| 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 | 32 | Very low | 29.9 | Very low | 242 Ų | 242 | 151.4 Ų | 151.4 | 100% | 1.192 | 84% | 0.844 | S | S | * | * | 0 | 99 | 0 | -72.2 | -78.9 | -166.7 | 0 | 0 | 108.8 | |||||
| 2 | P | 35.8 | Very low | 29.5 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -117.6 | 132.2 | 144.4 | 30.6 | -18.3 | 0 | 0 | 0 | 109.4 | ||||
| 3 | S | 31.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | -59.6 | 146.2 | -172.2 | -53.2 | 0 | 0 | 0 | 0 | 113.7 | L5 | S3-L5 PolarHBondContact O-N 3.48Š| ||
| 4 | P | 33 | Very low | 28.8 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -76.5 | 124.4 | 169.3 | 30.4 | -28.9 | 0 | 0 | 0 | 109.7 | V6 | P4-V6 PolarHBondContact O-N 3.18Š| ||
| 5 | L | 32.9 | Very low | 28.4 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -63.1 | 112.2 | 170.9 | -86.5 | 155.9 | 0 | 0 | 0 | 109.5 | S3 Q7 | S3-L5 PolarHBondContact O-N 3.48Å; L5-Q7 PolarHBondContact O-N 3.47Å | ||
| 6 | V | 30.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.4 | 170 | 176 | 0 | 0 | 0 | 0 | 108.5 | P4 | P4-V6 PolarHBondContact O-N 3.18Š|
| 7 | Q | 27.9 | Very low | 27.9 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 137 | 164.3 | -69.7 | -164.4 | -7.8 | 0 | 0 | 109.6 | L5 | L5-Q7 PolarHBondContact O-N 3.47Š|
| 8 | P | 26.6 | Very low | 27.8 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 158.8 | 176.8 | 34.3 | -32.2 | 0 | 0 | 0 | 110.7 | ||
| 9 | P | 26.1 | Very low | 27.5 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.8 | -176 | 31.9 | -31.2 | 0 | 0 | 0 | 110.3 | K11 | P9-K11 PolarHBondContact O-N 3.09Š|
| 10 | L | 28.4 | Very low | 27.3 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -74.5 | 110.4 | 163.4 | -91.8 | 107.2 | 0 | 0 | 0 | 108.9 | ||||
| 11 | K | 25 | Very low | 27 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -108.9 | 128 | 161 | -78.4 | -173.1 | 174.7 | -174.9 | 0 | 108.5 | P9 | P9-K11 PolarHBondContact O-N 3.09Š| ||
| 12 | D | 24.6 | Very low | 26.6 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 57.7 | 138.4 | 147.4 | -52.2 | -38.8 | 0 | 0 | 0 | 120.7 | ||||
| 13 | A | 24.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 91.8 | 123.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 14 | V | 24.7 | Very low | 25.5 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | cis | -145.9 | 135.3 | 26.2 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | V16 | V14-V16 HydrophobicContact CG1-CG2 4.15Å; V14-V16 PolarHBondContact O-N 2.85Å | ||
| 15 | N | 22.6 | Very low | 24.9 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -64.5 | 104.1 | 169 | -167.2 | 4 | 0 | 0 | 0 | 109.4 | ||||
| 16 | V | 25.3 | Very low | 24.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -108.7 | 101 | 169.3 | -168.5 | 0 | 0 | 0 | 0 | 107.1 | V14 H18 | V14-V16 HydrophobicContact CG1-CG2 4.15Å; V14-V16 PolarHBondContact O-N 2.85Å; V16-H18 PolarHBondContact O-N 2.93Å; V16-H18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | N | 22.8 | Very low | 24 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -49 | 115.1 | 166.3 | -91.9 | -29.7 | 0 | 0 | 0 | 109.3 | ||||
| 18 | H | 25.8 | Very low | 23.8 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | -103.4 | 85.2 | 154.3 | -81.7 | 21.2 | 0 | 0 | 0 | 106.9 | V16 | V16-H18 PolarHBondContact O-N 2.93Å; V16-H18 VanDerWaalsContact O-N 3.11Å | ||
| 19 | G | 22.1 | Very low | 23.7 | Very low | 62 Ų | 62 | 129.8 Ų | 129.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | -79.3 | 111.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 20 | D | 24.6 | Very low | 23.7 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -145.9 | 63 | 148.5 | -88.1 | -33 | 0 | 0 | 0 | 107.3 | ||||
| 21 | G | 20.6 | Very low | 23.4 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -98.8 | 85.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | I23 | G21-I23 PolarHBondContact O-N 2.79Š| ||
| 22 | I | 23.9 | Very low | 23.7 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -82.2 | 98 | 169.8 | -63.1 | -177.6 | 0 | 0 | 0 | 107.8 | C24 | I22-C24 WeakPolarHBondContact CG2-SG 3.44Š| ||
| 23 | I | 20.5 | Very low | 23.6 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -74.9 | 111.3 | 161.3 | -61 | 171.6 | 0 | 0 | 0 | 106.4 | G21 | G21-I23 PolarHBondContact O-N 2.79Š| ||
| 24 | C | 22.6 | Very low | 23.8 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | trans | -111.1 | 107.3 | 166.7 | -77.8 | 0 | 0 | 0 | 0 | 109.8 | I22 | I22-C24 WeakPolarHBondContact CG2-SG 3.44Š| ||
| 25 | H | 21.1 | Very low | 23.8 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -64.1 | 129.7 | 160.9 | -88.5 | -86 | 0 | 0 | 0 | 109.9 | ||||
| 26 | V | 22.9 | Very low | 23.9 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 124.4 | 166.3 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 27 | S | 21.7 | Very low | 23.9 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -117.9 | 136.4 | 160.2 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 28 | P | 24.2 | Very low | 24.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -98.6 | 163.1 | -176.2 | 36.7 | -31.7 | 0 | 0 | 0 | 113.2 | ||||
| 29 | S | 23.1 | Very low | 24.1 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | 101.2 | 133.4 | 157.9 | 75.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 30 | G | 26.9 | Very low | 24.2 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 151.3 | 99.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 31 | S | 22.8 | Very low | 24.3 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -80.4 | 173.1 | 179.6 | 44.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 32 | E | 29.2 | Very low | 24.4 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 118.1 | 100.8 | 160.1 | -66.5 | 179.7 | -176.6 | 0 | 0 | 113.1 | ||||
| 33 | E | 24 | Very low | 24.3 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | 67.9 | 121.1 | 85.5 | -75.6 | -162.4 | 177.3 | 0 | 0 | 114.8 | |||||
| 34 | G | 28.9 | Very low | 24.4 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 164.9 | 92.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 35 | N | 24.4 | Very low | 24.6 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 95% | 0.952 | 79% | 0.789 | S | S | * | * | trans | -47.2 | 150.1 | 176.1 | -73.9 | -39.2 | 0 | 0 | 0 | 117 | ||||
| 36 | G | 25.4 | Very low | 24.8 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 151.1 | 93.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 37 | H | 24.3 | Very low | 24.9 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 164.7 | 149.5 | -113.2 | -66.5 | 0 | 0 | 0 | 105.7 | D39 | H37-D39 IonicContact CE1-OD1 3.8Å; H37-D39 IonicContact CE1-OD2 3.26Å; H37-D39 PolarHBondContact CE1-OD2 3.12Å; H37-D39 VanDerWaalsContact CE1-OD2 3.26Å; H37-D39 IonicContact ND1-OD2 3.3Å; H37-D39 PolarHBondContact ND1-OD2 3.03Å | ||
| 38 | P | 30.2 | Very low | 25 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -141.8 | 175.4 | 28.2 | 31.1 | -5.7 | 0 | 0 | 0 | 117.9 | ||||
| 39 | D | 23.8 | Very low | 25.2 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 153.4 | 177.9 | -53.9 | -71.4 | 0 | 0 | 0 | 115.7 | H37 | H37-D39 IonicContact CE1-OD1 3.8Å; H37-D39 IonicContact CE1-OD2 3.26Å; H37-D39 PolarHBondContact CE1-OD2 3.12Å; H37-D39 VanDerWaalsContact CE1-OD2 3.26Å; H37-D39 IonicContact ND1-OD2 3.3Å; H37-D39 PolarHBondContact ND1-OD2 3.03Å | ||
| 40 | I | 24.1 | Very low | 25.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -146.5 | 111.7 | 141.5 | -55.8 | -178.3 | 0 | 0 | 0 | 108.4 | T42 | I40-T42 HydrophobicContact CG2-CG2 4.47Š| ||
| 41 | I | 24.8 | Very low | 25.5 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -134 | 127.7 | 152.3 | -61 | -178.9 | 0 | 0 | 0 | 107.5 | ||||
| 42 | T | 23.5 | Very low | 25.4 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -94 | 146.2 | -178.9 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | I40 | I40-T42 HydrophobicContact CG2-CG2 4.47Š| ||
| 43 | E | 22.6 | Very low | 25.1 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 124.5 | 142.7 | -76.3 | -174.5 | -170.5 | 0 | 0 | 122.8 | ||||
| 44 | A | 22.9 | Very low | 25.1 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | 99.8 | 142 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 45 | D | 26.2 | Very low | 24.8 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 78.5 | 142.3 | 159.3 | -58.5 | -28.1 | 0 | 0 | 0 | 117.6 | ||||
| 46 | N | 23.9 | Very low | 24.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | cis | -176.3 | 171.4 | -22.5 | -120.5 | -35.4 | 0 | 0 | 0 | 104 | ||||
| 47 | D | 26.1 | Very low | 24.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 79.5 | 135.1 | 166 | -46 | -29.9 | 0 | 0 | 0 | 115.6 | ||||
| 48 | D | 24.4 | Very low | 24.9 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -174.1 | 160.5 | 9.8 | -134.5 | -23.2 | 0 | 0 | 0 | 110.6 | ||||
| 49 | V | 27.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 91.2 | 149 | -170.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 50 | C | 21.8 | Very low | 25.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | 7.1 | 173.4 | 122 | -141 | 0 | 0 | 0 | 0 | 122 | |||||
| 51 | P | 34.9 | Very low | 25.2 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | -127.6 | 172.4 | -74.1 | 41.5 | -26.9 | 0 | 0 | 0 | 113.7 | |||||
| 52 | Y | 21.4 | Very low | 25.6 | Very low | 227 Ų | 227 | 151.9 Ų | 151.9 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -176.4 | 146.5 | 138 | -117.7 | -91.2 | 0 | 0 | 0 | 114.3 | ||||
| 53 | K | 21.9 | Very low | 26.1 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -65 | 153.3 | -178.9 | -72.8 | 165.2 | 168.5 | 169 | 0 | 115.4 | ||||
| 54 | A | 25.1 | Very low | 26.5 | Very low | 105 Ų | 105 | 153 Ų | 153 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -154.7 | 121.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 55 | R | 22.9 | Very low | 26.9 | Very low | 226 Ų | 226 | 155.4 Ų | 155.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -81.2 | 151.6 | 158 | -88.3 | 179.9 | 178.6 | -171 | -0.8 | 109 | ||||
| 56 | L | 26 | Very low | 27.2 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -180 | 102.7 | 141.5 | -94.6 | 157.4 | 0 | 0 | 0 | 108.9 | ||||
| 57 | L | 23.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | 62.5 | 107.6 | 101 | -60.9 | -177.9 | 0 | 0 | 0 | 115.4 | |||||
| 58 | E | 24.8 | Very low | 28 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 82.1 | 124.8 | 111 | -72.2 | 179.9 | -174.8 | 0 | 0 | 113.7 | |||||
| 59 | T | 28.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | cis | -151 | 172.4 | 23.1 | 27.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 60 | P | 31 | Very low | 28.9 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -112.9 | 146.5 | -147.6 | 38.4 | -28.1 | 0 | 0 | 0 | 115.2 | ||||
| 61 | R | 26.2 | Very low | 29.5 | Very low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 131.3 | -2.6 | 152.1 | -74 | -177.7 | 165.6 | -177.9 | -2.9 | 118.5 | ||
| 62 | R | 32.9 | Very low | 29.6 | Very low | 247 Ų | 247 | 145.7 Ų | 145.7 | 93% | 0.932 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -124.4 | -2.6 | 172 | -72.4 | -172.1 | 175.7 | -177.6 | -0.6 | 117.2 | ||
| 63 | R | 33.1 | Very low | 30.3 | Very low | 202 Ų | 202 | 139 Ų | 139 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86.5 | -11.2 | 165.4 | -82.2 | -178.7 | 178.1 | 153.1 | -0.4 | 114.5 | N65 A66 C67 | R63-N65 PolarHBondContact O-N 2.7Å; R63-N65 VanDerWaalsContact O-N 3.13Å; R63-A66 PolarHBondContact O-N 2.97Å; R63-C67 PolarHBondContact O-N 3.4Å |
| 64 | H | 31.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 52% | 0.523 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -13.2 | -169.5 | -153.7 | 81.8 | 0 | 0 | 0 | 114.7 | R68 | H64-R68 VanDerWaalsContact O-CB 3.32Å; H64-R68 WeakPolarHBondContact O-CB 3.16Å; H64-R68 WeakPolarHBondContact O-CD 3.42Å; H64-R68 VanDerWaalsContact O-CG 3.29Å; H64-R68 WeakPolarHBondContact O-CG 3.25Å |
| 65 | N | 31.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -28.9 | 178.4 | -74.5 | -13.8 | 0 | 0 | 0 | 114.2 | R63 | R63-N65 PolarHBondContact O-N 2.7Å; R63-N65 VanDerWaalsContact O-N 3.13Å |
| 66 | A | 32.1 | Very low | 31.5 | Very low | 57 Ų | 57 | 131.4 Ų | 131.4 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R63 R68 V69 L70 | R63-A66 PolarHBondContact O-N 2.97Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 3.34Å; A66-V69 WeakPolarHBondContact O-CB 3.49Å; A66-V69 PolarHBondContact O-N 3.22Å; A66-L70 PolarHBondContact O-N 3.49Å |
| 67 | C | 32.1 | Very low | 31.8 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.5 | -26.2 | 173.8 | -73.4 | 0 | 0 | 0 | 0 | 113 | R63 V69 L70 Q71 | R63-C67 PolarHBondContact O-N 3.4Å; C67-V69 PolarHBondContact O-N 2.97Å; C67-L70 PolarHBondContact O-N 3.46Å; C67-Q71 WeakPolarHBondContact O-CB 3.27Å; C67-Q71 PolarHBondContact O-N 2.75Å |
| 68 | R | 35.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 56% | 0.555 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.5 | -24.4 | 172.7 | -96.3 | -175.1 | 151.5 | 174.2 | -3.1 | 113.6 | H64 A66 R72 | H64-R68 VanDerWaalsContact O-CB 3.32Å; H64-R68 WeakPolarHBondContact O-CB 3.16Å; H64-R68 WeakPolarHBondContact O-CD 3.42Å; H64-R68 VanDerWaalsContact O-CG 3.29Å; H64-R68 WeakPolarHBondContact O-CG 3.25Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 3.34Å; R68-R72 WeakPolarHBondContact O-CB 3.44Å; R68-R72 WeakPolarHBondContact O-CG 3.33Å; R68-R72 PolarHBondContact O-N 3.18Å |
| 69 | V | 36.8 | Very low | 32.5 | Very low | 57 Ų | 57 | 122.3 Ų | 122.3 | 35% | 0.345 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.8 | -46.3 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 108.8 | A66 C67 R72 F73 | A66-V69 WeakPolarHBondContact O-CB 3.49Å; A66-V69 PolarHBondContact O-N 3.22Å; C67-V69 PolarHBondContact O-N 2.97Å; V69-R72 PolarHBondContact O-N 2.76Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.29Å; V69-F73 HydrophobicContact CG1-CZ 4.27Å; V69-F73 WeakPolarHBondContact O-CD2 3.33Å; V69-F73 WeakPolarHBondContact O-CG 3.34Å; V69-F73 PolarHBondContact O-N 3.17Å |
| 70 | L | 33.6 | Very low | 32.7 | Very low | 49 Ų | 49 | 120 Ų | 120 | 26% | 0.257 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.8 | -39.2 | 178.5 | -67.8 | 170 | 0 | 0 | 0 | 114.5 | A66 C67 R72 F73 Y74 F187 | A66-L70 PolarHBondContact O-N 3.49Å; C67-L70 PolarHBondContact O-N 3.46Å; L70-R72 PolarHBondContact O-N 3.1Å; L70-F73 PolarHBondContact O-N 3.43Å; L70-Y74 PolarHBondContact O-N 3.09Å; L70-F187 HydrophobicContact CD2-CD1 4.11Å; L70-F187 HydrophobicContact CD2-CE1 3.92Å |
| 71 | Q | 34.6 | Very low | 32.8 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.4 | -24 | 174.3 | -81.1 | -178.7 | -32.8 | 0 | 0 | 112.5 | C67 F73 T75 | C67-Q71 WeakPolarHBondContact O-CB 3.27Å; C67-Q71 PolarHBondContact O-N 2.75Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-T75 PolarHBondContact O-OG1 3.48Å; Q71-T75 VanDerWaalsContact O-OG1 3.05Å |
| 72 | R | 35.4 | Very low | 33.1 | Very low | 178 Ų | 178 | 119.9 Ų | 119.9 | 67% | 0.672 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.8 | -20.2 | 170.4 | -90.9 | 179.6 | 168.8 | 177.7 | -5 | 113.6 | R68 V69 L70 | R68-R72 WeakPolarHBondContact O-CB 3.44Å; R68-R72 WeakPolarHBondContact O-CG 3.33Å; R68-R72 PolarHBondContact O-N 3.18Å; V69-R72 PolarHBondContact O-N 2.76Å; L70-R72 PolarHBondContact O-N 3.1Å |
| 73 | F | 37.3 | Very low | 33.2 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 38% | 0.377 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -89.3 | -13.4 | -177.4 | -73.8 | -55.5 | 0 | 0 | 0 | 113.9 | V69 L70 Q71 C209 | V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.29Å; V69-F73 HydrophobicContact CG1-CZ 4.27Å; V69-F73 WeakPolarHBondContact O-CD2 3.33Å; V69-F73 WeakPolarHBondContact O-CG 3.34Å; V69-F73 PolarHBondContact O-N 3.17Å; L70-F73 PolarHBondContact O-N 3.43Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; F73-C209 HydrophobicContact CD1-CB 3.51Å; F73-C209 WeakPolarHBondContact CD1-SG 3.42Å; F73-C209 HydrophobicContact CE1-CB 3.68Å; F73-C209 VanDerWaalsContact CE1-SG 3.51Å; F73-C209 HydrophobicContact CG-CB 4.16Å; F73-C209 VanDerWaalsContact CG-SG 3.55Å; F73-C209 HydrophobicContact CZ-CB 4.41Å |
| 74 | Y | 29.5 | Very low | 33.2 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 65% | 0.647 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -112.1 | 10.5 | 178.6 | -85.7 | -79.6 | 0 | 0 | 0 | 114.7 | L70 | L70-Y74 PolarHBondContact O-N 3.09Š|
| 75 | T | 28.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -139.5 | 123.4 | 170.8 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | Q71 | Q71-T75 PolarHBondContact O-OG1 3.48Å; Q71-T75 VanDerWaalsContact O-OG1 3.05Å |
| 76 | P | 35.8 | Very low | 33.1 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | trans | -77.5 | 140.9 | 171.2 | 33 | -29.6 | 0 | 0 | 0 | 108.5 | V135 | P76-V135 HydrophobicContact CB-CG2 4.26Š| ||
| 77 | T | 32.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | cis | -169.6 | 179.9 | 5.7 | 27 | 0 | 0 | 0 | 0 | 109.1 | V135 | T77-V135 HydrophobicContact CG2-CG1 4.48Å; T77-V135 HydrophobicContact CG2-CG2 3.61Å | ||
| 78 | L | 32.1 | Very low | 33 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | trans | 97.8 | 122.5 | 144 | -77 | 152 | 0 | 0 | 0 | 123.1 | L133 | L78-L133 HydrophobicContact CD1-CD1 3.95Š| ||
| 79 | S | 31.4 | Very low | 32.8 | Very low | 61 Ų | 61 | 116.3 Ų | 116.3 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | trans | 74 | 74 | 152.9 | 75.4 | 0 | 0 | 0 | 0 | 120 | Q81 R83 | S79-Q81 PolarHBondContact O-N 2.82Å; S79-R83 PolarHBondContact OG-NE 3.22Å; S79-R83 PolarHBondContact OG-NH2 2.86Å | ||
| 80 | C | 32.6 | Very low | 32.6 | Very low | 85 Ų | 85 | 121 Ų | 121 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 75.5 | 170.6 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 81 | Q | 33.1 | Very low | 32.5 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 79% | 0.79 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.3 | -23.2 | 149.1 | -113.9 | 168.7 | -11.2 | 0 | 0 | 113.6 | S79 | S79-Q81 PolarHBondContact O-N 2.82Š|
| 82 | Q | 32.3 | Very low | 32.4 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -6.9 | -179.7 | -74.1 | 173.9 | -31.1 | 0 | 0 | 115.1 | ||
| 83 | R | 34.2 | Very low | 32.1 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -95.1 | -12.8 | -178.6 | -67.4 | -172.6 | -153.7 | -154.1 | 2.2 | 115.5 | S79 E85 T87 | S79-R83 PolarHBondContact OG-NE 3.22Å; S79-R83 PolarHBondContact OG-NH2 2.86Å; R83-E85 VanDerWaalsContact C-N 3.35Å; R83-E85 PolarHBondContact O-N 3.38Å; R83-T87 PolarHBondContact O-OG1 3.46Å |
| 84 | Q | 33.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 127 Ų | 127 | 64% | 0.64 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.5 | -27.6 | -177.9 | -81 | -179.3 | -32.5 | 0 | 0 | 113 | ||
| 85 | E | 31.3 | Very low | 31.6 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -86.1 | -28.5 | -175.7 | -67.3 | -176 | 156.9 | 0 | 0 | 114.1 | R83 | R83-E85 VanDerWaalsContact C-N 3.35Å; R83-E85 PolarHBondContact O-N 3.38Å |
| 86 | S | 30.6 | Very low | 31.6 | Very low | 69 Ų | 69 | 132 Ų | 132 | 48% | 0.483 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -80.1 | -25.6 | -178.1 | -175.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 87 | T | 32.5 | Very low | 31.2 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 53% | 0.528 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -81.1 | -32.4 | -177.1 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | R83 L89 K90 I91 | R83-T87 PolarHBondContact O-OG1 3.46Å; T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.44Å; T87-K90 PolarHBondContact O-N 3.41Å; T87-I91 HydrophobicContact CG2-CD1 4.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.4Å |
