Å; Y400-N417 PolarHBondContact O-N 3.4Å |
| 401 | K | 88.6 | Confident | 87.2 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.1 | 179.3 | 175.9 | 178.1 | 169.2 | -171.6 | 0 | 110.3 | D345 V414 Y416 | D345-K401 HydrophobicContact CB-CB 4.19Å; D345-K401 HydrophobicContact CB-CD 3.36Å; D345-K401 HydrophobicContact CB-CG 4.44Å; D345-K401 IonicContact OD1-NZ 3.04Å; D345-K401 PolarHBondContact OD1-NZ 2.61Å; D345-K401 WeakPolarHBondContact OD2-CD 3.33Å; D345-K401 IonicContact OD2-NZ 2.75Å; D345-K401 PolarHBondContact OD2-NZ 3.15Å; K401-V414 HydrophobicContact CD-CG1 4.22Å; K401-V414 HydrophobicContact CG-CG1 4.04Å; K401-Y416 HydrophobicContact CB-CD1 4.41Å; K401-Y416 HydrophobicContact CB-CE1 3.94Å |
| 402 | E | 86.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -49.1 | 177.2 | -66.7 | -173.7 | 156.5 | 0 | 0 | 112.4 | Y400 I415 N417 | Y400-E402 HydrophobicContact CE2-CG 4.34Å; Y400-E402 PolarHBondContact O-N 2.8Å; E402-I415 WeakPolarHBondContact CB-O 3.5Å; E402-I415 PolarHBondContact N-O 2.73Å; E402-I415 WeakPolarHBondContact OE2-CG2 3.08Å; E402-N417 HydrophobicContact CG-CB 4.03Å |
| 403 | K | 85.3 | Confident | 85.7 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 48% | 0.478 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 148.9 | -167.5 | 54.2 | -175.2 | 170.3 | -79.9 | 0 | 113.1 | I415 | K403-I415 HydrophobicContact CD-CD1 4.34Å; K403-I415 HydrophobicContact CG-CB 3.89Å; K403-I415 HydrophobicContact CG-CD1 4.14Å; K403-I415 HydrophobicContact CG-CG1 4.47Å; K403-I415 HydrophobicContact CG-CG2 4.37Å; K403-I415 PolarHBondContact N-O 3.19Å; K403-I415 PolarHBondContact O-N 3.23Å |
| 404 | V | 84 | Confident | 85.3 | Confident | 49 Ų | 49 | 79.9 Ų | 79.9 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 108.7 | 170.7 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | K406 P412 V414 | V404-K406 HydrophobicContact CG1-CG 4.09Å; V404-K406 PolarHBondContact O-N 3.13Å; V404-P412 HydrophobicContact CG1-CB 3.6Å; V404-V414 HydrophobicContact CG1-CG2 4.12Å; V404-V414 HydrophobicContact CG2-CG2 4.2Å |
| 405 | K | 82.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 79 Ų | 79 | 38% | 0.378 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 94.5 | -178.8 | 178.4 | 177 | 165 | -154.2 | 0 | 109.6 | E413 I415 | K405-E413 HydrophobicContact CB-CB 4.15Å; K405-E413 WeakPolarHBondContact CB-O 3.27Å; K405-E413 WeakPolarHBondContact CD-OE2 3.19Å; K405-E413 VanDerWaalsContact CE-OE2 3.26Å; K405-E413 WeakPolarHBondContact CE-OE2 3.42Å; K405-E413 PolarHBondContact N-O 2.89Å; K405-E413 IonicContact NZ-OE1 2.87Å; K405-E413 PolarHBondContact NZ-OE1 2.82Å; K405-E413 IonicContact NZ-OE2 3.15Å; K405-E413 PolarHBondContact NZ-OE2 2.75Å; K405-E413 VanDerWaalsContact NZ-OE2 3.15Å; K405-E413 WeakPolarHBondContact O-CB 3.42Å; K405-E413 PolarHBondContact O-N 3.34Å; K405-I415 HydrophobicContact CB-CD1 4.38Å; K405-I415 HydrophobicContact CD-CD1 4.1Å |
| 406 | K | 79.5 | Confident | 84.8 | Confident | 146 Ų | 146 | 75.1 Ų | 75.1 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 117.7 | 174.1 | -62.5 | -174.2 | -179.5 | -178.1 | 0 | 109.2 | V404 P412 | V404-K406 HydrophobicContact CG1-CG 4.09Å; V404-K406 PolarHBondContact O-N 3.13Å; K406-P412 HydrophobicContact CD-CG 4.44Å; K406-P412 HydrophobicContact CG-CB 4.03Å; K406-P412 HydrophobicContact CG-CG 4.26Å |
| 407 | R | 81.2 | Confident | 84.7 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 141.4 | 172.1 | -136.6 | 176 | -64.1 | -146.8 | 7.1 | 108.4 | G409 S410 E413 | R407-G409 PolarHBondContact O-N 2.84Å; R407-G409 VanDerWaalsContact O-N 3.09Å; R407-S410 WeakPolarHBondContact CB-OG 3.44Å; R407-S410 PolarHBondContact N-OG 2.74Å; R407-S410 PolarHBondContact O-N 2.71Å; R407-S410 PolarHBondContact O-OG 2.64Å; R407-E413 IonicContact CZ-OE2 3.78Å; R407-E413 IonicContact NH2-OE1 2.67Å; R407-E413 IonicContact NH2-OE2 2.75Å; R407-E413 PolarHBondContact NH2-OE2 3.48Å |
| 408 | P | 77.7 | Confident | 84.7 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 90% | 0.896 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 119.5 | 179.9 | -26.9 | 35.7 | 0 | 0 | 0 | 111.5 | ||
| 409 | G | 76.1 | Confident | 84.8 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 96% | 0.959 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 0.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | R407 | R407-G409 PolarHBondContact O-N 2.84Å; R407-G409 VanDerWaalsContact O-N 3.09Å |
