| 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 | 39.6 | Very low | 35.2 | Very low | 232 Ų | 232 | 151.5 Ų | 151.5 | 100% | 1.143 | 82% | 0.824 | S | S | * | * | 0 | 120.7 | 0 | -64.2 | 66.2 | 170 | 0 | 0 | 105.8 | |||||
| 2 | R | 33 | Very low | 34.8 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 46.3 | 133 | 74.4 | -79.1 | -168 | -177.4 | -177.2 | 2.2 | 112.3 | |||||
| 3 | N | 33.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -174.8 | 145.1 | -14.3 | -127.4 | 37.9 | 0 | 0 | 0 | 106.1 | ||||
| 4 | T | 38.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -151.5 | 139.4 | 148.9 | 34.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | T | 38.9 | Very low | 34 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -108.3 | 173.6 | -168 | 41.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | S | 39.6 | Very low | 33.7 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 170.6 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | D | 32.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | -156.2 | 160.7 | 84.2 | -87.1 | -21.8 | 0 | 0 | 0 | 116.9 | |||||
| 8 | R | 37.5 | Very low | 33.3 | Very low | 226 Ų | 226 | 146.6 Ų | 146.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -103.4 | 166.7 | 170.9 | -65.1 | 174.9 | 163.6 | 99.5 | -4.9 | 109.5 | ||||
| 9 | V | 30.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 155.9 | 130.5 | 130.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | S | 35 | Very low | 32.9 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -124.5 | 169.4 | -167.2 | -50.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 11 | G | 28.6 | Very low | 32.8 | Very low | 66 Ų | 66 | 147.4 Ų | 147.4 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 173.4 | 119.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 12 | E | 29.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | 61.4 | 133.3 | 53.4 | -65.1 | -150.7 | 131.4 | 0 | 0 | 112.8 | |||||
| 13 | R | 33.9 | Very low | 32 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 64% | 0.638 | 80% | 0.799 | S | S | * | * | cis | -173.6 | 164.5 | 11 | -120.3 | 172 | -177.4 | -153.8 | 27.6 | 114.5 | ||||
| 14 | H | 31.3 | Very low | 31.8 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | 69 | 153.6 | 154 | -57.2 | -17.8 | 0 | 0 | 0 | 118.6 | ||||
| 15 | G | 27.3 | Very low | 31.3 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | cis | -180 | -170.8 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | A | 30.2 | Very low | 30.8 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -172.6 | 140.1 | -16.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | K | 30.3 | Very low | 30.3 | Very low | 208 Ų | 208 | 137.2 Ų | 137.2 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | 58.2 | 135 | 153.9 | -76.9 | -176 | 174.4 | -179.6 | 0 | 125.8 | ||||
| 18 | A | 29.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 72.6 | 160.5 | 140 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 19 | A | 30.4 | Very low | 30.3 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | cis | -157.6 | 164.9 | 8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 20 | R | 27.4 | Very low | 30.2 | Very low | 245 Ų | 245 | 125.4 Ų | 125.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | 24.8 | 139.7 | 147.5 | -67.2 | 178 | 171.5 | 172.6 | -4.5 | 123.4 | ||||
| 21 | S | 31.6 | Very low | 30.1 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -168.4 | 168.5 | 109.6 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 22 | E | 26.5 | Very low | 30.3 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 170.1 | -175.7 | -58.2 | -172.4 | 137.7 | 0 | 0 | 114.9 | ||||
| 23 | G | 28.6 | Very low | 30.4 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -160 | 125.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 24 | A | 29 | Very low | 30.5 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -117.5 | 161.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 25 | G | 28.5 | Very low | 30.8 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | 117 | 132.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 26 | G | 27.8 | Very low | 31.3 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | cis | 133 | 102.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 27 | H | 29.8 | Very low | 31.8 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 94% | 0.94 | 84% | 0.844 | S | S | * | * | trans | -172.1 | 145.2 | 146.8 | -108.4 | 70.7 | 0 | 0 | 0 | 111.4 | ||||
| 28 | A | 31 | Very low | 31.9 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 69% | 0.694 | 84% | 0.839 | S | S | * | * | trans | -115 | -173.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | P | 39.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | cis | -131.6 | 160 | -3.6 | 39.1 | -22.6 | 0 | 0 | 0 | 115.4 | ||||
| 30 | G | 28.7 | Very low | 32.3 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 148.5 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 31 | K | 32.5 | Very low | 32.8 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 128.1 | 174.1 | -73.7 | -178.2 | 175.5 | 178.9 | 0 | 111.1 | ||
| 32 | E | 31.7 | Very low | 33 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.2 | 168 | -58.5 | -179 | 141.3 | 0 | 0 | 111 | ||
| 33 | H | 31.9 | Very low | 33.9 | Very low | 166 Ų | 166 | 134 Ų | 134 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -134.1 | 121.3 | 160.3 | -82.1 | -97.1 | 0 | 0 | 0 | 110.3 | ||||
| 34 | K | 35.6 | Very low | 34.3 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -53.9 | 140.5 | 175.9 | -92.6 | 172.4 | 168.7 | 173.8 | 0 | 112.1 | ||||
| 35 | I | 38.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -116.3 | 127.9 | 158.6 | -61.5 | 179.5 | 0 | 0 | 0 | 107.9 | ||||
| 36 | M | 38.1 | Very low | 35 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -89.1 | 151.9 | 173.5 | -74.9 | -176.1 | -66.6 | 0 | 0 | 110.8 | ||||
| 37 | V | 40.3 | Very low | 35.3 | Very low | 151 Ų | 151 | 145 Ų | 145 | 92% | 0.915 | 82% | 0.824 | S | S | * | * | trans | -75 | 138.3 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 38 | G | 32.3 | Very low | 35.7 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -151.5 | 118.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 39 | S | 34 | Very low | 36 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | trans | -101.7 | 145.2 | -177.3 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | T | 35.2 | Very low | 35.8 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | 163.5 | 143.3 | 119.1 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 41 | D | 36.9 | Very low | 36.1 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -73.4 | 148.9 | 176.7 | -46.7 | -92.6 | 0 | 0 | 0 | 113.7 | ||||
| 42 | D | 37.4 | Very low | 36.1 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -154.2 | 123.7 | 150.1 | -159.5 | -9.3 | 0 | 0 | 0 | 111.2 | ||||
| 43 | P | 44.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -113.2 | 89.2 | -174.9 | 38.2 | -28.3 | 0 | 0 | 0 | 114.3 | ||||
| 44 | S | 37.6 | Very low | 36.6 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | 177.7 | 105.9 | 145.4 | 45.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 45 | V | 36.2 | Very low | 36.9 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -144 | 86.6 | 151.9 | -172.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | F | 35.4 | Very low | 37.3 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -96.1 | 101.6 | 159.3 | -100.1 | -82.8 | 0 | 0 | 0 | 108.5 | ||||
| 47 | S | 34.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -166.6 | 126.7 | 157.2 | -81.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 48 | L | 37.9 | Very low | 37.9 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 167.9 | 176.9 | -85.9 | 119.2 | 0 | 0 | 0 | 111.9 | ||||
| 49 | P | 38.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -147.2 | 166.5 | 35.8 | 41 | -19.5 | 0 | 0 | 0 | 121.1 | ||||
| 50 | D | 33.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | trans | 18.2 | 122.5 | 148.2 | -148.9 | 4.1 | 0 | 0 | 0 | 121.1 | ||||
| 51 | S | 35.1 | Very low | 39.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -151 | 123.8 | 151.1 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 52 | K | 33.6 | Very low | 39.9 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -84.8 | 139.6 | -177.8 | -69.2 | 169.6 | 179.9 | 163.7 | 0 | 111.8 | ||||
| 53 | L | 34.7 | Very low | 40.3 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | trans | -106.2 | 133.4 | 157.7 | -70.2 | 171.6 | 0 | 0 | 0 | 109.3 | ||||
| 54 | P | 38.2 | Very low | 40.4 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -91.2 | 135.7 | 175 | 34.4 | -30.6 | 0 | 0 | 0 | 111.2 | ||||
| 55 | G | 43.3 | Very low | 40.6 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -164.7 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 56 | D | 45.9 | Very low | 41.2 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -102.9 | 9.7 | -161.3 | -56.6 | -23.7 | 0 | 0 | 0 | 115.5 | ||
| 57 | K | 46 | Very low | 41.9 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 81% | 0.809 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -92.6 | -25.1 | -172.4 | -70.2 | -161.8 | 173 | -162.9 | 0 | 115.8 | ||
| 58 | E | 44.7 | Very low | 42.5 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78 | -24.7 | -174.4 | -67.7 | -169.8 | 143.7 | 0 | 0 | 113.5 | V60 | E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.14Å |
| 59 | F | 41.1 | Very low | 42.8 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 79% | 0.789 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.9 | -20.8 | -178.2 | -161.7 | -100.5 | 0 | 0 | 0 | 113.7 | ||
| 60 | V | 47.4 | Very low | 43.3 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 49% | 0.485 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -96.7 | -27 | -178 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | E58 W62 Q63 Q64 | E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.14Å; V60-W62 PolarHBondContact O-N 2.92Å; V60-Q63 PolarHBondContact O-N 2.87Å; V60-Q64 PolarHBondContact O-N 2.86Å |
| 61 | S | 44.6 | Very low | 43.7 | Very low | 57 Ų | 57 | 134 Ų | 134 | 40% | 0.399 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -56.3 | -48.6 | -178.5 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | Q63 Q64 D65 | S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q64 WeakPolarHBondContact O-CB 3.32Å; S61-Q64 PolarHBondContact O-N 3.02Å; S61-Q64 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact O-N 3.07Å; S61-D65 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact OG-OD2 2.81Å |
| 62 | W | 48.3 | Very low | 44.2 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68 | -18.2 | -175.3 | -66.3 | 96 | 0 | 0 | 0 | 114.2 | V60 | V60-W62 PolarHBondContact O-N 2.92Å |
| 63 | Q | 46.3 | Very low | 45 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.4 | -39.8 | 171.4 | -72.6 | -175.3 | -47.4 | 0 | 0 | 111.2 | V60 S61 L66 | V60-Q63 PolarHBondContact O-N 2.87Å; S61-Q63 PolarHBondContact O-N 2.89Å; Q63-L66 PolarHBondContact O-N 2.86Å |
| 64 | Q | 44.9 | Very low | 46.4 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 48% | 0.477 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -63.6 | -45.3 | 178.5 | -148.2 | 74 | 65.3 | 0 | 0 | 111.8 | V60 S61 L66 E67 D68 | V60-Q64 PolarHBondContact O-N 2.86Å; S61-Q64 WeakPolarHBondContact O-CB 3.32Å; S61-Q64 PolarHBondContact O-N 3.02Å; S61-Q64 VanDerWaalsContact O-N 3.09Å; Q64-L66 PolarHBondContact O-N 2.89Å; Q64-E67 PolarHBondContact O-N 2.87Å; Q64-E67 VanDerWaalsContact O-N 3.15Å; Q64-D68 PolarHBondContact O-N 2.91Å |
| 65 | D | 42 | Very low | 48.3 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -68.2 | -15.2 | -177.7 | -63.1 | -38.3 | 0 | 0 | 0 | 113.7 | S61 | S61-D65 PolarHBondContact O-N 3.07Å; S61-D65 VanDerWaalsContact O-N 3.09Å; S61-D65 PolarHBondContact OG-OD2 2.81Å |
| 66 | L | 49.3 | Very low | 50.4 | Low | 143 Ų | 143 | 129.9 Ų | 129.9 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -87.1 | -22.5 | 175.7 | -100.9 | 161 | 0 | 0 | 0 | 113.2 | Q63 Q64 | Q63-L66 PolarHBondContact O-N 2.86Å; Q64-L66 PolarHBondContact O-N 2.89Å |
| 67 | E | 50.9 | Low | 52.4 | Low | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -91.4 | -35.2 | 178 | -66.1 | -174.8 | 140.5 | 0 | 0 | 112 | Q64 S69 | Q64-E67 PolarHBondContact O-N 2.87Å; Q64-E67 VanDerWaalsContact O-N 3.15Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.84Å |
| 68 | D | 47.1 | Very low | 54.7 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 4 | -176.9 | -87.9 | -35.7 | 0 | 0 | 0 | 115.5 | Q64 | Q64-D68 PolarHBondContact O-N 2.91Š|
| 69 | S | 43.5 | Very low | 57.1 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 72% | 0.72 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 9.7 | 175.9 | -147 | 0 | 0 | 0 | 0 | 114.2 | E67 K71 | E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.84Å; S69-K71 PolarHBondContact O-N 2.81Å |
| 70 | V | 48.8 | Very low | 59.7 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -88.9 | 102.4 | 166.8 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 71 | K | 42 | Very low | 62 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 77% | 0.77 | 55% | 0.55 | S | S | * | . | trans | -48.5 | 136.2 | 163.8 | -64.3 | 177.3 | -177.9 | 176.7 | 0 | 107.7 | S69 T73 | S69-K71 PolarHBondContact O-N 2.81Å; K71-T73 PolarHBondContact O-N 2.8Å | ||
| 72 | P | 44.8 | Very low | 64.4 | Low | 132 Ų | 132 | 108 Ų | 108 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | trans | -68.9 | 79.6 | 178.5 | 28.4 | -35 | 0 | 0 | 0 | 110.3 | Q74 | P72-Q74 PolarHBondContact O-N 3.49Š| ||
| 73 | T | 52.2 | Low | 66.6 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 66% | 0.663 | 52% | 0.522 | S | S | * | . | trans | -55.8 | 124.1 | 156.4 | 43.5 | 0 | 0 | 0 | 0 | 106.3 | K71 Q75 | K71-T73 PolarHBondContact O-N 2.8Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.93Å | ||