| 88 | L | 30.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.6 | -28.4 | 174.4 | -91.1 | 155.6 | 0 | 0 | 0 | 112.6 | ||
| 89 | L | 30.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -80.4 | -17.4 | 177.6 | -97.3 | 104.9 | 0 | 0 | 0 | 114.9 | T87 | T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.44Å |
| 90 | K | 32.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 68% | 0.683 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -94.2 | -20.1 | -179.8 | -75.3 | -179.1 | 178.9 | 178.5 | 0 | 114.3 | T87 N92 | T87-K90 PolarHBondContact O-N 3.41Å; K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 2.63Å |
| 91 | I | 32.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 62% | 0.621 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -72 | -22.5 | 179.8 | -66.8 | 169.7 | 0 | 0 | 0 | 112.2 | T87 K93 | T87-I91 HydrophobicContact CG2-CD1 4.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.4Å; I91-K93 PolarHBondContact O-N 2.94Å |
| 92 | N | 30.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -78.1 | 9.5 | 179.4 | -81 | -20 | 0 | 0 | 0 | 115.6 | K90 | K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 2.63Å |
| 93 | K | 29 | Very low | 30.8 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -118.5 | 8.4 | -177.9 | -76.5 | -168.8 | 177.4 | -178.1 | 0 | 116.4 | I91 | I91-K93 PolarHBondContact O-N 2.94Š|
| 94 | V | 29.6 | Very low | 31.3 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -101.9 | 106.3 | 176 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | L96 | V94-L96 PolarHBondContact O-N 3.27Š| ||
| 95 | K | 27.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 115.7 | 167.7 | -88 | 178.5 | 172.9 | 177.3 | 0 | 108.9 | ||||
| 96 | L | 28.6 | Very low | 32.2 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.8 | 165.6 | -74.1 | 162.5 | 0 | 0 | 0 | 109.5 | V94 | V94-L96 PolarHBondContact O-N 3.27Š|
| 97 | P | 28.9 | Very low | 32.5 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 142.2 | 175.5 | -3.2 | 17.5 | 0 | 0 | 0 | 110.9 | ||
| 98 | R | 26.6 | Very low | 32.4 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130 | 171.8 | -78.1 | 178.7 | 171.3 | 168.3 | -4.2 | 109.6 | ||
| 99 | L | 30.5 | Very low | 32.5 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.4 | 164.8 | -76.4 | 161.3 | 0 | 0 | 0 | 108.2 | ||
| 100 | E | 29.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 125.1 | 168.2 | -72.2 | -175.2 | 165.7 | 0 | 0 | 109.3 | ||
| 101 | E | 30.7 | Very low | 32.3 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 126 | 168.2 | -74.1 | 178.1 | 156.6 | 0 | 0 | 109.5 | ||
| 102 | K | 32.9 | Very low | 32.1 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -115.5 | 116.3 | 164.9 | -74.3 | -172.4 | 178.6 | 178.4 | 0 | 109.3 | ||||
| 103 | T | 34.1 | Very low | 32 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -88.2 | 135.5 | 169 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 104 | N | 44.8 | Very low | 32 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | trans | -103.2 | 152 | 171.1 | 40 | -4.9 | 0 | 0 | 0 | 110.4 | A106 G107 | N104-A106 PolarHBondContact O-N 3.29Å; N104-G107 PolarHBondContact O-N 3.18Å | ||
| 105 | A | 43.6 | Very low | 32 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 99% | 0.992 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 21.2 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 106 | A | 40.1 | Very low | 32.1 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 0.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | N104 E108 | N104-A106 PolarHBondContact O-N 3.29Å; A106-E108 VanDerWaalsContact C-N 3.32Å; A106-E108 PolarHBondContact O-N 3.24Å |
| 107 | G | 36.2 | Very low | 32 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 13.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | N104 | N104-G107 PolarHBondContact O-N 3.18Š| ||
| 108 | E | 31.8 | Very low | 31.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -108.2 | 124.5 | 178 | -69.4 | -175.2 | 162.6 | 0 | 0 | 112.2 | A106 S110 | A106-E108 VanDerWaalsContact C-N 3.32Å; A106-E108 PolarHBondContact O-N 3.24Å; E108-S110 PolarHBondContact O-N 3.45Å | ||
| 109 | H | 32.7 | Very low | 31.9 | Very low | 184 Ų | 184 | 140 Ų | 140 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -74.3 | 113.5 | 172.3 | -69.7 | -78 | 0 | 0 | 0 | 110 | ||||
| 110 | S | 29.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -120.2 | 126.9 | 166.9 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | E108 | E108-S110 PolarHBondContact O-N 3.45Š| ||
| 111 | Y | 28.7 | Very low | 31.8 | Very low | 222 Ų | 222 | 132.8 Ų | 132.8 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | trans | -85.9 | 113 | 173.4 | -69.1 | -85.3 | 0 | 0 | 0 | 108.7 | ||||
| 112 | S | 28.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -103 | 121.1 | 165.9 | 179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 113 | T | 29.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | -99.3 | 82.8 | 175.8 | 42.4 | 0 | 0 | 0 | 0 | 110.7 | H115 | T113-H115 PolarHBondContact O-N 3.2Š| ||
| 114 | D | 27.4 | Very low | 31.7 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -80.9 | 102.1 | 160.9 | -82.4 | -35.6 | 0 | 0 | 0 | 109.3 | A116 | D114-A116 PolarHBondContact O-N 3.44Å; D114-A116 VanDerWaalsContact O-N 3.11Å | ||
| 115 | H | 31.2 | Very low | 31 | Very low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | -73.3 | 95 | 170.8 | -82.2 | -67.7 | 0 | 0 | 0 | 110.4 | T113 A117 | T113-H115 PolarHBondContact O-N 3.2Å; H115-A117 PolarHBondContact O-N 2.86Å; H115-A117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | A | 27.4 | Very low | 30.2 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -69.9 | 102.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | D114 V118 | D114-A116 PolarHBondContact O-N 3.44Å; D114-A116 VanDerWaalsContact O-N 3.11Å; A116-V118 PolarHBondContact O-N 3.41Å | ||
| 117 | A | 26.4 | Very low | 29.7 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -65.8 | 117.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | H115 Q119 | H115-A117 PolarHBondContact O-N 2.86Å; H115-A117 VanDerWaalsContact O-N 3.15Å; A117-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | V | 27.9 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | -71.9 | 101.9 | 164.5 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | A116 I120 | A116-V118 PolarHBondContact O-N 3.41Å; V118-I120 HydrophobicContact CG1-CG1 4.38Å; V118-I120 PolarHBondContact O-N 3.13Å | ||
| 119 | Q | 25.5 | Very low | 29 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.7 | 168 | -76 | -173.8 | -54.5 | 0 | 0 | 108.6 | A117 | A117-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact O-N 3.12Å |
| 120 | I | 29.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 121.3 | 161.2 | -58.8 | 175.2 | 0 | 0 | 0 | 105.3 | V118 | V118-I120 HydrophobicContact CG1-CG1 4.38Å; V118-I120 PolarHBondContact O-N 3.13Å |
| 121 | S | 29.1 | Very low | 28.6 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 48% | 0.476 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 138.5 | -179.8 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | E123 Q124 | S121-E123 PolarHBondContact O-N 3.48Å; S121-Q124 PolarHBondContact O-N 3.05Å |
| 122 | E | 32.4 | Very low | 28.4 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -56.7 | -20.8 | -178.8 | -74 | 174.4 | 151.4 | 0 | 0 | 114 | Q124 V125 | E122-Q124 VanDerWaalsContact C-N 3.26Å; E122-Q124 PolarHBondContact O-N 3.38Å; E122-V125 PolarHBondContact O-N 2.82Å |
| 123 | E | 32.3 | Very low | 28.2 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -70.3 | -13.2 | 178.6 | -70.5 | 176.7 | 159.9 | 0 | 0 | 114.7 | S121 | S121-E123 PolarHBondContact O-N 3.48Š|
| 124 | Q | 30.3 | Very low | 27.9 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.1 | -7.8 | 174.8 | -72.7 | -162.9 | -29.5 | 0 | 0 | 114.2 | S121 E122 | S121-Q124 PolarHBondContact O-N 3.05Å; E122-Q124 VanDerWaalsContact C-N 3.26Å; E122-Q124 PolarHBondContact O-N 3.38Å |
| 125 | V | 31 | Very low | 27.8 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -17.8 | -179 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | E122 S127 | E122-V125 PolarHBondContact O-N 2.82Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.26Å |
| 126 | V | 27.2 | Very low | 27.4 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 12.7 | -170.8 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 127 | S | 29 | Very low | 27.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 16.3 | 178.9 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | V125 | V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.26Å |
| 128 | L | 27.9 | Very low | 28 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -129.4 | 9.4 | -178.5 | -71.4 | 170.5 | 0 | 0 | 0 | 115.2 | ||
| 129 | E | 26.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -99.3 | 13.2 | -173.3 | -72.1 | -173.7 | 146.3 | 0 | 0 | 115.7 | ||||
| 130 | Q | 26.1 | Very low | 30 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -120.3 | 78.2 | 175.2 | -72 | -169.9 | -24.7 | 0 | 0 | 112 | ||||
| 131 | E | 27 | Very low | 31.3 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -159.4 | 80.6 | 153.6 | -113.1 | 173.6 | -158.6 | 0 | 0 | 109.6 | L133 | E131-L133 PolarHBondContact O-N 3.48Å; E131-L133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | T | 23.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 92% | 0.92 | 66% | 0.663 | S | S | * | * | trans | -70.6 | 95.9 | 172.3 | -13.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 133 | L | 23.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 123 Ų | 123 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | trans | -95.8 | 110.8 | 170 | -100.2 | 145.6 | 0 | 0 | 0 | 109.4 | L78 E131 V135 | L78-L133 HydrophobicContact CD1-CD1 3.95Å; E131-L133 PolarHBondContact O-N 3.48Å; E131-L133 VanDerWaalsContact O-N 3.1Å; L133-V135 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact O-N 3.13Å | ||
| 134 | Q | 23 | Very low | 34.1 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 84% | 0.841 | 64% | 0.644 | S | S | * | * | trans | -54.7 | 112.8 | 169.4 | -71.3 | -179.7 | -23.6 | 0 | 0 | 109.5 | ||||
| 135 | V | 25.8 | Very low | 35.1 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -92.3 | 100 | 168.1 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | P76 T77 L133 | P76-V135 HydrophobicContact CB-CG2 4.26Å; T77-V135 HydrophobicContact CG2-CG1 4.48Å; T77-V135 HydrophobicContact CG2-CG2 3.61Å; L133-V135 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact O-N 3.13Å | ||
| 136 | E | 24 | Very low | 36.2 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | trans | -63.2 | 142.5 | 168.7 | -69.6 | -144 | 160.4 | 0 | 0 | 110.2 | Y138 | E136-Y138 PolarHBondContact O-N 3.02Š| ||
| 137 | P | 33.1 | Very low | 37.6 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | trans | -65.8 | 98.4 | 178.3 | 26.7 | -31.3 | 0 | 0 | 0 | 109.1 | P139 | P137-P139 WeakPolarHBondContact O-CD 3.49Š| ||
| 138 | Y | 32.5 | Very low | 39 | Very low | 199 Ų | 199 | 113.7 Ų | 113.7 | 78% | 0.78 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.5 | 174.4 | -126.1 | -91.8 | 0 | 0 | 0 | 108.3 | E136 S140 F210 | E136-Y138 PolarHBondContact O-N 3.02Å; Y138-S140 PolarHBondContact O-N 3.46Å; Y138-F210 WeakPolarHBondContact O-CE2 3.46Å |
| 139 | P | 43.4 | Very low | 40.5 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -54 | 138.4 | 175.4 | 21.8 | -31 | 0 | 0 | 0 | 108.7 | P137 | P137-P139 WeakPolarHBondContact O-CD 3.49Š|
| 140 | S | 51.3 | Low | 42.2 | Very low | 6 Ų | 6 | 106 Ų | 106 | 4% | 0.042 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -54.4 | 133 | 178.6 | 89.6 | 0 | 0 | 0 | 0 | 107.2 | Y138 W142 Q143 | Y138-S140 PolarHBondContact O-N 3.46Å; S140-W142 PolarHBondContact O-N 2.79Å; S140-W142 VanDerWaalsContact OG-CD1 3.27Å; S140-W142 PolarHBondContact OG-NE1 3.41Å; S140-Q143 WeakPolarHBondContact O-CB 3.38Å; S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 VanDerWaalsContact OG-CB 3.3Å; S140-Q143 WeakPolarHBondContact OG-CB 3.22Å; S140-Q143 WeakPolarHBondContact OG-CG 3.39Å; S140-Q143 PolarHBondContact OG-N 3.3Å; S140-Q143 VanDerWaalsContact OG-N 3.08Å |
| 141 | P | 57 | Low | 43.2 | Very low | 100 Ų | 100 | 100.4 Ų | 100.4 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.6 | -172.5 | -23.5 | 28.3 | 0 | 0 | 0 | 114.6 | ||
| 142 | W | 61.1 | Low | 44.2 | Very low | 21 Ų | 21 | 94.2 Ų | 94.2 | 8% | 0.08 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 2.8 | 178.9 | 38 | 83.3 | 0 | 0 | 0 | 114.2 | S140 T144 A145 L146 S163 F164 I171 C208 E215 V217 | S140-W142 PolarHBondContact O-N 2.79Å; S140-W142 VanDerWaalsContact OG-CD1 3.27Å; S140-W142 PolarHBondContact OG-NE1 3.41Å; W142-T144 VanDerWaalsContact C-N 3.25Å; W142-T144 PolarHBondContact O-N 3.28Å; W142-A145 CarbonylContact O-C 3.51Å; W142-A145 WeakPolarHBondContact O-CA 3.26Å; W142-A145 PolarHBondContact O-N 2.84Å; W142-L146 PolarHBondContact O-N 3.39Å; W142-S163 VanDerWaalsContact CB-O 3.32Å; W142-S163 WeakPolarHBondContact CB-O 3.43Å; W142-F164 HydrophobicContact CE3-CD2 4.07Å; W142-F164 HydrophobicContact CZ3-CD2 4.14Å; W142-F164 HydrophobicContact CZ3-CE2 4.22Å; W142-I171 HydrophobicContact CB-CD1 4.05Å; W142-I171 VanDerWaalsContact CD1-CD1 3.48Å; W142-I171 HydrophobicContact CG-CD1 3.83Å; W142-C208 HydrophobicContact CH2-CB 3.95Å; W142-C208 WeakPolarHBondContact CH2-SG 3.41Å; W142-C208 HydrophobicContact CZ2-CB 3.48Å; W142-C208 VanDerWaalsContact CZ2-CB 3.48Å; W142-C208 WeakPolarHBondContact CZ2-SG 3.39Å; W142-E215 PolarHBondContact NE1-OE2 3.28Å; W142-V217 HydrophobicContact CZ2-CG2 4.47Å |
| 143 | Q | 49 | Very low | 45.4 | Very low | 75 Ų | 75 | 93.6 Ų | 93.6 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -64.1 | -31.4 | -177.8 | -119.4 | 167.9 | -11.8 | 0 | 0 | 112.2 | S140 A145 L146 | S140-Q143 WeakPolarHBondContact O-CB 3.38Å; S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 VanDerWaalsContact OG-CB 3.3Å; S140-Q143 WeakPolarHBondContact OG-CB 3.22Å; S140-Q143 WeakPolarHBondContact OG-CG 3.39Å; S140-Q143 PolarHBondContact OG-N 3.3Å; S140-Q143 VanDerWaalsContact OG-N 3.08Å; Q143-A145 PolarHBondContact O-N 2.99Å; Q143-L146 HydrophobicContact CG-CD1 4.01Å |
| 144 | T | 43.8 | Very low | 46.7 | Very low | 146 Ų | 146 | 89.8 Ų | 89.8 | 90% | 0.896 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -69.9 | -5.2 | 173 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | W142 | W142-T144 VanDerWaalsContact C-N 3.25Å; W142-T144 PolarHBondContact O-N 3.28Å |
| 145 | A | 50.6 | Low | 48.2 | Very low | 35 Ų | 35 | 85.2 Ų | 85.2 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -126.3 | 5.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | W142 Q143 S147 G162 | W142-A145 CarbonylContact O-C 3.51Å; W142-A145 WeakPolarHBondContact O-CA 3.26Å; W142-A145 PolarHBondContact O-N 2.84Å; Q143-A145 PolarHBondContact O-N 2.99Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.33Å; A145-G162 WeakPolarHBondContact O-CA 3.26Å |
| 146 | L | 54.1 | Low | 49.9 | Very low | 52 Ų | 52 | 83.8 Ų | 83.8 | 27% | 0.272 | 48% | 0.483 | S | S | . | . | trans | -65.6 | 95.4 | 174.8 | -81.8 | 165.2 | 0 | 0 | 0 | 109.2 | W142 Q143 Y160 I171 | W142-L146 PolarHBondContact O-N 3.39Å; Q143-L146 HydrophobicContact CG-CD1 4.01Å; L146-Y160 HydrophobicContact CD2-CD1 4.34Å; L146-Y160 HydrophobicContact CD2-CD2 4.39Å; L146-Y160 HydrophobicContact CD2-CG 3.81Å; L146-I171 HydrophobicContact CD2-CD1 3.76Å; L146-I171 HydrophobicContact CG-CD1 4.47Å | ||
| 147 | S | 57.4 | Low | 52.1 | Low | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.7 | 175.6 | 62.9 | 0 | 0 | 0 | 0 | 108.3 | A145 I161 | A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.33Å; S147-I161 PolarHBondContact N-O 2.8Å; S147-I161 WeakPolarHBondContact O-CB 3.45Å; S147-I161 PolarHBondContact O-N 2.8Å |
| 148 | E | 58.4 | Low | 54.4 | Low | 137 Ų | 137 | 72.2 Ų | 72.2 | 64% | 0.64 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 121.3 | 166.7 | -155.5 | 173.2 | 172.1 | 0 | 0 | 117.1 | L150 I161 | E148-L150 PolarHBondContact O-N 2.82Å; E148-I161 PolarHBondContact O-N 3.08Å |
| 149 | R | 59.6 | Low | 56.9 | Low | 110 Ų | 110 | 64.2 Ų | 64.2 | 42% | 0.415 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 128 | 171.5 | -170.9 | 179.1 | -175.1 | -160 | -0.5 | 108.1 | G151 S158 Y160 | R149-G151 PolarHBondContact O-N 3.35Å; R149-S158 PolarHBondContact NH2-OG 3.48Å; R149-Y160 HydrophobicContact CB-CD1 4.32Å; R149-Y160 HydrophobicContact CB-CE1 4.31Å; R149-Y160 HydrophobicContact CG-CD1 4.49Å; R149-Y160 HydrophobicContact CG-CE1 4.27Å |
| 150 | L | 60.4 | Low | 59 | Low | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 20.9 | -176.5 | -87.6 | 172.2 | 0 | 0 | 0 | 114.9 | E148 C152 V159 I161 Y220 | E148-L150 PolarHBondContact O-N 2.82Å; L150-C152 PolarHBondContact O-N 3.48Å; L150-C152 PolarHBondContact O-SG 3.01Å; L150-C152 VanDerWaalsContact O-SG 3.34Å; L150-V159 HydrophobicContact CD1-CG1 4.05Å; L150-V159 PolarHBondContact N-O 3.29Å; L150-V159 VanDerWaalsContact N-O 3.1Å; L150-I161 HydrophobicContact CD1-CD1 4.45Å; L150-I161 HydrophobicContact CD1-CG1 3.68Å; L150-I161 HydrophobicContact CD2-CD1 3.6Å; L150-I161 HydrophobicContact CD2-CG1 3.66Å; L150-I161 HydrophobicContact CG-CD1 4.04Å; L150-I161 HydrophobicContact CG-CG1 3.48Å; L150-I161 VanDerWaalsContact CG-CG1 3.48Å; L150-Y220 HydrophobicContact CD1-CE2 4.1Å; L150-Y220 HydrophobicContact CD2-CE2 4.37Å |
| 151 | G | 48 | Very low | 60.7 | Low | 70 Ų | 70 | 64 Ų | 64 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.3 | -12 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R149 Q153 | R149-G151 PolarHBondContact O-N 3.35Å; G151-Q153 PolarHBondContact O-N 3.42Å |
| 152 | C | 48.9 | Very low | 62.2 | Low | 47 Ų | 47 | 59.4 Ų | 59.4 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 98.3 | -176.8 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | L150 G154 | L150-C152 PolarHBondContact O-N 3.48Å; L150-C152 PolarHBondContact O-SG 3.01Å; L150-C152 VanDerWaalsContact O-SG 3.34Å; C152-G154 PolarHBondContact O-N 3.17Å |
| 153 | Q | 48.6 | Very low | 63.5 | Low | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 90.9 | 159.4 | -162 | 165.2 | -5.4 | 0 | 0 | 107.1 | G151 | G151-Q153 PolarHBondContact O-N 3.42Å |
| 154 | G | 50.7 | Low | 65.3 | Low | 30 Ų | 30 | 59 Ų | 59 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 157.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | C152 F156 G157 | C152-G154 PolarHBondContact O-N 3.17Å; G154-F156 PolarHBondContact O-N 3.31Å; G154-G157 PolarHBondContact N-O 2.81Å; G154-G157 PolarHBondContact O-N 3.26Å; G154-G157 VanDerWaalsContact O-N 3.15Å |
| 155 | G | 55.3 | Low | 67.3 | Low | 84 Ų | 84 | 58.7 Ų | 58.7 | 87% | 0.866 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -8.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 156 | F | 60.2 | Low | 69.1 | Low | 64 Ų | 64 | 60.4 Ų | 60.4 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -8.2 | -175.8 | -54.4 | -74.4 | 0 | 0 | 0 | 114.3 | G154 L174 H175 S186 C287 | G154-F156 PolarHBondContact O-N 3.31Å; F156-L174 HydrophobicContact CB-CD2 4.38Å; F156-L174 WeakPolarHBondContact O-CA 3.49Å; F156-H175 PolarHBondContact O-N 2.98Å; F156-S186 WeakPolarHBondContact CD1-OG 3.24Å; F156-C287 WeakPolarHBondContact CZ-SG 3.31Å |