| 410 | S | 77.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -97.8 | 161.5 | 172.7 | 82.2 | 0 | 0 | 0 | 0 | 112.3 | R407 | R407-S410 WeakPolarHBondContact CB-OG 3.44Å; R407-S410 PolarHBondContact N-OG 2.74Å; R407-S410 PolarHBondContact O-N 2.71Å; R407-S410 PolarHBondContact O-OG 2.64Å |
| 411 | R | 78.7 | Confident | 85.5 | Confident | 228 Ų | 228 | 83.2 Ų | 83.2 | 86% | 0.86 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 153.6 | 158.7 | -71.6 | -174.6 | 175.7 | -174.9 | -2.4 | 109.9 | E413 | R411-E413 PolarHBondContact O-N 2.65Š|
| 412 | P | 79.9 | Confident | 86 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.2 | 173.1 | -20.6 | 33.1 | 0 | 0 | 0 | 111.6 | Y348 V404 K406 | Y348-P412 HydrophobicContact CE1-CB 4.26Å; Y348-P412 HydrophobicContact CE1-CG 4.27Å; V404-P412 HydrophobicContact CG1-CB 3.6Å; K406-P412 HydrophobicContact CD-CG 4.44Å; K406-P412 HydrophobicContact CG-CB 4.03Å; K406-P412 HydrophobicContact CG-CG 4.26Å |
| 413 | E | 83.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 105.5 | 175 | -178.6 | -173.6 | 164 | 0 | 0 | 107.5 | K405 R407 R411 | K405-E413 HydrophobicContact CB-CB 4.15Å; K405-E413 WeakPolarHBondContact CB-O 3.27Å; K405-E413 WeakPolarHBondContact CD-OE2 3.19Å; K405-E413 VanDerWaalsContact CE-OE2 3.26Å; K405-E413 WeakPolarHBondContact CE-OE2 3.42Å; K405-E413 PolarHBondContact N-O 2.89Å; K405-E413 IonicContact NZ-OE1 2.87Å; K405-E413 PolarHBondContact NZ-OE1 2.82Å; K405-E413 IonicContact NZ-OE2 3.15Å; K405-E413 PolarHBondContact NZ-OE2 2.75Å; K405-E413 VanDerWaalsContact NZ-OE2 3.15Å; K405-E413 WeakPolarHBondContact O-CB 3.42Å; K405-E413 PolarHBondContact O-N 3.34Å; R407-E413 IonicContact CZ-OE2 3.78Å; R407-E413 IonicContact NH2-OE1 2.67Å; R407-E413 IonicContact NH2-OE2 2.75Å; R407-E413 PolarHBondContact NH2-OE2 3.48Å; R411-E413 PolarHBondContact O-N 2.65Å |
| 414 | V | 86.6 | Confident | 87 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 26% | 0.255 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.6 | -175 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | Y348 K401 V404 Y416 | Y348-V414 HydrophobicContact CD1-CG2 3.61Å; Y348-V414 HydrophobicContact CD2-CG2 4.48Å; Y348-V414 HydrophobicContact CE1-CG2 4.36Å; Y348-V414 HydrophobicContact CG-CG2 3.7Å; K401-V414 HydrophobicContact CD-CG1 4.22Å; K401-V414 HydrophobicContact CG-CG1 4.04Å; V404-V414 HydrophobicContact CG1-CG2 4.12Å; V404-V414 HydrophobicContact CG2-CG2 4.2Å; V414-Y416 HydrophobicContact CG1-CD2 4.17Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å |
| 415 | I | 88.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.5 | -173.5 | -61.4 | 172.7 | 0 | 0 | 0 | 108.4 | E402 K403 K405 | E402-I415 WeakPolarHBondContact CB-O 3.5Å; E402-I415 PolarHBondContact N-O 2.73Å; E402-I415 WeakPolarHBondContact OE2-CG2 3.08Å; K403-I415 HydrophobicContact CD-CD1 4.34Å; K403-I415 HydrophobicContact CG-CB 3.89Å; K403-I415 HydrophobicContact CG-CD1 4.14Å; K403-I415 HydrophobicContact CG-CG1 4.47Å; K403-I415 HydrophobicContact CG-CG2 4.37Å; K403-I415 PolarHBondContact N-O 3.19Å; K403-I415 PolarHBondContact O-N 3.23Å; K405-I415 HydrophobicContact CB-CD1 4.38Å; K405-I415 HydrophobicContact CD-CD1 4.1Å |
| 416 | Y | 90.5 | Very high | 88.2 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 5% | 0.051 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.1 | 177.7 | -85.1 | -91.9 | 0 | 0 | 0 | 111 | D345 Y348 P350 P398 Y400 K401 V414 Y418 | D345-Y416 PolarHBondContact N-OH 3.43Å; Y348-Y416 WeakPolarHBondContact O-CE2 3.39Å; Y348-Y416 PolarHBondContact O-OH 2.62Å; P350-Y416 HydrophobicContact CB-CD1 4.36Å; P350-Y416 HydrophobicContact CB-CD2 4.04Å; P350-Y416 HydrophobicContact CB-CE1 4.25Å; P350-Y416 HydrophobicContact CB-CE2 3.91Å; P350-Y416 HydrophobicContact CB-CG 4.28Å; P350-Y416 WeakPolarHBondContact CD-OH 3.49Å; P350-Y416 HydrophobicContact CG-CE1 4.32Å; P398-Y416 HydrophobicContact CB-CD1 4.16Å; P398-Y416 HydrophobicContact CB-CG 4.24Å; Y400-Y416 VanDerWaalsContact C-CD1 3.41Å; Y400-Y416 CarbonylContact O-C 3.51Å; Y400-Y416 WeakPolarHBondContact O-CA 3.48Å; Y400-Y416 WeakPolarHBondContact O-CD1 3.26Å; K401-Y416 HydrophobicContact CB-CD1 4.41Å; K401-Y416 HydrophobicContact CB-CE1 3.94Å; V414-Y416 HydrophobicContact CG1-CD2 4.17Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.43Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.36Å |