| 74 | Q | 63.5 | Low | 68.9 | Low | 148 Ų | 148 | 95.1 Ų | 95.1 | 69% | 0.692 | 51% | 0.508 | S | S | * | . | trans | -55.1 | 101.8 | 173.2 | -72.2 | 173.9 | -50.2 | 0 | 0 | 107.9 | P72 A76 P119 | P72-Q74 PolarHBondContact O-N 3.49Å; Q74-A76 PolarHBondContact O-N 2.91Å; Q74-A76 VanDerWaalsContact O-N 3.13Å; Q74-P119 HydrophobicContact CB-CB 3.94Å | ||
| 75 | Q | 78.3 | Confident | 71.1 | Confident | 144 Ų | 144 | 96.7 Ų | 96.7 | 67% | 0.673 | 52% | 0.515 | S | S | * | . | trans | -69.4 | 116.5 | -173.2 | -172.1 | 171.8 | 2.5 | 0 | 0 | 107.2 | T73 | T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.93Å | ||
| 76 | A | 86.3 | Confident | 73.2 | Confident | 47 Ų | 47 | 93.2 Ų | 93.2 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | trans | -67.7 | 136.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q74 D117 L118 | Q74-A76 PolarHBondContact O-N 2.91Å; Q74-A76 VanDerWaalsContact O-N 3.13Å; A76-D117 HydrophobicContact CB-CB 3.75Å; A76-L118 WeakPolarHBondContact CA-O 3.45Å | ||
| 77 | R | 88.5 | Confident | 75.1 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 15% | 0.147 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.8 | -171.9 | -69.7 | 173.5 | -175.7 | -120.3 | 0.7 | 109.1 | T79 D117 L118 E120 V155 K157 F160 | R77-T79 PolarHBondContact O-N 2.84Å; R77-T79 PolarHBondContact O-OG1 3.02Å; R77-D117 WeakPolarHBondContact O-CA 3.3Å; R77-L118 PolarHBondContact N-O 2.82Å; R77-L118 PolarHBondContact O-N 2.86Å; R77-E120 IonicContact CZ-OE1 3.79Å; R77-E120 VanDerWaalsContact CZ-OE1 3.27Å; R77-E120 IonicContact NE-OE1 2.74Å; R77-E120 PolarHBondContact NE-OE1 3.38Å; R77-E120 VanDerWaalsContact NE-OE1 3.14Å; R77-E120 IonicContact NH2-OE1 3.51Å; R77-E120 PolarHBondContact NH2-OE1 2.6Å; R77-V155 HydrophobicContact CB-CG1 4.33Å; R77-K157 PolarHBondContact NH1-O 2.81Å; R77-F160 HydrophobicContact CB-CD2 3.89Å; R77-F160 HydrophobicContact CB-CE2 3.71Å; R77-F160 HydrophobicContact CG-CD2 4.07Å; R77-F160 HydrophobicContact CG-CE2 4.19Å |
| 78 | P | 94.3 | Very high | 77 | Confident | 62 Ų | 62 | 89 Ų | 89 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 113.7 | 178.4 | 22 | -34 | 0 | 0 | 0 | 110.2 | I115 D117 F160 | P78-I115 HydrophobicContact CB-CG2 3.71Å; P78-D117 VanDerWaalsContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CB-OD1 3.29Å; P78-D117 WeakPolarHBondContact CD-OD1 3.37Å; P78-F160 HydrophobicContact CG-CE2 3.83Å; P78-F160 HydrophobicContact CG-CZ 3.58Å |
| 79 | T | 94.9 | Very high | 79.2 | Confident | 18 Ų | 18 | 88.8 Ų | 88.8 | 11% | 0.11 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.9 | -178.5 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | R77 I115 L116 L118 I153 V155 | R77-T79 PolarHBondContact O-N 2.84Å; R77-T79 PolarHBondContact O-OG1 3.02Å; T79-I115 WeakPolarHBondContact O-CA 3.07Å; T79-L116 PolarHBondContact N-O 2.93Å; T79-L116 PolarHBondContact O-N 2.89Å; T79-L118 HydrophobicContact CG2-CD1 4.06Å; T79-I153 HydrophobicContact CG2-CD1 3.51Å; T79-V155 HydrophobicContact CG2-CG2 4.17Å |
| 80 | V | 95.3 | Very high | 81.7 | Confident | 93 Ų | 93 | 84 Ų | 84 | 56% | 0.564 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.1 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | V113 I115 | V80-V113 HydrophobicContact CG1-CG1 3.84Å; V80-I115 HydrophobicContact CG2-CG1 4.35Å |
| 81 | I | 95.5 | Very high | 84 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.6 | 171.8 | -52.7 | 177.2 | 0 | 0 | 0 | 108.2 | I92 V113 A114 L116 Y125 F127 | I81-I92 HydrophobicContact CB-CD1 4.24Å; I81-I92 HydrophobicContact CD1-CD1 3.62Å; I81-I92 HydrophobicContact CG2-CD1 3.64Å; I81-V113 WeakPolarHBondContact O-CA 3.28Å; I81-A114 PolarHBondContact N-O 3.18Å; I81-A114 PolarHBondContact O-N 2.97Å; I81-L116 HydrophobicContact CD1-CD1 3.99Å; I81-Y125 HydrophobicContact CG2-CD2 4.29Å; I81-Y125 HydrophobicContact CG2-CE2 3.82Å; I81-F127 HydrophobicContact CG2-CE1 4.07Å; I81-F127 HydrophobicContact CG2-CZ 3.74Å |
| 82 | R | 95.6 | Very high | 86.6 | Confident | 140 Ų | 140 | 73 Ų | 73 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152 | -172.3 | -174.4 | 167 | 70 | 137.4 | -3.8 | 110.7 | D111 F112 V113 F127 | R82-D111 WeakPolarHBondContact CD-OD2 3.34Å; R82-D111 HydrophobicContact CG-CB 4.12Å; R82-D111 IonicContact CZ-OD2 3.27Å; R82-D111 IonicContact NE-OD2 2.71Å; R82-D111 IonicContact NH1-OD2 3.14Å; R82-D111 PolarHBondContact NH1-OD2 3.35Å; R82-F112 CarbonylContact C-O 3.56Å; R82-F112 WeakPolarHBondContact CA-O 3.35Å; R82-V113 HydrophobicContact CG-CG2 4.11Å; R82-F127 WeakPolarHBondContact O-CZ 3.33Å |
| 83 | W | 95.7 | Very high | 89.1 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 5% | 0.049 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 122.3 | 174.9 | 171.2 | -96.5 | 0 | 0 | 0 | 109.1 | E85 G86 V90 L105 F112 F127 V129 V134 D136 | W83-E85 HydrophobicContact CH2-CB 4Å; W83-E85 HydrophobicContact CH2-CG 4.13Å; W83-E85 HydrophobicContact CZ2-CB 3.52Å; W83-E85 HydrophobicContact CZ2-CG 4.17Å; W83-E85 HydrophobicContact CZ3-CG 4.49Å; W83-G86 PolarHBondContact NE1-O 2.87Å; W83-V90 HydrophobicContact CB-CG1 4.38Å; W83-V90 HydrophobicContact CG-CG1 4.13Å; W83-L105 HydrophobicContact CB-CD2 4.18Å; W83-F112 HydrophobicContact CB-CB 4.22Å; W83-F112 PolarHBondContact N-O 2.75Å; W83-F112 PolarHBondContact O-N 2.85Å; W83-F127 HydrophobicContact CB-CD1 4.26Å; W83-F127 HydrophobicContact CB-CE1 3.92Å; W83-F127 HydrophobicContact CB-CZ 4.1Å; W83-F127 HydrophobicContact CD2-CD2 4.28Å; W83-F127 HydrophobicContact CD2-CG 4.25Å; W83-F127 HydrophobicContact CE3-CB 4.3Å; W83-F127 HydrophobicContact CE3-CD1 4.37Å; W83-F127 AromaticContact CE3-CD2 3.37Å; W83-F127 HydrophobicContact CE3-CD2 3.37Å; W83-F127 AromaticContact CE3-CE2 3.64Å; W83-F127 HydrophobicContact CE3-CE2 3.64Å; W83-F127 AromaticContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CZ 4.24Å; W83-F127 HydrophobicContact CZ3-CB 4.43Å; W83-F127 AromaticContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CE2 4.26Å; W83-F127 HydrophobicContact CZ3-CG 4.24Å; W83-V129 HydrophobicContact CD2-CG2 4.45Å; W83-V129 HydrophobicContact CH2-CG2 4.45Å; W83-V129 HydrophobicContact CZ2-CG2 3.71Å; W83-V134 HydrophobicContact CH2-CB 4.14Å; W83-V134 HydrophobicContact CH2-CG2 3.42Å; W83-V134 VanDerWaalsContact CH2-CG2 3.42Å; W83-V134 HydrophobicContact CZ2-CG2 3.79Å; W83-V134 HydrophobicContact CZ3-CG2 4.12Å; W83-D136 HydrophobicContact CE3-CB 4.22Å; W83-D136 HydrophobicContact CZ3-CB 4.11Å |
| 84 | S | 93.8 | Very high | 91.1 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | trans | -110.4 | -9 | -173.4 | 50.7 | 0 | 0 | 0 | 0 | 115.4 | G86 | S84-G86 PolarHBondContact O-N 2.8Š| ||
| 85 | E | 90.1 | Very high | 92.6 | Very high | 135 Ų | 135 | 56.6 Ų | 56.6 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -77 | 12.3 | -176.6 | -61.5 | -67.9 | 112 | 0 | 0 | 114 | W83 | W83-E85 HydrophobicContact CH2-CB 4Å; W83-E85 HydrophobicContact CH2-CG 4.13Å; W83-E85 HydrophobicContact CZ2-CB 3.52Å; W83-E85 HydrophobicContact CZ2-CG 4.17Å; W83-E85 HydrophobicContact CZ3-CG 4.49Å |
| 86 | G | 87.5 | Confident | 93.2 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | trans | 74.2 | -165.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | W83 S84 | W83-G86 PolarHBondContact NE1-O 2.87Å; S84-G86 PolarHBondContact O-N 2.8Å | ||
| 87 | G | 89.8 | Confident | 93.5 | Very high | 26 Ų | 26 | 51 Ų | 51 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | trans | 132.4 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K107 F112 | G87-K107 PolarHBondContact O-NZ 3.49Å; G87-F112 WeakPolarHBondContact O-CZ 3.39Å | ||
| 88 | K | 90.4 | Very high | 93.6 | Very high | 171 Ų | 171 | 55.7 Ų | 55.7 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -95.6 | -53.8 | 170.8 | -58.8 | 176.5 | -175.3 | 172.5 | 0 | 110.7 | D130 | K88-D130 WeakPolarHBondContact CA-OD1 3.48Å; K88-D130 WeakPolarHBondContact CB-OD1 3.49Å; K88-D130 PolarHBondContact N-OD1 3.09Å; K88-D130 PolarHBondContact N-OD2 3.01Å; K88-D130 VanDerWaalsContact N-OD2 3.14Å |
| 89 | E | 93 | Very high | 93.5 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -124.7 | 118.6 | 179.7 | -61.2 | -173.3 | 120.1 | 0 | 0 | 109.5 | F91 V129 D130 | E89-F91 HydrophobicContact CB-CE2 3.85Å; E89-F91 HydrophobicContact CB-CZ 4.48Å; E89-V129 WeakPolarHBondContact O-CA 3.43Å; E89-D130 PolarHBondContact N-OD1 2.77Å; E89-D130 PolarHBondContact O-N 2.94Å |
| 90 | V | 96.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.9 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | W83 L105 F112 F127 V129 | W83-V90 HydrophobicContact CB-CG1 4.38Å; W83-V90 HydrophobicContact CG-CG1 4.13Å; V90-L105 HydrophobicContact CB-CB 4.41Å; V90-L105 HydrophobicContact CG1-CB 4.26Å; V90-L105 HydrophobicContact CG1-CD1 4.32Å; V90-L105 HydrophobicContact CG1-CD2 3.93Å; V90-L105 HydrophobicContact CG1-CG 4.38Å; V90-L105 PolarHBondContact O-N 3.06Å; V90-F112 HydrophobicContact CB-CB 4.24Å; V90-F112 HydrophobicContact CB-CD1 3.64Å; V90-F112 HydrophobicContact CB-CD2 4.42Å; V90-F112 HydrophobicContact CB-CE1 3.93Å; V90-F112 HydrophobicContact CB-CG 3.88Å; V90-F112 HydrophobicContact CB-CZ 4.43Å; V90-F112 HydrophobicContact CG1-CB 4.24Å; V90-F112 HydrophobicContact CG1-CG 4.39Å; V90-F112 HydrophobicContact CG2-CB 4.39Å; V90-F112 HydrophobicContact CG2-CD1 3.68Å; V90-F112 HydrophobicContact CG2-CD2 3.73Å; V90-F112 HydrophobicContact CG2-CE1 3.64Å; V90-F112 HydrophobicContact CG2-CE2 3.7Å; V90-F112 HydrophobicContact CG2-CG 3.69Å; V90-F112 HydrophobicContact CG2-CZ 3.63Å; V90-F127 HydrophobicContact CG1-CD1 4.26Å; V90-V129 HydrophobicContact CG1-CG2 4.08Å; V90-V129 HydrophobicContact CG2-CG1 4.19Å; V90-V129 HydrophobicContact CG2-CG2 4.13Å |
| 91 | F | 96.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 162.1 | 174.4 | -52.4 | -102 | 0 | 0 | 0 | 110.6 | E89 K102 I103 P104 F127 F128 | E89-F91 HydrophobicContact CB-CE2 3.85Å; E89-F91 HydrophobicContact CB-CZ 4.48Å; F91-K102 HydrophobicContact CB-CB 3.85Å; F91-K102 HydrophobicContact CB-CG 4.49Å; F91-K102 HydrophobicContact CD1-CB 3.95Å; F91-K102 HydrophobicContact CG-CB 4.08Å; F91-I103 CarbonylContact C-O 3.55Å; F91-I103 WeakPolarHBondContact CA-O 3.46Å; F91-I103 WeakPolarHBondContact CB-O 3.47Å; F91-P104 HydrophobicContact CD1-CB 3.86Å; F91-P104 HydrophobicContact CE1-CB 3.89Å; F91-F127 CarbonylContact O-C 3.41Å; F91-F127 WeakPolarHBondContact O-CA 3.41Å; F91-F128 HydrophobicContact CB-CB 4.34Å; F91-F128 HydrophobicContact CD2-CD1 4.06Å; F91-F128 PolarHBondContact N-O 2.98Å; F91-F128 PolarHBondContact O-N 3.18Å |
| 92 | I | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.3 | 172.9 | -171.6 | 170.1 | 0 | 0 | 0 | 111.3 | I81 F96 I103 L105 L116 Y125 F127 | I81-I92 HydrophobicContact CB-CD1 4.24Å; I81-I92 HydrophobicContact CD1-CD1 3.62Å; I81-I92 HydrophobicContact CG2-CD1 3.64Å; I92-F96 HydrophobicContact CD1-CZ 4.4Å; I92-F96 HydrophobicContact CG1-CZ 4.3Å; I92-I103 HydrophobicContact CG2-CB 3.92Å; I92-I103 PolarHBondContact N-O 2.83Å; I92-I103 PolarHBondContact O-N 3.12Å; I92-L105 HydrophobicContact CB-CD1 3.72Å; I92-L105 HydrophobicContact CG2-CD1 3.53Å; I92-L116 HydrophobicContact CG2-CD1 4.42Å; I92-Y125 HydrophobicContact CD1-CD2 3.56Å; I92-Y125 HydrophobicContact CD1-CE2 4.32Å; I92-Y125 HydrophobicContact CD1-CG 4.07Å; I92-Y125 HydrophobicContact CG1-CD2 4.2Å; I92-F127 HydrophobicContact CB-CD1 4.33Å; I92-F127 HydrophobicContact CB-CE1 4.48Å; I92-F127 HydrophobicContact CD1-CE1 4.11Å; I92-F127 HydrophobicContact CG1-CE1 4.5Å |
| 93 | S | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.7 | 167.4 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | W99 T101 Y125 K126 | S93-W99 WeakPolarHBondContact O-CZ3 3.33Å; S93-T101 WeakPolarHBondContact CB-O 3.39Å; S93-T101 PolarHBondContact OG-O 2.91Å; S93-Y125 CarbonylContact O-C 3.48Å; S93-Y125 WeakPolarHBondContact O-CA 3.32Å; S93-K126 PolarHBondContact N-O 2.8Å; S93-K126 VanDerWaalsContact N-O 3.12Å; S93-K126 PolarHBondContact O-N 3.28Å |
| 94 | G | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | -171.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F96 N97 N98 W99 Q124 | G94-F96 VanDerWaalsContact C-N 3.26Å; G94-F96 PolarHBondContact O-N 2.77Å; G94-N97 PolarHBondContact N-OD1 2.99Å; G94-N97 PolarHBondContact O-N 2.88Å; G94-N97 PolarHBondContact O-OD1 2.9Å; G94-N98 PolarHBondContact O-N 2.91Å; G94-W99 PolarHBondContact O-N 2.86Å; G94-Q124 CarbonylContact C-O 3.54Å; G94-Q124 WeakPolarHBondContact CA-O 3.42Å |
| 95 | S | 93.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 62 Ų | 62 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.9 | -40.3 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | N97 N98 H123 Q124 | S95-N97 PolarHBondContact O-N 2.85Å; S95-N97 VanDerWaalsContact O-N 3.15Å; S95-N98 PolarHBondContact O-N 2.68Å; S95-H123 WeakPolarHBondContact OG-CA 3.34Å; S95-Q124 PolarHBondContact N-O 3.15Å; S95-Q124 PolarHBondContact OG-N 3.04Å; S95-Q124 VanDerWaalsContact OG-N 3.09Å; S95-Q124 PolarHBondContact OG-O 3.31Å |
| 96 | F | 92.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 23% | 0.232 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60.7 | -22.2 | -178.9 | 55.4 | -102.4 | 0 | 0 | 0 | 114.7 | I92 G94 I103 L116 L118 | I92-F96 HydrophobicContact CD1-CZ 4.4Å; I92-F96 HydrophobicContact CG1-CZ 4.3Å; G94-F96 VanDerWaalsContact C-N 3.26Å; G94-F96 PolarHBondContact O-N 2.77Å; F96-I103 HydrophobicContact CE2-CD1 3.87Å; F96-L116 HydrophobicContact CD2-CD1 4.31Å; F96-L116 HydrophobicContact CE1-CD1 4.12Å; F96-L116 HydrophobicContact CE2-CD1 3.61Å; F96-L116 HydrophobicContact CZ-CD1 3.49Å; F96-L116 VanDerWaalsContact CZ-CD1 3.49Å; F96-L118 HydrophobicContact CB-CD2 3.56Å; F96-L118 HydrophobicContact CD1-CD1 4.47Å; F96-L118 HydrophobicContact CD1-CD2 3.64Å; F96-L118 HydrophobicContact CD2-CD2 4.29Å; F96-L118 HydrophobicContact CE1-CD2 4.43Å; F96-L118 HydrophobicContact CG-CD2 3.56Å |
