| 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 | 45.3 | Very low | 44.6 | Very low | 255 Ų | 255 | 154 Ų | 154 | 100% | 1.256 | 86% | 0.855 | S | S | * | * | 0 | 149.1 | 0 | -73.7 | 172.1 | 168 | 0 | 0 | 107.9 | |||||
| 2 | A | 44.4 | Very low | 45.4 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | trans | -146.6 | 133.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | T | 50 | Low | 45.5 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 87% | 0.871 | 85% | 0.85 | S | S | * | * | trans | -160.2 | 137 | 167.2 | 29.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 4 | E | 44.4 | Very low | 46.2 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | cis | 110.6 | 92.6 | 20.7 | -173.8 | 107.9 | 110.5 | 0 | 0 | 112.4 | ||||
| 5 | Q | 45.3 | Very low | 45.9 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | 57.7 | 109.3 | 139.6 | -55 | -173.2 | 54 | 0 | 0 | 123.9 | ||||
| 6 | A | 46.8 | Very low | 45.7 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | 84.9 | 153.6 | 109 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 7 | R | 40.8 | Very low | 45.6 | Very low | 255 Ų | 255 | 141.4 Ų | 141.4 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | trans | 67.8 | 146.7 | 174.2 | -65.6 | 174.4 | 159.3 | 176.1 | -7.2 | 115.6 | ||||
| 8 | G | 37.9 | Very low | 46.1 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | -157 | -167.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 9 | Q | 47.9 | Very low | 45.9 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | cis | -148.3 | 166.7 | 6.8 | -55.8 | 177.2 | 41.2 | 0 | 0 | 109.1 | ||||
| 10 | H | 43.3 | Very low | 46.4 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 94% | 0.935 | 84% | 0.843 | S | S | * | * | trans | -135 | 133.4 | 170.1 | -156.8 | 61.2 | 0 | 0 | 0 | 107.7 | ||||
| 11 | G | 44 | Very low | 46.9 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -137.5 | 133.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | P | 54.9 | Low | 47.3 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -97.9 | 160.3 | -174.2 | 37.8 | -35.7 | 0 | 0 | 0 | 114.4 | ||||
| 13 | D | 46.3 | Very low | 47.3 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -56.6 | 159.4 | 161.2 | -64.6 | -89.3 | 0 | 0 | 0 | 112.7 | ||||
| 14 | P | 54.9 | Low | 46.7 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -150.7 | 161 | 106.7 | 39.2 | -23.5 | 0 | 0 | 0 | 118.1 | |||||
| 15 | A | 41.5 | Very low | 46.5 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 86.8 | 100.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 16 | T | 43.1 | Very low | 46.3 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | 63.7 | 124.8 | 111 | -47.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 17 | G | 44 | Very low | 46.2 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 153.5 | 123.5 | 148 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | P | 54.9 | Low | 46.6 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -112.9 | 156.8 | -175.9 | 39.7 | -32.3 | 0 | 0 | 0 | 115.5 | ||||
| 19 | Q | 42.2 | Very low | 46.7 | Very low | 207 Ų | 207 | 135.2 Ų | 135.2 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | trans | -138.8 | 160.2 | 158.4 | -72.4 | -160.4 | -4.8 | 0 | 0 | 112.5 | ||||
| 20 | K | 55.6 | Low | 46.2 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 163 | -168 | -115.8 | -159.2 | 174.2 | -175.6 | 0 | 112.9 | ||
| 21 | P | 56.8 | Low | 45.8 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 163.1 | 173.8 | 37.6 | -33.9 | 0 | 0 | 0 | 113.3 | ||
| 22 | P | 55.1 | Low | 45.4 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 165.2 | 163.5 | 34.9 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 23 | A | 43.8 | Very low | 44.3 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -143.3 | 158 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | G | 37.5 | Very low | 43.9 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 161.7 | 95.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 25 | V | 40.5 | Very low | 44.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 68.3 | 97.6 | 61.5 | -175 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 26 | V | 41.3 | Very low | 45.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | -166.3 | 148.6 | 117.3 | -91.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 27 | T | 44 | Very low | 44.8 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -128 | 162.4 | 160.1 | 64 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 28 | P | 49.9 | Very low | 44.4 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -156.8 | -179 | 83.4 | 41.8 | -20.8 | 0 | 0 | 0 | 117.7 | |||||
| 29 | K | 40.2 | Very low | 43.4 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -29.1 | 150.7 | 167.9 | -60.7 | 175.7 | 160.3 | -158.7 | 0 | 121.6 | ||||
| 30 | S | 37.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | -158.2 | 140.4 | 117.7 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 31 | D | 33.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 61.9 | 130.9 | 57.6 | -60.5 | -75.3 | 0 | 0 | 0 | 111.8 | |||||
| 32 | A | 37.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | cis | -166.3 | -158.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 33 | E | 31.8 | Very low | 40.3 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 76 | 107.1 | 161.5 | -65.6 | -175.4 | 82 | 0 | 0 | 122.3 | ||||
| 34 | E | 37.6 | Very low | 40 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -93.5 | 176.1 | 134.7 | -126.3 | -154.3 | 133.1 | 0 | 0 | 108.2 | ||||
| 35 | P | 65.8 | Low | 39.9 | Very low | 98 Ų | 98 | 150.4 Ų | 150.4 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -122.5 | -109 | -14.6 | 25.8 | -0.9 | 0 | 0 | 0 | 110.3 | ||||
| 36 | P | 60.7 | Low | 39.8 | Very low | 96 Ų | 96 | 154.5 Ų | 154.5 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | -126.8 | -163.6 | -50.3 | 28.1 | -5.2 | 0 | 0 | 0 | 114.1 | |||||
| 37 | L | 32 | Very low | 39.3 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 83.9 | 139.7 | 161.9 | -46 | -177.8 | 0 | 0 | 0 | 117.1 | ||||
| 38 | T | 34.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -161.1 | 147.7 | -9.3 | 16.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 39 | R | 35.1 | Very low | 38.1 | Very low | 228 Ų | 228 | 158.4 Ų | 158.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 43.4 | 126.8 | 141.6 | -63.1 | 167.9 | 162.2 | -178.3 | -4.9 | 120.9 | ||||
| 40 | K | 35.2 | Very low | 37.5 | Very low | 212 Ų | 212 | 153.1 Ų | 153.1 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | -173.8 | 155.4 | 104.9 | -101.3 | 161.8 | -172.9 | 172 | 0 | 115.8 | |||||
| 41 | R | 34.6 | Very low | 37.4 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -72.2 | 155.5 | -176.2 | -56.8 | 161.1 | 158.9 | -170.5 | -6.3 | 115 | ||||
| 42 | S | 36.3 | Very low | 37.5 | Very low | 110 Ų | 110 | 157 Ų | 157 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 161.3 | 120.2 | 108 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 43 | K | 38.5 | Very low | 37.4 | Very low | 187 Ų | 187 | 161.8 Ų | 161.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | 60.9 | 100.1 | 67.7 | -169 | 175.8 | -177.7 | 172.3 | 0 | 115.6 | |||||
| 44 | K | 37.2 | Very low | 37.5 | Very low | 210 Ų | 210 | 162.6 Ų | 162.6 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -149.3 | 167.8 | 141.5 | -154.6 | 166.2 | 179.1 | -176.5 | 0 | 111 | ||||
| 45 | E | 35.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 160.4 Ų | 160.4 | 53% | 0.528 | 78% | 0.781 | S | S | . | * | trans | -151.2 | 160.7 | -159.2 | -174.8 | -158.4 | 117.4 | 0 | 0 | 109.2 | ||||
| 46 | R | 38.4 | Very low | 35.5 | Very low | 222 Ų | 222 | 159.2 Ų | 159.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 148.5 | 169.6 | -49 | 178.4 | -175.3 | -141.7 | -18.1 | 116.6 | ||||
| 47 | G | 30.7 | Very low | 34.3 | Very low | 65 Ų | 65 | 159.8 Ų | 159.8 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | -170.5 | 147.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 48 | L | 34.2 | Very low | 34.3 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | 72.3 | 121.6 | 84.8 | -94.2 | 173.8 | 0 | 0 | 0 | 116.9 | |||||
| 49 | R | 33.5 | Very low | 34.1 | Very low | 244 Ų | 244 | 156.2 Ų | 156.2 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 74.3 | 142.8 | 171.6 | -58.4 | 176.1 | 161.9 | -140.1 | -1.9 | 117 | ||||
| 50 | G | 28.7 | Very low | 33.9 | Very low | 72 Ų | 72 | 153.3 Ų | 153.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | cis | 136.9 | 169.2 | -16.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 51 | S | 34.7 | Very low | 33.9 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 88.1 | 110.6 | 161.8 | -64.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 52 | R | 35.4 | Very low | 33.9 | Very low | 216 Ų | 216 | 144.2 Ų | 144.2 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | 80.4 | 126 | 116.8 | -70.6 | 175.7 | 168 | -175.5 | -2.8 | 123.3 | |||||
| 53 | K | 34.3 | Very low | 33.5 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 157.4 | 138.9 | -67.2 | -171.8 | 172.2 | -168.8 | 0 | 116.5 | ||||
| 54 | R | 35.1 | Very low | 34.4 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | cis | -152.4 | 159.9 | 33.6 | -58 | 171.2 | 67.8 | 156.5 | 2 | 113.8 | ||||
| 55 | T | 31.3 | Very low | 34.1 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 43.4 | 139.1 | 141.2 | 54 | 0 | 0 | 0 | 0 | 120 | ||||
| 56 | G | 30 | Very low | 34 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | 146.7 | 179.3 | 26.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 57 | S | 34.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -169.9 | 148.9 | -3.4 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 58 | S | 31.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 63.1 | 148.6 | 157.8 | -47.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 59 | G | 30.8 | Very low | 34.3 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | 166.8 | 165.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 60 | E | 32 | Very low | 34.1 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 62.4 | 144.4 | 145.3 | -70.8 | 173.1 | 98.9 | 0 | 0 | 120.3 | ||||
| 61 | Q | 35 | Very low | 34.3 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | cis | -166.7 | 168.2 | -6.7 | -135.6 | 172.8 | 54.6 | 0 | 0 | 112 | ||||
| 62 | S | 33.6 | Very low | 34.2 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 75.8 | 141.6 | 148.4 | -59.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 63 | G | 28.9 | Very low | 35.4 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -110 | -139.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 64 | P | 56.6 | Low | 36.2 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -142.4 | -160.3 | 3.6 | 42.3 | -21.1 | 0 | 0 | 0 | 115.7 | ||||
| 65 | E | 30.1 | Very low | 36.2 | Very low | 191 Ų | 191 | 121.3 Ų | 121.3 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 86 | 162.5 | 157.2 | -75.3 | -174.7 | 97.5 | 0 | 0 | 122.8 | ||||
| 66 | A | 34.5 | Very low | 36.2 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -135.3 | -149 | -166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 67 | P | 45.2 | Very low | 36.3 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | cis | -133.1 | -170.7 | -0.8 | 43.8 | -25.6 | 0 | 0 | 0 | 115.1 | ||||
| 68 | G | 31.3 | Very low | 36.2 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 168.9 | 95.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 69 | S | 32.1 | Very low | 36 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -30.3 | 135 | 172.9 | -55.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 70 | S | 31.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 53.6 | 123.7 | 115.7 | -156.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 71 | N | 33 | Very low | 37.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | 174.5 | 165 | 112.9 | -90.1 | -6.5 | 0 | 0 | 0 | 115.2 | |||||
| 72 | N | 30.6 | Very low | 37 | Very low | 147 Ų | 147 | 120.8 Ų | 120.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -163.8 | 173.9 | -175.7 | -154.3 | 16.7 | 0 | 0 | 0 | 108.6 | ||||
| 73 | P | 61.1 | Low | 36.9 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -108.6 | -102.5 | -24.3 | 15.9 | 10.5 | 0 | 0 | 0 | 110.5 | ||||
| 74 | P | 52.6 | Low | 38.4 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | cis | -139.1 | 162 | -37 | 40.6 | -22.8 | 0 | 0 | 0 | 118.6 | ||||
| 75 | R | 34.5 | Very low | 38.1 | Very low | 223 Ų | 223 | 122.8 Ų | 122.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 69.3 | 157.8 | 151.1 | -72.9 | 175.5 | 154.4 | -104.6 | -1.2 | 118.8 | ||||
| 76 | T | 31.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -161 | 152.7 | -5 | 7.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | G | 31.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 73.4 | 168.2 | 150 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 78 | E | 31.6 | Very low | 38.4 | Very low | 205 Ų | 205 | 119.3 Ų | 119.3 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | cis | -161.3 | 168.3 | -16.6 | -110.5 | 172.6 | 121 | 0 | 0 | 108.5 | ||||
| 79 | G | 28.6 | Very low | 38.3 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -119 | -155.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 80 | P | 53.8 | Low | 38.8 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -107.6 | -137.6 | -13.9 | 16.7 | 8.9 | 0 | 0 | 0 | 110.8 | ||||
| 81 | V | 33.3 | Very low | 38.8 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | cis | -155.8 | 169 | 11.5 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | G | 31.2 | Very low | 39 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 139.5 | 137.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 83 | A | 31.9 | Very low | 39.3 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -171 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 84 | P | 59.4 | Low | 38.3 | Very low | 120 Ų | 120 | 122 Ų | 122 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -106 | -118.9 | -27.5 | 42 | -27.7 | 0 | 0 | 0 | 107.1 | ||||
| 85 | P | 51.7 | Low | 37.6 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -96.7 | -159.6 | -21.6 | 44.6 | -35.3 | 0 | 0 | 0 | 110.6 | ||||
| 86 | A | 31.2 | Very low | 37.8 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -144.2 | 169.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 87 | S | 38.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -112.5 | 177.4 | -175.9 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 88 | P | 45.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | cis | -141.1 | 174.4 | 12 | 43.5 | -25 | 0 | 0 | 0 | 118.2 | ||||
| 89 | G | 29.9 | Very low | 39.2 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -153.2 | 132.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 90 | P | 42.1 | Very low | 39.7 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -93.9 | 135.5 | -172 | 34.4 | -33.2 | 0 | 0 | 0 | 113.7 | ||||
| 91 | A | 31.7 | Very low | 39.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -148.1 | 124.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | S | 36.8 | Very low | 39.8 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | trans | -71.7 | 147.5 | -176.1 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 93 | S | 36.3 | Very low | 41 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -105.3 | 125.7 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 94 | R | 41.4 | Very low | 41.7 | Very low | 227 Ų | 227 | 137.7 Ų | 137.7 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | 71.6 | 156.1 | 167.7 | -60.2 | 158.2 | -171.7 | -159.1 | -1.6 | 113.5 | ||||
| 95 | Q | 37.2 | Very low | 41.1 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | cis | -141.9 | 148.3 | 22.2 | -149.6 | 167.2 | -15.1 | 0 | 0 | 113.9 | ||||
| 96 | S | 38.4 | Very low | 41 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | -5.9 | 131.5 | 164.5 | 56.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 97 | H | 40.1 | Very low | 41.9 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | -159.4 | 63.6 | 117 | -97.9 | -68.7 | 0 | 0 | 0 | 110.7 | |||||
| 98 | R | 41.3 | Very low | 42.3 | Very low | 243 Ų | 243 | 126.7 Ų | 126.7 | 92% | 0.917 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 123.1 | 160.3 | -115.3 | -177.7 | 179.1 | 174.7 | -2 | 107.2 | R100 | R98-R100 PolarHBondContact O-N 2.83Š|
| 99 | H | 43.5 | Very low | 42.6 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 82% | 0.819 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.2 | 159.6 | -82.7 | -105.9 | 0 | 0 | 0 | 107.5 | P101 | H99-P101 WeakPolarHBondContact O-CD 3.46Š|