| 417 | N | 91.2 | Very high | 88.9 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.3 | 165.3 | 174.8 | 57.6 | 0 | 0 | 0 | 109.5 | P398 T399 Y400 E402 | P398-N417 WeakPolarHBondContact CA-O 3.31Å; T399-N417 PolarHBondContact N-O 3.07Å; T399-N417 PolarHBondContact OG1-ND2 2.78Å; T399-N417 PolarHBondContact OG1-O 3.09Å; Y400-N417 HydrophobicContact CD1-CB 4.23Å; Y400-N417 HydrophobicContact CD2-CB 4.13Å; Y400-N417 HydrophobicContact CE1-CB 3.86Å; Y400-N417 VanDerWaalsContact CE1-ND2 3.32Å; Y400-N417 WeakPolarHBondContact CE1-ND2 3.34Å; Y400-N417 HydrophobicContact CE2-CB 3.73Å; Y400-N417 HydrophobicContact CG-CB 4.35Å; Y400-N417 PolarHBondContact O-N 3.4Å; E402-N417 HydrophobicContact CG-CB 4.03Å |
| 418 | Y | 92.7 | Very high | 89.6 | Confident | 124 Ų | 124 | 56.8 Ų | 56.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.1 | -176.6 | -73.9 | -91.6 | 0 | 0 | 0 | 111.7 | G396 Y397 P398 Y416 | G396-Y418 WeakPolarHBondContact O-CD1 3.44Å; Y397-Y418 WeakPolarHBondContact O-CA 3.5Å; P398-Y418 HydrophobicContact CB-CD1 4.18Å; P398-Y418 HydrophobicContact CB-CE1 3.77Å; P398-Y418 HydrophobicContact CG-CE1 4.22Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.43Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.36Å |
| 419 | V | 93.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 54 Ų | 54 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.4 | 175.2 | -67 | 0 | 0 | 0 | 0 | 110.7 | Y397 T399 R421 | Y397-V419 PolarHBondContact N-O 2.81Å; Y397-V419 PolarHBondContact O-N 2.93Å; T399-V419 HydrophobicContact CG2-CB 4.43Å; T399-V419 HydrophobicContact CG2-CG1 4.05Å; T399-V419 HydrophobicContact CG2-CG2 3.51Å; V419-R421 HydrophobicContact CB-CG 4.31Å; V419-R421 HydrophobicContact CG2-CG 3.67Å; V419-R421 PolarHBondContact O-N 3.23Å |
| 420 | Q | 95.8 | Very high | 90.7 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.7 | 177.6 | -69 | -62.6 | -51.7 | 0 | 0 | 109.8 | I394 | I394-Q420 HydrophobicContact CG2-CB 3.86Å |
| 421 | R | 96.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.3 | -172.2 | -67.9 | -68.5 | 176.9 | -96.3 | 10.6 | 112 | V334 V335 L336 D340 I394 E395 V419 | V334-R421 HydrophobicContact CG1-CB 4.04Å; V335-R421 WeakPolarHBondContact O-CD 3.31Å; L336-R421 HydrophobicContact CD2-CB 4.29Å; L336-R421 HydrophobicContact CD2-CG 3.68Å; D340-R421 IonicContact OD1-CZ 3.34Å; D340-R421 IonicContact OD1-NE 3.52Å; D340-R421 PolarHBondContact OD1-NE 3.2Å; D340-R421 IonicContact OD1-NH2 3.8Å; D340-R421 PolarHBondContact OD1-NH2 2.98Å; D340-R421 IonicContact OD2-CZ 2.8Å; D340-R421 VanDerWaalsContact OD2-CZ 3.24Å; D340-R421 IonicContact OD2-NE 3.09Å; D340-R421 PolarHBondContact OD2-NE 2.94Å; D340-R421 IonicContact OD2-NH2 3.85Å; D340-R421 PolarHBondContact OD2-NH2 2.67Å; I394-R421 WeakPolarHBondContact CA-O 3.44Å; E395-R421 PolarHBondContact N-O 3.13Å; E395-R421 PolarHBondContact O-N 3.24Å; V419-R421 HydrophobicContact CB-CG 4.31Å; V419-R421 HydrophobicContact CG2-CG 3.67Å; V419-R421 PolarHBondContact O-N 3.23Å |
| 422 | P | 97.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 144.3 | 173.2 | -20.7 | 32.5 | 0 | 0 | 0 | 111.5 | V335 Y366 F369 G393 I394 | V335-P422 HydrophobicContact CB-CB 4.24Å; V335-P422 PolarHBondContact N-O 3.48Å; Y366-P422 VanDerWaalsContact CD2-CD 3.45Å; Y366-P422 HydrophobicContact CD2-CG 3.95Å; Y366-P422 HydrophobicContact CE2-CG 4.41Å; F369-P422 HydrophobicContact CB-CB 3.58Å; F369-P422 HydrophobicContact CB-CG 3.74Å; F369-P422 HydrophobicContact CD2-CB 3.92Å; F369-P422 HydrophobicContact CG-CB 4.1Å; G393-P422 VanDerWaalsContact O-CA 3.3Å; G393-P422 WeakPolarHBondContact O-CA 3.42Å; I394-P422 HydrophobicContact CG1-CG 4.34Å |