| 157 | G | 71.3 | Confident | 70.7 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 173 | -165 | 0 | 0 | 0 | 0 | 0 | 116.3 | G154 R173 H175 | G154-G157 PolarHBondContact N-O 2.81Å; G154-G157 PolarHBondContact O-N 3.26Å; G154-G157 VanDerWaalsContact O-N 3.15Å; G157-R173 CarbonylContact C-O 3.56Å; G157-R173 WeakPolarHBondContact CA-O 3.47Å; G157-H175 VanDerWaalsContact C-CD2 3.48Å; G157-H175 WeakPolarHBondContact CA-CD2 3.49Å |
| 158 | S | 81.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.3 | 165.7 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | R149 R173 H175 | R149-S158 PolarHBondContact NH2-OG 3.48Å; S158-R173 PolarHBondContact N-O 3.1Å; S158-R173 PolarHBondContact O-N 3.14Å; S158-H175 PolarHBondContact N-NE2 2.91Å; S158-H175 PolarHBondContact OG-CE1 2.88Å; S158-H175 PolarHBondContact OG-NE2 3.16Å |
| 159 | V | 85.6 | Confident | 73.8 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.6 | 178.6 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | L150 A170 I171 K172 | L150-V159 HydrophobicContact CD1-CG1 4.05Å; L150-V159 PolarHBondContact N-O 3.29Å; L150-V159 VanDerWaalsContact N-O 3.1Å; V159-A170 HydrophobicContact CG1-CB 4.24Å; V159-I171 WeakPolarHBondContact CA-O 3.34Å; V159-K172 HydrophobicContact CG2-CB 4.18Å; V159-K172 HydrophobicContact CG2-CG 4.11Å |
| 160 | Y | 86.6 | Confident | 75.3 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.3 | -179.9 | -56.2 | -92.4 | 0 | 0 | 0 | 110.3 | L146 R149 A170 I171 R173 | L146-Y160 HydrophobicContact CD2-CD1 4.34Å; L146-Y160 HydrophobicContact CD2-CD2 4.39Å; L146-Y160 HydrophobicContact CD2-CG 3.81Å; R149-Y160 HydrophobicContact CB-CD1 4.32Å; R149-Y160 HydrophobicContact CB-CE1 4.31Å; R149-Y160 HydrophobicContact CG-CD1 4.49Å; R149-Y160 HydrophobicContact CG-CE1 4.27Å; Y160-A170 WeakPolarHBondContact O-CA 3.39Å; Y160-I171 PolarHBondContact N-O 2.68Å; Y160-I171 PolarHBondContact O-N 3.38Å; Y160-R173 HydrophobicContact CE2-CB 4.1Å |
| 161 | I | 87.9 | Confident | 76.7 | Confident | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.1 | 162.5 | -48.2 | -176.2 | 0 | 0 | 0 | 107.9 | S147 E148 L150 Y220 | S147-I161 PolarHBondContact N-O 2.8Å; S147-I161 WeakPolarHBondContact O-CB 3.45Å; S147-I161 PolarHBondContact O-N 2.8Å; E148-I161 PolarHBondContact O-N 3.08Å; L150-I161 HydrophobicContact CD1-CD1 4.45Å; L150-I161 HydrophobicContact CD1-CG1 3.68Å; L150-I161 HydrophobicContact CD2-CD1 3.6Å; L150-I161 HydrophobicContact CD2-CG1 3.66Å; L150-I161 HydrophobicContact CG-CD1 4.04Å; L150-I161 HydrophobicContact CG-CG1 3.48Å; L150-I161 VanDerWaalsContact CG-CG1 3.48Å; I161-Y220 HydrophobicContact CD1-CE2 3.87Å; I161-Y220 HydrophobicContact CG1-CE2 4.07Å |
| 162 | G | 88.4 | Confident | 78.6 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -165.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A145 P168 A169 | A145-G162 WeakPolarHBondContact O-CA 3.26Å; G162-P168 WeakPolarHBondContact O-CA 3.31Å; G162-A169 PolarHBondContact N-O 2.83Å; G162-A169 PolarHBondContact O-N 3.12Å |
| 163 | S | 88 | Confident | 80.3 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.6 | 174.9 | -177 | 0 | 0 | 0 | 0 | 110.1 | W142 K167 | W142-S163 VanDerWaalsContact CB-O 3.32Å; W142-S163 WeakPolarHBondContact CB-O 3.43Å; S163-K167 CarbonylContact C-O 3.55Å; S163-K167 WeakPolarHBondContact CA-O 3.39Å |
| 164 | F | 86.1 | Confident | 81.7 | Confident | 45 Ų | 45 | 45 Ų | 45 | 20% | 0.197 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.9 | 172.1 | -178.9 | -101.8 | 0 | 0 | 0 | 109 | W142 G166 K167 A169 L205 T206 V217 | W142-F164 HydrophobicContact CE3-CD2 4.07Å; W142-F164 HydrophobicContact CZ3-CD2 4.14Å; W142-F164 HydrophobicContact CZ3-CE2 4.22Å; F164-G166 PolarHBondContact O-N 2.97Å; F164-K167 PolarHBondContact N-O 2.68Å; F164-K167 PolarHBondContact O-N 3.16Å; F164-A169 HydrophobicContact CB-CB 3.77Å; F164-L205 HydrophobicContact CB-CD1 4.37Å; F164-L205 HydrophobicContact CD1-CB 4.13Å; F164-L205 HydrophobicContact CD1-CD1 3.8Å; F164-L205 HydrophobicContact CE1-CB 4.06Å; F164-L205 HydrophobicContact CG-CD1 4.35Å; F164-T206 HydrophobicContact CD2-CG2 4.21Å; F164-T206 HydrophobicContact CE2-CG2 3.57Å; F164-T206 HydrophobicContact CZ-CG2 3.89Å; F164-V217 HydrophobicContact CB-CG1 4.09Å; F164-V217 HydrophobicContact CD2-CG1 4.23Å; F164-V217 HydrophobicContact CG-CG1 4.17Å |
| 165 | N | 87.1 | Confident | 82.7 | Confident | 139 Ų | 139 | 47.7 Ų | 47.7 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.7 | -174.4 | -64.5 | -19.2 | 0 | 0 | 0 | 113.2 | K167 | N165-K167 VanDerWaalsContact C-N 3.26Å; N165-K167 PolarHBondContact O-N 3.26Å |
| 166 | G | 86.5 | Confident | 83.1 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 73% | 0.732 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 8.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F164 | F164-G166 PolarHBondContact O-N 2.97Š|
| 167 | K | 88.9 | Confident | 83.1 | Confident | 154 Ų | 154 | 48.8 Ų | 48.8 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 146.7 | 177.6 | -64.7 | -176.8 | -179.1 | -179.2 | 0 | 111.1 | S163 F164 N165 A169 | S163-K167 CarbonylContact C-O 3.55Å; S163-K167 WeakPolarHBondContact CA-O 3.39Å; F164-K167 PolarHBondContact N-O 2.68Å; F164-K167 PolarHBondContact O-N 3.16Å; N165-K167 VanDerWaalsContact C-N 3.26Å; N165-K167 PolarHBondContact O-N 3.26Å; K167-A169 PolarHBondContact O-N 3.42Å |
| 168 | P | 90 | Very high | 82.2 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 134 | 173.3 | -25 | 34.4 | 0 | 0 | 0 | 112.1 | G162 Y220 | G162-P168 WeakPolarHBondContact O-CA 3.31Å; P168-Y220 HydrophobicContact CB-CD1 4.26Å; P168-Y220 HydrophobicContact CB-CG 4.39Å |
| 169 | A | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G162 F164 K167 L205 V217 C218 | G162-A169 PolarHBondContact N-O 2.83Å; G162-A169 PolarHBondContact O-N 3.12Å; F164-A169 HydrophobicContact CB-CB 3.77Å; K167-A169 PolarHBondContact O-N 3.42Å; A169-L205 HydrophobicContact CB-CD1 4.36Å; A169-V217 HydrophobicContact CB-CG1 4.02Å; A169-C218 CarbonylContact C-O 3.6Å; A169-C218 WeakPolarHBondContact CA-O 3.44Å; A169-C218 WeakPolarHBondContact CB-O 3.48Å |
| 170 | A | 91.3 | Very high | 79.9 | Confident | 15 Ų | 15 | 67 Ų | 67 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | V159 Y160 C218 | V159-A170 HydrophobicContact CG1-CB 4.24Å; Y160-A170 WeakPolarHBondContact O-CA 3.39Å; A170-C218 HydrophobicContact CB-CB 4.44Å; A170-C218 PolarHBondContact N-O 3.38Å; A170-C218 PolarHBondContact O-N 3.22Å |
| 171 | I | 88.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 105.9 | -178 | -58.3 | 160.9 | 0 | 0 | 0 | 107.6 | W142 L146 V159 Y160 E215 V217 | W142-I171 HydrophobicContact CB-CD1 4.05Å; W142-I171 VanDerWaalsContact CD1-CD1 3.48Å; W142-I171 HydrophobicContact CG-CD1 3.83Å; L146-I171 HydrophobicContact CD2-CD1 3.76Å; L146-I171 HydrophobicContact CG-CD1 4.47Å; V159-I171 WeakPolarHBondContact CA-O 3.34Å; Y160-I171 PolarHBondContact N-O 2.68Å; Y160-I171 PolarHBondContact O-N 3.38Å; I171-E215 HydrophobicContact CG2-CB 4.14Å; I171-E215 HydrophobicContact CG2-CG 4.29Å; I171-V217 HydrophobicContact CG1-CG1 4.41Å; I171-V217 HydrophobicContact CG1-CG2 4.48Å |
| 172 | K | 87.3 | Confident | 77.7 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 9% | 0.087 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 105.7 | 175.6 | -178.7 | 176.8 | 179.7 | -174.8 | 0 | 108.6 | V159 L174 E190 E215 V216 D284 | V159-K172 HydrophobicContact CG2-CB 4.18Å; V159-K172 HydrophobicContact CG2-CG 4.11Å; K172-L174 HydrophobicContact CD-CD2 4.24Å; K172-L174 HydrophobicContact CG-CD2 4.12Å; K172-E190 IonicContact NZ-OE1 2.81Å; K172-E190 PolarHBondContact NZ-OE1 3.23Å; K172-E215 CarbonylContact O-C 3.29Å; K172-E215 WeakPolarHBondContact O-CA 3.23Å; K172-V216 HydrophobicContact CB-CB 4.34Å; K172-V216 PolarHBondContact N-O 3.12Å; K172-V216 PolarHBondContact O-N 3.43Å; K172-D284 IonicContact NZ-OD1 2.73Å; K172-D284 PolarHBondContact NZ-OD1 3.05Å; K172-D284 IonicContact NZ-OD2 3.42Å |
| 173 | R | 85.3 | Confident | 76.7 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.7 | 172.2 | -173.6 | 175.2 | -66.6 | 160.1 | 0.5 | 109 | G157 S158 Y160 E215 | G157-R173 CarbonylContact C-O 3.56Å; G157-R173 WeakPolarHBondContact CA-O 3.47Å; S158-R173 PolarHBondContact N-O 3.1Å; S158-R173 PolarHBondContact O-N 3.14Å; Y160-R173 HydrophobicContact CE2-CB 4.1Å; R173-E215 HydrophobicContact CB-CG 4.21Å; R173-E215 HydrophobicContact CG-CG 4.16Å; R173-E215 IonicContact CZ-OE1 3.15Å; R173-E215 IonicContact NE-OE1 2.78Å; R173-E215 PolarHBondContact NE-OE1 3.25Å; R173-E215 IonicContact NH2-OE1 2.68Å; R173-E215 PolarHBondContact NH2-OE1 3.07Å |
| 174 | L | 78.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.1 | 178 | -57.3 | 178.7 | 0 | 0 | 0 | 109 | F156 K172 K176 T183 F187 V214 V216 | F156-L174 HydrophobicContact CB-CD2 4.38Å; F156-L174 WeakPolarHBondContact O-CA 3.49Å; K172-L174 HydrophobicContact CD-CD2 4.24Å; K172-L174 HydrophobicContact CG-CD2 4.12Å; L174-K176 PolarHBondContact O-N 3.07Å; L174-T183 HydrophobicContact CB-CG2 4.01Å; L174-F187 HydrophobicContact CD1-CB 3.8Å; L174-F187 HydrophobicContact CD1-CD2 4.27Å; L174-V214 HydrophobicContact CD1-CB 4.31Å; L174-V214 HydrophobicContact CD1-CG1 4.24Å; L174-V214 PolarHBondContact N-O 2.67Å; L174-V216 HydrophobicContact CD1-CG2 4.46Å |
| 175 | H | 70.8 | Confident | 75.1 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -68 | 133.8 | 177.7 | -74.5 | -76.9 | 0 | 0 | 0 | 109.2 | F156 G157 S158 S177 T183 | F156-H175 PolarHBondContact O-N 2.98Å; G157-H175 VanDerWaalsContact C-CD2 3.48Å; G157-H175 WeakPolarHBondContact CA-CD2 3.49Å; S158-H175 PolarHBondContact N-NE2 2.91Å; S158-H175 PolarHBondContact OG-CE1 2.88Å; S158-H175 PolarHBondContact OG-NE2 3.16Å; H175-S177 PolarHBondContact O-N 2.87Å; H175-T183 WeakPolarHBondContact O-CG2 3.49Å; H175-T183 PolarHBondContact O-OG1 3.39Å |
| 176 | K | 65.5 | Low | 74.3 | Confident | 119 Ų | 119 | 69.4 Ų | 69.4 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | trans | -62.8 | 109.9 | 162.8 | -80.2 | -171.7 | 169.6 | -161.3 | 0 | 108.3 | L174 E212 | L174-K176 PolarHBondContact O-N 3.07Å; K176-E212 WeakPolarHBondContact CE-O 3.38Å; K176-E212 VanDerWaalsContact NZ-CD 3.3Å; K176-E212 IonicContact NZ-OE2 2.53Å; K176-E212 PolarHBondContact NZ-OE2 3.38Å | ||
| 177 | S | 60 | Low | 73.9 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -80.2 | 151.6 | 167.6 | 130.8 | 0 | 0 | 0 | 0 | 108.4 | H175 N179 T183 | H175-S177 PolarHBondContact O-N 2.87Å; S177-N179 CarbonylContact O-C 3.59Å; S177-N179 PolarHBondContact O-N 3.13Å; S177-N179 VanDerWaalsContact O-N 3.12Å; S177-N179 WeakPolarHBondContact OG-CA 3.3Å; S177-N179 WeakPolarHBondContact OG-CB 3.47Å; S177-N179 PolarHBondContact OG-N 2.76Å; S177-N179 PolarHBondContact OG-O 3.23Å; S177-T183 PolarHBondContact N-OG1 3.25Å; S177-T183 VanDerWaalsContact N-OG1 3.17Å | ||
| 178 | K | 51.7 | Low | 73.4 | Confident | 223 Ų | 223 | 61.4 Ų | 61.4 | 97% | 0.97 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -56.6 | -24.5 | 170.3 | -68.4 | -173.5 | 178.1 | -175.9 | 0 | 112 | ||
| 179 | N | 53.5 | Low | 73.2 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 65% | 0.647 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -97.6 | 98 | 166.7 | -83.8 | -17.3 | 0 | 0 | 0 | 109.9 | S177 H181 A182 | S177-N179 CarbonylContact O-C 3.59Å; S177-N179 PolarHBondContact O-N 3.13Å; S177-N179 VanDerWaalsContact O-N 3.12Å; S177-N179 WeakPolarHBondContact OG-CA 3.3Å; S177-N179 WeakPolarHBondContact OG-CB 3.47Å; S177-N179 PolarHBondContact OG-N 2.76Å; S177-N179 PolarHBondContact OG-O 3.23Å; N179-H181 PolarHBondContact O-N 2.89Å; N179-A182 PolarHBondContact O-N 3Å; N179-A182 VanDerWaalsContact O-N 3.17Å |
| 180 | D | 64.4 | Low | 72.9 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.4 | -30.7 | 178 | -165.7 | 29.6 | 0 | 0 | 0 | 112.1 | A182 T183 Q184 | D180-A182 PolarHBondContact O-N 3.38Å; D180-T183 PolarHBondContact O-N 3.24Å; D180-Q184 WeakPolarHBondContact O-CB 3.3Å; D180-Q184 VanDerWaalsContact O-CG 3.25Å; D180-Q184 WeakPolarHBondContact O-CG 3.28Å; D180-Q184 PolarHBondContact O-N 3.11Å; D180-Q184 PolarHBondContact OD2-NE2 3.35Å |
| 181 | H | 65.1 | Low | 72.6 | Confident | 153 Ų | 153 | 58.5 Ų | 58.5 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.8 | -39.1 | 178.9 | -117.1 | -69.5 | 0 | 0 | 0 | 115.2 | N179 H185 | N179-H181 PolarHBondContact O-N 2.89Å; H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.92Å |
| 182 | A | 64.4 | Low | 72.6 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.2 | -40.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N179 D180 H185 S186 | N179-A182 PolarHBondContact O-N 3Å; N179-A182 VanDerWaalsContact O-N 3.17Å; D180-A182 PolarHBondContact O-N 3.38Å; A182-H185 PolarHBondContact O-N 3.35Å; A182-S186 PolarHBondContact O-N 2.98Å |
| 183 | T | 66.3 | Low | 72.6 | Confident | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 174.5 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | L174 H175 S177 D180 S186 F187 | L174-T183 HydrophobicContact CB-CG2 4.01Å; H175-T183 WeakPolarHBondContact O-CG2 3.49Å; H175-T183 PolarHBondContact O-OG1 3.39Å; S177-T183 PolarHBondContact N-OG1 3.25Å; S177-T183 VanDerWaalsContact N-OG1 3.17Å; D180-T183 PolarHBondContact O-N 3.24Å; T183-S186 PolarHBondContact O-N 3.2Å; T183-F187 WeakPolarHBondContact O-CB 3.43Å; T183-F187 PolarHBondContact O-N 3.2Å |
| 184 | Q | 69.2 | Low | 72.8 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.2 | -71.8 | 179.9 | 6 | 0 | 0 | 112.3 | D180 F187 C188 | D180-Q184 WeakPolarHBondContact O-CB 3.3Å; D180-Q184 VanDerWaalsContact O-CG 3.25Å; D180-Q184 WeakPolarHBondContact O-CG 3.28Å; D180-Q184 PolarHBondContact O-N 3.11Å; D180-Q184 PolarHBondContact OD2-NE2 3.35Å; Q184-F187 PolarHBondContact O-N 3.15Å; Q184-C188 WeakPolarHBondContact O-CB 3.16Å; Q184-C188 PolarHBondContact O-N 3.4Å; Q184-C188 PolarHBondContact O-SG 3.07Å; Q184-C188 VanDerWaalsContact O-SG 3.37Å |
| 185 | H | 71.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.3 | -176 | -78.7 | 0 | 0 | 0 | 111.4 | H181 A182 F187 C188 A189 | H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.92Å; A182-H185 PolarHBondContact O-N 3.35Å; H185-F187 VanDerWaalsContact C-N 3.31Å; H185-F187 PolarHBondContact O-N 2.83Å; H185-C188 PolarHBondContact O-N 3.37Å; H185-A189 WeakPolarHBondContact O-CB 3.3Å; H185-A189 PolarHBondContact O-N 2.86Å |
| 186 | S | 71.6 | Confident | 74.3 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.5 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | F156 A182 T183 A189 E190 G286 | F156-S186 WeakPolarHBondContact CD1-OG 3.24Å; A182-S186 PolarHBondContact O-N 2.98Å; T183-S186 PolarHBondContact O-N 3.2Å; S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 2.9Å; S186-E190 WeakPolarHBondContact O-CG 3.46Å; S186-E190 PolarHBondContact O-N 3.36Å; S186-G286 WeakPolarHBondContact CA-O 3.34Å; S186-G286 PolarHBondContact OG-O 2.97Å |
| 187 | F | 77.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.4 | 177.2 | -115.1 | 0 | 0 | 0 | 112.9 | L70 L174 T183 Q184 H185 A189 E190 L191 F207 V214 | L70-F187 HydrophobicContact CD2-CD1 4.11Å; L70-F187 HydrophobicContact CD2-CE1 3.92Å; L174-F187 HydrophobicContact CD1-CB 3.8Å; L174-F187 HydrophobicContact CD1-CD2 4.27Å; T183-F187 WeakPolarHBondContact O-CB 3.43Å; T183-F187 PolarHBondContact O-N 3.2Å; Q184-F187 PolarHBondContact O-N 3.15Å; H185-F187 VanDerWaalsContact C-N 3.31Å; H185-F187 PolarHBondContact O-N 2.83Å; F187-A189 PolarHBondContact O-N 3.47Å; F187-E190 PolarHBondContact O-N 3.08Å; F187-L191 HydrophobicContact CD1-CD1 3.95Å; F187-L191 HydrophobicContact CE1-CD1 3.53Å; F187-L191 HydrophobicContact CE1-CG 4.29Å; F187-L191 HydrophobicContact CE2-CD1 4.49Å; F187-L191 HydrophobicContact CE2-CG 4.41Å; F187-L191 HydrophobicContact CZ-CD1 3.86Å; F187-L191 HydrophobicContact CZ-CD2 4.38Å; F187-L191 HydrophobicContact CZ-CG 4.18Å; F187-L191 WeakPolarHBondContact O-CG 3.4Å; F187-L191 PolarHBondContact O-N 2.73Å; F187-F207 HydrophobicContact CD2-CD1 4.2Å; F187-F207 HydrophobicContact CE2-CB 3.99Å; F187-F207 AromaticContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CD1 3.47Å; F187-F207 VanDerWaalsContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CE1 4.13Å; F187-F207 AromaticContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CZ-CB 4.29Å; F187-F207 HydrophobicContact CZ-CD1 4.32Å; F187-F207 HydrophobicContact CZ-CG 4.38Å; F187-V214 HydrophobicContact CB-CG1 4.45Å; F187-V214 HydrophobicContact CD1-CG1 4.46Å; F187-V214 HydrophobicContact CD2-CB 4.48Å; F187-V214 HydrophobicContact CD2-CG1 3.21Å; F187-V214 HydrophobicContact CE2-CG1 3.31Å; F187-V214 HydrophobicContact CG-CG1 3.81Å; F187-V214 HydrophobicContact CZ-CG1 4.03Å |
| 188 | C | 79.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 174.6 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | Q184 H185 L191 N192 | Q184-C188 WeakPolarHBondContact O-CB 3.16Å; Q184-C188 PolarHBondContact O-N 3.4Å; Q184-C188 PolarHBondContact O-SG 3.07Å; Q184-C188 VanDerWaalsContact O-SG 3.37Å; H185-C188 PolarHBondContact O-N 3.37Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 2.98Å; C188-N192 PolarHBondContact O-N 3.36Å |
| 189 | A | 84.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | H185 S186 F187 L191 N192 F285 G286 S288 | H185-A189 WeakPolarHBondContact O-CB 3.3Å; H185-A189 PolarHBondContact O-N 2.86Å; S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 2.9Å; F187-A189 PolarHBondContact O-N 3.47Å; A189-L191 PolarHBondContact O-N 3.18Å; A189-N192 VanDerWaalsContact O-CB 3.22Å; A189-N192 WeakPolarHBondContact O-CB 3.46Å; A189-N192 PolarHBondContact O-N 3.09Å; A189-N192 PolarHBondContact O-ND2 3.29Å; A189-F285 CarbonylContact C-O 3.59Å; A189-F285 VanDerWaalsContact C-O 3.22Å; A189-F285 WeakPolarHBondContact CB-O 3.49Å; A189-G286 WeakPolarHBondContact CB-O 3.42Å; A189-S288 VanDerWaalsContact CB-O 3.31Å; A189-S288 WeakPolarHBondContact CB-O 3.49Å; A189-S288 PolarHBondContact O-OG 2.76Å |
| 190 | E | 85.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -35.4 | 176.3 | -66.5 | -77.1 | -165.3 | 0 | 0 | 112.2 | K172 S186 F187 N192 A193 I204 F207 V216 F285 G286 | K172-E190 IonicContact NZ-OE1 2.81Å; K172-E190 PolarHBondContact NZ-OE1 3.23Å; S186-E190 WeakPolarHBondContact O-CG 3.46Å; S186-E190 PolarHBondContact O-N 3.36Å; F187-E190 PolarHBondContact O-N 3.08Å; E190-N192 PolarHBondContact O-N 3.42Å; E190-A193 PolarHBondContact O-N 3.44Å; E190-A193 VanDerWaalsContact O-N 3.11Å; E190-I204 VanDerWaalsContact O-CD1 3.25Å; E190-I204 WeakPolarHBondContact O-CD1 3.38Å; E190-F207 HydrophobicContact CB-CE1 4.14Å; E190-V216 HydrophobicContact CB-CG2 4.18Å; E190-V216 HydrophobicContact CG-CG2 4.12Å; E190-F285 PolarHBondContact N-O 2.98Å; E190-F285 WeakPolarHBondContact OE2-CB 3.43Å; E190-F285 PolarHBondContact OE2-N 3.3Å; E190-F285 VanDerWaalsContact OE2-N 3.17Å; E190-G286 PolarHBondContact OE1-N 3.45Å |
