| 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 | 41 | Very low | 34.5 | Very low | 230 Ų | 230 | 160.2 Ų | 160.2 | 100% | 1.133 | 81% | 0.81 | S | S | * | * | 0 | 85.3 | 0 | -66.6 | -168.8 | 173.9 | 0 | 0 | 106 | |||||
| 2 | E | 32.6 | Very low | 34.6 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | 52.8 | 133.3 | 74.8 | -60.4 | -174.6 | 154.5 | 0 | 0 | 110.3 | |||||
| 3 | C | 30.7 | Very low | 34.1 | Very low | 99 Ų | 99 | 164.2 Ų | 164.2 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | cis | -176 | 131.7 | 8.6 | -115.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 4 | L | 33.2 | Very low | 33.8 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 64% | 0.644 | 81% | 0.81 | S | S | * | * | 77 | 123.3 | 111.2 | -90.6 | 159.2 | 0 | 0 | 0 | 119.2 | |||||
| 5 | R | 34.8 | Very low | 33.7 | Very low | 215 Ų | 215 | 155.9 Ų | 155.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 68 | 121.7 | 132 | -95.6 | 175.2 | -153.7 | 162.9 | 1.9 | 119.9 | ||||
| 6 | C | 30.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 157.1 Ų | 157.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 173.6 | 127.3 | 84.3 | -107.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 7 | L | 35.8 | Very low | 33.1 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 163.5 | 154.6 | -111.6 | 148.3 | 0 | 0 | 0 | 108.5 | R9 | L7-R9 HydrophobicContact CD2-CB 4.36Å; L7-R9 HydrophobicContact CD2-CG 4.44Å | ||
| 8 | P | 43 | Very low | 32.9 | Very low | 118 Ų | 118 | 159.2 Ų | 159.2 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -143.2 | 148.4 | 65.3 | 27.1 | -3 | 0 | 0 | 0 | 115.2 | |||||
| 9 | R | 31 | Very low | 32.7 | Very low | 211 Ų | 211 | 163.2 Ų | 163.2 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | 60.4 | 105.9 | 80.6 | -110.1 | -174 | -174.2 | -178.5 | 2.6 | 114.5 | L7 | L7-R9 HydrophobicContact CD2-CB 4.36Å; L7-R9 HydrophobicContact CD2-CG 4.44Å | |||
| 10 | L | 29.8 | Very low | 32.5 | Very low | 183 Ų | 183 | 159.3 Ų | 159.3 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -132.7 | 106.4 | 153.4 | -92.2 | 163.3 | 0 | 0 | 0 | 109.5 | ||||
| 11 | L | 37.8 | Very low | 32.3 | Very low | 137 Ų | 137 | 160 Ų | 160 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 147.8 | 167.8 | -131.1 | 116.1 | 0 | 0 | 0 | 107.6 | ||
| 12 | P | 35 | Very low | 31.7 | Very low | 125 Ų | 125 | 155 Ų | 155 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 131.6 | 156.1 | -3.1 | 22.1 | 0 | 0 | 0 | 110.2 | ||
| 13 | R | 28.8 | Very low | 31.6 | Very low | 247 Ų | 247 | 151.2 Ų | 151.2 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 137 | -176.4 | -150.9 | 176 | -177.3 | 164.2 | -1.1 | 109.3 | ||
| 14 | A | 29.9 | Very low | 31.7 | Very low | 84 Ų | 84 | 151 Ų | 151 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 177.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 15 | V | 31.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 99.1 | 124.5 | 166.5 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | Q | 30.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | cis | -163.3 | 142.4 | 22.8 | -134.7 | 149.3 | 15.8 | 0 | 0 | 112.7 | ||||
| 17 | S | 26.6 | Very low | 31.6 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | 36.7 | 123.6 | 128.7 | -163.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 18 | R | 30 | Very low | 31.6 | Very low | 253 Ų | 253 | 148.2 Ų | 148.2 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | -144.5 | 135.4 | 125.4 | -102.4 | -174.3 | -176.2 | -148.7 | 0.7 | 111.7 | |||||
| 19 | R | 30 | Very low | 31 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 152.3 | -177 | -83.5 | 174.8 | 165.7 | 167.2 | -5.5 | 113.6 | ||||
| 20 | A | 28.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | 67.6 | 122.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 21 | L | 28.8 | Very low | 30.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | -161.8 | 139.6 | 101.9 | -121.1 | 87.8 | 0 | 0 | 0 | 111.3 | |||||
| 22 | C | 27.7 | Very low | 30.3 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 86% | 0.858 | 83% | 0.832 | S | S | * | * | trans | -66.8 | 149.5 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 23 | A | 29.4 | Very low | 29.9 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -170.7 | 130.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | A | 33.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 25 | P | 32.7 | Very low | 29.7 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146 | -165.9 | 32.7 | -31.3 | 0 | 0 | 0 | 113.8 | ||
| 26 | L | 31.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 130.7 | 173 | -79 | 120.7 | 0 | 0 | 0 | 111.5 | ||
| 27 | S | 32.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -108.4 | 158.7 | 158.2 | -73.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | P | 37.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 143.6 | -159 | 33.5 | -32.8 | 0 | 0 | 0 | 113.2 | ||
| 29 | A | 29.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 130 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 30 | A | 29.7 | Very low | 30.1 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 143.6 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 31 | C | 27.2 | Very low | 30.2 | Very low | 136 Ų | 136 | 126 Ų | 126 | 92% | 0.919 | 82% | 0.823 | S | S | * | * | trans | -143.2 | 132.9 | 158 | -102.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 32 | C | 27.1 | Very low | 30.1 | Very low | 137 Ų | 137 | 123 Ų | 123 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 162.5 | -175.5 | -65.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 33 | G | 25.8 | Very low | 30.1 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | 140.8 | 106.2 | 123.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 34 | R | 26.8 | Very low | 30 | Very low | 248 Ų | 248 | 131.2 Ų | 131.2 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | 104.9 | 118.5 | 121 | -153.2 | 166.6 | -166 | 171.7 | 4.1 | 120.2 | |||||
| 35 | A | 27.8 | Very low | 29.7 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | trans | 76.3 | 104.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 36 | T | 28.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | 18.4 | 165.2 | 119.4 | 50.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 37 | P | 45.3 | Very low | 30.1 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | cis | -136.6 | -172.3 | -15.5 | 27.1 | -2.9 | 0 | 0 | 0 | 112.7 | ||||
| 38 | L | 28.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | 179.1 | 119.9 | 128 | -88.7 | 167.7 | 0 | 0 | 0 | 112.9 | |||||
| 39 | L | 29.2 | Very low | 30 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | 66.1 | 128.7 | 133.5 | -79.4 | 159.5 | 0 | 0 | 0 | 125.4 | ||||
| 40 | S | 27.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 85.4 | 135.9 | 145.6 | 89.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 41 | G | 28.6 | Very low | 29.7 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -161.6 | 165.3 | 14.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 42 | S | 27 | Very low | 29.7 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -76.7 | 148.2 | -169 | -176.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 43 | R | 27.6 | Very low | 29.8 | Very low | 212 Ų | 212 | 124.6 Ų | 124.6 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | 171 | 125.6 | 109 | -92.2 | 174.2 | -179 | -176.8 | 2.3 | 115.3 | |||||
| 44 | K | 28.9 | Very low | 29.9 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 69.7 | 122 | 133.5 | -66.4 | -177.3 | 176.5 | -172.8 | 0 | 122.1 | ||||
| 45 | A | 25.9 | Very low | 30 | Very low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -87.2 | -161.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | P | 44.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -131.9 | 173.6 | -31.3 | 29.1 | -8.9 | 0 | 0 | 0 | 112.8 | ||||
| 47 | S | 28.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 168.4 | 146.9 | 134.8 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 48 | S | 28 | Very low | 29.3 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -84.5 | -165.9 | -168.1 | 52.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 49 | P | 39.9 | Very low | 29.3 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | cis | -135.1 | -175.1 | -38.7 | 29 | -6.6 | 0 | 0 | 0 | 114.6 | ||||
| 50 | C | 24.5 | Very low | 29.6 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | 79.7 | 114.2 | 152.2 | -68.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 51 | A | 28.3 | Very low | 29.9 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | 179.7 | 157.7 | 103.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 52 | A | 27.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 157.9 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 53 | G | 28.1 | Very low | 30.5 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 171.5 | 87.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 54 | N | 27.9 | Very low | 31 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -58.4 | 145.6 | 176.2 | -83.1 | -27.5 | 0 | 0 | 0 | 112.3 | ||||
| 55 | V | 29.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | 164.4 | 113.7 | 111.1 | 164.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 56 | H | 30.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 83% | 0.833 | 82% | 0.822 | S | S | * | * | trans | 54.8 | 90.7 | 147.5 | -68.1 | 48.6 | 0 | 0 | 0 | 119.4 | ||||
| 57 | R | 27.4 | Very low | 31.5 | Very low | 251 Ų | 251 | 134.8 Ų | 134.8 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -115 | 109.3 | 155 | -159.3 | 176.4 | -152.8 | 165.4 | 6.4 | 109.1 | ||||
| 58 | S | 29.5 | Very low | 31.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -58.9 | 138.9 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | T60 | S58-T60 PolarHBondContact O-N 3.48Š| ||
| 59 | R | 28.3 | Very low | 32.3 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 116.2 | -168.8 | -156.4 | 171.7 | -177.9 | 164.1 | -1.9 | 111.2 | ||||
| 60 | T | 34.4 | Very low | 32.4 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -83.2 | 103.8 | 163.4 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | S58 | S58-T60 PolarHBondContact O-N 3.48Š| ||
| 61 | S | 33.8 | Very low | 33.7 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 57% | 0.566 | 82% | 0.821 | S | S | * | * | trans | 175.8 | 98.2 | 157.5 | 43.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 62 | D | 29.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -172.6 | 56.5 | 135.7 | -84.7 | -18.6 | 0 | 0 | 0 | 108.8 | S64 | D62-S64 PolarHBondContact O-N 3.16Å; D62-S64 VanDerWaalsContact O-N 3.16Å | ||
| 63 | A | 39.3 | Very low | 37.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -85.3 | 58.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 64 | S | 38.5 | Very low | 39.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -162.8 | 36.6 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | D62 | D62-S64 PolarHBondContact O-N 3.16Å; D62-S64 VanDerWaalsContact O-N 3.16Å |
| 65 | Q | 37 | Very low | 42.2 | Very low | 184 Ų | 184 | 126.8 Ų | 126.8 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | trans | -167.2 | 60.8 | 167 | -112.1 | 168.9 | 62.9 | 0 | 0 | 111.2 | ||||
| 66 | A | 35.9 | Very low | 44.8 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 88% | 0.876 | 70% | 0.697 | S | S | * | * | trans | -117.1 | 68.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L68 | A66-L68 PolarHBondContact O-N 2.83Š| ||
| 67 | T | 35 | Very low | 47.5 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | -69.4 | 109.9 | 170.2 | -43 | 0 | 0 | 0 | 0 | 108.3 | A69 | T67-A69 PolarHBondContact O-N 3.05Š| ||
| 68 | L | 38.2 | Very low | 50.4 | Low | 170 Ų | 170 | 101.3 Ų | 101.3 | 89% | 0.89 | 61% | 0.613 | S | S | * | * | trans | 44.9 | 46.4 | 156.5 | -64.4 | 167.9 | 0 | 0 | 0 | 117.4 | A66 S70 | A66-L68 PolarHBondContact O-N 2.83Å; L68-S70 PolarHBondContact O-N 3.3Å | ||
| 69 | A | 34.9 | Very low | 53.2 | Low | 86 Ų | 86 | 99 Ų | 99 | 71% | 0.711 | 59% | 0.588 | S | S | * | * | trans | -82.7 | 108.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | T67 V71 | T67-A69 PolarHBondContact O-N 3.05Å; A69-V71 PolarHBondContact O-N 3.4Å | ||
| 70 | S | 43.1 | Very low | 56 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 80% | 0.797 | 55% | 0.546 | S | S | * | . | trans | -42.5 | 108.7 | 164.1 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | L68 A72 | L68-S70 PolarHBondContact O-N 3.3Å; S70-A72 PolarHBondContact O-N 2.85Å | ||
| 71 | V | 52.2 | Low | 58.5 | Low | 133 Ų | 133 | 83.9 Ų | 83.9 | 81% | 0.806 | 52% | 0.52 | S | S | * | . | trans | -61.4 | 105.1 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | A69 Q73 | A69-V71 PolarHBondContact O-N 3.4Å; V71-Q73 PolarHBondContact O-N 2.79Å | ||
| 72 | A | 59.6 | Low | 60.7 | Low | 48 Ų | 48 | 84.4 Ų | 84.4 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | trans | -57.5 | 113.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S70 V74 | S70-A72 PolarHBondContact O-N 2.85Å; A72-V74 PolarHBondContact O-N 2.89Å; A72-V74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | Q | 68.9 | Low | 62.9 | Low | 117 Ų | 117 | 81.8 Ų | 81.8 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.6 | 177.9 | -71.7 | 177.9 | -11.6 | 0 | 0 | 108.6 | V71 K93 | V71-Q73 PolarHBondContact O-N 2.79Å; Q73-K93 HydrophobicContact CB-CB 4.31Å; Q73-K93 HydrophobicContact CB-CD 4.33Å; Q73-K93 VanDerWaalsContact O-CB 3.28Å; Q73-K93 WeakPolarHBondContact O-CB 3.42Å; Q73-K93 PolarHBondContact O-N 2.83Å |
| 74 | V | 79.2 | Confident | 64.6 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.9 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | A72 E90 K92 | A72-V74 PolarHBondContact O-N 2.89Å; A72-V74 VanDerWaalsContact O-N 3.14Å; V74-E90 HydrophobicContact CG1-CB 3.94Å; V74-K92 HydrophobicContact CG2-CG 4.43Å |
| 75 | F | 81 | Confident | 66.7 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 7% | 0.066 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.1 | 171.9 | -71.2 | -63.1 | 0 | 0 | 0 | 109.5 | V77 E90 R91 K93 L96 D142 | F75-V77 HydrophobicContact CB-CG2 4.14Å; F75-E90 WeakPolarHBondContact O-CA 3.18Å; F75-R91 PolarHBondContact N-O 2.78Å; F75-R91 PolarHBondContact O-N 2.71Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CD2-CG 4.41Å; F75-K93 HydrophobicContact CE2-CB 3.79Å; F75-K93 HydrophobicContact CE2-CD 3.78Å; F75-K93 HydrophobicContact CE2-CG 3.72Å; F75-K93 HydrophobicContact CZ-CD 4.23Å; F75-L96 HydrophobicContact CB-CD2 4.47Å; F75-L96 HydrophobicContact CD2-CD2 3.9Å; F75-L96 HydrophobicContact CG-CD2 4.5Å; F75-D142 HydrophobicContact CD1-CB 4.46Å |
| 76 | A | 85 | Confident | 69 | Low | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | D142 Y143 | A76-D142 PolarHBondContact O-N 2.94Å; A76-Y143 HydrophobicContact CB-CE1 4.36Å |
| 77 | V | 86.4 | Confident | 71.4 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.8 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | F75 S88 Y89 L96 M139 I140 L141 | F75-V77 HydrophobicContact CB-CG2 4.14Å; V77-S88 WeakPolarHBondContact O-CA 3.15Å; V77-Y89 HydrophobicContact CB-CD2 4.06Å; V77-Y89 HydrophobicContact CB-CE2 3.7Å; V77-Y89 HydrophobicContact CG1-CE1 4.42Å; V77-Y89 HydrophobicContact CG1-CE2 4.02Å; V77-Y89 HydrophobicContact CG2-CE2 4.07Å; V77-Y89 PolarHBondContact N-O 3.04Å; V77-Y89 PolarHBondContact O-N 3.19Å; V77-Y89 VanDerWaalsContact O-O 3.13Å; V77-L96 HydrophobicContact CG2-CD1 4.24Å; V77-L96 HydrophobicContact CG2-CD2 4.35Å; V77-M139 HydrophobicContact CG1-CB 4Å; V77-M139 HydrophobicContact CG1-CG 4.25Å; V77-M139 HydrophobicContact CG1-SD 4.26Å; V77-I140 WeakPolarHBondContact CA-O 3.46Å; V77-L141 HydrophobicContact CB-CD2 4.33Å; V77-L141 HydrophobicContact CG1-CD2 4.06Å; V77-L141 HydrophobicContact CG2-CD2 3.66Å |
| 78 | T | 87.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113.2 | 170.9 | -52.3 | 0 | 0 | 0 | 0 | 108.1 | F80 V86 M139 I140 Y143 L152 F153 | T78-F80 HydrophobicContact CG2-CD2 4.43Å; T78-F80 HydrophobicContact CG2-CE2 3.5Å; T78-F80 HydrophobicContact CG2-CZ 3.6Å; T78-V86 HydrophobicContact CG2-CG1 3.43Å; T78-V86 VanDerWaalsContact CG2-CG1 3.43Å; T78-M139 WeakPolarHBondContact O-CA 3.34Å; T78-I140 PolarHBondContact N-O 3.07Å; T78-I140 PolarHBondContact O-N 3Å; T78-Y143 WeakPolarHBondContact OG1-CD1 3.49Å; T78-Y143 WeakPolarHBondContact OG1-CE1 3.19Å; T78-L152 HydrophobicContact CG2-CD2 4.42Å; T78-F153 HydrophobicContact CG2-CE1 4.46Å |
| 79 | K | 89.4 | Confident | 76.1 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.6 | -179.5 | -179.6 | -169.5 | -179.6 | -171.5 | 0 | 109.9 | T87 Y89 C137 L138 M139 | K79-T87 PolarHBondContact N-O 2.95Å; K79-T87 PolarHBondContact O-N 3.48Å; K79-T87 PolarHBondContact O-OG1 3.42Å; K79-Y89 HydrophobicContact CB-CE1 3.92Å; K79-Y89 HydrophobicContact CD-CE1 4.45Å; K79-C137 HydrophobicContact CD-CB 4.37Å; K79-C137 VanDerWaalsContact CE-CB 3.42Å; K79-C137 WeakPolarHBondContact CE-SG 3.31Å; K79-C137 HydrophobicContact CG-CB 3.97Å; K79-L138 CarbonylContact C-O 3.51Å; K79-L138 WeakPolarHBondContact CA-O 3.43Å; K79-M139 HydrophobicContact CB-CG 4.33Å; K79-M139 HydrophobicContact CD-CE 4.09Å; K79-M139 HydrophobicContact CG-CE 4.25Å; K79-M139 HydrophobicContact CG-CG 4.25Å |
| 80 | F | 87.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.7 | 173.9 | -61.8 | -96.2 | 0 | 0 | 0 | 109 | T78 N85 V86 C137 L138 I140 L152 L156 P157 L160 | T78-F80 HydrophobicContact CG2-CD2 4.43Å; T78-F80 HydrophobicContact CG2-CE2 3.5Å; T78-F80 HydrophobicContact CG2-CZ 3.6Å; F80-N85 WeakPolarHBondContact CA-O 3.49Å; F80-V86 HydrophobicContact CD1-CB 4.43Å; F80-V86 HydrophobicContact CD1-CG1 4.28Å; F80-V86 HydrophobicContact CD1-CG2 3.67Å; F80-V86 HydrophobicContact CE1-CB 4.14Å; F80-V86 HydrophobicContact CE1-CG1 3.69Å; F80-V86 HydrophobicContact CE1-CG2 3.4Å; F80-V86 VanDerWaalsContact CE1-CG2 3.4Å; F80-V86 HydrophobicContact CZ-CG1 3.78Å; F80-V86 HydrophobicContact CZ-CG2 4.33Å; F80-C137 CarbonylContact O-C 3.58Å; F80-C137 WeakPolarHBondContact O-CA 3.33Å; F80-C137 WeakPolarHBondContact O-CB 3.33Å; F80-L138 HydrophobicContact CB-CB 4.27Å; F80-L138 PolarHBondContact N-O 2.99Å; F80-L138 PolarHBondContact O-N 3.22Å; F80-I140 HydrophobicContact CE2-CD1 4.11Å; F80-L152 WeakPolarHBondContact CE1-O 3.46Å; F80-L152 HydrophobicContact CE2-CD1 3.56Å; F80-L152 HydrophobicContact CE2-CG 4.25Å; F80-L152 HydrophobicContact CZ-CD1 3.4Å; F80-L152 VanDerWaalsContact CZ-CD1 3.4Å; F80-L152 HydrophobicContact CZ-CD2 4.47Å; F80-L152 HydrophobicContact CZ-CG 3.65Å; F80-L156 HydrophobicContact CD1-CD2 4.13Å; F80-L156 HydrophobicContact CD1-CG 4.42Å; F80-L156 HydrophobicContact CD2-CD2 4.06Å; F80-L156 HydrophobicContact CE1-CD2 3.91Å; F80-L156 HydrophobicContact CE1-CG 4.39Å; F80-L156 HydrophobicContact CE2-CD2 3.86Å; F80-L156 HydrophobicContact CG-CD2 4.23Å; F80-L156 HydrophobicContact CZ-CD2 3.81Å; F80-P157 HydrophobicContact CD1-CG 4.45Å; F80-P157 HydrophobicContact CE1-CG 4.15Å; F80-L160 HydrophobicContact CB-CD1 3.57Å; F80-L160 HydrophobicContact CD1-CD1 4.02Å; F80-L160 HydrophobicContact CG-CD1 3.92Å |
| 81 | D | 86.8 | Confident | 80.5 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 170 | 174.8 | -146.7 | -17.8 | 0 | 0 | 0 | 111.4 | D83 G84 N85 | D81-D83 PolarHBondContact O-N 2.84Å; D81-G84 PolarHBondContact O-N 2.99Å; D81-N85 HydrophobicContact CB-CB 4.29Å; D81-N85 PolarHBondContact N-O 3.42Å |
| 82 | K | 79.7 | Confident | 82.1 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 40% | 0.404 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.5 | 175.8 | 58.9 | -169.6 | 166.4 | -166.5 | 0 | 115 | G84 E136 F173 | K82-G84 VanDerWaalsContact C-N 3.3Å; K82-E136 WeakPolarHBondContact CE-OE2 3.45Å; K82-E136 IonicContact NZ-OE2 3.28Å; K82-E136 PolarHBondContact NZ-OE2 3.06Å; K82-F173 HydrophobicContact CB-CD2 4.09Å; K82-F173 HydrophobicContact CB-CE2 4.5Å |
| 83 | D | 75.9 | Confident | 83.1 | Confident | 108 Ų | 108 | 63.1 Ų | 63.1 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.1 | 176.7 | -55.8 | -51.5 | 0 | 0 | 0 | 112.8 | D81 N85 | D81-D83 PolarHBondContact O-N 2.84Å; D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.89Å |
| 84 | G | 74.1 | Confident | 83.6 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | 78.9 | 6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D81 K82 V86 | D81-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact C-N 3.3Å; G84-V86 PolarHBondContact O-N 2.94Å | ||
| 85 | N | 83.2 | Confident | 83.8 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | trans | -67.8 | 130.8 | 177.3 | -70.2 | -38.5 | 0 | 0 | 0 | 111.3 | F80 D81 D83 | F80-N85 WeakPolarHBondContact CA-O 3.49Å; D81-N85 HydrophobicContact CB-CB 4.29Å; D81-N85 PolarHBondContact N-O 3.42Å; D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.89Å | ||
| 86 | V | 85.8 | Confident | 83.9 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.8 | -175.9 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | T78 F80 G84 F153 P157 | T78-V86 HydrophobicContact CG2-CG1 3.43Å; T78-V86 VanDerWaalsContact CG2-CG1 3.43Å; F80-V86 HydrophobicContact CD1-CB 4.43Å; F80-V86 HydrophobicContact CD1-CG1 4.28Å; F80-V86 HydrophobicContact CD1-CG2 3.67Å; F80-V86 HydrophobicContact CE1-CB 4.14Å; F80-V86 HydrophobicContact CE1-CG1 3.69Å; F80-V86 HydrophobicContact CE1-CG2 3.4Å; F80-V86 VanDerWaalsContact CE1-CG2 3.4Å; F80-V86 HydrophobicContact CZ-CG1 3.78Å; F80-V86 HydrophobicContact CZ-CG2 4.33Å; G84-V86 PolarHBondContact O-N 2.94Å; V86-F153 HydrophobicContact CG1-CD1 4.25Å; V86-F153 HydrophobicContact CG1-CE1 3.9Å; V86-P157 HydrophobicContact CG2-CG 4.05Å |
| 87 | T | 86.4 | Confident | 83.7 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.9 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | K79 | K79-T87 PolarHBondContact N-O 2.95Å; K79-T87 PolarHBondContact O-N 3.48Å; K79-T87 PolarHBondContact O-OG1 3.42Å |
| 88 | S | 85.4 | Confident | 83.5 | Confident | 87 Ų | 87 | 68 Ų | 68 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 129 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | V77 | V77-S88 WeakPolarHBondContact O-CA 3.15Å |
| 89 | Y | 86.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.8 | 176.4 | 58.5 | -96.8 | 0 | 0 | 0 | 111.7 | V77 K79 R91 M139 | V77-Y89 HydrophobicContact CB-CD2 4.06Å; V77-Y89 HydrophobicContact CB-CE2 3.7Å; V77-Y89 HydrophobicContact CG1-CE1 4.42Å; V77-Y89 HydrophobicContact CG1-CE2 4.02Å; V77-Y89 HydrophobicContact CG2-CE2 4.07Å; V77-Y89 PolarHBondContact N-O 3.04Å; V77-Y89 PolarHBondContact O-N 3.19Å; V77-Y89 VanDerWaalsContact O-O 3.13Å; K79-Y89 HydrophobicContact CB-CE1 3.92Å; K79-Y89 HydrophobicContact CD-CE1 4.45Å; Y89-R91 HydrophobicContact CD2-CB 4.38Å; Y89-R91 HydrophobicContact CD2-CG 3.53Å; Y89-R91 HydrophobicContact CE2-CB 4.34Å; Y89-R91 HydrophobicContact CE2-CG 3.54Å; Y89-M139 WeakPolarHBondContact OH-CE 3.36Å |
| 90 | E | 86.1 | Confident | 82.8 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.7 | 173.8 | -67.2 | -171.8 | 169.8 | 0 | 0 | 110.3 | V74 F75 | V74-E90 HydrophobicContact CG1-CB 3.94Å; F75-E90 WeakPolarHBondContact O-CA 3.18Å |
| 91 | R | 83.9 | Confident | 82.5 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.5 | 176.6 | -81.7 | -70.2 | -175 | -177.7 | 0.3 | 111.6 | F75 Y89 E95 | F75-R91 PolarHBondContact N-O 2.78Å; F75-R91 PolarHBondContact O-N 2.71Å; Y89-R91 HydrophobicContact CD2-CB 4.38Å; Y89-R91 HydrophobicContact CD2-CG 3.53Å; Y89-R91 HydrophobicContact CE2-CB 4.34Å; Y89-R91 HydrophobicContact CE2-CG 3.54Å; R91-E95 WeakPolarHBondContact CD-OE2 3.4Å; R91-E95 IonicContact CZ-OE2 3.81Å; R91-E95 IonicContact NH1-OE2 2.83Å; R91-E95 PolarHBondContact NH1-OE2 2.87Å |
| 92 | K | 85.7 | Confident | 82.4 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 141.7 | 169.9 | -66.8 | 179.3 | -172 | 161.9 | 0 | 109.1 | V74 T94 E95 L96 | V74-K92 HydrophobicContact CG2-CG 4.43Å; K92-T94 PolarHBondContact O-N 3.05Å; K92-T94 VanDerWaalsContact O-N 3.07Å; K92-E95 HydrophobicContact CB-CG 4.25Å; K92-E95 PolarHBondContact O-N 2.93Å; K92-L96 PolarHBondContact O-N 2.85Å |
| 93 | K | 80.3 | Confident | 82.4 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -50.2 | -36.2 | 174.1 | 179.9 | 166.5 | -164.6 | 168.3 | 0 | 112.5 | Q73 F75 L96 Y97 L107 | Q73-K93 HydrophobicContact CB-CB 4.31Å; Q73-K93 HydrophobicContact CB-CD 4.33Å; Q73-K93 VanDerWaalsContact O-CB 3.28Å; Q73-K93 WeakPolarHBondContact O-CB 3.42Å; Q73-K93 PolarHBondContact O-N 2.83Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CD2-CG 4.41Å; F75-K93 HydrophobicContact CE2-CB 3.79Å; F75-K93 HydrophobicContact CE2-CD 3.78Å; F75-K93 HydrophobicContact CE2-CG 3.72Å; F75-K93 HydrophobicContact CZ-CD 4.23Å; K93-L96 PolarHBondContact O-N 2.91Å; K93-Y97 WeakPolarHBondContact O-CD1 3.42Å; K93-Y97 PolarHBondContact O-N 3.48Å; K93-L107 WeakPolarHBondContact CE-O 3.28Å; K93-L107 PolarHBondContact NZ-O 3.41Å |
| 94 | T | 80.1 | Confident | 82.5 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 178.2 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | K92 Y97 H98 | K92-T94 PolarHBondContact O-N 3.05Å; K92-T94 VanDerWaalsContact O-N 3.07Å; T94-Y97 HydrophobicContact CG2-CE1 3.97Å; T94-Y97 WeakPolarHBondContact CG2-OH 3.18Å; T94-Y97 WeakPolarHBondContact O-CE2 3.45Å; T94-H98 PolarHBondContact O-CD2 3.48Å |
| 95 | E | 82 | Confident | 82.7 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 178 | -65.4 | 170.5 | -156.9 | 0 | 0 | 110.3 | R91 K92 H98 E99 | R91-E95 WeakPolarHBondContact CD-OE2 3.4Å; R91-E95 IonicContact CZ-OE2 3.81Å; R91-E95 IonicContact NH1-OE2 2.83Å; R91-E95 PolarHBondContact NH1-OE2 2.87Å; K92-E95 HydrophobicContact CB-CG 4.25Å; K92-E95 PolarHBondContact O-N 2.93Å; E95-H98 PolarHBondContact O-N 3.46Å; E95-E99 WeakPolarHBondContact O-CB 3.32Å; E95-E99 PolarHBondContact O-N 2.85Å |
| 96 | L | 82.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | -177.2 | -170.2 | 67.7 | 0 | 0 | 0 | 113 | F75 V77 K92 K93 H98 E99 L100 L107 L141 | F75-L96 HydrophobicContact CB-CD2 4.47Å; F75-L96 HydrophobicContact CD2-CD2 3.9Å; F75-L96 HydrophobicContact CG-CD2 4.5Å; V77-L96 HydrophobicContact CG2-CD1 4.24Å; V77-L96 HydrophobicContact CG2-CD2 4.35Å; K92-L96 PolarHBondContact O-N 2.85Å; K93-L96 PolarHBondContact O-N 2.91Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.99Å; L96-E99 PolarHBondContact O-N 3.47Å; L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CD2-CD1 4.4Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.14Å; L96-L107 HydrophobicContact CD2-CD1 4.04Å; L96-L107 HydrophobicContact CG-CD1 4.32Å; L96-L141 HydrophobicContact CD2-CD1 4.45Å; L96-L141 HydrophobicContact CD2-CD2 3.66Å |