| 423 | F | 96.4 | Very high | 87.9 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.2 | 171.3 | 76.1 | -84.3 | 0 | 0 | 0 | 110.8 | H332 V333 V334 R391 L392 G393 E395 | H332-F423 AromaticContact NE2-CD2 3.51Å; H332-F423 AromaticContact NE2-CG 3.83Å; V333-F423 CarbonylContact O-C 3.58Å; V333-F423 WeakPolarHBondContact O-CA 3.43Å; V334-F423 HydrophobicContact CG2-CB 4.35Å; R391-F423 HydrophobicContact CB-CE2 3.92Å; R391-F423 HydrophobicContact CB-CZ 4.42Å; L392-F423 WeakPolarHBondContact CA-O 3.2Å; G393-F423 PolarHBondContact N-O 2.81Å; G393-F423 PolarHBondContact O-N 2.78Å; E395-F423 HydrophobicContact CB-CD1 3.96Å; E395-F423 HydrophobicContact CB-CE1 4.11Å; E395-F423 HydrophobicContact CG-CD1 3.94Å; E395-F423 HydrophobicContact CG-CE1 3.54Å; E395-F423 HydrophobicContact CG-CZ 4.36Å; E395-F423 WeakPolarHBondContact OE1-CE1 3.4Å; E395-F423 WeakPolarHBondContact OE1-CZ 3.47Å |
| 424 | I | 97.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.7 | 173 | -40.4 | 173.3 | 0 | 0 | 0 | 106.9 | V316 H332 V333 F369 L382 L392 M426 | V316-I424 HydrophobicContact CG1-CD1 4.34Å; V316-I424 HydrophobicContact CG2-CD1 3.88Å; H332-I424 WeakPolarHBondContact CA-O 3.42Å; V333-I424 HydrophobicContact CB-CB 4.41Å; V333-I424 PolarHBondContact N-O 2.99Å; V333-I424 PolarHBondContact O-N 2.87Å; F369-I424 HydrophobicContact CE2-CD1 3.71Å; F369-I424 HydrophobicContact CE2-CG1 3.95Å; F369-I424 HydrophobicContact CZ-CD1 3.6Å; F369-I424 HydrophobicContact CZ-CG1 3.88Å; L382-I424 HydrophobicContact CD1-CG2 3.91Å; L392-I424 HydrophobicContact CD2-CG1 4.24Å; L392-I424 HydrophobicContact CD2-CG2 4.14Å; L392-I424 HydrophobicContact CG-CG2 4.13Å; I424-M426 HydrophobicContact CB-CE 4.36Å; I424-M426 HydrophobicContact CG2-CE 3.97Å; I424-M426 HydrophobicContact CG2-SD 3.63Å |
| 425 | R | 95.6 | Very high | 84.9 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.2 | 164.6 | 179.4 | 178 | 174.8 | 172.4 | 10.1 | 109.5 | E330 C331 E355 I390 R391 | E330-R425 IonicContact OE1-CZ 2.59Å; E330-R425 IonicContact OE1-NH2 3.83Å; E330-R425 PolarHBondContact OE1-NH2 3.06Å; E330-R425 IonicContact OE2-CZ 3.69Å; E330-R425 IonicContact OE2-NE 3.09Å; E330-R425 PolarHBondContact OE2-NE 2.83Å; E330-R425 IonicContact OE2-NH2 3.99Å; E330-R425 PolarHBondContact OE2-NH2 3.38Å; C331-R425 WeakPolarHBondContact O-CA 3.4Å; E355-R425 IonicContact OE1-CZ 2.72Å; E355-R425 IonicContact OE1-NH1 3.62Å; E355-R425 PolarHBondContact OE1-NH1 3.23Å; E355-R425 IonicContact OE1-NH2 2.79Å; E355-R425 PolarHBondContact OE1-NH2 3.44Å; E355-R425 IonicContact OE2-CZ 2.62Å; E355-R425 IonicContact OE2-NE 2.81Å; E355-R425 PolarHBondContact OE2-NE 2.94Å; E355-R425 IonicContact OE2-NH1 3.88Å; E355-R425 PolarHBondContact OE2-NH1 3.48Å; E355-R425 IonicContact OE2-NH2 3.09Å; I390-R425 CarbonylContact C-O 3.56Å; I390-R425 VanDerWaalsContact CA-O 3.31Å; I390-R425 WeakPolarHBondContact CA-O 3.4Å; R391-R425 HydrophobicContact CB-CB 4.39Å; R391-R425 PolarHBondContact N-O 2.93Å; R391-R425 PolarHBondContact O-N 2.59Å |
| 426 | M | 96.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 154.5 | -178.5 | 59.8 | -136.8 | 143.4 | 0 | 0 | 110.7 | V316 M320 E330 C331 V333 L382 L387 I390 I424 | V316-M426 HydrophobicContact CG1-CE 3.65Å; V316-M426 HydrophobicContact CG1-SD 4.28Å; M320-M426 HydrophobicContact CE-CG 4.46Å; M320-M426 HydrophobicContact CG-CE 3.86Å; M320-M426 HydrophobicContact SD-CE 3.83Å; M320-M426 HydrophobicContact SD-CG 4.38Å; M320-M426 HydrophobicContact SD-SD 3.82Å; E330-M426 CarbonylContact C-O 3.59Å; E330-M426 VanDerWaalsContact CA-O 3.26Å; E330-M426 WeakPolarHBondContact CA-O 3.22Å; E330-M426 VanDerWaalsContact CB-O 3.31Å; E330-M426 WeakPolarHBondContact CB-O 3.43Å; C331-M426 HydrophobicContact CB-CE 4.05Å; C331-M426 PolarHBondContact N-O 3.34Å; C331-M426 PolarHBondContact O-N 3.31Å; C331-M426 VanDerWaalsContact O-N 3.09Å; V333-M426 HydrophobicContact CG2-CE 3.83Å; L382-M426 HydrophobicContact CD1-SD 4.47Å; L382-M426 HydrophobicContact CD2-SD 4.13Å; L387-M426 HydrophobicContact CB-CB 4.47Å; L387-M426 HydrophobicContact CD1-CB 4.4Å; L387-M426 HydrophobicContact CD1-CG 4.37Å; L387-M426 HydrophobicContact CD1-SD 4.42Å; I390-M426 HydrophobicContact CG1-CB 4.27Å; I424-M426 HydrophobicContact CB-CE 4.36Å; I424-M426 HydrophobicContact CG2-CE 3.97Å; I424-M426 HydrophobicContact CG2-SD 3.63Å |
| 427 | S | 94.9 | Very high | 81.9 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.6 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | R329 K388 E429 | R329-S427 WeakPolarHBondContact O-CA 3.38Å; R329-S427 WeakPolarHBondContact O-CB 3.3Å; R329-S427 PolarHBondContact O-OG 2.76Å; K388-S427 PolarHBondContact N-O 2.9Å; K388-S427 PolarHBondContact O-N 2.69Å; S427-E429 WeakPolarHBondContact OG-CB 3.26Å; S427-E429 PolarHBondContact OG-N 2.75Å; S427-E429 VanDerWaalsContact OG-N 3.07Å |