| 191 | L | 86.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -21.2 | 174.5 | -76.4 | 169.8 | 0 | 0 | 0 | 113.7 | F187 C188 A189 A193 F194 F207 | F187-L191 HydrophobicContact CD1-CD1 3.95Å; F187-L191 HydrophobicContact CE1-CD1 3.53Å; F187-L191 HydrophobicContact CE1-CG 4.29Å; F187-L191 HydrophobicContact CE2-CD1 4.49Å; F187-L191 HydrophobicContact CE2-CG 4.41Å; F187-L191 HydrophobicContact CZ-CD1 3.86Å; F187-L191 HydrophobicContact CZ-CD2 4.38Å; F187-L191 HydrophobicContact CZ-CG 4.18Å; F187-L191 WeakPolarHBondContact O-CG 3.4Å; F187-L191 PolarHBondContact O-N 2.73Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 2.98Å; A189-L191 PolarHBondContact O-N 3.18Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.11Å; L191-F194 WeakPolarHBondContact O-CB 3.47Å; L191-F194 PolarHBondContact O-N 2.51Å; L191-F207 HydrophobicContact CD2-CD1 4.45Å; L191-F207 HydrophobicContact CD2-CD2 3.71Å; L191-F207 HydrophobicContact CD2-CE1 4.11Å; L191-F207 HydrophobicContact CD2-CE2 3.32Å; L191-F207 HydrophobicContact CD2-CG 4.25Å; L191-F207 HydrophobicContact CD2-CZ 3.52Å; L191-F207 HydrophobicContact CG-CE1 4.36Å; L191-F207 HydrophobicContact CG-CE2 4.34Å; L191-F207 HydrophobicContact CG-CZ 4.07Å |
| 192 | N | 88.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 174.9 | -67 | -39.5 | 0 | 0 | 0 | 111.7 | C188 A189 E190 F194 I261 S288 K290 | C188-N192 PolarHBondContact O-N 3.36Å; A189-N192 VanDerWaalsContact O-CB 3.22Å; A189-N192 WeakPolarHBondContact O-CB 3.46Å; A189-N192 PolarHBondContact O-N 3.09Å; A189-N192 PolarHBondContact O-ND2 3.29Å; E190-N192 PolarHBondContact O-N 3.42Å; N192-F194 VanDerWaalsContact C-N 3.29Å; N192-I261 WeakPolarHBondContact O-CD1 3.13Å; N192-S288 PolarHBondContact ND2-O 3.29Å; N192-S288 VanDerWaalsContact ND2-O 3.12Å; N192-K290 HydrophobicContact CB-CG 4.19Å; N192-K290 WeakPolarHBondContact OD1-CD 3.44Å; N192-K290 WeakPolarHBondContact OD1-CG 3.42Å |
| 193 | A | 87.5 | Confident | 86 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80.9 | -9.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E190 L191 G195 L196 I204 F285 | E190-A193 PolarHBondContact O-N 3.44Å; E190-A193 VanDerWaalsContact O-N 3.11Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.11Å; A193-G195 PolarHBondContact O-N 2.87Å; A193-G195 VanDerWaalsContact O-N 3.16Å; A193-L196 HydrophobicContact CB-CD1 4Å; A193-L196 WeakPolarHBondContact O-CB 3.44Å; A193-L196 PolarHBondContact O-N 3.09Å; A193-I204 HydrophobicContact CB-CD1 3.83Å; A193-F285 HydrophobicContact CB-CB 3.66Å; A193-F285 HydrophobicContact CB-CD1 3.61Å; A193-F285 HydrophobicContact CB-CD2 3.58Å; A193-F285 HydrophobicContact CB-CE1 4.06Å; A193-F285 HydrophobicContact CB-CE2 4.06Å; A193-F285 HydrophobicContact CB-CG 3.34Å; A193-F285 HydrophobicContact CB-CZ 4.27Å |
| 194 | F | 88.5 | Confident | 87.2 | Confident | 111 Ų | 111 | 39.2 Ų | 39.2 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 119.3 | 175.5 | -170.7 | -112.5 | 0 | 0 | 0 | 110.7 | L191 N192 I204 F207 | L191-F194 WeakPolarHBondContact O-CB 3.47Å; L191-F194 PolarHBondContact O-N 2.51Å; N192-F194 VanDerWaalsContact C-N 3.29Å; F194-I204 HydrophobicContact CD2-CB 4.26Å; F194-I204 HydrophobicContact CD2-CG2 3.91Å; F194-F207 HydrophobicContact CB-CE2 3.72Å; F194-F207 HydrophobicContact CB-CZ 3.98Å; F194-F207 HydrophobicContact CD1-CE2 4.42Å; F194-F207 HydrophobicContact CD2-CD2 4.17Å; F194-F207 AromaticContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CZ 4.13Å; F194-F207 HydrophobicContact CE2-CD2 4.4Å; F194-F207 AromaticContact CE2-CE2 3.99Å; F194-F207 HydrophobicContact CE2-CE2 3.99Å; F194-F207 AromaticContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CZ 4.31Å |
| 195 | G | 87.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 38.7 Ų | 38.7 | 67% | 0.67 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -7.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A193 N197 | A193-G195 PolarHBondContact O-N 2.87Å; A193-G195 VanDerWaalsContact O-N 3.16Å; G195-N197 PolarHBondContact O-N 3.27Å |
| 196 | L | 92.9 | Very high | 89.1 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | trans | -64.9 | 129.2 | 168.2 | -66.1 | -178.5 | 0 | 0 | 0 | 109.8 | A193 I201 Y255 N259 I261 F285 | A193-L196 HydrophobicContact CB-CD1 4Å; A193-L196 WeakPolarHBondContact O-CB 3.44Å; A193-L196 PolarHBondContact O-N 3.09Å; L196-I201 HydrophobicContact CB-CD1 4.49Å; L196-I201 HydrophobicContact CB-CG2 4.48Å; L196-I201 HydrophobicContact CD1-CD1 4.24Å; L196-Y255 HydrophobicContact CB-CE1 4.18Å; L196-Y255 HydrophobicContact CD2-CD1 4.18Å; L196-Y255 HydrophobicContact CD2-CE1 3.64Å; L196-Y255 HydrophobicContact CG-CE1 4.48Å; L196-N259 HydrophobicContact CD2-CB 4.05Å; L196-I261 HydrophobicContact CD1-CD1 4.05Å; L196-I261 HydrophobicContact CD2-CD1 3.83Å; L196-I261 HydrophobicContact CG-CD1 4.14Å; L196-F285 HydrophobicContact CD1-CE1 4.04Å; L196-F285 HydrophobicContact CD1-CZ 4.18Å | ||
| 197 | N | 94.4 | Very high | 89.7 | Confident | 110 Ų | 110 | 38.3 Ų | 38.3 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | trans | -133.5 | 89.4 | -179.2 | -172 | 58.7 | 0 | 0 | 0 | 109.9 | G195 | G195-N197 PolarHBondContact O-N 3.27Š| ||
| 198 | H | 96.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 39 Ų | 39 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | trans | -137.4 | 141 | -179.3 | -174 | -93.8 | 0 | 0 | 0 | 109.6 | N200 I201 Y255 | H198-N200 PolarHBondContact CE1-OD1 3.02Å; H198-N200 PolarHBondContact ND1-N 2.96Å; H198-N200 PolarHBondContact O-N 3.37Å; H198-N200 VanDerWaalsContact O-N 3.15Å; H198-I201 HydrophobicContact CB-CB 4.14Å; H198-I201 HydrophobicContact CB-CD1 3.79Å; H198-I201 HydrophobicContact CB-CG1 3.91Å; H198-I201 PolarHBondContact O-N 3.14Å; H198-I201 VanDerWaalsContact O-N 3.09Å; H198-Y255 HydrophobicContact CB-CD1 3.77Å; H198-Y255 HydrophobicContact CB-CE1 4.01Å; H198-Y255 HydrophobicContact CB-CG 4.15Å; H198-Y255 AromaticContact CD2-CG 3.91Å | ||
| 199 | P | 95.4 | Very high | 89.3 | Confident | 81 Ų | 81 | 39 Ų | 39 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.3 | -178.5 | 21.7 | -34.7 | 0 | 0 | 0 | 113.4 | K281 | P199-K281 WeakPolarHBondContact O-CE 3.24Å; P199-K281 VanDerWaalsContact O-CG 3.31Å; P199-K281 WeakPolarHBondContact O-CG 3.3Å; P199-K281 PolarHBondContact O-NZ 3.01Å |
| 200 | N | 96.9 | Very high | 88.4 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 20.4 | -179.6 | -51.8 | 113.4 | 0 | 0 | 0 | 114.1 | H198 Q248 A252 C280 K281 L282 | H198-N200 PolarHBondContact CE1-OD1 3.02Å; H198-N200 PolarHBondContact ND1-N 2.96Å; H198-N200 PolarHBondContact O-N 3.37Å; H198-N200 VanDerWaalsContact O-N 3.15Å; N200-Q248 HydrophobicContact CB-CB 4.32Å; N200-Q248 WeakPolarHBondContact CB-O 3.32Å; N200-Q248 WeakPolarHBondContact ND2-CB 3.18Å; N200-Q248 PolarHBondContact ND2-OE1 3.15Å; N200-A252 HydrophobicContact CB-CB 3.97Å; N200-A252 VanDerWaalsContact O-CB 3.3Å; N200-A252 WeakPolarHBondContact O-CB 3.48Å; N200-C280 WeakPolarHBondContact CA-O 3.49Å; N200-C280 WeakPolarHBondContact CB-O 3.49Å; N200-C280 PolarHBondContact ND2-O 3.23Å; N200-K281 CarbonylContact O-C 3.53Å; N200-K281 WeakPolarHBondContact O-CA 3.4Å; N200-L282 PolarHBondContact O-N 3.01Å |
| 201 | I | 97.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | 139.9 | 170 | -64.1 | 176.7 | 0 | 0 | 0 | 108.2 | L196 H198 K203 A252 Y255 C256 K281 L282 F285 | L196-I201 HydrophobicContact CB-CD1 4.49Å; L196-I201 HydrophobicContact CB-CG2 4.48Å; L196-I201 HydrophobicContact CD1-CD1 4.24Å; H198-I201 HydrophobicContact CB-CB 4.14Å; H198-I201 HydrophobicContact CB-CD1 3.79Å; H198-I201 HydrophobicContact CB-CG1 3.91Å; H198-I201 PolarHBondContact O-N 3.14Å; H198-I201 VanDerWaalsContact O-N 3.09Å; I201-K203 PolarHBondContact O-N 3.34Å; I201-A252 HydrophobicContact CD1-CB 4.42Å; I201-A252 HydrophobicContact CG1-CB 3.78Å; I201-Y255 HydrophobicContact CD1-CD1 3.72Å; I201-Y255 HydrophobicContact CD1-CE1 4.41Å; I201-C256 VanDerWaalsContact CD1-SG 3.56Å; I201-K281 PolarHBondContact O-NZ 3.17Å; I201-L282 CarbonylContact C-O 3.58Å; I201-L282 WeakPolarHBondContact CA-O 3.41Å; I201-F285 HydrophobicContact CG2-CE2 3.8Å; I201-F285 HydrophobicContact CG2-CZ 3.8Å |
| 202 | V | 95.3 | Very high | 86.6 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 118.5 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I204 C218 E219 A221 L272 K281 L282 | V202-I204 PolarHBondContact O-N 3.45Å; V202-C218 HydrophobicContact CG1-CB 3.85Å; V202-E219 HydrophobicContact CG1-CG 4.1Å; V202-A221 HydrophobicContact CG2-CB 4.31Å; V202-L272 HydrophobicContact CG2-CD1 3.79Å; V202-L272 HydrophobicContact CG2-CG 4.31Å; V202-K281 HydrophobicContact CG2-CB 3.75Å; V202-L282 PolarHBondContact N-O 3.22Å |
| 203 | K | 93.8 | Very high | 85.8 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 121.3 | -179.7 | -171.6 | 169.6 | -174.7 | 162.5 | 0 | 111.2 | I201 L205 C218 E219 | I201-K203 PolarHBondContact O-N 3.34Å; K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.25Å; K203-L205 PolarHBondContact O-N 3.03Å; K203-C218 CarbonylContact O-C 3.55Å; K203-C218 WeakPolarHBondContact O-CA 3.48Å; K203-E219 HydrophobicContact CB-CB 4.41Å; K203-E219 HydrophobicContact CB-CG 4.05Å; K203-E219 WeakPolarHBondContact CB-OE1 3.33Å; K203-E219 PolarHBondContact N-OE1 3.5Å; K203-E219 PolarHBondContact O-N 3.35Å |
| 204 | I | 91.5 | Very high | 85.4 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123 | 164.4 | -57.2 | 179.2 | 0 | 0 | 0 | 108.2 | E190 A193 F194 V202 F207 V216 | E190-I204 VanDerWaalsContact O-CD1 3.25Å; E190-I204 WeakPolarHBondContact O-CD1 3.38Å; A193-I204 HydrophobicContact CB-CD1 3.83Å; F194-I204 HydrophobicContact CD2-CB 4.26Å; F194-I204 HydrophobicContact CD2-CG2 3.91Å; V202-I204 PolarHBondContact O-N 3.45Å; I204-F207 HydrophobicContact CD1-CE1 4.46Å; I204-F207 HydrophobicContact CD1-CZ 4.04Å; I204-F207 HydrophobicContact CG2-CE1 4.04Å; I204-F207 HydrophobicContact CG2-CE2 3.85Å; I204-F207 HydrophobicContact CG2-CZ 3.6Å; I204-V216 HydrophobicContact CD1-CG1 4.34Å; I204-V216 HydrophobicContact CG1-CG1 4.4Å; I204-V216 HydrophobicContact CG2-CG1 3.93Å |
| 205 | L | 91.2 | Very high | 85.3 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -46.8 | -178.3 | -57.2 | 177.4 | 0 | 0 | 0 | 111.1 | F164 A169 K203 V217 | F164-L205 HydrophobicContact CB-CD1 4.37Å; F164-L205 HydrophobicContact CD1-CB 4.13Å; F164-L205 HydrophobicContact CD1-CD1 3.8Å; F164-L205 HydrophobicContact CE1-CB 4.06Å; F164-L205 HydrophobicContact CG-CD1 4.35Å; A169-L205 HydrophobicContact CB-CD1 4.36Å; K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.25Å; K203-L205 PolarHBondContact O-N 3.03Å; L205-V217 WeakPolarHBondContact CA-O 3.36Å; L205-V217 HydrophobicContact CB-CG1 4.44Å; L205-V217 WeakPolarHBondContact CB-O 3.43Å; L205-V217 HydrophobicContact CD1-CG1 4.4Å; L205-V217 PolarHBondContact N-O 3.08Å |
| 206 | T | 89.1 | Confident | 85.3 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 174.3 | 178.9 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | F164 V217 | F164-T206 HydrophobicContact CD2-CG2 4.21Å; F164-T206 HydrophobicContact CE2-CG2 3.57Å; F164-T206 HydrophobicContact CZ-CG2 3.89Å; T206-V217 HydrophobicContact CG2-CB 3.68Å; T206-V217 HydrophobicContact CG2-CG1 4.3Å; T206-V217 HydrophobicContact CG2-CG2 3.77Å; T206-V217 PolarHBondContact N-O 3.49Å; T206-V217 PolarHBondContact O-N 3.39Å |
| 207 | F | 85.3 | Confident | 85.2 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.4 | 170.3 | -57.5 | -87.6 | 0 | 0 | 0 | 109.9 | F187 E190 L191 F194 I204 E215 V216 | F187-F207 HydrophobicContact CD2-CD1 4.2Å; F187-F207 HydrophobicContact CE2-CB 3.99Å; F187-F207 AromaticContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CD1 3.47Å; F187-F207 VanDerWaalsContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CE1 4.13Å; F187-F207 AromaticContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CZ-CB 4.29Å; F187-F207 HydrophobicContact CZ-CD1 4.32Å; F187-F207 HydrophobicContact CZ-CG 4.38Å; E190-F207 HydrophobicContact CB-CE1 4.14Å; L191-F207 HydrophobicContact CD2-CD1 4.45Å; L191-F207 HydrophobicContact CD2-CD2 3.71Å; L191-F207 HydrophobicContact CD2-CE1 4.11Å; L191-F207 HydrophobicContact CD2-CE2 3.32Å; L191-F207 HydrophobicContact CD2-CG 4.25Å; L191-F207 HydrophobicContact CD2-CZ 3.52Å; L191-F207 HydrophobicContact CG-CE1 4.36Å; L191-F207 HydrophobicContact CG-CE2 4.34Å; L191-F207 HydrophobicContact CG-CZ 4.07Å; F194-F207 HydrophobicContact CB-CE2 3.72Å; F194-F207 HydrophobicContact CB-CZ 3.98Å; F194-F207 HydrophobicContact CD1-CE2 4.42Å; F194-F207 HydrophobicContact CD2-CD2 4.17Å; F194-F207 AromaticContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CZ 4.13Å; F194-F207 HydrophobicContact CE2-CD2 4.4Å; F194-F207 AromaticContact CE2-CE2 3.99Å; F194-F207 HydrophobicContact CE2-CE2 3.99Å; F194-F207 AromaticContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CZ 4.31Å; I204-F207 HydrophobicContact CD1-CE1 4.46Å; I204-F207 HydrophobicContact CD1-CZ 4.04Å; I204-F207 HydrophobicContact CG2-CE1 4.04Å; I204-F207 HydrophobicContact CG2-CE2 3.85Å; I204-F207 HydrophobicContact CG2-CZ 3.6Å; F207-E215 CarbonylContact C-O 3.48Å; F207-E215 WeakPolarHBondContact CA-O 3.32Å; F207-V216 HydrophobicContact CD1-CB 4.16Å; F207-V216 HydrophobicContact CD1-CG1 3.89Å; F207-V216 HydrophobicContact CD1-CG2 3.86Å; F207-V216 HydrophobicContact CE1-CB 4.24Å; F207-V216 HydrophobicContact CE1-CG1 3.59Å; F207-V216 HydrophobicContact CE1-CG2 3.9Å; F207-V216 HydrophobicContact CZ-CG1 4.48Å |
| 208 | C | 77.6 | Confident | 85 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.9 | -177.3 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | W142 E215 | W142-C208 HydrophobicContact CH2-CB 3.95Å; W142-C208 WeakPolarHBondContact CH2-SG 3.41Å; W142-C208 HydrophobicContact CZ2-CB 3.48Å; W142-C208 VanDerWaalsContact CZ2-CB 3.48Å; W142-C208 WeakPolarHBondContact CZ2-SG 3.39Å; C208-E215 HydrophobicContact CB-CB 4.42Å; C208-E215 PolarHBondContact N-O 3.49Å; C208-E215 PolarHBondContact O-N 3.16Å |
| 209 | C | 71.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 38.8 Ų | 38.8 | 35% | 0.345 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.1 | 168.8 | -61.9 | 0 | 0 | 0 | 0 | 106.9 | F73 S213 | F73-C209 HydrophobicContact CD1-CB 3.51Å; F73-C209 WeakPolarHBondContact CD1-SG 3.42Å; F73-C209 HydrophobicContact CE1-CB 3.68Å; F73-C209 VanDerWaalsContact CE1-SG 3.51Å; F73-C209 HydrophobicContact CG-CB 4.16Å; F73-C209 VanDerWaalsContact CG-SG 3.55Å; F73-C209 HydrophobicContact CZ-CB 4.41Å; C209-S213 CarbonylContact C-O 3.57Å; C209-S213 WeakPolarHBondContact CA-O 3.43Å |
| 210 | F | 65.1 | Low | 84.6 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.8 | -178.7 | 175.1 | -100.5 | 0 | 0 | 0 | 109.8 | Y138 E212 S213 | Y138-F210 WeakPolarHBondContact O-CE2 3.46Å; F210-E212 PolarHBondContact O-N 3.26Å; F210-E212 VanDerWaalsContact O-N 3.15Å; F210-S213 PolarHBondContact N-O 3.24Å; F210-S213 WeakPolarHBondContact O-CA 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.43Å; F210-S213 PolarHBondContact O-N 3.18Å; F210-S213 PolarHBondContact O-OG 3.01Å |
| 211 | N | 63.9 | Low | 84.4 | Confident | 108 Ų | 108 | 37.9 Ų | 37.9 | 58% | 0.578 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 49.9 | -176.8 | -69.9 | -1.5 | 0 | 0 | 0 | 112.2 | S213 | N211-S213 PolarHBondContact O-N 3.12Š|
| 212 | E | 68.8 | Low | 83.9 | Confident | 152 Ų | 152 | 38.3 Ų | 38.3 | 71% | 0.71 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 4.6 | 179.9 | -44.3 | 173.6 | 139.4 | 0 | 0 | 115.2 | K176 F210 | K176-E212 WeakPolarHBondContact CE-O 3.38Å; K176-E212 VanDerWaalsContact NZ-CD 3.3Å; K176-E212 IonicContact NZ-OE2 2.53Å; K176-E212 PolarHBondContact NZ-OE2 3.38Å; F210-E212 PolarHBondContact O-N 3.26Å; F210-E212 VanDerWaalsContact O-N 3.15Å |
| 213 | S | 72 | Confident | 83.4 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.6 | 170 | 72.7 | 0 | 0 | 0 | 0 | 110.2 | C209 F210 N211 | C209-S213 CarbonylContact C-O 3.57Å; C209-S213 WeakPolarHBondContact CA-O 3.43Å; F210-S213 PolarHBondContact N-O 3.24Å; F210-S213 WeakPolarHBondContact O-CA 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.43Å; F210-S213 PolarHBondContact O-N 3.18Å; F210-S213 PolarHBondContact O-OG 3.01Å; N211-S213 PolarHBondContact O-N 3.12Å |
| 214 | V | 78.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 40 Ų | 40 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L174 F187 | L174-V214 HydrophobicContact CD1-CB 4.31Å; L174-V214 HydrophobicContact CD1-CG1 4.24Å; L174-V214 PolarHBondContact N-O 2.67Å; F187-V214 HydrophobicContact CB-CG1 4.45Å; F187-V214 HydrophobicContact CD1-CG1 4.46Å; F187-V214 HydrophobicContact CD2-CB 4.48Å; F187-V214 HydrophobicContact CD2-CG1 3.21Å; F187-V214 HydrophobicContact CE2-CG1 3.31Å; F187-V214 HydrophobicContact CG-CG1 3.81Å; F187-V214 HydrophobicContact CZ-CG1 4.03Å |
| 215 | E | 86 | Confident | 83.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.8 | -179.7 | -62.8 | -175.2 | 158.3 | 0 | 0 | 110.2 | W142 I171 K172 R173 F207 C208 | W142-E215 PolarHBondContact NE1-OE2 3.28Å; I171-E215 HydrophobicContact CG2-CB 4.14Å; I171-E215 HydrophobicContact CG2-CG 4.29Å; K172-E215 CarbonylContact O-C 3.29Å; K172-E215 WeakPolarHBondContact O-CA 3.23Å; R173-E215 HydrophobicContact CB-CG 4.21Å; R173-E215 HydrophobicContact CG-CG 4.16Å; R173-E215 IonicContact CZ-OE1 3.15Å; R173-E215 IonicContact NE-OE1 2.78Å; R173-E215 PolarHBondContact NE-OE1 3.25Å; R173-E215 IonicContact NH2-OE1 2.68Å; R173-E215 PolarHBondContact NH2-OE1 3.07Å; F207-E215 CarbonylContact C-O 3.48Å; F207-E215 WeakPolarHBondContact CA-O 3.32Å; C208-E215 HydrophobicContact CB-CB 4.42Å; C208-E215 PolarHBondContact N-O 3.49Å; C208-E215 PolarHBondContact O-N 3.16Å |
| 216 | V | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.5 | 168.9 | -171.6 | 0 | 0 | 0 | 0 | 107.3 | K172 L174 E190 I204 F207 | K172-V216 HydrophobicContact CB-CB 4.34Å; K172-V216 PolarHBondContact N-O 3.12Å; K172-V216 PolarHBondContact O-N 3.43Å; L174-V216 HydrophobicContact CD1-CG2 4.46Å; E190-V216 HydrophobicContact CB-CG2 4.18Å; E190-V216 HydrophobicContact CG-CG2 4.12Å; I204-V216 HydrophobicContact CD1-CG1 4.34Å; I204-V216 HydrophobicContact CG1-CG1 4.4Å; I204-V216 HydrophobicContact CG2-CG1 3.93Å; F207-V216 HydrophobicContact CD1-CB 4.16Å; F207-V216 HydrophobicContact CD1-CG1 3.89Å; F207-V216 HydrophobicContact CD1-CG2 3.86Å; F207-V216 HydrophobicContact CE1-CB 4.24Å; F207-V216 HydrophobicContact CE1-CG1 3.59Å; F207-V216 HydrophobicContact CE1-CG2 3.9Å; F207-V216 HydrophobicContact CZ-CG1 4.48Å |
| 217 | V | 90.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.2 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | W142 F164 A169 I171 L205 T206 | W142-V217 HydrophobicContact CZ2-CG2 4.47Å; F164-V217 HydrophobicContact CB-CG1 4.09Å; F164-V217 HydrophobicContact CD2-CG1 4.23Å; F164-V217 HydrophobicContact CG-CG1 4.17Å; A169-V217 HydrophobicContact CB-CG1 4.02Å; I171-V217 HydrophobicContact CG1-CG1 4.41Å; I171-V217 HydrophobicContact CG1-CG2 4.48Å; L205-V217 WeakPolarHBondContact CA-O 3.36Å; L205-V217 HydrophobicContact CB-CG1 4.44Å; L205-V217 WeakPolarHBondContact CB-O 3.43Å; L205-V217 HydrophobicContact CD1-CG1 4.4Å; L205-V217 PolarHBondContact N-O 3.08Å; T206-V217 HydrophobicContact CG2-CB 3.68Å; T206-V217 HydrophobicContact CG2-CG1 4.3Å; T206-V217 HydrophobicContact CG2-CG2 3.77Å; T206-V217 PolarHBondContact N-O 3.49Å; T206-V217 PolarHBondContact O-N 3.39Å |
| 218 | C | 92 | Very high | 84.1 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 161 | -177.9 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | A169 A170 V202 K203 | A169-C218 CarbonylContact C-O 3.6Å; A169-C218 WeakPolarHBondContact CA-O 3.44Å; A169-C218 WeakPolarHBondContact CB-O 3.48Å; A170-C218 HydrophobicContact CB-CB 4.44Å; A170-C218 PolarHBondContact N-O 3.38Å; A170-C218 PolarHBondContact O-N 3.22Å; V202-C218 HydrophobicContact CG1-CB 3.85Å; K203-C218 CarbonylContact O-C 3.55Å; K203-C218 WeakPolarHBondContact O-CA 3.48Å |