| 100 | R | 40.1 | Very low | 44 | Very low | 222 Ų | 222 | 129 Ų | 129 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.4 | 154.5 | -91.5 | -177.9 | 149.5 | -162.2 | -9.9 | 105.7 | R98 | R98-R100 PolarHBondContact O-N 2.83Š|
| 101 | P | 44.9 | Very low | 44.5 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 145.2 | 153.6 | 28.8 | -32.9 | 0 | 0 | 0 | 107.6 | H99 S103 | H99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-S103 PolarHBondContact O-N 2.74Å; P101-S103 VanDerWaalsContact O-N 3.09Å |
| 102 | D | 43.6 | Very low | 45.6 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.4 | 177.7 | -167.8 | -32.3 | 0 | 0 | 0 | 108.4 | R104 H105 D106 | D102-R104 PolarHBondContact O-N 3.4Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 PolarHBondContact OD1-N 2.66Å; D102-R104 VanDerWaalsContact OD1-N 3.13Å; D102-H105 HydrophobicContact CB-CB 4Å; D102-H105 WeakPolarHBondContact O-CB 3.42Å; D102-H105 PolarHBondContact O-N 3.02Å; D102-H105 VanDerWaalsContact O-N 3.08Å; D102-D106 PolarHBondContact O-N 3.02Å |
| 103 | S | 55.6 | Low | 46.7 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -5.6 | -169.2 | -47.7 | 0 | 0 | 0 | 0 | 113.1 | P101 | P101-S103 PolarHBondContact O-N 2.74Å; P101-S103 VanDerWaalsContact O-N 3.09Å |
| 104 | R | 48 | Very low | 47.8 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -42.8 | 166.1 | -71.3 | -178.7 | 164.4 | -173.9 | -11.3 | 112.2 | D102 D106 A107 A108 | D102-R104 PolarHBondContact O-N 3.4Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 PolarHBondContact OD1-N 2.66Å; D102-R104 VanDerWaalsContact OD1-N 3.13Å; R104-D106 PolarHBondContact O-N 2.66Å; R104-A107 WeakPolarHBondContact O-CA 3.48Å; R104-A107 WeakPolarHBondContact O-CB 3.26Å; R104-A107 PolarHBondContact O-N 3.1Å; R104-A108 PolarHBondContact O-N 3.25Å |
| 105 | H | 45.2 | Very low | 48.5 | Very low | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 174.6 | -160.4 | -50.3 | 0 | 0 | 0 | 111.4 | D102 A107 Q109 | D102-H105 HydrophobicContact CB-CB 4Å; D102-H105 WeakPolarHBondContact O-CB 3.42Å; D102-H105 PolarHBondContact O-N 3.02Å; D102-H105 VanDerWaalsContact O-N 3.08Å; H105-A107 VanDerWaalsContact C-N 3.28Å; H105-A107 PolarHBondContact O-N 2.94Å; H105-Q109 VanDerWaalsContact O-CB 3.24Å; H105-Q109 WeakPolarHBondContact O-CB 3.13Å; H105-Q109 PolarHBondContact O-N 3.19Å |
| 106 | D | 50.3 | Low | 49.4 | Very low | 58 Ų | 58 | 95.8 Ų | 95.8 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -25.5 | 174.8 | -153.2 | -83.6 | 0 | 0 | 0 | 112.8 | D102 R104 R110 | D102-D106 PolarHBondContact O-N 3.02Å; R104-D106 PolarHBondContact O-N 2.66Å; D106-R110 WeakPolarHBondContact O-CD 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.7Å; D106-R110 PolarHBondContact O-NE 3.16Å; D106-R110 IonicContact OD1-CZ 2.83Å; D106-R110 IonicContact OD1-NE 3.42Å; D106-R110 PolarHBondContact OD1-NE 2.78Å; D106-R110 IonicContact OD1-NH2 3.18Å; D106-R110 PolarHBondContact OD1-NH2 3.17Å |
| 107 | A | 49.8 | Very low | 50.3 | Low | 47 Ų | 47 | 95.9 Ų | 95.9 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78.3 | -53.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R104 H105 Q109 R110 T111 | R104-A107 WeakPolarHBondContact O-CA 3.48Å; R104-A107 WeakPolarHBondContact O-CB 3.26Å; R104-A107 PolarHBondContact O-N 3.1Å; H105-A107 VanDerWaalsContact C-N 3.28Å; H105-A107 PolarHBondContact O-N 2.94Å; A107-Q109 PolarHBondContact O-N 2.83Å; A107-R110 WeakPolarHBondContact O-CB 3.16Å; A107-R110 PolarHBondContact O-N 3.42Å; A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.62Å |
| 108 | A | 47.2 | Very low | 51.1 | Low | 22 Ų | 22 | 93.6 Ų | 93.6 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -52.8 | -43.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R104 R110 T111 Y112 | R104-A108 PolarHBondContact O-N 3.25Å; A108-R110 PolarHBondContact O-N 3.15Å; A108-T111 PolarHBondContact O-N 2.94Å; A108-Y112 HydrophobicContact CB-CD2 3.87Å; A108-Y112 HydrophobicContact CB-CE2 3.82Å; A108-Y112 WeakPolarHBondContact O-CB 3.33Å; A108-Y112 WeakPolarHBondContact O-CD2 3.45Å; A108-Y112 PolarHBondContact O-N 2.81Å |
| 109 | Q | 50.9 | Low | 51.8 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -30.7 | 176 | -160.5 | 76.7 | 62.9 | 0 | 0 | 113.6 | H105 A107 G113 H275 | H105-Q109 VanDerWaalsContact O-CB 3.24Å; H105-Q109 WeakPolarHBondContact O-CB 3.13Å; H105-Q109 PolarHBondContact O-N 3.19Å; A107-Q109 PolarHBondContact O-N 2.83Å; Q109-G113 WeakPolarHBondContact O-CA 3.3Å; Q109-G113 PolarHBondContact O-N 3.13Å; Q109-H275 PolarHBondContact NE2-CE1 3.24Å; Q109-H275 PolarHBondContact NE2-NE2 3.49Å; Q109-H275 PolarHBondContact OE1-CE1 3.04Å; Q109-H275 PolarHBondContact OE1-NE2 2.88Å |
| 110 | R | 58.8 | Low | 52.2 | Low | 177 Ų | 177 | 75.7 Ų | 75.7 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.6 | -39.7 | 177.1 | -69.9 | 161.7 | -168.2 | -101.3 | -3 | 112.3 | D106 A107 A108 P114 | D106-R110 WeakPolarHBondContact O-CD 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.7Å; D106-R110 PolarHBondContact O-NE 3.16Å; D106-R110 IonicContact OD1-CZ 2.83Å; D106-R110 IonicContact OD1-NE 3.42Å; D106-R110 PolarHBondContact OD1-NE 2.78Å; D106-R110 IonicContact OD1-NH2 3.18Å; D106-R110 PolarHBondContact OD1-NH2 3.17Å; A107-R110 WeakPolarHBondContact O-CB 3.16Å; A107-R110 PolarHBondContact O-N 3.42Å; A108-R110 PolarHBondContact O-N 3.15Å; R110-P114 WeakPolarHBondContact O-CD 3Å |
| 111 | T | 53.5 | Low | 52.8 | Low | 38 Ų | 38 | 65.5 Ų | 65.5 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.7 | -49.2 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | A107 A108 L239 L243 M251 | A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.62Å; A108-T111 PolarHBondContact O-N 2.94Å; T111-L239 WeakPolarHBondContact O-CD1 3.38Å; T111-L239 WeakPolarHBondContact O-CD2 3.39Å; T111-L243 HydrophobicContact CG2-CD1 3.76Å; T111-L243 HydrophobicContact CG2-CD2 4.22Å; T111-M251 HydrophobicContact CG2-CG 4.15Å; T111-M251 HydrophobicContact CG2-SD 3.56Å; T111-M251 VanDerWaalsContact CG2-SD 3.56Å |
| 112 | Y | 55.3 | Low | 53.1 | Low | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.6 | -30.4 | 177.9 | -53.1 | -65.4 | 0 | 0 | 0 | 112.5 | A108 L115 L116 M251 V255 M271 | A108-Y112 HydrophobicContact CB-CD2 3.87Å; A108-Y112 HydrophobicContact CB-CE2 3.82Å; A108-Y112 WeakPolarHBondContact O-CB 3.33Å; A108-Y112 WeakPolarHBondContact O-CD2 3.45Å; A108-Y112 PolarHBondContact O-N 2.81Å; Y112-L115 CarbonylContact O-C 3.13Å; Y112-L115 WeakPolarHBondContact O-CA 3.42Å; Y112-L115 WeakPolarHBondContact O-CB 3.24Å; Y112-L115 PolarHBondContact O-N 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.3Å; Y112-L116 PolarHBondContact O-N 2.9Å; Y112-M251 HydrophobicContact CD1-CG 4.38Å; Y112-M251 HydrophobicContact CD1-SD 4.21Å; Y112-M251 HydrophobicContact CE1-CE 4.48Å; Y112-M251 HydrophobicContact CE1-CG 3.31Å; Y112-M251 HydrophobicContact CE1-SD 3.64Å; Y112-M251 VanDerWaalsContact CZ-CG 3.47Å; Y112-M251 WeakPolarHBondContact OH-CG 3.2Å; Y112-M251 PolarHBondContact OH-O 2.9Å; Y112-V255 WeakPolarHBondContact OH-CG2 3.15Å; Y112-M271 HydrophobicContact CD1-SD 4.02Å; Y112-M271 HydrophobicContact CE1-SD 3.63Å |
| 113 | G | 58.9 | Low | 53.5 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -48.2 | -46.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q109 L115 L116 N117 | Q109-G113 WeakPolarHBondContact O-CA 3.3Å; Q109-G113 PolarHBondContact O-N 3.13Å; G113-L115 VanDerWaalsContact C-N 3.35Å; G113-L116 PolarHBondContact O-N 2.9Å; G113-N117 WeakPolarHBondContact O-CB 3.35Å; G113-N117 PolarHBondContact O-N 3.5Å |
| 114 | P | 59.7 | Low | 54 | Low | 62 Ų | 62 | 67.2 Ų | 67.2 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.1 | -33.1 | 177.3 | -18 | 30.3 | 0 | 0 | 0 | 113 | R110 N117 R118 L239 | R110-P114 WeakPolarHBondContact O-CD 3Å; P114-N117 PolarHBondContact O-N 3.02Å; P114-R118 VanDerWaalsContact O-CB 3.24Å; P114-R118 WeakPolarHBondContact O-CB 3.48Å; P114-R118 PolarHBondContact O-N 2.9Å; P114-L239 HydrophobicContact CB-CD2 3.72Å; P114-L239 HydrophobicContact CG-CD2 3.99Å |
| 115 | L | 56.2 | Low | 54.7 | Low | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 174.9 | 167 | 172.3 | 0 | 0 | 0 | 109.9 | Y112 G113 N117 R118 V119 F218 L238 L239 | Y112-L115 CarbonylContact O-C 3.13Å; Y112-L115 WeakPolarHBondContact O-CA 3.42Å; Y112-L115 WeakPolarHBondContact O-CB 3.24Å; Y112-L115 PolarHBondContact O-N 3.31Å; G113-L115 VanDerWaalsContact C-N 3.35Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.98Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 2.88Å; L115-R118 VanDerWaalsContact O-N 3.16Å; L115-V119 HydrophobicContact CD2-CG2 4.47Å; L115-V119 WeakPolarHBondContact O-CB 3.31Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.37Å; L115-V119 PolarHBondContact O-N 2.82Å; L115-F218 HydrophobicContact CD1-CE1 3.91Å; L115-F218 HydrophobicContact CD1-CZ 3.7Å; L115-F218 HydrophobicContact CD2-CZ 4.19Å; L115-F218 HydrophobicContact CG-CZ 4.05Å; L115-L238 HydrophobicContact CB-CB 4.24Å; L115-L238 HydrophobicContact CD1-CB 4.42Å; L115-L238 HydrophobicContact CD1-CD1 4.3Å; L115-L238 HydrophobicContact CG-CB 4.15Å; L115-L238 HydrophobicContact CG-CD1 4.26Å; L115-L239 HydrophobicContact CB-CD2 3.42Å; L115-L239 VanDerWaalsContact CB-CD2 3.42Å; L115-L239 HydrophobicContact CB-CG 4.32Å; L115-L239 VanDerWaalsContact N-CD2 3.31Å |
| 116 | L | 56 | Low | 55.7 | Low | 34 Ų | 34 | 64.4 Ų | 64.4 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 171.9 | -60.5 | 178.9 | 0 | 0 | 0 | 111.3 | Y112 G113 R118 F120 G121 L272 | Y112-L116 WeakPolarHBondContact O-CG 3.3Å; Y112-L116 PolarHBondContact O-N 2.9Å; G113-L116 PolarHBondContact O-N 2.9Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.46Å; L116-F120 HydrophobicContact CD2-CD2 4.06Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 CarbonylContact O-C 3.42Å; L116-F120 VanDerWaalsContact O-CA 3.3Å; L116-F120 WeakPolarHBondContact O-CA 3.33Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.41Å; L116-G121 PolarHBondContact O-N 2.83Å; L116-G121 VanDerWaalsContact O-N 3.15Å; L116-L272 HydrophobicContact CD2-CD2 3.19Å |
| 117 | N | 57.8 | Low | 56.4 | Low | 87 Ų | 87 | 62.4 Ų | 62.4 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.3 | -21.7 | 176.3 | -162.7 | 73.2 | 0 | 0 | 0 | 113 | G113 P114 L115 G121 | G113-N117 WeakPolarHBondContact O-CB 3.35Å; G113-N117 PolarHBondContact O-N 3.5Å; P114-N117 PolarHBondContact O-N 3.02Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.98Å; N117-G121 WeakPolarHBondContact O-CA 3.5Å; N117-G121 PolarHBondContact O-N 2.86Å; N117-G121 VanDerWaalsContact O-N 3.16Å |
| 118 | R | 57.4 | Low | 57 | Low | 137 Ų | 137 | 64.8 Ų | 64.8 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -89.3 | -28.9 | 175.4 | -171.4 | 167.2 | -178.3 | 157.5 | 0.4 | 113.4 | P114 L115 L116 R124 A237 L238 | P114-R118 VanDerWaalsContact O-CB 3.24Å; P114-R118 WeakPolarHBondContact O-CB 3.48Å; P114-R118 PolarHBondContact O-N 2.9Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 2.88Å; L115-R118 VanDerWaalsContact O-N 3.16Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.46Å; R118-R124 WeakPolarHBondContact O-CD 3.45Å; R118-R124 WeakPolarHBondContact O-CG 3.29Å; R118-A237 PolarHBondContact NH1-O 2.99Å; R118-L238 WeakPolarHBondContact CD-O 3.28Å |
| 119 | V | 54.7 | Low | 57.9 | Low | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -91.6 | -37.8 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | L115 R124 A214 L238 | L115-V119 HydrophobicContact CD2-CG2 4.47Å; L115-V119 WeakPolarHBondContact O-CB 3.31Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.37Å; L115-V119 PolarHBondContact O-N 2.82Å; V119-R124 PolarHBondContact O-NH1 3.19Å; V119-A214 HydrophobicContact CG1-CB 3.55Å; V119-L238 HydrophobicContact CG2-CD2 4.04Å |
| 120 | F | 53.2 | Low | 58.7 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -127.2 | 2.2 | -173.1 | -47.5 | -66.8 | 0 | 0 | 0 | 114.4 | L116 L206 L211 A214 L272 | L116-F120 HydrophobicContact CD2-CD2 4.06Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 CarbonylContact O-C 3.42Å; L116-F120 VanDerWaalsContact O-CA 3.3Å; L116-F120 WeakPolarHBondContact O-CA 3.33Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.41Å; F120-L206 HydrophobicContact CB-CD2 4.25Å; F120-L206 HydrophobicContact CD1-CD1 3.84Å; F120-L206 HydrophobicContact CD1-CD2 3.38Å; F120-L206 HydrophobicContact CD1-CG 4.27Å; F120-L206 HydrophobicContact CD2-CD1 4.17Å; F120-L206 HydrophobicContact CE1-CD1 3.96Å; F120-L206 HydrophobicContact CE1-CD2 3.9Å; F120-L206 HydrophobicContact CE2-CD1 4.3Å; F120-L206 HydrophobicContact CG-CD1 3.94Å; F120-L206 HydrophobicContact CG-CD2 3.98Å; F120-L206 HydrophobicContact CZ-CD1 4.19Å; F120-L211 HydrophobicContact CZ-CD2 4.3Å; F120-A214 HydrophobicContact CE1-CB 4.33Å; F120-A214 HydrophobicContact CZ-CB 3.92Å; F120-L272 HydrophobicContact CE2-CD1 3.86Å; F120-L272 HydrophobicContact CE2-CD2 3.8Å; F120-L272 HydrophobicContact CE2-CG 4.48Å; F120-L272 HydrophobicContact CZ-CD1 3.81Å |
| 121 | G | 52.4 | Low | 59.3 | Low | 8 Ų | 8 | 60.7 Ų | 60.7 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -82.4 | 159.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L116 N117 D123 R124 | L116-G121 PolarHBondContact O-N 2.83Å; L116-G121 VanDerWaalsContact O-N 3.15Å; N117-G121 WeakPolarHBondContact O-CA 3.5Å; N117-G121 PolarHBondContact O-N 2.86Å; N117-G121 VanDerWaalsContact O-N 3.16Å; G121-D123 PolarHBondContact O-N 2.99Å; G121-R124 PolarHBondContact O-N 3.06Å |
| 122 | K | 50.3 | Low | 60.2 | Low | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.7 | -170.9 | -60.3 | -173.8 | -178.9 | -174.4 | 0 | 113.5 | R199 E200 | K122-R199 WeakPolarHBondContact O-CD 3.45Å; K122-R199 PolarHBondContact O-NH1 3.41Å; K122-E200 IonicContact NZ-OE1 3.51Å; K122-E200 PolarHBondContact NZ-OE1 2.81Å |
| 123 | D | 52.8 | Low | 61 | Low | 138 Ų | 138 | 65.9 Ų | 65.9 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 10 | -172.4 | -50.4 | -64.7 | 0 | 0 | 0 | 115.1 | G121 | G121-D123 PolarHBondContact O-N 2.99Š|
| 124 | R | 66.6 | Low | 61.8 | Low | 66 Ų | 66 | 65.3 Ų | 65.3 | 25% | 0.249 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 160.5 | 175.8 | -153.8 | -178.7 | 88 | -175.8 | 12.4 | 111.6 | R118 V119 G121 E130 R199 | R118-R124 WeakPolarHBondContact O-CD 3.45Å; R118-R124 WeakPolarHBondContact O-CG 3.29Å; V119-R124 PolarHBondContact O-NH1 3.19Å; G121-R124 PolarHBondContact O-N 3.06Å; R124-E130 IonicContact CZ-OE1 2.76Å; R124-E130 IonicContact CZ-OE2 3.07Å; R124-E130 IonicContact NH1-OE1 3.37Å; R124-E130 IonicContact NH2-OE1 3.73Å; R124-E130 PolarHBondContact NH2-OE1 2.88Å; R124-E130 IonicContact NH2-OE2 2.7Å; R124-E130 PolarHBondContact NH2-OE2 3.48Å; R124-R199 PolarHBondContact O-NH1 2.81Å; R124-R199 PolarHBondContact O-NH2 3.38Å |
| 125 | E | 60.9 | Low | 62.7 | Low | 176 Ų | 176 | 66.4 Ų | 66.4 | 82% | 0.822 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -82 | 153.3 | 157.8 | -68.3 | 177.7 | 163.1 | 0 | 0 | 109.5 | ||
| 126 | L | 66.3 | Low | 63.7 | Low | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 137 | 175.7 | -70 | 170.5 | 0 | 0 | 0 | 109.7 | E130 L131 L134 V191 | L126-E130 WeakPolarHBondContact CA-OE2 3.49Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; L126-E130 WeakPolarHBondContact CD2-OE2 3.49Å; L126-L131 HydrophobicContact CB-CD1 4.4Å; L126-L131 HydrophobicContact CB-CD2 3.97Å; L126-L131 HydrophobicContact CB-CG 3.88Å; L126-L131 HydrophobicContact CD1-CD2 3.73Å; L126-L131 HydrophobicContact CD1-CG 4.49Å; L126-L134 HydrophobicContact CD1-CD1 3.67Å; L126-L134 HydrophobicContact CD2-CD1 4.39Å; L126-V191 HydrophobicContact CD1-CG1 3.59Å |
| 127 | G | 65.1 | Low | 64.6 | Low | 17 Ų | 17 | 67.8 Ų | 67.8 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 158.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E129 E130 L131 | G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 3.07Å; G127-E130 PolarHBondContact N-OE2 3.19Å; G127-E130 WeakPolarHBondContact O-CB 3.48Å; G127-E130 PolarHBondContact O-N 3.08Å; G127-L131 PolarHBondContact O-N 3.1Å |
| 128 | P | 63.8 | Low | 65.5 | Low | 96 Ų | 96 | 64.3 Ų | 64.3 | 62% | 0.623 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.2 | -38.3 | 175.5 | 25 | -33.6 | 0 | 0 | 0 | 112 | E130 L131 D132 | P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; P128-L131 PolarHBondContact O-N 2.66Å; P128-D132 WeakPolarHBondContact O-CB 3.43Å; P128-D132 VanDerWaalsContact O-CG 3.29Å; P128-D132 PolarHBondContact O-N 2.83Å |