| 428 | W | 95.4 | Very high | 80.3 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 24% | 0.242 | 40% | 0.401 | C | S | . | . | trans | -107.7 | 22.4 | 166.6 | 57.4 | 88.4 | 0 | 0 | 0 | 110.8 | M320 A324 E328 R329 C331 L387 K430 | M320-W428 HydrophobicContact CB-CH2 4.43Å; M320-W428 HydrophobicContact CB-CZ3 4.11Å; M320-W428 HydrophobicContact CE-CE3 3.88Å; M320-W428 HydrophobicContact CE-CZ3 4.06Å; M320-W428 HydrophobicContact CG-CZ3 4.07Å; A324-W428 HydrophobicContact CB-CZ2 3.94Å; E328-W428 PolarHBondContact O-NE1 2.98Å; E328-W428 VanDerWaalsContact O-NE1 3.16Å; R329-W428 PolarHBondContact O-N 3.04Å; R329-W428 VanDerWaalsContact O-N 3.09Å; C331-W428 HydrophobicContact CB-CH2 3.67Å; C331-W428 HydrophobicContact CB-CZ3 3.55Å; L387-W428 HydrophobicContact CD2-CB 4.07Å; W428-K430 PolarHBondContact O-N 3.44Å | ||
| 429 | E | 91.1 | Very high | 78.4 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | trans | -59.2 | 111.9 | 172 | -171.9 | 176.5 | -151.1 | 0 | 0 | 109 | R329 K389 S427 E431 | R329-E429 HydrophobicContact CB-CB 4Å; R329-E429 HydrophobicContact CB-CG 4.34Å; R329-E429 PolarHBondContact O-N 3.45Å; K389-E429 IonicContact NZ-OE2 2.69Å; K389-E429 PolarHBondContact NZ-OE2 3.15Å; S427-E429 WeakPolarHBondContact OG-CB 3.26Å; S427-E429 PolarHBondContact OG-N 2.75Å; S427-E429 VanDerWaalsContact OG-N 3.07Å; E429-E431 PolarHBondContact O-N 3.26Å | ||
| 430 | K | 84.8 | Confident | 76.3 | Confident | 161 Ų | 161 | 90.2 Ų | 90.2 | 70% | 0.7 | 44% | 0.441 | S | S | * | . | trans | -68.6 | 80.3 | 164.6 | -170.5 | -159.7 | 179 | -163.4 | 0 | 107.9 | W428 E432 | W428-K430 PolarHBondContact O-N 3.44Å; K430-E432 HydrophobicContact CD-CG 3.95Å; K430-E432 WeakPolarHBondContact CE-OE1 3.19Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.63Å; K430-E432 PolarHBondContact NZ-OE1 2.8Å; K430-E432 PolarHBondContact O-N 2.7Å | ||
| 431 | E | 69.5 | Low | 74.4 | Confident | 125 Ų | 125 | 93.3 Ų | 93.3 | 58% | 0.584 | 46% | 0.455 | S | S | * | . | trans | -58.6 | 86.4 | 164.7 | 177.8 | -177.7 | -133 | 0 | 0 | 108.1 | K388 E429 | K388-E431 IonicContact NZ-OE2 3.49Å; K388-E431 PolarHBondContact NZ-OE2 2.89Å; E429-E431 PolarHBondContact O-N 3.26Å | ||
| 432 | E | 55.8 | Low | 72.6 | Confident | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | trans | -65.9 | 152.5 | 168.2 | -60.1 | -164 | 141.8 | 0 | 0 | 109.3 | K430 K434 | K430-E432 HydrophobicContact CD-CG 3.95Å; K430-E432 WeakPolarHBondContact CE-OE1 3.19Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.63Å; K430-E432 PolarHBondContact NZ-OE1 2.8Å; K430-E432 PolarHBondContact O-N 2.7Å; E432-K434 PolarHBondContact O-N 3.29Å | ||
| 433 | G | 53.4 | Low | 70.4 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 86% | 0.856 | 52% | 0.523 | S | S | * | . | trans | -68.1 | 42.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S435 | G433-S435 PolarHBondContact O-N 3.09Š| ||
| 434 | K | 54.6 | Low | 68.3 | Low | 186 Ų | 186 | 112.2 Ų | 112.2 | 81% | 0.809 | 56% | 0.562 | S | S | * | * | trans | -65.9 | 70.8 | 155.6 | -68.3 | -175.7 | -177.9 | 177.2 | 0 | 109 | E432 R436 | E432-K434 PolarHBondContact O-N 3.29Å; K434-R436 PolarHBondContact O-N 2.98Å | ||
| 435 | S | 51.1 | Low | 66.4 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | trans | -41.8 | 128.2 | 143.3 | 177.8 | 0 | 0 | 0 | 0 | 107 | G433 H437 | G433-S435 PolarHBondContact O-N 3.09Å; S435-H437 PolarHBondContact O-N 3.42Å | ||
| 436 | R | 58.6 | Low | 64.7 | Low | 220 Ų | 220 | 124.3 Ų | 124.3 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | trans | -68.9 | 81.2 | 172.7 | -64.9 | -179.6 | -172.5 | 150.4 | 0.9 | 106.5 | K434 V438 | K434-R436 PolarHBondContact O-N 2.98Å; R436-V438 PolarHBondContact O-N 2.74Å | ||
| 437 | H | 58.7 | Low | 62.5 | Low | 173 Ų | 173 | 128.2 Ų | 128.2 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | trans | -71.8 | 80.8 | -173 | -168.1 | 99.2 | 0 | 0 | 0 | 108.4 | S435 | S435-H437 PolarHBondContact O-N 3.42Š| ||