| 219 | E | 92.1 | Very high | 84.8 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 23% | 0.229 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 144.2 | 164.5 | 73.2 | 179.9 | 145.5 | 0 | 0 | 110.3 | V202 K203 A221 K281 | V202-E219 HydrophobicContact CG1-CG 4.1Å; K203-E219 HydrophobicContact CB-CB 4.41Å; K203-E219 HydrophobicContact CB-CG 4.05Å; K203-E219 WeakPolarHBondContact CB-OE1 3.33Å; K203-E219 PolarHBondContact N-OE1 3.5Å; K203-E219 PolarHBondContact O-N 3.35Å; E219-A221 PolarHBondContact O-N 3.19Å; E219-K281 IonicContact OE1-NZ 3.48Å; E219-K281 PolarHBondContact OE1-NZ 3.25Å; E219-K281 IonicContact OE2-NZ 3.53Å |
| 220 | Y | 91.6 | Very high | 85.8 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | trans | -82.5 | 108.2 | 171.3 | -178.4 | -108 | 0 | 0 | 0 | 109.9 | L150 I161 P168 G222 P223 | L150-Y220 HydrophobicContact CD1-CE2 4.1Å; L150-Y220 HydrophobicContact CD2-CE2 4.37Å; I161-Y220 HydrophobicContact CD1-CE2 3.87Å; I161-Y220 HydrophobicContact CG1-CE2 4.07Å; P168-Y220 HydrophobicContact CB-CD1 4.26Å; P168-Y220 HydrophobicContact CB-CG 4.39Å; Y220-G222 WeakPolarHBondContact CE2-O 3.48Å; Y220-P223 VanDerWaalsContact OH-CA 3.23Å; Y220-P223 WeakPolarHBondContact OH-CA 3.04Å | ||
| 221 | A | 91 | Very high | 87.1 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | trans | -92 | -2.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | V202 E219 L272 C274 K281 | V202-A221 HydrophobicContact CG2-CB 4.31Å; E219-A221 PolarHBondContact O-N 3.19Å; A221-L272 HydrophobicContact CB-CB 3.78Å; A221-L272 HydrophobicContact CB-CD1 3.74Å; A221-L272 HydrophobicContact CB-CG 4.41Å; A221-C274 WeakPolarHBondContact O-CB 3.28Å; A221-K281 HydrophobicContact CB-CB 4.45Å; A221-K281 HydrophobicContact CB-CD 3.84Å | ||
| 222 | G | 87 | Confident | 88.4 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | trans | 139.3 | 167 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y220 | Y220-G222 WeakPolarHBondContact CE2-O 3.48Š| ||
| 223 | P | 85.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -78.9 | -18.7 | -175.8 | 31.4 | -35 | 0 | 0 | 0 | 113.9 | Y220 | Y220-P223 VanDerWaalsContact OH-CA 3.23Å; Y220-P223 WeakPolarHBondContact OH-CA 3.04Å |
| 224 | H | 89.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141 | -170.9 | -58.1 | -45.3 | 0 | 0 | 0 | 111.6 | L229 V273 E275 | H224-L229 HydrophobicContact CB-CD2 3.96Å; H224-L229 HydrophobicContact CB-CG 4.07Å; H224-V273 PolarHBondContact O-N 3.3Å; H224-E275 IonicContact CD2-OE1 3.53Å; H224-E275 PolarHBondContact CD2-OE1 3.43Å |
| 225 | N | 93.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 43 Ų | 43 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 164.1 | 161.8 | 66.9 | 51.7 | 0 | 0 | 0 | 110.8 | Q227 Q228 L229 S269 V271 L272 | N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 3.31Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.5Å; N225-Q227 VanDerWaalsContact OD1-CB 3.3Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.42Å; N225-Q227 PolarHBondContact OD1-N 3.23Å; N225-Q227 VanDerWaalsContact OD1-N 3.14Å; N225-Q228 PolarHBondContact ND2-OE1 3Å; N225-Q228 PolarHBondContact O-N 2.99Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.5Å; N225-Q228 PolarHBondContact OD1-N 3.46Å; N225-L229 PolarHBondContact O-N 3.26Å; N225-S269 WeakPolarHBondContact CB-O 3.17Å; N225-V271 CarbonylContact C-O 3.54Å; N225-V271 WeakPolarHBondContact CA-O 3.35Å; N225-V271 WeakPolarHBondContact CB-O 3.37Å; N225-L272 HydrophobicContact CB-CD2 4.07Å |
| 226 | L | 94.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -33.9 | -176.9 | -178.8 | 57.6 | 0 | 0 | 0 | 111.5 | L229 L230 L237 F245 I249 T268 V271 V273 | L226-L229 PolarHBondContact O-N 3.02Å; L226-L230 HydrophobicContact CD1-CD1 4.26Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.91Å; L226-L230 HydrophobicContact CG-CG 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.49Å; L226-L230 PolarHBondContact O-N 3.41Å; L226-L237 HydrophobicContact CD1-CD1 4.02Å; L226-F245 HydrophobicContact CD1-CD2 3.83Å; L226-F245 HydrophobicContact CD1-CE2 4.21Å; L226-I249 HydrophobicContact CD2-CD1 4.2Å; L226-T268 WeakPolarHBondContact CB-O 3.45Å; L226-T268 HydrophobicContact CD2-CG2 4.22Å; L226-T268 HydrophobicContact CG-CG2 4.31Å; L226-T268 PolarHBondContact N-O 3.32Å; L226-V271 HydrophobicContact CB-CB 3.96Å; L226-V271 HydrophobicContact CB-CG1 4.05Å; L226-V271 HydrophobicContact CD2-CB 4.37Å; L226-V271 HydrophobicContact CD2-CG1 4.14Å; L226-V271 PolarHBondContact N-O 3.02Å; L226-V273 HydrophobicContact CB-CG2 4.01Å; L226-V273 HydrophobicContact CD1-CG2 4.26Å |
| 227 | Q | 94.6 | Very high | 90.4 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 175.4 | -168.6 | 175.2 | 67.6 | 0 | 0 | 111.2 | N225 L229 L230 R231 T268 E339 | N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 3.31Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.5Å; N225-Q227 VanDerWaalsContact OD1-CB 3.3Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.42Å; N225-Q227 PolarHBondContact OD1-N 3.23Å; N225-Q227 VanDerWaalsContact OD1-N 3.14Å; Q227-L229 VanDerWaalsContact C-N 3.26Å; Q227-L229 PolarHBondContact O-N 2.86Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q227-L230 VanDerWaalsContact O-N 3.16Å; Q227-R231 HydrophobicContact CG-CG 4.19Å; Q227-R231 WeakPolarHBondContact O-CB 3.37Å; Q227-R231 WeakPolarHBondContact O-CG 3.39Å; Q227-R231 PolarHBondContact O-N 3.1Å; Q227-T268 WeakPolarHBondContact CB-OG1 3.48Å; Q227-T268 PolarHBondContact N-O 3.46Å; Q227-E339 PolarHBondContact NE2-OE1 2.82Å |
| 228 | Q | 93 | Very high | 90.5 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 178 | -71.8 | 168.4 | -40.5 | 0 | 0 | 111.6 | N225 R231 N232 | N225-Q228 PolarHBondContact ND2-OE1 3Å; N225-Q228 PolarHBondContact O-N 2.99Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.5Å; N225-Q228 PolarHBondContact OD1-N 3.46Å; Q228-R231 PolarHBondContact O-N 3.45Å; Q228-N232 WeakPolarHBondContact O-CB 3.34Å; Q228-N232 PolarHBondContact O-N 3.46Å; Q228-N232 VanDerWaalsContact O-N 3.16Å |
| 229 | L | 92.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 176.1 | -66.1 | -176.6 | 0 | 0 | 0 | 112.8 | H224 N225 L226 Q227 R231 N232 V273 E275 | H224-L229 HydrophobicContact CB-CD2 3.96Å; H224-L229 HydrophobicContact CB-CG 4.07Å; N225-L229 PolarHBondContact O-N 3.26Å; L226-L229 PolarHBondContact O-N 3.02Å; Q227-L229 VanDerWaalsContact C-N 3.26Å; Q227-L229 PolarHBondContact O-N 2.86Å; L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 3.3Å; L229-N232 PolarHBondContact O-N 3.16Å; L229-V273 HydrophobicContact CD1-CB 3.66Å; L229-V273 HydrophobicContact CD1-CG1 3.62Å; L229-V273 HydrophobicContact CD1-CG2 3.83Å; L229-E275 WeakPolarHBondContact CD2-OE1 3.39Å |
| 230 | L | 93.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -28.8 | 178.4 | -67.6 | 168.6 | 0 | 0 | 0 | 112.4 | L226 Q227 L237 T268 E339 Q343 | L226-L230 HydrophobicContact CD1-CD1 4.26Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.91Å; L226-L230 HydrophobicContact CG-CG 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.49Å; L226-L230 PolarHBondContact O-N 3.41Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q227-L230 VanDerWaalsContact O-N 3.16Å; L230-L237 HydrophobicContact CD2-CD1 3.83Å; L230-L237 HydrophobicContact CG-CD1 4.5Å; L230-T268 HydrophobicContact CD1-CG2 3.78Å; L230-E339 HydrophobicContact CD1-CG 4.23Å; L230-Q343 HydrophobicContact CB-CG 4.28Å; L230-Q343 HydrophobicContact CD2-CG 3.71Å |
| 231 | R | 91.4 | Very high | 90.5 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -86.9 | -12.8 | 179.6 | -61.2 | -70.1 | 163.4 | -140.9 | -19 | 113.5 | Q227 Q228 L229 P233 E339 Q343 Q344 V345 | Q227-R231 HydrophobicContact CG-CG 4.19Å; Q227-R231 WeakPolarHBondContact O-CB 3.37Å; Q227-R231 WeakPolarHBondContact O-CG 3.39Å; Q227-R231 PolarHBondContact O-N 3.1Å; Q228-R231 PolarHBondContact O-N 3.45Å; L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 3.3Å; R231-P233 VanDerWaalsContact O-CD 3.26Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å; R231-E339 IonicContact CZ-OE1 2.8Å; R231-E339 IonicContact NH2-OE1 2.67Å; R231-E339 PolarHBondContact NH2-OE1 3.42Å; R231-Q343 PolarHBondContact NH1-O 2.89Å; R231-Q344 VanDerWaalsContact CZ-C 3.4Å; R231-Q344 PolarHBondContact NH2-O 3.45Å; R231-V345 VanDerWaalsContact NH1-N 3.18Å |
| 232 | N | 90.8 | Very high | 90.6 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | trans | -82.9 | 112.4 | -175.6 | -173.9 | -17.8 | 0 | 0 | 0 | 110.6 | Q228 L229 S234 V235 | Q228-N232 WeakPolarHBondContact O-CB 3.34Å; Q228-N232 PolarHBondContact O-N 3.46Å; Q228-N232 VanDerWaalsContact O-N 3.16Å; L229-N232 PolarHBondContact O-N 3.16Å; N232-S234 PolarHBondContact O-N 2.97Å; N232-S234 VanDerWaalsContact O-N 3.11Å; N232-S234 VanDerWaalsContact OD1-CB 3.3Å; N232-S234 WeakPolarHBondContact OD1-CB 3.44Å; N232-S234 PolarHBondContact OD1-N 3.01Å; N232-V235 HydrophobicContact CB-CB 4.17Å; N232-V235 HydrophobicContact CB-CG2 4.05Å; N232-V235 PolarHBondContact O-N 3.22Å | ||
| 233 | P | 88.1 | Confident | 90.9 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 87% | 0.87 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.9 | -178.5 | -19.3 | 32.8 | 0 | 0 | 0 | 113.7 | R231 V235 | R231-P233 VanDerWaalsContact O-CD 3.26Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-V235 VanDerWaalsContact C-N 3.31Å |
| 234 | S | 89.2 | Confident | 91.4 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 80% | 0.797 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.1 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | N232 | N232-S234 PolarHBondContact O-N 2.97Å; N232-S234 VanDerWaalsContact O-N 3.11Å; N232-S234 VanDerWaalsContact OD1-CB 3.3Å; N232-S234 WeakPolarHBondContact OD1-CB 3.44Å; N232-S234 PolarHBondContact OD1-N 3.01Å |
| 235 | V | 85.9 | Confident | 91.6 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | trans | -111.9 | 120.2 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | N232 P233 L237 | N232-V235 HydrophobicContact CB-CB 4.17Å; N232-V235 HydrophobicContact CB-CG2 4.05Å; N232-V235 PolarHBondContact O-N 3.22Å; P233-V235 VanDerWaalsContact C-N 3.31Å; V235-L237 HydrophobicContact CG1-CD2 4.32Å; V235-L237 HydrophobicContact CG1-CG 4.45Å | ||
| 236 | S | 84.7 | Confident | 91.8 | Very high | 113 Ų | 113 | 52 Ų | 52 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | trans | -111 | 109.1 | 171.7 | -173.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 237 | L | 88.9 | Confident | 91.9 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | trans | -80.2 | 120 | 172.7 | -65.6 | -180 | 0 | 0 | 0 | 109.6 | L226 L230 V235 K241 K242 F245 | L226-L237 HydrophobicContact CD1-CD1 4.02Å; L230-L237 HydrophobicContact CD2-CD1 3.83Å; L230-L237 HydrophobicContact CG-CD1 4.5Å; V235-L237 HydrophobicContact CG1-CD2 4.32Å; V235-L237 HydrophobicContact CG1-CG 4.45Å; L237-K241 HydrophobicContact CD2-CD 4.41Å; L237-K242 HydrophobicContact CB-CG 4.05Å; L237-K242 WeakPolarHBondContact O-CE 3.37Å; L237-F245 HydrophobicContact CD1-CD2 4.41Å; L237-F245 HydrophobicContact CD1-CE2 4.12Å; L237-F245 HydrophobicContact CD2-CE2 4.12Å | ||
| 238 | S | 91.4 | Very high | 92.1 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | trans | -61 | 152.8 | 174.2 | 72 | 0 | 0 | 0 | 0 | 111 | E240 K241 K242 | S238-E240 PolarHBondContact O-N 3.43Å; S238-E240 VanDerWaalsContact O-N 3.15Å; S238-K241 PolarHBondContact O-N 3.13Å; S238-K241 WeakPolarHBondContact OG-CG 3.49Å; S238-K241 PolarHBondContact OG-N 3.02Å; S238-K242 PolarHBondContact O-N 3.18Å | ||
| 239 | P | 91.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.8 | -35.5 | 175.1 | -29.1 | 35.9 | 0 | 0 | 0 | 113.5 | K242 Q243 T374 R376 E377 | P239-K242 PolarHBondContact O-N 3.5Å; P239-Q243 WeakPolarHBondContact O-CB 3.48Å; P239-Q243 PolarHBondContact O-N 3.48Å; P239-T374 HydrophobicContact CG-CG2 3.86Å; P239-R376 HydrophobicContact CB-CB 4.21Å; P239-E377 HydrophobicContact CB-CG 4.22Å |
| 240 | E | 91.9 | Very high | 92.6 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 175.6 | -176.8 | 176.2 | -166.4 | 0 | 0 | 112.2 | S238 Q243 N244 | S238-E240 PolarHBondContact O-N 3.43Å; S238-E240 VanDerWaalsContact O-N 3.15Å; E240-Q243 PolarHBondContact O-N 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 PolarHBondContact O-N 3.28Å |
| 241 | K | 92.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.1 | -73.9 | -176.6 | -176 | -149.2 | 0 | 111.6 | L237 S238 Q243 N244 F245 E278 | L237-K241 HydrophobicContact CD2-CD 4.41Å; S238-K241 PolarHBondContact O-N 3.13Å; S238-K241 WeakPolarHBondContact OG-CG 3.49Å; S238-K241 PolarHBondContact OG-N 3.02Å; K241-Q243 VanDerWaalsContact C-N 3.34Å; K241-Q243 PolarHBondContact O-N 3.18Å; K241-N244 PolarHBondContact O-N 3.33Å; K241-F245 WeakPolarHBondContact O-CG 3.07Å; K241-F245 PolarHBondContact O-N 3.43Å; K241-E278 WeakPolarHBondContact CE-OE1 3.32Å; K241-E278 IonicContact NZ-OE1 3.59Å; K241-E278 PolarHBondContact NZ-OE1 3.32Å |
| 242 | K | 93.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 175.2 | -65.8 | 175.2 | -179.2 | -177.5 | 0 | 111 | L237 S238 P239 N244 F245 C246 C340 V341 Q343 E377 L380 | L237-K242 HydrophobicContact CB-CG 4.05Å; L237-K242 WeakPolarHBondContact O-CE 3.37Å; S238-K242 PolarHBondContact O-N 3.18Å; P239-K242 PolarHBondContact O-N 3.5Å; K242-N244 PolarHBondContact O-N 2.94Å; K242-F245 PolarHBondContact O-N 2.9Å; K242-C246 PolarHBondContact O-N 3.35Å; K242-C246 PolarHBondContact O-SG 2.92Å; K242-C340 VanDerWaalsContact CD-O 3.26Å; K242-C340 WeakPolarHBondContact CD-O 3.35Å; K242-C340 WeakPolarHBondContact CE-O 3.49Å; K242-C340 PolarHBondContact NZ-O 3.25Å; K242-V341 PolarHBondContact NZ-O 3.33Å; K242-Q343 VanDerWaalsContact CE-NE2 3.29Å; K242-E377 IonicContact NZ-OE1 3.45Å; K242-E377 PolarHBondContact NZ-OE1 3.17Å; K242-L380 HydrophobicContact CB-CD1 4.5Å |
| 243 | Q | 94.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.6 | -174.4 | -179 | 7.6 | 0 | 0 | 111.8 | P239 E240 K241 C246 K247 L380 L405 | P239-Q243 WeakPolarHBondContact O-CB 3.48Å; P239-Q243 PolarHBondContact O-N 3.48Å; E240-Q243 PolarHBondContact O-N 3.29Å; K241-Q243 VanDerWaalsContact C-N 3.34Å; K241-Q243 PolarHBondContact O-N 3.18Å; Q243-C246 PolarHBondContact O-N 2.81Å; Q243-K247 WeakPolarHBondContact O-CB 3.34Å; Q243-K247 PolarHBondContact O-N 3.41Å; Q243-L380 HydrophobicContact CB-CD1 4.12Å; Q243-L380 HydrophobicContact CB-CD2 4.46Å; Q243-L380 HydrophobicContact CG-CD2 4.23Å; Q243-L405 PolarHBondContact NE2-O 2.81Å |
| 244 | N | 94.4 | Very high | 94 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.9 | -171.3 | 39.8 | 0 | 0 | 0 | 111.9 | E240 K241 K242 K247 Q248 | E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 PolarHBondContact O-N 3.28Å; K241-N244 PolarHBondContact O-N 3.33Å; K242-N244 PolarHBondContact O-N 2.94Å; N244-K247 WeakPolarHBondContact O-CB 3.42Å; N244-K247 PolarHBondContact O-N 3.35Å; N244-Q248 PolarHBondContact ND2-NE2 3.41Å; N244-Q248 WeakPolarHBondContact O-CG 3.38Å; N244-Q248 PolarHBondContact O-N 3.31Å |
| 245 | F | 95.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.2 | -67.2 | -25.8 | 0 | 0 | 0 | 112.2 | L226 L237 K241 K242 K247 Q248 I249 V273 C280 | L226-F245 HydrophobicContact CD1-CD2 3.83Å; L226-F245 HydrophobicContact CD1-CE2 4.21Å; L237-F245 HydrophobicContact CD1-CD2 4.41Å; L237-F245 HydrophobicContact CD1-CE2 4.12Å; L237-F245 HydrophobicContact CD2-CE2 4.12Å; K241-F245 WeakPolarHBondContact O-CG 3.07Å; K241-F245 PolarHBondContact O-N 3.43Å; K242-F245 PolarHBondContact O-N 2.9Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.45Å; F245-Q248 PolarHBondContact O-N 3.46Å; F245-I249 WeakPolarHBondContact O-CD1 3.48Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.43Å; F245-I249 PolarHBondContact O-N 3.49Å; F245-V273 HydrophobicContact CE1-CG1 4.26Å; F245-V273 HydrophobicContact CE2-CG1 4.32Å; F245-V273 HydrophobicContact CZ-CG1 3.72Å; F245-C280 HydrophobicContact CD1-CB 3.89Å; F245-C280 HydrophobicContact CE1-CB 4.34Å; F245-C280 HydrophobicContact CG-CB 4.37Å; F245-C280 PolarHBondContact O-SG 3.3Å |
| 246 | C | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.7 | -65 | 0 | 0 | 0 | 0 | 111.4 | K242 Q243 I249 A250 F333 L380 | K242-C246 PolarHBondContact O-N 3.35Å; K242-C246 PolarHBondContact O-SG 2.92Å; Q243-C246 PolarHBondContact O-N 2.81Å; C246-I249 PolarHBondContact O-N 3.31Å; C246-A250 WeakPolarHBondContact O-CB 3.47Å; C246-A250 PolarHBondContact O-N 2.94Å; C246-F333 HydrophobicContact CB-CZ 4.27Å; C246-F333 WeakPolarHBondContact O-CZ 3.44Å; C246-L380 HydrophobicContact CB-CD2 4.14Å |
| 247 | K | 97 | Very high | 95.5 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 26% | 0.261 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.9 | -178.3 | -176.7 | 174.6 | -176.4 | 0 | 112.3 | Q243 N244 F245 I249 A250 C251 L405 | Q243-K247 WeakPolarHBondContact O-CB 3.34Å; Q243-K247 PolarHBondContact O-N 3.41Å; N244-K247 WeakPolarHBondContact O-CB 3.42Å; N244-K247 PolarHBondContact O-N 3.35Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.45Å; K247-I249 VanDerWaalsContact C-N 3.33Å; K247-I249 PolarHBondContact O-N 2.91Å; K247-A250 PolarHBondContact O-N 3.41Å; K247-C251 PolarHBondContact O-N 2.92Å; K247-C251 PolarHBondContact O-SG 3.45Å; K247-L405 HydrophobicContact CB-CB 4.34Å; K247-L405 HydrophobicContact CB-CD1 4.19Å; K247-L405 HydrophobicContact CG-CB 4.43Å |
| 248 | Q | 97.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.9 | -75.3 | -179.5 | 54.6 | 0 | 0 | 112.3 | N200 N244 F245 C251 A252 E278 L279 C280 | N200-Q248 HydrophobicContact CB-CB 4.32Å; N200-Q248 WeakPolarHBondContact CB-O 3.32Å; N200-Q248 WeakPolarHBondContact ND2-CB 3.18Å; N200-Q248 PolarHBondContact ND2-OE1 3.15Å; N244-Q248 PolarHBondContact ND2-NE2 3.41Å; N244-Q248 WeakPolarHBondContact O-CG 3.38Å; N244-Q248 PolarHBondContact O-N 3.31Å; F245-Q248 PolarHBondContact O-N 3.46Å; Q248-C251 PolarHBondContact O-N 3.45Å; Q248-A252 PolarHBondContact O-N 3.14Å; Q248-E278 PolarHBondContact NE2-O 3Å; Q248-L279 VanDerWaalsContact OE1-CA 3.23Å; Q248-C280 WeakPolarHBondContact CB-SG 3.49Å |
| 249 | I | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 175.9 | -62.2 | 157.6 | 0 | 0 | 0 | 110.7 | L226 F245 C246 K247 C251 A252 L253 V271 F333 L336 | L226-I249 HydrophobicContact CD2-CD1 4.2Å; F245-I249 WeakPolarHBondContact O-CD1 3.48Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.43Å; F245-I249 PolarHBondContact O-N 3.49Å; C246-I249 PolarHBondContact O-N 3.31Å; K247-I249 VanDerWaalsContact C-N 3.33Å; K247-I249 PolarHBondContact O-N 2.91Å; I249-C251 VanDerWaalsContact C-N 3.33Å; I249-C251 PolarHBondContact O-N 3.23Å; I249-A252 WeakPolarHBondContact O-CB 3.42Å; I249-A252 PolarHBondContact O-N 2.9Å; I249-A252 VanDerWaalsContact O-N 3.16Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 2.87Å; I249-V271 HydrophobicContact CD1-CB 4.48Å; I249-V271 HydrophobicContact CD1-CG1 3.95Å; I249-V271 HydrophobicContact CD1-CG2 3.82Å; I249-V271 HydrophobicContact CG1-CG1 4.1Å; I249-V271 HydrophobicContact CG1-CG2 4.05Å; I249-F333 HydrophobicContact CB-CE2 3.98Å; I249-F333 HydrophobicContact CG2-CD2 3.86Å; I249-F333 HydrophobicContact CG2-CE2 3.77Å; I249-L336 HydrophobicContact CD1-CD1 4.21Å; I249-L336 HydrophobicContact CD1-CD2 3.78Å; I249-L336 HydrophobicContact CG2-CD1 4.48Å |