| 97 | N | 91.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.102 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -119.6 | 22.9 | 173.6 | 75.7 | -16.2 | 0 | 0 | 0 | 113.2 | G94 S95 W99 S100 T101 | G94-N97 PolarHBondContact N-OD1 2.99Å; G94-N97 PolarHBondContact O-N 2.88Å; G94-N97 PolarHBondContact O-OD1 2.9Å; S95-N97 PolarHBondContact O-N 2.85Å; S95-N97 VanDerWaalsContact O-N 3.15Å; N97-W99 PolarHBondContact O-N 2.99Å; N97-W99 VanDerWaalsContact O-N 3.1Å; N97-W99 PolarHBondContact OD1-N 3.46Å; N97-S100 WeakPolarHBondContact O-CB 3.21Å; N97-S100 PolarHBondContact O-N 3.01Å; N97-S100 PolarHBondContact O-OG 3.1Å; N97-T101 PolarHBondContact ND2-O 2.68Å; N97-T101 PolarHBondContact ND2-OG1 3.46Å |
| 98 | N | 91.8 | Very high | 93.7 | Very high | 139 Ų | 139 | 68.5 Ų | 68.5 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 30.2 | -178.1 | -61.8 | -54.5 | 0 | 0 | 0 | 113.6 | G94 S95 S100 | G94-N98 PolarHBondContact O-N 2.91Å; S95-N98 PolarHBondContact O-N 2.68Å; N98-S100 PolarHBondContact O-N 2.93Å |
| 99 | W | 92.2 | Very high | 93.5 | Very high | 103 Ų | 103 | 69.7 Ų | 69.7 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 15.8 | -174.5 | -55.2 | 89.3 | 0 | 0 | 0 | 115 | S93 G94 N97 Q124 K126 N150 | S93-W99 WeakPolarHBondContact O-CZ3 3.33Å; G94-W99 PolarHBondContact O-N 2.86Å; N97-W99 PolarHBondContact O-N 2.99Å; N97-W99 VanDerWaalsContact O-N 3.1Å; N97-W99 PolarHBondContact OD1-N 3.46Å; W99-Q124 HydrophobicContact CZ2-CB 3.95Å; W99-K126 HydrophobicContact CH2-CB 4.08Å; W99-K126 HydrophobicContact CZ3-CB 3.7Å; W99-N150 HydrophobicContact CH2-CB 4.24Å; W99-N150 WeakPolarHBondContact CZ2-ND2 3.5Å |
| 100 | S | 90.1 | Very high | 93.3 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | trans | -84.4 | -31.3 | -167.8 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | N97 N98 | N97-S100 WeakPolarHBondContact O-CB 3.21Å; N97-S100 PolarHBondContact O-N 3.01Å; N97-S100 PolarHBondContact O-OG 3.1Å; N98-S100 PolarHBondContact O-N 2.93Å | ||
| 101 | T | 92.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | trans | -126.8 | 156.4 | -177 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | S93 N97 | S93-T101 WeakPolarHBondContact CB-O 3.39Å; S93-T101 PolarHBondContact OG-O 2.91Å; N97-T101 PolarHBondContact ND2-O 2.68Å; N97-T101 PolarHBondContact ND2-OG1 3.46Å | ||
| 102 | K | 94.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 68.4 Ų | 68.4 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | trans | -104.1 | 110.4 | 173.6 | -70.8 | -176.3 | -177.4 | -178.9 | 0 | 108.1 | F91 F128 | F91-K102 HydrophobicContact CB-CB 3.85Å; F91-K102 HydrophobicContact CB-CG 4.49Å; F91-K102 HydrophobicContact CD1-CB 3.95Å; F91-K102 HydrophobicContact CG-CB 4.08Å; K102-F128 HydrophobicContact CD-CB 4.4Å; K102-F128 HydrophobicContact CD-CD1 3.92Å; K102-F128 HydrophobicContact CD-CE1 4.41Å; K102-F128 HydrophobicContact CD-CG 4.12Å; K102-F128 VanDerWaalsContact NZ-CD1 3.25Å | ||
| 103 | I | 95.6 | Very high | 93 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.6 | 177.7 | -53.7 | -179.8 | 0 | 0 | 0 | 107.5 | F91 I92 F96 L116 | F91-I103 CarbonylContact C-O 3.55Å; F91-I103 WeakPolarHBondContact CA-O 3.46Å; F91-I103 WeakPolarHBondContact CB-O 3.47Å; I92-I103 HydrophobicContact CG2-CB 3.92Å; I92-I103 PolarHBondContact N-O 2.83Å; I92-I103 PolarHBondContact O-N 3.12Å; F96-I103 HydrophobicContact CE2-CD1 3.87Å; I103-L116 HydrophobicContact CD1-CD1 4.23Å; I103-L116 HydrophobicContact CD1-CD2 3.88Å; I103-L116 HydrophobicContact CG2-CD2 4.32Å |
| 104 | P | 95.9 | Very high | 93 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 137.1 | 178.2 | 28.6 | -33.7 | 0 | 0 | 0 | 110.8 | F91 | F91-P104 HydrophobicContact CD1-CB 3.86Å; F91-P104 HydrophobicContact CE1-CB 3.89Å |
| 105 | L | 96.3 | Very high | 93 | Very high | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -85 | 145.2 | 171 | -84.6 | 69 | 0 | 0 | 0 | 110.4 | W83 V90 I92 F112 A114 F127 | W83-L105 HydrophobicContact CB-CD2 4.18Å; V90-L105 HydrophobicContact CB-CB 4.41Å; V90-L105 HydrophobicContact CG1-CB 4.26Å; V90-L105 HydrophobicContact CG1-CD1 4.32Å; V90-L105 HydrophobicContact CG1-CD2 3.93Å; V90-L105 HydrophobicContact CG1-CG 4.38Å; V90-L105 PolarHBondContact O-N 3.06Å; I92-L105 HydrophobicContact CB-CD1 3.72Å; I92-L105 HydrophobicContact CG2-CD1 3.53Å; L105-F112 HydrophobicContact CB-CB 3.87Å; L105-F112 HydrophobicContact CB-CD1 4.28Å; L105-F112 HydrophobicContact CD2-CB 3.85Å; L105-A114 HydrophobicContact CD1-CB 4.27Å; L105-A114 HydrophobicContact CG-CB 3.96Å; L105-F127 HydrophobicContact CD2-CD1 4.35Å; L105-F127 HydrophobicContact CD2-CE1 3.88Å |
| 106 | I | 95.4 | Very high | 93 | Very high | 127 Ų | 127 | 75.4 Ų | 75.4 | 65% | 0.651 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.5 | 175.3 | -52.3 | -54.2 | 0 | 0 | 0 | 108.7 | S108 F112 V113 | I106-S108 PolarHBondContact O-N 3.5Å; I106-F112 WeakPolarHBondContact O-CA 3.29Å; I106-V113 PolarHBondContact N-O 2.84Å; I106-V113 PolarHBondContact O-N 2.86Å |
| 107 | K | 93.9 | Very high | 93.1 | Very high | 127 Ų | 127 | 78 Ų | 78 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.1 | 178.6 | -172 | 166.5 | -169.4 | 159.7 | 0 | 111 | G87 F112 | G87-K107 PolarHBondContact O-NZ 3.49Å; K107-F112 HydrophobicContact CB-CD1 3.83Å; K107-F112 HydrophobicContact CB-CE1 3.61Å; K107-F112 HydrophobicContact CB-CZ 4.21Å; K107-F112 HydrophobicContact CD-CE1 3.7Å; K107-F112 HydrophobicContact CD-CE2 4.17Å; K107-F112 HydrophobicContact CD-CZ 3.45Å; K107-F112 VanDerWaalsContact CD-CZ 3.45Å; K107-F112 HydrophobicContact CG-CD1 4.15Å; K107-F112 HydrophobicContact CG-CE1 3.72Å; K107-F112 HydrophobicContact CG-CE2 4.24Å; K107-F112 HydrophobicContact CG-CZ 3.78Å |
| 108 | S | 89.1 | Confident | 93.3 | Very high | 70 Ų | 70 | 77.2 Ų | 77.2 | 49% | 0.49 | 41% | 0.408 | S | S | . | . | trans | -92.9 | -164.4 | 165.3 | -169 | 0 | 0 | 0 | 0 | 110 | I106 D111 | I106-S108 PolarHBondContact O-N 3.5Å; S108-D111 WeakPolarHBondContact CA-O 3.18Å; S108-D111 WeakPolarHBondContact CB-O 3.42Å; S108-D111 PolarHBondContact N-O 2.86Å | ||
| 109 | H | 85.2 | Confident | 93.3 | Very high | 196 Ų | 196 | 72.4 Ų | 72.4 | 91% | 0.907 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -62.3 | -48.5 | -179.4 | -68.9 | -65.4 | 0 | 0 | 0 | 113.3 | ||
| 110 | N | 88.4 | Confident | 93.4 | Very high | 118 Ų | 118 | 70 Ų | 70 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -122.1 | -26.6 | -178.5 | -160.8 | 80.7 | 0 | 0 | 0 | 112.8 | ||
| 111 | D | 93.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -109.3 | 151.4 | -172.7 | -58.6 | -4.2 | 0 | 0 | 0 | 110.8 | R82 S108 V113 | R82-D111 WeakPolarHBondContact CD-OD2 3.34Å; R82-D111 HydrophobicContact CG-CB 4.12Å; R82-D111 IonicContact CZ-OD2 3.27Å; R82-D111 IonicContact NE-OD2 2.71Å; R82-D111 IonicContact NH1-OD2 3.14Å; R82-D111 PolarHBondContact NH1-OD2 3.35Å; S108-D111 WeakPolarHBondContact CA-O 3.18Å; S108-D111 WeakPolarHBondContact CB-O 3.42Å; S108-D111 PolarHBondContact N-O 2.86Å; D111-V113 HydrophobicContact CB-CG2 4.48Å | ||
| 112 | F | 96 | Very high | 93.6 | Very high | 5 Ų | 5 | 69.6 Ų | 69.6 | 2% | 0.022 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.2 | 165.6 | -73.8 | -99.8 | 0 | 0 | 0 | 108.6 | R82 W83 G87 V90 L105 I106 K107 | R82-F112 CarbonylContact C-O 3.56Å; R82-F112 WeakPolarHBondContact CA-O 3.35Å; W83-F112 HydrophobicContact CB-CB 4.22Å; W83-F112 PolarHBondContact N-O 2.75Å; W83-F112 PolarHBondContact O-N 2.85Å; G87-F112 WeakPolarHBondContact O-CZ 3.39Å; V90-F112 HydrophobicContact CB-CB 4.24Å; V90-F112 HydrophobicContact CB-CD1 3.64Å; V90-F112 HydrophobicContact CB-CD2 4.42Å; V90-F112 HydrophobicContact CB-CE1 3.93Å; V90-F112 HydrophobicContact CB-CG 3.88Å; V90-F112 HydrophobicContact CB-CZ 4.43Å; V90-F112 HydrophobicContact CG1-CB 4.24Å; V90-F112 HydrophobicContact CG1-CG 4.39Å; V90-F112 HydrophobicContact CG2-CB 4.39Å; V90-F112 HydrophobicContact CG2-CD1 3.68Å; V90-F112 HydrophobicContact CG2-CD2 3.73Å; V90-F112 HydrophobicContact CG2-CE1 3.64Å; V90-F112 HydrophobicContact CG2-CE2 3.7Å; V90-F112 HydrophobicContact CG2-CG 3.69Å; V90-F112 HydrophobicContact CG2-CZ 3.63Å; L105-F112 HydrophobicContact CB-CB 3.87Å; L105-F112 HydrophobicContact CB-CD1 4.28Å; L105-F112 HydrophobicContact CD2-CB 3.85Å; I106-F112 WeakPolarHBondContact O-CA 3.29Å; K107-F112 HydrophobicContact CB-CD1 3.83Å; K107-F112 HydrophobicContact CB-CE1 3.61Å; K107-F112 HydrophobicContact CB-CZ 4.21Å; K107-F112 HydrophobicContact CD-CE1 3.7Å; K107-F112 HydrophobicContact CD-CE2 4.17Å; K107-F112 HydrophobicContact CD-CZ 3.45Å; K107-F112 VanDerWaalsContact CD-CZ 3.45Å; K107-F112 HydrophobicContact CG-CD1 4.15Å; K107-F112 HydrophobicContact CG-CE1 3.72Å; K107-F112 HydrophobicContact CG-CE2 4.24Å; K107-F112 HydrophobicContact CG-CZ 3.78Å |
| 113 | V | 96.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.9 | -174.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | V80 I81 R82 I106 D111 | V80-V113 HydrophobicContact CG1-CG1 3.84Å; I81-V113 WeakPolarHBondContact O-CA 3.28Å; R82-V113 HydrophobicContact CG-CG2 4.11Å; I106-V113 PolarHBondContact N-O 2.84Å; I106-V113 PolarHBondContact O-N 2.86Å; D111-V113 HydrophobicContact CB-CG2 4.48Å |
| 114 | A | 95.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.6 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | I81 L105 L116 | I81-A114 PolarHBondContact N-O 3.18Å; I81-A114 PolarHBondContact O-N 2.97Å; L105-A114 HydrophobicContact CD1-CB 4.27Å; L105-A114 HydrophobicContact CG-CB 3.96Å; A114-L116 HydrophobicContact CB-CD2 4.46Å; A114-L116 HydrophobicContact CB-CG 4.4Å |
| 115 | I | 95.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 63.1 Ų | 63.1 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.3 | 169.1 | -55.2 | 179 | 0 | 0 | 0 | 105.9 | P78 T79 V80 | P78-I115 HydrophobicContact CB-CG2 3.71Å; T79-I115 WeakPolarHBondContact O-CA 3.07Å; V80-I115 HydrophobicContact CG2-CG1 4.35Å |
| 116 | L | 94.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.3 | -176.6 | -59.1 | -178.3 | 0 | 0 | 0 | 109.6 | T79 I81 I92 F96 I103 A114 L118 | T79-L116 PolarHBondContact N-O 2.93Å; T79-L116 PolarHBondContact O-N 2.89Å; I81-L116 HydrophobicContact CD1-CD1 3.99Å; I92-L116 HydrophobicContact CG2-CD1 4.42Å; F96-L116 HydrophobicContact CD2-CD1 4.31Å; F96-L116 HydrophobicContact CE1-CD1 4.12Å; F96-L116 HydrophobicContact CE2-CD1 3.61Å; F96-L116 HydrophobicContact CZ-CD1 3.49Å; F96-L116 VanDerWaalsContact CZ-CD1 3.49Å; I103-L116 HydrophobicContact CD1-CD1 4.23Å; I103-L116 HydrophobicContact CD1-CD2 3.88Å; I103-L116 HydrophobicContact CG2-CD2 4.32Å; A114-L116 HydrophobicContact CB-CD2 4.46Å; A114-L116 HydrophobicContact CB-CG 4.4Å; L116-L118 HydrophobicContact CB-CD2 4.02Å; L116-L118 HydrophobicContact CB-CG 4.24Å; L116-L118 PolarHBondContact O-N 3.43Å |
| 117 | D | 94.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 105.5 | 172.9 | -63 | -42.2 | 0 | 0 | 0 | 109.3 | A76 R77 P78 | A76-D117 HydrophobicContact CB-CB 3.75Å; R77-D117 WeakPolarHBondContact O-CA 3.3Å; P78-D117 VanDerWaalsContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CA-OD1 3.24Å; P78-D117 WeakPolarHBondContact CB-OD1 3.29Å; P78-D117 WeakPolarHBondContact CD-OD1 3.37Å |
| 118 | L | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.6 | -178.3 | -58.8 | -173.6 | 0 | 0 | 0 | 110.4 | A76 R77 T79 F96 L116 H123 I153 V155 | A76-L118 WeakPolarHBondContact CA-O 3.45Å; R77-L118 PolarHBondContact N-O 2.82Å; R77-L118 PolarHBondContact O-N 2.86Å; T79-L118 HydrophobicContact CG2-CD1 4.06Å; F96-L118 HydrophobicContact CB-CD2 3.56Å; F96-L118 HydrophobicContact CD1-CD1 4.47Å; F96-L118 HydrophobicContact CD1-CD2 3.64Å; F96-L118 HydrophobicContact CD2-CD2 4.29Å; F96-L118 HydrophobicContact CE1-CD2 4.43Å; F96-L118 HydrophobicContact CG-CD2 3.56Å; L116-L118 HydrophobicContact CB-CD2 4.02Å; L116-L118 HydrophobicContact CB-CG 4.24Å; L116-L118 PolarHBondContact O-N 3.43Å; L118-H123 HydrophobicContact CD1-CB 4.4Å; L118-I153 HydrophobicContact CD1-CG2 4.42Å; L118-V155 HydrophobicContact CB-CG2 4.12Å; L118-V155 HydrophobicContact CD1-CG2 4.26Å |
| 119 | P | 93 | Very high | 94.2 | Very high | 38 Ų | 38 | 51 Ų | 51 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | trans | -67.1 | 157.2 | 172.3 | 30.3 | -34.5 | 0 | 0 | 0 | 110.4 | Q74 G121 H123 | Q74-P119 HydrophobicContact CB-CB 3.94Å; P119-G121 PolarHBondContact O-N 2.87Å; P119-H123 PolarHBondContact O-NE2 3.36Å | ||
| 120 | E | 92.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -57.1 | 135.9 | 176 | -63.7 | 165.2 | -157.4 | 0 | 0 | 112.1 | R77 V155 K157 | R77-E120 IonicContact CZ-OE1 3.79Å; R77-E120 VanDerWaalsContact CZ-OE1 3.27Å; R77-E120 IonicContact NE-OE1 2.74Å; R77-E120 PolarHBondContact NE-OE1 3.38Å; R77-E120 VanDerWaalsContact NE-OE1 3.14Å; R77-E120 IonicContact NH2-OE1 3.51Å; R77-E120 PolarHBondContact NH2-OE1 2.6Å; E120-V155 CarbonylContact C-O 3.54Å; E120-V155 VanDerWaalsContact CA-O 3.3Å; E120-V155 WeakPolarHBondContact CA-O 3.44Å; E120-K157 VanDerWaalsContact CD-CE 3.47Å; E120-K157 VanDerWaalsContact CD-CG 3.41Å; E120-K157 HydrophobicContact CG-CG 4.4Å; E120-K157 WeakPolarHBondContact OE1-CE 3.4Å; E120-K157 WeakPolarHBondContact OE1-CG 3.3Å; E120-K157 WeakPolarHBondContact OE2-CE 3.36Å; E120-K157 WeakPolarHBondContact OE2-CG 3.33Å; E120-K157 IonicContact OE2-NZ 3.95Å |
| 121 | G | 93.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | -164.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P119 V155 | P119-G121 PolarHBondContact O-N 2.87Å; G121-V155 PolarHBondContact N-O 3.04Å; G121-V155 PolarHBondContact O-N 3.3Å |
| 122 | E | 94.9 | Very high | 94.9 | Very high | 131 Ų | 131 | 47.5 Ų | 47.5 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.4 | -179.4 | -57.6 | -162.3 | 159 | 0 | 0 | 111.1 | L152 H154 | E122-L152 HydrophobicContact CB-CD1 4.12Å; E122-H154 VanDerWaalsContact CD-NE2 3.33Å; E122-H154 IonicContact OE1-CD2 3.94Å; E122-H154 IonicContact OE1-CE1 3.74Å; E122-H154 IonicContact OE1-NE2 2.8Å; E122-H154 PolarHBondContact OE1-NE2 3.14Å |
| 123 | H | 95.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128 | 175.8 | -63.1 | -78 | 0 | 0 | 0 | 111.5 | S95 L118 P119 L152 I153 | S95-H123 WeakPolarHBondContact OG-CA 3.34Å; L118-H123 HydrophobicContact CD1-CB 4.4Å; P119-H123 PolarHBondContact O-NE2 3.36Å; H123-L152 WeakPolarHBondContact O-CA 3.27Å; H123-I153 HydrophobicContact CB-CG2 3.86Å; H123-I153 PolarHBondContact N-O 3.05Å; H123-I153 PolarHBondContact O-N 3.49Å |