| 438 | V | 56.3 | Low | 60.7 | Low | 86 Ų | 86 | 135.2 Ų | 135.2 | 52% | 0.521 | 69% | 0.691 | S | S | . | * | trans | 23.9 | 93.3 | -167.1 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | R436 F440 | R436-V438 PolarHBondContact O-N 2.74Å; V438-F440 HydrophobicContact CB-CD2 4.04Å; V438-F440 HydrophobicContact CB-CE2 3.78Å; V438-F440 HydrophobicContact CB-CZ 4.23Å; V438-F440 HydrophobicContact CG1-CD1 4.05Å; V438-F440 HydrophobicContact CG1-CD2 3.79Å; V438-F440 HydrophobicContact CG1-CE1 3.98Å; V438-F440 HydrophobicContact CG1-CE2 3.72Å; V438-F440 HydrophobicContact CG1-CG 3.96Å; V438-F440 HydrophobicContact CG1-CZ 3.82Å; V438-F440 VanDerWaalsContact O-CD2 3.28Å; V438-F440 WeakPolarHBondContact O-CD2 3.28Å; V438-F440 PolarHBondContact O-N 2.74Å | ||
| 439 | D | 53.5 | Low | 58.5 | Low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -56.2 | 92.5 | 155.4 | -81.1 | -55.7 | 0 | 0 | 0 | 107 | Q441 | D439-Q441 PolarHBondContact O-N 2.7Š| ||
| 440 | F | 49 | Very low | 56.6 | Low | 173 Ų | 173 | 138.9 Ų | 138.9 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -67.6 | 80.5 | 166.3 | -77.2 | -80 | 0 | 0 | 0 | 105.7 | V438 C442 | V438-F440 HydrophobicContact CB-CD2 4.04Å; V438-F440 HydrophobicContact CB-CE2 3.78Å; V438-F440 HydrophobicContact CB-CZ 4.23Å; V438-F440 HydrophobicContact CG1-CD1 4.05Å; V438-F440 HydrophobicContact CG1-CD2 3.79Å; V438-F440 HydrophobicContact CG1-CE1 3.98Å; V438-F440 HydrophobicContact CG1-CE2 3.72Å; V438-F440 HydrophobicContact CG1-CG 3.96Å; V438-F440 HydrophobicContact CG1-CZ 3.82Å; V438-F440 VanDerWaalsContact O-CD2 3.28Å; V438-F440 WeakPolarHBondContact O-CD2 3.28Å; V438-F440 PolarHBondContact O-N 2.74Å; F440-C442 PolarHBondContact O-N 2.74Å | ||
| 441 | Q | 55.9 | Low | 55.1 | Low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -60.2 | 88.5 | 168.7 | -175.2 | 178.5 | 47.9 | 0 | 0 | 106 | D439 V443 | D439-Q441 PolarHBondContact O-N 2.7Å; Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 2.72Å | ||
| 442 | C | 59.9 | Low | 54.3 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -57 | 98.6 | 179.9 | -73.7 | 0 | 0 | 0 | 0 | 107.4 | F440 K444 | F440-C442 PolarHBondContact O-N 2.74Å; C442-K444 PolarHBondContact O-N 2.96Å | ||
| 443 | V | 50.3 | Low | 54.2 | Low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -54.6 | 113.7 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 105.2 | Q441 S445 | Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 2.72Å; V443-S445 VanDerWaalsContact C-N 3.29Å; V443-S445 PolarHBondContact O-N 2.74Å | ||
| 444 | K | 53.7 | Low | 54.1 | Low | 198 Ų | 198 | 133.7 Ų | 133.7 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -60.2 | 94.5 | -174.2 | -91.9 | -177.5 | 172.7 | 175.6 | 0 | 109.2 | C442 K446 | C442-K444 PolarHBondContact O-N 2.96Å; K444-K446 PolarHBondContact O-N 2.85Å | ||
| 445 | S | 56 | Low | 53.9 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -57.6 | 123.9 | 171.5 | 40.6 | 0 | 0 | 0 | 0 | 107 | V443 S447 | V443-S445 VanDerWaalsContact C-N 3.29Å; V443-S445 PolarHBondContact O-N 2.74Å; S445-S447 PolarHBondContact O-N 2.71Å | ||
| 446 | K | 59.4 | Low | 53.8 | Low | 202 Ų | 202 | 128.2 Ų | 128.2 | 88% | 0.878 | 72% | 0.717 | S | S | * | * | trans | -78.4 | 51.2 | 179.5 | -67.2 | -176 | 178.3 | 178.9 | 0 | 110.9 | K444 I448 | K444-K446 PolarHBondContact O-N 2.85Å; K446-I448 VanDerWaalsContact C-N 3.32Å; K446-I448 PolarHBondContact O-N 3.04Å | ||
| 447 | S | 51.6 | Low | 53.5 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | trans | -74.4 | 87.3 | 167.6 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | S445 T449 | S445-S447 PolarHBondContact O-N 2.71Å; S447-T449 PolarHBondContact O-N 3.26Å | ||
| 448 | I | 55.8 | Low | 52.7 | Low | 148 Ų | 148 | 123.1 Ų | 123.1 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -73.4 | 82.2 | 167.2 | -61.7 | 178 | 0 | 0 | 0 | 107.2 | K446 N450 | K446-I448 VanDerWaalsContact C-N 3.32Å; K446-I448 PolarHBondContact O-N 3.04Å; I448-N450 VanDerWaalsContact C-N 3.34Å; I448-N450 PolarHBondContact O-N 2.94Å | ||
| 449 | T | 50.3 | Low | 51.7 | Low | 100 Ų | 100 | 124.7 Ų | 124.7 | 61% | 0.613 | 72% | 0.723 | S | S | * | * | trans | -92.9 | 69.7 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 109.4 | S447 L451 | S447-T449 PolarHBondContact O-N 3.26Å; T449-L451 HydrophobicContact CG2-CD1 3.73Å; T449-L451 PolarHBondContact O-N 3.12Å | ||