| 250 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C246 K247 A252 L253 D254 F333 F398 I401 L405 | C246-A250 WeakPolarHBondContact O-CB 3.47Å; C246-A250 PolarHBondContact O-N 2.94Å; K247-A250 PolarHBondContact O-N 3.41Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 3.49Å; A250-L253 PolarHBondContact O-N 3.18Å; A250-D254 WeakPolarHBondContact O-CB 3.36Å; A250-D254 PolarHBondContact O-N 3.12Å; A250-F333 HydrophobicContact CB-CE1 4.3Å; A250-F333 HydrophobicContact CB-CE2 4.36Å; A250-F333 HydrophobicContact CB-CZ 3.83Å; A250-F398 HydrophobicContact CB-CD1 4.12Å; A250-I401 HydrophobicContact CB-CG2 4.03Å; A250-L405 HydrophobicContact CB-CD1 4Å |
| 251 | C | 98.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 28 Ų | 28 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | K247 Q248 I249 Y255 | K247-C251 PolarHBondContact O-N 2.92Å; K247-C251 PolarHBondContact O-SG 3.45Å; Q248-C251 PolarHBondContact O-N 3.45Å; I249-C251 VanDerWaalsContact C-N 3.33Å; I249-C251 PolarHBondContact O-N 3.23Å; C251-Y255 PolarHBondContact O-N 2.86Å |
| 252 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N200 I201 Q248 I249 A250 Y255 C256 L282 | N200-A252 HydrophobicContact CB-CB 3.97Å; N200-A252 VanDerWaalsContact O-CB 3.3Å; N200-A252 WeakPolarHBondContact O-CB 3.48Å; I201-A252 HydrophobicContact CD1-CB 4.42Å; I201-A252 HydrophobicContact CG1-CB 3.78Å; Q248-A252 PolarHBondContact O-N 3.14Å; I249-A252 WeakPolarHBondContact O-CB 3.42Å; I249-A252 PolarHBondContact O-N 2.9Å; I249-A252 VanDerWaalsContact O-N 3.16Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 3.49Å; A252-Y255 WeakPolarHBondContact O-CB 3.47Å; A252-Y255 PolarHBondContact O-N 2.8Å; A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 2.58Å; A252-L282 HydrophobicContact CB-CB 4.24Å |
| 253 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71 | -37.5 | -179.5 | -70.3 | 166.3 | 0 | 0 | 0 | 112.4 | I249 A250 Y255 C256 H257 H263 V266 L282 F333 F398 | I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 2.87Å; A250-L253 PolarHBondContact O-N 3.18Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.78Å; L253-C256 WeakPolarHBondContact O-CB 3.42Å; L253-C256 PolarHBondContact O-N 2.69Å; L253-H257 WeakPolarHBondContact O-CB 3.33Å; L253-H257 PolarHBondContact O-CD2 3.43Å; L253-H257 PolarHBondContact O-N 2.76Å; L253-H263 HydrophobicContact CD2-CB 4.02Å; L253-V266 HydrophobicContact CD1-CG1 3.98Å; L253-V266 HydrophobicContact CD1-CG2 4.1Å; L253-V266 HydrophobicContact CD2-CG2 3.71Å; L253-L282 HydrophobicContact CD2-CD2 3.54Å; L253-L282 HydrophobicContact CG-CD2 3.96Å; L253-F333 HydrophobicContact CD1-CB 4.38Å; L253-F333 HydrophobicContact CD1-CD2 4.1Å; L253-F333 HydrophobicContact CD1-CG 4.48Å; L253-F398 HydrophobicContact CB-CD1 3.88Å; L253-F398 HydrophobicContact CB-CD2 3.57Å; L253-F398 HydrophobicContact CB-CE1 3.79Å; L253-F398 HydrophobicContact CB-CE2 3.48Å; L253-F398 VanDerWaalsContact CB-CE2 3.48Å; L253-F398 HydrophobicContact CB-CG 3.8Å; L253-F398 HydrophobicContact CB-CZ 3.61Å; L253-F398 HydrophobicContact CD1-CD1 4.42Å; L253-F398 HydrophobicContact CD1-CE1 3.55Å; L253-F398 HydrophobicContact CD1-CE2 3.99Å; L253-F398 HydrophobicContact CD1-CZ 3.3Å; L253-F398 HydrophobicContact CG-CE1 4.29Å; L253-F398 HydrophobicContact CG-CE2 4.2Å; L253-F398 HydrophobicContact CG-CZ 3.99Å |
| 254 | D | 98.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 23.9 Ų | 23.9 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 171 | -162.5 | 49.7 | 0 | 0 | 0 | 110.9 | A250 H257 S258 F398 N399 | A250-D254 WeakPolarHBondContact O-CB 3.36Å; A250-D254 PolarHBondContact O-N 3.12Å; D254-H257 PolarHBondContact O-N 2.71Å; D254-S258 WeakPolarHBondContact O-CB 3.33Å; D254-S258 PolarHBondContact O-N 3.01Å; D254-S258 PolarHBondContact O-OG 3.06Å; D254-F398 HydrophobicContact CB-CB 3.66Å; D254-N399 PolarHBondContact OD1-N 2.68Å |
| 255 | Y | 98 | Very high | 96.5 | Very high | 65 Ų | 65 | 21.3 Ų | 21.3 | 26% | 0.255 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.4 | -177.2 | -99.6 | 0 | 0 | 0 | 112.2 | L196 H198 I201 C251 A252 L253 H257 S258 N259 | L196-Y255 HydrophobicContact CB-CE1 4.18Å; L196-Y255 HydrophobicContact CD2-CD1 4.18Å; L196-Y255 HydrophobicContact CD2-CE1 3.64Å; L196-Y255 HydrophobicContact CG-CE1 4.48Å; H198-Y255 HydrophobicContact CB-CD1 3.77Å; H198-Y255 HydrophobicContact CB-CE1 4.01Å; H198-Y255 HydrophobicContact CB-CG 4.15Å; H198-Y255 AromaticContact CD2-CG 3.91Å; I201-Y255 HydrophobicContact CD1-CD1 3.72Å; I201-Y255 HydrophobicContact CD1-CE1 4.41Å; C251-Y255 PolarHBondContact O-N 2.86Å; A252-Y255 WeakPolarHBondContact O-CB 3.47Å; A252-Y255 PolarHBondContact O-N 2.8Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.78Å; Y255-H257 PolarHBondContact O-N 3.35Å; Y255-S258 PolarHBondContact O-N 3.34Å; Y255-S258 PolarHBondContact O-OG 2.63Å; Y255-N259 PolarHBondContact O-N 3.34Å; Y255-N259 PolarHBondContact O-ND2 2.94Å |
| 256 | C | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 173.6 | -69.9 | 0 | 0 | 0 | 0 | 112 | I201 A252 L253 S258 N259 G260 I261 | I201-C256 VanDerWaalsContact CD1-SG 3.56Å; A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 2.58Å; L253-C256 WeakPolarHBondContact O-CB 3.42Å; L253-C256 PolarHBondContact O-N 2.69Å; C256-S258 PolarHBondContact O-N 3.47Å; C256-N259 CarbonylContact O-C 3.59Å; C256-N259 WeakPolarHBondContact O-CA 3.5Å; C256-N259 PolarHBondContact O-N 3.22Å; C256-G260 PolarHBondContact O-N 2.8Å; C256-I261 CarbonylContact C-O 3.18Å; C256-I261 VanDerWaalsContact C-O 3.29Å; C256-I261 PolarHBondContact O-N 2.85Å |
| 257 | H | 96.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 22.4 Ų | 22.4 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | -178.6 | -74.4 | -166.9 | 0 | 0 | 0 | 111.8 | L253 D254 Y255 N259 G260 I261 M326 D329 F398 | L253-H257 WeakPolarHBondContact O-CB 3.33Å; L253-H257 PolarHBondContact O-CD2 3.43Å; L253-H257 PolarHBondContact O-N 2.76Å; D254-H257 PolarHBondContact O-N 2.71Å; Y255-H257 PolarHBondContact O-N 3.35Å; H257-N259 PolarHBondContact O-N 3Å; H257-G260 PolarHBondContact O-N 2.77Å; H257-I261 PolarHBondContact CD2-O 3.33Å; H257-M326 HydrophobicContact CB-CE 3.98Å; H257-M326 HydrophobicContact CB-CG 4.31Å; H257-M326 HydrophobicContact CB-SD 3.86Å; H257-M326 PolarHBondContact CE1-O 2.82Å; H257-M326 WeakPolarHBondContact O-CE 3.26Å; H257-D329 IonicContact CD2-OD2 2.72Å; H257-D329 IonicContact CE1-OD2 2.66Å; H257-D329 IonicContact NE2-OD2 3.54Å; H257-D329 PolarHBondContact NE2-OD2 2.85Å; H257-F398 AromaticContact CE1-CD2 3.43Å; H257-F398 VanDerWaalsContact CE1-CD2 3.43Å; H257-F398 WeakPolarHBondContact CE1-CD2 3.45Å; H257-F398 AromaticContact CE1-CE2 3.38Å; H257-F398 WeakPolarHBondContact CE1-CE2 3.42Å; H257-F398 AromaticContact ND1-CD2 3.48Å; H257-F398 WeakPolarHBondContact ND1-CD2 3.39Å; H257-F398 AromaticContact ND1-CE2 3.94Å; H257-F398 AromaticContact NE2-CE2 3.98Å |
| 258 | S | 95.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 19.5 Ų | 19.5 | 62% | 0.622 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -60.7 | -26.7 | 174.1 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | D254 Y255 C256 G260 | D254-S258 WeakPolarHBondContact O-CB 3.33Å; D254-S258 PolarHBondContact O-N 3.01Å; D254-S258 PolarHBondContact O-OG 3.06Å; Y255-S258 PolarHBondContact O-N 3.34Å; Y255-S258 PolarHBondContact O-OG 2.63Å; C256-S258 PolarHBondContact O-N 3.47Å; S258-G260 VanDerWaalsContact C-N 3.34Å |
| 259 | N | 94.3 | Very high | 96.3 | Very high | 77 Ų | 77 | 20.2 Ų | 20.2 | 41% | 0.412 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 8.9 | 174.3 | -75 | -85.6 | 0 | 0 | 0 | 113.2 | L196 Y255 C256 H257 I261 | L196-N259 HydrophobicContact CD2-CB 4.05Å; Y255-N259 PolarHBondContact O-N 3.34Å; Y255-N259 PolarHBondContact O-ND2 2.94Å; C256-N259 CarbonylContact O-C 3.59Å; C256-N259 WeakPolarHBondContact O-CA 3.5Å; C256-N259 PolarHBondContact O-N 3.22Å; H257-N259 PolarHBondContact O-N 3Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-I261 HydrophobicContact CB-CD1 4.17Å; N259-I261 PolarHBondContact O-N 3.47Å |
| 260 | G | 93.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 17% | 0.165 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 32 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C256 H257 S258 K290 I291 | C256-G260 PolarHBondContact O-N 2.8Å; H257-G260 PolarHBondContact O-N 2.77Å; S258-G260 VanDerWaalsContact C-N 3.34Å; G260-K290 CarbonylContact O-C 3.56Å; G260-K290 WeakPolarHBondContact O-CA 3.33Å; G260-I291 WeakPolarHBondContact O-CG1 3.48Å; G260-I291 PolarHBondContact O-N 2.8Å |
| 261 | I | 93.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.8 | -179.8 | -65.7 | 158.1 | 0 | 0 | 0 | 109.6 | N192 L196 C256 H257 N259 M289 K290 | N192-I261 WeakPolarHBondContact O-CD1 3.13Å; L196-I261 HydrophobicContact CD1-CD1 4.05Å; L196-I261 HydrophobicContact CD2-CD1 3.83Å; L196-I261 HydrophobicContact CG-CD1 4.14Å; C256-I261 CarbonylContact C-O 3.18Å; C256-I261 VanDerWaalsContact C-O 3.29Å; C256-I261 PolarHBondContact O-N 2.85Å; H257-I261 PolarHBondContact CD2-O 3.33Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-I261 HydrophobicContact CB-CD1 4.17Å; N259-I261 PolarHBondContact O-N 3.47Å; I261-M289 WeakPolarHBondContact CA-O 3.34Å; I261-K290 HydrophobicContact CG1-CG 3.87Å |
| 262 | L | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 137.1 | 169 | -54.7 | -175.2 | 0 | 0 | 0 | 109.5 | L264 S288 M289 I291 P324 M326 D329 | L262-L264 HydrophobicContact CB-CD1 4.4Å; L262-L264 HydrophobicContact CB-CD2 3.93Å; L262-L264 HydrophobicContact CB-CG 3.88Å; L262-L264 HydrophobicContact CD1-CD2 4.25Å; L262-S288 CarbonylContact O-C 3.57Å; L262-S288 WeakPolarHBondContact O-CA 3.48Å; L262-S288 WeakPolarHBondContact O-CB 3.37Å; L262-M289 PolarHBondContact N-O 3.45Å; L262-M289 PolarHBondContact O-N 2.86Å; L262-I291 HydrophobicContact CD1-CG2 3.66Å; L262-I291 HydrophobicContact CD2-CD1 3.79Å; L262-I291 HydrophobicContact CD2-CG1 4.44Å; L262-I291 HydrophobicContact CG-CD1 4.11Å; L262-I291 HydrophobicContact CG-CG1 4.29Å; L262-I291 HydrophobicContact CG-CG2 3.95Å; L262-P324 HydrophobicContact CD1-CB 3.9Å; L262-P324 HydrophobicContact CD1-CG 4.46Å; L262-M326 HydrophobicContact CD2-CB 4.15Å; L262-M326 HydrophobicContact CD2-CG 3.6Å; L262-D329 WeakPolarHBondContact CA-OD2 3.35Å |
| 263 | H | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -81.7 | -44.9 | 179.6 | -170.4 | -79.8 | 0 | 0 | 0 | 112.3 | L253 D265 V266 G283 D284 F285 D329 | L253-H263 HydrophobicContact CD2-CB 4.02Å; H263-D265 PolarHBondContact CE1-O 2.94Å; H263-D265 VanDerWaalsContact CE1-O 3.27Å; H263-D265 VanDerWaalsContact ND1-C 3.26Å; H263-D265 PolarHBondContact ND1-N 2.84Å; H263-D265 PolarHBondContact ND1-O 3.42Å; H263-D265 PolarHBondContact O-N 2.86Å; H263-V266 HydrophobicContact CB-CG2 3.8Å; H263-V266 PolarHBondContact ND1-N 3.49Å; H263-G283 PolarHBondContact NE2-O 2.84Å; H263-G283 VanDerWaalsContact NE2-O 3.15Å; H263-D284 PolarHBondContact CE1-O 2.73Å; H263-D284 VanDerWaalsContact CE1-O 3.26Å; H263-D284 PolarHBondContact NE2-O 3.07Å; H263-F285 AromaticContact CD2-CD1 3.76Å; H263-F285 AromaticContact CD2-CE1 3.59Å; H263-F285 AromaticContact CD2-CZ 3.93Å; H263-D329 PolarHBondContact N-OD1 3.31Å; H263-D329 PolarHBondContact N-OD2 3.28Å | ||
| 264 | L | 95.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 63.7 | -4 | 176.4 | -54.6 | -179.4 | 0 | 0 | 0 | 117.2 | L262 C287 M289 L318 P324 A328 D329 | L262-L264 HydrophobicContact CB-CD1 4.4Å; L262-L264 HydrophobicContact CB-CD2 3.93Å; L262-L264 HydrophobicContact CB-CG 3.88Å; L262-L264 HydrophobicContact CD1-CD2 4.25Å; L264-C287 HydrophobicContact CB-CB 4.36Å; L264-M289 HydrophobicContact CD1-CB 3.81Å; L264-M289 HydrophobicContact CD1-CE 4.45Å; L264-M289 HydrophobicContact CD1-SD 4.24Å; L264-L318 HydrophobicContact CD2-CD1 4.42Å; L264-P324 HydrophobicContact CD1-CB 4.06Å; L264-P324 HydrophobicContact CD1-CG 4.27Å; L264-P324 HydrophobicContact CD2-CB 3.69Å; L264-A328 HydrophobicContact CD2-CB 4.25Å; L264-D329 WeakPolarHBondContact CA-OD1 3.08Å; L264-D329 PolarHBondContact N-OD1 2.84Å |
| 265 | D | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -135.7 | 49.9 | 170.1 | -161.5 | 37.6 | 0 | 0 | 0 | 112 | H263 K267 N270 C287 G309 T310 | H263-D265 PolarHBondContact CE1-O 2.94Å; H263-D265 VanDerWaalsContact CE1-O 3.27Å; H263-D265 VanDerWaalsContact ND1-C 3.26Å; H263-D265 PolarHBondContact ND1-N 2.84Å; H263-D265 PolarHBondContact ND1-O 3.42Å; H263-D265 PolarHBondContact O-N 2.86Å; D265-K267 PolarHBondContact O-N 2.95Å; D265-K267 IonicContact OD1-NZ 3.6Å; D265-K267 PolarHBondContact OD1-NZ 3.34Å; D265-K267 WeakPolarHBondContact OD2-CE 3.22Å; D265-K267 IonicContact OD2-NZ 3.55Å; D265-K267 PolarHBondContact OD2-NZ 2.9Å; D265-N270 PolarHBondContact O-ND2 2.96Å; D265-N270 PolarHBondContact OD2-ND2 3.34Å; D265-C287 HydrophobicContact CB-CB 3.9Å; D265-G309 WeakPolarHBondContact OD1-CA 3.17Å; D265-T310 WeakPolarHBondContact OD1-CB 3.16Å; D265-T310 PolarHBondContact OD1-N 3.28Å; D265-T310 PolarHBondContact OD1-OG1 3.33Å | ||
| 266 | V | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -72.8 | 115.5 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | L253 H263 D329 L336 | L253-V266 HydrophobicContact CD1-CG1 3.98Å; L253-V266 HydrophobicContact CD1-CG2 4.1Å; L253-V266 HydrophobicContact CD2-CG2 3.71Å; H263-V266 HydrophobicContact CB-CG2 3.8Å; H263-V266 PolarHBondContact ND1-N 3.49Å; V266-D329 HydrophobicContact CG2-CB 4.21Å; V266-L336 HydrophobicContact CG1-CD1 3.95Å | ||
| 267 | K | 96 | Very high | 91.7 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | trans | -160.4 | 160.9 | 178.5 | 57.9 | -175.9 | 170.5 | -170.7 | 0 | 110.7 | D265 S269 N270 T310 Y313 | D265-K267 PolarHBondContact O-N 2.95Å; D265-K267 IonicContact OD1-NZ 3.6Å; D265-K267 PolarHBondContact OD1-NZ 3.34Å; D265-K267 WeakPolarHBondContact OD2-CE 3.22Å; D265-K267 IonicContact OD2-NZ 3.55Å; D265-K267 PolarHBondContact OD2-NZ 2.9Å; K267-S269 VanDerWaalsContact CD-OG 3.24Å; K267-S269 WeakPolarHBondContact CD-OG 3.41Å; K267-S269 WeakPolarHBondContact CE-OG 3.21Å; K267-S269 WeakPolarHBondContact CG-OG 3.14Å; K267-S269 PolarHBondContact O-N 3.47Å; K267-N270 WeakPolarHBondContact CE-ND2 3.26Å; K267-N270 WeakPolarHBondContact CE-OD1 3.33Å; K267-N270 HydrophobicContact CG-CB 4.12Å; K267-N270 PolarHBondContact O-N 3.06Å; K267-T310 WeakPolarHBondContact CD-OG1 3.17Å; K267-T310 WeakPolarHBondContact CE-OG1 3.02Å; K267-T310 PolarHBondContact NZ-OG1 2.94Å; K267-Y313 HydrophobicContact CB-CD1 3.87Å; K267-Y313 HydrophobicContact CB-CD2 3.93Å; K267-Y313 HydrophobicContact CB-CE1 3.66Å; K267-Y313 HydrophobicContact CB-CE2 3.72Å; K267-Y313 HydrophobicContact CB-CG 4.01Å; K267-Y313 HydrophobicContact CD-CE2 4.39Å | ||
| 268 | T | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.1 | -29.1 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | L226 Q227 L230 N270 V271 L336 E339 | L226-T268 WeakPolarHBondContact CB-O 3.45Å; L226-T268 HydrophobicContact CD2-CG2 4.22Å; L226-T268 HydrophobicContact CG-CG2 4.31Å; L226-T268 PolarHBondContact N-O 3.32Å; Q227-T268 WeakPolarHBondContact CB-OG1 3.48Å; Q227-T268 PolarHBondContact N-O 3.46Å; L230-T268 HydrophobicContact CD1-CG2 3.78Å; T268-N270 PolarHBondContact O-N 3.41Å; T268-V271 PolarHBondContact O-N 3.29Å; T268-L336 HydrophobicContact CG2-CD1 4.44Å; T268-L336 HydrophobicContact CG2-CG 3.84Å; T268-E339 WeakPolarHBondContact CB-OE2 3.36Å; T268-E339 HydrophobicContact CG2-CB 4.14Å; T268-E339 HydrophobicContact CG2-CG 3.95Å; T268-E339 WeakPolarHBondContact CG2-OE2 3.39Å; T268-E339 PolarHBondContact OG1-OE1 3.42Å; T268-E339 PolarHBondContact OG1-OE2 3.13Å |
| 269 | S | 94.3 | Very high | 91 | Very high | 28 Ų | 28 | 40 Ų | 40 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -70 | -19.9 | 177.1 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | N225 K267 | N225-S269 WeakPolarHBondContact CB-O 3.17Å; K267-S269 VanDerWaalsContact CD-OG 3.24Å; K267-S269 WeakPolarHBondContact CD-OG 3.41Å; K267-S269 WeakPolarHBondContact CE-OG 3.21Å; K267-S269 WeakPolarHBondContact CG-OG 3.14Å; K267-S269 PolarHBondContact O-N 3.47Å |
| 270 | N | 95.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -96.5 | 4.5 | 178.5 | -71.2 | 3.3 | 0 | 0 | 0 | 112.3 | D265 K267 T268 G283 D284 | D265-N270 PolarHBondContact O-ND2 2.96Å; D265-N270 PolarHBondContact OD2-ND2 3.34Å; K267-N270 WeakPolarHBondContact CE-ND2 3.26Å; K267-N270 WeakPolarHBondContact CE-OD1 3.33Å; K267-N270 HydrophobicContact CG-CB 4.12Å; K267-N270 PolarHBondContact O-N 3.06Å; T268-N270 PolarHBondContact O-N 3.41Å; N270-G283 PolarHBondContact O-N 3.24Å; N270-D284 HydrophobicContact CB-CB 4.38Å |
| 271 | V | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 111.7 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | N225 L226 I249 T268 C280 K281 L282 L336 | N225-V271 CarbonylContact C-O 3.54Å; N225-V271 WeakPolarHBondContact CA-O 3.35Å; N225-V271 WeakPolarHBondContact CB-O 3.37Å; L226-V271 HydrophobicContact CB-CB 3.96Å; L226-V271 HydrophobicContact CB-CG1 4.05Å; L226-V271 HydrophobicContact CD2-CB 4.37Å; L226-V271 HydrophobicContact CD2-CG1 4.14Å; L226-V271 PolarHBondContact N-O 3.02Å; I249-V271 HydrophobicContact CD1-CB 4.48Å; I249-V271 HydrophobicContact CD1-CG1 3.95Å; I249-V271 HydrophobicContact CD1-CG2 3.82Å; I249-V271 HydrophobicContact CG1-CG1 4.1Å; I249-V271 HydrophobicContact CG1-CG2 4.05Å; T268-V271 PolarHBondContact O-N 3.29Å; V271-C280 HydrophobicContact CG1-CB 3.64Å; V271-K281 CarbonylContact C-O 3.59Å; V271-K281 WeakPolarHBondContact CA-O 3.35Å; V271-L282 HydrophobicContact CG2-CD1 4.23Å; V271-L336 HydrophobicContact CG2-CD1 4.11Å |
| 272 | L | 95.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139 | 176.1 | -58.8 | -177.4 | 0 | 0 | 0 | 110.3 | V202 A221 N225 C280 K281 | V202-L272 HydrophobicContact CG2-CD1 3.79Å; V202-L272 HydrophobicContact CG2-CG 4.31Å; A221-L272 HydrophobicContact CB-CB 3.78Å; A221-L272 HydrophobicContact CB-CD1 3.74Å; A221-L272 HydrophobicContact CB-CG 4.41Å; N225-L272 HydrophobicContact CB-CD2 4.07Å; L272-C280 CarbonylContact O-C 3.56Å; L272-C280 VanDerWaalsContact O-CA 3.22Å; L272-C280 WeakPolarHBondContact O-CA 3.48Å; L272-K281 PolarHBondContact N-O 2.97Å; L272-K281 PolarHBondContact O-N 2.88Å |
| 273 | V | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.9 | -177.9 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | H224 L226 L229 F245 E275 C280 | H224-V273 PolarHBondContact O-N 3.3Å; L226-V273 HydrophobicContact CB-CG2 4.01Å; L226-V273 HydrophobicContact CD1-CG2 4.26Å; L229-V273 HydrophobicContact CD1-CB 3.66Å; L229-V273 HydrophobicContact CD1-CG1 3.62Å; L229-V273 HydrophobicContact CD1-CG2 3.83Å; F245-V273 HydrophobicContact CE1-CG1 4.26Å; F245-V273 HydrophobicContact CE2-CG1 4.32Å; F245-V273 HydrophobicContact CZ-CG1 3.72Å; V273-E275 HydrophobicContact CG1-CG 4.34Å; V273-E275 PolarHBondContact O-N 3.16Å; V273-C280 HydrophobicContact CG2-CB 4.28Å |
| 274 | C | 86.3 | Confident | 91.2 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 87.9 | 169.5 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | A221 K276 Q277 E278 L279 | A221-C274 WeakPolarHBondContact O-CB 3.28Å; C274-K276 VanDerWaalsContact C-N 3.27Å; C274-K276 PolarHBondContact O-N 3.46Å; C274-Q277 PolarHBondContact O-N 2.98Å; C274-E278 PolarHBondContact O-N 3.48Å; C274-E278 VanDerWaalsContact O-N 3.16Å; C274-L279 HydrophobicContact CB-CB 4.4Å; C274-L279 PolarHBondContact N-O 3.49Å; C274-L279 PolarHBondContact O-N 3.39Å |