| 129 | E | 64.4 | Low | 66.6 | Low | 85 Ų | 85 | 63.2 Ų | 63.2 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -29.5 | 175.2 | -64.2 | -174.8 | -160 | 0 | 0 | 111.8 | G127 E133 I213 R216 | G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 3.07Å; E129-E133 VanDerWaalsContact O-CG 3.23Å; E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.07Å; E129-I213 HydrophobicContact CB-CD1 4.36Å; E129-R216 IonicContact OE1-NH1 2.66Å; E129-R216 PolarHBondContact OE1-NH1 3.01Å; E129-R216 IonicContact OE2-CZ 3.4Å; E129-R216 IonicContact OE2-NH1 3.25Å; E129-R216 PolarHBondContact OE2-NH1 2.7Å |
| 130 | E | 68.5 | Low | 67.8 | Low | 38 Ų | 38 | 69 Ų | 69 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -81.2 | -33.8 | 175.9 | -64.5 | 168.8 | 165.1 | 0 | 0 | 112.6 | R124 L126 G127 P128 E133 L134 | R124-E130 IonicContact CZ-OE1 2.76Å; R124-E130 IonicContact CZ-OE2 3.07Å; R124-E130 IonicContact NH1-OE1 3.37Å; R124-E130 IonicContact NH2-OE1 3.73Å; R124-E130 PolarHBondContact NH2-OE1 2.88Å; R124-E130 IonicContact NH2-OE2 2.7Å; R124-E130 PolarHBondContact NH2-OE2 3.48Å; L126-E130 WeakPolarHBondContact CA-OE2 3.49Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; L126-E130 WeakPolarHBondContact CD2-OE2 3.49Å; G127-E130 PolarHBondContact N-OE2 3.19Å; G127-E130 WeakPolarHBondContact O-CB 3.48Å; G127-E130 PolarHBondContact O-N 3.08Å; P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; E130-E133 PolarHBondContact O-N 2.8Å; E130-L134 WeakPolarHBondContact O-CB 3.15Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; E130-L134 PolarHBondContact O-N 3.46Å |
| 131 | L | 72.3 | Confident | 68.8 | Low | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 174.7 | -71.6 | 168.8 | 0 | 0 | 0 | 111.3 | L126 G127 P128 E133 L134 Q135 V191 | L126-L131 HydrophobicContact CB-CD1 4.4Å; L126-L131 HydrophobicContact CB-CD2 3.97Å; L126-L131 HydrophobicContact CB-CG 3.88Å; L126-L131 HydrophobicContact CD1-CD2 3.73Å; L126-L131 HydrophobicContact CD1-CG 4.49Å; G127-L131 PolarHBondContact O-N 3.1Å; P128-L131 PolarHBondContact O-N 2.66Å; L131-E133 VanDerWaalsContact C-N 3.28Å; L131-E133 PolarHBondContact O-N 3.27Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-Q135 VanDerWaalsContact O-CB 3.31Å; L131-Q135 WeakPolarHBondContact O-CB 3.44Å; L131-Q135 PolarHBondContact O-N 3.14Å; L131-V191 HydrophobicContact CD2-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG2 4.21Å |
| 132 | D | 71.8 | Confident | 70.1 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 57% | 0.572 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 173 | -74.4 | -13.5 | 0 | 0 | 0 | 110.9 | P128 A136 | P128-D132 WeakPolarHBondContact O-CB 3.43Å; P128-D132 VanDerWaalsContact O-CG 3.29Å; P128-D132 PolarHBondContact O-N 2.83Å; D132-A136 WeakPolarHBondContact O-CB 3.41Å; D132-A136 PolarHBondContact O-N 2.93Å |
| 133 | E | 73.1 | Confident | 71 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.9 | -39.8 | 176.8 | -75.3 | 179.1 | 164.9 | 0 | 0 | 113.4 | E129 E130 L131 Q135 A136 A137 R209 | E129-E133 VanDerWaalsContact O-CG 3.23Å; E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.07Å; E130-E133 PolarHBondContact O-N 2.8Å; L131-E133 VanDerWaalsContact C-N 3.28Å; L131-E133 PolarHBondContact O-N 3.27Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; E133-A136 PolarHBondContact O-N 3.2Å; E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.31Å; E133-R209 WeakPolarHBondContact OE1-CD 3.47Å; E133-R209 IonicContact OE1-CZ 3.15Å; E133-R209 IonicContact OE1-NE 2.7Å; E133-R209 PolarHBondContact OE1-NE 3.38Å; E133-R209 IonicContact OE1-NH1 3.93Å; E133-R209 PolarHBondContact OE1-NH1 3.22Å; E133-R209 IonicContact OE2-CZ 3.99Å; E133-R209 IonicContact OE2-NE 2.66Å; E133-R209 IonicContact OE2-NH1 3.53Å; E133-R209 PolarHBondContact OE2-NH1 3.3Å; E133-R209 IonicContact OE2-NH2 2.83Å; E133-R209 PolarHBondContact OE2-NH2 3.24Å |
| 134 | L | 73.8 | Confident | 72.1 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 172.3 | -76.2 | 167.8 | 0 | 0 | 0 | 111.4 | L126 E130 L131 F138 L161 F187 F190 V191 I194 L198 | L126-L134 HydrophobicContact CD1-CD1 3.67Å; L126-L134 HydrophobicContact CD2-CD1 4.39Å; E130-L134 WeakPolarHBondContact O-CB 3.15Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; E130-L134 PolarHBondContact O-N 3.46Å; L131-L134 PolarHBondContact O-N 2.99Å; L134-F138 VanDerWaalsContact O-CB 3.31Å; L134-F138 WeakPolarHBondContact O-CB 3.2Å; L134-F138 PolarHBondContact O-N 3.13Å; L134-L161 HydrophobicContact CD2-CD1 3.95Å; L134-F187 HydrophobicContact CB-CE2 4.47Å; L134-F190 HydrophobicContact CB-CE1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 3.77Å; L134-F190 HydrophobicContact CD2-CZ 4.21Å; L134-F190 WeakPolarHBondContact O-CE1 3.11Å; L134-V191 HydrophobicContact CD1-CG2 4.46Å; L134-I194 HydrophobicContact CD2-CB 4.38Å; L134-I194 HydrophobicContact CD2-CG2 3.66Å; L134-L198 HydrophobicContact CD2-CD1 4.01Å |
| 135 | Q | 78.6 | Confident | 72.7 | Confident | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | 172.7 | -173.9 | -180 | -26 | 0 | 0 | 111.5 | L131 E133 A137 F138 E139 F187 | L131-Q135 VanDerWaalsContact O-CB 3.31Å; L131-Q135 WeakPolarHBondContact O-CB 3.44Å; L131-Q135 PolarHBondContact O-N 3.14Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.16Å; Q135-F138 WeakPolarHBondContact O-CB 3.3Å; Q135-F138 PolarHBondContact O-N 2.91Å; Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 2.9Å; Q135-F187 HydrophobicContact CB-CE2 3.87Å; Q135-F187 HydrophobicContact CB-CZ 3.81Å; Q135-F187 HydrophobicContact CG-CE2 4.42Å; Q135-F187 HydrophobicContact CG-CZ 4.46Å |
| 136 | A | 77.3 | Confident | 73.6 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D132 E133 E140 | D132-A136 WeakPolarHBondContact O-CB 3.41Å; D132-A136 PolarHBondContact O-N 2.93Å; E133-A136 PolarHBondContact O-N 3.2Å; A136-E140 WeakPolarHBondContact O-CB 3.3Å; A136-E140 PolarHBondContact O-N 3.27Å; A136-E140 VanDerWaalsContact O-N 3.11Å |
| 137 | A | 76.1 | Confident | 74.2 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | E133 Q135 E139 E140 F141 L161 | E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.31Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.16Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 3.48Å; A137-E140 WeakPolarHBondContact O-CA 3.28Å; A137-E140 WeakPolarHBondContact O-CB 3.27Å; A137-E140 PolarHBondContact O-N 3.38Å; A137-F141 HydrophobicContact CB-CD2 4.24Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.86Å; A137-L161 HydrophobicContact CB-CD1 4.47Å; A137-L161 HydrophobicContact CB-CD2 4.1Å; A137-L161 HydrophobicContact CB-CG 4.47Å |
| 138 | F | 76.5 | Confident | 74.9 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 179.7 | -169.8 | -79.5 | 0 | 0 | 0 | 112.1 | L134 Q135 E140 F141 D142 I149 F187 F190 | L134-F138 VanDerWaalsContact O-CB 3.31Å; L134-F138 WeakPolarHBondContact O-CB 3.2Å; L134-F138 PolarHBondContact O-N 3.13Å; Q135-F138 WeakPolarHBondContact O-CB 3.3Å; Q135-F138 PolarHBondContact O-N 2.91Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.24Å; F138-F141 PolarHBondContact O-N 3.41Å; F138-D142 HydrophobicContact CD1-CB 4.22Å; F138-D142 HydrophobicContact CE1-CB 4.05Å; F138-D142 VanDerWaalsContact O-CB 3.26Å; F138-D142 WeakPolarHBondContact O-CB 3.22Å; F138-D142 PolarHBondContact O-N 3.43Å; F138-I149 HydrophobicContact CB-CD1 4.36Å; F138-I149 HydrophobicContact CD2-CD1 3.39Å; F138-I149 HydrophobicContact CD2-CG1 3.94Å; F138-I149 HydrophobicContact CE2-CB 4.35Å; F138-I149 HydrophobicContact CE2-CD1 3.75Å; F138-I149 HydrophobicContact CE2-CG1 3.78Å; F138-I149 HydrophobicContact CG-CD1 3.9Å; F138-I149 HydrophobicContact CG-CG1 4.46Å; F138-I149 HydrophobicContact CZ-CD1 4.5Å; F138-I149 HydrophobicContact CZ-CG1 4.15Å; F138-F187 HydrophobicContact CB-CD2 3.91Å; F138-F187 HydrophobicContact CB-CE2 4.24Å; F138-F187 HydrophobicContact CD2-CB 4.33Å; F138-F187 AromaticContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CE2-CB 4.18Å; F138-F187 HydrophobicContact CE2-CD2 4.48Å; F138-F187 AromaticContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CZ-CB 4.33Å; F138-F190 HydrophobicContact CB-CE1 4.35Å; F138-F190 HydrophobicContact CD2-CB 3.9Å; F138-F190 AromaticContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD2 4.21Å; F138-F190 HydrophobicContact CD2-CE1 4.37Å; F138-F190 AromaticContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CE2-CB 3.95Å; F138-F190 HydrophobicContact CE2-CG 4.26Å |
| 139 | E | 80.8 | Confident | 75.5 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.4 | -23.1 | 175.9 | -68.9 | 179.5 | -160.2 | 0 | 0 | 113.8 | Q135 A137 | Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 2.9Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 3.48Å |
| 140 | E | 78.8 | Confident | 76 | Confident | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -79.7 | -30.3 | 172.5 | -174.1 | 172.5 | -167.6 | 0 | 0 | 112.5 | A136 A137 F138 | A136-E140 WeakPolarHBondContact O-CB 3.3Å; A136-E140 PolarHBondContact O-N 3.27Å; A136-E140 VanDerWaalsContact O-N 3.11Å; A137-E140 WeakPolarHBondContact O-CA 3.28Å; A137-E140 WeakPolarHBondContact O-CB 3.27Å; A137-E140 PolarHBondContact O-N 3.38Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.24Å |
| 141 | F | 75.1 | Confident | 76.1 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -98.8 | -27.7 | -176.7 | -64.8 | -62.9 | 0 | 0 | 0 | 114.6 | A137 F138 T143 I149 E153 D156 C157 T160 | A137-F141 HydrophobicContact CB-CD2 4.24Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.86Å; F138-F141 PolarHBondContact O-N 3.41Å; F141-T143 PolarHBondContact O-N 3.22Å; F141-T143 PolarHBondContact O-OG1 3.04Å; F141-I149 HydrophobicContact CB-CD1 4.02Å; F141-I149 HydrophobicContact CB-CG1 4.48Å; F141-E153 HydrophobicContact CB-CB 4.16Å; F141-E153 WeakPolarHBondContact O-CG 3.48Å; F141-D156 HydrophobicContact CE1-CB 4.48Å; F141-C157 HydrophobicContact CB-CB 4.26Å; F141-C157 HydrophobicContact CD1-CB 4.17Å; F141-C157 HydrophobicContact CD2-CB 3.31Å; F141-C157 WeakPolarHBondContact CD2-SG 3.38Å; F141-C157 HydrophobicContact CE2-CB 3.79Å; F141-C157 HydrophobicContact CG-CB 3.6Å; F141-C157 HydrophobicContact CZ-CB 4.4Å; F141-T160 HydrophobicContact CE2-CG2 4.41Å; F141-T160 HydrophobicContact CZ-CG2 3.92Å; F141-T160 WeakPolarHBondContact CZ-OG1 3.48Å |
| 142 | D | 78.6 | Confident | 76.2 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | trans | -68.8 | 76.1 | 166.1 | -178.9 | 6.7 | 0 | 0 | 0 | 109.7 | F138 H145 D146 G147 | F138-D142 HydrophobicContact CD1-CB 4.22Å; F138-D142 HydrophobicContact CE1-CB 4.05Å; F138-D142 VanDerWaalsContact O-CB 3.26Å; F138-D142 WeakPolarHBondContact O-CB 3.22Å; F138-D142 PolarHBondContact O-N 3.43Å; D142-H145 PolarHBondContact O-CE1 3.2Å; D142-H145 PolarHBondContact O-N 3.24Å; D142-H145 PolarHBondContact O-ND1 2.83Å; D142-H145 WeakPolarHBondContact OD1-CA 3.14Å; D142-H145 PolarHBondContact OD1-N 2.68Å; D142-D146 PolarHBondContact OD1-N 3.45Å; D142-G147 VanDerWaalsContact OD2-CA 3.25Å; D142-G147 WeakPolarHBondContact OD2-CA 3.39Å; D142-G147 PolarHBondContact OD2-N 3.32Å | ||
| 143 | T | 70.7 | Confident | 76.5 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -22.9 | -162.7 | -51.4 | 0 | 0 | 0 | 0 | 113.1 | F141 | F141-T143 PolarHBondContact O-N 3.22Å; F141-T143 PolarHBondContact O-OG1 3.04Å |
| 144 | D | 76.2 | Confident | 76.6 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1 | 169.5 | 57.3 | -14.6 | 0 | 0 | 0 | 113.4 | D146 | D144-D146 PolarHBondContact O-N 2.84Š|
| 145 | H | 77.8 | Confident | 76.6 | Confident | 142 Ų | 142 | 63.7 Ų | 63.7 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | trans | 53.5 | 40.9 | -178.9 | -58.1 | -33.5 | 0 | 0 | 0 | 112.1 | D142 G147 | D142-H145 PolarHBondContact O-CE1 3.2Å; D142-H145 PolarHBondContact O-N 3.24Å; D142-H145 PolarHBondContact O-ND1 2.83Å; D142-H145 WeakPolarHBondContact OD1-CA 3.14Å; D142-H145 PolarHBondContact OD1-N 2.68Å; H145-G147 VanDerWaalsContact C-N 3.3Å | ||
| 146 | D | 81 | Confident | 76.4 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -85.9 | -6 | 180 | 108.8 | -20.1 | 0 | 0 | 0 | 112.9 | D142 D144 Y148 R184 | D142-D146 PolarHBondContact OD1-N 3.45Å; D144-D146 PolarHBondContact O-N 2.84Å; D146-Y148 WeakPolarHBondContact O-CD2 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CD2 3.2Å; D146-Y148 PolarHBondContact OD1-N 3.23Å; D146-R184 VanDerWaalsContact CG-NH1 3.26Å; D146-R184 IonicContact OD1-CZ 2.97Å; D146-R184 IonicContact OD1-NH1 3.39Å; D146-R184 PolarHBondContact OD1-NH1 3.25Å; D146-R184 IonicContact OD2-CZ 2.72Å; D146-R184 IonicContact OD2-NH1 3.85Å; D146-R184 PolarHBondContact OD2-NH1 3.2Å; D146-R184 IonicContact OD2-NH2 2.75Å; D146-R184 PolarHBondContact OD2-NH2 3.29Å |
| 147 | G | 77.9 | Confident | 76.2 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 90.1 | 5.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D142 H145 | D142-G147 VanDerWaalsContact OD2-CA 3.25Å; D142-G147 WeakPolarHBondContact OD2-CA 3.39Å; D142-G147 PolarHBondContact OD2-N 3.32Å; H145-G147 VanDerWaalsContact C-N 3.3Å |
| 148 | Y | 80.6 | Confident | 76 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | trans | -140.6 | 132.1 | -176.7 | -55.4 | -87.3 | 0 | 0 | 0 | 113.5 | D146 R184 V185 D186 | D146-Y148 WeakPolarHBondContact O-CD2 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CD2 3.2Å; D146-Y148 PolarHBondContact OD1-N 3.23Å; Y148-R184 HydrophobicContact CD1-CB 3.81Å; Y148-R184 HydrophobicContact CG-CB 3.97Å; Y148-R184 HydrophobicContact CG-CG 4.35Å; Y148-V185 CarbonylContact C-O 3.54Å; Y148-V185 VanDerWaalsContact CA-O 3.24Å; Y148-V185 WeakPolarHBondContact CA-O 3.45Å; Y148-D186 HydrophobicContact CD1-CB 3.98Å; Y148-D186 HydrophobicContact CE1-CB 3.9Å | ||
| 149 | I | 76.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -81.6 | 134.6 | 170.8 | -73.8 | 179.6 | 0 | 0 | 0 | 110.3 | F138 F141 E153 L154 V185 F190 | F138-I149 HydrophobicContact CB-CD1 4.36Å; F138-I149 HydrophobicContact CD2-CD1 3.39Å; F138-I149 HydrophobicContact CD2-CG1 3.94Å; F138-I149 HydrophobicContact CE2-CB 4.35Å; F138-I149 HydrophobicContact CE2-CD1 3.75Å; F138-I149 HydrophobicContact CE2-CG1 3.78Å; F138-I149 HydrophobicContact CG-CD1 3.9Å; F138-I149 HydrophobicContact CG-CG1 4.46Å; F138-I149 HydrophobicContact CZ-CD1 4.5Å; F138-I149 HydrophobicContact CZ-CG1 4.15Å; F141-I149 HydrophobicContact CB-CD1 4.02Å; F141-I149 HydrophobicContact CB-CG1 4.48Å; I149-E153 HydrophobicContact CG2-CB 4.29Å; I149-L154 HydrophobicContact CG2-CB 3.68Å; I149-L154 HydrophobicContact CG2-CD1 4.17Å; I149-V185 PolarHBondContact N-O 2.97Å; I149-V185 PolarHBondContact O-N 3.27Å; I149-F190 HydrophobicContact CD1-CD2 3.78Å; I149-F190 HydrophobicContact CD1-CE2 3.77Å; I149-F190 HydrophobicContact CD1-CG 4.48Å; I149-F190 HydrophobicContact CD1-CZ 4.46Å |
| 150 | S | 74.4 | Confident | 75.3 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | trans | -88.3 | 160.3 | 169 | 104.4 | 0 | 0 | 0 | 0 | 111.2 | R152 E153 L154 | S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 PolarHBondContact OG-N 3.24Å; S150-E153 VanDerWaalsContact CA-OE2 3.28Å; S150-E153 WeakPolarHBondContact CA-OE2 3.18Å; S150-E153 WeakPolarHBondContact CB-OE2 3.16Å; S150-E153 PolarHBondContact N-OE2 3.42Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 PolarHBondContact OG-OE2 3.08Å; S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å | ||
| 151 | H | 70.3 | Confident | 74.7 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -9.1 | 175 | 71.4 | -54.5 | 0 | 0 | 0 | 116.6 | S174 | H151-S174 WeakPolarHBondContact CB-OG 3.39Å; H151-S174 PolarHBondContact CD2-OG 3.31Å; H151-S174 VanDerWaalsContact CD2-OG 3.28Å |
| 152 | R | 73.7 | Confident | 74 | Confident | 180 Ų | 180 | 60.5 Ų | 60.5 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -57.2 | 172.2 | -71.9 | -175.6 | 172.1 | -160.9 | -4.5 | 110.9 | S150 L154 G155 D156 | S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 PolarHBondContact OG-N 3.24Å; R152-L154 PolarHBondContact O-N 3.24Å; R152-G155 WeakPolarHBondContact O-CA 3.16Å; R152-G155 PolarHBondContact O-N 2.82Å; R152-D156 PolarHBondContact O-N 2.9Å |
| 153 | E | 77.7 | Confident | 73.4 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -32.6 | 178 | -56.3 | 84.7 | -160.9 | 0 | 0 | 110.8 | F141 I149 S150 G155 D156 C157 | F141-E153 HydrophobicContact CB-CB 4.16Å; F141-E153 WeakPolarHBondContact O-CG 3.48Å; I149-E153 HydrophobicContact CG2-CB 4.29Å; S150-E153 VanDerWaalsContact CA-OE2 3.28Å; S150-E153 WeakPolarHBondContact CA-OE2 3.18Å; S150-E153 WeakPolarHBondContact CB-OE2 3.16Å; S150-E153 PolarHBondContact N-OE2 3.42Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 PolarHBondContact OG-OE2 3.08Å; E153-G155 VanDerWaalsContact C-N 3.29Å; E153-G155 PolarHBondContact O-N 3.49Å; E153-D156 PolarHBondContact O-N 2.7Å; E153-C157 VanDerWaalsContact O-CB 3.25Å; E153-C157 WeakPolarHBondContact O-CB 3.43Å; E153-C157 PolarHBondContact O-N 2.83Å |