| 97 | Y | 80.8 | Confident | 82 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.4 | -28.8 | 177.7 | 67.1 | -116.2 | 0 | 0 | 0 | 112.5 | K93 T94 A101 L102 A104 | K93-Y97 WeakPolarHBondContact O-CD1 3.42Å; K93-Y97 PolarHBondContact O-N 3.48Å; T94-Y97 HydrophobicContact CG2-CE1 3.97Å; T94-Y97 WeakPolarHBondContact CG2-OH 3.18Å; T94-Y97 WeakPolarHBondContact O-CE2 3.45Å; Y97-A101 CarbonylContact O-C 3.56Å; Y97-A101 WeakPolarHBondContact O-CA 3.27Å; Y97-A101 PolarHBondContact O-N 2.87Å; Y97-L102 PolarHBondContact O-N 3.2Å; Y97-A104 HydrophobicContact CD1-CB 4.34Å; Y97-A104 HydrophobicContact CE1-CB 4.31Å |
| 98 | H | 83.3 | Confident | 81.5 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 66% | 0.657 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.1 | -44.1 | 174 | -79.4 | -59.1 | 0 | 0 | 0 | 111.4 | T94 E95 L96 L100 A101 | T94-H98 PolarHBondContact O-CD2 3.48Å; E95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact C-N 3.32Å; H98-A101 PolarHBondContact O-N 3.29Å |
| 99 | E | 82.3 | Confident | 81 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.6 | -176 | 178.7 | 176.8 | 0 | 0 | 111.6 | E95 L96 A101 R121 | E95-E99 WeakPolarHBondContact O-CB 3.32Å; E95-E99 PolarHBondContact O-N 2.85Å; L96-E99 PolarHBondContact O-N 3.47Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.91Å; E99-R121 PolarHBondContact O-NH2 3.05Å |
| 100 | L | 81.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.6 | 179.4 | -59.2 | 175.1 | 0 | 0 | 0 | 113.9 | L96 H98 L102 R121 V132 M139 | L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CD2-CD1 4.4Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.14Å; H98-L100 VanDerWaalsContact C-N 3.32Å; L100-L102 HydrophobicContact CB-CB 4.39Å; L100-L102 HydrophobicContact CB-CD1 3.85Å; L100-L102 HydrophobicContact CB-CG 3.8Å; L100-L102 HydrophobicContact CD1-CD1 4.05Å; L100-L102 WeakPolarHBondContact O-CG 3.2Å; L100-L102 PolarHBondContact O-N 3.29Å; L100-R121 VanDerWaalsContact CA-NH1 3.29Å; L100-R121 WeakPolarHBondContact O-CD 3.29Å; L100-R121 PolarHBondContact O-NE 3.36Å; L100-R121 PolarHBondContact O-NH2 2.82Å; L100-V132 HydrophobicContact CD1-CB 4.49Å; L100-V132 HydrophobicContact CD1-CG1 4.21Å; L100-V132 HydrophobicContact CD1-CG2 4.28Å; L100-M139 HydrophobicContact CD2-CE 4.34Å; L100-M139 HydrophobicContact CD2-SD 3.8Å |
| 101 | A | 81.5 | Confident | 80.1 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 30.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y97 H98 E99 N119 | Y97-A101 CarbonylContact O-C 3.56Å; Y97-A101 WeakPolarHBondContact O-CA 3.27Å; Y97-A101 PolarHBondContact O-N 2.87Å; H98-A101 PolarHBondContact O-N 3.29Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.91Å; A101-N119 PolarHBondContact O-ND2 2.91Å |
| 102 | L | 83.1 | Confident | 80 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | trans | -96 | 160.2 | -179.2 | -68.1 | 178.9 | 0 | 0 | 0 | 110.7 | Y97 L100 L107 R118 I123 | Y97-L102 PolarHBondContact O-N 3.2Å; L100-L102 HydrophobicContact CB-CB 4.39Å; L100-L102 HydrophobicContact CB-CD1 3.85Å; L100-L102 HydrophobicContact CB-CG 3.8Å; L100-L102 HydrophobicContact CD1-CD1 4.05Å; L100-L102 WeakPolarHBondContact O-CG 3.2Å; L100-L102 PolarHBondContact O-N 3.29Å; L102-L107 HydrophobicContact CD1-CD2 4.24Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; L102-R118 HydrophobicContact CD2-CB 3.98Å; L102-I123 HydrophobicContact CD1-CD1 3.68Å; L102-I123 HydrophobicContact CD1-CG1 4.1Å; L102-I123 HydrophobicContact CD2-CD1 3.78Å; L102-I123 HydrophobicContact CD2-CG1 4.48Å; L102-I123 HydrophobicContact CG-CD1 4.32Å | ||
| 103 | Q | 80.9 | Confident | 80.1 | Confident | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | trans | -83.8 | 150.3 | 173.2 | -57.5 | -170.7 | 13.9 | 0 | 0 | 110.4 | R105 D106 | Q103-R105 HydrophobicContact CB-CG 4.09Å; Q103-R105 PolarHBondContact O-N 3.4Å; Q103-D106 WeakPolarHBondContact CB-OD2 3.38Å; Q103-D106 PolarHBondContact N-OD2 2.98Å; Q103-D106 PolarHBondContact O-N 3.37Å | ||
| 104 | A | 76.4 | Confident | 80.5 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y97 R108 | Y97-A104 HydrophobicContact CD1-CB 4.34Å; Y97-A104 HydrophobicContact CE1-CB 4.31Å; A104-R108 WeakPolarHBondContact O-CG 3.24Å; A104-R108 PolarHBondContact O-NE 2.98Å |
| 105 | R | 79.1 | Confident | 80.9 | Confident | 162 Ų | 162 | 62.9 Ų | 62.9 | 61% | 0.611 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -30.1 | 174.7 | 78.8 | 178 | 97.2 | -176.5 | 9.1 | 112.8 | Q103 R108 | Q103-R105 HydrophobicContact CB-CG 4.09Å; Q103-R105 PolarHBondContact O-N 3.4Å; R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.43Å |
| 106 | D | 78.5 | Confident | 81.2 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -74.5 | -40.7 | -170.5 | -51.5 | -32.1 | 0 | 0 | 0 | 110.6 | Q103 R108 I123 | Q103-D106 WeakPolarHBondContact CB-OD2 3.38Å; Q103-D106 PolarHBondContact N-OD2 2.98Å; Q103-D106 PolarHBondContact O-N 3.37Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.15Å; D106-I123 HydrophobicContact CB-CD1 3.66Å |
| 107 | L | 75.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -81.3 | 18.9 | 172.5 | -60 | 178 | 0 | 0 | 0 | 113.6 | K93 L96 L102 F109 V132 L141 | K93-L107 WeakPolarHBondContact CE-O 3.28Å; K93-L107 PolarHBondContact NZ-O 3.41Å; L96-L107 HydrophobicContact CD2-CD1 4.04Å; L96-L107 HydrophobicContact CG-CD1 4.32Å; L102-L107 HydrophobicContact CD1-CD2 4.24Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.06Å; L107-F109 HydrophobicContact CD2-CZ 3.74Å; L107-V132 HydrophobicContact CD2-CG2 4.3Å; L107-L141 HydrophobicContact CD2-CD1 3.99Å |
| 108 | R | 76.5 | Confident | 81.7 | Confident | 150 Ų | 150 | 66.7 Ų | 66.7 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -82.8 | -25 | 168.9 | -66.9 | -177.6 | -179.2 | -168.5 | -4.1 | 111.7 | A104 R105 D106 Q110 | A104-R108 WeakPolarHBondContact O-CG 3.24Å; A104-R108 PolarHBondContact O-NE 2.98Å; R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.43Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.15Å; R108-Q110 HydrophobicContact CB-CG 4.17Å |
| 109 | F | 74.6 | Confident | 81.6 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | trans | 51.3 | 72.3 | 179.9 | -63.2 | -62.6 | 0 | 0 | 0 | 109.5 | L107 I123 R125 K130 L141 | L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.06Å; L107-F109 HydrophobicContact CD2-CZ 3.74Å; F109-I123 HydrophobicContact CE1-CG2 3.85Å; F109-I123 HydrophobicContact CZ-CG2 4.49Å; F109-R125 VanDerWaalsContact CB-CD 3.49Å; F109-R125 HydrophobicContact CD1-CB 3.93Å; F109-R125 HydrophobicContact CD1-CG 4.33Å; F109-R125 HydrophobicContact CE1-CB 4.42Å; F109-R125 PolarHBondContact O-NH1 2.89Å; F109-K130 HydrophobicContact CD1-CG 4.23Å; F109-K130 HydrophobicContact CD2-CD 3.74Å; F109-K130 HydrophobicContact CD2-CG 4.13Å; F109-K130 HydrophobicContact CE1-CB 4.18Å; F109-K130 HydrophobicContact CE1-CG 4.12Å; F109-K130 HydrophobicContact CE2-CB 4.22Å; F109-K130 HydrophobicContact CE2-CD 3.74Å; F109-K130 HydrophobicContact CE2-CG 4.04Å; F109-K130 HydrophobicContact CG-CD 4.24Å; F109-K130 HydrophobicContact CG-CG 4.23Å; F109-K130 HydrophobicContact CZ-CB 3.89Å; F109-K130 HydrophobicContact CZ-CD 4.24Å; F109-K130 HydrophobicContact CZ-CG 4.04Å; F109-L141 HydrophobicContact CE2-CD1 4.08Å; F109-L141 HydrophobicContact CZ-CD1 3.81Å | ||
| 110 | Q | 74.9 | Confident | 81.7 | Confident | 141 Ų | 141 | 63 Ų | 63 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | trans | -84 | -42.3 | -178 | -70.1 | -179.3 | -6.5 | 0 | 0 | 111.7 | R108 | R108-Q110 HydrophobicContact CB-CG 4.17Š| ||
| 111 | H | 78.9 | Confident | 82 | Confident | 129 Ų | 129 | 65.5 Ų | 65.5 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -85.8 | 142.3 | -179.8 | -59.2 | -72.1 | 0 | 0 | 0 | 111.8 | M113 R125 | H111-M113 VanDerWaalsContact C-N 3.33Å; H111-M113 WeakPolarHBondContact CB-O 3.39Å; H111-R125 VanDerWaalsContact O-CD 3.26Å; H111-R125 WeakPolarHBondContact O-CD 3.49Å; H111-R125 PolarHBondContact O-NH1 3.4Å |
| 112 | V | 81.2 | Confident | 82.4 | Confident | 80 Ų | 80 | 63 Ų | 63 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -65.5 | -37.9 | -176.6 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | E127 | V112-E127 PolarHBondContact O-N 3.45Š|
| 113 | M | 87.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.7 | 170.1 | -174 | 62.8 | 63.8 | 0 | 0 | 107.3 | H111 R125 M126 W185 I239 F240 S243 | H111-M113 VanDerWaalsContact C-N 3.33Å; H111-M113 WeakPolarHBondContact CB-O 3.39Å; M113-R125 CarbonylContact C-O 3.52Å; M113-R125 VanDerWaalsContact CA-O 3.3Å; M113-R125 WeakPolarHBondContact CA-O 3.34Å; M113-M126 HydrophobicContact CE-CB 3.88Å; M113-M126 HydrophobicContact CE-CG 3.82Å; M113-M126 HydrophobicContact SD-CB 4Å; M113-M126 HydrophobicContact SD-CG 3.42Å; M113-M126 WeakPolarHBondContact SD-CG 3.02Å; M113-W185 HydrophobicContact CE-CD2 4.24Å; M113-W185 HydrophobicContact CE-CZ2 3.73Å; M113-I239 HydrophobicContact CB-CG2 3.52Å; M113-I239 HydrophobicContact CG-CG2 4.38Å; M113-F240 HydrophobicContact CE-CB 4.3Å; M113-F240 HydrophobicContact CE-CD2 3.97Å; M113-F240 HydrophobicContact SD-CD2 4.15Å; M113-S243 VanDerWaalsContact CG-OG 3.31Å; M113-S243 WeakPolarHBondContact CG-OG 3.15Å |
| 114 | S | 88.2 | Confident | 83.3 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 133.5 | 171.6 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | I124 R125 | S114-I124 WeakPolarHBondContact O-CA 3.47Å; S114-R125 PolarHBondContact N-O 3.31Å; S114-R125 PolarHBondContact O-N 3.24Å |
| 115 | I | 89.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.4 | 168.9 | -63.8 | 168.6 | 0 | 0 | 0 | 105.3 | I122 I124 M126 I244 L247 L257 | I115-I122 HydrophobicContact CG2-CG2 4.14Å; I115-I124 HydrophobicContact CG1-CD1 4.44Å; I115-I124 HydrophobicContact CG1-CG1 4.18Å; I115-I124 HydrophobicContact CG1-CG2 4.17Å; I115-I124 HydrophobicContact CG2-CG1 4.27Å; I115-M126 HydrophobicContact CD1-CE 4.42Å; I115-I244 HydrophobicContact CD1-CD1 3.96Å; I115-L247 HydrophobicContact CB-CD1 3.81Å; I115-L247 HydrophobicContact CB-CD2 4.32Å; I115-L247 HydrophobicContact CD1-CD1 3.74Å; I115-L247 HydrophobicContact CG1-CD1 4.37Å; I115-L247 HydrophobicContact CG2-CD1 3.73Å; I115-L247 HydrophobicContact CG2-CD2 4.15Å; I115-L257 HydrophobicContact CG2-CD2 4.04Å |
| 116 | T | 88.3 | Confident | 84.3 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 31% | 0.307 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.6 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | I123 | T116-I123 PolarHBondContact N-O 3.44Å; T116-I123 PolarHBondContact O-N 3.11Å |
| 117 | T | 87.5 | Confident | 84.5 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.7 | 176.6 | 40.8 | 0 | 0 | 0 | 0 | 108.9 | R121 I122 E256 L257 | T117-R121 WeakPolarHBondContact CA-O 3.41Å; T117-I122 HydrophobicContact CG2-CG1 4.13Å; T117-E256 VanDerWaalsContact CB-OE2 3.28Å; T117-E256 WeakPolarHBondContact CB-OE2 3.49Å; T117-E256 HydrophobicContact CG2-CB 3.87Å; T117-E256 WeakPolarHBondContact CG2-O 3.48Å; T117-E256 WeakPolarHBondContact OG1-CB 3.29Å; T117-E256 PolarHBondContact OG1-OE2 3.13Å; T117-L257 HydrophobicContact CG2-CD2 3.59Å; T117-L257 HydrophobicContact CG2-CG 3.96Å |
| 118 | R | 85.5 | Confident | 84.8 | Confident | 143 Ų | 143 | 54.7 Ų | 54.7 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 129.1 | 175.5 | -68.8 | -62 | 178.2 | -169 | -6.8 | 110.2 | L102 N120 R121 | L102-R118 HydrophobicContact CD2-CB 3.98Å; R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 2.88Å; R118-R121 PolarHBondContact N-O 3.14Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.24Å |
| 119 | N | 82.1 | Confident | 85.2 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 47.6 | 172.6 | -60.5 | -22.5 | 0 | 0 | 0 | 113.3 | A101 R121 | A101-N119 PolarHBondContact O-ND2 2.91Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.31Å |
| 120 | N | 83.6 | Confident | 85.9 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 36.3 | -177.9 | -155.7 | 43.1 | 0 | 0 | 0 | 114 | R118 L259 S263 | R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 2.88Å; N120-L259 VanDerWaalsContact C-CD2 3.47Å; N120-L259 WeakPolarHBondContact OD1-CD2 3.43Å; N120-L259 PolarHBondContact OD1-O 2.95Å; N120-S263 PolarHBondContact ND2-OG 3.48Å |
| 121 | R | 87.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 42 Ų | 42 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.8 | 175.9 | -55.6 | 177.6 | -167.1 | -132 | 20.2 | 109.2 | E99 L100 T117 R118 N119 V132 I133 T134 | E99-R121 PolarHBondContact O-NH2 3.05Å; L100-R121 VanDerWaalsContact CA-NH1 3.29Å; L100-R121 WeakPolarHBondContact O-CD 3.29Å; L100-R121 PolarHBondContact O-NE 3.36Å; L100-R121 PolarHBondContact O-NH2 2.82Å; T117-R121 WeakPolarHBondContact CA-O 3.41Å; R118-R121 PolarHBondContact N-O 3.14Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.24Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.31Å; R121-V132 HydrophobicContact CB-CG1 4.4Å; R121-I133 WeakPolarHBondContact CA-O 3.16Å; R121-T134 HydrophobicContact CG-CG2 4.16Å |
| 122 | I | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.4 | 177.6 | -51.5 | 153.6 | 0 | 0 | 0 | 107.7 | I115 T117 I124 V132 I133 E174 I178 L257 L259 | I115-I122 HydrophobicContact CG2-CG2 4.14Å; T117-I122 HydrophobicContact CG2-CG1 4.13Å; I122-I124 HydrophobicContact CG2-CD1 4.11Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I122-V132 CarbonylContact O-C 3.58Å; I122-V132 VanDerWaalsContact O-CA 3.29Å; I122-V132 WeakPolarHBondContact O-CA 3.3Å; I122-I133 HydrophobicContact CB-CB 4.05Å; I122-I133 HydrophobicContact CB-CD1 4.31Å; I122-I133 HydrophobicContact CB-CG1 4.29Å; I122-I133 HydrophobicContact CD1-CB 4.21Å; I122-I133 HydrophobicContact CD1-CD1 4.26Å; I122-I133 HydrophobicContact CD1-CG2 4.41Å; I122-I133 HydrophobicContact CG2-CD1 4.48Å; I122-I133 PolarHBondContact N-O 3.12Å; I122-I133 PolarHBondContact O-N 3.06Å; I122-E174 HydrophobicContact CD1-CB 4.23Å; I122-I178 HydrophobicContact CD1-CD1 3.75Å; I122-I178 HydrophobicContact CD1-CG1 4.32Å; I122-L257 HydrophobicContact CD1-CD2 4.16Å; I122-L257 HydrophobicContact CG1-CD2 4Å; I122-L257 HydrophobicContact CG2-CD2 3.81Å; I122-L259 HydrophobicContact CD1-CD1 3.87Å; I122-L259 HydrophobicContact CD1-CD2 4.42Å; I122-L259 HydrophobicContact CD1-CG 3.95Å; I122-L259 HydrophobicContact CG1-CD1 3.99Å; I122-L259 HydrophobicContact CG1-CD2 4.05Å; I122-L259 HydrophobicContact CG1-CG 4.1Å |
| 123 | I | 90.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.7 | 176.5 | -53.3 | 170.7 | 0 | 0 | 0 | 106.7 | L102 D106 F109 T116 | L102-I123 HydrophobicContact CD1-CD1 3.68Å; L102-I123 HydrophobicContact CD1-CG1 4.1Å; L102-I123 HydrophobicContact CD2-CD1 3.78Å; L102-I123 HydrophobicContact CD2-CG1 4.48Å; L102-I123 HydrophobicContact CG-CD1 4.32Å; D106-I123 HydrophobicContact CB-CD1 3.66Å; F109-I123 HydrophobicContact CE1-CG2 3.85Å; F109-I123 HydrophobicContact CZ-CG2 4.49Å; T116-I123 PolarHBondContact N-O 3.44Å; T116-I123 PolarHBondContact O-N 3.11Å |
| 124 | I | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.7 | -179.8 | -59 | -169.8 | 0 | 0 | 0 | 108.8 | S114 I115 I122 M126 A131 I133 I178 L181 | S114-I124 WeakPolarHBondContact O-CA 3.47Å; I115-I124 HydrophobicContact CG1-CD1 4.44Å; I115-I124 HydrophobicContact CG1-CG1 4.18Å; I115-I124 HydrophobicContact CG1-CG2 4.17Å; I115-I124 HydrophobicContact CG2-CG1 4.27Å; I122-I124 HydrophobicContact CG2-CD1 4.11Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I124-M126 HydrophobicContact CG2-CE 3.61Å; I124-M126 HydrophobicContact CG2-CG 3.87Å; I124-M126 HydrophobicContact CG2-SD 3.86Å; I124-A131 HydrophobicContact CB-CB 4.37Å; I124-A131 PolarHBondContact N-O 2.89Å; I124-A131 PolarHBondContact O-N 2.92Å; I124-I133 HydrophobicContact CD1-CD1 3.77Å; I124-I133 HydrophobicContact CG1-CD1 4.46Å; I124-I178 HydrophobicContact CD1-CG1 4.33Å; I124-L181 HydrophobicContact CD1-CD1 3.9Å |
| 125 | R | 89.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.9 | 164.9 | 176.9 | 161.9 | -176 | -151 | 19.2 | 109.8 | F109 H111 M113 S114 L129 | F109-R125 VanDerWaalsContact CB-CD 3.49Å; F109-R125 HydrophobicContact CD1-CB 3.93Å; F109-R125 HydrophobicContact CD1-CG 4.33Å; F109-R125 HydrophobicContact CE1-CB 4.42Å; F109-R125 PolarHBondContact O-NH1 2.89Å; H111-R125 VanDerWaalsContact O-CD 3.26Å; H111-R125 WeakPolarHBondContact O-CD 3.49Å; H111-R125 PolarHBondContact O-NH1 3.4Å; M113-R125 CarbonylContact C-O 3.52Å; M113-R125 VanDerWaalsContact CA-O 3.3Å; M113-R125 WeakPolarHBondContact CA-O 3.34Å; S114-R125 PolarHBondContact N-O 3.31Å; S114-R125 PolarHBondContact O-N 3.24Å; R125-L129 WeakPolarHBondContact CA-O 3.37Å |
| 126 | M | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 88.4 | 175.7 | -68.2 | 163.5 | 174.5 | 0 | 0 | 108.8 | M113 I115 I124 Y128 L129 L181 L182 W185 F240 | M113-M126 HydrophobicContact CE-CB 3.88Å; M113-M126 HydrophobicContact CE-CG 3.82Å; M113-M126 HydrophobicContact SD-CB 4Å; M113-M126 HydrophobicContact SD-CG 3.42Å; M113-M126 WeakPolarHBondContact SD-CG 3.02Å; I115-M126 HydrophobicContact CD1-CE 4.42Å; I124-M126 HydrophobicContact CG2-CE 3.61Å; I124-M126 HydrophobicContact CG2-CG 3.87Å; I124-M126 HydrophobicContact CG2-SD 3.86Å; M126-Y128 PolarHBondContact O-N 3.44Å; M126-L129 HydrophobicContact CB-CB 4.21Å; M126-L129 HydrophobicContact CB-CD2 4.39Å; M126-L129 PolarHBondContact N-O 3.23Å; M126-L129 PolarHBondContact O-N 3.17Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; M126-L181 HydrophobicContact CE-CB 4.44Å; M126-L181 HydrophobicContact SD-CB 4.39Å; M126-L182 HydrophobicContact CE-CD2 3.53Å; M126-L182 HydrophobicContact CE-CG 4.34Å; M126-W185 HydrophobicContact CB-CD2 4.13Å; M126-W185 HydrophobicContact CB-CE3 4.02Å; M126-W185 HydrophobicContact CB-CZ3 4.47Å; M126-W185 HydrophobicContact CG-CG 4.49Å; M126-W185 HydrophobicContact SD-CB 3.95Å; M126-W185 HydrophobicContact SD-CG 4.31Å; M126-F240 HydrophobicContact CE-CE2 4.48Å |
| 127 | E | 83.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -89.8 | -177.4 | -167.9 | -173.6 | -178.8 | 0 | 0 | 112.7 | V112 W185 K192 | V112-E127 PolarHBondContact O-N 3.45Å; E127-W185 HydrophobicContact CB-CH2 3.5Å; E127-W185 HydrophobicContact CB-CZ2 4.46Å; E127-W185 HydrophobicContact CB-CZ3 3.89Å; E127-W185 HydrophobicContact CG-CH2 4.39Å; E127-W185 VanDerWaalsContact OE2-CH2 3.27Å; E127-W185 WeakPolarHBondContact OE2-CH2 3.14Å; E127-K192 IonicContact OE2-NZ 2.68Å; E127-K192 PolarHBondContact OE2-NZ 2.91Å |
| 128 | Y | 80.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 34 Ų | 34 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -19.8 | 178.7 | 50.9 | -97.1 | 0 | 0 | 0 | 114 | M126 N145 Y184 W185 T188 | M126-Y128 PolarHBondContact O-N 3.44Å; Y128-N145 WeakPolarHBondContact CB-ND2 3.19Å; Y128-N145 WeakPolarHBondContact CD2-ND2 3.28Å; Y128-N145 VanDerWaalsContact CG-ND2 3.32Å; Y128-Y184 AromaticContact CE2-CE1 3.93Å; Y128-Y184 HydrophobicContact CE2-CE1 3.93Å; Y128-Y184 WeakPolarHBondContact CE2-OH 3.45Å; Y128-Y184 PolarHBondContact OH-OH 3.36Å; Y128-W185 AromaticContact CE1-CZ3 3.97Å; Y128-W185 HydrophobicContact CE1-CZ3 3.97Å; Y128-T188 WeakPolarHBondContact OH-CG2 3.49Å |
| 129 | L | 86.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.5 | 177.8 | 172.2 | 63.6 | 0 | 0 | 0 | 109.5 | R125 M126 I140 L148 L181 Y184 | R125-L129 WeakPolarHBondContact CA-O 3.37Å; M126-L129 HydrophobicContact CB-CB 4.21Å; M126-L129 HydrophobicContact CB-CD2 4.39Å; M126-L129 PolarHBondContact N-O 3.23Å; M126-L129 PolarHBondContact O-N 3.17Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; L129-I140 HydrophobicContact CD1-CD1 4.39Å; L129-I140 HydrophobicContact CD1-CG1 4.38Å; L129-I140 HydrophobicContact CD1-CG2 4.1Å; L129-L148 HydrophobicContact CD1-CD1 4.05Å; L129-L148 HydrophobicContact CD1-CD2 4.27Å; L129-L181 HydrophobicContact CD1-CD2 4.3Å; L129-L181 HydrophobicContact CD2-CD2 3.72Å; L129-L181 HydrophobicContact CG-CD2 4.39Å; L129-Y184 HydrophobicContact CD2-CD1 3.91Å; L129-Y184 HydrophobicContact CD2-CE1 4.27Å |
| 130 | K | 88.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 22.6 Ų | 22.6 | 19% | 0.187 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.3 | 174.3 | -65.9 | 164.2 | -173.6 | 162 | 0 | 107.6 | F109 L141 | F109-K130 HydrophobicContact CD1-CG 4.23Å; F109-K130 HydrophobicContact CD2-CD 3.74Å; F109-K130 HydrophobicContact CD2-CG 4.13Å; F109-K130 HydrophobicContact CE1-CB 4.18Å; F109-K130 HydrophobicContact CE1-CG 4.12Å; F109-K130 HydrophobicContact CE2-CB 4.22Å; F109-K130 HydrophobicContact CE2-CD 3.74Å; F109-K130 HydrophobicContact CE2-CG 4.04Å; F109-K130 HydrophobicContact CG-CD 4.24Å; F109-K130 HydrophobicContact CG-CG 4.23Å; F109-K130 HydrophobicContact CZ-CB 3.89Å; F109-K130 HydrophobicContact CZ-CD 4.24Å; F109-K130 HydrophobicContact CZ-CG 4.04Å; K130-L141 HydrophobicContact CB-CB 3.97Å; K130-L141 HydrophobicContact CB-CD1 4.49Å; K130-L141 PolarHBondContact O-N 3.02Å |
| 131 | A | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I124 L138 M139 I140 L181 | I124-A131 HydrophobicContact CB-CB 4.37Å; I124-A131 PolarHBondContact N-O 2.89Å; I124-A131 PolarHBondContact O-N 2.92Å; A131-L138 HydrophobicContact CB-CD1 4.07Å; A131-M139 CarbonylContact C-O 3.54Å; A131-M139 VanDerWaalsContact CA-O 3.3Å; A131-M139 WeakPolarHBondContact CA-O 3.29Å; A131-I140 HydrophobicContact CB-CG1 4.35Å; A131-L181 HydrophobicContact CB-CD1 3.91Å; A131-L181 HydrophobicContact CB-CD2 4.2Å |
| 132 | V | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | L100 L107 R121 I122 M139 L141 | L100-V132 HydrophobicContact CD1-CB 4.49Å; L100-V132 HydrophobicContact CD1-CG1 4.21Å; L100-V132 HydrophobicContact CD1-CG2 4.28Å; L107-V132 HydrophobicContact CD2-CG2 4.3Å; R121-V132 HydrophobicContact CB-CG1 4.4Å; I122-V132 CarbonylContact O-C 3.58Å; I122-V132 VanDerWaalsContact O-CA 3.29Å; I122-V132 WeakPolarHBondContact O-CA 3.3Å; V132-M139 HydrophobicContact CB-CB 4.46Å; V132-M139 PolarHBondContact N-O 3.04Å; V132-M139 PolarHBondContact O-N 2.81Å; V132-L141 HydrophobicContact CG2-CD1 4.18Å |
| 133 | I | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131 | -179.7 | -43.8 | -179.5 | 0 | 0 | 0 | 108.1 | R121 I122 I124 L138 F173 E174 A177 I178 L181 | R121-I133 WeakPolarHBondContact CA-O 3.16Å; I122-I133 HydrophobicContact CB-CB 4.05Å; I122-I133 HydrophobicContact CB-CD1 4.31Å; I122-I133 HydrophobicContact CB-CG1 4.29Å; I122-I133 HydrophobicContact CD1-CB 4.21Å; I122-I133 HydrophobicContact CD1-CD1 4.26Å; I122-I133 HydrophobicContact CD1-CG2 4.41Å; I122-I133 HydrophobicContact CG2-CD1 4.48Å; I122-I133 PolarHBondContact N-O 3.12Å; I122-I133 PolarHBondContact O-N 3.06Å; I124-I133 HydrophobicContact CD1-CD1 3.77Å; I124-I133 HydrophobicContact CG1-CD1 4.46Å; I133-L138 HydrophobicContact CG1-CD1 3.82Å; I133-F173 HydrophobicContact CG2-CE1 4.36Å; I133-E174 HydrophobicContact CG2-CB 4.28Å; I133-A177 HydrophobicContact CD1-CB 4.03Å; I133-A177 HydrophobicContact CG1-CB 4.47Å; I133-A177 HydrophobicContact CG2-CB 3.83Å; I133-I178 HydrophobicContact CD1-CG1 3.68Å; I133-L181 HydrophobicContact CD1-CD1 3.87Å; I133-L181 HydrophobicContact CG1-CD1 4.36Å |
| 134 | T | 87.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | trans | -118.1 | 167.3 | 166.1 | 74.2 | 0 | 0 | 0 | 0 | 108.7 | R121 E136 C137 F173 | R121-T134 HydrophobicContact CG-CG2 4.16Å; T134-E136 PolarHBondContact O-N 3.43Å; T134-C137 PolarHBondContact N-O 2.84Å; T134-C137 PolarHBondContact O-N 2.7Å; T134-C137 PolarHBondContact OG1-N 3.01Å; T134-C137 VanDerWaalsContact OG1-N 3.12Å; T134-C137 PolarHBondContact OG1-O 2.81Å; T134-C137 VanDerWaalsContact OG1-O 3.06Å; T134-C137 PolarHBondContact OG1-SG 2.8Å; T134-F173 WeakPolarHBondContact O-CD1 3.47Å | ||
| 135 | P | 83.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 16% | 0.156 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -57.9 | -23.7 | 179.7 | -23.5 | 31.6 | 0 | 0 | 0 | 114.5 | F173 L259 | P135-F173 WeakPolarHBondContact O-CB 2.77Å; P135-L259 HydrophobicContact CG-CB 3.91Å; P135-L259 HydrophobicContact CG-CD1 4.39Å |
| 136 | E | 83.3 | Confident | 82.6 | Confident | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -112.5 | -19.2 | -173.5 | -61 | -67.2 | 147.2 | 0 | 0 | 112.9 | K82 T134 | K82-E136 WeakPolarHBondContact CE-OE2 3.45Å; K82-E136 IonicContact NZ-OE2 3.28Å; K82-E136 PolarHBondContact NZ-OE2 3.06Å; T134-E136 PolarHBondContact O-N 3.43Å |
| 137 | C | 87.9 | Confident | 81.6 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.054 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 150.5 | -176.1 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | K79 F80 T134 | K79-C137 HydrophobicContact CD-CB 4.37Å; K79-C137 VanDerWaalsContact CE-CB 3.42Å; K79-C137 WeakPolarHBondContact CE-SG 3.31Å; K79-C137 HydrophobicContact CG-CB 3.97Å; F80-C137 CarbonylContact O-C 3.58Å; F80-C137 WeakPolarHBondContact O-CA 3.33Å; F80-C137 WeakPolarHBondContact O-CB 3.33Å; T134-C137 PolarHBondContact N-O 2.84Å; T134-C137 PolarHBondContact O-N 2.7Å; T134-C137 PolarHBondContact OG1-N 3.01Å; T134-C137 VanDerWaalsContact OG1-N 3.12Å; T134-C137 PolarHBondContact OG1-O 2.81Å; T134-C137 VanDerWaalsContact OG1-O 3.06Å; T134-C137 PolarHBondContact OG1-SG 2.8Å |
| 138 | L | 90.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128 | 172.5 | 168.2 | 67.7 | 0 | 0 | 0 | 108.7 | K79 F80 A131 I133 I140 L156 L160 F173 L181 | K79-L138 CarbonylContact C-O 3.51Å; K79-L138 WeakPolarHBondContact CA-O 3.43Å; F80-L138 HydrophobicContact CB-CB 4.27Å; F80-L138 PolarHBondContact N-O 2.99Å; F80-L138 PolarHBondContact O-N 3.22Å; A131-L138 HydrophobicContact CB-CD1 4.07Å; I133-L138 HydrophobicContact CG1-CD1 3.82Å; L138-I140 HydrophobicContact CD2-CD1 4.3Å; L138-I140 HydrophobicContact CG-CG1 4.41Å; L138-L156 HydrophobicContact CD2-CD1 4.01Å; L138-L156 HydrophobicContact CD2-CD2 3.96Å; L138-L156 HydrophobicContact CD2-CG 4.45Å; L138-L160 HydrophobicContact CD2-CD1 4.17Å; L138-L160 HydrophobicContact CD2-CD2 4.41Å; L138-F173 HydrophobicContact CB-CE1 4.1Å; L138-F173 HydrophobicContact CB-CZ 3.83Å; L138-L181 HydrophobicContact CD1-CD1 4.02Å |
| 139 | M | 89.4 | Confident | 81 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119 | 178.1 | -65 | -174 | 175.8 | 0 | 0 | 110.4 | V77 T78 K79 Y89 L100 A131 V132 | V77-M139 HydrophobicContact CG1-CB 4Å; V77-M139 HydrophobicContact CG1-CG 4.25Å; V77-M139 HydrophobicContact CG1-SD 4.26Å; T78-M139 WeakPolarHBondContact O-CA 3.34Å; K79-M139 HydrophobicContact CB-CG 4.33Å; K79-M139 HydrophobicContact CD-CE 4.09Å; K79-M139 HydrophobicContact CG-CE 4.25Å; K79-M139 HydrophobicContact CG-CG 4.25Å; Y89-M139 WeakPolarHBondContact OH-CE 3.36Å; L100-M139 HydrophobicContact CD2-CE 4.34Å; L100-M139 HydrophobicContact CD2-SD 3.8Å; A131-M139 CarbonylContact C-O 3.54Å; A131-M139 VanDerWaalsContact CA-O 3.3Å; A131-M139 WeakPolarHBondContact CA-O 3.29Å; V132-M139 HydrophobicContact CB-CB 4.46Å; V132-M139 PolarHBondContact N-O 3.04Å; V132-M139 PolarHBondContact O-N 2.81Å |