| 275 | E | 70.9 | Confident | 91 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 49% | 0.486 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -53.8 | -41.3 | -173 | -68.5 | -177.6 | 178 | 0 | 0 | 113.5 | H224 L229 V273 Q277 E278 | H224-E275 IonicContact CD2-OE1 3.53Å; H224-E275 PolarHBondContact CD2-OE1 3.43Å; L229-E275 WeakPolarHBondContact CD2-OE1 3.39Å; V273-E275 HydrophobicContact CG1-CG 4.34Å; V273-E275 PolarHBondContact O-N 3.16Å; E275-Q277 PolarHBondContact O-N 3Å; E275-E278 PolarHBondContact O-N 3.22Å |
| 276 | K | 72.9 | Confident | 90.7 | Very high | 207 Ų | 207 | 38.6 Ų | 38.6 | 90% | 0.9 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -62.3 | -26 | -178.1 | -68.3 | -174.5 | 179.7 | -179.9 | 0 | 113.6 | C274 | C274-K276 VanDerWaalsContact C-N 3.27Å; C274-K276 PolarHBondContact O-N 3.46Å |
| 277 | Q | 76 | Confident | 90.2 | Very high | 126 Ų | 126 | 38.7 Ų | 38.7 | 59% | 0.589 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -109.4 | -3.2 | -174.3 | -63.3 | -178.7 | -32.2 | 0 | 0 | 112.4 | C274 E275 L279 | C274-Q277 PolarHBondContact O-N 2.98Å; E275-Q277 PolarHBondContact O-N 3Å; Q277-L279 HydrophobicContact CB-CB 4.15Å; Q277-L279 HydrophobicContact CB-CD1 3.78Å; Q277-L279 HydrophobicContact CB-CG 3.86Å; Q277-L279 PolarHBondContact O-N 2.91Å; Q277-L279 VanDerWaalsContact O-N 3.15Å |
| 278 | E | 84.9 | Confident | 90 | Very high | 86 Ų | 86 | 37.3 Ų | 37.3 | 40% | 0.402 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 33.4 | -169.5 | -53.3 | -164.1 | 136.4 | 0 | 0 | 112.6 | K241 Q248 C274 E275 | K241-E278 WeakPolarHBondContact CE-OE1 3.32Å; K241-E278 IonicContact NZ-OE1 3.59Å; K241-E278 PolarHBondContact NZ-OE1 3.32Å; Q248-E278 PolarHBondContact NE2-O 3Å; C274-E278 PolarHBondContact O-N 3.48Å; C274-E278 VanDerWaalsContact O-N 3.16Å; E275-E278 PolarHBondContact O-N 3.22Å |
| 279 | L | 93 | Very high | 89.8 | Confident | 56 Ų | 56 | 38.6 Ų | 38.6 | 29% | 0.293 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.4 | 178.9 | -70.6 | 174 | 0 | 0 | 0 | 110.1 | Q248 C274 Q277 | Q248-L279 VanDerWaalsContact OE1-CA 3.23Å; C274-L279 HydrophobicContact CB-CB 4.4Å; C274-L279 PolarHBondContact N-O 3.49Å; C274-L279 PolarHBondContact O-N 3.39Å; Q277-L279 HydrophobicContact CB-CB 4.15Å; Q277-L279 HydrophobicContact CB-CD1 3.78Å; Q277-L279 HydrophobicContact CB-CG 3.86Å; Q277-L279 PolarHBondContact O-N 2.91Å; Q277-L279 VanDerWaalsContact O-N 3.15Å |
| 280 | C | 96 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.3 | 165.6 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | N200 F245 Q248 V271 L272 V273 | N200-C280 WeakPolarHBondContact CA-O 3.49Å; N200-C280 WeakPolarHBondContact CB-O 3.49Å; N200-C280 PolarHBondContact ND2-O 3.23Å; F245-C280 HydrophobicContact CD1-CB 3.89Å; F245-C280 HydrophobicContact CE1-CB 4.34Å; F245-C280 HydrophobicContact CG-CB 4.37Å; F245-C280 PolarHBondContact O-SG 3.3Å; Q248-C280 WeakPolarHBondContact CB-SG 3.49Å; V271-C280 HydrophobicContact CG1-CB 3.64Å; L272-C280 CarbonylContact O-C 3.56Å; L272-C280 VanDerWaalsContact O-CA 3.22Å; L272-C280 WeakPolarHBondContact O-CA 3.48Å; V273-C280 HydrophobicContact CG2-CB 4.28Å |
| 281 | K | 97.2 | Very high | 89 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.3 | -178.5 | -76.6 | 170 | 169.2 | -86.9 | 0 | 109.9 | P199 N200 I201 V202 E219 A221 V271 L272 | P199-K281 WeakPolarHBondContact O-CE 3.24Å; P199-K281 VanDerWaalsContact O-CG 3.31Å; P199-K281 WeakPolarHBondContact O-CG 3.3Å; P199-K281 PolarHBondContact O-NZ 3.01Å; N200-K281 CarbonylContact O-C 3.53Å; N200-K281 WeakPolarHBondContact O-CA 3.4Å; I201-K281 PolarHBondContact O-NZ 3.17Å; V202-K281 HydrophobicContact CG2-CB 3.75Å; E219-K281 IonicContact OE1-NZ 3.48Å; E219-K281 PolarHBondContact OE1-NZ 3.25Å; E219-K281 IonicContact OE2-NZ 3.53Å; A221-K281 HydrophobicContact CB-CB 4.45Å; A221-K281 HydrophobicContact CB-CD 3.84Å; V271-K281 CarbonylContact C-O 3.59Å; V271-K281 WeakPolarHBondContact CA-O 3.35Å; L272-K281 PolarHBondContact N-O 2.97Å; L272-K281 PolarHBondContact O-N 2.88Å |
| 282 | L | 97.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.5 | 171.1 | -177 | 65.2 | 0 | 0 | 0 | 109.7 | N200 I201 V202 A252 L253 V271 | N200-L282 PolarHBondContact O-N 3.01Å; I201-L282 CarbonylContact C-O 3.58Å; I201-L282 WeakPolarHBondContact CA-O 3.41Å; V202-L282 PolarHBondContact N-O 3.22Å; A252-L282 HydrophobicContact CB-CB 4.24Å; L253-L282 HydrophobicContact CD2-CD2 3.54Å; L253-L282 HydrophobicContact CG-CD2 3.96Å; V271-L282 HydrophobicContact CG2-CD1 4.23Å |
| 283 | G | 94.5 | Very high | 85.7 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | -132.3 | -173.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | H263 N270 | H263-G283 PolarHBondContact NE2-O 2.84Å; H263-G283 VanDerWaalsContact NE2-O 3.15Å; N270-G283 PolarHBondContact O-N 3.24Å | ||
| 284 | D | 91.1 | Very high | 83.6 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | trans | 60.7 | 78.8 | -177.6 | -159.4 | -10.7 | 0 | 0 | 0 | 114.3 | K172 H263 N270 G286 | K172-D284 IonicContact NZ-OD1 2.73Å; K172-D284 PolarHBondContact NZ-OD1 3.05Å; K172-D284 IonicContact NZ-OD2 3.42Å; H263-D284 PolarHBondContact CE1-O 2.73Å; H263-D284 VanDerWaalsContact CE1-O 3.26Å; H263-D284 PolarHBondContact NE2-O 3.07Å; N270-D284 HydrophobicContact CB-CB 4.38Å; D284-G286 VanDerWaalsContact C-N 3.25Å; D284-G286 PolarHBondContact O-N 2.97Å; D284-G286 PolarHBondContact OD1-N 3.36Å | ||
| 285 | F | 91.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | trans | -92.1 | 19.1 | 177.5 | -71.4 | -99.5 | 0 | 0 | 0 | 112.1 | A189 E190 A193 L196 I201 H263 C287 S288 | A189-F285 CarbonylContact C-O 3.59Å; A189-F285 VanDerWaalsContact C-O 3.22Å; A189-F285 WeakPolarHBondContact CB-O 3.49Å; E190-F285 PolarHBondContact N-O 2.98Å; E190-F285 WeakPolarHBondContact OE2-CB 3.43Å; E190-F285 PolarHBondContact OE2-N 3.3Å; E190-F285 VanDerWaalsContact OE2-N 3.17Å; A193-F285 HydrophobicContact CB-CB 3.66Å; A193-F285 HydrophobicContact CB-CD1 3.61Å; A193-F285 HydrophobicContact CB-CD2 3.58Å; A193-F285 HydrophobicContact CB-CE1 4.06Å; A193-F285 HydrophobicContact CB-CE2 4.06Å; A193-F285 HydrophobicContact CB-CG 3.34Å; A193-F285 HydrophobicContact CB-CZ 4.27Å; L196-F285 HydrophobicContact CD1-CE1 4.04Å; L196-F285 HydrophobicContact CD1-CZ 4.18Å; I201-F285 HydrophobicContact CG2-CE2 3.8Å; I201-F285 HydrophobicContact CG2-CZ 3.8Å; H263-F285 AromaticContact CD2-CD1 3.76Å; H263-F285 AromaticContact CD2-CE1 3.59Å; H263-F285 AromaticContact CD2-CZ 3.93Å; F285-C287 PolarHBondContact O-N 2.98Å; F285-S288 VanDerWaalsContact O-CB 3.26Å; F285-S288 WeakPolarHBondContact O-CB 3.4Å; F285-S288 PolarHBondContact O-N 3.11Å; F285-S288 PolarHBondContact O-OG 2.7Å | ||
| 286 | G | 87.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S186 A189 E190 D284 | S186-G286 WeakPolarHBondContact CA-O 3.34Å; S186-G286 PolarHBondContact OG-O 2.97Å; A189-G286 WeakPolarHBondContact CB-O 3.42Å; E190-G286 PolarHBondContact OE1-N 3.45Å; D284-G286 VanDerWaalsContact C-N 3.25Å; D284-G286 PolarHBondContact O-N 2.97Å; D284-G286 PolarHBondContact OD1-N 3.36Å |
| 287 | C | 89 | Confident | 78.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -4.2 | 173 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | F156 L264 D265 F285 P308 | F156-C287 WeakPolarHBondContact CZ-SG 3.31Å; L264-C287 HydrophobicContact CB-CB 4.36Å; D265-C287 HydrophobicContact CB-CB 3.9Å; F285-C287 PolarHBondContact O-N 2.98Å; C287-P308 HydrophobicContact CB-CB 3.71Å; C287-P308 WeakPolarHBondContact SG-CB 3.48Å |
| 288 | S | 91.3 | Very high | 77 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -70.7 | 158.1 | -168 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | A189 N192 L262 F285 | A189-S288 VanDerWaalsContact CB-O 3.31Å; A189-S288 WeakPolarHBondContact CB-O 3.49Å; A189-S288 PolarHBondContact O-OG 2.76Å; N192-S288 PolarHBondContact ND2-O 3.29Å; N192-S288 VanDerWaalsContact ND2-O 3.12Å; L262-S288 CarbonylContact O-C 3.57Å; L262-S288 WeakPolarHBondContact O-CA 3.48Å; L262-S288 WeakPolarHBondContact O-CB 3.37Å; F285-S288 VanDerWaalsContact O-CB 3.26Å; F285-S288 WeakPolarHBondContact O-CB 3.4Å; F285-S288 PolarHBondContact O-N 3.11Å; F285-S288 PolarHBondContact O-OG 2.7Å | ||
| 289 | M | 91.2 | Very high | 74.8 | Confident | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137.2 | -172.8 | -174.1 | 174.1 | -82.9 | 0 | 0 | 111.3 | I261 L262 L264 F297 P324 | I261-M289 WeakPolarHBondContact CA-O 3.34Å; L262-M289 PolarHBondContact N-O 3.45Å; L262-M289 PolarHBondContact O-N 2.86Å; L264-M289 HydrophobicContact CD1-CB 3.81Å; L264-M289 HydrophobicContact CD1-CE 4.45Å; L264-M289 HydrophobicContact CD1-SD 4.24Å; M289-F297 HydrophobicContact CE-CE2 4.2Å; M289-F297 HydrophobicContact CE-CZ 3.8Å; M289-F297 HydrophobicContact CG-CE2 4.1Å; M289-F297 HydrophobicContact SD-CD2 4.26Å; M289-F297 HydrophobicContact SD-CE2 3.13Å; M289-F297 WeakPolarHBondContact SD-CE2 3.41Å; M289-F297 HydrophobicContact SD-CZ 3.33Å; M289-F297 WeakPolarHBondContact SD-CZ 3.44Å; M289-P324 HydrophobicContact CE-CG 4.36Å; M289-P324 HydrophobicContact SD-CG 3.49Å; M289-P324 WeakPolarHBondContact SD-CG 3.22Å |
| 290 | K | 88.2 | Confident | 72.3 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128 | 170.3 | -86.2 | 178.1 | -179.8 | 169.5 | 0 | 110.7 | N192 G260 I261 | N192-K290 HydrophobicContact CB-CG 4.19Å; N192-K290 WeakPolarHBondContact OD1-CD 3.44Å; N192-K290 WeakPolarHBondContact OD1-CG 3.42Å; G260-K290 CarbonylContact O-C 3.56Å; G260-K290 WeakPolarHBondContact O-CA 3.33Å; I261-K290 HydrophobicContact CG1-CG 3.87Å |
| 291 | I | 85.5 | Confident | 69.5 | Low | 33 Ų | 33 | 70.1 Ų | 70.1 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 133 | 170.5 | 49.8 | 170.4 | 0 | 0 | 0 | 109 | G260 L262 M326 | G260-I291 WeakPolarHBondContact O-CG1 3.48Å; G260-I291 PolarHBondContact O-N 2.8Å; L262-I291 HydrophobicContact CD1-CG2 3.66Å; L262-I291 HydrophobicContact CD2-CD1 3.79Å; L262-I291 HydrophobicContact CD2-CG1 4.44Å; L262-I291 HydrophobicContact CG-CD1 4.11Å; L262-I291 HydrophobicContact CG-CG1 4.29Å; L262-I291 HydrophobicContact CG-CG2 3.95Å; I291-M326 HydrophobicContact CD1-CE 3.52Å; I291-M326 HydrophobicContact CD1-CG 3.9Å; I291-M326 HydrophobicContact CD1-SD 4.49Å |
| 292 | S | 68.6 | Low | 66.6 | Low | 68 Ų | 68 | 75.7 Ų | 75.7 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 153 | 170.9 | 60.6 | 0 | 0 | 0 | 0 | 109.7 | S294 | S292-S294 CarbonylContact O-C 3.41Å; S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 PolarHBondContact OG-O 3.15Å; S292-S294 PolarHBondContact OG-OG 3.04Å |
| 293 | S | 53 | Low | 63.7 | Low | 135 Ų | 135 | 77.6 Ų | 77.6 | 94% | 0.944 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -58.4 | -11.4 | -178.6 | 49.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 294 | S | 49.2 | Very low | 60.8 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -86.7 | 114.5 | 157.7 | 52.3 | 0 | 0 | 0 | 0 | 107.7 | S292 K296 | S292-S294 CarbonylContact O-C 3.41Å; S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 PolarHBondContact OG-O 3.15Å; S292-S294 PolarHBondContact OG-OG 3.04Å; S294-K296 CarbonylContact O-C 3.58Å; S294-K296 PolarHBondContact O-N 2.85Å |
| 295 | E | 47.4 | Very low | 58.4 | Low | 191 Ų | 191 | 84.7 Ų | 84.7 | 89% | 0.893 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -51.4 | 2.2 | 175.7 | -63.6 | 173 | 153 | 0 | 0 | 115.1 | F297 | E295-F297 PolarHBondContact O-N 3.05Š|
| 296 | K | 38.3 | Very low | 56.7 | Low | 173 Ų | 173 | 90 Ų | 90 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | trans | -85 | 105.6 | 171 | -62.8 | -173.2 | -179.9 | -177.4 | 0 | 109.2 | S294 E298 | S294-K296 CarbonylContact O-C 3.58Å; S294-K296 PolarHBondContact O-N 2.85Å; K296-E298 PolarHBondContact O-N 3.27Å | ||
| 297 | F | 43 | Very low | 55.4 | Low | 52 Ų | 52 | 91.4 Ų | 91.4 | 23% | 0.228 | 49% | 0.493 | C | S | . | . | trans | -57 | 122.1 | 163.5 | -159.3 | -113.5 | 0 | 0 | 0 | 109 | M289 E295 P299 P323 P324 | M289-F297 HydrophobicContact CE-CE2 4.2Å; M289-F297 HydrophobicContact CE-CZ 3.8Å; M289-F297 HydrophobicContact CG-CE2 4.1Å; M289-F297 HydrophobicContact SD-CD2 4.26Å; M289-F297 HydrophobicContact SD-CE2 3.13Å; M289-F297 WeakPolarHBondContact SD-CE2 3.41Å; M289-F297 HydrophobicContact SD-CZ 3.33Å; M289-F297 WeakPolarHBondContact SD-CZ 3.44Å; E295-F297 PolarHBondContact O-N 3.05Å; F297-P299 VanDerWaalsContact C-CD 3.48Å; F297-P299 HydrophobicContact CD1-CB 3.69Å; F297-P299 HydrophobicContact CD1-CG 4.15Å; F297-P299 HydrophobicContact CE1-CB 3.63Å; F297-P299 WeakPolarHBondContact O-CD 3.43Å; F297-P323 HydrophobicContact CB-CB 3.85Å; F297-P323 HydrophobicContact CD1-CB 3.8Å; F297-P323 HydrophobicContact CD1-CG 4.45Å; F297-P323 HydrophobicContact CG-CB 3.99Å; F297-P324 HydrophobicContact CE2-CG 4.26Å; F297-P324 HydrophobicContact CZ-CG 4.33Å | ||
| 298 | E | 40.3 | Very low | 54.3 | Low | 177 Ų | 177 | 92.7 Ų | 92.7 | 83% | 0.827 | 50% | 0.501 | S | S | * | . | trans | -92.1 | 91.6 | 159.2 | -82 | -91.8 | 137 | 0 | 0 | 105.5 | K296 S300 | K296-E298 PolarHBondContact O-N 3.27Å; E298-S300 PolarHBondContact O-N 3.38Å | ||
| 299 | P | 38.3 | Very low | 53.2 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | trans | -61.7 | 114.3 | 172.8 | 24.8 | -29.4 | 0 | 0 | 0 | 106.5 | F297 R301 | F297-P299 VanDerWaalsContact C-CD 3.48Å; F297-P299 HydrophobicContact CD1-CB 3.69Å; F297-P299 HydrophobicContact CD1-CG 4.15Å; F297-P299 HydrophobicContact CE1-CB 3.63Å; F297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-R301 PolarHBondContact O-N 3.35Å | ||
| 300 | S | 39.7 | Very low | 52.9 | Low | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | trans | -52.6 | 116.6 | 150 | 42.7 | 0 | 0 | 0 | 0 | 105.2 | E298 D302 C303 | E298-S300 PolarHBondContact O-N 3.38Å; S300-D302 PolarHBondContact O-N 3.23Å; S300-C303 PolarHBondContact O-N 3.05Å; S300-C303 PolarHBondContact OG-SG 3.24Å | ||
| 301 | R | 37 | Very low | 53 | Low | 229 Ų | 229 | 91.6 Ų | 91.6 | 86% | 0.864 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -53.4 | -14.4 | -168.9 | -73.3 | -179 | 173.2 | 176.6 | -2.3 | 113.8 | P299 | P299-R301 PolarHBondContact O-N 3.35Š|
| 302 | D | 37.2 | Very low | 53.4 | Low | 146 Ų | 146 | 91.6 Ų | 91.6 | 78% | 0.781 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -85.7 | -7.5 | 177.6 | -53.7 | -38.7 | 0 | 0 | 0 | 114.7 | S300 | S300-D302 PolarHBondContact O-N 3.23Š|
| 303 | C | 36.2 | Very low | 54.7 | Low | 41 Ų | 41 | 88.7 Ų | 88.7 | 28% | 0.277 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -85.2 | -6.3 | 177.8 | -73.7 | 0 | 0 | 0 | 0 | 114 | S300 S305 | S300-C303 PolarHBondContact O-N 3.05Å; S300-C303 PolarHBondContact OG-SG 3.24Å; C303-S305 PolarHBondContact O-N 3.36Å |
| 304 | C | 32.7 | Very low | 56.6 | Low | 93 Ų | 93 | 83.7 Ų | 83.7 | 63% | 0.628 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -79.5 | -8 | -174.2 | -88 | 0 | 0 | 0 | 0 | 115 | ||
| 305 | S | 42.1 | Very low | 58.9 | Low | 105 Ų | 105 | 80.5 Ų | 80.5 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -80 | -24.3 | -172.7 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | C303 | C303-S305 PolarHBondContact O-N 3.36Š|
| 306 | T | 54.8 | Low | 61.2 | Low | 114 Ų | 114 | 71.4 Ų | 71.4 | 70% | 0.699 | 38% | 0.383 | S | S | * | . | trans | -162.3 | 100.3 | 172.2 | 40 | 0 | 0 | 0 | 0 | 109.8 | P308 | T306-P308 WeakPolarHBondContact O-CD 3.37Š| ||
| 307 | I | 60.7 | Low | 63.8 | Low | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | trans | -61 | 125.6 | 169.6 | -58.4 | 179.8 | 0 | 0 | 0 | 107.3 | R314 L318 Q322 | I307-R314 PolarHBondContact O-NH1 3.3Å; I307-R314 PolarHBondContact O-NH2 2.99Å; I307-L318 HydrophobicContact CD1-CD2 3.7Å; I307-L318 HydrophobicContact CG2-CD2 4.31Å; I307-Q322 WeakPolarHBondContact CD1-O 3.49Å | ||
| 308 | P | 66.2 | Low | 66.2 | Low | 28 Ų | 28 | 61.9 Ų | 61.9 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | trans | -65.2 | 164.4 | -178.5 | -19.9 | 31.4 | 0 | 0 | 0 | 113.2 | C287 T306 R314 | C287-P308 HydrophobicContact CB-CB 3.71Å; C287-P308 WeakPolarHBondContact SG-CB 3.48Å; T306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-R314 PolarHBondContact O-NH2 3.11Å | ||
| 309 | G | 68.8 | Low | 68.7 | Low | 24 Ų | 24 | 55 Ų | 55 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 113.7 | 172.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D265 R314 | D265-G309 WeakPolarHBondContact OD1-CA 3.17Å; G309-R314 PolarHBondContact O-NH2 3.39Å; G309-R314 VanDerWaalsContact O-NH2 3.12Å |
| 310 | T | 84.2 | Confident | 71.3 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | trans | -84.9 | 118.2 | -172.9 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | D265 K267 I312 Y313 | D265-T310 WeakPolarHBondContact OD1-CB 3.16Å; D265-T310 PolarHBondContact OD1-N 3.28Å; D265-T310 PolarHBondContact OD1-OG1 3.33Å; K267-T310 WeakPolarHBondContact CD-OG1 3.17Å; K267-T310 WeakPolarHBondContact CE-OG1 3.02Å; K267-T310 PolarHBondContact NZ-OG1 2.94Å; T310-I312 VanDerWaalsContact C-N 3.3Å; T310-I312 HydrophobicContact CG2-CG1 4.13Å; T310-I312 PolarHBondContact O-N 3.16Å; T310-I312 VanDerWaalsContact O-N 3.14Å; T310-Y313 HydrophobicContact CG2-CD2 3.83Å; T310-Y313 HydrophobicContact CG2-CE2 4.18Å; T310-Y313 PolarHBondContact O-N 3.14Å | ||
| 311 | L | 89.7 | Confident | 73.6 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -51.4 | -43.2 | -170.7 | -68.7 | 177.3 | 0 | 0 | 0 | 114.1 | Y313 R314 L319 P352 V356 | L311-Y313 PolarHBondContact O-N 3.46Å; L311-R314 WeakPolarHBondContact O-CB 3.24Å; L311-R314 PolarHBondContact O-N 3.43Å; L311-R314 VanDerWaalsContact O-N 3.12Å; L311-L319 HydrophobicContact CD2-CD2 4.21Å; L311-P352 HydrophobicContact CD1-CB 4.22Å; L311-V356 HydrophobicContact CB-CG2 4.2Å; L311-V356 HydrophobicContact CD1-CG2 4.32Å; L311-V356 HydrophobicContact CD2-CG2 4.22Å; L311-V356 HydrophobicContact CG-CG2 4.49Å |
| 312 | I | 93.6 | Very high | 76.2 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -69.6 | -18.1 | -175 | 67.5 | 173.5 | 0 | 0 | 0 | 113.9 | T310 P346 F347 V355 | T310-I312 VanDerWaalsContact C-N 3.3Å; T310-I312 HydrophobicContact CG2-CG1 4.13Å; T310-I312 PolarHBondContact O-N 3.16Å; T310-I312 VanDerWaalsContact O-N 3.14Å; I312-P346 HydrophobicContact CD1-CB 4.43Å; I312-F347 HydrophobicContact CB-CD2 4.23Å; I312-F347 WeakPolarHBondContact O-CE2 3.36Å; I312-V355 HydrophobicContact CG2-CB 4.46Å; I312-V355 HydrophobicContact CG2-CG1 4.24Å; I312-V355 HydrophobicContact CG2-CG2 4.45Å |
| 313 | Y | 95.5 | Very high | 78.7 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -95.8 | -5.8 | 175.8 | -65.7 | -96.2 | 0 | 0 | 0 | 112.3 | K267 T310 L311 Y331 S332 I335 E339 P346 | K267-Y313 HydrophobicContact CB-CD1 3.87Å; K267-Y313 HydrophobicContact CB-CD2 3.93Å; K267-Y313 HydrophobicContact CB-CE1 3.66Å; K267-Y313 HydrophobicContact CB-CE2 3.72Å; K267-Y313 HydrophobicContact CB-CG 4.01Å; K267-Y313 HydrophobicContact CD-CE2 4.39Å; T310-Y313 HydrophobicContact CG2-CD2 3.83Å; T310-Y313 HydrophobicContact CG2-CE2 4.18Å; T310-Y313 PolarHBondContact O-N 3.14Å; L311-Y313 PolarHBondContact O-N 3.46Å; Y313-Y331 WeakPolarHBondContact O-CD1 3.22Å; Y313-S332 WeakPolarHBondContact O-CA 3.14Å; Y313-S332 WeakPolarHBondContact O-CB 3.47Å; Y313-S332 PolarHBondContact O-OG 2.91Å; Y313-I335 HydrophobicContact CD1-CB 3.85Å; Y313-I335 HydrophobicContact CD1-CG2 3.52Å; Y313-I335 HydrophobicContact CE1-CB 4.36Å; Y313-I335 HydrophobicContact CE1-CG2 3.71Å; Y313-I335 HydrophobicContact CG-CG2 4.26Å; Y313-E339 PolarHBondContact OH-OE2 3.31Å; Y313-P346 HydrophobicContact CE1-CG 4.39Å |