| 154 | L | 75.6 | Confident | 73.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.8 | -39 | 171.4 | -171 | 63.9 | 0 | 0 | 0 | 113.4 | I149 S150 R152 M158 V173 I177 F190 L193 I194 | I149-L154 HydrophobicContact CG2-CB 3.68Å; I149-L154 HydrophobicContact CG2-CD1 4.17Å; S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å; R152-L154 PolarHBondContact O-N 3.24Å; L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 3Å; L154-V173 HydrophobicContact CD2-CG1 3.43Å; L154-V173 VanDerWaalsContact CD2-CG1 3.43Å; L154-I177 HydrophobicContact CD2-CD1 3.39Å; L154-F190 HydrophobicContact CD1-CD2 3.73Å; L154-F190 HydrophobicContact CD1-CE2 3.88Å; L154-L193 HydrophobicContact CD2-CD2 4.17Å; L154-I194 HydrophobicContact CD1-CD1 3.83Å; L154-I194 HydrophobicContact CD1-CG1 4.09Å |
| 155 | G | 73.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.9 | -33.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R152 E153 R159 | R152-G155 WeakPolarHBondContact O-CA 3.16Å; R152-G155 PolarHBondContact O-N 2.82Å; E153-G155 VanDerWaalsContact C-N 3.29Å; E153-G155 PolarHBondContact O-N 3.49Å; G155-R159 VanDerWaalsContact C-CZ 3.47Å; G155-R159 WeakPolarHBondContact O-CG 3.43Å; G155-R159 PolarHBondContact O-N 2.98Å; G155-R159 PolarHBondContact O-NE 3.39Å; G155-R159 PolarHBondContact O-NH1 3.43Å; G155-R159 VanDerWaalsContact O-NH1 3.13Å; G155-R159 PolarHBondContact O-NH2 2.95Å |
| 156 | D | 75.2 | Confident | 72.5 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.3 | -38.3 | 173 | -70.8 | -52.2 | 0 | 0 | 0 | 111.6 | F141 R152 E153 M158 R159 T160 | F141-D156 HydrophobicContact CE1-CB 4.48Å; R152-D156 PolarHBondContact O-N 2.9Å; E153-D156 PolarHBondContact O-N 2.7Å; D156-M158 PolarHBondContact O-N 3.01Å; D156-R159 VanDerWaalsContact CG-NH2 3.32Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 3.03Å; D156-R159 VanDerWaalsContact O-N 3.11Å; D156-R159 IonicContact OD1-CZ 3.24Å; D156-R159 IonicContact OD1-NE 3.03Å; D156-R159 PolarHBondContact OD1-NE 3.21Å; D156-R159 IonicContact OD1-NH2 2.65Å; D156-R159 PolarHBondContact OD1-NH2 3.09Å; D156-R159 IonicContact OD2-NH2 2.69Å; D156-T160 PolarHBondContact O-N 2.8Å; D156-T160 PolarHBondContact O-OG1 3.34Å |
| 157 | C | 73.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.9 | -49.4 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | F141 E153 R159 T160 L161 F190 | F141-C157 HydrophobicContact CB-CB 4.26Å; F141-C157 HydrophobicContact CD1-CB 4.17Å; F141-C157 HydrophobicContact CD2-CB 3.31Å; F141-C157 WeakPolarHBondContact CD2-SG 3.38Å; F141-C157 HydrophobicContact CE2-CB 3.79Å; F141-C157 HydrophobicContact CG-CB 3.6Å; F141-C157 HydrophobicContact CZ-CB 4.4Å; E153-C157 VanDerWaalsContact O-CB 3.25Å; E153-C157 WeakPolarHBondContact O-CB 3.43Å; E153-C157 PolarHBondContact O-N 2.83Å; C157-R159 PolarHBondContact O-N 3.44Å; C157-T160 PolarHBondContact O-N 3.04Å; C157-L161 WeakPolarHBondContact O-CB 3.06Å; C157-L161 WeakPolarHBondContact O-CG 3.11Å; C157-L161 PolarHBondContact O-N 3.13Å; C157-F190 HydrophobicContact CB-CE2 4.48Å; C157-F190 VanDerWaalsContact SG-CE2 3.55Å; C157-F190 WeakPolarHBondContact SG-CZ 3.46Å |
| 158 | M | 72.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.3 | -45.1 | 174.9 | -80.2 | 177.8 | 161.4 | 0 | 0 | 111.6 | L154 D156 L161 G162 Y163 P165 L170 V173 L193 I194 K197 | L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 3Å; D156-M158 PolarHBondContact O-N 3.01Å; M158-L161 CarbonylContact O-C 3.59Å; M158-L161 PolarHBondContact O-N 3.26Å; M158-G162 PolarHBondContact O-N 3.32Å; M158-Y163 CarbonylContact C-O 3.09Å; M158-Y163 HydrophobicContact CB-CD1 3.83Å; M158-Y163 HydrophobicContact CE-CD1 4.31Å; M158-Y163 HydrophobicContact CE-CE1 3.86Å; M158-Y163 HydrophobicContact CG-CD1 3.79Å; M158-Y163 HydrophobicContact CG-CE1 4.18Å; M158-Y163 PolarHBondContact O-N 3.11Å; M158-Y163 HydrophobicContact SD-CD1 3.89Å; M158-Y163 HydrophobicContact SD-CE1 3.65Å; M158-P165 HydrophobicContact CB-CG 3.95Å; M158-P165 HydrophobicContact CG-CG 4.5Å; M158-P165 HydrophobicContact SD-CB 3.98Å; M158-P165 HydrophobicContact SD-CG 3.74Å; M158-L170 HydrophobicContact SD-CD1 4.42Å; M158-V173 HydrophobicContact CE-CG2 4.3Å; M158-L193 HydrophobicContact CE-CD2 4.16Å; M158-I194 HydrophobicContact CE-CD1 3.41Å; M158-I194 VanDerWaalsContact CE-CD1 3.41Å; M158-I194 HydrophobicContact CG-CD1 3.61Å; M158-I194 HydrophobicContact SD-CD1 4.33Å; M158-K197 HydrophobicContact CE-CD 3.81Å |
| 159 | R | 74.3 | Confident | 71.2 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 179.6 | -71.1 | -176.7 | -81 | -85.5 | 5.4 | 113.1 | G155 D156 C157 L161 G162 Y163 M164 | G155-R159 VanDerWaalsContact C-CZ 3.47Å; G155-R159 WeakPolarHBondContact O-CG 3.43Å; G155-R159 PolarHBondContact O-N 2.98Å; G155-R159 PolarHBondContact O-NE 3.39Å; G155-R159 PolarHBondContact O-NH1 3.43Å; G155-R159 VanDerWaalsContact O-NH1 3.13Å; G155-R159 PolarHBondContact O-NH2 2.95Å; D156-R159 VanDerWaalsContact CG-NH2 3.32Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 3.03Å; D156-R159 VanDerWaalsContact O-N 3.11Å; D156-R159 IonicContact OD1-CZ 3.24Å; D156-R159 IonicContact OD1-NE 3.03Å; D156-R159 PolarHBondContact OD1-NE 3.21Å; D156-R159 IonicContact OD1-NH2 2.65Å; D156-R159 PolarHBondContact OD1-NH2 3.09Å; D156-R159 IonicContact OD2-NH2 2.69Å; C157-R159 PolarHBondContact O-N 3.44Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-G162 PolarHBondContact O-N 2.86Å; R159-Y163 VanDerWaalsContact CA-O 3.22Å; R159-Y163 WeakPolarHBondContact CA-O 3.44Å; R159-Y163 PolarHBondContact N-O 3.28Å; R159-M164 HydrophobicContact CB-SD 4.43Å; R159-M164 HydrophobicContact CG-SD 3.78Å |
| 160 | T | 67.8 | Low | 71 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.3 | -32.9 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | F141 D156 C157 G162 | F141-T160 HydrophobicContact CE2-CG2 4.41Å; F141-T160 HydrophobicContact CZ-CG2 3.92Å; F141-T160 WeakPolarHBondContact CZ-OG1 3.48Å; D156-T160 PolarHBondContact O-N 2.8Å; D156-T160 PolarHBondContact O-OG1 3.34Å; C157-T160 PolarHBondContact O-N 3.04Å; T160-G162 PolarHBondContact O-N 2.98Å |
| 161 | L | 65.4 | Low | 70.7 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 6.9 | 169.9 | -65.4 | 172.6 | 0 | 0 | 0 | 113.6 | L134 A137 C157 M158 R159 F190 I194 L198 | L134-L161 HydrophobicContact CD2-CD1 3.95Å; A137-L161 HydrophobicContact CB-CD1 4.47Å; A137-L161 HydrophobicContact CB-CD2 4.1Å; A137-L161 HydrophobicContact CB-CG 4.47Å; C157-L161 WeakPolarHBondContact O-CB 3.06Å; C157-L161 WeakPolarHBondContact O-CG 3.11Å; C157-L161 PolarHBondContact O-N 3.13Å; M158-L161 CarbonylContact O-C 3.59Å; M158-L161 PolarHBondContact O-N 3.26Å; R159-L161 VanDerWaalsContact C-N 3.32Å; L161-F190 HydrophobicContact CD1-CZ 4.48Å; L161-I194 HydrophobicContact CD1-CG2 3.93Å; L161-L198 HydrophobicContact CB-CD1 4.35Å; L161-L198 HydrophobicContact CD1-CD1 4.08Å; L161-L198 HydrophobicContact CD2-CD1 4.46Å |
| 162 | G | 61.5 | Low | 70.8 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -2.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M158 R159 T160 | M158-G162 PolarHBondContact O-N 3.32Å; R159-G162 PolarHBondContact O-N 2.86Å; T160-G162 PolarHBondContact O-N 2.98Å |
| 163 | Y | 66.1 | Low | 70.5 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | -94.3 | 129.5 | 177.8 | 169.3 | -123.8 | 0 | 0 | 0 | 110.4 | M158 R159 P165 E169 K197 E201 | M158-Y163 CarbonylContact C-O 3.09Å; M158-Y163 HydrophobicContact CB-CD1 3.83Å; M158-Y163 HydrophobicContact CE-CD1 4.31Å; M158-Y163 HydrophobicContact CE-CE1 3.86Å; M158-Y163 HydrophobicContact CG-CD1 3.79Å; M158-Y163 HydrophobicContact CG-CE1 4.18Å; M158-Y163 PolarHBondContact O-N 3.11Å; M158-Y163 HydrophobicContact SD-CD1 3.89Å; M158-Y163 HydrophobicContact SD-CE1 3.65Å; R159-Y163 VanDerWaalsContact CA-O 3.22Å; R159-Y163 WeakPolarHBondContact CA-O 3.44Å; R159-Y163 PolarHBondContact N-O 3.28Å; Y163-P165 VanDerWaalsContact C-CD 3.44Å; Y163-P165 HydrophobicContact CD1-CB 4.39Å; Y163-P165 HydrophobicContact CD1-CG 4.49Å; Y163-P165 HydrophobicContact CE1-CB 3.72Å; Y163-P165 HydrophobicContact CE1-CG 4.26Å; Y163-P165 WeakPolarHBondContact O-CD 3.14Å; Y163-E169 VanDerWaalsContact OH-CD 3.3Å; Y163-E169 PolarHBondContact OH-OE1 3.11Å; Y163-K197 HydrophobicContact CE1-CB 4.47Å; Y163-K197 HydrophobicContact CE1-CD 3.86Å; Y163-K197 PolarHBondContact OH-NZ 2.89Å; Y163-E201 VanDerWaalsContact CD2-OE2 3.23Å; Y163-E201 WeakPolarHBondContact CD2-OE2 3.37Å; Y163-E201 HydrophobicContact CE2-CG 4.42Å; Y163-E201 VanDerWaalsContact CE2-OE2 3.28Å; Y163-E201 WeakPolarHBondContact CE2-OE2 3.49Å | ||
| 164 | M | 64.1 | Low | 69.9 | Low | 143 Ų | 143 | 57.4 Ų | 57.4 | 70% | 0.704 | 30% | 0.3 | S | S | * | . | trans | -108 | 75.6 | -175.6 | -76.6 | -78.5 | -76.2 | 0 | 0 | 110.7 | R159 | R159-M164 HydrophobicContact CB-SD 4.43Å; R159-M164 HydrophobicContact CG-SD 3.78Å | ||
| 165 | P | 65.6 | Low | 69.6 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | trans | -60.9 | 139.9 | -175.4 | 26.7 | -37.2 | 0 | 0 | 0 | 111.7 | M158 Y163 | M158-P165 HydrophobicContact CB-CG 3.95Å; M158-P165 HydrophobicContact CG-CG 4.5Å; M158-P165 HydrophobicContact SD-CB 3.98Å; M158-P165 HydrophobicContact SD-CG 3.74Å; Y163-P165 VanDerWaalsContact C-CD 3.44Å; Y163-P165 HydrophobicContact CD1-CB 4.39Å; Y163-P165 HydrophobicContact CD1-CG 4.49Å; Y163-P165 HydrophobicContact CE1-CB 3.72Å; Y163-P165 HydrophobicContact CE1-CG 4.26Å; Y163-P165 WeakPolarHBondContact O-CD 3.14Å | ||
| 166 | T | 75.4 | Confident | 69.3 | Low | 77 Ų | 77 | 68 Ų | 68 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | trans | -68.7 | 158.8 | 166.7 | 64.7 | 0 | 0 | 0 | 0 | 111 | M168 E169 L170 | T166-M168 PolarHBondContact O-N 3.43Å; T166-E169 VanDerWaalsContact CB-OE2 3.32Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.23Å; T166-E169 PolarHBondContact N-OE2 3.4Å; T166-E169 PolarHBondContact O-N 3.49Å; T166-E169 WeakPolarHBondContact OG1-CG 3.32Å; T166-E169 PolarHBondContact OG1-N 3.31Å; T166-E169 PolarHBondContact OG1-OE2 3.36Å; T166-L170 PolarHBondContact O-N 3.12Å | ||
| 167 | E | 72.6 | Confident | 68.9 | Low | 160 Ų | 160 | 64.3 Ų | 64.3 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59 | -29.6 | 175 | -171.5 | 173.4 | -164.6 | 0 | 0 | 112 | L171 | E167-L171 HydrophobicContact CG-CD1 4.2Å; E167-L171 WeakPolarHBondContact O-CB 3.38Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.35Å |
| 168 | M | 70.9 | Confident | 68.5 | Low | 124 Ų | 124 | 69.3 Ų | 69.3 | 61% | 0.611 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.1 | -51.6 | 175.3 | -168.3 | 64.2 | 66.3 | 0 | 0 | 111.6 | T166 L170 L171 E172 | T166-M168 PolarHBondContact O-N 3.43Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.89Å; M168-L171 CarbonylContact O-C 3.59Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.17Å; M168-L171 VanDerWaalsContact O-N 3.08Å; M168-E172 WeakPolarHBondContact O-CG 3.48Å; M168-E172 PolarHBondContact O-N 2.66Å |
| 169 | E | 69.7 | Low | 68.3 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 20% | 0.201 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 179.9 | -67.5 | 163.1 | 97.1 | 0 | 0 | 111.7 | Y163 T166 L171 E172 V173 K197 | Y163-E169 VanDerWaalsContact OH-CD 3.3Å; Y163-E169 PolarHBondContact OH-OE1 3.11Å; T166-E169 VanDerWaalsContact CB-OE2 3.32Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.23Å; T166-E169 PolarHBondContact N-OE2 3.4Å; T166-E169 PolarHBondContact O-N 3.49Å; T166-E169 WeakPolarHBondContact OG1-CG 3.32Å; T166-E169 PolarHBondContact OG1-N 3.31Å; T166-E169 PolarHBondContact OG1-OE2 3.36Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.88Å; E169-E172 PolarHBondContact O-N 3.04Å; E169-V173 VanDerWaalsContact O-CB 3.28Å; E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.31Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.76Å; E169-K197 IonicContact OE1-NZ 2.84Å; E169-K197 PolarHBondContact OE1-NZ 3.3Å |
| 170 | L | 71.3 | Confident | 67.8 | Low | 37 Ų | 37 | 79.7 Ų | 79.7 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 175.9 | -169.3 | 63.6 | 0 | 0 | 0 | 111.8 | M158 T166 M168 S174 | M158-L170 HydrophobicContact SD-CD1 4.42Å; T166-L170 PolarHBondContact O-N 3.12Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.89Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.79Å |
| 171 | L | 68.8 | Low | 67.4 | Low | 88 Ų | 88 | 76.5 Ų | 76.5 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.3 | -36.4 | 172.5 | -76.8 | 169.1 | 0 | 0 | 0 | 113 | E167 M168 E169 Q175 | E167-L171 HydrophobicContact CG-CD1 4.2Å; E167-L171 WeakPolarHBondContact O-CB 3.38Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.35Å; M168-L171 CarbonylContact O-C 3.59Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.17Å; M168-L171 VanDerWaalsContact O-N 3.08Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.88Å; L171-Q175 WeakPolarHBondContact O-CB 3.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.29Å; L171-Q175 PolarHBondContact O-N 3.06Å; L171-Q175 PolarHBondContact O-NE2 2.92Å |
| 172 | E | 73 | Confident | 67.5 | Low | 117 Ų | 117 | 77.9 Ų | 77.9 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 173.4 | -72.1 | 177.4 | 156.5 | 0 | 0 | 110.6 | M168 E169 S174 Q175 H176 | M168-E172 WeakPolarHBondContact O-CG 3.48Å; M168-E172 PolarHBondContact O-N 2.66Å; E169-E172 PolarHBondContact O-N 3.04Å; E172-S174 PolarHBondContact O-N 3.24Å; E172-Q175 PolarHBondContact O-N 2.78Å; E172-H176 WeakPolarHBondContact O-CB 3.37Å; E172-H176 PolarHBondContact O-N 2.7Å |
| 173 | V | 66.9 | Low | 67.8 | Low | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.4 | -50.8 | 171.2 | 158.5 | 0 | 0 | 0 | 0 | 111.1 | L154 M158 E169 Q175 H176 I177 L193 | L154-V173 HydrophobicContact CD2-CG1 3.43Å; L154-V173 VanDerWaalsContact CD2-CG1 3.43Å; M158-V173 HydrophobicContact CE-CG2 4.3Å; E169-V173 VanDerWaalsContact O-CB 3.28Å; E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.31Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.76Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.8Å; V173-H176 PolarHBondContact O-N 2.79Å; V173-I177 HydrophobicContact CG1-CD1 3.67Å; V173-I177 WeakPolarHBondContact O-CD1 3.48Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.15Å; V173-I177 PolarHBondContact O-N 3.42Å; V173-L193 HydrophobicContact CG1-CD1 4.13Å; V173-L193 HydrophobicContact CG1-CD2 3.7Å; V173-L193 HydrophobicContact CG1-CG 4.5Å; V173-L193 HydrophobicContact CG2-CD2 4.08Å |
| 174 | S | 65.6 | Low | 67.9 | Low | 5 Ų | 5 | 81.4 Ų | 81.4 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.1 | -34.4 | -179.7 | -169.1 | 0 | 0 | 0 | 0 | 113 | H151 L170 E172 K178 | H151-S174 WeakPolarHBondContact CB-OG 3.39Å; H151-S174 PolarHBondContact CD2-OG 3.31Å; H151-S174 VanDerWaalsContact CD2-OG 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.79Å; E172-S174 PolarHBondContact O-N 3.24Å; S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 WeakPolarHBondContact O-CD 3.34Å; S174-K178 VanDerWaalsContact O-CG 3.24Å; S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 3.47Å; S174-K178 PolarHBondContact OG-NZ 2.97Å |
| 175 | Q | 67.7 | Low | 68.4 | Low | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.5 | -40.2 | 174.1 | -79.1 | -178.4 | 93.6 | 0 | 0 | 112.2 | L171 E172 V173 I177 K178 M179 | L171-Q175 WeakPolarHBondContact O-CB 3.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.29Å; L171-Q175 PolarHBondContact O-N 3.06Å; L171-Q175 PolarHBondContact O-NE2 2.92Å; E172-Q175 PolarHBondContact O-N 2.78Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.8Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 3.16Å; Q175-K178 PolarHBondContact O-N 2.91Å; Q175-M179 WeakPolarHBondContact O-CB 3.47Å; Q175-M179 WeakPolarHBondContact O-CG 3.2Å; Q175-M179 PolarHBondContact O-N 3.1Å |
| 176 | H | 68.1 | Low | 69 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 175.4 | -166.8 | 71.8 | 0 | 0 | 0 | 110.8 | E172 V173 K178 M179 R180 | E172-H176 WeakPolarHBondContact O-CB 3.37Å; E172-H176 PolarHBondContact O-N 2.7Å; V173-H176 PolarHBondContact O-N 2.79Å; H176-K178 PolarHBondContact O-N 2.97Å; H176-M179 PolarHBondContact O-N 3.07Å; H176-R180 PolarHBondContact NE2-NH1 3.4Å; H176-R180 WeakPolarHBondContact O-CB 3.5Å; H176-R180 PolarHBondContact O-N 3.24Å |