| 140 | I | 89.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.1 | 174.9 | -68.4 | 170.2 | 0 | 0 | 0 | 109.1 | V77 T78 F80 L129 A131 L138 L148 W151 L152 L156 | V77-I140 WeakPolarHBondContact CA-O 3.46Å; T78-I140 PolarHBondContact N-O 3.07Å; T78-I140 PolarHBondContact O-N 3Å; F80-I140 HydrophobicContact CE2-CD1 4.11Å; L129-I140 HydrophobicContact CD1-CD1 4.39Å; L129-I140 HydrophobicContact CD1-CG1 4.38Å; L129-I140 HydrophobicContact CD1-CG2 4.1Å; A131-I140 HydrophobicContact CB-CG1 4.35Å; L138-I140 HydrophobicContact CD2-CD1 4.3Å; L138-I140 HydrophobicContact CG-CG1 4.41Å; I140-L148 HydrophobicContact CG2-CD2 4.28Å; I140-W151 HydrophobicContact CD1-CZ3 4.39Å; I140-L152 HydrophobicContact CB-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD1 3.2Å; I140-L152 HydrophobicContact CG1-CD1 4.27Å; I140-L152 HydrophobicContact CG2-CD1 4.32Å; I140-L156 HydrophobicContact CD1-CD2 3.65Å |
| 141 | L | 85.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.7 | -174.7 | -55 | 172.9 | 0 | 0 | 0 | 110.1 | V77 L96 L107 F109 K130 V132 | V77-L141 HydrophobicContact CB-CD2 4.33Å; V77-L141 HydrophobicContact CG1-CD2 4.06Å; V77-L141 HydrophobicContact CG2-CD2 3.66Å; L96-L141 HydrophobicContact CD2-CD1 4.45Å; L96-L141 HydrophobicContact CD2-CD2 3.66Å; L107-L141 HydrophobicContact CD2-CD1 3.99Å; F109-L141 HydrophobicContact CE2-CD1 4.08Å; F109-L141 HydrophobicContact CZ-CD1 3.81Å; K130-L141 HydrophobicContact CB-CB 3.97Å; K130-L141 HydrophobicContact CB-CD1 4.49Å; K130-L141 PolarHBondContact O-N 3.02Å; V132-L141 HydrophobicContact CG2-CD1 4.18Å |
| 142 | D | 78.1 | Confident | 79.9 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | trans | 56.6 | 63.7 | 170.2 | -160.1 | 23.6 | 0 | 0 | 0 | 113.4 | F75 A76 R144 | F75-D142 HydrophobicContact CD1-CB 4.46Å; A76-D142 PolarHBondContact O-N 2.94Å; D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 VanDerWaalsContact OD1-CD 3.27Å; D142-R144 WeakPolarHBondContact OD1-CD 3.38Å; D142-R144 VanDerWaalsContact OD1-CG 3.32Å; D142-R144 WeakPolarHBondContact OD1-CG 3.37Å; D142-R144 IonicContact OD1-CZ 2.71Å; D142-R144 IonicContact OD1-NE 3.98Å; D142-R144 PolarHBondContact OD1-NE 2.72Å | ||
| 143 | Y | 68.6 | Low | 79.3 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | trans | -76.1 | 21.6 | -172.9 | 63.2 | -93.7 | 0 | 0 | 0 | 115.7 | A76 T78 N145 E149 L152 | A76-Y143 HydrophobicContact CB-CE1 4.36Å; T78-Y143 WeakPolarHBondContact OG1-CD1 3.49Å; T78-Y143 WeakPolarHBondContact OG1-CE1 3.19Å; Y143-N145 PolarHBondContact O-N 3.38Å; Y143-E149 HydrophobicContact CD2-CG 3.74Å; Y143-E149 HydrophobicContact CE2-CG 4.12Å; Y143-L152 HydrophobicContact CD1-CD2 4.48Å; Y143-L152 HydrophobicContact CD2-CD2 4.31Å; Y143-L152 HydrophobicContact CG-CD2 4.01Å | ||
| 144 | R | 65.9 | Low | 78.7 | Confident | 190 Ų | 190 | 63.7 Ų | 63.7 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | trans | -62.6 | 9.6 | -165.9 | -63.4 | -177.8 | -171.4 | -137.9 | -7.4 | 116.9 | D142 | D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 VanDerWaalsContact OD1-CD 3.27Å; D142-R144 WeakPolarHBondContact OD1-CD 3.38Å; D142-R144 VanDerWaalsContact OD1-CG 3.32Å; D142-R144 WeakPolarHBondContact OD1-CG 3.37Å; D142-R144 IonicContact OD1-CZ 2.71Å; D142-R144 IonicContact OD1-NE 3.98Å; D142-R144 PolarHBondContact OD1-NE 2.72Å | ||
| 145 | N | 64.9 | Low | 78.3 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | trans | -95.6 | 124.2 | 174.1 | -71.3 | -21.8 | 0 | 0 | 0 | 110.6 | Y128 Y143 N147 L148 E149 | Y128-N145 WeakPolarHBondContact CB-ND2 3.19Å; Y128-N145 WeakPolarHBondContact CD2-ND2 3.28Å; Y128-N145 VanDerWaalsContact CG-ND2 3.32Å; Y143-N145 PolarHBondContact O-N 3.38Å; N145-N147 PolarHBondContact O-N 2.98Å; N145-N147 VanDerWaalsContact O-N 3.17Å; N145-L148 HydrophobicContact CB-CB 4.22Å; N145-L148 WeakPolarHBondContact O-CA 3.42Å; N145-L148 WeakPolarHBondContact O-CB 3.45Å; N145-L148 PolarHBondContact O-N 2.93Å; N145-E149 PolarHBondContact O-N 3.17Å | ||
| 146 | L | 60.4 | Low | 78.3 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -54 | -36.7 | 179.8 | -68.5 | 161.3 | 0 | 0 | 0 | 113.4 | L148 E149 | L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.79Å; L146-E149 PolarHBondContact O-N 2.84Å |
| 147 | N | 68.4 | Low | 78.2 | Confident | 122 Ų | 122 | 62 Ų | 62 | 65% | 0.652 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.3 | -28.4 | 178.6 | -62.8 | -12.4 | 0 | 0 | 0 | 112.3 | N145 | N145-N147 PolarHBondContact O-N 2.98Å; N145-N147 VanDerWaalsContact O-N 3.17Å |
| 148 | L | 73.6 | Confident | 77.8 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76 | -42.3 | 178 | -173 | 66.3 | 0 | 0 | 0 | 110 | L129 I140 N145 L146 Q150 W151 L152 Y184 | L129-L148 HydrophobicContact CD1-CD1 4.05Å; L129-L148 HydrophobicContact CD1-CD2 4.27Å; I140-L148 HydrophobicContact CG2-CD2 4.28Å; N145-L148 HydrophobicContact CB-CB 4.22Å; N145-L148 WeakPolarHBondContact O-CA 3.42Å; N145-L148 WeakPolarHBondContact O-CB 3.45Å; N145-L148 PolarHBondContact O-N 2.93Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.79Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.14Å; L148-W151 HydrophobicContact CD1-CE3 3.94Å; L148-W151 HydrophobicContact CD1-CZ3 4.21Å; L148-W151 PolarHBondContact O-N 2.95Å; L148-L152 WeakPolarHBondContact O-CB 3.18Å; L148-L152 PolarHBondContact O-N 3.47Å; L148-Y184 HydrophobicContact CD1-CE1 3.78Å; L148-Y184 HydrophobicContact CD1-CE2 4.31Å |
| 149 | E | 76.3 | Confident | 77.3 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.5 | -45.5 | 179.8 | -70.2 | -177.5 | 173.1 | 0 | 0 | 113 | Y143 N145 L146 W151 L152 F153 | Y143-E149 HydrophobicContact CD2-CG 3.74Å; Y143-E149 HydrophobicContact CE2-CG 4.12Å; N145-E149 PolarHBondContact O-N 3.17Å; L146-E149 PolarHBondContact O-N 2.84Å; E149-W151 PolarHBondContact O-N 3.41Å; E149-L152 PolarHBondContact O-N 2.89Å; E149-F153 HydrophobicContact CB-CD2 4.42Å; E149-F153 HydrophobicContact CB-CE2 4.42Å; E149-F153 HydrophobicContact CG-CE2 4.5Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.34Å; E149-F153 VanDerWaalsContact O-N 3.14Å |
| 150 | Q | 79.3 | Confident | 76.8 | Confident | 152 Ų | 152 | 66 Ų | 66 | 71% | 0.71 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | -179.2 | -72 | -175.2 | -8.4 | 0 | 0 | 112.5 | L148 R154 | L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.14Å; Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 PolarHBondContact O-N 3.32Å |
| 151 | W | 82.9 | Confident | 75.9 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.1 | -43.3 | 177.4 | 173.2 | 80.3 | 0 | 0 | 0 | 111.6 | I140 L148 E149 F153 R154 E155 L156 A180 L181 Y184 | I140-W151 HydrophobicContact CD1-CZ3 4.39Å; L148-W151 HydrophobicContact CD1-CE3 3.94Å; L148-W151 HydrophobicContact CD1-CZ3 4.21Å; L148-W151 PolarHBondContact O-N 2.95Å; E149-W151 PolarHBondContact O-N 3.41Å; W151-F153 VanDerWaalsContact C-N 3.33Å; W151-F153 PolarHBondContact O-N 3.42Å; W151-R154 PolarHBondContact O-N 3.42Å; W151-E155 HydrophobicContact CG-CB 4.4Å; W151-E155 PolarHBondContact O-N 3.33Å; W151-L156 HydrophobicContact CE3-CB 4.49Å; W151-L156 HydrophobicContact CH2-CB 4.15Å; W151-L156 HydrophobicContact CH2-CD1 3.61Å; W151-L156 HydrophobicContact CH2-CD2 4.02Å; W151-L156 HydrophobicContact CH2-CG 4.13Å; W151-L156 HydrophobicContact CZ2-CB 4.1Å; W151-L156 HydrophobicContact CZ2-CD1 3.8Å; W151-L156 HydrophobicContact CZ2-CG 4.42Å; W151-L156 HydrophobicContact CZ3-CB 4.33Å; W151-L156 HydrophobicContact CZ3-CD1 4.39Å; W151-L156 HydrophobicContact CZ3-CD2 3.98Å; W151-L156 HydrophobicContact CZ3-CG 4.46Å; W151-L156 PolarHBondContact O-N 3.29Å; W151-L156 VanDerWaalsContact O-N 3.11Å; W151-A180 HydrophobicContact CZ2-CB 4.33Å; W151-A180 VanDerWaalsContact CZ2-O 3.31Å; W151-A180 WeakPolarHBondContact CZ2-O 3.24Å; W151-L181 HydrophobicContact CH2-CD2 4.1Å; W151-Y184 HydrophobicContact CB-CD2 3.95Å; W151-Y184 HydrophobicContact CB-CE2 3.8Å; W151-Y184 AromaticContact CD1-CD2 3.72Å; W151-Y184 AromaticContact CD2-CD2 3.28Å; W151-Y184 HydrophobicContact CD2-CD2 3.28Å; W151-Y184 AromaticContact CD2-CE2 3.87Å; W151-Y184 HydrophobicContact CD2-CE2 3.87Å; W151-Y184 AromaticContact CD2-CG 3.81Å; W151-Y184 HydrophobicContact CD2-CG 3.81Å; W151-Y184 AromaticContact CE2-CD2 3.66Å; W151-Y184 AromaticContact CE2-CG 3.87Å; W151-Y184 AromaticContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CE2 4.05Å; W151-Y184 AromaticContact CE3-CG 3.97Å; W151-Y184 HydrophobicContact CE3-CG 3.97Å; W151-Y184 AromaticContact CG-CD2 3.37Å; W151-Y184 HydrophobicContact CG-CD2 3.37Å; W151-Y184 AromaticContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CG 4.33Å; W151-Y184 HydrophobicContact CH2-CG 4.2Å; W151-Y184 HydrophobicContact CZ2-CD2 4.35Å; W151-Y184 HydrophobicContact CZ2-CG 4.1Å; W151-Y184 HydrophobicContact CZ3-CD2 4.36Å; W151-Y184 HydrophobicContact CZ3-CG 4.15Å; W151-Y184 AromaticContact NE1-CD2 3.88Å |
| 152 | L | 80.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -40.5 | -176.3 | -176.4 | 73.8 | 0 | 0 | 0 | 113.3 | T78 F80 I140 Y143 L148 E149 L156 P157 | T78-L152 HydrophobicContact CG2-CD2 4.42Å; F80-L152 WeakPolarHBondContact CE1-O 3.46Å; F80-L152 HydrophobicContact CE2-CD1 3.56Å; F80-L152 HydrophobicContact CE2-CG 4.25Å; F80-L152 HydrophobicContact CZ-CD1 3.4Å; F80-L152 VanDerWaalsContact CZ-CD1 3.4Å; F80-L152 HydrophobicContact CZ-CD2 4.47Å; F80-L152 HydrophobicContact CZ-CG 3.65Å; I140-L152 HydrophobicContact CB-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD1 3.2Å; I140-L152 HydrophobicContact CG1-CD1 4.27Å; I140-L152 HydrophobicContact CG2-CD1 4.32Å; Y143-L152 HydrophobicContact CD1-CD2 4.48Å; Y143-L152 HydrophobicContact CD2-CD2 4.31Å; Y143-L152 HydrophobicContact CG-CD2 4.01Å; L148-L152 WeakPolarHBondContact O-CB 3.18Å; L148-L152 PolarHBondContact O-N 3.47Å; E149-L152 PolarHBondContact O-N 2.89Å; L152-L156 HydrophobicContact CD1-CD2 3.77Å; L152-P157 WeakPolarHBondContact O-CD 3.36Å |
| 153 | F | 77.9 | Confident | 73.9 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 45% | 0.447 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -97.9 | -18.8 | -176.6 | -65.7 | -67.4 | 0 | 0 | 0 | 114.1 | T78 V86 E149 W151 | T78-F153 HydrophobicContact CG2-CE1 4.46Å; V86-F153 HydrophobicContact CG1-CD1 4.25Å; V86-F153 HydrophobicContact CG1-CE1 3.9Å; E149-F153 HydrophobicContact CB-CD2 4.42Å; E149-F153 HydrophobicContact CB-CE2 4.42Å; E149-F153 HydrophobicContact CG-CE2 4.5Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.34Å; E149-F153 VanDerWaalsContact O-N 3.14Å; W151-F153 VanDerWaalsContact C-N 3.33Å; W151-F153 PolarHBondContact O-N 3.42Å |
| 154 | R | 78.6 | Confident | 73.1 | Confident | 210 Ų | 210 | 75 Ų | 75 | 79% | 0.792 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -105.2 | -38.2 | -173.1 | -168.3 | 171.1 | 175 | -112.6 | -2.7 | 113.9 | Q150 W151 | Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 PolarHBondContact O-N 3.32Å; W151-R154 PolarHBondContact O-N 3.42Å |
| 155 | E | 79.5 | Confident | 72.1 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -40 | -168.1 | -175.4 | 64.1 | -141.9 | 0 | 0 | 111.6 | W151 S158 Q159 | W151-E155 HydrophobicContact CG-CB 4.4Å; W151-E155 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-OG 3.24Å; E155-Q159 HydrophobicContact CG-CG 4.5Å; E155-Q159 VanDerWaalsContact CG-NE2 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.24Å; E155-Q159 VanDerWaalsContact O-N 3.14Å; E155-Q159 PolarHBondContact OE1-NE2 3.38Å |
| 156 | L | 83 | Confident | 71.1 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | -179.2 | 179.7 | 64.5 | 0 | 0 | 0 | 113.7 | F80 L138 I140 W151 L152 S158 Q159 L160 A180 | F80-L156 HydrophobicContact CD1-CD2 4.13Å; F80-L156 HydrophobicContact CD1-CG 4.42Å; F80-L156 HydrophobicContact CD2-CD2 4.06Å; F80-L156 HydrophobicContact CE1-CD2 3.91Å; F80-L156 HydrophobicContact CE1-CG 4.39Å; F80-L156 HydrophobicContact CE2-CD2 3.86Å; F80-L156 HydrophobicContact CG-CD2 4.23Å; F80-L156 HydrophobicContact CZ-CD2 3.81Å; L138-L156 HydrophobicContact CD2-CD1 4.01Å; L138-L156 HydrophobicContact CD2-CD2 3.96Å; L138-L156 HydrophobicContact CD2-CG 4.45Å; I140-L156 HydrophobicContact CD1-CD2 3.65Å; W151-L156 HydrophobicContact CE3-CB 4.49Å; W151-L156 HydrophobicContact CH2-CB 4.15Å; W151-L156 HydrophobicContact CH2-CD1 3.61Å; W151-L156 HydrophobicContact CH2-CD2 4.02Å; W151-L156 HydrophobicContact CH2-CG 4.13Å; W151-L156 HydrophobicContact CZ2-CB 4.1Å; W151-L156 HydrophobicContact CZ2-CD1 3.8Å; W151-L156 HydrophobicContact CZ2-CG 4.42Å; W151-L156 HydrophobicContact CZ3-CB 4.33Å; W151-L156 HydrophobicContact CZ3-CD1 4.39Å; W151-L156 HydrophobicContact CZ3-CD2 3.98Å; W151-L156 HydrophobicContact CZ3-CG 4.46Å; W151-L156 PolarHBondContact O-N 3.29Å; W151-L156 VanDerWaalsContact O-N 3.11Å; L152-L156 HydrophobicContact CD1-CD2 3.77Å; L156-S158 PolarHBondContact O-N 2.85Å; L156-Q159 PolarHBondContact O-N 3.18Å; L156-L160 HydrophobicContact CD1-CD1 3.78Å; L156-L160 HydrophobicContact CD1-CD2 4.5Å; L156-L160 HydrophobicContact CD1-CG 3.93Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.68Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.41Å; L156-A180 HydrophobicContact CD1-CB 3.69Å |
| 157 | P | 82.4 | Confident | 70.4 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 179.5 | -24.8 | 36.5 | 0 | 0 | 0 | 113.3 | F80 V86 L152 L160 A161 | F80-P157 HydrophobicContact CD1-CG 4.45Å; F80-P157 HydrophobicContact CE1-CG 4.15Å; V86-P157 HydrophobicContact CG2-CG 4.05Å; L152-P157 WeakPolarHBondContact O-CD 3.36Å; P157-L160 PolarHBondContact O-N 3.3Å; P157-A161 VanDerWaalsContact O-CB 3.29Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.15Å |
| 158 | S | 78.6 | Confident | 69.2 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.6 | 39.9 | 0 | 0 | 0 | 0 | 112.4 | E155 L156 | E155-S158 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-OG 3.24Å; L156-S158 PolarHBondContact O-N 2.85Å |
| 159 | Q | 79.3 | Confident | 68.2 | Low | 54 Ų | 54 | 86 Ų | 86 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -41 | 174.7 | -69.6 | -179.2 | 4.9 | 0 | 0 | 111.4 | E155 L156 G162 A180 | E155-Q159 HydrophobicContact CG-CG 4.5Å; E155-Q159 VanDerWaalsContact CG-NE2 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.24Å; E155-Q159 VanDerWaalsContact O-N 3.14Å; E155-Q159 PolarHBondContact OE1-NE2 3.38Å; L156-Q159 PolarHBondContact O-N 3.18Å; Q159-G162 PolarHBondContact O-N 2.91Å; Q159-A180 HydrophobicContact CB-CB 4.32Å; Q159-A180 VanDerWaalsContact OE1-CB 3.27Å |
| 160 | L | 78.8 | Confident | 67.6 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 178 | -69.9 | 168.3 | 0 | 0 | 0 | 113.3 | F80 L138 L156 P157 G162 F173 R176 A177 | F80-L160 HydrophobicContact CB-CD1 3.57Å; F80-L160 HydrophobicContact CD1-CD1 4.02Å; F80-L160 HydrophobicContact CG-CD1 3.92Å; L138-L160 HydrophobicContact CD2-CD1 4.17Å; L138-L160 HydrophobicContact CD2-CD2 4.41Å; L156-L160 HydrophobicContact CD1-CD1 3.78Å; L156-L160 HydrophobicContact CD1-CD2 4.5Å; L156-L160 HydrophobicContact CD1-CG 3.93Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.68Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.41Å; P157-L160 PolarHBondContact O-N 3.3Å; L160-G162 PolarHBondContact O-N 3.44Å; L160-F173 HydrophobicContact CD2-CE2 3.75Å; L160-F173 HydrophobicContact CD2-CZ 3.95Å; L160-R176 VanDerWaalsContact O-CZ 3.26Å; L160-R176 PolarHBondContact O-NH1 3.39Å; L160-A177 HydrophobicContact CD2-CB 4.11Å |
| 161 | A | 71.1 | Confident | 67.3 | Low | 39 Ų | 39 | 82.9 Ų | 82.9 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.9 | -13.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | P157 E163 | P157-A161 VanDerWaalsContact O-CB 3.29Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.15Å; A161-E163 HydrophobicContact CB-CG 4.47Å |
| 162 | G | 64.9 | Low | 67.2 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 22.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q159 L160 G164 | Q159-G162 PolarHBondContact O-N 2.91Å; L160-G162 PolarHBondContact O-N 3.44Å; G162-G164 PolarHBondContact O-N 3.44Å |
| 163 | E | 56.6 | Low | 67.4 | Low | 166 Ų | 166 | 83 Ų | 83 | 78% | 0.776 | 44% | 0.439 | S | S | * | . | trans | -77.3 | 11.6 | 176.2 | -66.2 | -171.5 | 156.2 | 0 | 0 | 113.2 | A161 | A161-E163 HydrophobicContact CB-CG 4.47Š| ||
| 164 | G | 51.7 | Low | 67.9 | Low | 50 Ų | 50 | 78.1 Ų | 78.1 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | trans | -80.7 | 127.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G162 L166 | G162-G164 PolarHBondContact O-N 3.44Å; G164-L166 VanDerWaalsContact C-N 3.3Å; G164-L166 PolarHBondContact O-N 3.14Å | ||
| 165 | Q | 45.6 | Very low | 68.3 | Low | 194 Ų | 194 | 68.1 Ų | 68.1 | 91% | 0.907 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 21.7 | -158.6 | -159.9 | 152.5 | -10.6 | 0 | 0 | 118.1 | ||
| 166 | L | 43.4 | Very low | 68.5 | Low | 164 Ų | 164 | 66.8 Ų | 66.8 | 86% | 0.859 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | 4.1 | -176 | -74 | 172.1 | 0 | 0 | 0 | 116.2 | G164 T168 | G164-L166 VanDerWaalsContact C-N 3.3Å; G164-L166 PolarHBondContact O-N 3.14Å; L166-T168 PolarHBondContact O-N 3.21Å |
| 167 | V | 46.2 | Very low | 68.8 | Low | 81 Ų | 81 | 66.8 Ų | 66.8 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | trans | -90.7 | 98.6 | -174.1 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | Y169 L171 | V167-Y169 WeakPolarHBondContact CG1-O 3.36Å; V167-Y169 PolarHBondContact O-N 2.88Å; V167-L171 HydrophobicContact CG1-CD1 3.76Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 HydrophobicContact CG2-CD1 3.97Å | ||
| 168 | T | 42.7 | Very low | 69.2 | Low | 124 Ų | 124 | 65.9 Ų | 65.9 | 76% | 0.761 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72.6 | -9.5 | -179.3 | -49 | 0 | 0 | 0 | 0 | 112.2 | L166 | L166-T168 PolarHBondContact O-N 3.21Š|
| 169 | Y | 53 | Low | 69.8 | Low | 186 Ų | 186 | 67.3 Ų | 67.3 | 73% | 0.729 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -143.6 | 133.3 | 177 | -67.6 | -82.3 | 0 | 0 | 0 | 111.2 | V167 L171 | V167-Y169 WeakPolarHBondContact CG1-O 3.36Å; V167-Y169 PolarHBondContact O-N 2.88Å; Y169-L171 PolarHBondContact O-N 2.88Å |
| 170 | P | 64.1 | Low | 70.2 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 71% | 0.714 | 36% | 0.356 | S | S | * | . | trans | -61.5 | 101.1 | 179.6 | 26 | -33.2 | 0 | 0 | 0 | 110.9 | ||||
| 171 | L | 72.3 | Confident | 70.8 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | trans | -60.8 | 143.6 | 174.1 | -83.3 | 140.1 | 0 | 0 | 0 | 109.9 | V167 Y169 F175 R176 | V167-L171 HydrophobicContact CG1-CD1 3.76Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 HydrophobicContact CG2-CD1 3.97Å; Y169-L171 PolarHBondContact O-N 2.88Å; L171-F175 HydrophobicContact CB-CB 4.4Å; L171-F175 HydrophobicContact CD2-CB 3.98Å; L171-F175 HydrophobicContact CD2-CD1 4.01Å; L171-F175 HydrophobicContact CD2-CG 4.11Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 3.05Å | ||
| 172 | P | 81.3 | Confident | 71.8 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.104 | 34% | 0.341 | C | S | . | . | trans | -57 | 155.8 | 174.2 | -20.1 | 31.2 | 0 | 0 | 0 | 112 | E174 F175 R176 T260 | P172-E174 VanDerWaalsContact C-N 3.28Å; P172-E174 VanDerWaalsContact CB-CD 3.42Å; P172-E174 HydrophobicContact CB-CG 4.46Å; P172-E174 WeakPolarHBondContact CB-OE1 3.4Å; P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.76Å; P172-F175 HydrophobicContact CB-CD2 3.77Å; P172-F175 HydrophobicContact CB-CE2 4.19Å; P172-F175 HydrophobicContact CG-CD2 3.75Å; P172-F175 HydrophobicContact CG-CE2 3.86Å; P172-F175 PolarHBondContact O-N 2.85Å; P172-R176 PolarHBondContact O-N 2.79Å; P172-T260 HydrophobicContact CB-CG2 3.99Å | ||
| 173 | F | 84.5 | Confident | 73 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | -174 | 175.5 | -93.4 | 0 | 0 | 0 | 112.4 | K82 I133 T134 P135 L138 L160 F175 R176 A177 | K82-F173 HydrophobicContact CB-CD2 4.09Å; K82-F173 HydrophobicContact CB-CE2 4.5Å; I133-F173 HydrophobicContact CG2-CE1 4.36Å; T134-F173 WeakPolarHBondContact O-CD1 3.47Å; P135-F173 WeakPolarHBondContact O-CB 2.77Å; L138-F173 HydrophobicContact CB-CE1 4.1Å; L138-F173 HydrophobicContact CB-CZ 3.83Å; L160-F173 HydrophobicContact CD2-CE2 3.75Å; L160-F173 HydrophobicContact CD2-CZ 3.95Å; F173-F175 VanDerWaalsContact C-N 3.33Å; F173-F175 PolarHBondContact O-N 2.99Å; F173-R176 PolarHBondContact O-N 2.88Å; F173-A177 HydrophobicContact CE1-CB 4.21Å; F173-A177 WeakPolarHBondContact O-CB 3.3Å; F173-A177 PolarHBondContact O-N 3.41Å |
| 174 | E | 87.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 178.7 | 65.1 | -83.8 | -152.7 | 0 | 0 | 112.9 | I122 I133 P172 A177 I178 L259 T260 | I122-E174 HydrophobicContact CD1-CB 4.23Å; I133-E174 HydrophobicContact CG2-CB 4.28Å; P172-E174 VanDerWaalsContact C-N 3.28Å; P172-E174 VanDerWaalsContact CB-CD 3.42Å; P172-E174 HydrophobicContact CB-CG 4.46Å; P172-E174 WeakPolarHBondContact CB-OE1 3.4Å; P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.76Å; E174-A177 PolarHBondContact O-N 3.29Å; E174-I178 WeakPolarHBondContact O-CB 3.39Å; E174-I178 VanDerWaalsContact O-CG1 3.3Å; E174-I178 WeakPolarHBondContact O-CG1 3.24Å; E174-I178 PolarHBondContact O-N 3.15Å; E174-L259 HydrophobicContact CB-CD1 4.36Å; E174-L259 HydrophobicContact CB-CG 4.41Å; E174-L259 HydrophobicContact CG-CB 4.42Å; E174-L259 PolarHBondContact OE1-N 3.01Å; E174-T260 VanDerWaalsContact OE1-CB 3.28Å; E174-T260 WeakPolarHBondContact OE1-CB 3.38Å; E174-T260 WeakPolarHBondContact OE1-CG2 3.49Å; E174-T260 PolarHBondContact OE1-N 3.13Å; E174-T260 PolarHBondContact OE1-OG1 2.9Å |
| 175 | F | 86.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 176.1 | -72.9 | -109.3 | 0 | 0 | 0 | 110.2 | L171 P172 F173 A177 I178 E179 H277 E280 M281 L284 | L171-F175 HydrophobicContact CB-CB 4.4Å; L171-F175 HydrophobicContact CD2-CB 3.98Å; L171-F175 HydrophobicContact CD2-CD1 4.01Å; L171-F175 HydrophobicContact CD2-CG 4.11Å; P172-F175 HydrophobicContact CB-CD2 3.77Å; P172-F175 HydrophobicContact CB-CE2 4.19Å; P172-F175 HydrophobicContact CG-CD2 3.75Å; P172-F175 HydrophobicContact CG-CE2 3.86Å; P172-F175 PolarHBondContact O-N 2.85Å; F173-F175 VanDerWaalsContact C-N 3.33Å; F173-F175 PolarHBondContact O-N 2.99Å; F175-A177 VanDerWaalsContact C-N 3.27Å; F175-A177 PolarHBondContact O-N 2.6Å; F175-I178 PolarHBondContact O-N 2.88Å; F175-E179 VanDerWaalsContact O-CB 3.24Å; F175-E179 WeakPolarHBondContact O-CB 3.17Å; F175-E179 PolarHBondContact O-N 3.19Å; F175-H277 HydrophobicContact CZ-CB 4.31Å; F175-H277 WeakPolarHBondContact CZ-O 3.2Å; F175-E280 HydrophobicContact CE1-CB 4.08Å; F175-M281 HydrophobicContact CD1-CE 3.63Å; F175-M281 HydrophobicContact CD1-SD 4.26Å; F175-M281 HydrophobicContact CD2-CE 3.9Å; F175-M281 HydrophobicContact CE1-CB 3.69Å; F175-M281 HydrophobicContact CE1-CE 3.6Å; F175-M281 HydrophobicContact CE1-CG 4.49Å; F175-M281 HydrophobicContact CE1-SD 4.24Å; F175-M281 HydrophobicContact CE2-CE 3.84Å; F175-M281 HydrophobicContact CG-CE 3.79Å; F175-M281 HydrophobicContact CZ-CB 4.04Å; F175-M281 HydrophobicContact CZ-CE 3.7Å; F175-L284 HydrophobicContact CD1-CD1 4.35Å |
| 176 | R | 85.8 | Confident | 78.7 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 177.3 | -67.3 | -173.3 | -74.1 | 170.6 | 4.1 | 112.1 | L160 L171 P172 F173 A180 | L160-R176 VanDerWaalsContact O-CZ 3.26Å; L160-R176 PolarHBondContact O-NH1 3.39Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 3.05Å; P172-R176 PolarHBondContact O-N 2.79Å; F173-R176 PolarHBondContact O-N 2.88Å; R176-A180 VanDerWaalsContact O-CB 3.29Å; R176-A180 WeakPolarHBondContact O-CB 3.14Å; R176-A180 PolarHBondContact O-N 3.39Å |
| 177 | A | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I133 L160 F173 E174 F175 L181 | I133-A177 HydrophobicContact CD1-CB 4.03Å; I133-A177 HydrophobicContact CG1-CB 4.47Å; I133-A177 HydrophobicContact CG2-CB 3.83Å; L160-A177 HydrophobicContact CD2-CB 4.11Å; F173-A177 HydrophobicContact CE1-CB 4.21Å; F173-A177 WeakPolarHBondContact O-CB 3.3Å; F173-A177 PolarHBondContact O-N 3.41Å; E174-A177 PolarHBondContact O-N 3.29Å; F175-A177 VanDerWaalsContact C-N 3.27Å; F175-A177 PolarHBondContact O-N 2.6Å; A177-L181 WeakPolarHBondContact O-CD1 3.33Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.45Å; A177-L181 VanDerWaalsContact O-N 3.13Å |
| 178 | I | 90.6 | Very high | 83.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.5 | -71.4 | 164.3 | 0 | 0 | 0 | 110.2 | I122 I124 I133 E174 F175 A180 L181 L182 L257 M281 L284 L285 | I122-I178 HydrophobicContact CD1-CD1 3.75Å; I122-I178 HydrophobicContact CD1-CG1 4.32Å; I124-I178 HydrophobicContact CD1-CG1 4.33Å; I133-I178 HydrophobicContact CD1-CG1 3.68Å; E174-I178 WeakPolarHBondContact O-CB 3.39Å; E174-I178 VanDerWaalsContact O-CG1 3.3Å; E174-I178 WeakPolarHBondContact O-CG1 3.24Å; E174-I178 PolarHBondContact O-N 3.15Å; F175-I178 PolarHBondContact O-N 2.88Å; I178-A180 VanDerWaalsContact C-N 3.35Å; I178-A180 PolarHBondContact O-N 3.42Å; I178-L181 PolarHBondContact O-N 3.36Å; I178-L181 VanDerWaalsContact O-N 3.14Å; I178-L182 HydrophobicContact CG2-CD1 3.5Å; I178-L182 VanDerWaalsContact CG2-CD1 3.5Å; I178-L182 HydrophobicContact CG2-CG 3.98Å; I178-L182 WeakPolarHBondContact O-CG 3.17Å; I178-L182 PolarHBondContact O-N 2.98Å; I178-L257 HydrophobicContact CD1-CD2 4.34Å; I178-M281 HydrophobicContact CD1-CE 3.59Å; I178-M281 HydrophobicContact CD1-SD 3.97Å; I178-L284 HydrophobicContact CG2-CD2 4.15Å; I178-L285 HydrophobicContact CG2-CD2 4.43Å |
| 179 | E | 89.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 32.2 Ų | 32.2 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -53.6 | -50.8 | 178.3 | -168.7 | 178.1 | -172.3 | 0 | 0 | 111.2 | F175 L181 L182 Q183 L284 Y288 | F175-E179 VanDerWaalsContact O-CB 3.24Å; F175-E179 WeakPolarHBondContact O-CB 3.17Å; F175-E179 PolarHBondContact O-N 3.19Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å; E179-L182 PolarHBondContact O-N 2.83Å; E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 PolarHBondContact O-N 3.3Å; E179-L284 HydrophobicContact CB-CD1 4.16Å; E179-L284 HydrophobicContact CG-CD1 4.48Å; E179-Y288 HydrophobicContact CG-CE2 3.96Å; E179-Y288 WeakPolarHBondContact CG-OH 3.47Å; E179-Y288 PolarHBondContact O-OH 3.25Å |
| 180 | A | 88.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W151 L156 Q159 R176 I178 Y184 | W151-A180 HydrophobicContact CZ2-CB 4.33Å; W151-A180 VanDerWaalsContact CZ2-O 3.31Å; W151-A180 WeakPolarHBondContact CZ2-O 3.24Å; L156-A180 HydrophobicContact CD1-CB 3.69Å; Q159-A180 HydrophobicContact CB-CB 4.32Å; Q159-A180 VanDerWaalsContact OE1-CB 3.27Å; R176-A180 VanDerWaalsContact O-CB 3.29Å; R176-A180 WeakPolarHBondContact O-CB 3.14Å; R176-A180 PolarHBondContact O-N 3.39Å; I178-A180 VanDerWaalsContact C-N 3.35Å; I178-A180 PolarHBondContact O-N 3.42Å; A180-Y184 WeakPolarHBondContact O-CB 3.44Å; A180-Y184 PolarHBondContact O-N 3.02Å |