| 124 | Q | 95.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.6 | 172.6 | -65.4 | -174.5 | 20.8 | 0 | 0 | 109.6 | G94 S95 W99 V142 N150 N151 L152 | G94-Q124 CarbonylContact C-O 3.54Å; G94-Q124 WeakPolarHBondContact CA-O 3.42Å; S95-Q124 PolarHBondContact N-O 3.15Å; S95-Q124 PolarHBondContact OG-N 3.04Å; S95-Q124 VanDerWaalsContact OG-N 3.09Å; S95-Q124 PolarHBondContact OG-O 3.31Å; W99-Q124 HydrophobicContact CZ2-CB 3.95Å; Q124-V142 HydrophobicContact CG-CG1 3.73Å; Q124-N150 HydrophobicContact CB-CB 4.35Å; Q124-N150 PolarHBondContact OE1-ND2 3.01Å; Q124-N151 CarbonylContact C-O 3.56Å; Q124-N151 VanDerWaalsContact CA-O 3.3Å; Q124-N151 WeakPolarHBondContact CA-O 3.36Å; Q124-L152 HydrophobicContact CG-CD1 4.08Å |
| 125 | Y | 96.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 164.6 | 179.2 | 68.9 | -83.7 | 0 | 0 | 0 | 112.2 | I81 I92 S93 F127 N151 I153 | I81-Y125 HydrophobicContact CG2-CD2 4.29Å; I81-Y125 HydrophobicContact CG2-CE2 3.82Å; I92-Y125 HydrophobicContact CD1-CD2 3.56Å; I92-Y125 HydrophobicContact CD1-CE2 4.32Å; I92-Y125 HydrophobicContact CD1-CG 4.07Å; I92-Y125 HydrophobicContact CG1-CD2 4.2Å; S93-Y125 CarbonylContact O-C 3.48Å; S93-Y125 WeakPolarHBondContact O-CA 3.32Å; Y125-F127 HydrophobicContact CD2-CE2 4.18Å; Y125-F127 HydrophobicContact CD2-CZ 4.23Å; Y125-F127 HydrophobicContact CE2-CD2 4.48Å; Y125-F127 AromaticContact CE2-CE2 3.6Å; Y125-F127 HydrophobicContact CE2-CE2 3.6Å; Y125-F127 AromaticContact CE2-CZ 3.69Å; Y125-F127 HydrophobicContact CE2-CZ 3.69Å; Y125-N151 HydrophobicContact CD1-CB 3.89Å; Y125-N151 HydrophobicContact CD2-CB 3.99Å; Y125-N151 HydrophobicContact CE1-CB 3.45Å; Y125-N151 VanDerWaalsContact CE1-CB 3.45Å; Y125-N151 HydrophobicContact CE2-CB 3.57Å; Y125-N151 HydrophobicContact CG-CB 4.15Å; Y125-N151 PolarHBondContact N-O 3.01Å; Y125-N151 PolarHBondContact O-N 3.22Å; Y125-I153 HydrophobicContact CD1-CB 4.49Å; Y125-I153 HydrophobicContact CD1-CG2 3.98Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.91Å |
| 126 | K | 96 | Very high | 94.9 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.3 | 176.1 | -159 | 167.5 | -171.9 | 160.4 | 0 | 111.2 | S93 W99 W133 V134 I149 | S93-K126 PolarHBondContact N-O 2.8Å; S93-K126 VanDerWaalsContact N-O 3.12Å; S93-K126 PolarHBondContact O-N 3.28Å; W99-K126 HydrophobicContact CH2-CB 4.08Å; W99-K126 HydrophobicContact CZ3-CB 3.7Å; K126-W133 HydrophobicContact CB-CE3 4.05Å; K126-W133 HydrophobicContact CB-CZ3 4.19Å; K126-W133 HydrophobicContact CD-CB 4.26Å; K126-W133 HydrophobicContact CD-CE3 4.12Å; K126-W133 HydrophobicContact CG-CE3 3.97Å; K126-V134 WeakPolarHBondContact CG-O 3.26Å; K126-I149 VanDerWaalsContact CE-O 3.29Å; K126-I149 WeakPolarHBondContact CE-O 3.24Å; K126-I149 PolarHBondContact NZ-O 3.44Å |
| 127 | F | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.2 | 176.7 | -61.8 | -76.4 | 0 | 0 | 0 | 111.3 | I81 R82 W83 V90 F91 I92 L105 Y125 V129 W133 V134 D136 | I81-F127 HydrophobicContact CG2-CE1 4.07Å; I81-F127 HydrophobicContact CG2-CZ 3.74Å; R82-F127 WeakPolarHBondContact O-CZ 3.33Å; W83-F127 HydrophobicContact CB-CD1 4.26Å; W83-F127 HydrophobicContact CB-CE1 3.92Å; W83-F127 HydrophobicContact CB-CZ 4.1Å; W83-F127 HydrophobicContact CD2-CD2 4.28Å; W83-F127 HydrophobicContact CD2-CG 4.25Å; W83-F127 HydrophobicContact CE3-CB 4.3Å; W83-F127 HydrophobicContact CE3-CD1 4.37Å; W83-F127 AromaticContact CE3-CD2 3.37Å; W83-F127 HydrophobicContact CE3-CD2 3.37Å; W83-F127 AromaticContact CE3-CE2 3.64Å; W83-F127 HydrophobicContact CE3-CE2 3.64Å; W83-F127 AromaticContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CG 3.76Å; W83-F127 HydrophobicContact CE3-CZ 4.24Å; W83-F127 HydrophobicContact CZ3-CB 4.43Å; W83-F127 AromaticContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CD2 3.71Å; W83-F127 HydrophobicContact CZ3-CE2 4.26Å; W83-F127 HydrophobicContact CZ3-CG 4.24Å; V90-F127 HydrophobicContact CG1-CD1 4.26Å; F91-F127 CarbonylContact O-C 3.41Å; F91-F127 WeakPolarHBondContact O-CA 3.41Å; I92-F127 HydrophobicContact CB-CD1 4.33Å; I92-F127 HydrophobicContact CB-CE1 4.48Å; I92-F127 HydrophobicContact CD1-CE1 4.11Å; I92-F127 HydrophobicContact CG1-CE1 4.5Å; L105-F127 HydrophobicContact CD2-CD1 4.35Å; L105-F127 HydrophobicContact CD2-CE1 3.88Å; Y125-F127 HydrophobicContact CD2-CE2 4.18Å; Y125-F127 HydrophobicContact CD2-CZ 4.23Å; Y125-F127 HydrophobicContact CE2-CD2 4.48Å; Y125-F127 AromaticContact CE2-CE2 3.6Å; Y125-F127 HydrophobicContact CE2-CE2 3.6Å; Y125-F127 AromaticContact CE2-CZ 3.69Å; Y125-F127 HydrophobicContact CE2-CZ 3.69Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; F127-W133 WeakPolarHBondContact O-CA 3.27Å; F127-V134 HydrophobicContact CB-CG2 4.04Å; F127-V134 PolarHBondContact N-O 2.81Å; F127-V134 PolarHBondContact O-N 2.93Å; F127-V134 VanDerWaalsContact O-O 3.09Å; F127-D136 HydrophobicContact CE2-CB 4Å |
| 128 | F | 96.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 53 Ų | 53 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 103.7 | 169.4 | -173.9 | -96.4 | 0 | 0 | 0 | 107.9 | F91 K102 G131 Q132 W133 | F91-F128 HydrophobicContact CB-CB 4.34Å; F91-F128 HydrophobicContact CD2-CD1 4.06Å; F91-F128 PolarHBondContact N-O 2.98Å; F91-F128 PolarHBondContact O-N 3.18Å; K102-F128 HydrophobicContact CD-CB 4.4Å; K102-F128 HydrophobicContact CD-CD1 3.92Å; K102-F128 HydrophobicContact CD-CE1 4.41Å; K102-F128 HydrophobicContact CD-CG 4.12Å; K102-F128 VanDerWaalsContact NZ-CD1 3.25Å; F128-G131 VanDerWaalsContact CE2-C 3.47Å; F128-G131 VanDerWaalsContact CE2-O 3.24Å; F128-G131 WeakPolarHBondContact CE2-O 3.42Å; F128-G131 VanDerWaalsContact CZ-CA 3.41Å; F128-G131 VanDerWaalsContact CZ-O 3.3Å; F128-G131 WeakPolarHBondContact CZ-O 3.47Å; F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 VanDerWaalsContact CA-O 3.32Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; F128-W133 HydrophobicContact CB-CD2 4.33Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.27Å; F128-W133 HydrophobicContact CB-CZ3 3.93Å; F128-W133 AromaticContact CD2-CD1 3.99Å; F128-W133 AromaticContact CD2-CD2 3.7Å; F128-W133 HydrophobicContact CD2-CD2 3.7Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.21Å; F128-W133 AromaticContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CZ2 4.14Å; F128-W133 AromaticContact CD2-NE1 3.81Å |
| 129 | V | 96.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.7 | -171.2 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | W83 E89 V90 F127 G131 Q132 V134 | W83-V129 HydrophobicContact CD2-CG2 4.45Å; W83-V129 HydrophobicContact CH2-CG2 4.45Å; W83-V129 HydrophobicContact CZ2-CG2 3.71Å; E89-V129 WeakPolarHBondContact O-CA 3.43Å; V90-V129 HydrophobicContact CG1-CG2 4.08Å; V90-V129 HydrophobicContact CG2-CG1 4.19Å; V90-V129 HydrophobicContact CG2-CG2 4.13Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; V129-G131 PolarHBondContact O-N 2.87Å; V129-Q132 PolarHBondContact N-O 3.03Å; V129-Q132 PolarHBondContact O-N 2.89Å; V129-V134 HydrophobicContact CB-CG2 3.93Å; V129-V134 HydrophobicContact CG2-CG2 3.5Å |
| 130 | D | 94.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 59 Ų | 59 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 32.1 | 174.7 | -65.6 | -9.6 | 0 | 0 | 0 | 114.4 | K88 E89 | K88-D130 WeakPolarHBondContact CA-OD1 3.48Å; K88-D130 WeakPolarHBondContact CB-OD1 3.49Å; K88-D130 PolarHBondContact N-OD1 3.09Å; K88-D130 PolarHBondContact N-OD2 3.01Å; K88-D130 VanDerWaalsContact N-OD2 3.14Å; E89-D130 PolarHBondContact N-OD1 2.77Å; E89-D130 PolarHBondContact O-N 2.94Å |
| 131 | G | 93 | Very high | 95.1 | Very high | 48 Ų | 48 | 60 Ų | 60 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.2 | -6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F128 V129 | F128-G131 VanDerWaalsContact CE2-C 3.47Å; F128-G131 VanDerWaalsContact CE2-O 3.24Å; F128-G131 WeakPolarHBondContact CE2-O 3.42Å; F128-G131 VanDerWaalsContact CZ-CA 3.41Å; F128-G131 VanDerWaalsContact CZ-O 3.3Å; F128-G131 WeakPolarHBondContact CZ-O 3.47Å; V129-G131 PolarHBondContact O-N 2.87Å |
| 132 | Q | 94.6 | Very high | 95.2 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 66% | 0.659 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.5 | -174.6 | -60.7 | -168.5 | -0.1 | 0 | 0 | 113.2 | F128 V129 | F128-Q132 CarbonylContact C-O 3.53Å; F128-Q132 VanDerWaalsContact CA-O 3.32Å; F128-Q132 WeakPolarHBondContact CA-O 3.48Å; V129-Q132 PolarHBondContact N-O 3.03Å; V129-Q132 PolarHBondContact O-N 2.89Å |
| 133 | W | 94.8 | Very high | 95.2 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 45% | 0.447 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.5 | 175.7 | -75.7 | 109.8 | 0 | 0 | 0 | 111.2 | K126 F127 F128 | K126-W133 HydrophobicContact CB-CE3 4.05Å; K126-W133 HydrophobicContact CB-CZ3 4.19Å; K126-W133 HydrophobicContact CD-CB 4.26Å; K126-W133 HydrophobicContact CD-CE3 4.12Å; K126-W133 HydrophobicContact CG-CE3 3.97Å; F127-W133 WeakPolarHBondContact O-CA 3.27Å; F128-W133 HydrophobicContact CB-CD2 4.33Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.27Å; F128-W133 HydrophobicContact CB-CZ3 3.93Å; F128-W133 AromaticContact CD2-CD1 3.99Å; F128-W133 AromaticContact CD2-CD2 3.7Å; F128-W133 HydrophobicContact CD2-CD2 3.7Å; F128-W133 AromaticContact CD2-CE2 3.65Å; F128-W133 HydrophobicContact CD2-CE3 4.21Å; F128-W133 AromaticContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CG 3.95Å; F128-W133 HydrophobicContact CD2-CZ2 4.14Å; F128-W133 AromaticContact CD2-NE1 3.81Å |
| 134 | V | 95.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 161.4 | -177.3 | -63 | 0 | 0 | 0 | 0 | 111 | W83 K126 F127 V129 | W83-V134 HydrophobicContact CH2-CB 4.14Å; W83-V134 HydrophobicContact CH2-CG2 3.42Å; W83-V134 VanDerWaalsContact CH2-CG2 3.42Å; W83-V134 HydrophobicContact CZ2-CG2 3.79Å; W83-V134 HydrophobicContact CZ3-CG2 4.12Å; K126-V134 WeakPolarHBondContact CG-O 3.26Å; F127-V134 HydrophobicContact CB-CG2 4.04Å; F127-V134 PolarHBondContact N-O 2.81Å; F127-V134 PolarHBondContact O-N 2.93Å; F127-V134 VanDerWaalsContact O-O 3.09Å; V129-V134 HydrophobicContact CB-CG2 3.93Å; V129-V134 HydrophobicContact CG2-CG2 3.5Å |
| 135 | H | 95.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 30% | 0.296 | 37% | 0.369 | S | S | . | . | trans | -120.7 | 155 | 174.1 | 67.9 | -84.6 | 0 | 0 | 0 | 108 | P137 N151 | H135-P137 WeakPolarHBondContact O-CD 3.3Å; H135-N151 VanDerWaalsContact CA-OD1 3.28Å; H135-N151 WeakPolarHBondContact CA-OD1 3.47Å; H135-N151 VanDerWaalsContact CB-OD1 3.29Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 136 | D | 95.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | trans | -77.3 | 122.3 | 172.8 | -164.8 | -48 | 0 | 0 | 0 | 109.1 | W83 F127 S138 E139 N151 | W83-D136 HydrophobicContact CE3-CB 4.22Å; W83-D136 HydrophobicContact CZ3-CB 4.11Å; F127-D136 HydrophobicContact CE2-CB 4Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CB 3.41Å; D136-S138 PolarHBondContact OD1-N 3.46Å; D136-S138 PolarHBondContact OD1-OG 2.9Å; D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.3Å; D136-N151 PolarHBondContact N-OD1 2.74Å; D136-N151 PolarHBondContact O-ND2 2.8Å | ||
| 137 | P | 93.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 75 Ų | 75 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -73.8 | -13.8 | 178.9 | -16.7 | 32.2 | 0 | 0 | 0 | 114.4 | H135 | H135-P137 WeakPolarHBondContact O-CD 3.3Š|
| 138 | S | 93.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -86.2 | -21.8 | 179.9 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | D136 | D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CB 3.41Å; D136-S138 PolarHBondContact OD1-N 3.46Å; D136-S138 PolarHBondContact OD1-OG 2.9Å |
| 139 | E | 94.6 | Very high | 93 | Very high | 88 Ų | 88 | 79.6 Ų | 79.6 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -97.6 | 154 | -179.1 | -68.7 | -65.6 | 154.9 | 0 | 0 | 112.1 | D136 N151 | D136-E139 HydrophobicContact CB-CB 4.29Å; D136-E139 HydrophobicContact CB-CG 4.3Å; E139-N151 PolarHBondContact O-ND2 3.14Å |
| 140 | P | 95.1 | Very high | 93 | Very high | 77 Ų | 77 | 79 Ų | 79 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | trans | -55 | 145.4 | 176.7 | -25.2 | 34.8 | 0 | 0 | 0 | 113.2 | N151 L152 | P140-N151 CarbonylContact O-C 3.49Å; P140-N151 VanDerWaalsContact O-CA 3.27Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.12Å; P140-L152 PolarHBondContact O-N 3.14Å | ||
| 141 | V | 96.3 | Very high | 93.1 | Very high | 76 Ų | 76 | 75 Ų | 75 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.9 | -179.8 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | I149 N150 N151 | V141-I149 HydrophobicContact CB-CG2 3.91Å; V141-I149 HydrophobicContact CG1-CG2 4.09Å; V141-I149 HydrophobicContact CG2-CG2 4.38Å; V141-N150 CarbonylContact C-O 3.55Å; V141-N150 VanDerWaalsContact CA-O 3.26Å; V141-N150 WeakPolarHBondContact CA-O 3.48Å; V141-N150 WeakPolarHBondContact CB-O 3.04Å; V141-N151 WeakPolarHBondContact CG1-ND2 3.49Å |
| 142 | V | 95.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 73.9 Ų | 73.9 | 26% | 0.261 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.1 | 173.5 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | Q124 N150 L152 | Q124-V142 HydrophobicContact CG-CG1 3.73Å; V142-N150 PolarHBondContact N-O 2.93Å; V142-N150 PolarHBondContact O-N 3.05Å; V142-L152 HydrophobicContact CB-CB 4.45Å; V142-L152 HydrophobicContact CB-CD2 4.32Å; V142-L152 HydrophobicContact CG1-CB 4.11Å; V142-L152 HydrophobicContact CG1-CD1 4.47Å; V142-L152 HydrophobicContact CG1-CD2 4.48Å |
| 143 | T | 94.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.8 | 175.2 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 144 | S | 88.2 | Confident | 93.2 | Very high | 36 Ų | 36 | 67 Ų | 67 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | trans | -67.4 | 160.4 | 174.6 | -176 | 0 | 0 | 0 | 0 | 112 | L146 G147 T148 | S144-L146 PolarHBondContact O-N 3.13Å; S144-G147 PolarHBondContact O-N 2.8Å; S144-T148 WeakPolarHBondContact CB-O 3.48Å; S144-T148 WeakPolarHBondContact CB-OG1 3.38Å; S144-T148 PolarHBondContact N-O 3.43Å | ||