| 177 | I | 66.7 | Low | 69.1 | Low | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 173.4 | -67.4 | 160 | 0 | 0 | 0 | 111.4 | L154 V173 Q175 M179 M181 G182 G183 R184 V185 L193 | L154-I177 HydrophobicContact CD2-CD1 3.39Å; V173-I177 HydrophobicContact CG1-CD1 3.67Å; V173-I177 WeakPolarHBondContact O-CD1 3.48Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.15Å; V173-I177 PolarHBondContact O-N 3.42Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 3.16Å; I177-M179 VanDerWaalsContact C-N 3.33Å; I177-M179 PolarHBondContact O-N 2.87Å; I177-M181 HydrophobicContact CB-SD 4.39Å; I177-M181 HydrophobicContact CG1-SD 3.93Å; I177-M181 HydrophobicContact CG2-CB 4.37Å; I177-M181 CarbonylContact O-C 3.33Å; I177-M181 VanDerWaalsContact O-CA 3.29Å; I177-M181 WeakPolarHBondContact O-CA 3.31Å; I177-M181 WeakPolarHBondContact O-CB 3.48Å; I177-M181 PolarHBondContact O-N 2.93Å; I177-G182 PolarHBondContact O-N 3.18Å; I177-G183 PolarHBondContact O-N 2.93Å; I177-R184 WeakPolarHBondContact CG2-O 3.26Å; I177-V185 HydrophobicContact CB-CG2 4.29Å; I177-V185 HydrophobicContact CD1-CG2 3.53Å; I177-V185 HydrophobicContact CG1-CG2 3.73Å; I177-V185 HydrophobicContact CG2-CG2 3.55Å; I177-L193 HydrophobicContact CD1-CD1 3.83Å; I177-L193 HydrophobicContact CG1-CD1 3.65Å |
| 178 | K | 65.3 | Low | 69.4 | Low | 105 Ų | 105 | 74.7 Ų | 74.7 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -32.5 | -179.4 | -76.1 | 164.3 | -177.6 | 150.3 | 0 | 113.7 | S174 Q175 H176 | S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 WeakPolarHBondContact O-CD 3.34Å; S174-K178 VanDerWaalsContact O-CG 3.24Å; S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 3.47Å; S174-K178 PolarHBondContact OG-NZ 2.97Å; Q175-K178 PolarHBondContact O-N 2.91Å; H176-K178 PolarHBondContact O-N 2.97Å |
| 179 | M | 67.4 | Low | 69.7 | Low | 163 Ų | 163 | 70.9 Ų | 70.9 | 80% | 0.803 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -88.8 | -24.5 | -178 | -66.2 | -66.9 | -175.6 | 0 | 0 | 113.7 | Q175 H176 I177 | Q175-M179 WeakPolarHBondContact O-CB 3.47Å; Q175-M179 WeakPolarHBondContact O-CG 3.2Å; Q175-M179 PolarHBondContact O-N 3.1Å; H176-M179 PolarHBondContact O-N 3.07Å; I177-M179 VanDerWaalsContact C-N 3.33Å; I177-M179 PolarHBondContact O-N 2.87Å |
| 180 | R | 63.4 | Low | 69.9 | Low | 156 Ų | 156 | 68.9 Ų | 68.9 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -112.3 | -36.4 | -173.2 | -161.8 | -174.6 | -144.8 | -160 | 7 | 113.7 | H176 | H176-R180 PolarHBondContact NE2-NH1 3.4Å; H176-R180 WeakPolarHBondContact O-CB 3.5Å; H176-R180 PolarHBondContact O-N 3.24Å |
| 181 | M | 60.4 | Low | 70.1 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -117.3 | 14.6 | -168.2 | -55.2 | 161.2 | 158.9 | 0 | 0 | 111.5 | I177 G183 R184 E189 | I177-M181 HydrophobicContact CB-SD 4.39Å; I177-M181 HydrophobicContact CG1-SD 3.93Å; I177-M181 HydrophobicContact CG2-CB 4.37Å; I177-M181 CarbonylContact O-C 3.33Å; I177-M181 VanDerWaalsContact O-CA 3.29Å; I177-M181 WeakPolarHBondContact O-CA 3.31Å; I177-M181 WeakPolarHBondContact O-CB 3.48Å; I177-M181 PolarHBondContact O-N 2.93Å; M181-G183 PolarHBondContact O-N 3.3Å; M181-R184 WeakPolarHBondContact CB-O 2.96Å; M181-E189 VanDerWaalsContact CB-OE1 3.28Å; M181-E189 WeakPolarHBondContact CB-OE1 3.48Å; M181-E189 HydrophobicContact CE-CB 3.71Å; M181-E189 HydrophobicContact CE-CG 3.86Å; M181-E189 HydrophobicContact CG-CG 4.22Å; M181-E189 WeakPolarHBondContact CG-OE1 3.28Å; M181-E189 HydrophobicContact SD-CB 4.03Å; M181-E189 HydrophobicContact SD-CG 4.26Å |
| 182 | G | 66.7 | Low | 70.4 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 78% | 0.784 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 0.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I177 | I177-G182 PolarHBondContact O-N 3.18Š|
| 183 | G | 67.5 | Low | 70.3 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.2 | 5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I177 M181 | I177-G183 PolarHBondContact O-N 2.93Å; M181-G183 PolarHBondContact O-N 3.3Å |
| 184 | R | 69.5 | Low | 70.5 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -119.8 | 169.5 | 166.8 | -77.3 | -175.3 | 176.2 | -91.8 | 16.6 | 109 | D146 Y148 I177 M181 | D146-R184 VanDerWaalsContact CG-NH1 3.26Å; D146-R184 IonicContact OD1-CZ 2.97Å; D146-R184 IonicContact OD1-NH1 3.39Å; D146-R184 PolarHBondContact OD1-NH1 3.25Å; D146-R184 IonicContact OD2-CZ 2.72Å; D146-R184 IonicContact OD2-NH1 3.85Å; D146-R184 PolarHBondContact OD2-NH1 3.2Å; D146-R184 IonicContact OD2-NH2 2.75Å; D146-R184 PolarHBondContact OD2-NH2 3.29Å; Y148-R184 HydrophobicContact CD1-CB 3.81Å; Y148-R184 HydrophobicContact CG-CB 3.97Å; Y148-R184 HydrophobicContact CG-CG 4.35Å; I177-R184 WeakPolarHBondContact CG2-O 3.26Å; M181-R184 WeakPolarHBondContact CB-O 2.96Å | ||
| 185 | V | 74.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -135.9 | 112.5 | 179.4 | -168.7 | 0 | 0 | 0 | 0 | 108.3 | Y148 I149 I177 E189 F190 | Y148-V185 CarbonylContact C-O 3.54Å; Y148-V185 VanDerWaalsContact CA-O 3.24Å; Y148-V185 WeakPolarHBondContact CA-O 3.45Å; I149-V185 PolarHBondContact N-O 2.97Å; I149-V185 PolarHBondContact O-N 3.27Å; I177-V185 HydrophobicContact CB-CG2 4.29Å; I177-V185 HydrophobicContact CD1-CG2 3.53Å; I177-V185 HydrophobicContact CG1-CG2 3.73Å; I177-V185 HydrophobicContact CG2-CG2 3.55Å; V185-E189 WeakPolarHBondContact CA-OE2 3.48Å; V185-E189 HydrophobicContact CG1-CB 3.77Å; V185-F190 HydrophobicContact CG1-CB 3.81Å; V185-F190 VanDerWaalsContact CG1-N 3.33Å |
| 186 | D | 78.1 | Confident | 70.6 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | trans | -78.9 | -178.8 | 169.8 | 69.9 | 37.4 | 0 | 0 | 0 | 112.2 | Y148 E188 E189 F190 | Y148-D186 HydrophobicContact CD1-CB 3.98Å; Y148-D186 HydrophobicContact CE1-CB 3.9Å; D186-E188 PolarHBondContact OD1-N 3.42Å; D186-E188 VanDerWaalsContact OD1-N 3.09Å; D186-E189 PolarHBondContact N-OE2 2.84Å; D186-E189 PolarHBondContact O-N 2.63Å; D186-E189 WeakPolarHBondContact OD1-CG 3.31Å; D186-E189 PolarHBondContact OD1-N 2.99Å; D186-F190 WeakPolarHBondContact O-CB 3.49Å; D186-F190 PolarHBondContact O-N 2.37Å | ||
| 187 | F | 78.4 | Confident | 70.2 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | -176 | -179 | -112.1 | 0 | 0 | 0 | 113.3 | L134 Q135 F138 F190 V191 | L134-F187 HydrophobicContact CB-CE2 4.47Å; Q135-F187 HydrophobicContact CB-CE2 3.87Å; Q135-F187 HydrophobicContact CB-CZ 3.81Å; Q135-F187 HydrophobicContact CG-CE2 4.42Å; Q135-F187 HydrophobicContact CG-CZ 4.46Å; F138-F187 HydrophobicContact CB-CD2 3.91Å; F138-F187 HydrophobicContact CB-CE2 4.24Å; F138-F187 HydrophobicContact CD2-CB 4.33Å; F138-F187 AromaticContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CE2-CB 4.18Å; F138-F187 HydrophobicContact CE2-CD2 4.48Å; F138-F187 AromaticContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CZ-CB 4.33Å; F187-F190 HydrophobicContact CD2-CD1 4.29Å; F187-F190 HydrophobicContact CE2-CD1 4.39Å; F187-F190 PolarHBondContact O-N 2.96Å; F187-V191 HydrophobicContact CD1-CG2 4.5Å; F187-V191 HydrophobicContact CD2-CG2 4.31Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.83Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CB 3.43Å; F187-V191 VanDerWaalsContact O-CG2 3.31Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.09Å |
| 188 | E | 78.7 | Confident | 69.9 | Low | 148 Ų | 148 | 62.2 Ų | 62.2 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 174.6 | -88.9 | 97.9 | 171.5 | 0 | 0 | 111.2 | D186 F190 V191 E192 | D186-E188 PolarHBondContact OD1-N 3.42Å; D186-E188 VanDerWaalsContact OD1-N 3.09Å; E188-F190 PolarHBondContact O-N 3.08Å; E188-V191 PolarHBondContact O-N 3.42Å; E188-E192 PolarHBondContact O-N 3.31Å |
| 189 | E | 77 | Confident | 69.7 | Low | 45 Ų | 45 | 59.5 Ų | 59.5 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.2 | -67.9 | -179.9 | 145.8 | 0 | 0 | 112.6 | M181 V185 D186 L193 | M181-E189 VanDerWaalsContact CB-OE1 3.28Å; M181-E189 WeakPolarHBondContact CB-OE1 3.48Å; M181-E189 HydrophobicContact CE-CB 3.71Å; M181-E189 HydrophobicContact CE-CG 3.86Å; M181-E189 HydrophobicContact CG-CG 4.22Å; M181-E189 WeakPolarHBondContact CG-OE1 3.28Å; M181-E189 HydrophobicContact SD-CB 4.03Å; M181-E189 HydrophobicContact SD-CG 4.26Å; V185-E189 WeakPolarHBondContact CA-OE2 3.48Å; V185-E189 HydrophobicContact CG1-CB 3.77Å; D186-E189 PolarHBondContact N-OE2 2.84Å; D186-E189 PolarHBondContact O-N 2.63Å; D186-E189 WeakPolarHBondContact OD1-CG 3.31Å; D186-E189 PolarHBondContact OD1-N 2.99Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 PolarHBondContact O-N 2.98Å; E189-L193 VanDerWaalsContact O-N 3.16Å |
| 190 | F | 74.5 | Confident | 69 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.9 | 170.8 | -97.1 | 0 | 0 | 0 | 111.1 | L134 F138 I149 L154 C157 L161 V185 D186 F187 E188 L193 I194 | L134-F190 HydrophobicContact CB-CE1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 3.77Å; L134-F190 HydrophobicContact CD2-CZ 4.21Å; L134-F190 WeakPolarHBondContact O-CE1 3.11Å; F138-F190 HydrophobicContact CB-CE1 4.35Å; F138-F190 HydrophobicContact CD2-CB 3.9Å; F138-F190 AromaticContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD2 4.21Å; F138-F190 HydrophobicContact CD2-CE1 4.37Å; F138-F190 AromaticContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CE2-CB 3.95Å; F138-F190 HydrophobicContact CE2-CG 4.26Å; I149-F190 HydrophobicContact CD1-CD2 3.78Å; I149-F190 HydrophobicContact CD1-CE2 3.77Å; I149-F190 HydrophobicContact CD1-CG 4.48Å; I149-F190 HydrophobicContact CD1-CZ 4.46Å; L154-F190 HydrophobicContact CD1-CD2 3.73Å; L154-F190 HydrophobicContact CD1-CE2 3.88Å; C157-F190 HydrophobicContact CB-CE2 4.48Å; C157-F190 VanDerWaalsContact SG-CE2 3.55Å; C157-F190 WeakPolarHBondContact SG-CZ 3.46Å; L161-F190 HydrophobicContact CD1-CZ 4.48Å; V185-F190 HydrophobicContact CG1-CB 3.81Å; V185-F190 VanDerWaalsContact CG1-N 3.33Å; D186-F190 WeakPolarHBondContact O-CB 3.49Å; D186-F190 PolarHBondContact O-N 2.37Å; F187-F190 HydrophobicContact CD2-CD1 4.29Å; F187-F190 HydrophobicContact CE2-CD1 4.39Å; F187-F190 PolarHBondContact O-N 2.96Å; E188-F190 PolarHBondContact O-N 3.08Å; F190-L193 PolarHBondContact O-N 3.12Å; F190-I194 HydrophobicContact CD2-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.49Å; F190-I194 HydrophobicContact CE2-CG1 3.61Å; F190-I194 HydrophobicContact CG-CG1 4.37Å; F190-I194 HydrophobicContact CZ-CG1 3.98Å; F190-I194 WeakPolarHBondContact O-CB 3.46Å; F190-I194 PolarHBondContact O-N 2.77Å |
| 191 | V | 75.2 | Confident | 68.2 | Low | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.7 | 163.9 | 0 | 0 | 0 | 0 | 111.7 | L126 L131 L134 F187 E188 L193 G195 | L126-V191 HydrophobicContact CD1-CG1 3.59Å; L131-V191 HydrophobicContact CD2-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG2 4.21Å; L134-V191 HydrophobicContact CD1-CG2 4.46Å; F187-V191 HydrophobicContact CD1-CG2 4.5Å; F187-V191 HydrophobicContact CD2-CG2 4.31Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.83Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CB 3.43Å; F187-V191 VanDerWaalsContact O-CG2 3.31Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.09Å; E188-V191 PolarHBondContact O-N 3.42Å; V191-L193 PolarHBondContact O-N 2.75Å; V191-G195 WeakPolarHBondContact O-CA 3.35Å; V191-G195 PolarHBondContact O-N 3.28Å |
| 192 | E | 74.6 | Confident | 67.5 | Low | 129 Ų | 129 | 54.3 Ų | 54.3 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.7 | -32.8 | 174.2 | -82.4 | -157 | 173.3 | 0 | 0 | 113 | E188 P196 | E188-E192 PolarHBondContact O-N 3.31Å; E192-P196 WeakPolarHBondContact O-CD 3.1Å; E192-P196 VanDerWaalsContact O-CG 3.29Å; E192-P196 WeakPolarHBondContact O-CG 2.88Å |
| 193 | L | 71.4 | Confident | 66.4 | Low | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -93.7 | -39.6 | -170.6 | -167.8 | 149.3 | 0 | 0 | 0 | 113.1 | L154 M158 V173 I177 E189 F190 V191 | L154-L193 HydrophobicContact CD2-CD2 4.17Å; M158-L193 HydrophobicContact CE-CD2 4.16Å; V173-L193 HydrophobicContact CG1-CD1 4.13Å; V173-L193 HydrophobicContact CG1-CD2 3.7Å; V173-L193 HydrophobicContact CG1-CG 4.5Å; V173-L193 HydrophobicContact CG2-CD2 4.08Å; I177-L193 HydrophobicContact CD1-CD1 3.83Å; I177-L193 HydrophobicContact CG1-CD1 3.65Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 PolarHBondContact O-N 2.98Å; E189-L193 VanDerWaalsContact O-N 3.16Å; F190-L193 PolarHBondContact O-N 3.12Å; V191-L193 PolarHBondContact O-N 2.75Å |
| 194 | I | 69.4 | Low | 65.2 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83.2 | -41.4 | 177.9 | -64 | -58.6 | 0 | 0 | 0 | 111.4 | L134 L154 M158 L161 F190 K197 L198 | L134-I194 HydrophobicContact CD2-CB 4.38Å; L134-I194 HydrophobicContact CD2-CG2 3.66Å; L154-I194 HydrophobicContact CD1-CD1 3.83Å; L154-I194 HydrophobicContact CD1-CG1 4.09Å; M158-I194 HydrophobicContact CE-CD1 3.41Å; M158-I194 VanDerWaalsContact CE-CD1 3.41Å; M158-I194 HydrophobicContact CG-CD1 3.61Å; M158-I194 HydrophobicContact SD-CD1 4.33Å; L161-I194 HydrophobicContact CD1-CG2 3.93Å; F190-I194 HydrophobicContact CD2-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.49Å; F190-I194 HydrophobicContact CE2-CG1 3.61Å; F190-I194 HydrophobicContact CG-CG1 4.37Å; F190-I194 HydrophobicContact CZ-CG1 3.98Å; F190-I194 WeakPolarHBondContact O-CB 3.46Å; F190-I194 PolarHBondContact O-N 2.77Å; I194-K197 PolarHBondContact O-N 2.98Å; I194-L198 HydrophobicContact CG2-CB 4.4Å; I194-L198 HydrophobicContact CG2-CD1 3.93Å; I194-L198 WeakPolarHBondContact O-CB 3.24Å; I194-L198 PolarHBondContact O-N 2.86Å |
| 195 | G | 68.9 | Low | 63.8 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -49.7 | -47.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V191 R199 | V191-G195 WeakPolarHBondContact O-CA 3.35Å; V191-G195 PolarHBondContact O-N 3.28Å; G195-R199 VanDerWaalsContact O-CD 3.25Å; G195-R199 WeakPolarHBondContact O-CD 3.35Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.46Å; G195-R199 PolarHBondContact O-NE 2.97Å |
| 196 | P | 67.1 | Low | 62.8 | Low | 63 Ų | 63 | 64 Ų | 64 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 175.4 | -23.7 | 35.5 | 0 | 0 | 0 | 113.7 | E192 R199 E200 | E192-P196 WeakPolarHBondContact O-CD 3.1Å; E192-P196 VanDerWaalsContact O-CG 3.29Å; E192-P196 WeakPolarHBondContact O-CG 2.88Å; P196-R199 PolarHBondContact O-N 3.07Å; P196-R199 VanDerWaalsContact O-N 3.14Å; P196-E200 WeakPolarHBondContact O-CB 3.47Å; P196-E200 PolarHBondContact O-N 3.43Å |
| 197 | K | 60.1 | Low | 61.6 | Low | 45 Ų | 45 | 62.8 Ų | 62.8 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 179.9 | -79.8 | -175.6 | 162.3 | -70.2 | 0 | 112.3 | M158 Y163 E169 I194 R199 E200 | M158-K197 HydrophobicContact CE-CD 3.81Å; Y163-K197 HydrophobicContact CE1-CB 4.47Å; Y163-K197 HydrophobicContact CE1-CD 3.86Å; Y163-K197 PolarHBondContact OH-NZ 2.89Å; E169-K197 IonicContact OE1-NZ 2.84Å; E169-K197 PolarHBondContact OE1-NZ 3.3Å; I194-K197 PolarHBondContact O-N 2.98Å; K197-R199 PolarHBondContact O-N 2.86Å; K197-E200 PolarHBondContact O-N 2.83Å |
| 198 | L | 60.4 | Low | 60.4 | Low | 52 Ų | 52 | 64.7 Ų | 64.7 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.7 | 3 | 172.5 | -134.4 | 165.6 | 0 | 0 | 0 | 113.2 | L134 L161 I194 T202 | L134-L198 HydrophobicContact CD2-CD1 4.01Å; L161-L198 HydrophobicContact CB-CD1 4.35Å; L161-L198 HydrophobicContact CD1-CD1 4.08Å; L161-L198 HydrophobicContact CD2-CD1 4.46Å; I194-L198 HydrophobicContact CG2-CB 4.4Å; I194-L198 HydrophobicContact CG2-CD1 3.93Å; I194-L198 WeakPolarHBondContact O-CB 3.24Å; I194-L198 PolarHBondContact O-N 2.86Å; L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-OG1 3.21Å |
| 199 | R | 60.9 | Low | 59.4 | Low | 47 Ų | 47 | 62.6 Ų | 62.6 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -119.6 | -28.2 | 169.9 | -59.7 | 159.4 | -175.1 | -169.8 | -7.8 | 112.9 | K122 R124 G195 P196 K197 | K122-R199 WeakPolarHBondContact O-CD 3.45Å; K122-R199 PolarHBondContact O-NH1 3.41Å; R124-R199 PolarHBondContact O-NH1 2.81Å; R124-R199 PolarHBondContact O-NH2 3.38Å; G195-R199 VanDerWaalsContact O-CD 3.25Å; G195-R199 WeakPolarHBondContact O-CD 3.35Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.46Å; G195-R199 PolarHBondContact O-NE 2.97Å; P196-R199 PolarHBondContact O-N 3.07Å; P196-R199 VanDerWaalsContact O-N 3.14Å; K197-R199 PolarHBondContact O-N 2.86Å |
| 200 | E | 53.8 | Low | 58.8 | Low | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.3 | -38.3 | -171.4 | 179.7 | 146.5 | -115.9 | 0 | 0 | 113.5 | K122 P196 K197 | K122-E200 IonicContact NZ-OE1 3.51Å; K122-E200 PolarHBondContact NZ-OE1 2.81Å; P196-E200 WeakPolarHBondContact O-CB 3.47Å; P196-E200 PolarHBondContact O-N 3.43Å; K197-E200 PolarHBondContact O-N 2.83Å |