| 181 | L | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.7 | -42.8 | 179.5 | -65 | 167 | 0 | 0 | 0 | 111.9 | I124 M126 L129 A131 I133 L138 W151 A177 I178 E179 Y184 W185 | I124-L181 HydrophobicContact CD1-CD1 3.9Å; M126-L181 HydrophobicContact CE-CB 4.44Å; M126-L181 HydrophobicContact SD-CB 4.39Å; L129-L181 HydrophobicContact CD1-CD2 4.3Å; L129-L181 HydrophobicContact CD2-CD2 3.72Å; L129-L181 HydrophobicContact CG-CD2 4.39Å; A131-L181 HydrophobicContact CB-CD1 3.91Å; A131-L181 HydrophobicContact CB-CD2 4.2Å; I133-L181 HydrophobicContact CD1-CD1 3.87Å; I133-L181 HydrophobicContact CG1-CD1 4.36Å; L138-L181 HydrophobicContact CD1-CD1 4.02Å; W151-L181 HydrophobicContact CH2-CD2 4.1Å; A177-L181 WeakPolarHBondContact O-CD1 3.33Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.45Å; A177-L181 VanDerWaalsContact O-N 3.13Å; I178-L181 PolarHBondContact O-N 3.36Å; I178-L181 VanDerWaalsContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å; L181-Y184 PolarHBondContact O-N 3.39Å; L181-W185 PolarHBondContact O-N 2.81Å |
| 182 | L | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.8 | -66.7 | 174.8 | 0 | 0 | 0 | 111.1 | M126 I178 E179 Y184 W185 I186 F240 I244 L284 L285 Y288 | M126-L182 HydrophobicContact CE-CD2 3.53Å; M126-L182 HydrophobicContact CE-CG 4.34Å; I178-L182 HydrophobicContact CG2-CD1 3.5Å; I178-L182 VanDerWaalsContact CG2-CD1 3.5Å; I178-L182 HydrophobicContact CG2-CG 3.98Å; I178-L182 WeakPolarHBondContact O-CG 3.17Å; I178-L182 PolarHBondContact O-N 2.98Å; E179-L182 PolarHBondContact O-N 2.83Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.48Å; L182-W185 PolarHBondContact O-N 2.83Å; L182-W185 VanDerWaalsContact O-N 3.16Å; L182-I186 WeakPolarHBondContact O-CG1 3.21Å; L182-I186 PolarHBondContact O-N 3.28Å; L182-F240 HydrophobicContact CD2-CE2 3.66Å; L182-F240 HydrophobicContact CD2-CZ 3.74Å; L182-I244 HydrophobicContact CD2-CD1 3.84Å; L182-L284 HydrophobicContact CD1-CD2 3.92Å; L182-L285 HydrophobicContact CD1-CD2 3.73Å; L182-Y288 HydrophobicContact CB-CD1 3.88Å; L182-Y288 HydrophobicContact CB-CD2 3.91Å; L182-Y288 HydrophobicContact CB-CE1 4.07Å; L182-Y288 HydrophobicContact CB-CE2 4.11Å; L182-Y288 HydrophobicContact CB-CG 3.81Å; L182-Y288 HydrophobicContact CD1-CD2 3.61Å; L182-Y288 HydrophobicContact CD1-CE2 4.23Å; L182-Y288 HydrophobicContact CD1-CG 3.98Å; L182-Y288 HydrophobicContact CG-CD2 4.42Å; L182-Y288 HydrophobicContact CG-CG 4.49Å |
| 183 | Q | 90.8 | Very high | 90.4 | Very high | 54 Ų | 54 | 24.6 Ų | 24.6 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.9 | -171.8 | 64.2 | 45.6 | 0 | 0 | 111.6 | E179 W185 N187 Y288 | E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 PolarHBondContact O-N 3.3Å; Q183-W185 VanDerWaalsContact C-N 3.31Å; Q183-W185 PolarHBondContact O-N 3.43Å; Q183-N187 PolarHBondContact NE2-OD1 2.94Å; Q183-N187 VanDerWaalsContact O-CB 3.3Å; Q183-N187 WeakPolarHBondContact O-CB 3.27Å; Q183-N187 PolarHBondContact O-N 2.56Å; Q183-N187 PolarHBondContact O-ND2 2.82Å; Q183-Y288 HydrophobicContact CB-CE1 4.2Å; Q183-Y288 PolarHBondContact OE1-OH 3.42Å |
| 184 | Y | 89.8 | Confident | 90.8 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.5 | 173.3 | -104.3 | 0 | 0 | 0 | 112.2 | Y128 L129 L148 W151 A180 L181 L182 N187 T188 | Y128-Y184 AromaticContact CE2-CE1 3.93Å; Y128-Y184 HydrophobicContact CE2-CE1 3.93Å; Y128-Y184 WeakPolarHBondContact CE2-OH 3.45Å; Y128-Y184 PolarHBondContact OH-OH 3.36Å; L129-Y184 HydrophobicContact CD2-CD1 3.91Å; L129-Y184 HydrophobicContact CD2-CE1 4.27Å; L148-Y184 HydrophobicContact CD1-CE1 3.78Å; L148-Y184 HydrophobicContact CD1-CE2 4.31Å; W151-Y184 HydrophobicContact CB-CD2 3.95Å; W151-Y184 HydrophobicContact CB-CE2 3.8Å; W151-Y184 AromaticContact CD1-CD2 3.72Å; W151-Y184 AromaticContact CD2-CD2 3.28Å; W151-Y184 HydrophobicContact CD2-CD2 3.28Å; W151-Y184 AromaticContact CD2-CE2 3.87Å; W151-Y184 HydrophobicContact CD2-CE2 3.87Å; W151-Y184 AromaticContact CD2-CG 3.81Å; W151-Y184 HydrophobicContact CD2-CG 3.81Å; W151-Y184 AromaticContact CE2-CD2 3.66Å; W151-Y184 AromaticContact CE2-CG 3.87Å; W151-Y184 AromaticContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CE2 4.05Å; W151-Y184 AromaticContact CE3-CG 3.97Å; W151-Y184 HydrophobicContact CE3-CG 3.97Å; W151-Y184 AromaticContact CG-CD2 3.37Å; W151-Y184 HydrophobicContact CG-CD2 3.37Å; W151-Y184 AromaticContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CG 4.33Å; W151-Y184 HydrophobicContact CH2-CG 4.2Å; W151-Y184 HydrophobicContact CZ2-CD2 4.35Å; W151-Y184 HydrophobicContact CZ2-CG 4.1Å; W151-Y184 HydrophobicContact CZ3-CD2 4.36Å; W151-Y184 HydrophobicContact CZ3-CG 4.15Å; W151-Y184 AromaticContact NE1-CD2 3.88Å; A180-Y184 WeakPolarHBondContact O-CB 3.44Å; A180-Y184 PolarHBondContact O-N 3.02Å; L181-Y184 PolarHBondContact O-N 3.39Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.48Å; Y184-N187 PolarHBondContact O-N 3.35Å; Y184-T188 WeakPolarHBondContact O-CB 3.42Å; Y184-T188 PolarHBondContact O-N 3.34Å; Y184-T188 PolarHBondContact O-OG1 2.86Å |
| 185 | W | 91.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | -179.5 | -172.6 | -114.2 | 0 | 0 | 0 | 112.1 | M113 M126 E127 Y128 L181 L182 Q183 N187 T188 L189 F240 | M113-W185 HydrophobicContact CE-CD2 4.24Å; M113-W185 HydrophobicContact CE-CZ2 3.73Å; M126-W185 HydrophobicContact CB-CD2 4.13Å; M126-W185 HydrophobicContact CB-CE3 4.02Å; M126-W185 HydrophobicContact CB-CZ3 4.47Å; M126-W185 HydrophobicContact CG-CG 4.49Å; M126-W185 HydrophobicContact SD-CB 3.95Å; M126-W185 HydrophobicContact SD-CG 4.31Å; E127-W185 HydrophobicContact CB-CH2 3.5Å; E127-W185 HydrophobicContact CB-CZ2 4.46Å; E127-W185 HydrophobicContact CB-CZ3 3.89Å; E127-W185 HydrophobicContact CG-CH2 4.39Å; E127-W185 VanDerWaalsContact OE2-CH2 3.27Å; E127-W185 WeakPolarHBondContact OE2-CH2 3.14Å; Y128-W185 AromaticContact CE1-CZ3 3.97Å; Y128-W185 HydrophobicContact CE1-CZ3 3.97Å; L181-W185 PolarHBondContact O-N 2.81Å; L182-W185 PolarHBondContact O-N 2.83Å; L182-W185 VanDerWaalsContact O-N 3.16Å; Q183-W185 VanDerWaalsContact C-N 3.31Å; Q183-W185 PolarHBondContact O-N 3.43Å; W185-N187 PolarHBondContact O-N 2.63Å; W185-T188 WeakPolarHBondContact O-CB 3.49Å; W185-T188 PolarHBondContact O-N 3.07Å; W185-T188 VanDerWaalsContact O-N 3.13Å; W185-L189 HydrophobicContact CG-CD1 4.48Å; W185-L189 HydrophobicContact CZ2-CD2 3.96Å; W185-L189 HydrophobicContact CZ2-CG 4.36Å; W185-L189 WeakPolarHBondContact O-CG 3.26Å; W185-L189 PolarHBondContact O-N 3.14Å; W185-F240 AromaticContact CD1-CD2 3.3Å; W185-F240 AromaticContact CD1-CE2 3.55Å; W185-F240 AromaticContact CD1-CG 3.65Å; W185-F240 HydrophobicContact CG-CD2 4.44Å; W185-F240 HydrophobicContact CG-CE2 4.49Å; W185-F240 AromaticContact NE1-CD2 3.51Å; W185-F240 AromaticContact NE1-CG 3.59Å |
| 186 | I | 93 | Very high | 91.3 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.4 | -69.5 | -60.7 | 0 | 0 | 0 | 111.2 | L182 T188 L189 Q190 F240 Y288 L291 A292 | L182-I186 WeakPolarHBondContact O-CG1 3.21Å; L182-I186 PolarHBondContact O-N 3.28Å; I186-T188 PolarHBondContact O-N 3.16Å; I186-L189 PolarHBondContact O-N 3.13Å; I186-Q190 VanDerWaalsContact O-CB 3.32Å; I186-Q190 WeakPolarHBondContact O-CB 3.3Å; I186-Q190 PolarHBondContact O-N 3.25Å; I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CE1 3.66Å; I186-F240 HydrophobicContact CD1-CZ 4.29Å; I186-F240 HydrophobicContact CG1-CE1 4.44Å; I186-Y288 HydrophobicContact CG1-CD1 4.01Å; I186-L291 HydrophobicContact CG2-CB 4.47Å; I186-A292 HydrophobicContact CD1-CB 3.93Å |
| 187 | N | 91.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61 | -35 | 177.7 | -72.1 | -12.4 | 0 | 0 | 0 | 112 | Q183 Y184 W185 G191 | Q183-N187 PolarHBondContact NE2-OD1 2.94Å; Q183-N187 VanDerWaalsContact O-CB 3.3Å; Q183-N187 WeakPolarHBondContact O-CB 3.27Å; Q183-N187 PolarHBondContact O-N 2.56Å; Q183-N187 PolarHBondContact O-ND2 2.82Å; Y184-N187 PolarHBondContact O-N 3.35Å; W185-N187 PolarHBondContact O-N 2.63Å; N187-G191 PolarHBondContact O-N 3.43Å |
| 188 | T | 90.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -49.4 | 175 | -62.2 | 0 | 0 | 0 | 0 | 111 | Y128 Y184 W185 I186 G191 K192 | Y128-T188 WeakPolarHBondContact OH-CG2 3.49Å; Y184-T188 WeakPolarHBondContact O-CB 3.42Å; Y184-T188 PolarHBondContact O-N 3.34Å; Y184-T188 PolarHBondContact O-OG1 2.86Å; W185-T188 WeakPolarHBondContact O-CB 3.49Å; W185-T188 PolarHBondContact O-N 3.07Å; W185-T188 VanDerWaalsContact O-N 3.13Å; I186-T188 PolarHBondContact O-N 3.16Å; T188-G191 PolarHBondContact O-N 3.34Å; T188-K192 PolarHBondContact O-N 3.48Å |
| 189 | L | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 179.5 | -64.6 | 172.5 | 0 | 0 | 0 | 111.1 | W185 I186 G191 K192 L193 L233 D236 I237 L295 | W185-L189 HydrophobicContact CG-CD1 4.48Å; W185-L189 HydrophobicContact CZ2-CD2 3.96Å; W185-L189 HydrophobicContact CZ2-CG 4.36Å; W185-L189 WeakPolarHBondContact O-CG 3.26Å; W185-L189 PolarHBondContact O-N 3.14Å; I186-L189 PolarHBondContact O-N 3.13Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 2.81Å; L189-K192 PolarHBondContact O-N 3.42Å; L189-L193 PolarHBondContact O-N 2.89Å; L189-L233 HydrophobicContact CB-CD1 4.27Å; L189-L233 HydrophobicContact CD2-CD1 3.72Å; L189-D236 HydrophobicContact CD2-CB 3.92Å; L189-I237 HydrophobicContact CB-CG1 4.45Å; L189-I237 HydrophobicContact CD1-CG1 4Å; L189-I237 HydrophobicContact CD2-CG1 4.27Å; L189-I237 HydrophobicContact CG-CG1 4.49Å; L189-L295 HydrophobicContact CB-CD2 3.35Å; L189-L295 HydrophobicContact CD1-CD2 4.43Å |
| 190 | Q | 94.5 | Very high | 91.7 | Very high | 101 Ų | 101 | 38 Ų | 38 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 174.6 | -171.4 | 177.2 | 15.6 | 0 | 0 | 111.7 | I186 L193 S194 L295 | I186-Q190 VanDerWaalsContact O-CB 3.32Å; I186-Q190 WeakPolarHBondContact O-CB 3.3Å; I186-Q190 PolarHBondContact O-N 3.25Å; Q190-L193 PolarHBondContact O-N 3Å; Q190-S194 WeakPolarHBondContact O-CB 3.28Å; Q190-S194 PolarHBondContact O-N 3.05Å; Q190-S194 PolarHBondContact O-OG 2.94Å; Q190-L295 HydrophobicContact CB-CD1 4.19Å; Q190-L295 HydrophobicContact CG-CD1 4.35Å |
| 191 | G | 92.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | N187 T188 L189 L193 S194 I195 | N187-G191 PolarHBondContact O-N 3.43Å; T188-G191 PolarHBondContact O-N 3.34Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 2.81Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 3.27Å; G191-S194 PolarHBondContact O-N 3.07Å; G191-S194 PolarHBondContact O-OG 2.82Å; G191-I195 WeakPolarHBondContact O-CG1 3.37Å; G191-I195 PolarHBondContact O-N 2.91Å |
| 192 | K | 92 | Very high | 91.6 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.7 | -70 | 177 | -179.6 | 176.7 | 0 | 111.1 | E127 T188 L189 I195 L196 L233 D236 | E127-K192 IonicContact OE2-NZ 2.68Å; E127-K192 PolarHBondContact OE2-NZ 2.91Å; T188-K192 PolarHBondContact O-N 3.48Å; L189-K192 PolarHBondContact O-N 3.42Å; K192-I195 PolarHBondContact O-N 2.57Å; K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 2.96Å; K192-L233 HydrophobicContact CB-CD1 3.93Å; K192-L233 HydrophobicContact CB-CD2 4.18Å; K192-L233 HydrophobicContact CD-CD1 3.99Å; K192-D236 IonicContact NZ-OD2 2.97Å; K192-D236 PolarHBondContact NZ-OD2 3.47Å |
| 193 | L | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 179 | -172 | 60.3 | 0 | 0 | 0 | 112.4 | L189 Q190 G191 I195 L196 Q197 L230 L233 L295 E298 A299 L302 | L189-L193 PolarHBondContact O-N 2.89Å; Q190-L193 PolarHBondContact O-N 3Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 3.27Å; L193-I195 PolarHBondContact O-N 2.68Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L193-Q197 WeakPolarHBondContact O-CB 3.32Å; L193-Q197 PolarHBondContact O-N 3.24Å; L193-L230 HydrophobicContact CD1-CD1 4.14Å; L193-L233 HydrophobicContact CB-CD2 3.85Å; L193-L233 HydrophobicContact CD1-CD2 4Å; L193-L295 HydrophobicContact CB-CD1 4.08Å; L193-L295 HydrophobicContact CD2-CD1 3.37Å; L193-L295 HydrophobicContact CD2-CG 4.28Å; L193-L295 HydrophobicContact CG-CD1 4.37Å; L193-E298 HydrophobicContact CD2-CB 3.66Å; L193-A299 HydrophobicContact CD1-CB 4.18Å; L193-L302 HydrophobicContact CD1-CD2 4.32Å |
| 194 | S | 93.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -25.9 | -177.6 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | Q190 G191 P198 | Q190-S194 WeakPolarHBondContact O-CB 3.28Å; Q190-S194 PolarHBondContact O-N 3.05Å; Q190-S194 PolarHBondContact O-OG 2.94Å; G191-S194 PolarHBondContact O-N 3.07Å; G191-S194 PolarHBondContact O-OG 2.82Å; S194-P198 WeakPolarHBondContact O-CD 3.33Å; S194-P198 WeakPolarHBondContact O-CG 3.49Å |
| 195 | I | 92.4 | Very high | 90.6 | Very high | 110 Ų | 110 | 51.5 Ų | 51.5 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -81.2 | -43.7 | 174.2 | -64.7 | 165.5 | 0 | 0 | 0 | 110.4 | G191 K192 L193 P198 L199 | G191-I195 WeakPolarHBondContact O-CG1 3.37Å; G191-I195 PolarHBondContact O-N 2.91Å; K192-I195 PolarHBondContact O-N 2.57Å; L193-I195 PolarHBondContact O-N 2.68Å; I195-P198 WeakPolarHBondContact O-CD 3.39Å; I195-P198 WeakPolarHBondContact O-CG 3.36Å; I195-L199 HydrophobicContact CG2-CD1 4.03Å; I195-L199 WeakPolarHBondContact O-CD1 3.34Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å |
| 196 | L | 92 | Very high | 90.1 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | -177 | -72.5 | 174.3 | 0 | 0 | 0 | 112.8 | K192 L193 L199 I200 L233 | K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 2.96Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L196-L199 PolarHBondContact O-N 3.43Å; L196-I200 HydrophobicContact CB-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.27Å; L196-L233 HydrophobicContact CD1-CD2 4.27Å |
| 197 | Q | 93.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54 | -56 | -177.3 | -174.6 | -179 | 19.4 | 0 | 0 | 113.6 | L193 L199 I200 L201 L302 | L193-Q197 WeakPolarHBondContact O-CB 3.32Å; L193-Q197 PolarHBondContact O-N 3.24Å; Q197-L199 VanDerWaalsContact C-N 3.35Å; Q197-L199 PolarHBondContact O-N 2.84Å; Q197-I200 PolarHBondContact O-N 3.21Å; Q197-L201 HydrophobicContact CG-CD1 4.11Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.38Å; Q197-L201 PolarHBondContact O-N 3.46Å; Q197-L302 HydrophobicContact CB-CD2 4.19Å; Q197-L302 HydrophobicContact CG-CD2 4.47Å |
| 198 | P | 92.4 | Very high | 88.5 | Confident | 67 Ų | 67 | 52 Ų | 52 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 179.6 | 25.7 | -34.6 | 0 | 0 | 0 | 112.4 | S194 I195 I200 L201 E202 | S194-P198 WeakPolarHBondContact O-CD 3.33Å; S194-P198 WeakPolarHBondContact O-CG 3.49Å; I195-P198 WeakPolarHBondContact O-CD 3.39Å; I195-P198 WeakPolarHBondContact O-CG 3.36Å; P198-I200 PolarHBondContact O-N 2.78Å; P198-L201 PolarHBondContact O-N 3.36Å; P198-E202 WeakPolarHBondContact O-CB 3.23Å; P198-E202 PolarHBondContact O-N 3.34Å |
| 199 | L | 89.3 | Confident | 87.6 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.2 | -70.1 | 171.7 | 0 | 0 | 0 | 112.1 | I195 L196 Q197 T203 | I195-L199 HydrophobicContact CG2-CD1 4.03Å; I195-L199 WeakPolarHBondContact O-CD1 3.34Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å; L196-L199 PolarHBondContact O-N 3.43Å; Q197-L199 VanDerWaalsContact C-N 3.35Å; Q197-L199 PolarHBondContact O-N 2.84Å; L199-T203 WeakPolarHBondContact O-CB 3.42Å; L199-T203 PolarHBondContact O-N 3.49Å; L199-T203 VanDerWaalsContact O-N 3.08Å; L199-T203 PolarHBondContact O-OG1 3.46Å |
| 200 | I | 89.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -49.1 | 177.3 | -72.9 | 161.3 | 0 | 0 | 0 | 109.8 | L196 Q197 P198 E202 T203 L204 N226 L230 L302 I306 | L196-I200 HydrophobicContact CB-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.27Å; Q197-I200 PolarHBondContact O-N 3.21Å; P198-I200 PolarHBondContact O-N 2.78Å; I200-E202 PolarHBondContact O-N 3.44Å; I200-T203 PolarHBondContact O-N 2.93Å; I200-L204 HydrophobicContact CG2-CD1 3.77Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.02Å; I200-N226 HydrophobicContact CD1-CB 4.17Å; I200-N226 HydrophobicContact CG1-CB 3.68Å; I200-L230 HydrophobicContact CD1-CB 4.43Å; I200-L230 HydrophobicContact CD1-CD2 4.28Å; I200-L302 HydrophobicContact CB-CD1 4.08Å; I200-L302 HydrophobicContact CB-CD2 4.43Å; I200-L302 HydrophobicContact CB-CG 4.48Å; I200-L302 HydrophobicContact CD1-CD2 3.57Å; I200-L302 HydrophobicContact CD1-CG 4.04Å; I200-L302 HydrophobicContact CG2-CD1 3.63Å; I200-L302 HydrophobicContact CG2-CG 4.13Å; I200-I306 HydrophobicContact CD1-CD1 3.96Å; I200-I306 HydrophobicContact CG1-CD1 4.32Å; I200-I306 HydrophobicContact CG2-CD1 3.77Å; I200-I306 HydrophobicContact CG2-CG1 3.57Å |
| 201 | L | 89.4 | Confident | 84.3 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | -179.9 | -69.3 | 174.7 | 0 | 0 | 0 | 112.2 | Q197 P198 T203 L204 D205 L302 L305 | Q197-L201 HydrophobicContact CG-CD1 4.11Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.38Å; Q197-L201 PolarHBondContact O-N 3.46Å; P198-L201 PolarHBondContact O-N 3.36Å; L201-T203 PolarHBondContact O-N 3.25Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-D205 WeakPolarHBondContact O-CB 3.42Å; L201-D205 PolarHBondContact O-N 3.02Å; L201-L302 HydrophobicContact CD2-CD1 4.44Å; L201-L302 HydrophobicContact CG-CD1 4.48Å; L201-L305 HydrophobicContact CD2-CD2 3.27Å |
| 202 | E | 87.2 | Confident | 82.5 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 177 | -174.2 | -177.5 | 171 | 0 | 0 | 112 | P198 I200 A206 | P198-E202 WeakPolarHBondContact O-CB 3.23Å; P198-E202 PolarHBondContact O-N 3.34Å; I200-E202 PolarHBondContact O-N 3.44Å; E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.48Å |
| 203 | T | 84.6 | Confident | 80.5 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 178.4 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L199 I200 L201 A206 L207 K219 L223 | L199-T203 WeakPolarHBondContact O-CB 3.42Å; L199-T203 PolarHBondContact O-N 3.49Å; L199-T203 VanDerWaalsContact O-N 3.08Å; L199-T203 PolarHBondContact O-OG1 3.46Å; I200-T203 PolarHBondContact O-N 2.93Å; L201-T203 PolarHBondContact O-N 3.25Å; T203-A206 PolarHBondContact O-N 3Å; T203-L207 HydrophobicContact CG2-CD1 3.92Å; T203-L207 WeakPolarHBondContact O-CB 3.31Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 3.45Å; T203-L207 VanDerWaalsContact O-N 3.1Å; T203-K219 WeakPolarHBondContact CG2-O 3.11Å; T203-L223 HydrophobicContact CG2-CB 3.94Å; T203-L223 HydrophobicContact CG2-CD1 4.37Å |
| 204 | L | 84.4 | Confident | 78.7 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 176.8 | -72.3 | -178.5 | 0 | 0 | 0 | 111.4 | I200 L201 A206 L207 V208 L223 L305 I306 S309 | I200-L204 HydrophobicContact CG2-CD1 3.77Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.02Å; L201-L204 PolarHBondContact O-N 2.84Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 3.28Å; L204-V208 WeakPolarHBondContact O-CB 3.34Å; L204-V208 VanDerWaalsContact O-CG2 3.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.41Å; L204-V208 PolarHBondContact O-N 2.97Å; L204-L223 HydrophobicContact CD2-CD1 3.5Å; L204-L223 HydrophobicContact CD2-CD2 3.69Å; L204-L223 HydrophobicContact CD2-CG 4.26Å; L204-L223 HydrophobicContact CG-CD1 3.96Å; L204-L305 HydrophobicContact CD1-CD2 4.06Å; L204-L305 HydrophobicContact CD1-CG 3.87Å; L204-I306 HydrophobicContact CD1-CG1 4.2Å; L204-S309 VanDerWaalsContact CD2-CB 3.44Å |
| 205 | D | 83.8 | Confident | 77.1 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 66% | 0.658 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.8 | -41.7 | 176.7 | -83.5 | -16.9 | 0 | 0 | 0 | 111.4 | L201 L207 D209 | L201-D205 WeakPolarHBondContact O-CB 3.42Å; L201-D205 PolarHBondContact O-N 3.02Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.12Å; D205-D209 PolarHBondContact O-N 3.13Å; D205-D209 VanDerWaalsContact O-N 3.13Å |
| 206 | A | 80.4 | Confident | 75.8 | Confident | 37 Ų | 37 | 67 Ų | 67 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.3 | -27.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E202 T203 L204 K219 | E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.48Å; T203-A206 PolarHBondContact O-N 3Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.19Å; A206-K219 HydrophobicContact CB-CD 4.33Å |
| 207 | L | 76.1 | Confident | 74.7 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -90.7 | -27 | 179.6 | -74.2 | 171.9 | 0 | 0 | 0 | 113 | T203 L204 D205 V215 K219 L223 I313 | T203-L207 HydrophobicContact CG2-CD1 3.92Å; T203-L207 WeakPolarHBondContact O-CB 3.31Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 3.45Å; T203-L207 VanDerWaalsContact O-N 3.1Å; L204-L207 PolarHBondContact O-N 3.28Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.12Å; L207-V215 HydrophobicContact CD2-CG1 4.22Å; L207-K219 HydrophobicContact CD1-CB 4.41Å; L207-K219 HydrophobicContact CD2-CB 3.78Å; L207-K219 HydrophobicContact CG-CB 4.16Å; L207-L223 HydrophobicContact CD1-CB 4.2Å; L207-L223 HydrophobicContact CD1-CD2 3.91Å; L207-I313 HydrophobicContact CB-CD1 3.71Å; L207-I313 HydrophobicContact CB-CG1 4.06Å; L207-I313 HydrophobicContact CD1-CD1 3.89Å; L207-I313 HydrophobicContact CG-CD1 4.38Å |
| 208 | V | 74.3 | Confident | 73.8 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -85.5 | -26.6 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L204 P210 | L204-V208 WeakPolarHBondContact O-CB 3.34Å; L204-V208 VanDerWaalsContact O-CG2 3.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.41Å; L204-V208 PolarHBondContact O-N 2.97Å; V208-P210 WeakPolarHBondContact O-CD 2.99Å; V208-P210 VanDerWaalsContact O-N 3.08Å |
| 209 | D | 71.2 | Confident | 73.1 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | trans | -60.8 | 112.9 | -178.7 | -168.5 | -16.3 | 0 | 0 | 0 | 111.8 | D205 K211 H212 | D205-D209 PolarHBondContact O-N 3.13Å; D205-D209 VanDerWaalsContact O-N 3.13Å; D209-K211 PolarHBondContact O-N 2.83Å; D209-K211 WeakPolarHBondContact OD1-CB 3.45Å; D209-K211 PolarHBondContact OD1-N 2.99Å; D209-H212 PolarHBondContact O-N 3.18Å; D209-H212 IonicContact OD2-CD2 2.72Å | ||
| 210 | P | 60.6 | Low | 72.7 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.5 | -177.5 | 27.8 | -36.3 | 0 | 0 | 0 | 113.6 | V208 | V208-P210 WeakPolarHBondContact O-CD 2.99Å; V208-P210 VanDerWaalsContact O-N 3.08Å |
| 211 | K | 57.5 | Low | 72.3 | Confident | 176 Ų | 176 | 81.1 Ų | 81.1 | 77% | 0.765 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -24.2 | 179.1 | -65.1 | 179.3 | 180 | 179.1 | 0 | 112.9 | D209 S213 | D209-K211 PolarHBondContact O-N 2.83Å; D209-K211 WeakPolarHBondContact OD1-CB 3.45Å; D209-K211 PolarHBondContact OD1-N 2.99Å; K211-S213 PolarHBondContact O-N 3.29Å |
| 212 | H | 54.9 | Low | 72.2 | Confident | 120 Ų | 120 | 80.8 Ų | 80.8 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | trans | -93.1 | 73.2 | 178.4 | -67.5 | -72.5 | 0 | 0 | 0 | 109.7 | D209 S214 | D209-H212 PolarHBondContact O-N 3.18Å; D209-H212 IonicContact OD2-CD2 2.72Å; H212-S214 PolarHBondContact O-N 2.96Å | ||
| 213 | S | 50.3 | Low | 72.2 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | trans | -58.8 | 2.6 | -175.9 | 63.8 | 0 | 0 | 0 | 0 | 117.4 | K211 H320 | K211-S213 PolarHBondContact O-N 3.29Å; S213-H320 PolarHBondContact O-CE1 3.13Å | ||
| 214 | S | 56.3 | Low | 72.2 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | trans | -112.1 | 97.3 | 170.7 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | H212 D216 | H212-S214 PolarHBondContact O-N 2.96Å; S214-D216 VanDerWaalsContact C-N 3.28Å; S214-D216 PolarHBondContact O-N 3.18Å | ||
| 215 | V | 60.6 | Low | 72.5 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 21% | 0.206 | 44% | 0.437 | C | S | . | . | trans | -59.1 | 99.2 | 164 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | L207 R217 L317 | L207-V215 HydrophobicContact CD2-CG1 4.22Å; V215-R217 PolarHBondContact O-N 2.91Å; V215-R217 VanDerWaalsContact O-N 3.16Å; V215-L317 HydrophobicContact CB-CD2 3.68Å; V215-L317 HydrophobicContact CB-CG 4.49Å; V215-L317 HydrophobicContact CG1-CD1 4.38Å; V215-L317 HydrophobicContact CG1-CD2 3.83Å; V215-L317 HydrophobicContact CG1-CG 4.29Å; V215-L317 HydrophobicContact CG2-CD2 3.72Å; V215-L317 HydrophobicContact CG2-CG 4.21Å | ||
| 216 | D | 64.5 | Low | 72.7 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | trans | -67 | 114.2 | 178.2 | -75 | -38.2 | 0 | 0 | 0 | 108 | S214 S218 K219 L220 | S214-D216 VanDerWaalsContact C-N 3.28Å; S214-D216 PolarHBondContact O-N 3.18Å; D216-S218 PolarHBondContact O-N 2.72Å; D216-K219 HydrophobicContact CB-CB 4.18Å; D216-K219 HydrophobicContact CB-CD 3.96Å; D216-K219 HydrophobicContact CB-CG 3.9Å; D216-K219 PolarHBondContact O-N 3.2Å; D216-K219 VanDerWaalsContact OD2-CE 3.31Å; D216-K219 WeakPolarHBondContact OD2-CE 3.4Å; D216-K219 IonicContact OD2-NZ 3.56Å; D216-K219 PolarHBondContact OD2-NZ 3.03Å; D216-L220 PolarHBondContact O-N 3.45Å | ||
| 217 | R | 68.6 | Low | 73.2 | Confident | 226 Ų | 226 | 77 Ų | 77 | 85% | 0.853 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -52.8 | -29.1 | 175.8 | -71.9 | -172.3 | 175.7 | 90.3 | -0.3 | 112.4 | V215 H221 | V215-R217 PolarHBondContact O-N 2.91Å; V215-R217 VanDerWaalsContact O-N 3.16Å; R217-H221 PolarHBondContact O-N 3Å; R217-H221 VanDerWaalsContact O-N 3.16Å |
| 218 | S | 74.9 | Confident | 74 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 174.9 | 51 | 0 | 0 | 0 | 0 | 112.9 | D216 H221 V222 | D216-S218 PolarHBondContact O-N 2.72Å; S218-H221 WeakPolarHBondContact O-CB 3.37Å; S218-H221 PolarHBondContact O-N 3.28Å; S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.49Å |
| 219 | K | 78.4 | Confident | 74.9 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 32% | 0.317 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 178.6 | -69 | 178.5 | -177 | 147.5 | 0 | 112 | T203 A206 L207 D216 H221 V222 L223 | T203-K219 WeakPolarHBondContact CG2-O 3.11Å; A206-K219 HydrophobicContact CB-CD 4.33Å; L207-K219 HydrophobicContact CD1-CB 4.41Å; L207-K219 HydrophobicContact CD2-CB 3.78Å; L207-K219 HydrophobicContact CG-CB 4.16Å; D216-K219 HydrophobicContact CB-CB 4.18Å; D216-K219 HydrophobicContact CB-CD 3.96Å; D216-K219 HydrophobicContact CB-CG 3.9Å; D216-K219 PolarHBondContact O-N 3.2Å; D216-K219 VanDerWaalsContact OD2-CE 3.31Å; D216-K219 WeakPolarHBondContact OD2-CE 3.4Å; D216-K219 IonicContact OD2-NZ 3.56Å; D216-K219 PolarHBondContact OD2-NZ 3.03Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.26Å; K219-V222 PolarHBondContact O-N 2.68Å; K219-L223 PolarHBondContact O-N 3.26Å |
| 220 | L | 79.6 | Confident | 76 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 172.4 | -174.5 | 67.8 | 0 | 0 | 0 | 111.4 | D216 L223 L224 I313 | D216-L220 PolarHBondContact O-N 3.45Å; L220-L223 PolarHBondContact O-N 3.48Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.3Å; L220-I313 HydrophobicContact CD1-CG2 4.35Å |