| 145 | Q | 84.3 | Confident | 93.1 | Very high | 204 Ų | 204 | 65.6 Ų | 65.6 | 95% | 0.953 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.1 | 177.4 | -60.7 | 177.1 | 9 | 0 | 0 | 113.2 | G147 | Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å |
| 146 | L | 84.1 | Confident | 92.9 | Very high | 156 Ų | 156 | 67.8 Ų | 67.8 | 82% | 0.817 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 8.9 | 176.1 | -60.5 | 174.7 | 0 | 0 | 0 | 113.5 | S144 T148 | S144-L146 PolarHBondContact O-N 3.13Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.33Å |
| 147 | G | 87.9 | Confident | 92.5 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 77.9 | 2.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S144 Q145 | S144-G147 PolarHBondContact O-N 2.8Å; Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å |
| 148 | T | 91.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | trans | -81.9 | 123.2 | 178.9 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | S144 L146 | S144-T148 WeakPolarHBondContact CB-O 3.48Å; S144-T148 WeakPolarHBondContact CB-OG1 3.38Å; S144-T148 PolarHBondContact N-O 3.43Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 3.33Å | ||
| 149 | I | 95.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 35% | 0.354 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.7 | 170.1 | -56.2 | 171.5 | 0 | 0 | 0 | 109 | K126 V141 | K126-I149 VanDerWaalsContact CE-O 3.29Å; K126-I149 WeakPolarHBondContact CE-O 3.24Å; K126-I149 PolarHBondContact NZ-O 3.44Å; V141-I149 HydrophobicContact CB-CG2 3.91Å; V141-I149 HydrophobicContact CG1-CG2 4.09Å; V141-I149 HydrophobicContact CG2-CG2 4.38Å |
| 150 | N | 96.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.7 | 176.3 | -62.9 | -21.9 | 0 | 0 | 0 | 108.7 | W99 Q124 V141 V142 | W99-N150 HydrophobicContact CH2-CB 4.24Å; W99-N150 WeakPolarHBondContact CZ2-ND2 3.5Å; Q124-N150 HydrophobicContact CB-CB 4.35Å; Q124-N150 PolarHBondContact OE1-ND2 3.01Å; V141-N150 CarbonylContact C-O 3.55Å; V141-N150 VanDerWaalsContact CA-O 3.26Å; V141-N150 WeakPolarHBondContact CA-O 3.48Å; V141-N150 WeakPolarHBondContact CB-O 3.04Å; V142-N150 PolarHBondContact N-O 2.93Å; V142-N150 PolarHBondContact O-N 3.05Å |
| 151 | N | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 155.3 | 166 | -69.3 | 105.3 | 0 | 0 | 0 | 110.4 | Q124 Y125 H135 D136 E139 P140 V141 | Q124-N151 CarbonylContact C-O 3.56Å; Q124-N151 VanDerWaalsContact CA-O 3.3Å; Q124-N151 WeakPolarHBondContact CA-O 3.36Å; Y125-N151 HydrophobicContact CD1-CB 3.89Å; Y125-N151 HydrophobicContact CD2-CB 3.99Å; Y125-N151 HydrophobicContact CE1-CB 3.45Å; Y125-N151 VanDerWaalsContact CE1-CB 3.45Å; Y125-N151 HydrophobicContact CE2-CB 3.57Å; Y125-N151 HydrophobicContact CG-CB 4.15Å; Y125-N151 PolarHBondContact N-O 3.01Å; Y125-N151 PolarHBondContact O-N 3.22Å; H135-N151 VanDerWaalsContact CA-OD1 3.28Å; H135-N151 WeakPolarHBondContact CA-OD1 3.47Å; H135-N151 VanDerWaalsContact CB-OD1 3.29Å; H135-N151 WeakPolarHBondContact CB-OD1 3.34Å; D136-N151 PolarHBondContact N-OD1 2.74Å; D136-N151 PolarHBondContact O-ND2 2.8Å; E139-N151 PolarHBondContact O-ND2 3.14Å; P140-N151 CarbonylContact O-C 3.49Å; P140-N151 VanDerWaalsContact O-CA 3.27Å; P140-N151 WeakPolarHBondContact O-CA 3.36Å; P140-N151 PolarHBondContact O-ND2 3.12Å; V141-N151 WeakPolarHBondContact CG1-ND2 3.49Å |
| 152 | L | 95.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.4 | -179.9 | -178.9 | 62.8 | 0 | 0 | 0 | 109.4 | E122 H123 Q124 P140 V142 | E122-L152 HydrophobicContact CB-CD1 4.12Å; H123-L152 WeakPolarHBondContact O-CA 3.27Å; Q124-L152 HydrophobicContact CG-CD1 4.08Å; P140-L152 PolarHBondContact O-N 3.14Å; V142-L152 HydrophobicContact CB-CB 4.45Å; V142-L152 HydrophobicContact CB-CD2 4.32Å; V142-L152 HydrophobicContact CG1-CB 4.11Å; V142-L152 HydrophobicContact CG1-CD1 4.47Å; V142-L152 HydrophobicContact CG1-CD2 4.48Å |
| 153 | I | 95.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 79.7 Ų | 79.7 | 17% | 0.169 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.3 | 172.9 | -173.2 | 162.7 | 0 | 0 | 0 | 110.4 | T79 L118 H123 Y125 | T79-I153 HydrophobicContact CG2-CD1 3.51Å; L118-I153 HydrophobicContact CD1-CG2 4.42Å; H123-I153 HydrophobicContact CB-CG2 3.86Å; H123-I153 PolarHBondContact N-O 3.05Å; H123-I153 PolarHBondContact O-N 3.49Å; Y125-I153 HydrophobicContact CD1-CB 4.49Å; Y125-I153 HydrophobicContact CD1-CG2 3.98Å; Y125-I153 HydrophobicContact CE1-CB 3.94Å; Y125-I153 HydrophobicContact CE1-CG2 3.91Å |
| 154 | H | 94.1 | Very high | 90.2 | Very high | 83 Ų | 83 | 79.2 Ų | 79.2 | 38% | 0.384 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.7 | 176.8 | -71.8 | 81.4 | 0 | 0 | 0 | 109.5 | E122 | E122-H154 VanDerWaalsContact CD-NE2 3.33Å; E122-H154 IonicContact OE1-CD2 3.94Å; E122-H154 IonicContact OE1-CE1 3.74Å; E122-H154 IonicContact OE1-NE2 2.8Å; E122-H154 PolarHBondContact OE1-NE2 3.14Å |
| 155 | V | 93.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 78.4 Ų | 78.4 | 7% | 0.067 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 108.1 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | R77 T79 L118 E120 G121 | R77-V155 HydrophobicContact CB-CG1 4.33Å; T79-V155 HydrophobicContact CG2-CG2 4.17Å; L118-V155 HydrophobicContact CB-CG2 4.12Å; L118-V155 HydrophobicContact CD1-CG2 4.26Å; E120-V155 CarbonylContact C-O 3.54Å; E120-V155 VanDerWaalsContact CA-O 3.3Å; E120-V155 WeakPolarHBondContact CA-O 3.44Å; G121-V155 PolarHBondContact N-O 3.04Å; G121-V155 PolarHBondContact O-N 3.3Å |
| 156 | K | 90.3 | Very high | 90.5 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | trans | -104.5 | 168.6 | -179.1 | -52.2 | 165.8 | -174.9 | 160.3 | 0 | 111.4 | S158 D159 | K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 WeakPolarHBondContact CB-OG 3.27Å; K156-D159 WeakPolarHBondContact CA-OD2 3.24Å; K156-D159 VanDerWaalsContact CB-OD2 3.27Å; K156-D159 WeakPolarHBondContact CB-OD2 3.48Å; K156-D159 PolarHBondContact N-OD2 3.04Å | ||
| 157 | K | 87.7 | Confident | 90.7 | Very high | 140 Ų | 140 | 72.4 Ų | 72.4 | 61% | 0.609 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64.3 | -38 | 174 | -69.5 | -167.3 | 173.4 | -171.9 | 0 | 113.2 | R77 E120 D159 | R77-K157 PolarHBondContact NH1-O 2.81Å; E120-K157 VanDerWaalsContact CD-CE 3.47Å; E120-K157 VanDerWaalsContact CD-CG 3.41Å; E120-K157 HydrophobicContact CG-CG 4.4Å; E120-K157 WeakPolarHBondContact OE1-CE 3.4Å; E120-K157 WeakPolarHBondContact OE1-CG 3.3Å; E120-K157 WeakPolarHBondContact OE2-CE 3.36Å; E120-K157 WeakPolarHBondContact OE2-CG 3.33Å; E120-K157 IonicContact OE2-NZ 3.95Å; K157-D159 VanDerWaalsContact C-N 3.32Å; K157-D159 PolarHBondContact O-N 3Å |
| 158 | S | 85.9 | Confident | 90.6 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -62.2 | -33.7 | -177.1 | 40.8 | 0 | 0 | 0 | 0 | 114 | K156 F160 E161 A165 L168 | K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 WeakPolarHBondContact CB-OG 3.27Å; S158-F160 PolarHBondContact O-N 3.01Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-A165 PolarHBondContact O-N 3.03Å; S158-L168 VanDerWaalsContact CB-CD1 3.41Å; S158-L168 VanDerWaalsContact OG-CD1 3.24Å; S158-L168 WeakPolarHBondContact OG-CD1 3.17Å |
| 159 | D | 85.8 | Confident | 90.3 | Very high | 75 Ų | 75 | 73.9 Ų | 73.9 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -74.4 | -0.2 | -164.6 | -43 | -20.6 | 0 | 0 | 0 | 112.5 | K156 K157 | K156-D159 WeakPolarHBondContact CA-OD2 3.24Å; K156-D159 VanDerWaalsContact CB-OD2 3.27Å; K156-D159 WeakPolarHBondContact CB-OD2 3.48Å; K156-D159 PolarHBondContact N-OD2 3.04Å; K157-D159 VanDerWaalsContact C-N 3.32Å; K157-D159 PolarHBondContact O-N 3Å |
| 160 | F | 83.8 | Confident | 89.9 | Confident | 104 Ų | 104 | 74 Ų | 74 | 46% | 0.456 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -118 | -27.5 | -173 | -136.7 | -89.5 | 0 | 0 | 0 | 112.4 | R77 P78 S158 | R77-F160 HydrophobicContact CB-CD2 3.89Å; R77-F160 HydrophobicContact CB-CE2 3.71Å; R77-F160 HydrophobicContact CG-CD2 4.07Å; R77-F160 HydrophobicContact CG-CE2 4.19Å; P78-F160 HydrophobicContact CG-CE2 3.83Å; P78-F160 HydrophobicContact CG-CZ 3.58Å; S158-F160 PolarHBondContact O-N 3.01Å |
| 161 | E | 89.6 | Confident | 89.2 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -87.6 | 106.9 | 169.1 | -74 | -59.8 | 156.5 | 0 | 0 | 108.1 | S158 F163 D164 A165 | S158-E161 PolarHBondContact O-N 3.49Å; E161-F163 PolarHBondContact O-N 3.29Å; E161-D164 HydrophobicContact CB-CB 4.12Å; E161-D164 PolarHBondContact O-N 2.93Å; E161-A165 PolarHBondContact O-N 3.14Å |
| 162 | V | 89.9 | Confident | 88.4 | Confident | 98 Ų | 98 | 86 Ų | 86 | 59% | 0.594 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -52.9 | -35.7 | -169.4 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | L166 | V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.45Å; V162-L166 WeakPolarHBondContact O-CB 3.21Å; V162-L166 WeakPolarHBondContact O-CD1 3.46Å; V162-L166 WeakPolarHBondContact O-CG 3.37Å; V162-L166 PolarHBondContact O-N 3.15Å; V162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | F | 89.1 | Confident | 87.1 | Confident | 173 Ų | 173 | 88.8 Ų | 88.8 | 76% | 0.759 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -72.1 | -33.8 | 177.6 | -63.6 | -67.4 | 0 | 0 | 0 | 113.6 | E161 K167 | E161-F163 PolarHBondContact O-N 3.29Å; F163-K167 VanDerWaalsContact O-CB 3.25Å; F163-K167 WeakPolarHBondContact O-CB 3.37Å; F163-K167 PolarHBondContact O-N 3.08Å; F163-K167 VanDerWaalsContact O-N 3.15Å |
| 164 | D | 89.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 88.8 Ų | 88.8 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.3 | -40.3 | 177.5 | -75.3 | -21.7 | 0 | 0 | 0 | 111 | E161 K167 L168 | E161-D164 HydrophobicContact CB-CB 4.12Å; E161-D164 PolarHBondContact O-N 2.93Å; D164-K167 WeakPolarHBondContact O-CB 3.48Å; D164-K167 PolarHBondContact O-N 2.86Å; D164-L168 WeakPolarHBondContact O-CG 3.45Å; D164-L168 PolarHBondContact O-N 3.2Å |
| 165 | A | 89.8 | Confident | 83.4 | Confident | 19 Ų | 19 | 93.9 Ų | 93.9 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -56.3 | -56.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S158 E161 K167 L168 D169 | S158-A165 PolarHBondContact O-N 3.03Å; E161-A165 PolarHBondContact O-N 3.14Å; A165-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact O-N 3.14Å; A165-L168 PolarHBondContact O-N 2.99Å; A165-D169 VanDerWaalsContact O-CG 3.32Å; A165-D169 PolarHBondContact O-N 2.96Å |
| 166 | L | 89.7 | Confident | 81.5 | Confident | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -31.3 | 177.7 | -72.1 | 171.8 | 0 | 0 | 0 | 113.1 | V162 S170 | V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.45Å; V162-L166 WeakPolarHBondContact O-CB 3.21Å; V162-L166 WeakPolarHBondContact O-CD1 3.46Å; V162-L166 WeakPolarHBondContact O-CG 3.37Å; V162-L166 PolarHBondContact O-N 3.15Å; V162-L166 VanDerWaalsContact O-N 3.08Å; L166-S170 VanDerWaalsContact O-CB 3.27Å; L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-OG 3.25Å |
| 167 | K | 86.8 | Confident | 79.5 | Confident | 129 Ų | 129 | 97.7 Ų | 97.7 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.3 | -39.2 | 175.8 | -175.1 | -176.8 | -179.9 | -172.3 | 0 | 111.8 | F163 D164 A165 S170 M171 | F163-K167 VanDerWaalsContact O-CB 3.25Å; F163-K167 WeakPolarHBondContact O-CB 3.37Å; F163-K167 PolarHBondContact O-N 3.08Å; F163-K167 VanDerWaalsContact O-N 3.15Å; D164-K167 WeakPolarHBondContact O-CB 3.48Å; D164-K167 PolarHBondContact O-N 2.86Å; A165-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact O-N 3.14Å; K167-S170 PolarHBondContact O-OG 3.02Å; K167-M171 HydrophobicContact CG-CE 4.07Å; K167-M171 WeakPolarHBondContact O-CE 2.76Å; K167-M171 PolarHBondContact O-N 2.95Å |
| 168 | L | 85.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -46.2 | 174.3 | -68 | -176.8 | 0 | 0 | 0 | 111.5 | S158 D164 A165 S170 M171 E172 | S158-L168 VanDerWaalsContact CB-CD1 3.41Å; S158-L168 VanDerWaalsContact OG-CD1 3.24Å; S158-L168 WeakPolarHBondContact OG-CD1 3.17Å; D164-L168 WeakPolarHBondContact O-CG 3.45Å; D164-L168 PolarHBondContact O-N 3.2Å; A165-L168 PolarHBondContact O-N 2.99Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 3.45Å; L168-M171 HydrophobicContact CD2-CE 3.94Å; L168-M171 HydrophobicContact CD2-SD 3.89Å; L168-M171 WeakPolarHBondContact O-CG 3.29Å; L168-M171 PolarHBondContact O-N 2.71Å; L168-M171 VanDerWaalsContact O-N 3.15Å; L168-E172 PolarHBondContact O-N 2.66Å |
| 169 | D | 86.4 | Confident | 75.8 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 178.4 | -60.5 | -14 | 0 | 0 | 0 | 111.9 | A165 E172 S173 | A165-D169 VanDerWaalsContact O-CG 3.32Å; A165-D169 PolarHBondContact O-N 2.96Å; D169-E172 PolarHBondContact O-N 3.3Å; D169-S173 WeakPolarHBondContact O-CB 3.49Å; D169-S173 PolarHBondContact O-N 3.47Å; D169-S173 PolarHBondContact O-OG 2.83Å |
| 170 | S | 86.1 | Confident | 74.1 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70 | -30.4 | 179 | 65 | 0 | 0 | 0 | 0 | 113.6 | L166 K167 L168 S174 | L166-S170 VanDerWaalsContact O-CB 3.27Å; L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-OG 3.25Å; K167-S170 PolarHBondContact O-OG 3.02Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 3.45Å; S170-S174 WeakPolarHBondContact O-CB 3.3Å |
| 171 | M | 81.2 | Confident | 72.5 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.5 | -33.3 | 173.8 | 64.7 | 177.6 | 75.5 | 0 | 0 | 112.7 | K167 L168 S174 | K167-M171 HydrophobicContact CG-CE 4.07Å; K167-M171 WeakPolarHBondContact O-CE 2.76Å; K167-M171 PolarHBondContact O-N 2.95Å; L168-M171 HydrophobicContact CD2-CE 3.94Å; L168-M171 HydrophobicContact CD2-SD 3.89Å; L168-M171 WeakPolarHBondContact O-CG 3.29Å; L168-M171 PolarHBondContact O-N 2.71Å; L168-M171 VanDerWaalsContact O-N 3.15Å; M171-S174 VanDerWaalsContact O-CB 3.29Å; M171-S174 WeakPolarHBondContact O-CB 3.07Å; M171-S174 PolarHBondContact O-N 2.81Å; M171-S174 VanDerWaalsContact O-N 3.12Å; M171-S174 PolarHBondContact O-OG 3.31Å |