| 201 | E | 45.5 | Very low | 58.5 | Low | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -23.9 | 173.7 | -64.3 | -155.6 | 144.3 | 0 | 0 | 113.7 | Y163 A203 H204 | Y163-E201 VanDerWaalsContact CD2-OE2 3.23Å; Y163-E201 WeakPolarHBondContact CD2-OE2 3.37Å; Y163-E201 HydrophobicContact CE2-CG 4.42Å; Y163-E201 VanDerWaalsContact CE2-OE2 3.28Å; Y163-E201 WeakPolarHBondContact CE2-OE2 3.49Å; E201-A203 PolarHBondContact O-N 2.89Å; E201-H204 PolarHBondContact O-N 2.95Å; E201-H204 VanDerWaalsContact O-N 3.12Å |
| 202 | T | 45.3 | Very low | 58.2 | Low | 28 Ų | 28 | 67.4 Ų | 67.4 | 17% | 0.172 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -64.3 | -13.3 | -174 | -40 | 0 | 0 | 0 | 0 | 113.5 | L198 H204 M205 L206 | L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-OG1 3.21Å; T202-H204 PolarHBondContact O-N 2.82Å; T202-H204 VanDerWaalsContact O-N 3.1Å; T202-M205 WeakPolarHBondContact CG2-O 3.39Å; T202-M205 CarbonylContact O-C 3.6Å; T202-M205 PolarHBondContact O-N 3.33Å; T202-L206 HydrophobicContact CG2-CD2 4.49Å; T202-L206 PolarHBondContact O-N 3.47Å |
| 203 | A | 44.7 | Very low | 58 | Low | 64 Ų | 64 | 62.9 Ų | 62.9 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -56.6 | -21.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E201 | E201-A203 PolarHBondContact O-N 2.89Š|
| 204 | H | 41.6 | Very low | 58.1 | Low | 183 Ų | 183 | 62 Ų | 62 | 85% | 0.847 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -106.4 | -2.9 | 172.7 | -66.9 | -50.3 | 0 | 0 | 0 | 114.2 | E201 T202 | E201-H204 PolarHBondContact O-N 2.95Å; E201-H204 VanDerWaalsContact O-N 3.12Å; T202-H204 PolarHBondContact O-N 2.82Å; T202-H204 VanDerWaalsContact O-N 3.1Å |
| 205 | M | 40.7 | Very low | 58.5 | Low | 125 Ų | 125 | 62.4 Ų | 62.4 | 62% | 0.616 | 32% | 0.315 | S | S | * | . | trans | -136.9 | 52.8 | 175.1 | -68.2 | -161.4 | -61.4 | 0 | 0 | 110.6 | T202 G207 | T202-M205 WeakPolarHBondContact CG2-O 3.39Å; T202-M205 CarbonylContact O-C 3.6Å; T202-M205 PolarHBondContact O-N 3.33Å; M205-G207 PolarHBondContact O-N 2.96Å | ||
| 206 | L | 51.9 | Low | 59 | Low | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | trans | -62.2 | 107.1 | 168.4 | -70.9 | -179.6 | 0 | 0 | 0 | 108 | F120 T202 L211 | F120-L206 HydrophobicContact CB-CD2 4.25Å; F120-L206 HydrophobicContact CD1-CD1 3.84Å; F120-L206 HydrophobicContact CD1-CD2 3.38Å; F120-L206 HydrophobicContact CD1-CG 4.27Å; F120-L206 HydrophobicContact CD2-CD1 4.17Å; F120-L206 HydrophobicContact CE1-CD1 3.96Å; F120-L206 HydrophobicContact CE1-CD2 3.9Å; F120-L206 HydrophobicContact CE2-CD1 4.3Å; F120-L206 HydrophobicContact CG-CD1 3.94Å; F120-L206 HydrophobicContact CG-CD2 3.98Å; F120-L206 HydrophobicContact CZ-CD1 4.19Å; T202-L206 HydrophobicContact CG2-CD2 4.49Å; T202-L206 PolarHBondContact O-N 3.47Å; L206-L211 HydrophobicContact CB-CD1 4.3Å; L206-L211 HydrophobicContact CB-CD2 4.22Å; L206-L211 HydrophobicContact CB-CG 4.19Å; L206-L211 HydrophobicContact CD1-CD2 4.27Å; L206-L211 WeakPolarHBondContact O-CD1 3.49Å | ||
| 207 | G | 53.8 | Low | 59.4 | Low | 25 Ų | 25 | 68.3 Ų | 68.3 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | trans | -66.1 | 154.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M205 R209 E210 L211 | M205-G207 PolarHBondContact O-N 2.96Å; G207-R209 PolarHBondContact O-N 3.34Å; G207-E210 WeakPolarHBondContact CA-OE2 3.22Å; G207-E210 PolarHBondContact N-OE2 2.95Å; G207-E210 PolarHBondContact O-N 3.47Å; G207-E210 VanDerWaalsContact O-N 3.09Å; G207-L211 WeakPolarHBondContact O-CD1 3.3Å; G207-L211 WeakPolarHBondContact O-CG 3.12Å; G207-L211 PolarHBondContact O-N 3.11Å; G207-L211 VanDerWaalsContact O-N 3.11Å | ||
| 208 | V | 53.4 | Low | 60.2 | Low | 95 Ų | 95 | 66.3 Ų | 66.3 | 58% | 0.576 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.8 | -21.5 | 175 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | R212 F265 | V208-R212 VanDerWaalsContact O-CB 3.3Å; V208-R212 WeakPolarHBondContact O-CB 3.1Å; V208-R212 WeakPolarHBondContact O-CD 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.18Å; V208-R212 PolarHBondContact O-N 2.65Å; V208-R212 VanDerWaalsContact O-N 3.14Å; V208-F265 HydrophobicContact CG1-CE1 4.17Å; V208-F265 HydrophobicContact CG1-CZ 4.12Å |
| 209 | R | 56.3 | Low | 61.3 | Low | 104 Ų | 104 | 64.3 Ų | 64.3 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.1 | -51.5 | 174.3 | -179.6 | -175.9 | 61.1 | -173.2 | 10.3 | 112.3 | E133 G207 L211 R212 I213 | E133-R209 WeakPolarHBondContact OE1-CD 3.47Å; E133-R209 IonicContact OE1-CZ 3.15Å; E133-R209 IonicContact OE1-NE 2.7Å; E133-R209 PolarHBondContact OE1-NE 3.38Å; E133-R209 IonicContact OE1-NH1 3.93Å; E133-R209 PolarHBondContact OE1-NH1 3.22Å; E133-R209 IonicContact OE2-CZ 3.99Å; E133-R209 IonicContact OE2-NE 2.66Å; E133-R209 IonicContact OE2-NH1 3.53Å; E133-R209 PolarHBondContact OE2-NH1 3.3Å; E133-R209 IonicContact OE2-NH2 2.83Å; E133-R209 PolarHBondContact OE2-NH2 3.24Å; G207-R209 PolarHBondContact O-N 3.34Å; R209-L211 VanDerWaalsContact C-N 3.27Å; R209-L211 PolarHBondContact O-N 2.92Å; R209-R212 CarbonylContact O-C 3.53Å; R209-R212 WeakPolarHBondContact O-CA 2.98Å; R209-R212 WeakPolarHBondContact O-CB 3.19Å; R209-R212 PolarHBondContact O-N 3.06Å; R209-I213 HydrophobicContact CG-CD1 4.04Å; R209-I213 WeakPolarHBondContact O-CG1 3.14Å; R209-I213 PolarHBondContact O-N 3.16Å |
| 210 | E | 65.2 | Low | 62.3 | Low | 31 Ų | 31 | 68.3 Ų | 68.3 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | -179.8 | -68.2 | 59.2 | -132.6 | 0 | 0 | 110 | G207 R212 I213 A214 | G207-E210 WeakPolarHBondContact CA-OE2 3.22Å; G207-E210 PolarHBondContact N-OE2 2.95Å; G207-E210 PolarHBondContact O-N 3.47Å; G207-E210 VanDerWaalsContact O-N 3.09Å; E210-R212 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.14Å; E210-I213 PolarHBondContact O-N 3.15Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.46Å |
| 211 | L | 68.6 | Low | 63.8 | Low | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 172.7 | -63.8 | 163.4 | 0 | 0 | 0 | 111.5 | F120 L206 G207 R209 F215 F265 V269 L272 | F120-L211 HydrophobicContact CZ-CD2 4.3Å; L206-L211 HydrophobicContact CB-CD1 4.3Å; L206-L211 HydrophobicContact CB-CD2 4.22Å; L206-L211 HydrophobicContact CB-CG 4.19Å; L206-L211 HydrophobicContact CD1-CD2 4.27Å; L206-L211 WeakPolarHBondContact O-CD1 3.49Å; G207-L211 WeakPolarHBondContact O-CD1 3.3Å; G207-L211 WeakPolarHBondContact O-CG 3.12Å; G207-L211 PolarHBondContact O-N 3.11Å; G207-L211 VanDerWaalsContact O-N 3.11Å; R209-L211 VanDerWaalsContact C-N 3.27Å; R209-L211 PolarHBondContact O-N 2.92Å; L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.43Å; L211-F215 PolarHBondContact O-N 2.86Å; L211-F265 HydrophobicContact CB-CE2 4.05Å; L211-F265 HydrophobicContact CB-CZ 3.97Å; L211-V269 HydrophobicContact CB-CG2 4.16Å; L211-V269 HydrophobicContact CD1-CG1 4.36Å; L211-V269 HydrophobicContact CD1-CG2 4.01Å; L211-V269 HydrophobicContact CD2-CG2 4.5Å; L211-V269 HydrophobicContact CG-CG2 4.45Å; L211-L272 HydrophobicContact CD2-CB 4.27Å; L211-L272 HydrophobicContact CD2-CD1 3.4Å; L211-L272 HydrophobicContact CD2-CG 4.46Å |
| 212 | R | 68.8 | Low | 65.7 | Low | 134 Ų | 134 | 72.5 Ų | 72.5 | 51% | 0.506 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.3 | -24.2 | 175.7 | -78.3 | 165.5 | 60 | -136.9 | -0.2 | 114.5 | V208 R209 E210 R216 F265 | V208-R212 VanDerWaalsContact O-CB 3.3Å; V208-R212 WeakPolarHBondContact O-CB 3.1Å; V208-R212 WeakPolarHBondContact O-CD 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.18Å; V208-R212 PolarHBondContact O-N 2.65Å; V208-R212 VanDerWaalsContact O-N 3.14Å; R209-R212 CarbonylContact O-C 3.53Å; R209-R212 WeakPolarHBondContact O-CA 2.98Å; R209-R212 WeakPolarHBondContact O-CB 3.19Å; R209-R212 PolarHBondContact O-N 3.06Å; E210-R212 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.14Å; R212-R216 WeakPolarHBondContact O-CB 3.31Å; R212-R216 PolarHBondContact O-N 3.19Å; R212-F265 HydrophobicContact CB-CE2 4.26Å; R212-F265 HydrophobicContact CG-CD2 4.09Å; R212-F265 HydrophobicContact CG-CE1 4.33Å; R212-F265 HydrophobicContact CG-CE2 3.43Å; R212-F265 VanDerWaalsContact CG-CE2 3.43Å; R212-F265 HydrophobicContact CG-CZ 3.56Å |
| 213 | I | 70.8 | Confident | 67.7 | Low | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.179 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.9 | -50.7 | 172.6 | -69.3 | 167.6 | 0 | 0 | 0 | 108.4 | E129 R209 E210 F215 R216 E217 | E129-I213 HydrophobicContact CB-CD1 4.36Å; R209-I213 HydrophobicContact CG-CD1 4.04Å; R209-I213 WeakPolarHBondContact O-CG1 3.14Å; R209-I213 PolarHBondContact O-N 3.16Å; E210-I213 PolarHBondContact O-N 3.15Å; I213-F215 PolarHBondContact O-N 3.46Å; I213-R216 PolarHBondContact O-N 2.84Å; I213-R216 VanDerWaalsContact O-N 3.16Å; I213-E217 PolarHBondContact O-N 2.76Å |
| 214 | A | 72.6 | Confident | 69.6 | Low | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.017 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.3 | -50.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V119 F120 E210 R216 E217 F218 F268 | V119-A214 HydrophobicContact CG1-CB 3.55Å; F120-A214 HydrophobicContact CE1-CB 4.33Å; F120-A214 HydrophobicContact CZ-CB 3.92Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.46Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å; A214-E217 WeakPolarHBondContact O-CB 3.18Å; A214-E217 PolarHBondContact O-N 3.2Å; A214-F218 WeakPolarHBondContact O-CD2 3.25Å; A214-F268 HydrophobicContact CB-CE1 4.01Å; A214-F268 HydrophobicContact CB-CZ 3.95Å |
| 215 | F | 77.3 | Confident | 71.9 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53 | -44.3 | 177.4 | -170 | -87.1 | 0 | 0 | 0 | 112.5 | L211 I213 E217 F218 D219 G224 I226 F265 F268 | L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.43Å; L211-F215 PolarHBondContact O-N 2.86Å; I213-F215 PolarHBondContact O-N 3.46Å; F215-E217 PolarHBondContact O-N 3.38Å; F215-F218 PolarHBondContact O-N 2.93Å; F215-F218 VanDerWaalsContact O-N 3.1Å; F215-D219 HydrophobicContact CD1-CB 3.95Å; F215-D219 HydrophobicContact CE1-CB 3.8Å; F215-D219 WeakPolarHBondContact O-CB 3.25Å; F215-D219 PolarHBondContact O-N 3.21Å; F215-G224 VanDerWaalsContact CZ-O 3.3Å; F215-G224 WeakPolarHBondContact CZ-O 3.46Å; F215-I226 HydrophobicContact CD2-CD1 3.58Å; F215-I226 HydrophobicContact CD2-CG1 4.21Å; F215-I226 HydrophobicContact CE1-CG1 4.31Å; F215-I226 HydrophobicContact CE2-CD1 3.51Å; F215-I226 HydrophobicContact CE2-CG1 3.77Å; F215-I226 HydrophobicContact CG-CD1 4.22Å; F215-I226 HydrophobicContact CZ-CD1 4.11Å; F215-I226 HydrophobicContact CZ-CG1 3.84Å; F215-F265 HydrophobicContact CB-CD2 4.13Å; F215-F265 HydrophobicContact CB-CE2 4.43Å; F215-F265 HydrophobicContact CD2-CB 4.42Å; F215-F265 AromaticContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CE2-CB 4.21Å; F215-F265 AromaticContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CZ-CB 4.46Å; F215-F268 HydrophobicContact CB-CD1 4.2Å; F215-F268 HydrophobicContact CB-CE1 4.12Å; F215-F268 HydrophobicContact CD2-CB 3.72Å; F215-F268 AromaticContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD2 4.19Å; F215-F268 HydrophobicContact CD2-CE1 4.48Å; F215-F268 AromaticContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CE2-CB 3.97Å; F215-F268 HydrophobicContact CE2-CG 4.36Å |
| 216 | R | 79.7 | Confident | 74 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.5 | -6.3 | 179 | -159.2 | -161.9 | -55.6 | 150 | 9.8 | 114.3 | E129 R212 I213 A214 | E129-R216 IonicContact OE1-NH1 2.66Å; E129-R216 PolarHBondContact OE1-NH1 3.01Å; E129-R216 IonicContact OE2-CZ 3.4Å; E129-R216 IonicContact OE2-NH1 3.25Å; E129-R216 PolarHBondContact OE2-NH1 2.7Å; R212-R216 WeakPolarHBondContact O-CB 3.31Å; R212-R216 PolarHBondContact O-N 3.19Å; I213-R216 PolarHBondContact O-N 2.84Å; I213-R216 VanDerWaalsContact O-N 3.16Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å |
| 217 | E | 76.7 | Confident | 75.7 | Confident | 110 Ų | 110 | 64 Ų | 64 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -89.1 | -24.1 | 170.6 | -163.1 | 173.6 | -177.2 | 0 | 0 | 111.7 | I213 A214 F215 | I213-E217 PolarHBondContact O-N 2.76Å; A214-E217 WeakPolarHBondContact O-CB 3.18Å; A214-E217 PolarHBondContact O-N 3.2Å; F215-E217 PolarHBondContact O-N 3.38Å |
| 218 | F | 77.1 | Confident | 77 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -85.8 | -53.1 | 168.4 | -60.2 | -92.2 | 0 | 0 | 0 | 111.6 | L115 A214 F215 R220 I226 E230 L231 A234 L238 F268 | L115-F218 HydrophobicContact CD1-CE1 3.91Å; L115-F218 HydrophobicContact CD1-CZ 3.7Å; L115-F218 HydrophobicContact CD2-CZ 4.19Å; L115-F218 HydrophobicContact CG-CZ 4.05Å; A214-F218 WeakPolarHBondContact O-CD2 3.25Å; F215-F218 PolarHBondContact O-N 2.93Å; F215-F218 VanDerWaalsContact O-N 3.1Å; F218-R220 WeakPolarHBondContact O-CG 3.08Å; F218-R220 PolarHBondContact O-N 2.96Å; F218-R220 VanDerWaalsContact O-N 3.08Å; F218-I226 HydrophobicContact CB-CB 4.41Å; F218-I226 HydrophobicContact CB-CD1 3.53Å; F218-I226 HydrophobicContact CB-CG1 3.68Å; F218-I226 HydrophobicContact CB-CG2 3.83Å; F218-I226 HydrophobicContact CD2-CD1 4.19Å; F218-I226 HydrophobicContact CG-CD1 3.97Å; F218-E230 WeakPolarHBondContact O-CB 3.42Å; F218-L231 HydrophobicContact CD1-CD1 3.81Å; F218-L231 HydrophobicContact CE1-CD1 4Å; F218-A234 HydrophobicContact CD1-CB 3.6Å; F218-A234 HydrophobicContact CE1-CB 4.13Å; F218-A234 HydrophobicContact CG-CB 4.29Å; F218-L238 HydrophobicContact CD1-CD1 4.18Å; F218-L238 HydrophobicContact CE1-CD1 3.37Å; F218-L238 HydrophobicContact CE2-CD1 4.02Å; F218-L238 HydrophobicContact CZ-CD1 3.27Å; F218-F268 AromaticContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CZ 4.05Å; F218-F268 AromaticContact CE2-CE2 3.65Å; F218-F268 HydrophobicContact CE2-CE2 3.65Å; F218-F268 AromaticContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CZ-CE2 4.34Å |
| 219 | D | 83.6 | Confident | 78.5 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -66.5 | 99.8 | 177.9 | 173.5 | 7.6 | 0 | 0 | 0 | 109.9 | F215 R222 D223 G224 I226 | F215-D219 HydrophobicContact CD1-CB 3.95Å; F215-D219 HydrophobicContact CE1-CB 3.8Å; F215-D219 WeakPolarHBondContact O-CB 3.25Å; F215-D219 PolarHBondContact O-N 3.21Å; D219-R222 WeakPolarHBondContact OD1-CA 3.31Å; D219-R222 PolarHBondContact OD1-N 2.96Å; D219-D223 PolarHBondContact OD1-N 2.95Å; D219-G224 WeakPolarHBondContact OD2-CA 3.38Å; D219-G224 PolarHBondContact OD2-N 3.07Å; D219-I226 HydrophobicContact CB-CG1 4.35Å | ||
| 220 | R | 81.1 | Confident | 79.8 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -90.3 | -35.8 | -170.5 | -77.2 | -172.5 | 173.1 | -165.2 | -2.2 | 112.8 | F218 E230 E233 | F218-R220 WeakPolarHBondContact O-CG 3.08Å; F218-R220 PolarHBondContact O-N 2.96Å; F218-R220 VanDerWaalsContact O-N 3.08Å; R220-E230 HydrophobicContact CB-CG 4.25Å; R220-E230 PolarHBondContact N-OE1 2.99Å; R220-E233 IonicContact CZ-OE2 3.68Å; R220-E233 IonicContact NE-OE2 3.46Å; R220-E233 IonicContact NH1-OE2 2.7Å; R220-E233 PolarHBondContact NH1-OE2 2.69Å; R220-E233 PolarHBondContact NH2-O 2.83Å |
| 221 | D | 85.3 | Confident | 80.4 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -90.8 | -13.5 | 178.7 | 78.8 | 15.8 | 0 | 0 | 0 | 113.8 | D223 | D221-D223 WeakPolarHBondContact OD1-CB 3.25Å; D221-D223 PolarHBondContact OD1-N 3.33Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å |
| 222 | R | 85.6 | Confident | 80.8 | Confident | 177 Ų | 177 | 65.7 Ų | 65.7 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | trans | 73.3 | 34.4 | 175.1 | -54.8 | -177.8 | 177.9 | -170.4 | -2.4 | 114 | D219 G224 | D219-R222 WeakPolarHBondContact OD1-CA 3.31Å; D219-R222 PolarHBondContact OD1-N 2.96Å; R222-G224 VanDerWaalsContact C-N 3.28Å | ||
| 223 | D | 86.9 | Confident | 81.3 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -75.4 | -14.6 | 171 | 95.7 | -20.9 | 0 | 0 | 0 | 113.8 | D219 D221 R225 | D219-D223 PolarHBondContact OD1-N 2.95Å; D221-D223 WeakPolarHBondContact OD1-CB 3.25Å; D221-D223 PolarHBondContact OD1-N 3.33Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D223-R225 WeakPolarHBondContact OD1-CA 3.43Å; D223-R225 VanDerWaalsContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CB 3.45Å; D223-R225 PolarHBondContact OD1-N 3.41Å |
| 224 | G | 84.6 | Confident | 81.4 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 94.9 | 14.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F215 D219 R222 | F215-G224 VanDerWaalsContact CZ-O 3.3Å; F215-G224 WeakPolarHBondContact CZ-O 3.46Å; D219-G224 WeakPolarHBondContact OD2-CA 3.38Å; D219-G224 PolarHBondContact OD2-N 3.07Å; R222-G224 VanDerWaalsContact C-N 3.28Å |