| 221 | H | 81.9 | Confident | 77.6 | Confident | 122 Ų | 122 | 76 Ų | 76 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 176.5 | -172.2 | 62.6 | 0 | 0 | 0 | 112.3 | R217 S218 K219 L223 L224 Q225 | R217-H221 PolarHBondContact O-N 3Å; R217-H221 VanDerWaalsContact O-N 3.16Å; S218-H221 WeakPolarHBondContact O-CB 3.37Å; S218-H221 PolarHBondContact O-N 3.28Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.26Å; H221-L223 VanDerWaalsContact C-N 3.35Å; H221-L224 PolarHBondContact O-N 3.41Å; H221-Q225 WeakPolarHBondContact O-CB 3.45Å; H221-Q225 PolarHBondContact O-N 3.12Å |
| 222 | V | 86.1 | Confident | 79.3 | Confident | 59 Ų | 59 | 72 Ų | 72 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | S218 K219 L224 Q225 N226 | S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.49Å; K219-V222 PolarHBondContact O-N 2.68Å; V222-L224 PolarHBondContact O-N 3.09Å; V222-Q225 PolarHBondContact O-N 2.92Å; V222-N226 WeakPolarHBondContact O-CB 3.5Å; V222-N226 VanDerWaalsContact O-CG 3.25Å; V222-N226 PolarHBondContact O-N 3.4Å |
| 223 | L | 86.8 | Confident | 81.2 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.6 | -176 | 66.4 | 0 | 0 | 0 | 111.9 | T203 L204 L207 K219 L220 H221 Q225 N226 G227 I306 I313 | T203-L223 HydrophobicContact CG2-CB 3.94Å; T203-L223 HydrophobicContact CG2-CD1 4.37Å; L204-L223 HydrophobicContact CD2-CD1 3.5Å; L204-L223 HydrophobicContact CD2-CD2 3.69Å; L204-L223 HydrophobicContact CD2-CG 4.26Å; L204-L223 HydrophobicContact CG-CD1 3.96Å; L207-L223 HydrophobicContact CD1-CB 4.2Å; L207-L223 HydrophobicContact CD1-CD2 3.91Å; K219-L223 PolarHBondContact O-N 3.26Å; L220-L223 PolarHBondContact O-N 3.48Å; H221-L223 VanDerWaalsContact C-N 3.35Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 3.44Å; L223-N226 PolarHBondContact O-N 3.25Å; L223-G227 PolarHBondContact O-N 3.02Å; L223-I306 HydrophobicContact CD1-CG1 4.41Å; L223-I313 HydrophobicContact CD2-CD1 4.04Å |
| 224 | L | 85.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 177 | -69.7 | 173.6 | 0 | 0 | 0 | 112.1 | L220 H221 V222 G227 K228 | L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.3Å; H221-L224 PolarHBondContact O-N 3.41Å; V222-L224 PolarHBondContact O-N 3.09Å; L224-G227 PolarHBondContact O-N 3.46Å; L224-K228 PolarHBondContact O-N 3.04Å |
| 225 | Q | 89.6 | Confident | 85.1 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 176 | -176.5 | 173.8 | -6.2 | 0 | 0 | 111.3 | H221 V222 L223 G227 K228 S229 | H221-Q225 WeakPolarHBondContact O-CB 3.45Å; H221-Q225 PolarHBondContact O-N 3.12Å; V222-Q225 PolarHBondContact O-N 2.92Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 3.44Å; Q225-G227 VanDerWaalsContact C-N 3.31Å; Q225-G227 PolarHBondContact O-N 3.32Å; Q225-K228 WeakPolarHBondContact O-CB 3.42Å; Q225-K228 PolarHBondContact O-N 3.25Å; Q225-S229 PolarHBondContact O-N 3.43Å; Q225-S229 PolarHBondContact O-OG 3.13Å |
| 226 | N | 89.3 | Confident | 86.6 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.4 | -68.2 | -14.4 | 0 | 0 | 0 | 111.5 | I200 V222 L223 K228 S229 L230 | I200-N226 HydrophobicContact CD1-CB 4.17Å; I200-N226 HydrophobicContact CG1-CB 3.68Å; V222-N226 WeakPolarHBondContact O-CB 3.5Å; V222-N226 VanDerWaalsContact O-CG 3.25Å; V222-N226 PolarHBondContact O-N 3.4Å; L223-N226 PolarHBondContact O-N 3.25Å; N226-K228 VanDerWaalsContact C-N 3.35Å; N226-S229 PolarHBondContact O-N 3.23Å; N226-L230 WeakPolarHBondContact O-CB 3.38Å; N226-L230 PolarHBondContact O-N 3.28Å |
| 227 | G | 90.5 | Very high | 88.1 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L223 L224 Q225 S231 | L223-G227 PolarHBondContact O-N 3.02Å; L224-G227 PolarHBondContact O-N 3.46Å; Q225-G227 VanDerWaalsContact C-N 3.31Å; Q225-G227 PolarHBondContact O-N 3.32Å; G227-S231 PolarHBondContact O-N 3.06Å; G227-S231 PolarHBondContact O-OG 3.24Å |
| 228 | K | 91.8 | Very high | 89.4 | Confident | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.1 | -48.2 | 171 | -171.7 | -175.5 | -178.3 | -94.9 | 0 | 111 | L224 Q225 N226 L230 S231 E232 | L224-K228 PolarHBondContact O-N 3.04Å; Q225-K228 WeakPolarHBondContact O-CB 3.42Å; Q225-K228 PolarHBondContact O-N 3.25Å; N226-K228 VanDerWaalsContact C-N 3.35Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.33Å; K228-S231 WeakPolarHBondContact O-CB 3.33Å; K228-S231 PolarHBondContact O-N 3.3Å; K228-S231 VanDerWaalsContact O-N 3.09Å; K228-E232 IonicContact NZ-OE1 3.63Å; K228-E232 PolarHBondContact NZ-OE1 2.92Å; K228-E232 WeakPolarHBondContact O-CG 3.36Å; K228-E232 PolarHBondContact O-N 2.7Å |
| 229 | S | 93.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 177.9 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | Q225 N226 E232 L233 | Q225-S229 PolarHBondContact O-N 3.43Å; Q225-S229 PolarHBondContact O-OG 3.13Å; N226-S229 PolarHBondContact O-N 3.23Å; S229-E232 PolarHBondContact O-N 2.98Å; S229-L233 PolarHBondContact O-N 3.32Å |
| 230 | L | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 171.3 | -177.6 | 62.9 | 0 | 0 | 0 | 111.5 | L193 I200 N226 K228 E232 L233 E234 A299 L302 R303 I306 | L193-L230 HydrophobicContact CD1-CD1 4.14Å; I200-L230 HydrophobicContact CD1-CB 4.43Å; I200-L230 HydrophobicContact CD1-CD2 4.28Å; N226-L230 WeakPolarHBondContact O-CB 3.38Å; N226-L230 PolarHBondContact O-N 3.28Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.33Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.46Å; L230-L233 PolarHBondContact O-N 2.86Å; L230-E234 WeakPolarHBondContact O-CG 3.34Å; L230-E234 PolarHBondContact O-N 2.83Å; L230-A299 HydrophobicContact CD1-CB 4.09Å; L230-L302 HydrophobicContact CD1-CD2 4.16Å; L230-L302 HydrophobicContact CD2-CB 4.14Å; L230-L302 HydrophobicContact CD2-CD2 4.13Å; L230-L302 HydrophobicContact CD2-CG 3.97Å; L230-R303 HydrophobicContact CD2-CB 4.03Å; L230-I306 HydrophobicContact CD2-CD1 3.74Å |
| 231 | S | 94.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | G227 K228 T235 R303 | G227-S231 PolarHBondContact O-N 3.06Å; G227-S231 PolarHBondContact O-OG 3.24Å; K228-S231 WeakPolarHBondContact O-CB 3.33Å; K228-S231 PolarHBondContact O-N 3.3Å; K228-S231 VanDerWaalsContact O-N 3.09Å; S231-T235 PolarHBondContact O-N 3.08Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 2.94Å; S231-R303 PolarHBondContact OG-NH1 2.88Å |
| 232 | E | 93.8 | Very high | 92.3 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63 | -47.5 | 173.7 | -71.5 | 169.5 | -179.1 | 0 | 0 | 110 | K228 S229 L230 E234 T235 D236 | K228-E232 IonicContact NZ-OE1 3.63Å; K228-E232 PolarHBondContact NZ-OE1 2.92Å; K228-E232 WeakPolarHBondContact O-CG 3.36Å; K228-E232 PolarHBondContact O-N 2.7Å; S229-E232 PolarHBondContact O-N 2.98Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.46Å; E232-E234 PolarHBondContact O-N 2.77Å; E232-T235 WeakPolarHBondContact O-CB 3.46Å; E232-T235 PolarHBondContact O-N 2.95Å; E232-T235 VanDerWaalsContact O-N 3.13Å; E232-D236 PolarHBondContact O-N 3.08Å |
| 233 | L | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 176 | 178.7 | 63 | 0 | 0 | 0 | 113 | L189 K192 L193 L196 S229 L230 T235 D236 I237 | L189-L233 HydrophobicContact CB-CD1 4.27Å; L189-L233 HydrophobicContact CD2-CD1 3.72Å; K192-L233 HydrophobicContact CB-CD1 3.93Å; K192-L233 HydrophobicContact CB-CD2 4.18Å; K192-L233 HydrophobicContact CD-CD1 3.99Å; L193-L233 HydrophobicContact CB-CD2 3.85Å; L193-L233 HydrophobicContact CD1-CD2 4Å; L196-L233 HydrophobicContact CD1-CD2 4.27Å; S229-L233 PolarHBondContact O-N 3.32Å; L230-L233 PolarHBondContact O-N 2.86Å; L233-T235 PolarHBondContact O-N 3.12Å; L233-D236 PolarHBondContact O-N 3Å; L233-I237 HydrophobicContact CD1-CD1 4.09Å; L233-I237 HydrophobicContact CD1-CG1 4.25Å; L233-I237 HydrophobicContact CG-CD1 3.89Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.22Å |
| 234 | E | 94.6 | Very high | 93 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 174.4 | -75.6 | 177.3 | 144.8 | 0 | 0 | 111.2 | L230 E232 K238 A299 R303 | L230-E234 WeakPolarHBondContact O-CG 3.34Å; L230-E234 PolarHBondContact O-N 2.83Å; E232-E234 PolarHBondContact O-N 2.77Å; E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-A299 HydrophobicContact CG-CB 4.02Å; E234-R303 VanDerWaalsContact OE1-CB 3.27Å; E234-R303 WeakPolarHBondContact OE1-CB 3.5Å; E234-R303 IonicContact OE2-NH1 3.77Å; E234-R303 PolarHBondContact OE2-NH1 3.18Å |
| 235 | T | 94.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 45% | 0.454 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -43.1 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 111 | S231 E232 L233 K238 I239 | S231-T235 PolarHBondContact O-N 3.08Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 2.94Å; E232-T235 WeakPolarHBondContact O-CB 3.46Å; E232-T235 PolarHBondContact O-N 2.95Å; E232-T235 VanDerWaalsContact O-N 3.13Å; L233-T235 PolarHBondContact O-N 3.12Å; T235-K238 PolarHBondContact O-N 3.32Å; T235-I239 HydrophobicContact CG2-CD1 3.84Å; T235-I239 HydrophobicContact CG2-CG1 4.4Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.43Å; T235-I239 PolarHBondContact O-N 2.87Å |
| 236 | D | 93.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 176.9 | -69.5 | -14.9 | 0 | 0 | 0 | 111.7 | L189 K192 E232 L233 K238 I239 F240 | L189-D236 HydrophobicContact CD2-CB 3.92Å; K192-D236 IonicContact NZ-OD2 2.97Å; K192-D236 PolarHBondContact NZ-OD2 3.47Å; E232-D236 PolarHBondContact O-N 3.08Å; L233-D236 PolarHBondContact O-N 3Å; D236-K238 VanDerWaalsContact C-N 3.35Å; D236-I239 PolarHBondContact O-N 3.24Å; D236-F240 WeakPolarHBondContact O-CB 3.37Å; D236-F240 PolarHBondContact O-N 2.99Å |
| 237 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.9 | -64.7 | 162.5 | 0 | 0 | 0 | 110.1 | L189 L233 F240 K241 A292 L295 A299 | L189-I237 HydrophobicContact CB-CG1 4.45Å; L189-I237 HydrophobicContact CD1-CG1 4Å; L189-I237 HydrophobicContact CD2-CG1 4.27Å; L189-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 HydrophobicContact CD1-CD1 4.09Å; L233-I237 HydrophobicContact CD1-CG1 4.25Å; L233-I237 HydrophobicContact CG-CD1 3.89Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.22Å; I237-F240 PolarHBondContact O-N 3.26Å; I237-K241 HydrophobicContact CG2-CD 3.96Å; I237-K241 HydrophobicContact CG2-CG 4.4Å; I237-K241 WeakPolarHBondContact O-CG 3.46Å; I237-K241 PolarHBondContact O-N 3.02Å; I237-A292 WeakPolarHBondContact CG2-O 3.38Å; I237-L295 HydrophobicContact CD1-CD2 3.85Å; I237-L295 HydrophobicContact CD1-CG 3.8Å; I237-L295 HydrophobicContact CG1-CD2 4.07Å; I237-L295 HydrophobicContact CG1-CG 4.48Å; I237-A299 HydrophobicContact CD1-CB 4.35Å |
| 238 | K | 95.1 | Very high | 93.7 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 179.1 | 179.7 | 179.9 | 170.6 | -178.2 | 0 | 111.7 | E234 T235 D236 F240 K241 E242 | E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; T235-K238 PolarHBondContact O-N 3.32Å; D236-K238 VanDerWaalsContact C-N 3.35Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.84Å; K238-K241 PolarHBondContact O-N 2.85Å; K238-E242 WeakPolarHBondContact CE-OE1 3.44Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 3.65Å; K238-E242 WeakPolarHBondContact O-CG 3.47Å; K238-E242 PolarHBondContact O-N 3.37Å |
| 239 | I | 94.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.8 | -69.5 | 167.8 | 0 | 0 | 0 | 110.1 | M113 T235 D236 E242 S243 | M113-I239 HydrophobicContact CB-CG2 3.52Å; M113-I239 HydrophobicContact CG-CG2 4.38Å; T235-I239 HydrophobicContact CG2-CD1 3.84Å; T235-I239 HydrophobicContact CG2-CG1 4.4Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.43Å; T235-I239 PolarHBondContact O-N 2.87Å; D236-I239 PolarHBondContact O-N 3.24Å; I239-E242 PolarHBondContact O-N 3.23Å; I239-S243 PolarHBondContact O-N 3.31Å; I239-S243 PolarHBondContact O-OG 3.46Å; I239-S243 VanDerWaalsContact O-OG 3.09Å |
| 240 | F | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 176 | 175.5 | -106.8 | 0 | 0 | 0 | 112.1 | M113 M126 L182 W185 I186 D236 I237 K238 E242 S243 I244 A292 | M113-F240 HydrophobicContact CE-CB 4.3Å; M113-F240 HydrophobicContact CE-CD2 3.97Å; M113-F240 HydrophobicContact SD-CD2 4.15Å; M126-F240 HydrophobicContact CE-CE2 4.48Å; L182-F240 HydrophobicContact CD2-CE2 3.66Å; L182-F240 HydrophobicContact CD2-CZ 3.74Å; W185-F240 AromaticContact CD1-CD2 3.3Å; W185-F240 AromaticContact CD1-CE2 3.55Å; W185-F240 AromaticContact CD1-CG 3.65Å; W185-F240 HydrophobicContact CG-CD2 4.44Å; W185-F240 HydrophobicContact CG-CE2 4.49Å; W185-F240 AromaticContact NE1-CD2 3.51Å; W185-F240 AromaticContact NE1-CG 3.59Å; I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CE1 3.66Å; I186-F240 HydrophobicContact CD1-CZ 4.29Å; I186-F240 HydrophobicContact CG1-CE1 4.44Å; D236-F240 WeakPolarHBondContact O-CB 3.37Å; D236-F240 PolarHBondContact O-N 2.99Å; I237-F240 PolarHBondContact O-N 3.26Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.84Å; F240-E242 PolarHBondContact O-N 3.4Å; F240-S243 PolarHBondContact O-N 3.43Å; F240-I244 HydrophobicContact CD2-CG1 4.33Å; F240-I244 HydrophobicContact CE1-CG1 4.1Å; F240-I244 HydrophobicContact CE2-CD1 3.98Å; F240-I244 HydrophobicContact CE2-CG1 3.88Å; F240-I244 HydrophobicContact CZ-CD1 4.05Å; F240-I244 HydrophobicContact CZ-CG1 3.77Å; F240-I244 WeakPolarHBondContact O-CG1 3.44Å; F240-I244 PolarHBondContact O-N 3.42Å; F240-A292 HydrophobicContact CD1-CB 3.7Å; F240-A292 HydrophobicContact CE1-CB 3.74Å |
| 241 | K | 94.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.3 | -72.9 | 171.7 | 65.1 | -172.9 | 0 | 112.4 | I237 K238 S243 I244 L245 Y289 A292 E293 | I237-K241 HydrophobicContact CG2-CD 3.96Å; I237-K241 HydrophobicContact CG2-CG 4.4Å; I237-K241 WeakPolarHBondContact O-CG 3.46Å; I237-K241 PolarHBondContact O-N 3.02Å; K238-K241 PolarHBondContact O-N 2.85Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.47Å; K241-I244 PolarHBondContact O-N 2.95Å; K241-L245 WeakPolarHBondContact O-CG 3.28Å; K241-L245 PolarHBondContact O-N 3.49Å; K241-Y289 HydrophobicContact CB-CD2 4.38Å; K241-Y289 HydrophobicContact CB-CE2 4.11Å; K241-Y289 HydrophobicContact CG-CD2 4.44Å; K241-Y289 HydrophobicContact CG-CE2 4.34Å; K241-A292 HydrophobicContact CD-CB 4.25Å; K241-A292 HydrophobicContact CG-CB 3.64Å; K241-E293 WeakPolarHBondContact CE-OE2 3.25Å; K241-E293 IonicContact NZ-OE1 2.95Å; K241-E293 PolarHBondContact NZ-OE1 3.49Å; K241-E293 IonicContact NZ-OE2 2.59Å; K241-E293 PolarHBondContact NZ-OE2 3.21Å |
| 242 | E | 94.2 | Very high | 92.8 | Very high | 87 Ų | 87 | 62 Ų | 62 | 41% | 0.407 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -44 | 177.1 | -73.5 | 175.7 | 168.4 | 0 | 0 | 110.6 | K238 I239 F240 I244 L245 E246 | K238-E242 WeakPolarHBondContact CE-OE1 3.44Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 3.65Å; K238-E242 WeakPolarHBondContact O-CG 3.47Å; K238-E242 PolarHBondContact O-N 3.37Å; I239-E242 PolarHBondContact O-N 3.23Å; F240-E242 PolarHBondContact O-N 3.4Å; E242-I244 PolarHBondContact O-N 3.3Å; E242-L245 PolarHBondContact O-N 2.93Å; E242-E246 WeakPolarHBondContact O-CG 3.35Å; E242-E246 PolarHBondContact O-N 2.94Å |
| 243 | S | 92.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 114 | M113 I239 F240 K241 L247 | M113-S243 VanDerWaalsContact CG-OG 3.31Å; M113-S243 WeakPolarHBondContact CG-OG 3.15Å; I239-S243 PolarHBondContact O-N 3.31Å; I239-S243 PolarHBondContact O-OG 3.46Å; I239-S243 VanDerWaalsContact O-OG 3.09Å; F240-S243 PolarHBondContact O-N 3.43Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.47Å; S243-L247 WeakPolarHBondContact O-CG 3.39Å; S243-L247 PolarHBondContact O-N 3.26Å |
| 244 | I | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.1 | -39.1 | 175.7 | -62.2 | -65.9 | 0 | 0 | 0 | 110.9 | I115 L182 F240 K241 E242 L247 L248 L285 | I115-I244 HydrophobicContact CD1-CD1 3.96Å; L182-I244 HydrophobicContact CD2-CD1 3.84Å; F240-I244 HydrophobicContact CD2-CG1 4.33Å; F240-I244 HydrophobicContact CE1-CG1 4.1Å; F240-I244 HydrophobicContact CE2-CD1 3.98Å; F240-I244 HydrophobicContact CE2-CG1 3.88Å; F240-I244 HydrophobicContact CZ-CD1 4.05Å; F240-I244 HydrophobicContact CZ-CG1 3.77Å; F240-I244 WeakPolarHBondContact O-CG1 3.44Å; F240-I244 PolarHBondContact O-N 3.42Å; K241-I244 PolarHBondContact O-N 2.95Å; E242-I244 PolarHBondContact O-N 3.3Å; I244-L247 HydrophobicContact CD1-CD1 4.43Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.02Å; I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.27Å; I244-L285 HydrophobicContact CD1-CD2 4.22Å; I244-L285 HydrophobicContact CG2-CB 4.27Å |
| 245 | L | 94.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 29% | 0.293 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.8 | -75.6 | 172.5 | 0 | 0 | 0 | 112 | K241 E242 L247 L248 D249 Y289 | K241-L245 WeakPolarHBondContact O-CG 3.28Å; K241-L245 PolarHBondContact O-N 3.49Å; E242-L245 PolarHBondContact O-N 2.93Å; L245-L247 PolarHBondContact O-N 3.24Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-L248 VanDerWaalsContact O-N 3.07Å; L245-D249 WeakPolarHBondContact O-CB 3.4Å; L245-D249 VanDerWaalsContact O-CG 3.23Å; L245-D249 PolarHBondContact O-N 3.49Å; L245-Y289 HydrophobicContact CD1-CE2 3.6Å; L245-Y289 HydrophobicContact CD2-CD2 4.01Å; L245-Y289 HydrophobicContact CD2-CE1 4.4Å; L245-Y289 HydrophobicContact CD2-CE2 3.55Å; L245-Y289 HydrophobicContact CG-CD2 3.9Å; L245-Y289 HydrophobicContact CG-CE2 3.39Å |
| 246 | E | 92.6 | Very high | 91.3 | Very high | 125 Ų | 125 | 61 Ų | 61 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.5 | -34 | 175.1 | -75.4 | 173.3 | -177 | 0 | 0 | 112.3 | E242 | E242-E246 WeakPolarHBondContact O-CG 3.35Å; E242-E246 PolarHBondContact O-N 2.94Å |
| 247 | L | 91.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.7 | -39.5 | 174.6 | -63.9 | 172.3 | 0 | 0 | 0 | 113 | I115 S243 I244 L245 D249 M253 L257 L285 | I115-L247 HydrophobicContact CB-CD1 3.81Å; I115-L247 HydrophobicContact CB-CD2 4.32Å; I115-L247 HydrophobicContact CD1-CD1 3.74Å; I115-L247 HydrophobicContact CG1-CD1 4.37Å; I115-L247 HydrophobicContact CG2-CD1 3.73Å; I115-L247 HydrophobicContact CG2-CD2 4.15Å; S243-L247 WeakPolarHBondContact O-CG 3.39Å; S243-L247 PolarHBondContact O-N 3.26Å; I244-L247 HydrophobicContact CD1-CD1 4.43Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.02Å; L245-L247 PolarHBondContact O-N 3.24Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-M253 HydrophobicContact CD2-CE 4.04Å; L247-L257 HydrophobicContact CD1-CD1 4.48Å; L247-L285 HydrophobicContact CB-CD1 4.28Å; L247-L285 HydrophobicContact CD1-CD1 4.36Å |
| 248 | L | 91.6 | Very high | 90.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -30.8 | 179.6 | -72.6 | 171.2 | 0 | 0 | 0 | 111.9 | I244 L245 E282 L285 E286 | I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.27Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-L248 VanDerWaalsContact O-N 3.07Å; L248-E282 HydrophobicContact CD2-CB 4.47Å; L248-E282 HydrophobicContact CD2-CG 3.62Å; L248-L285 HydrophobicContact CD2-CB 3.74Å; L248-L285 HydrophobicContact CD2-CD1 4.38Å; L248-L285 HydrophobicContact CG-CB 4.23Å; L248-E286 HydrophobicContact CD1-CG 4.13Å; L248-E286 HydrophobicContact CD2-CG 4.01Å |
| 249 | D | 91.3 | Very high | 89.6 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -74.8 | -23.3 | -179.4 | -73 | -23.7 | 0 | 0 | 0 | 112.9 | L245 L247 | L245-D249 WeakPolarHBondContact O-CB 3.4Å; L245-D249 VanDerWaalsContact O-CG 3.23Å; L245-D249 PolarHBondContact O-N 3.49Å; L247-D249 VanDerWaalsContact C-N 3.33Å |
| 250 | E | 90.9 | Very high | 88.4 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | trans | -109.9 | 96 | -176.4 | -67.1 | -173.9 | -171.4 | 0 | 0 | 111.9 | E252 M253 L254 | E250-E252 PolarHBondContact O-N 3.32Å; E250-E252 VanDerWaalsContact O-N 3.13Å; E250-M253 HydrophobicContact CB-CB 3.99Å; E250-M253 HydrophobicContact CB-CG 3.72Å; E250-M253 WeakPolarHBondContact O-CB 3.47Å; E250-M253 PolarHBondContact O-N 2.91Å; E250-M253 WeakPolarHBondContact OE2-CG 3.44Å; E250-L254 PolarHBondContact O-N 3.42Å | ||
| 251 | E | 86.1 | Confident | 87 | Confident | 157 Ų | 157 | 56.4 Ų | 56.4 | 73% | 0.734 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -52.8 | -36.4 | 178.1 | -68.4 | 177.7 | -175.4 | 0 | 0 | 113.1 | M253 L254 E255 | E251-M253 PolarHBondContact O-N 3.31Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.49Å; E251-E255 PolarHBondContact O-N 3.07Å |
| 252 | E | 87.1 | Confident | 85.1 | Confident | 149 Ų | 149 | 62.3 Ų | 62.3 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 177.3 | -174 | 174.5 | -168.7 | 0 | 0 | 111.8 | E250 L254 E255 E256 | E250-E252 PolarHBondContact O-N 3.32Å; E250-E252 VanDerWaalsContact O-N 3.13Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-E255 PolarHBondContact O-N 3.19Å; E252-E256 WeakPolarHBondContact O-CG 3.41Å; E252-E256 PolarHBondContact O-N 2.98Å |
| 253 | M | 85.8 | Confident | 83.3 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.4 | -68.3 | -69.8 | -66.4 | 0 | 0 | 111.2 | L247 E250 E251 E256 L257 | L247-M253 HydrophobicContact CD2-CE 4.04Å; E250-M253 HydrophobicContact CB-CB 3.99Å; E250-M253 HydrophobicContact CB-CG 3.72Å; E250-M253 WeakPolarHBondContact O-CB 3.47Å; E250-M253 PolarHBondContact O-N 2.91Å; E250-M253 WeakPolarHBondContact OE2-CG 3.44Å; E251-M253 PolarHBondContact O-N 3.31Å; M253-E256 PolarHBondContact O-N 3.26Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.45Å |
| 254 | L | 87 | Confident | 81.5 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 177.3 | -170.9 | 68.6 | 0 | 0 | 0 | 111.9 | E250 E251 E252 E256 L257 A278 M281 E282 L285 | E250-L254 PolarHBondContact O-N 3.42Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.49Å; E252-L254 VanDerWaalsContact C-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3Å; L254-L257 HydrophobicContact CD1-CD1 4.45Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 2.93Å; L254-A278 HydrophobicContact CD2-CB 4.25Å; L254-A278 WeakPolarHBondContact CD2-O 3.37Å; L254-A278 HydrophobicContact CG-CB 4.42Å; L254-M281 HydrophobicContact CD1-CB 3.78Å; L254-M281 HydrophobicContact CD1-CG 3.49Å; L254-M281 VanDerWaalsContact CD1-CG 3.49Å; L254-M281 HydrophobicContact CG-CB 4.44Å; L254-M281 HydrophobicContact CG-CG 4.5Å; L254-E282 HydrophobicContact CD2-CB 3.8Å; L254-E282 HydrophobicContact CD2-CG 4.18Å; L254-L285 HydrophobicContact CD1-CD1 3.95Å |
| 255 | E | 85.5 | Confident | 79.5 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 173.3 | -73.1 | -163.3 | -160.7 | 0 | 0 | 112.8 | E251 E252 L257 C258 K261 W262 A278 | E251-E255 PolarHBondContact O-N 3.07Å; E252-E255 PolarHBondContact O-N 3.19Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.31Å; E255-C258 PolarHBondContact O-N 2.96Å; E255-K261 IonicContact OE1-NZ 2.91Å; E255-K261 IonicContact OE2-NZ 3.34Å; E255-K261 PolarHBondContact OE2-NZ 3.43Å; E255-W262 PolarHBondContact O-NE1 3.41Å; E255-A278 HydrophobicContact CG-CB 4.42Å |
| 256 | E | 86.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 74 Ų | 74 | 33% | 0.327 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.9 | -23.7 | 176.5 | -74.4 | -169.3 | 171.7 | 0 | 0 | 113.3 | T117 E252 M253 L254 C258 L259 | T117-E256 VanDerWaalsContact CB-OE2 3.28Å; T117-E256 WeakPolarHBondContact CB-OE2 3.49Å; T117-E256 HydrophobicContact CG2-CB 3.87Å; T117-E256 WeakPolarHBondContact CG2-O 3.48Å; T117-E256 WeakPolarHBondContact OG1-CB 3.29Å; T117-E256 PolarHBondContact OG1-OE2 3.13Å; E252-E256 WeakPolarHBondContact O-CG 3.41Å; E252-E256 PolarHBondContact O-N 2.98Å; M253-E256 PolarHBondContact O-N 3.26Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3Å; E256-C258 VanDerWaalsContact C-N 3.26Å; E256-L259 WeakPolarHBondContact O-CD2 3.32Å |
| 257 | L | 85.4 | Confident | 75.3 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.1 | -24.8 | 172.8 | -70.1 | 169.5 | 0 | 0 | 0 | 111.9 | I115 T117 I122 I178 L247 M253 L254 E255 L259 M281 L285 | I115-L257 HydrophobicContact CG2-CD2 4.04Å; T117-L257 HydrophobicContact CG2-CD2 3.59Å; T117-L257 HydrophobicContact CG2-CG 3.96Å; I122-L257 HydrophobicContact CD1-CD2 4.16Å; I122-L257 HydrophobicContact CG1-CD2 4Å; I122-L257 HydrophobicContact CG2-CD2 3.81Å; I178-L257 HydrophobicContact CD1-CD2 4.34Å; L247-L257 HydrophobicContact CD1-CD1 4.48Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.45Å; L254-L257 HydrophobicContact CD1-CD1 4.45Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 2.93Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.31Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.17Å; L257-M281 HydrophobicContact CB-CE 4.31Å; L257-M281 HydrophobicContact CB-CG 4.36Å; L257-M281 HydrophobicContact CD1-CG 4.29Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å |
| 258 | C | 83.4 | Confident | 73.2 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | trans | -81.7 | 71.6 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | E255 E256 T260 K261 | E255-C258 PolarHBondContact O-N 2.96Å; E256-C258 VanDerWaalsContact C-N 3.26Å; C258-T260 VanDerWaalsContact C-N 3.25Å; C258-T260 PolarHBondContact O-N 3.07Å; C258-K261 HydrophobicContact CB-CB 4.33Å; C258-K261 WeakPolarHBondContact O-CB 3.28Å; C258-K261 PolarHBondContact O-N 2.91Å | ||
| 259 | L | 78.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28 | -172.4 | -54.5 | -176.6 | 0 | 0 | 0 | 114.5 | N120 I122 P135 E174 E256 L257 K261 W262 S263 | N120-L259 VanDerWaalsContact C-CD2 3.47Å; N120-L259 WeakPolarHBondContact OD1-CD2 3.43Å; N120-L259 PolarHBondContact OD1-O 2.95Å; I122-L259 HydrophobicContact CD1-CD1 3.87Å; I122-L259 HydrophobicContact CD1-CD2 4.42Å; I122-L259 HydrophobicContact CD1-CG 3.95Å; I122-L259 HydrophobicContact CG1-CD1 3.99Å; I122-L259 HydrophobicContact CG1-CD2 4.05Å; I122-L259 HydrophobicContact CG1-CG 4.1Å; P135-L259 HydrophobicContact CG-CB 3.91Å; P135-L259 HydrophobicContact CG-CD1 4.39Å; E174-L259 HydrophobicContact CB-CD1 4.36Å; E174-L259 HydrophobicContact CB-CG 4.41Å; E174-L259 HydrophobicContact CG-CB 4.42Å; E174-L259 PolarHBondContact OE1-N 3.01Å; E256-L259 WeakPolarHBondContact O-CD2 3.32Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.17Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-W262 PolarHBondContact O-N 3.09Å; L259-S263 PolarHBondContact O-N 2.8Å; L259-S263 PolarHBondContact O-OG 2.92Å |
| 260 | T | 70.4 | Confident | 68.9 | Low | 47 Ų | 47 | 85.4 Ų | 85.4 | 29% | 0.288 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.1 | 176.1 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | P172 E174 C258 W262 S263 D264 | P172-T260 HydrophobicContact CB-CG2 3.99Å; E174-T260 VanDerWaalsContact OE1-CB 3.28Å; E174-T260 WeakPolarHBondContact OE1-CB 3.38Å; E174-T260 WeakPolarHBondContact OE1-CG2 3.49Å; E174-T260 PolarHBondContact OE1-N 3.13Å; E174-T260 PolarHBondContact OE1-OG1 2.9Å; C258-T260 VanDerWaalsContact C-N 3.25Å; C258-T260 PolarHBondContact O-N 3.07Å; T260-W262 PolarHBondContact O-N 2.92Å; T260-S263 PolarHBondContact O-N 2.97Å; T260-S263 VanDerWaalsContact O-N 3.14Å; T260-D264 PolarHBondContact O-N 3.06Å |
| 261 | K | 63.9 | Low | 66.7 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 24% | 0.235 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.8 | 174.6 | -171 | 179.9 | -178.1 | 178 | 0 | 111.7 | E255 C258 L259 F268 | E255-K261 IonicContact OE1-NZ 2.91Å; E255-K261 IonicContact OE2-NZ 3.34Å; E255-K261 PolarHBondContact OE2-NZ 3.43Å; C258-K261 HydrophobicContact CB-CB 4.33Å; C258-K261 WeakPolarHBondContact O-CB 3.28Å; C258-K261 PolarHBondContact O-N 2.91Å; L259-K261 VanDerWaalsContact C-N 3.32Å; K261-F268 HydrophobicContact CG-CD2 4.46Å; K261-F268 HydrophobicContact CG-CE2 4.46Å |