| 450 | N | 49.7 | Very low | 51 | Low | 120 Ų | 120 | 127.5 Ų | 127.5 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | -74.9 | 74.1 | 173.4 | -103.9 | -17.6 | 0 | 0 | 0 | 110 | I448 A452 A453 | I448-N450 VanDerWaalsContact C-N 3.34Å; I448-N450 PolarHBondContact O-N 2.94Å; N450-A452 PolarHBondContact O-N 3.29Å; N450-A452 VanDerWaalsContact O-N 3.12Å; N450-A453 HydrophobicContact CB-CB 4.46Å; N450-A453 WeakPolarHBondContact O-CB 3.46Å; N450-A453 PolarHBondContact O-N 3.26Å | ||
| 451 | L | 53.6 | Low | 50.4 | Low | 137 Ų | 137 | 126.2 Ų | 126.2 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -55.9 | -30.6 | -178.1 | -136.3 | 74.4 | 0 | 0 | 0 | 112.4 | T449 A453 A454 | T449-L451 HydrophobicContact CG2-CD1 3.73Å; T449-L451 PolarHBondContact O-N 3.12Å; L451-A453 PolarHBondContact O-N 2.89Å; L451-A454 PolarHBondContact O-N 2.95Å |
| 452 | A | 53.5 | Low | 49.5 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -62.9 | -22.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N450 | N450-A452 PolarHBondContact O-N 3.29Å; N450-A452 VanDerWaalsContact O-N 3.12Å |
| 453 | A | 54.1 | Low | 48.3 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -82.3 | -28.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N450 L451 A455 | N450-A453 HydrophobicContact CB-CB 4.46Å; N450-A453 WeakPolarHBondContact O-CB 3.46Å; N450-A453 PolarHBondContact O-N 3.26Å; L451-A453 PolarHBondContact O-N 2.89Å; A453-A455 VanDerWaalsContact C-N 3.34Å |
| 454 | A | 50.6 | Low | 47.6 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -79.4 | -16.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L451 | L451-A454 PolarHBondContact O-N 2.95Å |
| 455 | A | 49.6 | Very low | 46.6 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -1.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A453 | A453-A455 VanDerWaalsContact C-N 3.34Š|
| 456 | A | 50.6 | Low | 45.5 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -98.4 | -4.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 457 | D | 50.6 | Low | 44.1 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -130.5 | 55.6 | -164.6 | -146.6 | 0.8 | 0 | 0 | 0 | 112.2 | ||||
| 458 | I | 41.8 | Very low | 43.7 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -118.3 | 105.1 | 170.5 | -60.8 | 176.4 | 0 | 0 | 0 | 108.1 | Q460 | I458-Q460 PolarHBondContact O-N 3.29Š| ||
| 459 | P | 36.3 | Very low | 42.4 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -63.9 | 126.2 | 175.7 | -23.2 | 34.7 | 0 | 0 | 0 | 111.6 | D461 | P459-D461 PolarHBondContact O-N 3.37Š| ||
| 460 | Q | 39.5 | Very low | 42 | Very low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 79.3 | -168 | -172.2 | 171 | -6.9 | 0 | 0 | 112.2 | I458 | I458-Q460 PolarHBondContact O-N 3.29Š| ||
| 461 | D | 35.9 | Very low | 41 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -154.1 | 82.1 | 171.4 | -154.7 | -2.1 | 0 | 0 | 0 | 115 | P459 | P459-D461 PolarHBondContact O-N 3.37Š| ||
| 462 | Q | 36.8 | Very low | 40 | Very low | 197 Ų | 197 | 130.4 Ų | 130.4 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -167.8 | 138.9 | 136.5 | -112.5 | 161.1 | 80.3 | 0 | 0 | 113.1 | ||||
| 463 | L | 35.7 | Very low | 39 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -97 | 143.1 | -179.6 | -176.8 | 83.3 | 0 | 0 | 0 | 110.6 | ||||
| 464 | V | 35 | Very low | 38.1 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -179.6 | 148.5 | 135.3 | 143.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 465 | N | 32.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -63.1 | 161.1 | -173.7 | -51.1 | -9.7 | 0 | 0 | 0 | 115.5 | ||||
| 466 | M | 33.4 | Very low | 36.9 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | -167.8 | 151.5 | 110.6 | -95.3 | -57.6 | -80.9 | 0 | 0 | 112.5 | |||||
| 467 | H | 28.9 | Very low | 36.1 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -118.2 | 177.1 | 172.2 | -69.4 | -73.1 | 0 | 0 | 0 | 109.2 | ||||
| 468 | P | 42.3 | Very low | 35.4 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | -125.9 | -168.4 | -6 | 27.3 | -3.1 | 0 | 0 | 0 | 113.8 | ||||
| 469 | G | 28.6 | Very low | 35.3 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -81.5 | -161 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 470 | P | 41.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -146.4 | 169.9 | 77.3 | 42.8 | -27.5 | 0 | 0 | 0 | 117.7 | |||||