| 225 | R | 89.2 | Confident | 81.2 | Confident | 85 Ų | 85 | 63 Ų | 63 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 162.7 | 176.4 | -62.1 | 167.7 | 164.6 | -86 | -4.4 | 109.7 | D223 D260 T262 | D223-R225 WeakPolarHBondContact OD1-CA 3.43Å; D223-R225 VanDerWaalsContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CB 3.45Å; D223-R225 PolarHBondContact OD1-N 3.41Å; R225-D260 IonicContact CZ-OD2 2.92Å; R225-D260 VanDerWaalsContact NH1-CG 3.31Å; R225-D260 IonicContact NH1-OD1 3.61Å; R225-D260 PolarHBondContact NH1-OD1 3.33Å; R225-D260 IonicContact NH1-OD2 2.66Å; R225-D260 PolarHBondContact NH1-OD2 2.65Å; R225-D260 IonicContact NH2-OD2 3.42Å; R225-D260 PolarHBondContact NH2-OD2 3.26Å; R225-T262 PolarHBondContact NH1-OG1 2.86Å |
| 226 | I | 86.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.6 | 172.1 | -59.7 | 165 | 0 | 0 | 0 | 108.3 | F215 F218 D219 L231 T262 V263 F268 | F215-I226 HydrophobicContact CD2-CD1 3.58Å; F215-I226 HydrophobicContact CD2-CG1 4.21Å; F215-I226 HydrophobicContact CE1-CG1 4.31Å; F215-I226 HydrophobicContact CE2-CD1 3.51Å; F215-I226 HydrophobicContact CE2-CG1 3.77Å; F215-I226 HydrophobicContact CG-CD1 4.22Å; F215-I226 HydrophobicContact CZ-CD1 4.11Å; F215-I226 HydrophobicContact CZ-CG1 3.84Å; F218-I226 HydrophobicContact CB-CB 4.41Å; F218-I226 HydrophobicContact CB-CD1 3.53Å; F218-I226 HydrophobicContact CB-CG1 3.68Å; F218-I226 HydrophobicContact CB-CG2 3.83Å; F218-I226 HydrophobicContact CD2-CD1 4.19Å; F218-I226 HydrophobicContact CG-CD1 3.97Å; D219-I226 HydrophobicContact CB-CG1 4.35Å; I226-L231 HydrophobicContact CG2-CB 3.96Å; I226-L231 HydrophobicContact CG2-CD1 4.18Å; I226-T262 WeakPolarHBondContact O-CA 3.5Å; I226-V263 HydrophobicContact CB-CB 4.32Å; I226-V263 PolarHBondContact N-O 2.93Å; I226-V263 PolarHBondContact O-N 3.23Å; I226-F268 HydrophobicContact CD1-CD2 3.79Å; I226-F268 HydrophobicContact CD1-CE2 4.1Å; I226-F268 HydrophobicContact CD1-CG 4.49Å |
| 227 | T | 86.4 | Confident | 80.1 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 159.8 | 176 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | A229 E230 L231 T262 | T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.13Å; T227-E230 VanDerWaalsContact CB-OE2 3.3Å; T227-E230 WeakPolarHBondContact CB-OE2 3.4Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.39Å; T227-E230 PolarHBondContact N-OE2 3.31Å; T227-E230 PolarHBondContact O-N 2.84Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.32Å; T227-E230 PolarHBondContact OG1-OE2 2.81Å; T227-L231 VanDerWaalsContact O-CB 3.24Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 PolarHBondContact O-N 3.21Å; T227-T262 HydrophobicContact CG2-CG2 4.08Å |
| 228 | V | 82.5 | Confident | 79.3 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.297 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.5 | -32.6 | 171.4 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | R232 L252 | V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.68Å; V228-R232 VanDerWaalsContact O-N 3.13Å; V228-L252 HydrophobicContact CG2-CD1 3.95Å; V228-L252 HydrophobicContact CG2-CD2 3.55Å; V228-L252 HydrophobicContact CG2-CG 4.26Å |
| 229 | A | 82.9 | Confident | 78.5 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.1 | -49.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T227 R232 E233 | T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.13Å; A229-R232 WeakPolarHBondContact O-CB 3.4Å; A229-R232 PolarHBondContact O-N 3.2Å; A229-E233 WeakPolarHBondContact O-CG 3.24Å; A229-E233 PolarHBondContact O-N 2.87Å |
| 230 | E | 85.3 | Confident | 77.2 | Confident | 15 Ų | 15 | 62 Ų | 62 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | -180 | -66.6 | 162.5 | 111.6 | 0 | 0 | 112.1 | F218 R220 T227 R232 E233 A234 | F218-E230 WeakPolarHBondContact O-CB 3.42Å; R220-E230 HydrophobicContact CB-CG 4.25Å; R220-E230 PolarHBondContact N-OE1 2.99Å; T227-E230 VanDerWaalsContact CB-OE2 3.3Å; T227-E230 WeakPolarHBondContact CB-OE2 3.4Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.39Å; T227-E230 PolarHBondContact N-OE2 3.31Å; T227-E230 PolarHBondContact O-N 2.84Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.32Å; T227-E230 PolarHBondContact OG1-OE2 2.81Å; E230-R232 PolarHBondContact O-N 3.23Å; E230-E233 CarbonylContact O-C 3.52Å; E230-E233 WeakPolarHBondContact O-CA 3.28Å; E230-E233 PolarHBondContact O-N 3.41Å; E230-A234 WeakPolarHBondContact O-CB 3.23Å; E230-A234 PolarHBondContact O-N 3.36Å |
| 231 | L | 77.9 | Confident | 76.4 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.9 | -42.9 | 173.3 | -169 | 55 | 0 | 0 | 0 | 110.6 | F218 I226 T227 A234 V235 L248 M251 L252 | F218-L231 HydrophobicContact CD1-CD1 3.81Å; F218-L231 HydrophobicContact CE1-CD1 4Å; I226-L231 HydrophobicContact CG2-CB 3.96Å; I226-L231 HydrophobicContact CG2-CD1 4.18Å; T227-L231 VanDerWaalsContact O-CB 3.24Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 PolarHBondContact O-N 3.21Å; L231-A234 PolarHBondContact O-N 3.24Å; L231-V235 HydrophobicContact CD1-CG2 4.42Å; L231-V235 WeakPolarHBondContact O-CB 2.97Å; L231-V235 WeakPolarHBondContact O-CG2 3.28Å; L231-V235 PolarHBondContact O-N 3.13Å; L231-L248 HydrophobicContact CG-CD2 4.37Å; L231-M251 HydrophobicContact CD1-CE 3.58Å; L231-M251 HydrophobicContact CD2-CE 3.48Å; L231-M251 VanDerWaalsContact CD2-CE 3.48Å; L231-M251 HydrophobicContact CG-CE 3.48Å; L231-M251 VanDerWaalsContact CG-CE 3.48Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å |
| 232 | R | 76.4 | Confident | 75.2 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.4 | -22.3 | 175.5 | -175.6 | 172.4 | -177.3 | -160.7 | -1.2 | 114.6 | V228 A229 E230 P236 L248 | V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.68Å; V228-R232 VanDerWaalsContact O-N 3.13Å; A229-R232 WeakPolarHBondContact O-CB 3.4Å; A229-R232 PolarHBondContact O-N 3.2Å; E230-R232 PolarHBondContact O-N 3.23Å; R232-P236 WeakPolarHBondContact O-CD 3.31Å; R232-P236 WeakPolarHBondContact O-CG 3.29Å; R232-L248 HydrophobicContact CB-CD1 3.85Å; R232-L248 HydrophobicContact CG-CD1 3.63Å |
| 233 | E | 78.3 | Confident | 74.3 | Confident | 112 Ų | 112 | 54.1 Ų | 54.1 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -89.6 | -25.3 | 173.9 | -70 | -166.8 | 156.5 | 0 | 0 | 113.6 | R220 A229 E230 | R220-E233 IonicContact CZ-OE2 3.68Å; R220-E233 IonicContact NE-OE2 3.46Å; R220-E233 IonicContact NH1-OE2 2.7Å; R220-E233 PolarHBondContact NH1-OE2 2.69Å; R220-E233 PolarHBondContact NH2-O 2.83Å; A229-E233 WeakPolarHBondContact O-CG 3.24Å; A229-E233 PolarHBondContact O-N 2.87Å; E230-E233 CarbonylContact O-C 3.52Å; E230-E233 WeakPolarHBondContact O-CA 3.28Å; E230-E233 PolarHBondContact O-N 3.41Å |
| 234 | A | 73.3 | Confident | 73.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.1 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F218 E230 L231 P236 A237 L238 | F218-A234 HydrophobicContact CD1-CB 3.6Å; F218-A234 HydrophobicContact CE1-CB 4.13Å; F218-A234 HydrophobicContact CG-CB 4.29Å; E230-A234 WeakPolarHBondContact O-CB 3.23Å; E230-A234 PolarHBondContact O-N 3.36Å; L231-A234 PolarHBondContact O-N 3.24Å; A234-P236 VanDerWaalsContact C-CD 3.49Å; A234-A237 WeakPolarHBondContact O-CB 3.41Å; A234-A237 PolarHBondContact O-N 3.28Å; A234-L238 HydrophobicContact CB-CD1 4.17Å; A234-L238 WeakPolarHBondContact O-CG 3.29Å; A234-L238 PolarHBondContact O-N 3.38Å; A234-L238 VanDerWaalsContact O-N 3.08Å |
| 235 | V | 69.3 | Low | 72.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -46.7 | -47.6 | 179.5 | 149.6 | 0 | 0 | 0 | 0 | 114.2 | L231 A237 L238 L239 L243 L248 M251 | L231-V235 HydrophobicContact CD1-CG2 4.42Å; L231-V235 WeakPolarHBondContact O-CB 2.97Å; L231-V235 WeakPolarHBondContact O-CG2 3.28Å; L231-V235 PolarHBondContact O-N 3.13Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 2.91Å; V235-L238 PolarHBondContact O-N 2.88Å; V235-L238 VanDerWaalsContact O-N 3.12Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.43Å; V235-L239 WeakPolarHBondContact O-CB 3.32Å; V235-L239 PolarHBondContact O-N 3.2Å; V235-L243 HydrophobicContact CG1-CB 3.94Å; V235-L243 HydrophobicContact CG1-CD1 3.81Å; V235-L243 HydrophobicContact CG1-CG 3.64Å; V235-L243 HydrophobicContact CG2-CD1 4.14Å; V235-L248 HydrophobicContact CG2-CD2 4.13Å; V235-M251 HydrophobicContact CG2-CE 4.07Å |
| 236 | P | 67.9 | Low | 72.1 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -30.5 | -179.6 | -19.6 | 32.1 | 0 | 0 | 0 | 113.2 | R232 A234 L238 G240 P242 | R232-P236 WeakPolarHBondContact O-CD 3.31Å; R232-P236 WeakPolarHBondContact O-CG 3.29Å; A234-P236 VanDerWaalsContact C-CD 3.49Å; P236-L238 VanDerWaalsContact C-N 3.35Å; P236-G240 CarbonylContact O-C 3.47Å; P236-G240 VanDerWaalsContact O-CA 3.27Å; P236-G240 WeakPolarHBondContact O-CA 3.36Å; P236-G240 PolarHBondContact O-N 3.32Å; P236-P242 HydrophobicContact CB-CB 4.31Å; P236-P242 HydrophobicContact CG-CB 4.02Å |
| 237 | A | 65 | Low | 71.4 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.6 | -29.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R118 A234 V235 | R118-A237 PolarHBondContact NH1-O 2.99Å; A234-A237 WeakPolarHBondContact O-CB 3.41Å; A234-A237 PolarHBondContact O-N 3.28Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 2.91Å |
| 238 | L | 61 | Low | 70.8 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -93.3 | -44.9 | -173.9 | -64.9 | 170.5 | 0 | 0 | 0 | 113.3 | L115 R118 V119 F218 A234 V235 P236 | L115-L238 HydrophobicContact CB-CB 4.24Å; L115-L238 HydrophobicContact CD1-CB 4.42Å; L115-L238 HydrophobicContact CD1-CD1 4.3Å; L115-L238 HydrophobicContact CG-CB 4.15Å; L115-L238 HydrophobicContact CG-CD1 4.26Å; R118-L238 WeakPolarHBondContact CD-O 3.28Å; V119-L238 HydrophobicContact CG2-CD2 4.04Å; F218-L238 HydrophobicContact CD1-CD1 4.18Å; F218-L238 HydrophobicContact CE1-CD1 3.37Å; F218-L238 HydrophobicContact CE2-CD1 4.02Å; F218-L238 HydrophobicContact CZ-CD1 3.27Å; A234-L238 HydrophobicContact CB-CD1 4.17Å; A234-L238 WeakPolarHBondContact O-CG 3.29Å; A234-L238 PolarHBondContact O-N 3.38Å; A234-L238 VanDerWaalsContact O-N 3.08Å; V235-L238 PolarHBondContact O-N 2.88Å; V235-L238 VanDerWaalsContact O-N 3.12Å; P236-L238 VanDerWaalsContact C-N 3.35Å |
| 239 | L | 59.1 | Low | 70.5 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -85.2 | -17.3 | 176.2 | -60 | -174.6 | 0 | 0 | 0 | 113.7 | T111 P114 L115 V235 E241 L243 | T111-L239 WeakPolarHBondContact O-CD1 3.38Å; T111-L239 WeakPolarHBondContact O-CD2 3.39Å; P114-L239 HydrophobicContact CB-CD2 3.72Å; P114-L239 HydrophobicContact CG-CD2 3.99Å; L115-L239 HydrophobicContact CB-CD2 3.42Å; L115-L239 VanDerWaalsContact CB-CD2 3.42Å; L115-L239 HydrophobicContact CB-CG 4.32Å; L115-L239 VanDerWaalsContact N-CD2 3.31Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.43Å; V235-L239 WeakPolarHBondContact O-CB 3.32Å; V235-L239 PolarHBondContact O-N 3.2Å; L239-E241 PolarHBondContact O-N 2.99Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CD2 3.99Å; L239-L243 HydrophobicContact CD1-CG 3.77Å |
| 240 | G | 58 | Low | 70.2 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 79.3 | -19.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | P236 | P236-G240 CarbonylContact O-C 3.47Å; P236-G240 VanDerWaalsContact O-CA 3.27Å; P236-G240 WeakPolarHBondContact O-CA 3.36Å; P236-G240 PolarHBondContact O-N 3.32Å |
| 241 | E | 62.3 | Low | 69.6 | Low | 144 Ų | 144 | 58.2 Ų | 58.2 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -120.7 | 145.6 | 173.2 | -71.7 | -70.8 | 173.4 | 0 | 0 | 110.1 | L239 | L239-E241 PolarHBondContact O-N 2.99Š|
| 242 | P | 61.5 | Low | 69.6 | Low | 89 Ų | 89 | 58.2 Ų | 58.2 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 120.6 | 176.1 | 31.7 | -31.8 | 0 | 0 | 0 | 111.3 | P236 | P236-P242 HydrophobicContact CB-CB 4.31Å; P236-P242 HydrophobicContact CG-CB 4.02Å |
| 243 | L | 65.6 | Low | 69.7 | Low | 28 Ų | 28 | 60.7 Ų | 60.7 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 146.1 | 169.5 | -67.8 | 174.4 | 0 | 0 | 0 | 111.4 | T111 V235 L239 E247 L248 M251 | T111-L243 HydrophobicContact CG2-CD1 3.76Å; T111-L243 HydrophobicContact CG2-CD2 4.22Å; V235-L243 HydrophobicContact CG1-CB 3.94Å; V235-L243 HydrophobicContact CG1-CD1 3.81Å; V235-L243 HydrophobicContact CG1-CG 3.64Å; V235-L243 HydrophobicContact CG2-CD1 4.14Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CD2 3.99Å; L239-L243 HydrophobicContact CD1-CG 3.77Å; L243-E247 HydrophobicContact CB-CB 4.34Å; L243-E247 HydrophobicContact CD2-CB 4.42Å; L243-L248 HydrophobicContact CB-CD1 4.23Å; L243-L248 HydrophobicContact CB-CD2 4.16Å; L243-L248 HydrophobicContact CB-CG 3.82Å; L243-L248 HydrophobicContact CD1-CD2 4.02Å; L243-L248 HydrophobicContact CD1-CG 4.38Å; L243-M251 HydrophobicContact CD1-CE 4.4Å; L243-M251 HydrophobicContact CD1-SD 3.63Å |
| 244 | A | 68.7 | Low | 69.6 | Low | 43 Ų | 43 | 59 Ų | 59 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 154.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P246 E247 L248 | A244-P246 HydrophobicContact CB-CG 4.31Å; A244-E247 HydrophobicContact CB-CG 4.13Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.94Å; A244-E247 WeakPolarHBondContact O-CB 3.33Å; A244-E247 PolarHBondContact O-N 2.84Å; A244-L248 PolarHBondContact O-N 2.59Å |
| 245 | G | 71.2 | Confident | 69.7 | Low | 29 Ų | 29 | 59.3 Ų | 59.3 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -45.8 | -53.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E247 L248 D249 | G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 PolarHBondContact O-N 2.65Å; G245-L248 PolarHBondContact O-N 3.19Å; G245-D249 PolarHBondContact O-N 3.09Å |
| 246 | P | 75.4 | Confident | 70.4 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 60% | 0.597 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.2 | -24.6 | 179.3 | 27 | -36.3 | 0 | 0 | 0 | 114.1 | A244 E250 | A244-P246 HydrophobicContact CB-CG 4.31Å; P246-E250 WeakPolarHBondContact O-CB 3.34Å; P246-E250 PolarHBondContact O-N 2.88Å |
| 247 | E | 71.9 | Confident | 71 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.1 | -40.4 | 175.8 | -63.6 | 167.3 | 162.3 | 0 | 0 | 109.7 | L243 A244 G245 E250 M251 | L243-E247 HydrophobicContact CB-CB 4.34Å; L243-E247 HydrophobicContact CD2-CB 4.42Å; A244-E247 HydrophobicContact CB-CG 4.13Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.94Å; A244-E247 WeakPolarHBondContact O-CB 3.33Å; A244-E247 PolarHBondContact O-N 2.84Å; G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 PolarHBondContact O-N 2.65Å; E247-E250 PolarHBondContact O-N 2.72Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 2.75Å |
| 248 | L | 73.3 | Confident | 71.9 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 171.9 | -70.1 | 157 | 0 | 0 | 0 | 112.6 | L231 R232 V235 L243 A244 G245 E250 M251 L252 | L231-L248 HydrophobicContact CG-CD2 4.37Å; R232-L248 HydrophobicContact CB-CD1 3.85Å; R232-L248 HydrophobicContact CG-CD1 3.63Å; V235-L248 HydrophobicContact CG2-CD2 4.13Å; L243-L248 HydrophobicContact CB-CD1 4.23Å; L243-L248 HydrophobicContact CB-CD2 4.16Å; L243-L248 HydrophobicContact CB-CG 3.82Å; L243-L248 HydrophobicContact CD1-CD2 4.02Å; L243-L248 HydrophobicContact CD1-CG 4.38Å; A244-L248 PolarHBondContact O-N 2.59Å; G245-L248 PolarHBondContact O-N 3.19Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-M251 HydrophobicContact CD2-CE 3.95Å; L248-M251 PolarHBondContact O-N 2.97Å; L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 PolarHBondContact O-N 2.91Å |
| 249 | D | 75.9 | Confident | 73.1 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.2 | -30.3 | 175.9 | -70.2 | -33.4 | 0 | 0 | 0 | 112.7 | G245 R253 | G245-D249 PolarHBondContact O-N 3.09Å; D249-R253 WeakPolarHBondContact O-CG 3.17Å; D249-R253 PolarHBondContact O-N 3.49Å |
| 250 | E | 77.2 | Confident | 74.3 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -76.9 | -42.2 | 171.8 | -171.4 | 160.7 | -138.5 | 0 | 0 | 110.6 | P246 E247 L248 L252 R253 E254 | P246-E250 WeakPolarHBondContact O-CB 3.34Å; P246-E250 PolarHBondContact O-N 2.88Å; E247-E250 PolarHBondContact O-N 2.72Å; L248-E250 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.84Å; E250-R253 WeakPolarHBondContact O-CB 3.28Å; E250-R253 PolarHBondContact O-N 3.16Å; E250-E254 PolarHBondContact O-N 3.25Å |