| 262 | W | 54.6 | Low | 64.7 | Low | 151 Ų | 151 | 83.2 Ų | 83.2 | 57% | 0.572 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -11.1 | -176.8 | -57.1 | 99.8 | 0 | 0 | 0 | 114 | E255 L259 T260 | E255-W262 PolarHBondContact O-NE1 3.41Å; L259-W262 PolarHBondContact O-N 3.09Å; T260-W262 PolarHBondContact O-N 2.92Å |
| 263 | S | 56.4 | Low | 62.7 | Low | 62 Ų | 62 | 82.5 Ų | 82.5 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -26 | -173 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | N120 L259 T260 | N120-S263 PolarHBondContact ND2-OG 3.48Å; L259-S263 PolarHBondContact O-N 2.8Å; L259-S263 PolarHBondContact O-OG 2.92Å; T260-S263 PolarHBondContact O-N 2.97Å; T260-S263 VanDerWaalsContact O-N 3.14Å |
| 264 | D | 54.4 | Low | 61 | Low | 79 Ų | 79 | 83.9 Ų | 83.9 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | trans | -142.7 | 100.8 | 178.7 | -156 | -13.5 | 0 | 0 | 0 | 113.3 | T260 Q266 V267 | T260-D264 PolarHBondContact O-N 3.06Å; D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.15Å; D264-Q266 PolarHBondContact OD1-N 3.42Å; D264-V267 HydrophobicContact CB-CB 4.43Å; D264-V267 HydrophobicContact CB-CG2 3.96Å; D264-V267 PolarHBondContact O-N 3.34Å | ||
| 265 | P | 52.4 | Low | 59.5 | Low | 103 Ų | 103 | 88.2 Ų | 88.2 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | 179.2 | -20 | 31 | 0 | 0 | 0 | 114.6 | F268 | P265-F268 VanDerWaalsContact O-CB 3.24Å; P265-F268 WeakPolarHBondContact O-CB 3.29Å |
| 266 | Q | 48.4 | Very low | 58.9 | Low | 159 Ų | 159 | 88.4 Ų | 88.4 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -16.8 | 180 | -65.8 | -155.9 | 21.3 | 0 | 0 | 113.8 | D264 F268 | D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.15Å; D264-Q266 PolarHBondContact OD1-N 3.42Å; Q266-F268 VanDerWaalsContact C-N 3.3Å |
| 267 | V | 50.4 | Low | 58.5 | Low | 50 Ų | 50 | 87.3 Ų | 87.3 | 30% | 0.303 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24.4 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | D264 E269 K270 R271 | D264-V267 HydrophobicContact CB-CB 4.43Å; D264-V267 HydrophobicContact CB-CG2 3.96Å; D264-V267 PolarHBondContact O-N 3.34Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.07Å; V267-K270 PolarHBondContact O-N 3.15Å; V267-R271 HydrophobicContact CG1-CG 4.28Å; V267-R271 PolarHBondContact O-N 3.42Å |
| 268 | F | 46 | Very low | 58.3 | Low | 131 Ų | 131 | 87.7 Ų | 87.7 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.5 | 176.7 | -168.2 | -99 | 0 | 0 | 0 | 114 | K261 P265 Q266 S272 | K261-F268 HydrophobicContact CG-CD2 4.46Å; K261-F268 HydrophobicContact CG-CE2 4.46Å; P265-F268 VanDerWaalsContact O-CB 3.24Å; P265-F268 WeakPolarHBondContact O-CB 3.29Å; Q266-F268 VanDerWaalsContact C-N 3.3Å; F268-S272 PolarHBondContact O-OG 3.48Å |
| 269 | E | 48.2 | Very low | 58.3 | Low | 167 Ų | 167 | 91.1 Ų | 91.1 | 78% | 0.78 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -18.7 | -175.1 | -121 | 179.6 | -177.6 | 0 | 0 | 113.5 | V267 S272 | V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.07Å; E269-S272 PolarHBondContact O-OG 3.43Å |
| 270 | K | 44.6 | Very low | 58.6 | Low | 183 Ų | 183 | 94 Ų | 94 | 80% | 0.796 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -11.6 | -170.9 | -134.3 | 169.6 | -171.5 | 170.3 | 0 | 114.1 | V267 | V267-K270 PolarHBondContact O-N 3.15Š|
| 271 | R | 45.9 | Very low | 59.4 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -115.2 | -3.7 | 177.8 | -70.4 | -174.8 | 180 | 163.8 | -2 | 114.4 | V267 T273 | V267-R271 HydrophobicContact CG1-CG 4.28Å; V267-R271 PolarHBondContact O-N 3.42Å; R271-T273 PolarHBondContact O-N 3.01Å |
| 272 | S | 44.1 | Very low | 60.7 | Low | 84 Ų | 84 | 92.4 Ų | 92.4 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | trans | -71.5 | 28.2 | 178.2 | 17.8 | 0 | 0 | 0 | 0 | 114.1 | F268 E269 | F268-S272 PolarHBondContact O-OG 3.48Å; E269-S272 PolarHBondContact O-OG 3.43Å | ||
| 273 | T | 44.3 | Very low | 62.4 | Low | 134 Ų | 134 | 90.2 Ų | 90.2 | 82% | 0.822 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -105 | 27.5 | -179.9 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | R271 | R271-T273 PolarHBondContact O-N 3.01Š|
| 274 | G | 49.3 | Very low | 64 | Low | 68 Ų | 68 | 88.3 Ų | 88.3 | 70% | 0.701 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 179.8 | -34.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 275 | I | 56.4 | Low | 65.9 | Low | 99 Ų | 99 | 84.6 Ų | 84.6 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | trans | -146.9 | 133.8 | -174.4 | -48.3 | 177.8 | 0 | 0 | 0 | 108.4 | D279 E280 | I275-D279 HydrophobicContact CG2-CB 4.21Å; I275-E280 HydrophobicContact CB-CG 4.47Å; I275-E280 HydrophobicContact CG2-CG 3.66Å | ||
| 276 | D | 73.6 | Confident | 67.9 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | trans | -70.3 | 137.2 | 172.1 | -161.1 | -21.5 | 0 | 0 | 0 | 109.1 | A278 D279 E280 | D276-A278 PolarHBondContact O-N 3.46Å; D276-A278 PolarHBondContact OD1-N 3.14Å; D276-D279 HydrophobicContact CB-CB 4.31Å; D276-D279 WeakPolarHBondContact CB-OD2 3.31Å; D276-D279 PolarHBondContact N-OD2 2.86Å; D276-D279 WeakPolarHBondContact O-CB 3.49Å; D276-D279 PolarHBondContact O-N 2.95Å; D276-E280 PolarHBondContact O-N 3.2Å; D276-E280 VanDerWaalsContact O-N 3.13Å | ||
| 277 | H | 76.5 | Confident | 70 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 22% | 0.218 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.4 | -26 | 174.4 | -70.3 | -51.4 | 0 | 0 | 0 | 111.3 | F175 E280 M281 | F175-H277 HydrophobicContact CZ-CB 4.31Å; F175-H277 WeakPolarHBondContact CZ-O 3.2Å; H277-E280 IonicContact ND1-OE2 2.78Å; H277-M281 PolarHBondContact O-N 3.49Å; H277-M281 VanDerWaalsContact O-N 3.12Å |
| 278 | A | 81.6 | Confident | 72.1 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L254 E255 D276 E280 M281 E282 | L254-A278 HydrophobicContact CD2-CB 4.25Å; L254-A278 WeakPolarHBondContact CD2-O 3.37Å; L254-A278 HydrophobicContact CG-CB 4.42Å; E255-A278 HydrophobicContact CG-CB 4.42Å; D276-A278 PolarHBondContact O-N 3.46Å; D276-A278 PolarHBondContact OD1-N 3.14Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 2.78Å; A278-M281 WeakPolarHBondContact O-CA 3.42Å; A278-M281 WeakPolarHBondContact O-CB 3.42Å; A278-M281 PolarHBondContact O-N 2.85Å; A278-E282 PolarHBondContact O-N 3.32Å |
| 279 | D | 84.9 | Confident | 74.5 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.8 | -55.8 | -21.9 | 0 | 0 | 0 | 111.8 | I275 D276 M281 E282 L283 | I275-D279 HydrophobicContact CG2-CB 4.21Å; D276-D279 HydrophobicContact CB-CB 4.31Å; D276-D279 WeakPolarHBondContact CB-OD2 3.31Å; D276-D279 PolarHBondContact N-OD2 2.86Å; D276-D279 WeakPolarHBondContact O-CB 3.49Å; D276-D279 PolarHBondContact O-N 2.95Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.22Å; D279-E282 WeakPolarHBondContact O-CB 3.39Å; D279-E282 PolarHBondContact O-N 3.38Å; D279-L283 VanDerWaalsContact O-CG 3.3Å; D279-L283 WeakPolarHBondContact O-CG 3.44Å; D279-L283 PolarHBondContact O-N 2.98Å |
| 280 | E | 84.4 | Confident | 76.8 | Confident | 59 Ų | 59 | 74 Ų | 74 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 175.9 | -68.1 | -176.7 | 169.1 | 0 | 0 | 112.1 | F175 I275 D276 H277 A278 L284 | F175-E280 HydrophobicContact CE1-CB 4.08Å; I275-E280 HydrophobicContact CB-CG 4.47Å; I275-E280 HydrophobicContact CG2-CG 3.66Å; D276-E280 PolarHBondContact O-N 3.2Å; D276-E280 VanDerWaalsContact O-N 3.13Å; H277-E280 IonicContact ND1-OE2 2.78Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 2.78Å; E280-L284 WeakPolarHBondContact O-CB 3.28Å; E280-L284 PolarHBondContact O-N 3.1Å; E280-L284 VanDerWaalsContact O-N 3.13Å |
| 281 | M | 86.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 176.6 | -176.1 | 62.6 | 73.8 | 0 | 0 | 110.5 | F175 I178 L254 L257 H277 A278 D279 L284 L285 | F175-M281 HydrophobicContact CD1-CE 3.63Å; F175-M281 HydrophobicContact CD1-SD 4.26Å; F175-M281 HydrophobicContact CD2-CE 3.9Å; F175-M281 HydrophobicContact CE1-CB 3.69Å; F175-M281 HydrophobicContact CE1-CE 3.6Å; F175-M281 HydrophobicContact CE1-CG 4.49Å; F175-M281 HydrophobicContact CE1-SD 4.24Å; F175-M281 HydrophobicContact CE2-CE 3.84Å; F175-M281 HydrophobicContact CG-CE 3.79Å; F175-M281 HydrophobicContact CZ-CB 4.04Å; F175-M281 HydrophobicContact CZ-CE 3.7Å; I178-M281 HydrophobicContact CD1-CE 3.59Å; I178-M281 HydrophobicContact CD1-SD 3.97Å; L254-M281 HydrophobicContact CD1-CB 3.78Å; L254-M281 HydrophobicContact CD1-CG 3.49Å; L254-M281 VanDerWaalsContact CD1-CG 3.49Å; L254-M281 HydrophobicContact CG-CB 4.44Å; L254-M281 HydrophobicContact CG-CG 4.5Å; L257-M281 HydrophobicContact CB-CE 4.31Å; L257-M281 HydrophobicContact CB-CG 4.36Å; L257-M281 HydrophobicContact CD1-CG 4.29Å; H277-M281 PolarHBondContact O-N 3.49Å; H277-M281 VanDerWaalsContact O-N 3.12Å; A278-M281 WeakPolarHBondContact O-CA 3.42Å; A278-M281 WeakPolarHBondContact O-CB 3.42Å; A278-M281 PolarHBondContact O-N 2.85Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.22Å; M281-L284 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact CG-CD1 4.23Å; M281-L285 HydrophobicContact CG-CG 4.44Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact SD-CG 4.39Å |
| 282 | E | 90.6 | Very high | 81.6 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -53.4 | 175.2 | -159.8 | -178.6 | 163.8 | 0 | 0 | 110.1 | L248 L254 A278 D279 L284 L285 E286 | L248-E282 HydrophobicContact CD2-CB 4.47Å; L248-E282 HydrophobicContact CD2-CG 3.62Å; L254-E282 HydrophobicContact CD2-CB 3.8Å; L254-E282 HydrophobicContact CD2-CG 4.18Å; A278-E282 PolarHBondContact O-N 3.32Å; D279-E282 WeakPolarHBondContact O-CB 3.39Å; D279-E282 PolarHBondContact O-N 3.38Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.02Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.08Å; E282-E286 HydrophobicContact CG-CG 4.42Å; E282-E286 WeakPolarHBondContact O-CB 3.39Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.2Å |
| 283 | L | 91.1 | Very high | 84.1 | Confident | 105 Ų | 105 | 60 Ų | 60 | 55% | 0.55 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 179.2 | -72.1 | 169.4 | 0 | 0 | 0 | 112.5 | D279 N287 | D279-L283 VanDerWaalsContact O-CG 3.3Å; D279-L283 WeakPolarHBondContact O-CG 3.44Å; D279-L283 PolarHBondContact O-N 2.98Å; L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 2.91Å |
| 284 | L | 90.7 | Very high | 86.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -50 | 175.3 | -177.1 | 155.3 | 0 | 0 | 0 | 110.9 | F175 I178 E179 L182 E280 M281 E282 N287 Y288 | F175-L284 HydrophobicContact CD1-CD1 4.35Å; I178-L284 HydrophobicContact CG2-CD2 4.15Å; E179-L284 HydrophobicContact CB-CD1 4.16Å; E179-L284 HydrophobicContact CG-CD1 4.48Å; L182-L284 HydrophobicContact CD1-CD2 3.92Å; E280-L284 WeakPolarHBondContact O-CB 3.28Å; E280-L284 PolarHBondContact O-N 3.1Å; E280-L284 VanDerWaalsContact O-N 3.13Å; M281-L284 PolarHBondContact O-N 3.44Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.02Å; L284-N287 WeakPolarHBondContact O-CB 3.3Å; L284-N287 PolarHBondContact O-N 3.01Å; L284-Y288 HydrophobicContact CD2-CD2 3.84Å; L284-Y288 HydrophobicContact CD2-CE2 3.94Å; L284-Y288 HydrophobicContact CG-CD2 4.36Å; L284-Y288 HydrophobicContact CG-CE2 4.21Å; L284-Y288 VanDerWaalsContact O-CD2 3.23Å; L284-Y288 WeakPolarHBondContact O-CD2 3.34Å; L284-Y288 PolarHBondContact O-N 3.48Å |
| 285 | L | 93 | Very high | 88.7 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 179.9 | -69.1 | 179.9 | 0 | 0 | 0 | 111.8 | I178 L182 I244 L247 L248 L254 L257 M281 E282 N287 Y288 Y289 | I178-L285 HydrophobicContact CG2-CD2 4.43Å; L182-L285 HydrophobicContact CD1-CD2 3.73Å; I244-L285 HydrophobicContact CD1-CD2 4.22Å; I244-L285 HydrophobicContact CG2-CB 4.27Å; L247-L285 HydrophobicContact CB-CD1 4.28Å; L247-L285 HydrophobicContact CD1-CD1 4.36Å; L248-L285 HydrophobicContact CD2-CB 3.74Å; L248-L285 HydrophobicContact CD2-CD1 4.38Å; L248-L285 HydrophobicContact CG-CB 4.23Å; L254-L285 HydrophobicContact CD1-CD1 3.95Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å; M281-L285 HydrophobicContact CG-CD1 4.23Å; M281-L285 HydrophobicContact CG-CG 4.44Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact SD-CG 4.39Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.08Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.14Å; L285-Y288 PolarHBondContact O-N 3.18Å; L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.04Å |
| 286 | E | 94.4 | Very high | 90.6 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 174.1 | -77.1 | -165.2 | 141.2 | 0 | 0 | 111.6 | L248 E282 Y288 Y289 R290 | L248-E286 HydrophobicContact CD1-CG 4.13Å; L248-E286 HydrophobicContact CD2-CG 4.01Å; E282-E286 HydrophobicContact CG-CG 4.42Å; E282-E286 WeakPolarHBondContact O-CB 3.39Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.2Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.86Å; E286-Y289 WeakPolarHBondContact O-CB 3.49Å; E286-Y289 PolarHBondContact O-N 3.45Å; E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.48Å |
| 287 | N | 94.4 | Very high | 91.7 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 176.9 | 179.9 | 56.1 | 0 | 0 | 0 | 111.3 | L283 L284 L285 R290 L291 | L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 2.91Å; L284-N287 WeakPolarHBondContact O-CB 3.3Å; L284-N287 PolarHBondContact O-N 3.01Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.14Å; N287-R290 PolarHBondContact O-N 2.88Å; N287-L291 WeakPolarHBondContact O-CG 3.27Å; N287-L291 PolarHBondContact O-N 3.42Å |
| 288 | Y | 94.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 176.3 | -76 | -69.8 | 0 | 0 | 0 | 113.5 | E179 L182 Q183 I186 L284 L285 E286 L291 A292 | E179-Y288 HydrophobicContact CG-CE2 3.96Å; E179-Y288 WeakPolarHBondContact CG-OH 3.47Å; E179-Y288 PolarHBondContact O-OH 3.25Å; L182-Y288 HydrophobicContact CB-CD1 3.88Å; L182-Y288 HydrophobicContact CB-CD2 3.91Å; L182-Y288 HydrophobicContact CB-CE1 4.07Å; L182-Y288 HydrophobicContact CB-CE2 4.11Å; L182-Y288 HydrophobicContact CB-CG 3.81Å; L182-Y288 HydrophobicContact CD1-CD2 3.61Å; L182-Y288 HydrophobicContact CD1-CE2 4.23Å; L182-Y288 HydrophobicContact CD1-CG 3.98Å; L182-Y288 HydrophobicContact CG-CD2 4.42Å; L182-Y288 HydrophobicContact CG-CG 4.49Å; Q183-Y288 HydrophobicContact CB-CE1 4.2Å; Q183-Y288 PolarHBondContact OE1-OH 3.42Å; I186-Y288 HydrophobicContact CG1-CD1 4.01Å; L284-Y288 HydrophobicContact CD2-CD2 3.84Å; L284-Y288 HydrophobicContact CD2-CE2 3.94Å; L284-Y288 HydrophobicContact CG-CD2 4.36Å; L284-Y288 HydrophobicContact CG-CE2 4.21Å; L284-Y288 VanDerWaalsContact O-CD2 3.23Å; L284-Y288 WeakPolarHBondContact O-CD2 3.34Å; L284-Y288 PolarHBondContact O-N 3.48Å; L285-Y288 PolarHBondContact O-N 3.18Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.86Å; Y288-L291 HydrophobicContact CD1-CD1 3.99Å; Y288-L291 HydrophobicContact CE1-CD1 4.18Å; Y288-L291 PolarHBondContact O-N 3.47Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.31Å |
| 289 | Y | 95.9 | Very high | 93.2 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 170.5 | 173.6 | -97.2 | 0 | 0 | 0 | 111.3 | K241 L245 L285 E286 A292 E293 | K241-Y289 HydrophobicContact CB-CD2 4.38Å; K241-Y289 HydrophobicContact CB-CE2 4.11Å; K241-Y289 HydrophobicContact CG-CD2 4.44Å; K241-Y289 HydrophobicContact CG-CE2 4.34Å; L245-Y289 HydrophobicContact CD1-CE2 3.6Å; L245-Y289 HydrophobicContact CD2-CD2 4.01Å; L245-Y289 HydrophobicContact CD2-CE1 4.4Å; L245-Y289 HydrophobicContact CD2-CE2 3.55Å; L245-Y289 HydrophobicContact CG-CD2 3.9Å; L245-Y289 HydrophobicContact CG-CE2 3.39Å; L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.04Å; E286-Y289 WeakPolarHBondContact O-CB 3.49Å; E286-Y289 PolarHBondContact O-N 3.45Å; Y289-A292 PolarHBondContact O-N 2.83Å; Y289-E293 PolarHBondContact O-N 3.44Å |
| 290 | R | 96.1 | Very high | 93.6 | Very high | 165 Ų | 165 | 57.7 Ų | 57.7 | 62% | 0.623 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 176 | -67.8 | -63.4 | -175.3 | 164.2 | 0.2 | 111.9 | E286 N287 A292 E293 D294 | E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.48Å; N287-R290 PolarHBondContact O-N 2.88Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 3.23Å; R290-E293 WeakPolarHBondContact O-CB 3.35Å; R290-E293 PolarHBondContact O-N 2.82Å; R290-E293 VanDerWaalsContact O-N 3.14Å; R290-D294 PolarHBondContact O-N 3.16Å |
| 291 | L | 95.8 | Very high | 94 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 175 | -69 | 174.3 | 0 | 0 | 0 | 112.2 | I186 N287 Y288 L295 | I186-L291 HydrophobicContact CG2-CB 4.47Å; N287-L291 WeakPolarHBondContact O-CG 3.27Å; N287-L291 PolarHBondContact O-N 3.42Å; Y288-L291 HydrophobicContact CD1-CD1 3.99Å; Y288-L291 HydrophobicContact CE1-CD1 4.18Å; Y288-L291 PolarHBondContact O-N 3.47Å; L291-L295 PolarHBondContact O-N 2.93Å; L291-L295 VanDerWaalsContact O-N 3.12Å |
| 292 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.2 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I186 I237 F240 K241 Y288 Y289 R290 L295 S296 | I186-A292 HydrophobicContact CD1-CB 3.93Å; I237-A292 WeakPolarHBondContact CG2-O 3.38Å; F240-A292 HydrophobicContact CD1-CB 3.7Å; F240-A292 HydrophobicContact CE1-CB 3.74Å; K241-A292 HydrophobicContact CD-CB 4.25Å; K241-A292 HydrophobicContact CG-CB 3.64Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.31Å; Y289-A292 PolarHBondContact O-N 2.83Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 3.23Å; A292-L295 PolarHBondContact O-N 2.76Å; A292-S296 WeakPolarHBondContact O-CB 3.23Å; A292-S296 PolarHBondContact O-N 2.78Å |
| 293 | E | 96.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 173 | -172.8 | 67 | -118.9 | 0 | 0 | 111.1 | K241 Y289 R290 L295 S296 N297 | K241-E293 WeakPolarHBondContact CE-OE2 3.25Å; K241-E293 IonicContact NZ-OE1 2.95Å; K241-E293 PolarHBondContact NZ-OE1 3.49Å; K241-E293 IonicContact NZ-OE2 2.59Å; K241-E293 PolarHBondContact NZ-OE2 3.21Å; Y289-E293 PolarHBondContact O-N 3.44Å; R290-E293 WeakPolarHBondContact O-CB 3.35Å; R290-E293 PolarHBondContact O-N 2.82Å; R290-E293 VanDerWaalsContact O-N 3.14Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 2.97Å; E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.01Å; E293-S296 VanDerWaalsContact O-N 3.14Å; E293-N297 PolarHBondContact O-N 3.13Å; E293-N297 PolarHBondContact O-ND2 3.45Å |
| 294 | D | 96.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 62 Ų | 62 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.1 | -71.3 | -20.7 | 0 | 0 | 0 | 110.9 | R290 S296 N297 E298 | R290-D294 PolarHBondContact O-N 3.16Å; D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 2.83Å; D294-N297 WeakPolarHBondContact O-CB 2.81Å; D294-N297 PolarHBondContact O-N 3.16Å; D294-N297 VanDerWaalsContact O-N 3.15Å; D294-E298 PolarHBondContact O-N 3Å |
| 295 | L | 94.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.3 | -169.9 | 69.1 | 0 | 0 | 0 | 112.8 | L189 Q190 L193 I237 L291 A292 E293 N297 E298 A299 | L189-L295 HydrophobicContact CB-CD2 3.35Å; L189-L295 HydrophobicContact CD1-CD2 4.43Å; Q190-L295 HydrophobicContact CB-CD1 4.19Å; Q190-L295 HydrophobicContact CG-CD1 4.35Å; L193-L295 HydrophobicContact CB-CD1 4.08Å; L193-L295 HydrophobicContact CD2-CD1 3.37Å; L193-L295 HydrophobicContact CD2-CG 4.28Å; L193-L295 HydrophobicContact CG-CD1 4.37Å; I237-L295 HydrophobicContact CD1-CD2 3.85Å; I237-L295 HydrophobicContact CD1-CG 3.8Å; I237-L295 HydrophobicContact CG1-CD2 4.07Å; I237-L295 HydrophobicContact CG1-CG 4.48Å; L291-L295 PolarHBondContact O-N 2.93Å; L291-L295 VanDerWaalsContact O-N 3.12Å; A292-L295 PolarHBondContact O-N 2.76Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 2.97Å; L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 PolarHBondContact O-N 3.44Å; L295-E298 PolarHBondContact O-N 3.21Å; L295-A299 WeakPolarHBondContact O-CB 3.28Å; L295-A299 PolarHBondContact O-N 3.05Å |
| 296 | S | 96.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.5 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | A292 E293 D294 R300 | A292-S296 WeakPolarHBondContact O-CB 3.23Å; A292-S296 PolarHBondContact O-N 2.78Å; E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.01Å; E293-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 2.83Å; S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.26Å; S296-R300 PolarHBondContact O-N 3.35Å |
| 297 | N | 95.8 | Very high | 94 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 178.5 | -71.7 | -36.7 | 0 | 0 | 0 | 111 | E293 D294 L295 A299 R300 E301 | E293-N297 PolarHBondContact O-N 3.13Å; E293-N297 PolarHBondContact O-ND2 3.45Å; D294-N297 WeakPolarHBondContact O-CB 2.81Å; D294-N297 PolarHBondContact O-N 3.16Å; D294-N297 VanDerWaalsContact O-N 3.15Å; L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 PolarHBondContact O-N 3.44Å; N297-A299 PolarHBondContact O-N 3.29Å; N297-R300 PolarHBondContact O-N 3.38Å; N297-E301 WeakPolarHBondContact O-CG 3.44Å; N297-E301 PolarHBondContact O-N 3.04Å |
| 298 | E | 94.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175.1 | -68.7 | -177.1 | -175.4 | 0 | 0 | 112.2 | L193 D294 L295 R300 E301 L302 | L193-E298 HydrophobicContact CD2-CB 3.66Å; D294-E298 PolarHBondContact O-N 3Å; L295-E298 PolarHBondContact O-N 3.21Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 2.87Å; E298-E301 PolarHBondContact O-N 3.21Å; E298-L302 PolarHBondContact O-N 2.83Å |
| 299 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L193 L230 E234 I237 L295 N297 L302 R303 | L193-A299 HydrophobicContact CD1-CB 4.18Å; L230-A299 HydrophobicContact CD1-CB 4.09Å; E234-A299 HydrophobicContact CG-CB 4.02Å; I237-A299 HydrophobicContact CD1-CB 4.35Å; L295-A299 WeakPolarHBondContact O-CB 3.28Å; L295-A299 PolarHBondContact O-N 3.05Å; N297-A299 PolarHBondContact O-N 3.29Å; A299-L302 WeakPolarHBondContact O-CB 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-R303 PolarHBondContact O-N 3.03Å |
| 300 | R | 94.8 | Very high | 92.5 | Very high | 169 Ų | 169 | 66.5 Ų | 66.5 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 178.5 | -179.1 | 173.9 | 177.2 | 145.6 | -0.1 | 112.6 | S296 N297 E298 L302 R303 V304 | S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.26Å; S296-R300 PolarHBondContact O-N 3.35Å; N297-R300 PolarHBondContact O-N 3.38Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 2.87Å; R300-L302 VanDerWaalsContact C-N 3.29Å; R300-L302 PolarHBondContact O-N 3.46Å; R300-R303 WeakPolarHBondContact O-CB 3.48Å; R300-R303 PolarHBondContact O-N 3.43Å; R300-V304 WeakPolarHBondContact O-CG2 3.4Å; R300-V304 PolarHBondContact O-N 2.59Å |
| 301 | E | 93 | Very high | 91.7 | Very high | 145 Ų | 145 | 61.7 Ų | 61.7 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.6 | -44.6 | 174.4 | -75.4 | -178.1 | 178.9 | 0 | 0 | 111 | N297 E298 R303 V304 L305 | N297-E301 WeakPolarHBondContact O-CG 3.44Å; N297-E301 PolarHBondContact O-N 3.04Å; E298-E301 PolarHBondContact O-N 3.21Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 3.5Å; E301-V304 PolarHBondContact O-N 3.07Å; E301-L305 PolarHBondContact O-N 2.95Å |
| 302 | L | 92.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.5 | -171.3 | 60.1 | 0 | 0 | 0 | 112 | L193 Q197 I200 L201 L230 E298 A299 R300 L305 I306 | L193-L302 HydrophobicContact CD1-CD2 4.32Å; Q197-L302 HydrophobicContact CB-CD2 4.19Å; Q197-L302 HydrophobicContact CG-CD2 4.47Å; I200-L302 HydrophobicContact CB-CD1 4.08Å; I200-L302 HydrophobicContact CB-CD2 4.43Å; I200-L302 HydrophobicContact CB-CG 4.48Å; I200-L302 HydrophobicContact CD1-CD2 3.57Å; I200-L302 HydrophobicContact CD1-CG 4.04Å; I200-L302 HydrophobicContact CG2-CD1 3.63Å; I200-L302 HydrophobicContact CG2-CG 4.13Å; L201-L302 HydrophobicContact CD2-CD1 4.44Å; L201-L302 HydrophobicContact CG-CD1 4.48Å; L230-L302 HydrophobicContact CD1-CD2 4.16Å; L230-L302 HydrophobicContact CD2-CB 4.14Å; L230-L302 HydrophobicContact CD2-CD2 4.13Å; L230-L302 HydrophobicContact CD2-CG 3.97Å; E298-L302 PolarHBondContact O-N 2.83Å; A299-L302 WeakPolarHBondContact O-CB 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; R300-L302 VanDerWaalsContact C-N 3.29Å; R300-L302 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.33Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.35Å |
| 303 | R | 92.5 | Very high | 90.1 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.3 | -180 | 55.8 | 173.3 | -100 | 16 | 112.5 | L230 S231 E234 A299 R300 E301 L305 I306 D307 | L230-R303 HydrophobicContact CD2-CB 4.03Å; S231-R303 PolarHBondContact OG-NH1 2.88Å; E234-R303 VanDerWaalsContact OE1-CB 3.27Å; E234-R303 WeakPolarHBondContact OE1-CB 3.5Å; E234-R303 IonicContact OE2-NH1 3.77Å; E234-R303 PolarHBondContact OE2-NH1 3.18Å; A299-R303 PolarHBondContact O-N 3.03Å; R300-R303 WeakPolarHBondContact O-CB 3.48Å; R300-R303 PolarHBondContact O-N 3.43Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 3.5Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.1Å; R303-I306 PolarHBondContact O-N 3.34Å; R303-D307 PolarHBondContact O-N 2.95Å; R303-D307 VanDerWaalsContact O-N 3.11Å |
| 304 | V | 91.6 | Very high | 89.2 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | R300 E301 I306 D307 D308 | R300-V304 WeakPolarHBondContact O-CG2 3.4Å; R300-V304 PolarHBondContact O-N 2.59Å; E301-V304 PolarHBondContact O-N 3.07Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 2.79Å; V304-D307 PolarHBondContact O-N 3.19Å; V304-D307 VanDerWaalsContact O-N 3.1Å; V304-D308 PolarHBondContact O-N 3.21Å |
| 305 | L | 89.9 | Confident | 88.4 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 177.9 | -175.2 | 66.9 | 0 | 0 | 0 | 113 | L201 L204 E301 L302 R303 S309 | L201-L305 HydrophobicContact CD2-CD2 3.27Å; L204-L305 HydrophobicContact CD1-CD2 4.06Å; L204-L305 HydrophobicContact CD1-CG 3.87Å; E301-L305 PolarHBondContact O-N 2.95Å; L302-L305 PolarHBondContact O-N 3.33Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.1Å; L305-S309 VanDerWaalsContact O-CB 3.28Å; L305-S309 WeakPolarHBondContact O-CB 3.23Å; L305-S309 PolarHBondContact O-N 3.11Å; L305-S309 PolarHBondContact O-OG 3.12Å |
| 306 | I | 89.6 | Confident | 87.5 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.7 | -69.1 | 166.5 | 0 | 0 | 0 | 110.5 | I200 L204 L223 L230 L302 R303 V304 S309 Q310 | I200-I306 HydrophobicContact CD1-CD1 3.96Å; I200-I306 HydrophobicContact CG1-CD1 4.32Å; I200-I306 HydrophobicContact CG2-CD1 3.77Å; I200-I306 HydrophobicContact CG2-CG1 3.57Å; L204-I306 HydrophobicContact CD1-CG1 4.2Å; L223-I306 HydrophobicContact CD1-CG1 4.41Å; L230-I306 HydrophobicContact CD2-CD1 3.74Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.35Å; R303-I306 PolarHBondContact O-N 3.34Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 2.79Å; I306-S309 PolarHBondContact O-N 3.35Å; I306-Q310 VanDerWaalsContact O-CB 3.23Å; I306-Q310 WeakPolarHBondContact O-CB 3.45Å; I306-Q310 PolarHBondContact O-N 3.29Å |