| 471 | Q | 29.4 | Very low | 35.2 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 16.2 | 146.2 | 137.7 | -63.8 | 169.9 | -34.7 | 0 | 0 | 120.1 | ||||
| 472 | V | 32.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -137.6 | 174.2 | 6.9 | -85.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 473 | D | 33.4 | Very low | 34.9 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | -163.7 | 176.6 | 46.6 | -153.7 | -1.8 | 0 | 0 | 0 | 113.4 | ||||
| 474 | E | 34.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -114 | 173.3 | -158.8 | -150.1 | 171.6 | 114.5 | 0 | 0 | 116.6 | ||||
| 475 | L | 39.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -34.9 | 169.2 | 172 | -63.9 | 165 | 0 | 0 | 0 | 118.2 | ||||
| 476 | D | 35 | Very low | 35 | Very low | 123 Ų | 123 | 151 Ų | 151 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | cis | 179.8 | 173.2 | -21.5 | -172.9 | 15.5 | 0 | 0 | 0 | 108.3 | ||||
| 477 | I | 34.8 | Very low | 35.5 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | 60.6 | 118.4 | 159.1 | -71.5 | 156.3 | 0 | 0 | 0 | 120.9 | ||||
| 478 | Q | 34.8 | Very low | 36.2 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 24.6 | 155.3 | 136.3 | -65.3 | -169.8 | -51.4 | 0 | 0 | 123 | ||||
| 479 | P | 39 | Very low | 36.4 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -141.4 | -166 | 31.5 | 42.3 | -21.1 | 0 | 0 | 0 | 117.3 | ||||
| 480 | Q | 36.1 | Very low | 37.4 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -65.5 | 161.1 | 179.3 | -70.7 | -173.2 | -25.6 | 0 | 0 | 114.6 | ||||
| 481 | P | 37.6 | Very low | 37.7 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | -128.6 | 157.6 | 120.7 | 37.9 | -33.1 | 0 | 0 | 0 | 114.6 | Y483 | P481-Y483 HydrophobicContact CG-CE2 4.07Š| |||
| 482 | S | 34.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 147.7 | 171.2 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 483 | Y | 33.1 | Very low | 39.9 | Very low | 211 Ų | 211 | 147 Ų | 147 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 141.4 | 163.1 | -82.4 | -77.1 | 0 | 0 | 0 | 112.8 | P481 | P481-Y483 HydrophobicContact CG-CE2 4.07Š| ||
| 484 | H | 31.8 | Very low | 40.6 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 155.5 | 172.5 | -90 | -120 | 0 | 0 | 0 | 111.8 | ||||
| 485 | Y | 36.3 | Very low | 41.4 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -105.6 | 128.2 | 151 | -111 | -94.5 | 0 | 0 | 0 | 108 | ||||
| 486 | E | 36.3 | Very low | 41.8 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 145 | 156.3 | -80.6 | -160.4 | 115.3 | 0 | 0 | 109.4 | ||
| 487 | P | 44.5 | Very low | 42.1 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 135.5 | 169.4 | 34.2 | -30.5 | 0 | 0 | 0 | 111.5 | ||
| 488 | D | 43.2 | Very low | 42.5 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 124.8 | 176.2 | -167.4 | 15.6 | 0 | 0 | 0 | 111.2 | D490 | D488-D490 PolarHBondContact O-N 3.49Š|
| 489 | P | 46.9 | Very low | 43 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | trans | -98.4 | 79.4 | -168.2 | 37.6 | -35.7 | 0 | 0 | 0 | 114.4 | ||||
| 490 | D | 49.9 | Very low | 43.2 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | trans | -163.1 | 90.1 | 154.3 | -113.4 | -23.9 | 0 | 0 | 0 | 114.2 | D488 | D488-D490 PolarHBondContact O-N 3.49Š| ||
| 491 | A | 48 | Very low | 43.6 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | trans | -158.4 | 117.4 | 165 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 492 | P | 55.3 | Low | 44 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 142.7 | -177.4 | 31.2 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 493 | S | 52.3 | Low | 44.7 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -78 | 151.3 | -179 | -46.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 494 | P | 48.5 | Very low | 45.6 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 145.3 | 162.4 | 31.4 | -34 | 0 | 0 | 0 | 110.7 | ||
| 495 | A | 52.3 | Low | 46.8 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 165.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 496 | V | 47.8 | Very low | 47.7 | Very low | 219 Ų | 219 | 137.7 Ų | 137.7 | 100% | 1.327 | 86% | 0.859 | S | S | * | * | trans | -78.8 | 0 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 496 of 496 residues in 1279.9 ms
(Link to these results)