| 251 | M | 73.1 | Confident | 75.6 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.054 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 176 | -159.6 | 175.9 | 83.8 | 0 | 0 | 111.9 | T111 Y112 L231 V235 L243 E247 L248 R253 E254 | T111-M251 HydrophobicContact CG2-CG 4.15Å; T111-M251 HydrophobicContact CG2-SD 3.56Å; T111-M251 VanDerWaalsContact CG2-SD 3.56Å; Y112-M251 HydrophobicContact CD1-CG 4.38Å; Y112-M251 HydrophobicContact CD1-SD 4.21Å; Y112-M251 HydrophobicContact CE1-CE 4.48Å; Y112-M251 HydrophobicContact CE1-CG 3.31Å; Y112-M251 HydrophobicContact CE1-SD 3.64Å; Y112-M251 VanDerWaalsContact CZ-CG 3.47Å; Y112-M251 WeakPolarHBondContact OH-CG 3.2Å; Y112-M251 PolarHBondContact OH-O 2.9Å; L231-M251 HydrophobicContact CD1-CE 3.58Å; L231-M251 HydrophobicContact CD2-CE 3.48Å; L231-M251 VanDerWaalsContact CD2-CE 3.48Å; L231-M251 HydrophobicContact CG-CE 3.48Å; L231-M251 VanDerWaalsContact CG-CE 3.48Å; V235-M251 HydrophobicContact CG2-CE 4.07Å; L243-M251 HydrophobicContact CD1-CE 4.4Å; L243-M251 HydrophobicContact CD1-SD 3.63Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 2.75Å; L248-M251 HydrophobicContact CD2-CE 3.95Å; L248-M251 PolarHBondContact O-N 2.97Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 2.95Å; M251-E254 PolarHBondContact O-N 2.51Å |
| 252 | L | 76.7 | Confident | 76.8 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.8 | -160.4 | 89.2 | 0 | 0 | 0 | 111.2 | V228 L231 L248 E250 E254 V255 D256 V263 | V228-L252 HydrophobicContact CG2-CD1 3.95Å; V228-L252 HydrophobicContact CG2-CD2 3.55Å; V228-L252 HydrophobicContact CG2-CG 4.26Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å; L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 PolarHBondContact O-N 2.91Å; E250-L252 PolarHBondContact O-N 2.84Å; L252-E254 PolarHBondContact O-N 3.45Å; L252-V255 PolarHBondContact O-N 3.05Å; L252-D256 HydrophobicContact CG-CB 4.36Å; L252-D256 VanDerWaalsContact O-CB 3.29Å; L252-D256 WeakPolarHBondContact O-CB 3.49Å; L252-D256 PolarHBondContact O-N 3.07Å; L252-V263 HydrophobicContact CD1-CG2 3.88Å |
| 253 | R | 79.6 | Confident | 78 | Confident | 206 Ų | 206 | 58.8 Ų | 58.8 | 78% | 0.777 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.3 | -17.4 | 178.9 | -89.1 | -170.9 | 173.1 | 112.1 | 1.9 | 115.5 | D249 E250 M251 | D249-R253 WeakPolarHBondContact O-CG 3.17Å; D249-R253 PolarHBondContact O-N 3.49Å; E250-R253 WeakPolarHBondContact O-CB 3.28Å; E250-R253 PolarHBondContact O-N 3.16Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 2.95Å |
| 254 | E | 76.2 | Confident | 79 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -90.3 | -10.9 | 175 | -68.1 | -161.1 | 143.1 | 0 | 0 | 113.2 | E250 M251 L252 | E250-E254 PolarHBondContact O-N 3.25Å; M251-E254 PolarHBondContact O-N 2.51Å; L252-E254 PolarHBondContact O-N 3.45Å |
| 255 | V | 75.2 | Confident | 79.6 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -120.5 | -37.6 | -172.5 | -176.5 | 0 | 0 | 0 | 0 | 113.2 | Y112 L252 L257 V263 E267 M271 | Y112-V255 WeakPolarHBondContact OH-CG2 3.15Å; L252-V255 PolarHBondContact O-N 3.05Å; V255-L257 WeakPolarHBondContact O-CG 3.35Å; V255-L257 PolarHBondContact O-N 2.87Å; V255-V263 HydrophobicContact CB-CG2 4.12Å; V255-V263 HydrophobicContact CG1-CB 4.34Å; V255-V263 HydrophobicContact CG1-CG1 3.62Å; V255-V263 HydrophobicContact CG1-CG2 3.73Å; V255-E267 HydrophobicContact CG1-CB 4.42Å; V255-M271 HydrophobicContact CG1-CB 3.93Å; V255-M271 HydrophobicContact CG1-CG 4.44Å; V255-M271 HydrophobicContact CG1-SD 4.27Å; V255-M271 HydrophobicContact CG2-CB 4.07Å; V255-M271 HydrophobicContact CG2-CG 3.82Å; V255-M271 HydrophobicContact CG2-SD 3.72Å |
| 256 | D | 83.8 | Confident | 80.1 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | trans | -66.8 | 93.9 | 169.3 | 177.2 | 12.4 | 0 | 0 | 0 | 108.8 | L252 G259 D260 G261 | L252-D256 HydrophobicContact CG-CB 4.36Å; L252-D256 VanDerWaalsContact O-CB 3.29Å; L252-D256 WeakPolarHBondContact O-CB 3.49Å; L252-D256 PolarHBondContact O-N 3.07Å; D256-G259 WeakPolarHBondContact OD1-CA 3.18Å; D256-G259 PolarHBondContact OD1-N 3.48Å; D256-D260 PolarHBondContact OD1-N 3.23Å; D256-G261 WeakPolarHBondContact OD2-CA 3.45Å; D256-G261 PolarHBondContact OD2-N 2.99Å | ||
| 257 | L | 81.3 | Confident | 80.5 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 56% | 0.56 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -87.2 | -28.1 | -178.8 | -62.5 | -177.8 | 0 | 0 | 0 | 111.2 | V255 E267 M270 | V255-L257 WeakPolarHBondContact O-CG 3.35Å; V255-L257 PolarHBondContact O-N 2.87Å; L257-E267 HydrophobicContact CB-CG 4.4Å; L257-E267 HydrophobicContact CG-CG 4.48Å; L257-E267 PolarHBondContact N-OE1 3.44Å; L257-M270 HydrophobicContact CD1-CE 3.75Å; L257-M270 HydrophobicContact CD1-SD 3.83Å |
| 258 | N | 83.5 | Confident | 80.7 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -84.1 | -28.2 | -177.3 | 83.6 | 74.9 | 0 | 0 | 0 | 112.8 | D260 E267 | N258-D260 WeakPolarHBondContact OD1-CB 3.34Å; N258-D260 PolarHBondContact OD1-N 3.34Å; N258-D260 PolarHBondContact OD1-OD2 3.48Å; N258-D260 VanDerWaalsContact OD1-OD2 3.1Å; N258-E267 PolarHBondContact N-OE1 3.38Å; N258-E267 VanDerWaalsContact ND2-CD 3.31Å; N258-E267 PolarHBondContact ND2-OE1 3.04Å; N258-E267 PolarHBondContact ND2-OE2 3.39Å; N258-E267 VanDerWaalsContact ND2-OE2 3.16Å |
| 259 | G | 84.8 | Confident | 80.7 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 64% | 0.639 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 92.6 | 19.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D256 | D256-G259 WeakPolarHBondContact OD1-CA 3.18Å; D256-G259 PolarHBondContact OD1-N 3.48Å |
| 260 | D | 86.1 | Confident | 80.5 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -89.8 | -5.8 | -177.2 | 76.3 | 29.2 | 0 | 0 | 0 | 115.4 | R225 D256 N258 T262 | R225-D260 IonicContact CZ-OD2 2.92Å; R225-D260 VanDerWaalsContact NH1-CG 3.31Å; R225-D260 IonicContact NH1-OD1 3.61Å; R225-D260 PolarHBondContact NH1-OD1 3.33Å; R225-D260 IonicContact NH1-OD2 2.66Å; R225-D260 PolarHBondContact NH1-OD2 2.65Å; R225-D260 IonicContact NH2-OD2 3.42Å; R225-D260 PolarHBondContact NH2-OD2 3.26Å; D256-D260 PolarHBondContact OD1-N 3.23Å; N258-D260 WeakPolarHBondContact OD1-CB 3.34Å; N258-D260 PolarHBondContact OD1-N 3.34Å; N258-D260 PolarHBondContact OD1-OD2 3.48Å; N258-D260 VanDerWaalsContact OD1-OD2 3.1Å; D260-T262 PolarHBondContact OD1-N 3.2Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å |
| 261 | G | 84 | Confident | 80.1 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 81.6 | 13.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D256 | D256-G261 WeakPolarHBondContact OD2-CA 3.45Å; D256-G261 PolarHBondContact OD2-N 2.99Å |
| 262 | T | 86.9 | Confident | 79.6 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 174.8 | 164.5 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | R225 I226 T227 D260 | R225-T262 PolarHBondContact NH1-OG1 2.86Å; I226-T262 WeakPolarHBondContact O-CA 3.5Å; T227-T262 HydrophobicContact CG2-CG2 4.08Å; D260-T262 PolarHBondContact OD1-N 3.2Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å |
| 263 | V | 86.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.1 | 171.8 | 170.9 | 0 | 0 | 0 | 0 | 108 | I226 L252 V255 E267 F268 | I226-V263 HydrophobicContact CB-CB 4.32Å; I226-V263 PolarHBondContact N-O 2.93Å; I226-V263 PolarHBondContact O-N 3.23Å; L252-V263 HydrophobicContact CD1-CG2 3.88Å; V255-V263 HydrophobicContact CB-CG2 4.12Å; V255-V263 HydrophobicContact CG1-CB 4.34Å; V255-V263 HydrophobicContact CG1-CG1 3.62Å; V255-V263 HydrophobicContact CG1-CG2 3.73Å; V263-E267 HydrophobicContact CG1-CB 4.05Å; V263-F268 HydrophobicContact CG1-CB 4.02Å |
| 264 | D | 87.4 | Confident | 77.2 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 176.2 | 173.8 | 82 | 29.8 | 0 | 0 | 0 | 112.8 | D266 E267 F268 | D264-D266 PolarHBondContact O-N 3.33Å; D264-D266 WeakPolarHBondContact OD1-CA 3.43Å; D264-D266 PolarHBondContact OD1-N 3.19Å; D264-E267 PolarHBondContact N-OE2 3.28Å; D264-E267 PolarHBondContact O-N 2.93Å; D264-E267 PolarHBondContact OD1-N 2.86Å; D264-F268 WeakPolarHBondContact O-CB 3.35Å; D264-F268 PolarHBondContact O-N 3.24Å |
| 265 | F | 82.3 | Confident | 75.5 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | -177.8 | -179.3 | -102.4 | 0 | 0 | 0 | 113.4 | V208 L211 R212 F215 F268 V269 | V208-F265 HydrophobicContact CG1-CE1 4.17Å; V208-F265 HydrophobicContact CG1-CZ 4.12Å; L211-F265 HydrophobicContact CB-CE2 4.05Å; L211-F265 HydrophobicContact CB-CZ 3.97Å; R212-F265 HydrophobicContact CB-CE2 4.26Å; R212-F265 HydrophobicContact CG-CD2 4.09Å; R212-F265 HydrophobicContact CG-CE1 4.33Å; R212-F265 HydrophobicContact CG-CE2 3.43Å; R212-F265 VanDerWaalsContact CG-CE2 3.43Å; R212-F265 HydrophobicContact CG-CZ 3.56Å; F215-F265 HydrophobicContact CB-CD2 4.13Å; F215-F265 HydrophobicContact CB-CE2 4.43Å; F215-F265 HydrophobicContact CD2-CB 4.42Å; F215-F265 AromaticContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CE2-CB 4.21Å; F215-F265 AromaticContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CZ-CB 4.46Å; F265-F268 PolarHBondContact O-N 2.88Å; F265-V269 HydrophobicContact CD1-CG2 4.23Å; F265-V269 HydrophobicContact CD2-CG2 4.45Å; F265-V269 HydrophobicContact CE1-CG2 3.65Å; F265-V269 HydrophobicContact CE2-CG2 3.87Å; F265-V269 HydrophobicContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.44Å; F265-V269 PolarHBondContact O-N 3.47Å |
| 266 | D | 80.5 | Confident | 75.5 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -73.6 | -34.5 | -179.2 | -71.5 | -24.6 | 0 | 0 | 0 | 110.3 | D264 V269 M270 | D264-D266 PolarHBondContact O-N 3.33Å; D264-D266 WeakPolarHBondContact OD1-CA 3.43Å; D264-D266 PolarHBondContact OD1-N 3.19Å; D266-V269 PolarHBondContact O-N 2.87Å; D266-M270 HydrophobicContact CB-CE 4.3Å; D266-M270 WeakPolarHBondContact O-CB 3.29Å; D266-M270 WeakPolarHBondContact O-CE 3.38Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.24Å; D266-M270 PolarHBondContact O-N 2.87Å |
| 267 | E | 83.8 | Confident | 75.1 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 170.5 | -70.8 | 175.6 | 146.1 | 0 | 0 | 112.5 | V255 L257 N258 V263 D264 M270 M271 | V255-E267 HydrophobicContact CG1-CB 4.42Å; L257-E267 HydrophobicContact CB-CG 4.4Å; L257-E267 HydrophobicContact CG-CG 4.48Å; L257-E267 PolarHBondContact N-OE1 3.44Å; N258-E267 PolarHBondContact N-OE1 3.38Å; N258-E267 VanDerWaalsContact ND2-CD 3.31Å; N258-E267 PolarHBondContact ND2-OE1 3.04Å; N258-E267 PolarHBondContact ND2-OE2 3.39Å; N258-E267 VanDerWaalsContact ND2-OE2 3.16Å; V263-E267 HydrophobicContact CG1-CB 4.05Å; D264-E267 PolarHBondContact N-OE2 3.28Å; D264-E267 PolarHBondContact O-N 2.93Å; D264-E267 PolarHBondContact OD1-N 2.86Å; E267-M270 HydrophobicContact CG-CE 4.32Å; E267-M270 PolarHBondContact O-N 3.25Å; E267-M271 PolarHBondContact O-N 3.38Å |
| 268 | F | 77.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 172.8 | -175.4 | -99.2 | 0 | 0 | 0 | 111.8 | A214 F215 F218 I226 V263 D264 F265 M271 L272 | A214-F268 HydrophobicContact CB-CE1 4.01Å; A214-F268 HydrophobicContact CB-CZ 3.95Å; F215-F268 HydrophobicContact CB-CD1 4.2Å; F215-F268 HydrophobicContact CB-CE1 4.12Å; F215-F268 HydrophobicContact CD2-CB 3.72Å; F215-F268 AromaticContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD2 4.19Å; F215-F268 HydrophobicContact CD2-CE1 4.48Å; F215-F268 AromaticContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CE2-CB 3.97Å; F215-F268 HydrophobicContact CE2-CG 4.36Å; F218-F268 AromaticContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CZ 4.05Å; F218-F268 AromaticContact CE2-CE2 3.65Å; F218-F268 HydrophobicContact CE2-CE2 3.65Å; F218-F268 AromaticContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CZ-CE2 4.34Å; I226-F268 HydrophobicContact CD1-CD2 3.79Å; I226-F268 HydrophobicContact CD1-CE2 4.1Å; I226-F268 HydrophobicContact CD1-CG 4.49Å; V263-F268 HydrophobicContact CG1-CB 4.02Å; D264-F268 WeakPolarHBondContact O-CB 3.35Å; D264-F268 PolarHBondContact O-N 3.24Å; F265-F268 PolarHBondContact O-N 2.88Å; F268-M271 HydrophobicContact CD2-CE 3.62Å; F268-M271 HydrophobicContact CE2-CE 3.72Å; F268-M271 HydrophobicContact CG-CE 4.34Å; F268-M271 WeakPolarHBondContact O-CB 3.12Å; F268-M271 PolarHBondContact O-N 3.08Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.44Å; F268-L272 VanDerWaalsContact CE1-CD1 3.44Å; F268-L272 HydrophobicContact CG-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 VanDerWaalsContact O-CG 3.27Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.04Å |
| 269 | V | 73.3 | Confident | 74.2 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L211 F265 D266 L272 S273 | L211-V269 HydrophobicContact CB-CG2 4.16Å; L211-V269 HydrophobicContact CD1-CG1 4.36Å; L211-V269 HydrophobicContact CD1-CG2 4.01Å; L211-V269 HydrophobicContact CD2-CG2 4.5Å; L211-V269 HydrophobicContact CG-CG2 4.45Å; F265-V269 HydrophobicContact CD1-CG2 4.23Å; F265-V269 HydrophobicContact CD2-CG2 4.45Å; F265-V269 HydrophobicContact CE1-CG2 3.65Å; F265-V269 HydrophobicContact CE2-CG2 3.87Å; F265-V269 HydrophobicContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.44Å; F265-V269 PolarHBondContact O-N 3.47Å; D266-V269 PolarHBondContact O-N 2.87Å; V269-L272 PolarHBondContact O-N 3.27Å; V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.22Å; V269-S273 PolarHBondContact O-N 3.04Å; V269-S273 PolarHBondContact O-OG 2.84Å |
| 270 | M | 71.7 | Confident | 73.6 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 176.1 | -78.7 | -175.3 | -77.9 | 0 | 0 | 113.2 | L257 D266 E267 L272 R274 | L257-M270 HydrophobicContact CD1-CE 3.75Å; L257-M270 HydrophobicContact CD1-SD 3.83Å; D266-M270 HydrophobicContact CB-CE 4.3Å; D266-M270 WeakPolarHBondContact O-CB 3.29Å; D266-M270 WeakPolarHBondContact O-CE 3.38Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.24Å; D266-M270 PolarHBondContact O-N 2.87Å; E267-M270 HydrophobicContact CG-CE 4.32Å; E267-M270 PolarHBondContact O-N 3.25Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-R274 WeakPolarHBondContact O-CB 3.38Å |
| 271 | M | 68.3 | Low | 72.7 | Confident | 39 Ų | 39 | 60 Ų | 60 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 169.3 | 176.2 | -172.1 | 69 | 0 | 0 | 111.2 | Y112 V255 E267 F268 | Y112-M271 HydrophobicContact CD1-SD 4.02Å; Y112-M271 HydrophobicContact CE1-SD 3.63Å; V255-M271 HydrophobicContact CG1-CB 3.93Å; V255-M271 HydrophobicContact CG1-CG 4.44Å; V255-M271 HydrophobicContact CG1-SD 4.27Å; V255-M271 HydrophobicContact CG2-CB 4.07Å; V255-M271 HydrophobicContact CG2-CG 3.82Å; V255-M271 HydrophobicContact CG2-SD 3.72Å; E267-M271 PolarHBondContact O-N 3.38Å; F268-M271 HydrophobicContact CD2-CE 3.62Å; F268-M271 HydrophobicContact CE2-CE 3.72Å; F268-M271 HydrophobicContact CG-CE 4.34Å; F268-M271 WeakPolarHBondContact O-CB 3.12Å; F268-M271 PolarHBondContact O-N 3.08Å |
| 272 | L | 62.3 | Low | 71.9 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.2 | -28.9 | -176.5 | -64.3 | 175.3 | 0 | 0 | 0 | 113.5 | L116 F120 L211 F268 V269 M270 R274 | L116-L272 HydrophobicContact CD2-CD2 3.19Å; F120-L272 HydrophobicContact CE2-CD1 3.86Å; F120-L272 HydrophobicContact CE2-CD2 3.8Å; F120-L272 HydrophobicContact CE2-CG 4.48Å; F120-L272 HydrophobicContact CZ-CD1 3.81Å; L211-L272 HydrophobicContact CD2-CB 4.27Å; L211-L272 HydrophobicContact CD2-CD1 3.4Å; L211-L272 HydrophobicContact CD2-CG 4.46Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.44Å; F268-L272 VanDerWaalsContact CE1-CD1 3.44Å; F268-L272 HydrophobicContact CG-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 VanDerWaalsContact O-CG 3.27Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.04Å; V269-L272 PolarHBondContact O-N 3.27Å; M270-L272 VanDerWaalsContact C-N 3.33Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.86Å |
| 273 | S | 53.4 | Low | 70.8 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2 | -178.3 | -52.5 | 0 | 0 | 0 | 0 | 114.3 | V269 H275 | V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.22Å; V269-S273 PolarHBondContact O-N 3.04Å; V269-S273 PolarHBondContact O-OG 2.84Å; S273-H275 VanDerWaalsContact C-N 3.27Å; S273-H275 PolarHBondContact O-N 3.32Å |
| 274 | R | 52.3 | Low | 69.4 | Low | 186 Ų | 186 | 70 Ų | 70 | 70% | 0.702 | 34% | 0.344 | S | S | * | . | trans | -93.5 | 37.9 | -171.6 | -161.9 | 172.2 | 175 | -177.4 | -3.8 | 112.4 | M270 L272 | M270-R274 WeakPolarHBondContact O-CB 3.38Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.86Å | ||
| 275 | H | 40.5 | Very low | 67.8 | Low | 173 Ų | 173 | 72.3 Ų | 72.3 | 80% | 0.801 | 35% | 0.353 | S | S | * | . | trans | -129.1 | 0 | -164.6 | -127.5 | -60 | 0 | 0 | 0 | 113.6 | Q109 S273 | Q109-H275 PolarHBondContact NE2-CE1 3.24Å; Q109-H275 PolarHBondContact NE2-NE2 3.49Å; Q109-H275 PolarHBondContact OE1-CE1 3.04Å; Q109-H275 PolarHBondContact OE1-NE2 2.88Å; S273-H275 VanDerWaalsContact C-N 3.27Å; S273-H275 PolarHBondContact O-N 3.32Å |
Retrieved 275 of 275 residues in 533.6 ms
(Link to these results)