| 307 | D | 88.5 | Confident | 86.6 | Confident | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | -177.2 | -163.2 | 39.6 | 0 | 0 | 0 | 112.1 | R303 V304 S309 Q310 S311 | R303-D307 PolarHBondContact O-N 2.95Å; R303-D307 VanDerWaalsContact O-N 3.11Å; V304-D307 PolarHBondContact O-N 3.19Å; V304-D307 VanDerWaalsContact O-N 3.1Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.27Å; D307-Q310 PolarHBondContact O-N 3.34Å; D307-S311 PolarHBondContact O-N 3.18Å; D307-S311 VanDerWaalsContact O-N 3.16Å; D307-S311 PolarHBondContact O-OG 3.24Å |
| 308 | D | 86.6 | Confident | 85.8 | Confident | 96 Ų | 96 | 71 Ų | 71 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.7 | -75.4 | -16.7 | 0 | 0 | 0 | 111 | V304 S311 I312 | V304-D308 PolarHBondContact O-N 3.21Å; D308-S311 PolarHBondContact O-N 3.27Å; D308-I312 PolarHBondContact O-N 3.21Å |
| 309 | S | 84.4 | Confident | 85 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.8 | -35 | -179.9 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | L204 L305 I306 D307 S311 I312 I313 | L204-S309 VanDerWaalsContact CD2-CB 3.44Å; L305-S309 VanDerWaalsContact O-CB 3.28Å; L305-S309 WeakPolarHBondContact O-CB 3.23Å; L305-S309 PolarHBondContact O-N 3.11Å; L305-S309 PolarHBondContact O-OG 3.12Å; I306-S309 PolarHBondContact O-N 3.35Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.27Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S309-I312 PolarHBondContact O-N 3.08Å; S309-I312 VanDerWaalsContact O-N 3.17Å; S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.25Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 3.38Å |
| 310 | Q | 83.1 | Confident | 84.1 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.3 | -179.6 | 179.3 | -78.5 | 0 | 0 | 110.6 | I306 D307 I312 I313 F314 | I306-Q310 VanDerWaalsContact O-CB 3.23Å; I306-Q310 WeakPolarHBondContact O-CB 3.45Å; I306-Q310 PolarHBondContact O-N 3.29Å; D307-Q310 PolarHBondContact O-N 3.34Å; Q310-I312 VanDerWaalsContact C-N 3.34Å; Q310-I312 PolarHBondContact O-N 3.03Å; Q310-I313 PolarHBondContact O-N 3.42Å; Q310-F314 HydrophobicContact CG-CD2 3.65Å; Q310-F314 HydrophobicContact CG-CE2 3.34Å; Q310-F314 HydrophobicContact CG-CZ 4.45Å; Q310-F314 WeakPolarHBondContact O-CD2 3.19Å; Q310-F314 PolarHBondContact O-N 3.07Å |
| 311 | S | 80.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 112 | D307 D308 S309 F314 I315 | D307-S311 PolarHBondContact O-N 3.18Å; D307-S311 VanDerWaalsContact O-N 3.16Å; D307-S311 PolarHBondContact O-OG 3.24Å; D308-S311 PolarHBondContact O-N 3.27Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S311-F314 PolarHBondContact O-N 2.95Å; S311-I315 VanDerWaalsContact O-CG1 3.27Å; S311-I315 WeakPolarHBondContact O-CG1 3.4Å; S311-I315 PolarHBondContact O-N 3.42Å |
| 312 | I | 77.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176 | -63.8 | 169.2 | 0 | 0 | 0 | 111.2 | D308 S309 Q310 F314 I315 N316 | D308-I312 PolarHBondContact O-N 3.21Å; S309-I312 PolarHBondContact O-N 3.08Å; S309-I312 VanDerWaalsContact O-N 3.17Å; Q310-I312 VanDerWaalsContact C-N 3.34Å; Q310-I312 PolarHBondContact O-N 3.03Å; I312-F314 VanDerWaalsContact C-N 3.33Å; I312-F314 PolarHBondContact O-N 2.98Å; I312-I315 PolarHBondContact O-N 3.06Å; I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 3.35Å |
| 313 | I | 78.3 | Confident | 82.5 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.4 | -67.5 | 160.7 | 0 | 0 | 0 | 110.6 | L207 L220 L223 S309 Q310 N316 L317 | L207-I313 HydrophobicContact CB-CD1 3.71Å; L207-I313 HydrophobicContact CB-CG1 4.06Å; L207-I313 HydrophobicContact CD1-CD1 3.89Å; L207-I313 HydrophobicContact CG-CD1 4.38Å; L220-I313 HydrophobicContact CD1-CG2 4.35Å; L223-I313 HydrophobicContact CD2-CD1 4.04Å; S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.25Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 3.38Å; Q310-I313 PolarHBondContact O-N 3.42Å; I313-N316 PolarHBondContact O-N 3.27Å; I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 3.45Å |
| 314 | F | 78.4 | Confident | 82 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176.2 | -81.8 | -61.6 | 0 | 0 | 0 | 112.3 | Q310 S311 I312 N316 L317 D318 | Q310-F314 HydrophobicContact CG-CD2 3.65Å; Q310-F314 HydrophobicContact CG-CE2 3.34Å; Q310-F314 HydrophobicContact CG-CZ 4.45Å; Q310-F314 WeakPolarHBondContact O-CD2 3.19Å; Q310-F314 PolarHBondContact O-N 3.07Å; S311-F314 PolarHBondContact O-N 2.95Å; I312-F314 VanDerWaalsContact C-N 3.33Å; I312-F314 PolarHBondContact O-N 2.98Å; F314-N316 VanDerWaalsContact C-N 3.26Å; F314-N316 PolarHBondContact O-N 3.29Å; F314-L317 PolarHBondContact O-N 3.17Å; F314-D318 PolarHBondContact O-N 3.46Å |
| 315 | I | 78.9 | Confident | 81.7 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.8 | -41.1 | 175.5 | -68.3 | 165.5 | 0 | 0 | 0 | 110.8 | S311 I312 S319 | S311-I315 VanDerWaalsContact O-CG1 3.27Å; S311-I315 WeakPolarHBondContact O-CG1 3.4Å; S311-I315 PolarHBondContact O-N 3.42Å; I312-I315 PolarHBondContact O-N 3.06Å; I315-S319 WeakPolarHBondContact O-CB 3.1Å; I315-S319 PolarHBondContact O-N 3.43Å |
| 316 | N | 75.6 | Confident | 81.5 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 178.7 | -166.9 | -27 | 0 | 0 | 0 | 111.7 | I312 I313 F314 D318 S319 H320 | I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 3.35Å; I313-N316 PolarHBondContact O-N 3.27Å; F314-N316 VanDerWaalsContact C-N 3.26Å; F314-N316 PolarHBondContact O-N 3.29Å; N316-D318 VanDerWaalsContact C-N 3.33Å; N316-D318 PolarHBondContact O-N 3.42Å; N316-S319 WeakPolarHBondContact O-CB 3.27Å; N316-S319 PolarHBondContact O-N 2.88Å; N316-S319 VanDerWaalsContact O-N 3.15Å; N316-H320 PolarHBondContact O-CD2 3.29Å; N316-H320 PolarHBondContact O-N 3.28Å; N316-H320 PolarHBondContact OD1-CD2 3.45Å; N316-H320 PolarHBondContact OD1-NE2 3.28Å |
| 317 | L | 78.1 | Confident | 81.4 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.9 | -77.7 | 175.1 | 0 | 0 | 0 | 112.6 | V215 I313 F314 H320 R321 | V215-L317 HydrophobicContact CB-CD2 3.68Å; V215-L317 HydrophobicContact CB-CG 4.49Å; V215-L317 HydrophobicContact CG1-CD1 4.38Å; V215-L317 HydrophobicContact CG1-CD2 3.83Å; V215-L317 HydrophobicContact CG1-CG 4.29Å; V215-L317 HydrophobicContact CG2-CD2 3.72Å; V215-L317 HydrophobicContact CG2-CG 4.21Å; I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 3.45Å; F314-L317 PolarHBondContact O-N 3.17Å; L317-H320 PolarHBondContact O-N 3.34Å; L317-R321 PolarHBondContact O-N 2.98Å |
| 318 | D | 78.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 81.6 Ų | 81.6 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 175.3 | -82.3 | -22.2 | 0 | 0 | 0 | 111.7 | F314 N316 H320 R321 N322 | F314-D318 PolarHBondContact O-N 3.46Å; N316-D318 VanDerWaalsContact C-N 3.33Å; N316-D318 PolarHBondContact O-N 3.42Å; D318-H320 PolarHBondContact O-N 3.16Å; D318-R321 PolarHBondContact O-N 3.29Å; D318-N322 WeakPolarHBondContact O-CB 3.38Å; D318-N322 PolarHBondContact O-N 2.97Å; D318-N322 PolarHBondContact O-ND2 3.28Å; D318-N322 VanDerWaalsContact O-ND2 3.14Å |
| 319 | S | 78.9 | Confident | 81.6 | Confident | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 171.8 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | I315 N316 R321 N322 V323 | I315-S319 WeakPolarHBondContact O-CB 3.1Å; I315-S319 PolarHBondContact O-N 3.43Å; N316-S319 WeakPolarHBondContact O-CB 3.27Å; N316-S319 PolarHBondContact O-N 2.88Å; N316-S319 VanDerWaalsContact O-N 3.15Å; S319-R321 PolarHBondContact O-N 3.44Å; S319-N322 WeakPolarHBondContact O-CB 3.43Å; S319-N322 PolarHBondContact O-N 3.41Å; S319-N322 VanDerWaalsContact O-N 3.16Å; S319-V323 WeakPolarHBondContact O-CG2 3.42Å; S319-V323 PolarHBondContact O-N 2.9Å |
| 320 | H | 75.6 | Confident | 81.8 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.2 | -86.7 | -72.4 | 0 | 0 | 0 | 112.5 | S213 N316 L317 D318 N322 V323 M324 | S213-H320 PolarHBondContact O-CE1 3.13Å; N316-H320 PolarHBondContact O-CD2 3.29Å; N316-H320 PolarHBondContact O-N 3.28Å; N316-H320 PolarHBondContact OD1-CD2 3.45Å; N316-H320 PolarHBondContact OD1-NE2 3.28Å; L317-H320 PolarHBondContact O-N 3.34Å; D318-H320 PolarHBondContact O-N 3.16Å; H320-N322 VanDerWaalsContact C-N 3.3Å; H320-N322 PolarHBondContact O-N 3.33Å; H320-V323 PolarHBondContact O-N 3.45Å; H320-M324 WeakPolarHBondContact O-CG 3.39Å; H320-M324 PolarHBondContact O-N 2.92Å |
| 321 | R | 82.4 | Confident | 82.2 | Confident | 178 Ų | 178 | 85.4 Ų | 85.4 | 67% | 0.672 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 174.6 | -176.9 | -178.6 | 177.2 | 175.9 | -0.5 | 111.4 | L317 D318 S319 M324 M325 | L317-R321 PolarHBondContact O-N 2.98Å; D318-R321 PolarHBondContact O-N 3.29Å; S319-R321 PolarHBondContact O-N 3.44Å; R321-M324 PolarHBondContact O-N 3.4Å; R321-M325 WeakPolarHBondContact O-CB 3.45Å; R321-M325 PolarHBondContact O-N 2.93Å |
| 322 | N | 80.7 | Confident | 82.8 | Confident | 87 Ų | 87 | 86 Ų | 86 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 178 | -71.1 | -25.9 | 0 | 0 | 0 | 112 | D318 S319 H320 M325 R326 | D318-N322 WeakPolarHBondContact O-CB 3.38Å; D318-N322 PolarHBondContact O-N 2.97Å; D318-N322 PolarHBondContact O-ND2 3.28Å; D318-N322 VanDerWaalsContact O-ND2 3.14Å; S319-N322 WeakPolarHBondContact O-CB 3.43Å; S319-N322 PolarHBondContact O-N 3.41Å; S319-N322 VanDerWaalsContact O-N 3.16Å; H320-N322 VanDerWaalsContact C-N 3.3Å; H320-N322 PolarHBondContact O-N 3.33Å; N322-M325 PolarHBondContact O-N 2.94Å; N322-R326 WeakPolarHBondContact O-CB 3.33Å; N322-R326 PolarHBondContact O-N 3.34Å |
| 323 | V | 83.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 84 Ų | 84 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 172.9 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | S319 H320 M325 R326 L327 | S319-V323 WeakPolarHBondContact O-CG2 3.42Å; S319-V323 PolarHBondContact O-N 2.9Å; H320-V323 PolarHBondContact O-N 3.45Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 3.15Å; V323-R326 WeakPolarHBondContact O-CB 3.46Å; V323-R326 PolarHBondContact O-N 2.92Å; V323-L327 HydrophobicContact CG1-CD1 4.26Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 2.89Å |
| 324 | M | 81.6 | Confident | 84.2 | Confident | 128 Ų | 128 | 83.8 Ų | 83.8 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 177.8 | -71.4 | -62.6 | -72 | 0 | 0 | 112 | H320 R321 R326 L327 N328 | H320-M324 WeakPolarHBondContact O-CG 3.39Å; H320-M324 PolarHBondContact O-N 2.92Å; R321-M324 PolarHBondContact O-N 3.4Å; M324-R326 VanDerWaalsContact C-N 3.34Å; M324-R326 PolarHBondContact O-N 3.04Å; M324-L327 PolarHBondContact O-N 3.19Å; M324-L327 HydrophobicContact SD-CD1 4.48Å; M324-N328 WeakPolarHBondContact O-CB 3.35Å; M324-N328 PolarHBondContact O-N 2.91Å |
| 325 | M | 86.3 | Confident | 84.9 | Confident | 107 Ų | 107 | 82.6 Ų | 82.6 | 53% | 0.527 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.7 | -172.6 | 164.4 | 67.5 | 0 | 0 | 111.6 | R321 N322 V323 N328 L329 | R321-M325 WeakPolarHBondContact O-CB 3.45Å; R321-M325 PolarHBondContact O-N 2.93Å; N322-M325 PolarHBondContact O-N 2.94Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 3.15Å; M325-N328 PolarHBondContact O-N 3.32Å; M325-L329 WeakPolarHBondContact O-CG 3.33Å; M325-L329 PolarHBondContact O-N 3.43Å |
| 326 | R | 84.2 | Confident | 85.6 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 36% | 0.362 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 173.8 | -175.3 | -171.5 | -65.8 | -106.4 | 11.2 | 111.4 | N322 V323 M324 N328 L329 Q330 | N322-R326 WeakPolarHBondContact O-CB 3.33Å; N322-R326 PolarHBondContact O-N 3.34Å; V323-R326 WeakPolarHBondContact O-CB 3.46Å; V323-R326 PolarHBondContact O-N 2.92Å; M324-R326 VanDerWaalsContact C-N 3.34Å; M324-R326 PolarHBondContact O-N 3.04Å; R326-N328 PolarHBondContact O-N 3.34Å; R326-L329 PolarHBondContact O-N 2.86Å; R326-Q330 VanDerWaalsContact O-CG 3.31Å; R326-Q330 WeakPolarHBondContact O-CG 3.43Å; R326-Q330 PolarHBondContact O-N 3.16Å |
| 327 | L | 88.1 | Confident | 86.5 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.6 | -71.7 | 174.4 | 0 | 0 | 0 | 111.7 | V323 M324 L329 Q330 L331 | V323-L327 HydrophobicContact CG1-CD1 4.26Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 2.89Å; M324-L327 PolarHBondContact O-N 3.19Å; M324-L327 HydrophobicContact SD-CD1 4.48Å; L327-L329 PolarHBondContact O-N 2.93Å; L327-Q330 PolarHBondContact O-N 3.13Å; L327-L331 WeakPolarHBondContact O-CG 3.42Å; L327-L331 PolarHBondContact O-N 2.84Å |
| 328 | N | 89.2 | Confident | 87.2 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 54% | 0.535 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.8 | -173.1 | 32.6 | 0 | 0 | 0 | 112.3 | M324 M325 R326 L331 T332 | M324-N328 WeakPolarHBondContact O-CB 3.35Å; M324-N328 PolarHBondContact O-N 2.91Å; M325-N328 PolarHBondContact O-N 3.32Å; R326-N328 PolarHBondContact O-N 3.34Å; N328-L331 PolarHBondContact O-N 3.48Å; N328-T332 WeakPolarHBondContact O-CB 3.47Å; N328-T332 PolarHBondContact O-N 3.26Å; N328-T332 PolarHBondContact O-OG1 3.19Å |
| 329 | L | 89.7 | Confident | 88 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.6 | -76.3 | 171.5 | 0 | 0 | 0 | 111.8 | M325 R326 L327 T332 M333 | M325-L329 WeakPolarHBondContact O-CG 3.33Å; M325-L329 PolarHBondContact O-N 3.43Å; R326-L329 PolarHBondContact O-N 2.86Å; L327-L329 PolarHBondContact O-N 2.93Å; L329-T332 PolarHBondContact O-N 2.93Å; L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.37Å; L329-M333 PolarHBondContact O-N 3.49Å |
| 330 | Q | 89.5 | Confident | 88.6 | Confident | 62 Ų | 62 | 83.6 Ų | 83.6 | 29% | 0.29 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.9 | -71.3 | 178.4 | -14.8 | 0 | 0 | 112 | R326 L327 T332 G334 W378 L382 | R326-Q330 VanDerWaalsContact O-CG 3.31Å; R326-Q330 WeakPolarHBondContact O-CG 3.43Å; R326-Q330 PolarHBondContact O-N 3.16Å; L327-Q330 PolarHBondContact O-N 3.13Å; Q330-T332 PolarHBondContact O-N 3.1Å; Q330-G334 PolarHBondContact O-N 2.86Å; Q330-G334 VanDerWaalsContact O-N 3.11Å; Q330-W378 WeakPolarHBondContact O-CZ2 3.45Å; Q330-L382 HydrophobicContact CB-CD2 4.25Å; Q330-L382 HydrophobicContact CG-CD2 3.71Å |
| 331 | L | 91.4 | Very high | 89.3 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 59% | 0.586 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 174.7 | -73.8 | 171.9 | 0 | 0 | 0 | 111.8 | L327 N328 G334 T335 | L327-L331 WeakPolarHBondContact O-CG 3.42Å; L327-L331 PolarHBondContact O-N 2.84Å; N328-L331 PolarHBondContact O-N 3.48Å; L331-G334 CarbonylContact O-C 3.52Å; L331-G334 WeakPolarHBondContact O-CA 3.48Å; L331-G334 PolarHBondContact O-N 3.14Å; L331-G334 VanDerWaalsContact O-N 3.1Å; L331-T335 WeakPolarHBondContact O-CG2 3.45Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.5Å |
| 332 | T | 92.6 | Very high | 89.7 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | N328 L329 Q330 G334 T335 F336 | N328-T332 WeakPolarHBondContact O-CB 3.47Å; N328-T332 PolarHBondContact O-N 3.26Å; N328-T332 PolarHBondContact O-OG1 3.19Å; L329-T332 PolarHBondContact O-N 2.93Å; Q330-T332 PolarHBondContact O-N 3.1Å; T332-G334 PolarHBondContact O-N 3.41Å; T332-G334 VanDerWaalsContact O-N 3.16Å; T332-T335 PolarHBondContact O-N 2.99Å; T332-T335 PolarHBondContact O-OG1 2.81Å; T332-F336 VanDerWaalsContact O-CB 3.31Å; T332-F336 WeakPolarHBondContact O-CB 3.34Å; T332-F336 PolarHBondContact O-N 3.5Å |
| 333 | M | 91.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 76.9 Ų | 76.9 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.1 | -32.5 | 171.4 | -71.4 | 173.8 | -175.7 | 0 | 0 | 111.1 | L329 S337 L381 L385 | L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.37Å; L329-M333 PolarHBondContact O-N 3.49Å; M333-S337 PolarHBondContact O-N 3.29Å; M333-L381 HydrophobicContact CB-CB 4.26Å; M333-L381 HydrophobicContact CB-CD1 4.15Å; M333-L381 HydrophobicContact CG-CB 4.34Å; M333-L381 HydrophobicContact SD-CB 4.13Å; M333-L385 HydrophobicContact CE-CB 4.17Å; M333-L385 HydrophobicContact CE-CD1 3.74Å; M333-L385 HydrophobicContact CE-CD2 3.8Å; M333-L385 HydrophobicContact CE-CG 4.1Å; M333-L385 HydrophobicContact SD-CB 4.43Å; M333-L385 HydrophobicContact SD-CD2 4.09Å |
| 334 | G | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73.4 | -51.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q330 L331 T332 F336 S337 L338 W378 | Q330-G334 PolarHBondContact O-N 2.86Å; Q330-G334 VanDerWaalsContact O-N 3.11Å; L331-G334 CarbonylContact O-C 3.52Å; L331-G334 WeakPolarHBondContact O-CA 3.48Å; L331-G334 PolarHBondContact O-N 3.14Å; L331-G334 VanDerWaalsContact O-N 3.1Å; T332-G334 PolarHBondContact O-N 3.41Å; T332-G334 VanDerWaalsContact O-N 3.16Å; G334-F336 PolarHBondContact O-N 2.91Å; G334-S337 PolarHBondContact O-N 3.48Å; G334-L338 PolarHBondContact O-N 3.34Å; G334-W378 VanDerWaalsContact C-CZ3 3.48Å |
| 335 | T | 93.8 | Very high | 90.4 | Very high | 81 Ų | 81 | 73.2 Ų | 73.2 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -36 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | L331 T332 L338 S339 | L331-T335 WeakPolarHBondContact O-CG2 3.45Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.5Å; T332-T335 PolarHBondContact O-N 2.99Å; T332-T335 PolarHBondContact O-OG1 2.81Å; T335-L338 PolarHBondContact O-N 3.38Å; T335-S339 VanDerWaalsContact O-CB 3.24Å; T335-S339 WeakPolarHBondContact O-CB 3.31Å; T335-S339 PolarHBondContact O-N 3.27Å; T335-S339 PolarHBondContact O-OG 2.91Å |
| 336 | F | 94.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 53% | 0.531 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 172.3 | 176 | -103.5 | 0 | 0 | 0 | 112.1 | T332 G334 L338 S339 L340 L381 | T332-F336 VanDerWaalsContact O-CB 3.31Å; T332-F336 WeakPolarHBondContact O-CB 3.34Å; T332-F336 PolarHBondContact O-N 3.5Å; G334-F336 PolarHBondContact O-N 2.91Å; F336-L338 PolarHBondContact O-N 2.93Å; F336-S339 PolarHBondContact O-N 3.5Å; F336-L340 PolarHBondContact O-N 2.67Å; F336-L381 HydrophobicContact CD1-CD1 4.07Å |
| 337 | S | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178.2 | -165.4 | 0 | 0 | 0 | 0 | 112.3 | M333 G334 S374 I377 W378 | M333-S337 PolarHBondContact O-N 3.29Å; G334-S337 PolarHBondContact O-N 3.48Å; S337-S374 PolarHBondContact O-OG 3.38Å; S337-S374 PolarHBondContact OG-O 2.9Å; S337-S374 PolarHBondContact OG-OG 2.91Å; S337-I377 WeakPolarHBondContact OG-CB 3.2Å; S337-W378 PolarHBondContact OG-N 3.41Å |
| 338 | L | 93.3 | Very high | 90.2 | Very high | 116 Ų | 116 | 70.8 Ų | 70.8 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.3 | -38 | 177 | -175.3 | 62.2 | 0 | 0 | 0 | 112.2 | G334 T335 F336 G342 | G334-L338 PolarHBondContact O-N 3.34Å; T335-L338 PolarHBondContact O-N 3.38Å; F336-L338 PolarHBondContact O-N 2.93Å; L338-G342 VanDerWaalsContact O-CA 3.32Å; L338-G342 WeakPolarHBondContact O-CA 3.3Å; L338-G342 PolarHBondContact O-N 3.09Å |
| 339 | S | 94.3 | Very high | 89.7 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | T335 F336 F341 G342 L343 | T335-S339 VanDerWaalsContact O-CB 3.24Å; T335-S339 WeakPolarHBondContact O-CB 3.31Å; T335-S339 PolarHBondContact O-N 3.27Å; T335-S339 PolarHBondContact O-OG 2.91Å; F336-S339 PolarHBondContact O-N 3.5Å; S339-F341 PolarHBondContact O-N 3.02Å; S339-G342 PolarHBondContact O-N 3.42Å; S339-L343 WeakPolarHBondContact O-CG 3.18Å; S339-L343 PolarHBondContact O-N 2.91Å |
| 340 | L | 92.4 | Very high | 89.4 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | -178.1 | -176.6 | 64.6 | 0 | 0 | 0 | 112.5 | F336 I377 | F336-L340 PolarHBondContact O-N 2.67Å; L340-I377 HydrophobicContact CD2-CD1 3.76Å |
| 341 | F | 90.6 | Very high | 88.5 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 21% | 0.211 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -82.8 | -28.2 | 176.5 | -72 | -80.3 | 0 | 0 | 0 | 112.8 | S339 L343 M344 G345 M370 G373 S374 I377 | S339-F341 PolarHBondContact O-N 3.02Å; F341-L343 VanDerWaalsContact C-N 3.27Å; F341-L343 PolarHBondContact O-N 2.77Å; F341-M344 VanDerWaalsContact O-CB 3.31Å; F341-M344 WeakPolarHBondContact O-CB 3.34Å; F341-M344 PolarHBondContact O-N 3.15Å; F341-M344 VanDerWaalsContact O-N 3.07Å; F341-G345 PolarHBondContact O-N 3.35Å; F341-M370 HydrophobicContact CB-CB 4.48Å; F341-M370 WeakPolarHBondContact O-CE 3.34Å; F341-G373 WeakPolarHBondContact CE2-O 3.22Å; F341-G373 VanDerWaalsContact CZ-CA 3.41Å; F341-S374 VanDerWaalsContact CD2-CA 3.43Å; F341-S374 VanDerWaalsContact CD2-N 3.28Å; F341-S374 VanDerWaalsContact CE2-N 3.25Å; F341-I377 HydrophobicContact CD2-CD1 4.43Å; F341-I377 HydrophobicContact CE2-CB 4.47Å; F341-I377 HydrophobicContact CE2-CD1 3.35Å; F341-I377 HydrophobicContact CE2-CG1 3.91Å; F341-I377 HydrophobicContact CZ-CD1 3.8Å; F341-I377 HydrophobicContact CZ-CG1 4.41Å |
| 342 | G | 90.5 | Very high | 87.5 | Confident | 26 Ų | 26 | 77 Ų | 77 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L338 S339 M344 G345 V346 | L338-G342 VanDerWaalsContact O-CA 3.32Å; L338-G342 WeakPolarHBondContact O-CA 3.3Å; L338-G342 PolarHBondContact O-N 3.09Å; S339-G342 PolarHBondContact O-N 3.42Å; G342-M344 PolarHBondContact O-N 3.48Å; G342-G345 CarbonylContact O-C 3.59Å; G342-G345 WeakPolarHBondContact O-CA 3.41Å; G342-G345 PolarHBondContact O-N 2.8Å; G342-V346 WeakPolarHBondContact O-CG2 3.49Å; G342-V346 PolarHBondContact O-N 3.17Å |
| 343 | L | 90.8 | Very high | 86 | Confident | 119 Ų | 119 | 83.4 Ų | 83.4 | 62% | 0.623 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.5 | -35.7 | 173.1 | -72.9 | 173.1 | 0 | 0 | 0 | 112.7 | S339 F341 V346 A347 | S339-L343 WeakPolarHBondContact O-CG 3.18Å; S339-L343 PolarHBondContact O-N 2.91Å; F341-L343 VanDerWaalsContact C-N 3.27Å; F341-L343 PolarHBondContact O-N 2.77Å; L343-V346 PolarHBondContact O-N 3.45Å; L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 3.21Å |
| 344 | M | 84.8 | Confident | 84.6 | Confident | 93 Ų | 93 | 84 Ų | 84 | 46% | 0.458 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 175.9 | -158.5 | 71.4 | -151.5 | 0 | 0 | 111.2 | F341 G342 A347 F348 M370 | F341-M344 VanDerWaalsContact O-CB 3.31Å; F341-M344 WeakPolarHBondContact O-CB 3.34Å; F341-M344 PolarHBondContact O-N 3.15Å; F341-M344 VanDerWaalsContact O-N 3.07Å; G342-M344 PolarHBondContact O-N 3.48Å; M344-A347 PolarHBondContact O-N 3.42Å; M344-F348 HydrophobicContact CE-CD2 4.03Å; M344-F348 HydrophobicContact CE-CE2 3.17Å; M344-F348 HydrophobicContact CE-CZ 3.48Å; M344-F348 VanDerWaalsContact CE-CZ 3.48Å; M344-F348 HydrophobicContact CG-CD2 4.14Å; M344-F348 HydrophobicContact CG-CE2 3.85Å; M344-F348 WeakPolarHBondContact O-CD2 3.24Å; M344-F348 PolarHBondContact O-N 3.11Å; M344-F348 VanDerWaalsContact O-N 3.15Å; M344-F348 HydrophobicContact SD-CE2 4.35Å; M344-M370 HydrophobicContact CB-SD 4.28Å |
| 345 | G | 85.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 90 Ų | 90 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F341 G342 G349 | F341-G345 PolarHBondContact O-N 3.35Å; G342-G345 CarbonylContact O-C 3.59Å; G342-G345 WeakPolarHBondContact O-CA 3.41Å; G342-G345 PolarHBondContact O-N 2.8Å; G345-G349 PolarHBondContact O-N 3.44Å |
| 346 | V | 88.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 90.7 Ų | 90.7 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | G342 L343 F348 G349 M350 | G342-V346 WeakPolarHBondContact O-CG2 3.49Å; G342-V346 PolarHBondContact O-N 3.17Å; L343-V346 PolarHBondContact O-N 3.45Å; V346-F348 PolarHBondContact O-N 3.5Å; V346-G349 CarbonylContact O-C 3.58Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.09Å; V346-M350 WeakPolarHBondContact O-CG 3.32Å; V346-M350 PolarHBondContact O-N 3.16Å; V346-M350 VanDerWaalsContact O-N 3.15Å |
| 347 | A | 84.3 | Confident | 80.1 | Confident | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L343 M344 | L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 3.21Å; M344-A347 PolarHBondContact O-N 3.42Å |
| 348 | F | 79.9 | Confident | 79 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 40% | 0.404 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -78.2 | -18.2 | 174.6 | -70.8 | -62.7 | 0 | 0 | 0 | 114.1 | M344 V346 M350 I366 | M344-F348 HydrophobicContact CE-CD2 4.03Å; M344-F348 HydrophobicContact CE-CE2 3.17Å; M344-F348 HydrophobicContact CE-CZ 3.48Å; M344-F348 VanDerWaalsContact CE-CZ 3.48Å; M344-F348 HydrophobicContact CG-CD2 4.14Å; M344-F348 HydrophobicContact CG-CE2 3.85Å; M344-F348 WeakPolarHBondContact O-CD2 3.24Å; M344-F348 PolarHBondContact O-N 3.11Å; M344-F348 VanDerWaalsContact O-N 3.15Å; M344-F348 HydrophobicContact SD-CE2 4.35Å; V346-F348 PolarHBondContact O-N 3.5Å; F348-M350 VanDerWaalsContact C-N 3.32Å; F348-I366 HydrophobicContact CD2-CG2 4.15Å; F348-I366 HydrophobicContact CE2-CD1 4.21Å; F348-I366 HydrophobicContact CE2-CG2 4.12Å; F348-I366 HydrophobicContact CZ-CD1 4.27Å |
| 349 | G | 79.4 | Confident | 78.1 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 68% | 0.68 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -83.6 | -5.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G345 V346 | G345-G349 PolarHBondContact O-N 3.44Å; V346-G349 CarbonylContact O-C 3.58Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.09Å |
| 350 | M | 82.7 | Confident | 77.2 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -78 | 141 | 172.6 | -69.1 | 178.5 | 74.9 | 0 | 0 | 110.1 | V346 F348 L352 | V346-M350 WeakPolarHBondContact O-CG 3.32Å; V346-M350 PolarHBondContact O-N 3.16Å; V346-M350 VanDerWaalsContact O-N 3.15Å; F348-M350 VanDerWaalsContact C-N 3.32Å; M350-L352 HydrophobicContact CB-CD1 4.25Å; M350-L352 HydrophobicContact CB-CG 4.33Å; M350-L352 PolarHBondContact O-N 3.06Å |
| 351 | N | 71.8 | Confident | 76.7 | Confident | 176 Ų | 176 | 109.8 Ų | 109.8 | 94% | 0.941 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -72.5 | 61.9 | 178.8 | -172 | 46.2 | 0 | 0 | 0 | 112.1 | ||
| 352 | L | 70.3 | Confident | 76.4 | Confident | 125 Ų | 125 | 109.3 Ų | 109.3 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | trans | -112.9 | 133.2 | 174.5 | -65.6 | 170.5 | 0 | 0 | 0 | 107.4 | M350 S354 | M350-L352 HydrophobicContact CB-CD1 4.25Å; M350-L352 HydrophobicContact CB-CG 4.33Å; M350-L352 PolarHBondContact O-N 3.06Å; L352-S354 PolarHBondContact O-N 2.97Å | ||
| 353 | E | 61.2 | Low | 75.9 | Confident | 210 Ų | 210 | 114.1 Ų | 114.1 | 98% | 0.981 | 60% | 0.603 | S | S | * | * | trans | -61.3 | 100.5 | 176.8 | -84.9 | 178.6 | 159.3 | 0 | 0 | 110 | ||||
| 354 | S | 62.2 | Low | 75.7 | Confident | 51 Ų | 51 | 116.4 Ų | 116.4 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | trans | -104.5 | 122 | 169 | -161.7 | 0 | 0 | 0 | 0 | 107.6 | L352 L356 E357 | L352-S354 PolarHBondContact O-N 2.97Å; S354-L356 PolarHBondContact O-N 2.92Å; S354-E357 PolarHBondContact O-N 2.91Å | ||