| 172 | E | 78.8 | Confident | 70.7 | Confident | 161 Ų | 161 | 108.2 Ų | 108.2 | 75% | 0.752 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.1 | -37.9 | 174.6 | -173.9 | 155.1 | -144.2 | 0 | 0 | 111.5 | L168 D169 S174 | L168-E172 PolarHBondContact O-N 2.66Å; D169-E172 PolarHBondContact O-N 3.3Å; E172-S174 PolarHBondContact O-N 3.35Å; E172-S174 VanDerWaalsContact O-N 3.14Å |
| 173 | S | 70.1 | Confident | 69.3 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 57% | 0.573 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -9.5 | 171.6 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | D169 E175 | D169-S173 WeakPolarHBondContact O-CB 3.49Å; D169-S173 PolarHBondContact O-N 3.47Å; D169-S173 PolarHBondContact O-OG 2.83Å; S173-E175 PolarHBondContact O-N 3.18Å |
| 174 | S | 59.5 | Low | 67.9 | Low | 32 Ų | 32 | 103.6 Ų | 103.6 | 22% | 0.224 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -84.9 | -8.9 | -164 | 78.3 | 0 | 0 | 0 | 0 | 115.6 | S170 M171 E172 T176 S177 C178 | S170-S174 WeakPolarHBondContact O-CB 3.3Å; M171-S174 VanDerWaalsContact O-CB 3.29Å; M171-S174 WeakPolarHBondContact O-CB 3.07Å; M171-S174 PolarHBondContact O-N 2.81Å; M171-S174 VanDerWaalsContact O-N 3.12Å; M171-S174 PolarHBondContact O-OG 3.31Å; E172-S174 PolarHBondContact O-N 3.35Å; E172-S174 VanDerWaalsContact O-N 3.14Å; S174-T176 PolarHBondContact O-N 3.11Å; S174-S177 CarbonylContact O-C 3.54Å; S174-S177 PolarHBondContact O-N 2.64Å; S174-S177 VanDerWaalsContact O-N 3.11Å; S174-C178 VanDerWaalsContact CB-SG 3.6Å; S174-C178 PolarHBondContact O-N 3.26Å |
| 175 | E | 51.9 | Low | 66.9 | Low | 191 Ų | 191 | 104.5 Ų | 104.5 | 89% | 0.893 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.9 | -16.5 | 174.3 | -68.6 | -151.8 | 146 | 0 | 0 | 113.9 | S173 | S173-E175 PolarHBondContact O-N 3.18Å |
| 176 | T | 53 | Low | 66 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 85% | 0.847 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -119.7 | -9.6 | 170.1 | 57.4 | 0 | 0 | 0 | 0 | 115.1 | S174 | S174-T176 PolarHBondContact O-N 3.11Å |
| 177 | S | 48.7 | Very low | 65.4 | Low | 64 Ų | 64 | 106.3 Ų | 106.3 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -162.9 | 93.8 | 167.5 | 58 | 0 | 0 | 0 | 0 | 114.5 | S174 R179 | S174-S177 CarbonylContact O-C 3.54Å; S174-S177 PolarHBondContact O-N 2.64Å; S174-S177 VanDerWaalsContact O-N 3.11Å; S177-R179 PolarHBondContact O-N 3.34Å |
| 178 | C | 44.8 | Very low | 65.2 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 62% | 0.615 | 62% | 0.621 | S | S | * | * | trans | -64.8 | 68.8 | 145.5 | -66.7 | 0 | 0 | 0 | 0 | 109.8 | S174 D180 | S174-C178 VanDerWaalsContact CB-SG 3.6Å; S174-C178 PolarHBondContact O-N 3.26Å; C178-D180 VanDerWaalsContact C-N 3.34Å; C178-D180 PolarHBondContact O-N 3.02Å | ||
| 179 | R | 50.8 | Low | 65.1 | Low | 198 Ų | 198 | 113.2 Ų | 113.2 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | trans | -87.3 | 85.3 | 161 | -81.3 | 178.2 | 172.6 | -167.1 | -2.3 | 106.9 | S177 L181 | S177-R179 PolarHBondContact O-N 3.34Å; R179-L181 PolarHBondContact O-N 3.48Å | ||
| 180 | D | 49.9 | Very low | 65 | Low | 136 Ų | 136 | 112.1 Ų | 112.1 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -43.2 | 142.9 | 155.4 | -77.8 | -47.3 | 0 | 0 | 0 | 108.7 | C178 S182 | C178-D180 VanDerWaalsContact C-N 3.34Å; C178-D180 PolarHBondContact O-N 3.02Å; D180-S182 PolarHBondContact O-N 2.97Å | ||
| 181 | L | 51.4 | Low | 65.1 | Low | 187 Ų | 187 | 118.3 Ų | 118.3 | 98% | 0.979 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -69.4 | 24 | 175 | -60.8 | 172.5 | 0 | 0 | 0 | 112.7 | R179 | R179-L181 PolarHBondContact O-N 3.48Š|
| 182 | S | 50.7 | Low | 65.4 | Low | 68 Ų | 68 | 122.6 Ų | 122.6 | 48% | 0.476 | 69% | 0.694 | S | S | . | * | trans | -71.1 | 133.8 | 169.5 | -173 | 0 | 0 | 0 | 0 | 109.9 | D180 S184 | D180-S182 PolarHBondContact O-N 2.97Å; S182-S184 PolarHBondContact O-N 2.76Å; S182-S184 WeakPolarHBondContact OG-CB 3.04Å; S182-S184 PolarHBondContact OG-N 3.34Å | ||
| 183 | S | 59.8 | Low | 65.5 | Low | 130 Ų | 130 | 123.7 Ų | 123.7 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -71.1 | -2.7 | 168.3 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 184 | S | 59.4 | Low | 66 | Low | 43 Ų | 43 | 126.9 Ų | 126.9 | 30% | 0.301 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -87.8 | 145.5 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 111 | S182 Y189 | S182-S184 PolarHBondContact O-N 2.76Å; S182-S184 WeakPolarHBondContact OG-CB 3.04Å; S182-S184 PolarHBondContact OG-N 3.34Å; S184-Y189 PolarHBondContact OG-OH 3.17Å |
| 185 | P | 68.9 | Low | 66.9 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 144.8 | 170.2 | -24.9 | 34.6 | 0 | 0 | 0 | 111.8 | ||
| 186 | P | 72.1 | Confident | 67.9 | Low | 104 Ų | 104 | 126.1 Ų | 126.1 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -59.7 | 137.5 | 175.9 | -24 | 34 | 0 | 0 | 0 | 112.4 | ||
| 187 | G | 76.5 | Confident | 69 | Low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 107.7 | 172.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 188 | P | 82.4 | Confident | 69.9 | Low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -71.4 | 150.9 | 177.4 | 30.6 | -35 | 0 | 0 | 0 | 111.7 | G190 | P188-G190 PolarHBondContact O-N 3.15Š| ||
| 189 | Y | 84.4 | Confident | 71.1 | Confident | 201 Ų | 201 | 131.2 Ų | 131.2 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | -66.3 | 113.7 | 170.2 | -71.4 | -85.6 | 0 | 0 | 0 | 110.3 | S184 | S184-Y189 PolarHBondContact OG-OH 3.17Š| ||
| 190 | G | 85.2 | Confident | 72 | Confident | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | trans | -105 | 163.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P188 | P188-G190 PolarHBondContact O-N 3.15Š| ||
| 191 | Q | 88.2 | Confident | 72.6 | Confident | 204 Ų | 204 | 126.7 Ų | 126.7 | 95% | 0.953 | 68% | 0.683 | S | S | * | * | trans | -101.9 | -0.2 | 169.3 | -67 | -177.7 | -14.1 | 0 | 0 | 112.7 | ||||
| 192 | E | 86.1 | Confident | 73.5 | Confident | 187 Ų | 187 | 126.7 Ų | 126.7 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -66.8 | 135.3 | 179.5 | -61.8 | -168.3 | 171.6 | 0 | 0 | 111 | Y194 | E192-Y194 PolarHBondContact O-N 3.07Š|
| 193 | M | 81.2 | Confident | 75 | Confident | 185 Ų | 185 | 130.9 Ų | 130.9 | 91% | 0.911 | 69% | 0.685 | S | S | * | * | trans | -67.8 | 131.5 | 179.4 | -166.8 | 174.1 | -170.1 | 0 | 0 | 109.8 | A195 | M193-A195 PolarHBondContact O-N 3.1Š| ||
| 194 | Y | 81.3 | Confident | 76.2 | Confident | 148 Ų | 148 | 129.6 Ų | 129.6 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | trans | -59.4 | 111 | -176.8 | -172.9 | -99.8 | 0 | 0 | 0 | 111.9 | E192 F196 E200 | E192-Y194 PolarHBondContact O-N 3.07Å; Y194-F196 PolarHBondContact O-N 3.05Å; Y194-F196 VanDerWaalsContact O-N 3.17Å; Y194-E200 PolarHBondContact OH-OE2 3.41Å | ||
| 195 | A | 79.2 | Confident | 77.7 | Confident | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 103.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | M193 R197 | M193-A195 PolarHBondContact O-N 3.1Å; A195-R197 PolarHBondContact O-N 3.47Å | ||
| 196 | F | 72.9 | Confident | 78.9 | Confident | 125 Ų | 125 | 134 Ų | 134 | 55% | 0.548 | 70% | 0.704 | S | S | . | * | trans | -60.8 | 115.3 | -175.4 | -162.7 | -69.2 | 0 | 0 | 0 | 111.8 | Y194 E200 R201 | Y194-F196 PolarHBondContact O-N 3.05Å; Y194-F196 VanDerWaalsContact O-N 3.17Å; F196-E200 HydrophobicContact CE1-CB 3.95Å; F196-E200 HydrophobicContact CZ-CB 4.03Å; F196-R201 HydrophobicContact CD1-CG 3.85Å; F196-R201 VanDerWaalsContact CE1-CA 3.43Å; F196-R201 HydrophobicContact CE1-CB 3.98Å; F196-R201 HydrophobicContact CE1-CG 3.34Å; F196-R201 VanDerWaalsContact CE1-N 3.35Å; F196-R201 HydrophobicContact CZ-CG 4.24Å | ||
| 197 | R | 74.9 | Confident | 80 | Confident | 161 Ų | 161 | 136.8 Ų | 136.8 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | trans | -78.5 | 142.5 | 179.5 | -66.4 | -172.7 | 179.9 | -164.5 | 1.8 | 112.1 | A195 E199 E200 | A195-R197 PolarHBondContact O-N 3.47Å; R197-E199 PolarHBondContact O-N 3.14Å; R197-E200 HydrophobicContact CB-CG 4.37Å; R197-E200 PolarHBondContact O-N 3.33Å | ||
| 198 | S | 68.8 | Low | 81 | Confident | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -57.9 | -34.3 | -179.1 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | E200 R201 | S198-E200 PolarHBondContact O-N 2.96Å; S198-R201 PolarHBondContact O-N 3.25Å |
| 199 | E | 69.6 | Low | 81.6 | Confident | 150 Ų | 150 | 135.8 Ų | 135.8 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -65.8 | -20.8 | 177.1 | -62.9 | 108.3 | -154.7 | 0 | 0 | 113.8 | R197 | R197-E199 PolarHBondContact O-N 3.14Š|
| 200 | E | 69.1 | Low | 82.2 | Confident | 56 Ų | 56 | 130.4 Ų | 130.4 | 26% | 0.262 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -93.9 | -7 | -175.8 | -62.5 | -173.6 | 151.6 | 0 | 0 | 113.1 | Y194 F196 R197 S198 F202 K203 | Y194-E200 PolarHBondContact OH-OE2 3.41Å; F196-E200 HydrophobicContact CE1-CB 3.95Å; F196-E200 HydrophobicContact CZ-CB 4.03Å; R197-E200 HydrophobicContact CB-CG 4.37Å; R197-E200 PolarHBondContact O-N 3.33Å; S198-E200 PolarHBondContact O-N 2.96Å; E200-F202 PolarHBondContact O-N 3.24Å; E200-K203 PolarHBondContact O-N 3.38Å |
| 201 | R | 63.1 | Low | 82.8 | Confident | 183 Ų | 183 | 131.2 Ų | 131.2 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -17.6 | -171.8 | -85.4 | -165.7 | 174.4 | 175.6 | 0.7 | 114.3 | F196 S198 | F196-R201 HydrophobicContact CD1-CG 3.85Å; F196-R201 VanDerWaalsContact CE1-CA 3.43Å; F196-R201 HydrophobicContact CE1-CB 3.98Å; F196-R201 HydrophobicContact CE1-CG 3.34Å; F196-R201 VanDerWaalsContact CE1-N 3.35Å; F196-R201 HydrophobicContact CZ-CG 4.24Å; S198-R201 PolarHBondContact O-N 3.25Å |
| 202 | F | 68.8 | Low | 83.2 | Confident | 188 Ų | 188 | 122.9 Ų | 122.9 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 4.6 | -174.2 | -52.3 | -73.3 | 0 | 0 | 0 | 113.1 | E200 S204 | E200-F202 PolarHBondContact O-N 3.24Å; F202-S204 PolarHBondContact O-N 3.25Å |
| 203 | K | 82.6 | Confident | 83.6 | Confident | 155 Ų | 155 | 119.7 Ų | 119.7 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | trans | -86.3 | 105.2 | 173.5 | -64.3 | -178 | -176.3 | 172.8 | 0 | 109.6 | E200 | E200-K203 PolarHBondContact O-N 3.38Š| ||
| 204 | S | 86.5 | Confident | 84.2 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.1 | 168.9 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | F202 | F202-S204 PolarHBondContact O-N 3.25Š|
| 205 | P | 90.4 | Very high | 84.8 | Confident | 112 Ų | 112 | 110.1 Ų | 110.1 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 151.9 | 172.3 | 26.9 | -35.1 | 0 | 0 | 0 | 111 | ||
| 206 | P | 93.1 | Very high | 85.6 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 82% | 0.818 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 145.2 | 178.2 | 27.1 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 207 | I | 96.4 | Very high | 86.6 | Confident | 162 Ų | 162 | 103.6 Ų | 103.6 | 83% | 0.831 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.3 | 176.7 | -58.5 | 171.6 | 0 | 0 | 0 | 109.1 | P209 | I207-P209 WeakPolarHBondContact O-CD 2.99Š|
| 208 | L | 95.9 | Very high | 87.6 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 121.5 | 177.7 | 179.4 | 66.9 | 0 | 0 | 0 | 110.9 | L212 L213 | L208-L212 HydrophobicContact CD1-CB 4.44Å; L208-L212 HydrophobicContact CD1-CD1 4.01Å; L208-L213 HydrophobicContact CD2-CD2 3.79Å; L208-L213 HydrophobicContact CD2-CG 4.36Å |
| 209 | P | 96.8 | Very high | 88.7 | Confident | 61 Ų | 61 | 101.7 Ų | 101.7 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 127 | 176.7 | -24.6 | 35.4 | 0 | 0 | 0 | 111.3 | I207 H211 L212 | I207-P209 WeakPolarHBondContact O-CD 2.99Å; P209-H211 PolarHBondContact O-N 3.32Å; P209-L212 PolarHBondContact O-N 3.15Å |
| 210 | P | 96.9 | Very high | 89.7 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -64.5 | -18.8 | -173.4 | 25.2 | -35.1 | 0 | 0 | 0 | 113.6 | L212 L213 | P210-L212 PolarHBondContact O-N 3.18Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 3.17Å; P210-L213 VanDerWaalsContact O-N 3.14Å |
| 211 | H | 96.5 | Very high | 90.8 | Very high | 84 Ų | 84 | 103 Ų | 103 | 39% | 0.389 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -57.2 | -33.6 | 172.5 | -61.8 | 104.6 | 0 | 0 | 0 | 113.1 | P209 L213 Q214 V236 | P209-H211 PolarHBondContact O-N 3.32Å; H211-L213 PolarHBondContact O-N 3.18Å; H211-Q214 PolarHBondContact O-N 3.2Å; H211-V236 HydrophobicContact CB-CG1 4.46Å |
| 212 | L | 96.4 | Very high | 92 | Very high | 29 Ų | 29 | 99.1 Ų | 99.1 | 15% | 0.152 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -72.5 | -16.6 | -179.7 | -60.8 | -176.9 | 0 | 0 | 0 | 112.9 | L208 P209 P210 Q214 M237 H240 Y242 | L208-L212 HydrophobicContact CD1-CB 4.44Å; L208-L212 HydrophobicContact CD1-CD1 4.01Å; P209-L212 PolarHBondContact O-N 3.15Å; P210-L212 PolarHBondContact O-N 3.18Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-M237 HydrophobicContact CD2-CB 4.46Å; L212-H240 HydrophobicContact CD2-CB 4.44Å; L212-Y242 VanDerWaalsContact O-CE1 3.3Å; L212-Y242 WeakPolarHBondContact O-CE1 3.49Å; L212-Y242 PolarHBondContact O-OH 3.39Å |
| 213 | L | 95.8 | Very high | 93 | Very high | 121 Ų | 121 | 98.6 Ų | 98.6 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -78.8 | -13.1 | 175.2 | -57.7 | 175 | 0 | 0 | 0 | 112.9 | L208 P210 H211 V215 | L208-L213 HydrophobicContact CD2-CD2 3.79Å; L208-L213 HydrophobicContact CD2-CG 4.36Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 3.17Å; P210-L213 VanDerWaalsContact O-N 3.14Å; H211-L213 PolarHBondContact O-N 3.18Å; L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.25Å |
| 214 | Q | 93.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | trans | -85 | 57 | -176.2 | -59.9 | -171.2 | 6.3 | 0 | 0 | 112.9 | H211 L212 I216 M237 | H211-Q214 PolarHBondContact O-N 3.2Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; Q214-I216 PolarHBondContact O-N 3.37Å; Q214-I216 VanDerWaalsContact O-N 3.17Å; Q214-M237 HydrophobicContact CB-CE 4.5Å; Q214-M237 WeakPolarHBondContact O-CE 3.38Å | ||