| 355 | S | 62.2 | Low | 75.8 | Confident | 126 Ų | 126 | 117 Ų | 117 | 88% | 0.881 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 14.9 | 179 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 356 | L | 61.5 | Low | 75.9 | Confident | 96 Ų | 96 | 117.8 Ų | 117.8 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | 3.3 | -179.5 | -71.9 | 170.5 | 0 | 0 | 0 | 113.3 | S354 | S354-L356 PolarHBondContact O-N 2.92Š|
| 357 | E | 63 | Low | 75.8 | Confident | 169 Ų | 169 | 116.1 Ų | 116.1 | 79% | 0.79 | 60% | 0.595 | S | S | * | * | trans | -77.9 | -24.4 | -173.3 | -167.6 | 174.2 | 179.6 | 0 | 0 | 114.2 | S354 D359 | S354-E357 PolarHBondContact O-N 2.91Å; E357-D359 PolarHBondContact O-N 3.06Å | ||
| 358 | E | 68.9 | Low | 76.2 | Confident | 200 Ų | 200 | 115.7 Ų | 115.7 | 94% | 0.935 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -76.7 | -13.9 | -168 | -63.9 | -176.5 | 168.3 | 0 | 0 | 115 | ||
| 359 | D | 74.8 | Confident | 76.7 | Confident | 82 Ų | 82 | 115.9 Ų | 115.9 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | trans | -109.2 | 114.1 | -175.7 | -167.5 | -10.3 | 0 | 0 | 0 | 113.1 | E357 R361 V362 | E357-D359 PolarHBondContact O-N 3.06Å; D359-R361 PolarHBondContact O-N 2.85Å; D359-R361 WeakPolarHBondContact OD1-CB 3.31Å; D359-R361 PolarHBondContact OD1-N 3.29Å; D359-V362 HydrophobicContact CB-CB 4.47Å; D359-V362 HydrophobicContact CB-CG2 3.87Å; D359-V362 WeakPolarHBondContact O-CB 3.35Å; D359-V362 PolarHBondContact O-N 3.07Å | ||
| 360 | H | 76.8 | Confident | 77.3 | Confident | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.9 | -26.4 | 176.5 | -170.9 | 74.2 | 0 | 0 | 0 | 113.5 | W364 | H360-W364 AromaticContact CE1-NE1 3.81Å; H360-W364 AromaticContact NE2-CD1 3.68Å; H360-W364 AromaticContact NE2-NE1 3.35Å; H360-W364 PolarHBondContact NE2-NE1 3.4Å |
| 361 | R | 81.9 | Confident | 77.7 | Confident | 204 Ų | 204 | 117.5 Ų | 117.5 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.9 | -32.3 | 178.9 | -62.6 | 178.7 | 178 | -161.5 | 0.3 | 112.5 | D359 L365 | D359-R361 PolarHBondContact O-N 2.85Å; D359-R361 WeakPolarHBondContact OD1-CB 3.31Å; D359-R361 PolarHBondContact OD1-N 3.29Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 PolarHBondContact O-N 3.05Å; R361-L365 VanDerWaalsContact O-N 3.11Å |
| 362 | V | 82.4 | Confident | 78.7 | Confident | 37 Ų | 37 | 114.7 Ų | 114.7 | 22% | 0.224 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -70.1 | -37.7 | -177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | D359 L365 I366 | D359-V362 HydrophobicContact CB-CB 4.47Å; D359-V362 HydrophobicContact CB-CG2 3.87Å; D359-V362 WeakPolarHBondContact O-CB 3.35Å; D359-V362 PolarHBondContact O-N 3.07Å; V362-L365 PolarHBondContact O-N 3.28Å; V362-I366 HydrophobicContact CG1-CD1 3.7Å; V362-I366 HydrophobicContact CG1-CG1 4.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.39Å |
| 363 | F | 81.6 | Confident | 79.8 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.6 | -50.7 | 174.6 | 176 | -97.9 | 0 | 0 | 0 | 112.8 | L365 I366 T367 | F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 2.83Å; F363-I366 PolarHBondContact O-N 2.78Å; F363-T367 WeakPolarHBondContact O-CB 3.36Å; F363-T367 PolarHBondContact O-N 3.28Å; F363-T367 PolarHBondContact O-OG1 3.47Å |
| 364 | W | 85.3 | Confident | 81.4 | Confident | 166 Ų | 166 | 100 Ų | 100 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -34.7 | 178.4 | -80 | 105.5 | 0 | 0 | 0 | 112.5 | H360 G368 | H360-W364 AromaticContact CE1-NE1 3.81Å; H360-W364 AromaticContact NE2-CD1 3.68Å; H360-W364 AromaticContact NE2-NE1 3.35Å; H360-W364 PolarHBondContact NE2-NE1 3.4Å; W364-G368 PolarHBondContact O-N 3Å |
| 365 | L | 87.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -47.6 | 177.1 | -174.9 | 146.1 | 0 | 0 | 0 | 111.7 | R361 V362 F363 G368 I369 | R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 PolarHBondContact O-N 3.05Å; R361-L365 VanDerWaalsContact O-N 3.11Å; V362-L365 PolarHBondContact O-N 3.28Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 2.83Å; L365-G368 PolarHBondContact O-N 2.87Å; L365-I369 HydrophobicContact CD2-CD1 3.51Å; L365-I369 HydrophobicContact CG-CD1 4.21Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.18Å; L365-I369 PolarHBondContact O-N 2.91Å |
| 366 | I | 87 | Confident | 84.5 | Confident | 43 Ų | 43 | 98.3 Ų | 98.3 | 22% | 0.221 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.4 | -65.8 | 169.2 | 0 | 0 | 0 | 110.6 | F348 V362 F363 G368 I369 M370 | F348-I366 HydrophobicContact CD2-CG2 4.15Å; F348-I366 HydrophobicContact CE2-CD1 4.21Å; F348-I366 HydrophobicContact CE2-CG2 4.12Å; F348-I366 HydrophobicContact CZ-CD1 4.27Å; V362-I366 HydrophobicContact CG1-CD1 3.7Å; V362-I366 HydrophobicContact CG1-CG1 4.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.39Å; F363-I366 PolarHBondContact O-N 2.78Å; I366-G368 VanDerWaalsContact C-N 3.33Å; I366-G368 PolarHBondContact O-N 3.15Å; I366-I369 PolarHBondContact O-N 3.37Å; I366-M370 HydrophobicContact CG2-CG 4.49Å; I366-M370 HydrophobicContact CG2-SD 4.17Å; I366-M370 WeakPolarHBondContact O-CB 3.26Å; I366-M370 WeakPolarHBondContact O-CG 3.5Å; I366-M370 PolarHBondContact O-N 3.48Å |
| 367 | T | 87.8 | Confident | 86 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | F363 M370 F371 | F363-T367 WeakPolarHBondContact O-CB 3.36Å; F363-T367 PolarHBondContact O-N 3.28Å; F363-T367 PolarHBondContact O-OG1 3.47Å; T367-M370 PolarHBondContact O-N 3.28Å; T367-F371 PolarHBondContact O-N 3.06Å |
| 368 | G | 91.2 | Very high | 87.5 | Confident | 40 Ų | 40 | 92.3 Ų | 92.3 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W364 L365 I366 F371 M372 | W364-G368 PolarHBondContact O-N 3Å; L365-G368 PolarHBondContact O-N 2.87Å; I366-G368 VanDerWaalsContact C-N 3.33Å; I366-G368 PolarHBondContact O-N 3.15Å; G368-F371 PolarHBondContact O-N 3.35Å; G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 PolarHBondContact O-N 3.46Å |
| 369 | I | 90.3 | Very high | 88.6 | Confident | 96 Ų | 96 | 92 Ų | 92 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.8 | -69.3 | 171.2 | 0 | 0 | 0 | 111.2 | L365 I366 G373 | L365-I369 HydrophobicContact CD2-CD1 3.51Å; L365-I369 HydrophobicContact CG-CD1 4.21Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.18Å; L365-I369 PolarHBondContact O-N 2.91Å; I366-I369 PolarHBondContact O-N 3.37Å; I369-G373 WeakPolarHBondContact O-CA 3.47Å; I369-G373 PolarHBondContact O-N 2.99Å |
| 370 | M | 91.8 | Very high | 89.4 | Confident | 41 Ų | 41 | 97.8 Ų | 97.8 | 20% | 0.202 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 177.2 | -80.2 | -179.9 | 49.7 | 0 | 0 | 112.2 | F341 M344 I366 T367 S374 | F341-M370 HydrophobicContact CB-CB 4.48Å; F341-M370 WeakPolarHBondContact O-CE 3.34Å; M344-M370 HydrophobicContact CB-SD 4.28Å; I366-M370 HydrophobicContact CG2-CG 4.49Å; I366-M370 HydrophobicContact CG2-SD 4.17Å; I366-M370 WeakPolarHBondContact O-CB 3.26Å; I366-M370 WeakPolarHBondContact O-CG 3.5Å; I366-M370 PolarHBondContact O-N 3.48Å; T367-M370 PolarHBondContact O-N 3.28Å; M370-S374 WeakPolarHBondContact O-CB 3.3Å; M370-S374 PolarHBondContact O-N 2.98Å |
| 371 | F | 92 | Very high | 90.1 | Very high | 171 Ų | 171 | 93.5 Ų | 93.5 | 75% | 0.75 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 179.9 | -172.2 | -98.3 | 0 | 0 | 0 | 111.5 | T367 G368 S374 G375 | T367-F371 PolarHBondContact O-N 3.06Å; G368-F371 PolarHBondContact O-N 3.35Å; F371-S374 PolarHBondContact O-N 3.11Å; F371-G375 PolarHBondContact O-N 3.48Å |
| 372 | M | 93.8 | Very high | 90.4 | Very high | 117 Ų | 117 | 86.5 Ų | 86.5 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 178.3 | -168.7 | -167.2 | 74.3 | 0 | 0 | 111.5 | G368 G375 L376 | G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 PolarHBondContact O-N 3.46Å; M372-G375 PolarHBondContact O-N 2.95Å; M372-L376 HydrophobicContact CE-CD1 4.09Å; M372-L376 HydrophobicContact CG-CD1 4.14Å; M372-L376 WeakPolarHBondContact O-CB 3.45Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.34Å |
| 373 | G | 93.2 | Very high | 90.7 | Very high | 10 Ų | 10 | 87.7 Ų | 87.7 | 10% | 0.103 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F341 I369 L376 I377 | F341-G373 WeakPolarHBondContact CE2-O 3.22Å; F341-G373 VanDerWaalsContact CZ-CA 3.41Å; I369-G373 WeakPolarHBondContact O-CA 3.47Å; I369-G373 PolarHBondContact O-N 2.99Å; G373-L376 PolarHBondContact O-N 3.48Å; G373-I377 WeakPolarHBondContact O-CG1 3.48Å; G373-I377 PolarHBondContact O-N 3.28Å |
| 374 | S | 94.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 88 Ų | 88 | 11% | 0.105 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 112 | S337 F341 M370 F371 L376 I377 W378 | S337-S374 PolarHBondContact O-OG 3.38Å; S337-S374 PolarHBondContact OG-O 2.9Å; S337-S374 PolarHBondContact OG-OG 2.91Å; F341-S374 VanDerWaalsContact CD2-CA 3.43Å; F341-S374 VanDerWaalsContact CD2-N 3.28Å; F341-S374 VanDerWaalsContact CE2-N 3.25Å; M370-S374 WeakPolarHBondContact O-CB 3.3Å; M370-S374 PolarHBondContact O-N 2.98Å; F371-S374 PolarHBondContact O-N 3.11Å; S374-L376 PolarHBondContact O-N 2.93Å; S374-I377 PolarHBondContact O-N 3.43Å; S374-W378 WeakPolarHBondContact O-CB 3.26Å; S374-W378 PolarHBondContact O-N 3.45Å |
| 375 | G | 94.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 81.2 Ų | 81.2 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F371 M372 R379 | F371-G375 PolarHBondContact O-N 3.48Å; M372-G375 PolarHBondContact O-N 2.95Å; G375-R379 VanDerWaalsContact O-CB 3.26Å; G375-R379 WeakPolarHBondContact O-CB 3.34Å; G375-R379 PolarHBondContact O-N 3.3Å |
| 376 | L | 94.3 | Very high | 90.1 | Very high | 101 Ų | 101 | 77.4 Ų | 77.4 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 178.9 | -73.2 | 172.7 | 0 | 0 | 0 | 112.4 | M372 G373 S374 R379 R380 | M372-L376 HydrophobicContact CE-CD1 4.09Å; M372-L376 HydrophobicContact CG-CD1 4.14Å; M372-L376 WeakPolarHBondContact O-CB 3.45Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.34Å; G373-L376 PolarHBondContact O-N 3.48Å; S374-L376 PolarHBondContact O-N 2.93Å; L376-R379 PolarHBondContact O-N 3.25Å; L376-R380 WeakPolarHBondContact O-CB 3.32Å; L376-R380 PolarHBondContact O-N 3.12Å |
| 377 | I | 93.5 | Very high | 89.6 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176.6 | -67.4 | -171.5 | 0 | 0 | 0 | 110.3 | S337 L340 F341 G373 S374 R379 R380 L381 | S337-I377 WeakPolarHBondContact OG-CB 3.2Å; L340-I377 HydrophobicContact CD2-CD1 3.76Å; F341-I377 HydrophobicContact CD2-CD1 4.43Å; F341-I377 HydrophobicContact CE2-CB 4.47Å; F341-I377 HydrophobicContact CE2-CD1 3.35Å; F341-I377 HydrophobicContact CE2-CG1 3.91Å; F341-I377 HydrophobicContact CZ-CD1 3.8Å; F341-I377 HydrophobicContact CZ-CG1 4.41Å; G373-I377 WeakPolarHBondContact O-CG1 3.48Å; G373-I377 PolarHBondContact O-N 3.28Å; S374-I377 PolarHBondContact O-N 3.43Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-R379 PolarHBondContact O-N 3.42Å; I377-R380 PolarHBondContact O-N 3.33Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å; I377-L381 PolarHBondContact O-N 3.42Å |
| 378 | W | 94 | Very high | 88.4 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 34% | 0.341 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.2 | -51.4 | 173.9 | -178.4 | -62.3 | 0 | 0 | 0 | 111.1 | Q330 G334 S337 S374 R380 L381 L382 | Q330-W378 WeakPolarHBondContact O-CZ2 3.45Å; G334-W378 VanDerWaalsContact C-CZ3 3.48Å; S337-W378 PolarHBondContact OG-N 3.41Å; S374-W378 WeakPolarHBondContact O-CB 3.26Å; S374-W378 PolarHBondContact O-N 3.45Å; W378-R380 VanDerWaalsContact C-N 3.31Å; W378-R380 PolarHBondContact O-N 3.02Å; W378-L381 PolarHBondContact O-N 2.94Å; W378-L382 VanDerWaalsContact CD1-CD1 3.46Å; W378-L382 VanDerWaalsContact NE1-CG 3.35Å; W378-L382 PolarHBondContact O-N 3.28Å |
| 379 | R | 92.1 | Very high | 86.8 | Confident | 194 Ų | 194 | 90.1 Ų | 90.1 | 73% | 0.732 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | -179 | -175.9 | 175.4 | 175.4 | 135.1 | -0.6 | 112 | G375 L376 I377 S383 | G375-R379 VanDerWaalsContact O-CB 3.26Å; G375-R379 WeakPolarHBondContact O-CB 3.34Å; G375-R379 PolarHBondContact O-N 3.3Å; L376-R379 PolarHBondContact O-N 3.25Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-R379 PolarHBondContact O-N 3.42Å; R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 2.91Å |
| 380 | R | 92.1 | Very high | 85 | Confident | 203 Ų | 203 | 93.2 Ų | 93.2 | 77% | 0.766 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 176.6 | -171.5 | 173.3 | -177.6 | 160.5 | -0 | 111.5 | L376 I377 W378 S383 F384 | L376-R380 WeakPolarHBondContact O-CB 3.32Å; L376-R380 PolarHBondContact O-N 3.12Å; I377-R380 PolarHBondContact O-N 3.33Å; W378-R380 VanDerWaalsContact C-N 3.31Å; W378-R380 PolarHBondContact O-N 3.02Å; R380-S383 PolarHBondContact O-N 2.99Å; R380-F384 WeakPolarHBondContact O-CB 3.39Å; R380-F384 PolarHBondContact O-N 3.01Å |
| 381 | L | 90.7 | Very high | 82.4 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.2 | -69.8 | 172 | 0 | 0 | 0 | 111.8 | M333 F336 I377 W378 F384 L385 | M333-L381 HydrophobicContact CB-CB 4.26Å; M333-L381 HydrophobicContact CB-CD1 4.15Å; M333-L381 HydrophobicContact CG-CB 4.34Å; M333-L381 HydrophobicContact SD-CB 4.13Å; F336-L381 HydrophobicContact CD1-CD1 4.07Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å; I377-L381 PolarHBondContact O-N 3.42Å; W378-L381 PolarHBondContact O-N 2.94Å; L381-F384 PolarHBondContact O-N 3.48Å; L381-L385 PolarHBondContact O-N 2.95Å |
| 382 | L | 89.4 | Confident | 80 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.1 | -76 | -171.7 | 0 | 0 | 0 | 112.6 | Q330 W378 F384 L385 G386 | Q330-L382 HydrophobicContact CB-CD2 4.25Å; Q330-L382 HydrophobicContact CG-CD2 3.71Å; W378-L382 VanDerWaalsContact CD1-CD1 3.46Å; W378-L382 VanDerWaalsContact NE1-CG 3.35Å; W378-L382 PolarHBondContact O-N 3.28Å; L382-F384 VanDerWaalsContact C-N 3.27Å; L382-F384 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 2.89Å; L382-G386 PolarHBondContact O-N 3.04Å |
| 383 | S | 87.6 | Confident | 77.7 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | R379 R380 R387 | R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 2.91Å; R380-S383 PolarHBondContact O-N 2.99Å; S383-R387 WeakPolarHBondContact O-CG 3.33Å; S383-R387 PolarHBondContact O-N 3.45Å |
| 384 | F | 85.9 | Confident | 75.3 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -42.3 | 174.9 | -178.5 | -100.9 | 0 | 0 | 0 | 111.1 | R380 L381 L382 Q388 | R380-F384 WeakPolarHBondContact O-CB 3.39Å; R380-F384 PolarHBondContact O-N 3.01Å; L381-F384 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact C-N 3.27Å; L382-F384 PolarHBondContact O-N 2.95Å; F384-Q388 HydrophobicContact CE1-CG 4.48Å; F384-Q388 HydrophobicContact CZ-CG 4.44Å; F384-Q388 WeakPolarHBondContact O-CG 3.45Å; F384-Q388 PolarHBondContact O-N 3.49Å |
| 385 | L | 81.3 | Confident | 72.7 | Confident | 24 Ų | 24 | 104.3 Ų | 104.3 | 13% | 0.126 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.3 | -164.4 | 67.3 | 0 | 0 | 0 | 112.5 | M333 L381 L382 R387 Q388 L389 | M333-L385 HydrophobicContact CE-CB 4.17Å; M333-L385 HydrophobicContact CE-CD1 3.74Å; M333-L385 HydrophobicContact CE-CD2 3.8Å; M333-L385 HydrophobicContact CE-CG 4.1Å; M333-L385 HydrophobicContact SD-CB 4.43Å; M333-L385 HydrophobicContact SD-CD2 4.09Å; L381-L385 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 2.89Å; L385-R387 VanDerWaalsContact C-N 3.35Å; L385-R387 PolarHBondContact O-N 2.69Å; L385-Q388 PolarHBondContact O-N 2.8Å; L385-L389 HydrophobicContact CD1-CD1 4.12Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 PolarHBondContact O-N 3.01Å |
| 386 | G | 75.1 | Confident | 70.2 | Confident | 27 Ų | 27 | 111.4 Ų | 111.4 | 28% | 0.278 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.6 | -44.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L382 Q388 L389 E390 | L382-G386 PolarHBondContact O-N 3.04Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.99Å; G386-L389 PolarHBondContact O-N 3.26Å; G386-E390 PolarHBondContact O-N 2.92Å |
| 387 | R | 76.3 | Confident | 67.4 | Low | 201 Ų | 201 | 115.3 Ų | 115.3 | 76% | 0.758 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.6 | -27.4 | 177.9 | -71.8 | 178 | -177.9 | -172.8 | 0.4 | 114.2 | S383 L385 | S383-R387 WeakPolarHBondContact O-CG 3.33Å; S383-R387 PolarHBondContact O-N 3.45Å; L385-R387 VanDerWaalsContact C-N 3.35Å; L385-R387 PolarHBondContact O-N 2.69Å |
| 388 | Q | 62.8 | Low | 64.6 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.4 | -24 | -178.7 | -70.3 | -71.2 | -17.3 | 0 | 0 | 113.1 | F384 L385 G386 | F384-Q388 HydrophobicContact CE1-CG 4.48Å; F384-Q388 HydrophobicContact CZ-CG 4.44Å; F384-Q388 WeakPolarHBondContact O-CG 3.45Å; F384-Q388 PolarHBondContact O-N 3.49Å; L385-Q388 PolarHBondContact O-N 2.8Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.99Å |
| 389 | L | 59 | Low | 61.9 | Low | 75 Ų | 75 | 118 Ų | 118 | 39% | 0.393 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -92.6 | -13.3 | 178.3 | -108 | 90.2 | 0 | 0 | 0 | 114.5 | L385 G386 A391 | L385-L389 HydrophobicContact CD1-CD1 4.12Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 PolarHBondContact O-N 3.01Å; G386-L389 PolarHBondContact O-N 3.26Å; L389-A391 PolarHBondContact O-N 2.92Å; L389-A391 VanDerWaalsContact O-N 3.12Å |
| 390 | E | 50.7 | Low | 59.4 | Low | 161 Ų | 161 | 115.6 Ų | 115.6 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -74.6 | 11.4 | -178.1 | -135.4 | 75.9 | -150.8 | 0 | 0 | 114.6 | G386 | G386-E390 PolarHBondContact O-N 2.92Š| ||
| 391 | A | 37.1 | Very low | 56.6 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -135.3 | 132.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L389 | L389-A391 PolarHBondContact O-N 2.92Å; L389-A391 VanDerWaalsContact O-N 3.12Å |
| 392 | P | 42.2 | Very low | 54.3 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | cis | -107.2 | 131 | -39.4 | 31.7 | -17 | 0 | 0 | 0 | 110.7 | ||||
| 393 | L | 45.8 | Very low | 52.2 | Low | 159 Ų | 159 | 124.3 Ų | 124.3 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 129 | 158.8 | -92.4 | 139.1 | 0 | 0 | 0 | 107.7 | ||
| 394 | P | 42.8 | Very low | 49.7 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150.5 | 169.6 | 26.3 | -30.9 | 0 | 0 | 0 | 109.2 | M396 | P394-M396 PolarHBondContact O-N 3.24Š|
| 395 | P | 40.4 | Very low | 47.5 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.1 | -173.8 | 24.7 | -32.8 | 0 | 0 | 0 | 109.7 | M397 | P395-M397 PolarHBondContact O-N 3.04Š|
| 396 | M | 40.6 | Very low | 45.8 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 94% | 0.936 | 73% | 0.733 | S | S | * | * | trans | -39.2 | 103.9 | 164.6 | -170.2 | -177.4 | -158.8 | 0 | 0 | 108.6 | P394 A398 | P394-M396 PolarHBondContact O-N 3.24Å; M396-A398 PolarHBondContact O-N 3.3Å; M396-A398 VanDerWaalsContact O-N 3.17Å | ||
| 397 | M | 35.8 | Very low | 44.1 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -59.9 | 126.4 | 173.5 | -79.9 | -130.4 | -124.7 | 0 | 0 | 107.1 | P395 S399 | P395-M397 PolarHBondContact O-N 3.04Å; M397-S399 PolarHBondContact O-N 3.06Å | ||
| 398 | A | 34.6 | Very low | 42.1 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -44.1 | 138.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M396 L400 | M396-A398 PolarHBondContact O-N 3.3Å; M396-A398 VanDerWaalsContact O-N 3.17Å; A398-L400 PolarHBondContact O-N 3.2Å; A398-L400 VanDerWaalsContact O-N 3.13Å | ||
| 399 | S | 38 | Very low | 41.1 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -33.1 | 121.4 | 157 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | M397 | M397-S399 PolarHBondContact O-N 3.06Š| ||
| 400 | L | 38.7 | Very low | 40 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -36.1 | 127 | 165.1 | -132.8 | 141.3 | 0 | 0 | 0 | 109.5 | A398 K402 | A398-L400 PolarHBondContact O-N 3.2Å; A398-L400 VanDerWaalsContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 3.4Å | ||
| 401 | P | 34 | Very low | 39.6 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -65.3 | 105 | 169.4 | 26.4 | -28 | 0 | 0 | 0 | 106.8 | K403 | P401-K403 PolarHBondContact O-N 3.42Š| ||
| 402 | K | 42.3 | Very low | 39.6 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -56.3 | 121 | 163.1 | -100.8 | 177.4 | 175.1 | 173.8 | 0 | 107.7 | L400 | L400-K402 PolarHBondContact O-N 3.4Š| ||
| 403 | K | 44.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 65.7 | 97.5 | 162.3 | -65.6 | 177.1 | 171 | 179.8 | 0 | 116.5 | P401 | P401-K403 PolarHBondContact O-N 3.42Š|
| 404 | T | 36.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -153.3 | 7.1 | 149.2 | 8.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 405 | L | 39.5 | Very low | 39 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -101.3 | -20.1 | 179.5 | -125.4 | 160 | 0 | 0 | 0 | 114.6 | ||
| 406 | L | 45.1 | Very low | 38.6 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.4 | 176.8 | -90.7 | 169.7 | 0 | 0 | 0 | 114.8 | ||
| 407 | A | 38.8 | Very low | 38.6 | Very low | 70 Ų | 70 | 139 Ų | 139 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -31 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R410 M411 | A407-R410 PolarHBondContact O-N 2.83Å; A407-M411 PolarHBondContact O-N 2.91Å |
| 408 | D | 34.1 | Very low | 38.8 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -71.2 | -42.7 | -175.6 | -149.9 | 37.4 | 0 | 0 | 0 | 111.4 | R410 M411 E412 | D408-R410 PolarHBondContact O-N 3.38Å; D408-M411 PolarHBondContact O-N 3.23Å; D408-M411 VanDerWaalsContact O-N 3.12Å; D408-E412 PolarHBondContact O-N 2.97Å |
| 409 | R | 42.1 | Very low | 39.1 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -64.8 | -23.9 | 175.7 | -146.4 | 176.4 | -169.7 | -177.9 | 2.3 | 113.4 | V413 | R409-V413 VanDerWaalsContact O-CG2 3.23Å; R409-V413 WeakPolarHBondContact O-CG2 3.43Å; R409-V413 PolarHBondContact O-N 3.44Å |
| 410 | R | 37.1 | Very low | 38.9 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -84.7 | -23.2 | 177.2 | -149.9 | -179.3 | -156 | -158.3 | 6.6 | 112.9 | A407 D408 | A407-R410 PolarHBondContact O-N 2.83Å; D408-R410 PolarHBondContact O-N 3.38Å |
| 411 | M | 42.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 142 Ų | 142 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -83.3 | -38 | 174.2 | -112 | 177.8 | -178.6 | 0 | 0 | 111.5 | A407 D408 K414 N415 | A407-M411 PolarHBondContact O-N 2.91Å; D408-M411 PolarHBondContact O-N 3.23Å; D408-M411 VanDerWaalsContact O-N 3.12Å; M411-K414 PolarHBondContact O-N 3.28Å; M411-N415 PolarHBondContact O-N 2.99Å |
| 412 | E | 36.6 | Very low | 38.5 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 59% | 0.593 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -67.8 | -40.3 | 177.3 | -75.6 | -171.9 | 141 | 0 | 0 | 112.9 | D408 K414 N415 S416 | D408-E412 PolarHBondContact O-N 2.97Å; E412-K414 PolarHBondContact O-N 3.26Å; E412-N415 PolarHBondContact O-N 3.38Å; E412-S416 PolarHBondContact O-N 3.3Å; E412-S416 VanDerWaalsContact O-N 3.08Å; E412-S416 PolarHBondContact O-OG 3.41Å |
| 413 | V | 42.9 | Very low | 38.2 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 51% | 0.509 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -66.3 | -24.8 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | R409 S416 | R409-V413 VanDerWaalsContact O-CG2 3.23Å; R409-V413 WeakPolarHBondContact O-CG2 3.43Å; R409-V413 PolarHBondContact O-N 3.44Å; V413-S416 PolarHBondContact O-OG 3.38Å |
| 414 | K | 36.6 | Very low | 37.7 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 74% | 0.735 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -84.7 | -23.6 | 178.6 | -157.3 | 172.2 | -177.8 | -179.4 | 0 | 112.9 | M411 E412 | M411-K414 PolarHBondContact O-N 3.28Å; E412-K414 PolarHBondContact O-N 3.26Å |
| 415 | N | 37.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -89.3 | -26.1 | 178 | -76.2 | -9.6 | 0 | 0 | 0 | 112.8 | M411 E412 | M411-N415 PolarHBondContact O-N 2.99Å; E412-N415 PolarHBondContact O-N 3.38Å |
| 416 | S | 33.3 | Very low | 37.4 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -75.6 | -20.4 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | E412 V413 | E412-S416 PolarHBondContact O-N 3.3Å; E412-S416 VanDerWaalsContact O-N 3.08Å; E412-S416 PolarHBondContact O-OG 3.41Å; V413-S416 PolarHBondContact O-OG 3.38Å |
| 417 | L | 40 | Very low | 36.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 3.8 | 179.9 | -103.9 | 152.5 | 0 | 0 | 0 | 114.9 | ||
| 418 | R | 39.8 | Very low | 36.7 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -126.8 | 9.8 | -174.6 | -143.3 | -176.5 | -178.4 | 174.1 | 1.1 | 116.4 | ||
| 419 | A | 42 | Very low | 36.8 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -137.4 | 79.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 420 | E | 33 | Very low | 36.4 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 95% | 0.953 | 75% | 0.753 | S | S | * | * | 178.5 | 134.7 | 129.8 | -97.7 | -170.6 | 177.3 | 0 | 0 | 110.8 | |||||
| 421 | G | 31.1 | Very low | 36.1 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 123.9 | 79.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 422 | L | 34 | Very low | 35.7 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | 177.6 | 103.4 | 108.7 | -114.2 | 86.4 | 0 | 0 | 0 | 109.7 | |||||
| 423 | G | 35.9 | Very low | 35.7 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -77.6 | 127.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 424 | T | 33.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -149.3 | 122.5 | 154.9 | -26.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | S | 34.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -42.7 | 140.6 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 426 | R | 33.4 | Very low | 35.1 | Very low | 249 Ų | 249 | 146.1 Ų | 146.1 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | trans | -165.7 | 111.4 | 132.2 | -113.1 | 171.7 | 158.4 | 145 | -2.9 | 112 | ||||
| 427 | T | 35.2 | Very low | 35.2 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 80% | 0.798 | 83% | 0.827 | S | S | * | * | trans | -78 | 153.6 | 162.4 | 10.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | V | 34 | Very low | 34.9 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 75% | 0.745 | 83% | 0.831 | S | S | * | * | trans | 113.5 | 119.8 | 148.8 | -170.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 429 | L | 36.2 | Very low | 34.5 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 91.4 | 112.9 | 148.2 | -85.2 | 160.3 | 0 | 0 | 0 | 122.3 | ||||
| 430 | A | 34.8 | Very low | 33.9 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 70% | 0.702 | 84% | 0.839 | S | S | * | * | 120.4 | 136.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 431 | S | 31.3 | Very low | 34 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | 73.9 | 118.8 | -172.7 | 84.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 432 | R | 33.3 | Very low | 34.3 | Very low | 318 Ų | 318 | 151 Ų | 151 | 100% | 1.2 | 84% | 0.842 | S | S | * | * | cis | -157.8 | 0 | 23.2 | -146.7 | -179.7 | -165.5 | 175.9 | 3.5 | 109.5 |
Retrieved 432 of 432 residues in 75.6 ms
(Link to these results)