| 215 | V | 94.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 93.6 Ų | 93.6 | 19% | 0.194 | 52% | 0.521 | C | S | . | . | trans | -50.1 | 119.1 | -175.6 | -171 | 0 | 0 | 0 | 0 | 111.8 | L213 L217 N218 Y242 | L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.25Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 HydrophobicContact CG1-CB 4.42Å; V215-L217 PolarHBondContact O-N 3.19Å; V215-N218 HydrophobicContact CB-CB 4.09Å; V215-N218 HydrophobicContact CG1-CB 4.4Å; V215-N218 PolarHBondContact O-N 3.39Å; V215-Y242 HydrophobicContact CB-CD1 4.46Å; V215-Y242 HydrophobicContact CB-CE1 4.42Å; V215-Y242 HydrophobicContact CG1-CD1 4.07Å; V215-Y242 HydrophobicContact CG1-CE1 4.45Å; V215-Y242 HydrophobicContact CG1-CG 4.43Å; V215-Y242 HydrophobicContact CG2-CD1 3.84Å; V215-Y242 HydrophobicContact CG2-CE1 3.78Å | ||
| 216 | I | 95.2 | Very high | 94 | Very high | 5 Ų | 5 | 92.6 Ų | 92.6 | 3% | 0.026 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -63.7 | -35.6 | -176.7 | -173.5 | 165.6 | 0 | 0 | 0 | 113.3 | Q214 N218 K219 L230 P231 P233 M237 T265 | Q214-I216 PolarHBondContact O-N 3.37Å; Q214-I216 VanDerWaalsContact O-N 3.17Å; I216-N218 PolarHBondContact O-N 3.1Å; I216-K219 PolarHBondContact O-N 3.48Å; I216-L230 HydrophobicContact CD1-CB 4.04Å; I216-L230 HydrophobicContact CD1-CD1 4.46Å; I216-L230 HydrophobicContact CG1-CB 4.33Å; I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 VanDerWaalsContact CD1-O 3.28Å; I216-P231 WeakPolarHBondContact CD1-O 3.25Å; I216-P231 HydrophobicContact CG1-CG 4.13Å; I216-P233 HydrophobicContact CD1-CB 3.99Å; I216-M237 HydrophobicContact CB-CE 4.46Å; I216-M237 HydrophobicContact CB-SD 4.2Å; I216-M237 HydrophobicContact CG2-SD 4.42Å; I216-T265 HydrophobicContact CG2-CG2 4.48Å |
| 217 | L | 95.2 | Very high | 94 | Very high | 65 Ų | 65 | 92.4 Ų | 92.4 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -73.8 | -12 | 178.9 | -63.4 | 176.2 | 0 | 0 | 0 | 113.7 | V215 L230 T265 L267 | V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 HydrophobicContact CG1-CB 4.42Å; V215-L217 PolarHBondContact O-N 3.19Å; L217-L230 HydrophobicContact CD2-CD1 3.85Å; L217-L230 HydrophobicContact CD2-CD2 4.25Å; L217-T265 HydrophobicContact CD1-CG2 4.03Å; L217-T265 HydrophobicContact CD2-CG2 3.93Å; L217-T265 HydrophobicContact CG-CG2 4.07Å; L217-L267 HydrophobicContact CD1-CD1 3.96Å; L217-L267 HydrophobicContact CD1-CD2 4.36Å; L217-L267 HydrophobicContact CD1-CG 4.22Å; L217-L267 HydrophobicContact CD2-CD1 4.34Å |
| 218 | N | 94.8 | Very high | 93.9 | Very high | 117 Ų | 117 | 88.7 Ų | 88.7 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -96.2 | 8.2 | 176.1 | -62.9 | 4.7 | 0 | 0 | 0 | 112.1 | V215 I216 | V215-N218 HydrophobicContact CB-CB 4.09Å; V215-N218 HydrophobicContact CG1-CB 4.4Å; V215-N218 PolarHBondContact O-N 3.39Å; I216-N218 PolarHBondContact O-N 3.1Å |
| 219 | K | 92 | Very high | 93.9 | Very high | 94 Ų | 94 | 88.4 Ų | 88.4 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -98.5 | 124.6 | 177.4 | -63.8 | -177.7 | -179.7 | -177.4 | 0 | 109.4 | I216 T221 P231 | I216-K219 PolarHBondContact O-N 3.48Å; K219-T221 PolarHBondContact O-N 2.92Å; K219-P231 HydrophobicContact CD-CG 4.37Å |
| 220 | D | 91.4 | Very high | 93.9 | Very high | 169 Ų | 169 | 88.8 Ų | 88.8 | 90% | 0.904 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 133.5 | 172.7 | -60.4 | -56.2 | 0 | 0 | 0 | 110.8 | ||
| 221 | T | 90.7 | Very high | 93.8 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 160.1 | 171.1 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | K219 I223 | K219-T221 PolarHBondContact O-N 2.92Å; T221-I223 PolarHBondContact O-N 3.46Å |
| 222 | N | 88.9 | Confident | 93.8 | Very high | 102 Ų | 102 | 90.4 Ų | 90.4 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 129.2 | 179 | -173.1 | -18 | 0 | 0 | 0 | 109.7 | S224 C225 | N222-S224 PolarHBondContact ND2-OG 3.42Å; N222-S224 PolarHBondContact O-N 2.94Å; N222-S224 PolarHBondContact OD1-N 2.87Å; N222-S224 VanDerWaalsContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 3.1Å; N222-C225 PolarHBondContact O-N 3.33Å; N222-C225 PolarHBondContact O-SG 3.13Å |
| 223 | I | 90.3 | Very high | 93.8 | Very high | 177 Ų | 177 | 89.6 Ų | 89.6 | 91% | 0.908 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -16.6 | 175.1 | 54.1 | 165.8 | 0 | 0 | 0 | 115 | T221 | T221-I223 PolarHBondContact O-N 3.46Š|
| 224 | S | 92.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 86.4 Ų | 86.4 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.4 | 176.3 | 73.6 | 0 | 0 | 0 | 0 | 115.3 | N222 | N222-S224 PolarHBondContact ND2-OG 3.42Å; N222-S224 PolarHBondContact O-N 2.94Å; N222-S224 PolarHBondContact OD1-N 2.87Å; N222-S224 VanDerWaalsContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 3.1Å |
| 225 | C | 91.9 | Very high | 94 | Very high | 52 Ų | 52 | 88 Ų | 88 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -105.3 | 163.5 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | N222 | N222-C225 PolarHBondContact O-N 3.33Å; N222-C225 PolarHBondContact O-SG 3.13Å |
| 226 | D | 94.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | trans | -57.9 | 127.7 | 174.6 | 175.5 | -10.7 | 0 | 0 | 0 | 110.5 | A228 L229 | D226-A228 PolarHBondContact O-N 3.39Å; D226-A228 VanDerWaalsContact O-N 3.11Å; D226-A228 WeakPolarHBondContact OD1-CB 3.4Å; D226-A228 PolarHBondContact OD1-N 3.09Å; D226-L229 HydrophobicContact CB-CD1 3.88Å; D226-L229 HydrophobicContact CB-CG 3.95Å; D226-L229 WeakPolarHBondContact O-CB 3.43Å; D226-L229 PolarHBondContact O-N 3.27Å | ||
| 227 | P | 93.8 | Very high | 94.2 | Very high | 122 Ų | 122 | 89 Ų | 89 | 79% | 0.792 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21 | 178.4 | -26.6 | 35.4 | 0 | 0 | 0 | 115.6 | L229 | P227-L229 VanDerWaalsContact C-N 3.31Š|
| 228 | A | 94.7 | Very high | 94.3 | Very high | 83 Ų | 83 | 86.5 Ų | 86.5 | 69% | 0.686 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D226 | D226-A228 PolarHBondContact O-N 3.39Å; D226-A228 VanDerWaalsContact O-N 3.11Å; D226-A228 WeakPolarHBondContact OD1-CB 3.4Å; D226-A228 PolarHBondContact OD1-N 3.09Å |
| 229 | L | 95.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 86.5 Ų | 86.5 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | trans | -86.8 | 130.1 | 179.1 | -64.1 | 176.4 | 0 | 0 | 0 | 111.5 | D226 P227 | D226-L229 HydrophobicContact CB-CD1 3.88Å; D226-L229 HydrophobicContact CB-CG 3.95Å; D226-L229 WeakPolarHBondContact O-CB 3.43Å; D226-L229 PolarHBondContact O-N 3.27Å; P227-L229 VanDerWaalsContact C-N 3.31Å | ||
| 230 | L | 95.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 85.9 Ų | 85.9 | 37% | 0.366 | 48% | 0.482 | S | S | . | . | trans | -111.9 | 154.5 | 173.4 | -64.7 | 176.1 | 0 | 0 | 0 | 110.2 | I216 L217 T265 | I216-L230 HydrophobicContact CD1-CB 4.04Å; I216-L230 HydrophobicContact CD1-CD1 4.46Å; I216-L230 HydrophobicContact CG1-CB 4.33Å; L217-L230 HydrophobicContact CD2-CD1 3.85Å; L217-L230 HydrophobicContact CD2-CD2 4.25Å; L230-T265 HydrophobicContact CD1-CG2 4.35Å; L230-T265 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 231 | P | 95.2 | Very high | 95 | Very high | 55 Ų | 55 | 83.6 Ų | 83.6 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 165.4 | 173.2 | 28.6 | -36 | 0 | 0 | 0 | 111.7 | I216 K219 P233 | I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 VanDerWaalsContact CD1-O 3.28Å; I216-P231 WeakPolarHBondContact CD1-O 3.25Å; I216-P231 HydrophobicContact CG1-CG 4.13Å; K219-P231 HydrophobicContact CD-CG 4.37Å; P231-P233 WeakPolarHBondContact O-CD 3.28Å |
| 232 | E | 95.9 | Very high | 95.3 | Very high | 149 Ų | 149 | 82.1 Ų | 82.1 | 70% | 0.696 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 124.7 | 177.4 | -174.5 | 164.2 | -165.3 | 0 | 0 | 111.3 | Y263 | E232-Y263 HydrophobicContact CG-CD2 4.4Å; E232-Y263 HydrophobicContact CG-CE2 3.8Å; E232-Y263 WeakPolarHBondContact OE1-CE2 3.49Å; E232-Y263 PolarHBondContact OE1-OH 3.13Å |
| 233 | P | 97 | Very high | 95.7 | Very high | 12 Ų | 12 | 80.4 Ų | 80.4 | 8% | 0.078 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 150.6 | 176.8 | 30.4 | -35.7 | 0 | 0 | 0 | 111.6 | I216 P231 M237 L238 T256 Y263 | I216-P233 HydrophobicContact CD1-CB 3.99Å; P231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-M237 HydrophobicContact CB-CG 4.14Å; P233-M237 HydrophobicContact CB-SD 3.65Å; P233-L238 HydrophobicContact CB-CD2 4.12Å; P233-L238 HydrophobicContact CG-CD2 3.9Å; P233-T256 HydrophobicContact CB-CG2 4.25Å; P233-T256 HydrophobicContact CG-CG2 4.05Å; P233-Y263 HydrophobicContact CG-CD1 3.76Å; P233-Y263 HydrophobicContact CG-CD2 3.85Å; P233-Y263 HydrophobicContact CG-CE1 4.27Å; P233-Y263 HydrophobicContact CG-CE2 4.33Å; P233-Y263 HydrophobicContact CG-CG 3.51Å |
| 234 | N | 96.9 | Very high | 96 | Very high | 55 Ų | 55 | 77.2 Ų | 77.2 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 136.2 | 167 | -173.4 | -32.7 | 0 | 0 | 0 | 109.2 | V236 M237 | N234-V236 PolarHBondContact O-N 3.39Å; N234-V236 PolarHBondContact OD1-N 3.34Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; N234-M237 HydrophobicContact CB-CG 4.43Å; N234-M237 WeakPolarHBondContact O-CG 3.41Å; N234-M237 PolarHBondContact O-N 3.09Å |
| 235 | H | 97.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 78 Ų | 78 | 62% | 0.616 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -55.9 | -26.9 | -180 | 70.8 | -88 | 0 | 0 | 0 | 113.8 | L238 | H235-L238 HydrophobicContact CB-CD1 4.41Å; H235-L238 WeakPolarHBondContact O-CB 3.41Å; H235-L238 WeakPolarHBondContact O-CG 3.43Å; H235-L238 PolarHBondContact O-N 3.2Å |
| 236 | V | 97.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 33% | 0.327 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -71.3 | -26.4 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 113.3 | H211 N234 L238 H240 | H211-V236 HydrophobicContact CB-CG1 4.46Å; N234-V236 PolarHBondContact O-N 3.39Å; N234-V236 PolarHBondContact OD1-N 3.34Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-H240 PolarHBondContact O-CD2 2.98Å; V236-H240 PolarHBondContact O-NE2 2.76Å |
| 237 | M | 96.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 82.8 Ų | 82.8 | 2% | 0.015 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -85.8 | -4.8 | 178.4 | 62.2 | 153.4 | 63.3 | 0 | 0 | 113.7 | L212 Q214 I216 P233 N234 H240 | L212-M237 HydrophobicContact CD2-CB 4.46Å; Q214-M237 HydrophobicContact CB-CE 4.5Å; Q214-M237 WeakPolarHBondContact O-CE 3.38Å; I216-M237 HydrophobicContact CB-CE 4.46Å; I216-M237 HydrophobicContact CB-SD 4.2Å; I216-M237 HydrophobicContact CG2-SD 4.42Å; P233-M237 HydrophobicContact CB-CG 4.14Å; P233-M237 HydrophobicContact CB-SD 3.65Å; N234-M237 HydrophobicContact CB-CG 4.43Å; N234-M237 WeakPolarHBondContact O-CG 3.41Å; N234-M237 PolarHBondContact O-N 3.09Å; M237-H240 PolarHBondContact O-N 3.45Å |
| 238 | L | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 83.2 Ų | 83.2 | 6% | 0.063 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 146.4 | -179 | -58.9 | 176.4 | 0 | 0 | 0 | 110.6 | P233 H235 V236 H240 T256 R258 Y263 | P233-L238 HydrophobicContact CB-CD2 4.12Å; P233-L238 HydrophobicContact CG-CD2 3.9Å; H235-L238 HydrophobicContact CB-CD1 4.41Å; H235-L238 WeakPolarHBondContact O-CB 3.41Å; H235-L238 WeakPolarHBondContact O-CG 3.43Å; H235-L238 PolarHBondContact O-N 3.2Å; V236-L238 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-CD2 3.1Å; L238-H240 PolarHBondContact O-N 3.18Å; L238-H240 VanDerWaalsContact O-N 3.1Å; L238-T256 WeakPolarHBondContact CA-O 3.48Å; L238-T256 HydrophobicContact CD2-CG2 3.59Å; L238-R258 HydrophobicContact CD1-CB 4.14Å; L238-Y263 HydrophobicContact CD1-CD1 4.11Å; L238-Y263 HydrophobicContact CD1-CE1 3.87Å; L238-Y263 HydrophobicContact CD2-CD1 3.98Å; L238-Y263 HydrophobicContact CD2-CE1 4.47Å |
| 239 | N | 97.1 | Very high | 96.2 | Very high | 118 Ų | 118 | 83.4 Ų | 83.4 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 4.3 | -176.2 | -40.5 | -41 | 0 | 0 | 0 | 115 | T256 H257 | N239-T256 PolarHBondContact N-O 3Å; N239-H257 PolarHBondContact OD1-CD2 2.94Å |
| 240 | H | 97.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 80.9 Ų | 80.9 | 38% | 0.375 | 44% | 0.441 | S | S | . | . | trans | -82.6 | 138.9 | 169.1 | -73 | -90.7 | 0 | 0 | 0 | 111 | L212 V236 M237 L238 Y242 | L212-H240 HydrophobicContact CD2-CB 4.44Å; V236-H240 PolarHBondContact O-CD2 2.98Å; V236-H240 PolarHBondContact O-NE2 2.76Å; M237-H240 PolarHBondContact O-N 3.45Å; L238-H240 PolarHBondContact O-CD2 3.1Å; L238-H240 PolarHBondContact O-N 3.18Å; L238-H240 VanDerWaalsContact O-N 3.1Å; H240-Y242 HydrophobicContact CB-CE2 4.25Å | ||
| 241 | L | 97.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 80.6 Ų | 80.6 | 63% | 0.634 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.1 | 177.8 | -173.3 | 71.3 | 0 | 0 | 0 | 110.6 | L253 | L241-L253 HydrophobicContact CD1-CB 4.2Å; L241-L253 HydrophobicContact CD1-CD2 4.45Å; L241-L253 HydrophobicContact CD2-CD2 4.4Å |
| 242 | Y | 97.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 79 Ų | 79 | 13% | 0.125 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132 | 170.2 | -66.5 | -83.5 | 0 | 0 | 0 | 109.2 | L212 V215 H240 S254 | L212-Y242 VanDerWaalsContact O-CE1 3.3Å; L212-Y242 WeakPolarHBondContact O-CE1 3.49Å; L212-Y242 PolarHBondContact O-OH 3.39Å; V215-Y242 HydrophobicContact CB-CD1 4.46Å; V215-Y242 HydrophobicContact CB-CE1 4.42Å; V215-Y242 HydrophobicContact CG1-CD1 4.07Å; V215-Y242 HydrophobicContact CG1-CE1 4.45Å; V215-Y242 HydrophobicContact CG1-CG 4.43Å; V215-Y242 HydrophobicContact CG2-CD1 3.84Å; V215-Y242 HydrophobicContact CG2-CE1 3.78Å; H240-Y242 HydrophobicContact CB-CE2 4.25Å; Y242-S254 PolarHBondContact N-O 3.08Å; Y242-S254 PolarHBondContact O-N 2.84Å; Y242-S254 VanDerWaalsContact O-O 3.12Å; Y242-S254 PolarHBondContact O-OG 3.19Å; Y242-S254 VanDerWaalsContact O-OG 3.08Å |
| 243 | A | 96.9 | Very high | 96.5 | Very high | 67 Ų | 67 | 74 Ų | 74 | 55% | 0.554 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V252 L253 | A243-V252 WeakPolarHBondContact CA-O 3.45Å; A243-L253 HydrophobicContact CB-CD2 3.7Å |
| 244 | L | 95.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 155.6 | 164.3 | -65.4 | 175.7 | 0 | 0 | 0 | 109.8 | I246 V252 | L244-I246 PolarHBondContact O-N 3.08Å; L244-V252 HydrophobicContact CB-CB 4.29Å; L244-V252 HydrophobicContact CD1-CB 4.27Å; L244-V252 HydrophobicContact CD1-CG1 4.26Å; L244-V252 PolarHBondContact N-O 3.38Å; L244-V252 VanDerWaalsContact N-O 3.1Å |
| 245 | S | 95.9 | Very high | 96.6 | Very high | 118 Ų | 118 | 72.2 Ų | 72.2 | 83% | 0.825 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 129.8 | 168.4 | -60.8 | 0 | 0 | 0 | 0 | 110 | K247 | S245-K247 PolarHBondContact O-N 2.88Š|
| 246 | I | 95.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 133.9 | 179.3 | -65.7 | 159.6 | 0 | 0 | 0 | 109.5 | L244 M251 I272 | L244-I246 PolarHBondContact O-N 3.08Å; I246-M251 HydrophobicContact CD1-CE 4.17Å; I246-M251 HydrophobicContact CG1-CB 4.42Å; I246-M251 HydrophobicContact CG1-CG 4.36Å; I246-I272 HydrophobicContact CB-CD1 4.32Å; I246-I272 HydrophobicContact CD1-CD1 3.67Å; I246-I272 HydrophobicContact CG1-CD1 3.9Å; I246-I272 HydrophobicContact CG2-CD1 3.45Å; I246-I272 VanDerWaalsContact CG2-CD1 3.45Å |
| 247 | K | 93.8 | Very high | 96.7 | Very high | 145 Ų | 145 | 67.6 Ų | 67.6 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | B | Isolated β-bridge | trans | -145.2 | 147.4 | 177.4 | -157.9 | -163.5 | 166.8 | -155 | 0 | 109.7 | S245 S249 V250 | S245-K247 PolarHBondContact O-N 2.88Å; K247-S249 PolarHBondContact O-N 2.88Å; K247-S249 VanDerWaalsContact O-N 3.13Å; K247-V250 PolarHBondContact N-O 2.9Å; K247-V250 PolarHBondContact O-N 2.97Å |
| 248 | D | 94.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 74.8 Ų | 74.8 | 70% | 0.695 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.8 | 172.4 | -49.9 | -39.5 | 0 | 0 | 0 | 113 | V250 | D248-V250 PolarHBondContact O-N 2.83Š|
| 249 | S | 94.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 81.6 Ų | 81.6 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 20.4 | -174.4 | -57.9 | 0 | 0 | 0 | 0 | 116.1 | K247 P271 I272 | K247-S249 PolarHBondContact O-N 2.88Å; K247-S249 VanDerWaalsContact O-N 3.13Å; S249-P271 WeakPolarHBondContact O-CA 3.47Å; S249-I272 PolarHBondContact O-N 3.11Å |
| 250 | V | 96.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.279 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.4 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | K247 D248 V252 Y269 | K247-V250 PolarHBondContact N-O 2.9Å; K247-V250 PolarHBondContact O-N 2.97Å; D248-V250 PolarHBondContact O-N 2.83Å; V250-V252 HydrophobicContact CG1-CG2 4.38Å; V250-Y269 HydrophobicContact CG1-CD1 4.08Å |
| 251 | M | 96.7 | Very high | 96.8 | Very high | 65 Ų | 65 | 89.1 Ų | 89.1 | 32% | 0.32 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.2 | 166.9 | -171 | -177.1 | -69.2 | 0 | 0 | 109.4 | I246 L253 K270 I272 | I246-M251 HydrophobicContact CD1-CE 4.17Å; I246-M251 HydrophobicContact CG1-CB 4.42Å; I246-M251 HydrophobicContact CG1-CG 4.36Å; M251-L253 HydrophobicContact CG-CD2 3.99Å; M251-L253 HydrophobicContact CG-CG 4.02Å; M251-L253 HydrophobicContact SD-CD1 3.93Å; M251-L253 HydrophobicContact SD-CD2 3.89Å; M251-L253 HydrophobicContact SD-CG 3.93Å; M251-K270 PolarHBondContact N-O 3.06Å; M251-K270 PolarHBondContact O-N 3.01Å; M251-I272 HydrophobicContact CB-CD1 4.09Å; M251-I272 HydrophobicContact CB-CG1 4.1Å; M251-I272 HydrophobicContact CE-CD1 4.19Å |
| 252 | V | 97.7 | Very high | 96.8 | Very high | 20 Ų | 20 | 90.7 Ų | 90.7 | 12% | 0.121 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.4 | 174.2 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | A243 L244 V250 L268 Y269 | A243-V252 WeakPolarHBondContact CA-O 3.45Å; L244-V252 HydrophobicContact CB-CB 4.29Å; L244-V252 HydrophobicContact CD1-CB 4.27Å; L244-V252 HydrophobicContact CD1-CG1 4.26Å; L244-V252 PolarHBondContact N-O 3.38Å; L244-V252 VanDerWaalsContact N-O 3.1Å; V250-V252 HydrophobicContact CG1-CG2 4.38Å; V252-L268 WeakPolarHBondContact CA-O 3.41Å; V252-Y269 HydrophobicContact CB-CD1 4.43Å; V252-Y269 HydrophobicContact CB-CE1 4.29Å; V252-Y269 HydrophobicContact CG1-CD1 4.18Å; V252-Y269 HydrophobicContact CG1-CD2 4.39Å; V252-Y269 HydrophobicContact CG1-CE1 3.79Å; V252-Y269 HydrophobicContact CG1-CE2 4.02Å; V252-Y269 HydrophobicContact CG1-CG 4.45Å; V252-Y269 HydrophobicContact CG2-CD1 3.55Å; V252-Y269 HydrophobicContact CG2-CE1 3.46Å; V252-Y269 VanDerWaalsContact CG2-CE1 3.46Å; V252-Y269 HydrophobicContact CG2-CG 4.39Å |
| 253 | L | 97.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 93 Ų | 93 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 148.6 | 178.6 | -61.4 | -178.2 | 0 | 0 | 0 | 110 | L241 A243 M251 L267 L268 | L241-L253 HydrophobicContact CD1-CB 4.2Å; L241-L253 HydrophobicContact CD1-CD2 4.45Å; L241-L253 HydrophobicContact CD2-CD2 4.4Å; A243-L253 HydrophobicContact CB-CD2 3.7Å; M251-L253 HydrophobicContact CG-CD2 3.99Å; M251-L253 HydrophobicContact CG-CG 4.02Å; M251-L253 HydrophobicContact SD-CD1 3.93Å; M251-L253 HydrophobicContact SD-CD2 3.89Å; M251-L253 HydrophobicContact SD-CG 3.93Å; L253-L267 CarbonylContact O-C 3.55Å; L253-L267 WeakPolarHBondContact O-CA 3.43Å; L253-L268 PolarHBondContact N-O 2.91Å; L253-L268 PolarHBondContact O-N 2.92Å |
| 254 | S | 97.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 93.6 Ų | 93.6 | 11% | 0.105 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 150.8 | 174.5 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | Y242 T266 | Y242-S254 PolarHBondContact N-O 3.08Å; Y242-S254 PolarHBondContact O-N 2.84Å; Y242-S254 VanDerWaalsContact O-O 3.12Å; Y242-S254 PolarHBondContact O-OG 3.19Å; Y242-S254 VanDerWaalsContact O-OG 3.08Å; S254-T266 WeakPolarHBondContact CA-O 3.19Å; S254-T266 WeakPolarHBondContact CB-O 3.46Å |
| 255 | A | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 89.7 Ų | 89.7 | 12% | 0.116 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 142.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T266 | A255-T266 PolarHBondContact N-O 3.41Å; A255-T266 PolarHBondContact O-N 3.44Å; A255-T266 VanDerWaalsContact O-N 3.08Å |
| 256 | T | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.7 | 177.3 | -49.2 | 0 | 0 | 0 | 0 | 109.7 | P233 L238 N239 V264 T265 | P233-T256 HydrophobicContact CB-CG2 4.25Å; P233-T256 HydrophobicContact CG-CG2 4.05Å; L238-T256 WeakPolarHBondContact CA-O 3.48Å; L238-T256 HydrophobicContact CD2-CG2 3.59Å; N239-T256 PolarHBondContact N-O 3Å; T256-V264 WeakPolarHBondContact CA-O 3.39Å; T256-T265 WeakPolarHBondContact CG2-OG1 3.38Å; T256-T265 PolarHBondContact OG1-OG1 3.37Å; T256-T265 VanDerWaalsContact OG1-OG1 3.13Å |
| 257 | H | 98.2 | Very high | 97.3 | Very high | 89 Ų | 89 | 86.9 Ų | 86.9 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.5 | -179.6 | -64 | 95.7 | 0 | 0 | 0 | 111 | N239 Y263 V264 | N239-H257 PolarHBondContact OD1-CD2 2.94Å; H257-Y263 WeakPolarHBondContact O-CA 3.37Å; H257-V264 PolarHBondContact N-O 2.84Å; H257-V264 PolarHBondContact O-N 3.33Å |
| 258 | R | 98.2 | Very high | 97.5 | Very high | 155 Ų | 155 | 84.6 Ų | 84.6 | 59% | 0.585 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.8 | 174.7 | -177.8 | 178.7 | 66.2 | -140 | -0.3 | 110.6 | L238 K260 K262 Y263 | L238-R258 HydrophobicContact CD1-CB 4.14Å; R258-K260 WeakPolarHBondContact CG-O 3.43Å; R258-K262 CarbonylContact C-O 3.59Å; R258-K262 WeakPolarHBondContact CA-O 3.45Å; R258-Y263 HydrophobicContact CB-CD1 3.99Å; R258-Y263 HydrophobicContact CB-CE1 4.17Å; R258-Y263 HydrophobicContact CG-CD1 4.08Å; R258-Y263 HydrophobicContact CG-CE1 3.93Å |
| 259 | Y | 97.8 | Very high | 97.6 | Very high | 155 Ų | 155 | 85.3 Ų | 85.3 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.6 | 168.5 | -177.9 | -97.9 | 0 | 0 | 0 | 109.7 | K261 K262 | Y259-K261 PolarHBondContact O-N 2.79Å; Y259-K262 PolarHBondContact N-O 3.23Å; Y259-K262 PolarHBondContact O-N 2.92Å |
| 260 | K | 96.9 | Very high | 97.7 | Very high | 163 Ų | 163 | 87.3 Ų | 87.3 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -109.9 | -172.2 | -58.3 | 177.1 | 179.7 | 175.5 | 0 | 111.2 | R258 | R258-K260 WeakPolarHBondContact CG-O 3.43Š|
| 261 | K | 97.7 | Very high | 97.7 | Very high | 194 Ų | 194 | 89.8 Ų | 89.8 | 84% | 0.843 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 24 | 177.4 | -61.3 | -173.2 | 177.3 | -175.8 | 0 | 112.8 | Y259 | Y259-K261 PolarHBondContact O-N 2.79Š|
| 262 | K | 97.7 | Very high | 97.4 | Very high | 154 Ų | 154 | 93.7 Ų | 93.7 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155.6 | 179.3 | -62.6 | -64.4 | -177.7 | 180 | 0 | 109.9 | R258 Y259 | R258-K262 CarbonylContact C-O 3.59Å; R258-K262 WeakPolarHBondContact CA-O 3.45Å; Y259-K262 PolarHBondContact N-O 3.23Å; Y259-K262 PolarHBondContact O-N 2.92Å |
| 263 | Y | 98.4 | Very high | 97.4 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 32% | 0.318 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.3 | 178.4 | -49.3 | -77.1 | 0 | 0 | 0 | 109.3 | E232 P233 L238 H257 R258 | E232-Y263 HydrophobicContact CG-CD2 4.4Å; E232-Y263 HydrophobicContact CG-CE2 3.8Å; E232-Y263 WeakPolarHBondContact OE1-CE2 3.49Å; E232-Y263 PolarHBondContact OE1-OH 3.13Å; P233-Y263 HydrophobicContact CG-CD1 3.76Å; P233-Y263 HydrophobicContact CG-CD2 3.85Å; P233-Y263 HydrophobicContact CG-CE1 4.27Å; P233-Y263 HydrophobicContact CG-CE2 4.33Å; P233-Y263 HydrophobicContact CG-CG 3.51Å; L238-Y263 HydrophobicContact CD1-CD1 4.11Å; L238-Y263 HydrophobicContact CD1-CE1 3.87Å; L238-Y263 HydrophobicContact CD2-CD1 3.98Å; L238-Y263 HydrophobicContact CD2-CE1 4.47Å; H257-Y263 WeakPolarHBondContact O-CA 3.37Å; R258-Y263 HydrophobicContact CB-CD1 3.99Å; R258-Y263 HydrophobicContact CB-CE1 4.17Å; R258-Y263 HydrophobicContact CG-CD1 4.08Å; R258-Y263 HydrophobicContact CG-CE1 3.93Å |
| 264 | V | 98.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 100.2 Ų | 100.2 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.2 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | T256 H257 | T256-V264 WeakPolarHBondContact CA-O 3.39Å; H257-V264 PolarHBondContact N-O 2.84Å; H257-V264 PolarHBondContact O-N 3.33Å |
| 265 | T | 98.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 104.9 Ų | 104.9 | 17% | 0.166 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.5 | 172.6 | -52 | 0 | 0 | 0 | 0 | 108.4 | I216 L217 L230 T256 L267 | I216-T265 HydrophobicContact CG2-CG2 4.48Å; L217-T265 HydrophobicContact CD1-CG2 4.03Å; L217-T265 HydrophobicContact CD2-CG2 3.93Å; L217-T265 HydrophobicContact CG-CG2 4.07Å; L230-T265 HydrophobicContact CD1-CG2 4.35Å; L230-T265 WeakPolarHBondContact CD1-OG1 3.37Å; T256-T265 WeakPolarHBondContact CG2-OG1 3.38Å; T256-T265 PolarHBondContact OG1-OG1 3.37Å; T256-T265 VanDerWaalsContact OG1-OG1 3.13Å; T265-L267 HydrophobicContact CG2-CD1 4.3Å |
| 266 | T | 97.9 | Very high | 97.3 | Very high | 81 Ų | 81 | 110.2 Ų | 110.2 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.7 | 179.6 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | S254 A255 | S254-T266 WeakPolarHBondContact CA-O 3.19Å; S254-T266 WeakPolarHBondContact CB-O 3.46Å; A255-T266 PolarHBondContact N-O 3.41Å; A255-T266 PolarHBondContact O-N 3.44Å; A255-T266 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 117.1 Ų | 117.1 | 40% | 0.403 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.7 | 170.5 | -73.1 | 72.8 | 0 | 0 | 0 | 109.1 | L217 L253 T265 Y269 | L217-L267 HydrophobicContact CD1-CD1 3.96Å; L217-L267 HydrophobicContact CD1-CD2 4.36Å; L217-L267 HydrophobicContact CD1-CG 4.22Å; L217-L267 HydrophobicContact CD2-CD1 4.34Å; L253-L267 CarbonylContact O-C 3.55Å; L253-L267 WeakPolarHBondContact O-CA 3.43Å; T265-L267 HydrophobicContact CG2-CD1 4.3Å; L267-Y269 HydrophobicContact CB-CE2 4.17Å; L267-Y269 HydrophobicContact CD2-CE2 4.35Å |
| 268 | L | 97.7 | Very high | 97.2 | Very high | 98 Ų | 98 | 118.9 Ų | 118.9 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.8 | 175.4 | 175.9 | 64.4 | 0 | 0 | 0 | 109.3 | V252 L253 | V252-L268 WeakPolarHBondContact CA-O 3.41Å; L253-L268 PolarHBondContact N-O 2.91Å; L253-L268 PolarHBondContact O-N 2.92Å |
| 269 | Y | 97.6 | Very high | 97.1 | Very high | 144 Ų | 144 | 116.4 Ų | 116.4 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.3 | 170.3 | -69 | -103.8 | 0 | 0 | 0 | 108 | V250 V252 L267 | V250-Y269 HydrophobicContact CG1-CD1 4.08Å; V252-Y269 HydrophobicContact CB-CD1 4.43Å; V252-Y269 HydrophobicContact CB-CE1 4.29Å; V252-Y269 HydrophobicContact CG1-CD1 4.18Å; V252-Y269 HydrophobicContact CG1-CD2 4.39Å; V252-Y269 HydrophobicContact CG1-CE1 3.79Å; V252-Y269 HydrophobicContact CG1-CE2 4.02Å; V252-Y269 HydrophobicContact CG1-CG 4.45Å; V252-Y269 HydrophobicContact CG2-CD1 3.55Å; V252-Y269 HydrophobicContact CG2-CE1 3.46Å; V252-Y269 VanDerWaalsContact CG2-CE1 3.46Å; V252-Y269 HydrophobicContact CG2-CG 4.39Å; L267-Y269 HydrophobicContact CB-CE2 4.17Å; L267-Y269 HydrophobicContact CD2-CE2 4.35Å |
| 270 | K | 97 | Very high | 97 | Very high | 131 Ų | 131 | 113.4 Ų | 113.4 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 123.3 | -177.9 | -175.2 | 178.9 | 173 | -178.1 | 0 | 110.5 | M251 | M251-K270 PolarHBondContact N-O 3.06Å; M251-K270 PolarHBondContact O-N 3.01Å |
| 271 | P | 95.8 | Very high | 97 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 149.9 | 169.2 | -22.3 | 34.1 | 0 | 0 | 0 | 112.1 | S249 | S249-P271 WeakPolarHBondContact O-CA 3.47Å |
| 272 | I | 90.4 | Very high | 97 | Very high | 148 Ų | 148 | 101.5 Ų | 101.5 | 76% | 0.759 | 51% | 0.506 | S | S | * | . | trans | -103.1 | 0 | 177.5 | -53.1 | -179.6 | 0 | 0 | 0 | 109.8 | I246 S249 M251 | I246-I272 HydrophobicContact CB-CD1 4.32Å; I246-I272 HydrophobicContact CD1-CD1 3.67Å; I246-I272 HydrophobicContact CG1-CD1 3.9Å; I246-I272 HydrophobicContact CG2-CD1 3.45Å; I246-I272 VanDerWaalsContact CG2-CD1 3.45Å; S249-I272 PolarHBondContact O-N 3.11Å; M251-I272 HydrophobicContact CB-CD1 4.09Å; M251-I272 HydrophobicContact CB-CG1 4.1Å; M251-I272 HydrophobicContact CE-CD1 4.19Å |
Retrieved 272 of 272 residues in 74.3 ms
(Link to these results)