| 314 | R | 94.5 | Very high | 81.4 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | trans | -80.8 | 140.2 | -170.1 | -169.9 | 176.3 | -74.2 | 166.1 | 2.5 | 111.6 | I307 P308 G309 L311 L318 L319 Y331 | I307-R314 PolarHBondContact O-NH1 3.3Å; I307-R314 PolarHBondContact O-NH2 2.99Å; P308-R314 PolarHBondContact O-NH2 3.11Å; G309-R314 PolarHBondContact O-NH2 3.39Å; G309-R314 VanDerWaalsContact O-NH2 3.12Å; L311-R314 WeakPolarHBondContact O-CB 3.24Å; L311-R314 PolarHBondContact O-N 3.43Å; L311-R314 VanDerWaalsContact O-N 3.12Å; R314-L318 HydrophobicContact CG-CB 3.53Å; R314-L318 HydrophobicContact CG-CD1 4.07Å; R314-L318 HydrophobicContact CG-CG 4.47Å; R314-L319 HydrophobicContact CB-CD2 4.07Å; R314-L319 HydrophobicContact CB-CG 4.1Å; R314-L319 HydrophobicContact CG-CD2 4.07Å; R314-L319 HydrophobicContact CG-CG 3.95Å; R314-Y331 WeakPolarHBondContact O-CE1 2.88Å | ||
| 315 | C | 95.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | trans | -69.8 | 155.1 | 176.9 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | E317 L318 L319 Y331 | C315-E317 VanDerWaalsContact C-N 3.32Å; C315-E317 WeakPolarHBondContact CB-OE1 3.26Å; C315-E317 WeakPolarHBondContact CB-OE2 3.43Å; C315-E317 PolarHBondContact O-N 3.12Å; C315-E317 PolarHBondContact SG-OE1 3.16Å; C315-L318 PolarHBondContact O-N 3.31Å; C315-L318 VanDerWaalsContact SG-CB 3.54Å; C315-L318 WeakPolarHBondContact SG-CG 3.33Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.26Å; C315-L319 VanDerWaalsContact O-N 3.08Å; C315-Y331 HydrophobicContact CB-CD1 3.86Å; C315-Y331 HydrophobicContact CB-CD2 3.91Å; C315-Y331 HydrophobicContact CB-CG 3.51Å | ||
| 316 | P | 96 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -40.4 | -178.2 | -24.8 | 32 | 0 | 0 | 0 | 114 | L319 R320 Y331 V359 E390 | P316-L319 PolarHBondContact O-N 3.11Å; P316-R320 VanDerWaalsContact CB-NH1 3.31Å; P316-R320 VanDerWaalsContact O-CG 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.49Å; P316-R320 PolarHBondContact O-N 2.87Å; P316-Y331 HydrophobicContact CG-CE2 4.18Å; P316-V359 HydrophobicContact CB-CG1 4.4Å; P316-V359 HydrophobicContact CG-CG1 3.87Å; P316-E390 WeakPolarHBondContact CB-OE1 3.41Å; P316-E390 WeakPolarHBondContact CG-OE2 3.46Å |
| 317 | E | 94.6 | Very high | 88.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | -179.4 | 67.3 | -80.3 | -171.6 | 0 | 0 | 113 | C315 L319 R320 G321 Q322 R395 | C315-E317 VanDerWaalsContact C-N 3.32Å; C315-E317 WeakPolarHBondContact CB-OE1 3.26Å; C315-E317 WeakPolarHBondContact CB-OE2 3.43Å; C315-E317 PolarHBondContact O-N 3.12Å; C315-E317 PolarHBondContact SG-OE1 3.16Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.15Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.76Å; E317-R320 VanDerWaalsContact O-N 3.17Å; E317-G321 PolarHBondContact O-N 2.67Å; E317-Q322 HydrophobicContact CB-CB 4.2Å; E317-Q322 HydrophobicContact CB-CG 4.37Å; E317-Q322 VanDerWaalsContact O-CB 3.28Å; E317-Q322 WeakPolarHBondContact O-CB 3.21Å; E317-Q322 WeakPolarHBondContact O-CG 3.38Å; E317-Q322 PolarHBondContact O-N 3.15Å; E317-R395 IonicContact OE1-CZ 3.88Å; E317-R395 IonicContact OE1-NH1 2.84Å; E317-R395 PolarHBondContact OE1-NH1 3.44Å; E317-R395 IonicContact OE1-NH2 2.8Å; E317-R395 IonicContact OE2-CZ 3.18Å; E317-R395 IonicContact OE2-NH1 2.81Å; E317-R395 PolarHBondContact OE2-NH1 2.9Å; E317-R395 IonicContact OE2-NH2 2.98Å; E317-R395 PolarHBondContact OE2-NH2 2.74Å |
| 318 | L | 92.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 174.2 | -79.1 | -172.4 | 0 | 0 | 0 | 111.5 | L264 I307 R314 C315 R320 G321 Q322 P324 A328 | L264-L318 HydrophobicContact CD2-CD1 4.42Å; I307-L318 HydrophobicContact CD1-CD2 3.7Å; I307-L318 HydrophobicContact CG2-CD2 4.31Å; R314-L318 HydrophobicContact CG-CB 3.53Å; R314-L318 HydrophobicContact CG-CD1 4.07Å; R314-L318 HydrophobicContact CG-CG 4.47Å; C315-L318 PolarHBondContact O-N 3.31Å; C315-L318 VanDerWaalsContact SG-CB 3.54Å; C315-L318 WeakPolarHBondContact SG-CG 3.33Å; L318-R320 PolarHBondContact O-N 2.83Å; L318-G321 PolarHBondContact O-N 3.09Å; L318-Q322 VanDerWaalsContact CD2-O 3.3Å; L318-Q322 WeakPolarHBondContact CD2-O 3.43Å; L318-P324 HydrophobicContact CD2-CB 3.86Å; L318-A328 HydrophobicContact CD1-CB 3.52Å; L318-A328 HydrophobicContact CG-CB 4.14Å |
| 319 | L | 92.9 | Very high | 92.1 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -26.3 | 173.9 | -70 | 173.4 | 0 | 0 | 0 | 112.9 | L311 R314 C315 P316 E317 G321 V356 V359 V360 | L311-L319 HydrophobicContact CD2-CD2 4.21Å; R314-L319 HydrophobicContact CB-CD2 4.07Å; R314-L319 HydrophobicContact CB-CG 4.1Å; R314-L319 HydrophobicContact CG-CD2 4.07Å; R314-L319 HydrophobicContact CG-CG 3.95Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.26Å; C315-L319 VanDerWaalsContact O-N 3.08Å; P316-L319 PolarHBondContact O-N 3.11Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.15Å; L319-G321 PolarHBondContact O-N 3.09Å; L319-V356 HydrophobicContact CB-CG1 4.33Å; L319-V356 HydrophobicContact CD1-CG1 4.35Å; L319-V356 HydrophobicContact CD1-CG2 4.37Å; L319-V356 HydrophobicContact CD2-CB 4.29Å; L319-V356 HydrophobicContact CD2-CG1 3.9Å; L319-V356 HydrophobicContact CD2-CG2 3.59Å; L319-V356 HydrophobicContact CG-CG1 4.44Å; L319-V359 HydrophobicContact CD1-CB 4.26Å; L319-V359 HydrophobicContact CD1-CG1 3.94Å; L319-V360 HydrophobicContact CB-CG2 3.49Å; L319-V360 VanDerWaalsContact CB-CG2 3.49Å; L319-V360 HydrophobicContact CD1-CG2 4.03Å; L319-V360 HydrophobicContact CG-CG2 4.42Å |
| 320 | R | 92.1 | Very high | 93.6 | Very high | 110 Ų | 110 | 34.6 Ų | 34.6 | 42% | 0.415 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.2 | 170.5 | -67.7 | 170.3 | -171.4 | 118 | 7.5 | 113.3 | P316 E317 L318 Q322 V360 E390 | P316-R320 VanDerWaalsContact CB-NH1 3.31Å; P316-R320 VanDerWaalsContact O-CG 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.49Å; P316-R320 PolarHBondContact O-N 2.87Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.76Å; E317-R320 VanDerWaalsContact O-N 3.17Å; L318-R320 PolarHBondContact O-N 2.83Å; R320-Q322 HydrophobicContact CB-CG 4.46Å; R320-V360 HydrophobicContact CG-CG1 3.78Å; R320-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 PolarHBondContact NH2-O 2.82Å; R320-E390 IonicContact CZ-OE1 3.32Å; R320-E390 VanDerWaalsContact CZ-OE1 3.32Å; R320-E390 IonicContact NH1-OE1 2.97Å; R320-E390 PolarHBondContact NH1-OE1 2.85Å; R320-E390 IonicContact NH2-OE1 2.7Å; R320-E390 PolarHBondContact NH2-OE1 2.95Å |
| 321 | G | 89 | Confident | 94.3 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 53% | 0.526 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 17.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E317 L318 L319 | E317-G321 PolarHBondContact O-N 2.67Å; L318-G321 PolarHBondContact O-N 3.09Å; L319-G321 PolarHBondContact O-N 3.09Å |
| 322 | Q | 90.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 30.2 Ų | 30.2 | 48% | 0.477 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 156.4 | 173.4 | -59.9 | -174.1 | 7.3 | 0 | 0 | 110.9 | I307 E317 L318 R320 | I307-Q322 WeakPolarHBondContact CD1-O 3.49Å; E317-Q322 HydrophobicContact CB-CB 4.2Å; E317-Q322 HydrophobicContact CB-CG 4.37Å; E317-Q322 VanDerWaalsContact O-CB 3.28Å; E317-Q322 WeakPolarHBondContact O-CB 3.21Å; E317-Q322 WeakPolarHBondContact O-CG 3.38Å; E317-Q322 PolarHBondContact O-N 3.15Å; L318-Q322 VanDerWaalsContact CD2-O 3.3Å; L318-Q322 WeakPolarHBondContact CD2-O 3.43Å; R320-Q322 HydrophobicContact CB-CG 4.46Å |
| 323 | P | 90.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 28.7 Ų | 28.7 | 45% | 0.448 | 16% | 0.155 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 143.9 | 176.1 | -25.1 | 35.4 | 0 | 0 | 0 | 113 | F297 | F297-P323 HydrophobicContact CB-CB 3.85Å; F297-P323 HydrophobicContact CD1-CB 3.8Å; F297-P323 HydrophobicContact CD1-CG 4.45Å; F297-P323 HydrophobicContact CG-CB 3.99Å |
| 324 | P | 91.7 | Very high | 95 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 139.7 | 175.4 | 25.1 | -31.3 | 0 | 0 | 0 | 112.2 | L262 L264 M289 F297 L318 | L262-P324 HydrophobicContact CD1-CB 3.9Å; L262-P324 HydrophobicContact CD1-CG 4.46Å; L264-P324 HydrophobicContact CD1-CB 4.06Å; L264-P324 HydrophobicContact CD1-CG 4.27Å; L264-P324 HydrophobicContact CD2-CB 3.69Å; M289-P324 HydrophobicContact CE-CG 4.36Å; M289-P324 HydrophobicContact SD-CG 3.49Å; M289-P324 WeakPolarHBondContact SD-CG 3.22Å; F297-P324 HydrophobicContact CE2-CG 4.26Å; F297-P324 HydrophobicContact CZ-CG 4.33Å; L318-P324 HydrophobicContact CD2-CB 3.86Å |
| 325 | T | 94.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 26.9 Ų | 26.9 | 35% | 0.35 | 15% | 0.148 | S | C | . | . | trans | -125.7 | 172.5 | 170.1 | 71 | 0 | 0 | 0 | 0 | 109.9 | K327 A328 | T325-K327 PolarHBondContact O-N 3.42Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 WeakPolarHBondContact OG1-CB 3.49Å; T325-K327 PolarHBondContact OG1-N 3.31Å; T325-A328 VanDerWaalsContact O-CB 3.32Å; T325-A328 WeakPolarHBondContact O-CB 3.17Å; T325-A328 PolarHBondContact O-N 2.97Å; T325-A328 VanDerWaalsContact O-N 3.07Å | ||
| 326 | M | 96 | Very high | 95.3 | Very high | 67 Ų | 67 | 26.8 Ų | 26.8 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -54.4 | -29.7 | 171.3 | -70.8 | -178.8 | -178.9 | 0 | 0 | 112.6 | H257 L262 I291 A328 D329 V330 | H257-M326 HydrophobicContact CB-CE 3.98Å; H257-M326 HydrophobicContact CB-CG 4.31Å; H257-M326 HydrophobicContact CB-SD 3.86Å; H257-M326 PolarHBondContact CE1-O 2.82Å; H257-M326 WeakPolarHBondContact O-CE 3.26Å; L262-M326 HydrophobicContact CD2-CB 4.15Å; L262-M326 HydrophobicContact CD2-CG 3.6Å; I291-M326 HydrophobicContact CD1-CE 3.52Å; I291-M326 HydrophobicContact CD1-CG 3.9Å; I291-M326 HydrophobicContact CD1-SD 4.49Å; M326-A328 PolarHBondContact O-N 3.37Å; M326-D329 PolarHBondContact O-N 2.96Å; M326-V330 PolarHBondContact O-N 3.15Å |
| 327 | K | 97.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.2 | -16.8 | -179.4 | -55.2 | -64 | -165.4 | 166 | 0 | 113.5 | T325 Y331 A392 R395 | T325-K327 PolarHBondContact O-N 3.42Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 WeakPolarHBondContact OG1-CB 3.49Å; T325-K327 PolarHBondContact OG1-N 3.31Å; K327-Y331 PolarHBondContact O-N 2.92Å; K327-Y331 VanDerWaalsContact O-N 3.16Å; K327-A392 HydrophobicContact CB-CB 3.96Å; K327-A392 WeakPolarHBondContact CD-O 3.34Å; K327-A392 WeakPolarHBondContact CE-O 3.5Å; K327-A392 HydrophobicContact CG-CB 4.31Å; K327-A392 VanDerWaalsContact CG-O 3.26Å; K327-A392 WeakPolarHBondContact CG-O 3.43Å; K327-R395 HydrophobicContact CD-CB 4.31Å; K327-R395 PolarHBondContact NZ-O 2.88Å; K327-R395 PolarHBondContact O-NH1 3.47Å |
| 328 | A | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L264 L318 T325 M326 V330 Y331 S332 | L264-A328 HydrophobicContact CD2-CB 4.25Å; L318-A328 HydrophobicContact CD1-CB 3.52Å; L318-A328 HydrophobicContact CG-CB 4.14Å; T325-A328 VanDerWaalsContact O-CB 3.32Å; T325-A328 WeakPolarHBondContact O-CB 3.17Å; T325-A328 PolarHBondContact O-N 2.97Å; T325-A328 VanDerWaalsContact O-N 3.07Å; M326-A328 PolarHBondContact O-N 3.37Å; A328-V330 VanDerWaalsContact C-N 3.26Å; A328-V330 PolarHBondContact O-N 3.37Å; A328-Y331 PolarHBondContact O-N 3.29Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 VanDerWaalsContact O-N 3.12Å; A328-S332 PolarHBondContact O-OG 3.32Å |
| 329 | D | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -34.9 | 176.7 | -71.1 | -26.1 | 0 | 0 | 0 | 111.5 | H257 L262 H263 L264 V266 M326 S332 F333 F398 | H257-D329 IonicContact CD2-OD2 2.72Å; H257-D329 IonicContact CE1-OD2 2.66Å; H257-D329 IonicContact NE2-OD2 3.54Å; H257-D329 PolarHBondContact NE2-OD2 2.85Å; L262-D329 WeakPolarHBondContact CA-OD2 3.35Å; H263-D329 PolarHBondContact N-OD1 3.31Å; H263-D329 PolarHBondContact N-OD2 3.28Å; L264-D329 WeakPolarHBondContact CA-OD1 3.08Å; L264-D329 PolarHBondContact N-OD1 2.84Å; V266-D329 HydrophobicContact CG2-CB 4.21Å; M326-D329 PolarHBondContact O-N 2.96Å; D329-S332 PolarHBondContact O-N 3.43Å; D329-F333 WeakPolarHBondContact O-CB 3.44Å; D329-F333 PolarHBondContact O-N 3.43Å; D329-F398 HydrophobicContact CB-CE2 3.95Å; D329-F398 HydrophobicContact CB-CZ 4.33Å |
| 330 | V | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 111 | M326 A328 S332 F333 G334 C387 R395 P396 F398 I401 | M326-V330 PolarHBondContact O-N 3.15Å; A328-V330 VanDerWaalsContact C-N 3.26Å; A328-V330 PolarHBondContact O-N 3.37Å; V330-S332 PolarHBondContact O-N 2.81Å; V330-F333 WeakPolarHBondContact O-CB 3.5Å; V330-F333 PolarHBondContact O-N 3.29Å; V330-G334 PolarHBondContact O-N 2.72Å; V330-C387 HydrophobicContact CG1-CB 3.93Å; V330-C387 WeakPolarHBondContact O-CB 3.36Å; V330-R395 HydrophobicContact CG1-CB 3.88Å; V330-P396 WeakPolarHBondContact CG1-O 3.44Å; V330-P396 WeakPolarHBondContact CG2-O 3.43Å; V330-F398 HydrophobicContact CG2-CD2 4.12Å; V330-F398 HydrophobicContact CG2-CE2 3.72Å; V330-F398 HydrophobicContact CG2-CZ 4.04Å; V330-I401 HydrophobicContact CG1-CD1 4.03Å |
| 331 | Y | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.9 | -177.1 | -79.7 | 0 | 0 | 0 | 111.5 | Y313 R314 C315 P316 K327 A328 F333 G334 I335 C387 W388 | Y313-Y331 WeakPolarHBondContact O-CD1 3.22Å; R314-Y331 WeakPolarHBondContact O-CE1 2.88Å; C315-Y331 HydrophobicContact CB-CD1 3.86Å; C315-Y331 HydrophobicContact CB-CD2 3.91Å; C315-Y331 HydrophobicContact CB-CG 3.51Å; P316-Y331 HydrophobicContact CG-CE2 4.18Å; K327-Y331 PolarHBondContact O-N 2.92Å; K327-Y331 VanDerWaalsContact O-N 3.16Å; A328-Y331 PolarHBondContact O-N 3.29Å; Y331-F333 PolarHBondContact O-N 2.66Å; Y331-G334 WeakPolarHBondContact O-CA 3.49Å; Y331-G334 PolarHBondContact O-N 3.38Å; Y331-I335 HydrophobicContact CD1-CG1 4.15Å; Y331-I335 HydrophobicContact CE1-CD1 4.02Å; Y331-I335 HydrophobicContact CE1-CG1 3.8Å; Y331-I335 PolarHBondContact O-N 2.86Å; Y331-C387 VanDerWaalsContact CA-O 3.3Å; Y331-C387 WeakPolarHBondContact CA-O 3.46Å; Y331-W388 HydrophobicContact CD2-CB 3.73Å; Y331-W388 HydrophobicContact CE2-CB 3.63Å; Y331-W388 HydrophobicContact CG-CB 4.37Å |
| 332 | S | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 5% | 0.049 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -35 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | Y313 A328 D329 V330 I335 L336 | Y313-S332 WeakPolarHBondContact O-CA 3.14Å; Y313-S332 WeakPolarHBondContact O-CB 3.47Å; Y313-S332 PolarHBondContact O-OG 2.91Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 VanDerWaalsContact O-N 3.12Å; A328-S332 PolarHBondContact O-OG 3.32Å; D329-S332 PolarHBondContact O-N 3.43Å; V330-S332 PolarHBondContact O-N 2.81Å; S332-I335 PolarHBondContact O-N 3.21Å; S332-L336 PolarHBondContact O-N 3.27Å |
| 333 | F | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 172.3 | -179 | -108 | 0 | 0 | 0 | 112.7 | C246 I249 A250 L253 D329 V330 Y331 I335 L336 I337 F398 I401 L405 | C246-F333 HydrophobicContact CB-CZ 4.27Å; C246-F333 WeakPolarHBondContact O-CZ 3.44Å; I249-F333 HydrophobicContact CB-CE2 3.98Å; I249-F333 HydrophobicContact CG2-CD2 3.86Å; I249-F333 HydrophobicContact CG2-CE2 3.77Å; A250-F333 HydrophobicContact CB-CE1 4.3Å; A250-F333 HydrophobicContact CB-CE2 4.36Å; A250-F333 HydrophobicContact CB-CZ 3.83Å; L253-F333 HydrophobicContact CD1-CB 4.38Å; L253-F333 HydrophobicContact CD1-CD2 4.1Å; L253-F333 HydrophobicContact CD1-CG 4.48Å; D329-F333 WeakPolarHBondContact O-CB 3.44Å; D329-F333 PolarHBondContact O-N 3.43Å; V330-F333 WeakPolarHBondContact O-CB 3.5Å; V330-F333 PolarHBondContact O-N 3.29Å; Y331-F333 PolarHBondContact O-N 2.66Å; F333-I335 VanDerWaalsContact C-N 3.35Å; F333-I335 PolarHBondContact O-N 3.23Å; F333-L336 HydrophobicContact CD2-CD2 4.47Å; F333-L336 HydrophobicContact CE2-CD2 4.44Å; F333-L336 WeakPolarHBondContact O-CB 3.45Å; F333-L336 PolarHBondContact O-N 2.96Å; F333-L336 VanDerWaalsContact O-N 3.16Å; F333-I337 HydrophobicContact CD1-CD1 3.93Å; F333-I337 HydrophobicContact CD1-CG1 4.28Å; F333-I337 HydrophobicContact CE1-CD1 3.5Å; F333-I337 VanDerWaalsContact CE1-CD1 3.5Å; F333-I337 HydrophobicContact CE1-CG1 3.93Å; F333-I337 HydrophobicContact CE2-CG1 4.43Å; F333-I337 HydrophobicContact CZ-CD1 4Å; F333-I337 HydrophobicContact CZ-CG1 3.99Å; F333-I337 WeakPolarHBondContact O-CG1 3.33Å; F333-I337 PolarHBondContact O-N 2.99Å; F333-F398 HydrophobicContact CB-CE1 3.83Å; F333-F398 HydrophobicContact CB-CZ 3.83Å; F333-F398 AromaticContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD2-CE1 4.17Å; F333-F398 HydrophobicContact CE1-CE1 4.3Å; F333-F398 AromaticContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CZ 4.17Å; F333-I401 HydrophobicContact CD1-CD1 4.19Å; F333-I401 HydrophobicContact CD1-CG2 4.35Å; F333-I401 HydrophobicContact CE1-CD1 4.42Å; F333-I401 HydrophobicContact CE1-CG2 3.56Å; F333-I401 HydrophobicContact CZ-CG2 4.33Å; F333-L405 HydrophobicContact CZ-CD1 4.49Å |
| 334 | G | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V330 Y331 L336 I337 W338 | V330-G334 PolarHBondContact O-N 2.72Å; Y331-G334 WeakPolarHBondContact O-CA 3.49Å; Y331-G334 PolarHBondContact O-N 3.38Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.31Å; G334-I337 PolarHBondContact O-N 3.11Å; G334-W338 PolarHBondContact O-N 3.23Å; G334-W338 VanDerWaalsContact O-N 3.1Å |
| 335 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 174.6 | -54.3 | -65.8 | 0 | 0 | 0 | 111.1 | Y313 Y331 S332 F333 W338 E339 P346 F347 P366 W388 | Y313-I335 HydrophobicContact CD1-CB 3.85Å; Y313-I335 HydrophobicContact CD1-CG2 3.52Å; Y313-I335 HydrophobicContact CE1-CB 4.36Å; Y313-I335 HydrophobicContact CE1-CG2 3.71Å; Y313-I335 HydrophobicContact CG-CG2 4.26Å; Y331-I335 HydrophobicContact CD1-CG1 4.15Å; Y331-I335 HydrophobicContact CE1-CD1 4.02Å; Y331-I335 HydrophobicContact CE1-CG1 3.8Å; Y331-I335 PolarHBondContact O-N 2.86Å; S332-I335 PolarHBondContact O-N 3.21Å; F333-I335 VanDerWaalsContact C-N 3.35Å; F333-I335 PolarHBondContact O-N 3.23Å; I335-W338 PolarHBondContact O-N 3.44Å; I335-E339 PolarHBondContact O-N 3.48Å; I335-P346 HydrophobicContact CG2-CB 3.8Å; I335-P346 HydrophobicContact CG2-CG 3.72Å; I335-F347 HydrophobicContact CD1-CE2 4.31Å; I335-F347 HydrophobicContact CD1-CZ 4.19Å; I335-P366 HydrophobicContact CD1-CG 3.6Å; I335-W388 HydrophobicContact CD1-CE3 3.67Å; I335-W388 HydrophobicContact CD1-CZ3 4.1Å; I335-W388 HydrophobicContact CG1-CE3 4.48Å |
| 336 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175 | -177.4 | 156.1 | 0 | 0 | 0 | 112 | I249 V266 T268 V271 S332 F333 G334 W338 E339 C340 | I249-L336 HydrophobicContact CD1-CD1 4.21Å; I249-L336 HydrophobicContact CD1-CD2 3.78Å; I249-L336 HydrophobicContact CG2-CD1 4.48Å; V266-L336 HydrophobicContact CG1-CD1 3.95Å; T268-L336 HydrophobicContact CG2-CD1 4.44Å; T268-L336 HydrophobicContact CG2-CG 3.84Å; V271-L336 HydrophobicContact CG2-CD1 4.11Å; S332-L336 PolarHBondContact O-N 3.27Å; F333-L336 HydrophobicContact CD2-CD2 4.47Å; F333-L336 HydrophobicContact CE2-CD2 4.44Å; F333-L336 WeakPolarHBondContact O-CB 3.45Å; F333-L336 PolarHBondContact O-N 2.96Å; F333-L336 VanDerWaalsContact O-N 3.16Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.31Å; L336-W338 VanDerWaalsContact C-N 3.31Å; L336-W338 PolarHBondContact O-N 2.91Å; L336-E339 PolarHBondContact O-N 3.17Å; L336-C340 PolarHBondContact O-N 3.22Å; L336-C340 PolarHBondContact O-SG 3.46Å; L336-C340 VanDerWaalsContact O-SG 3.34Å |
| 337 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 176.4 | -65.6 | 173.6 | 0 | 0 | 0 | 110.2 | F333 G334 E339 C340 V341 L380 I383 A384 | F333-I337 HydrophobicContact CD1-CD1 3.93Å; F333-I337 HydrophobicContact CD1-CG1 4.28Å; F333-I337 HydrophobicContact CE1-CD1 3.5Å; F333-I337 VanDerWaalsContact CE1-CD1 3.5Å; F333-I337 HydrophobicContact CE1-CG1 3.93Å; F333-I337 HydrophobicContact CE2-CG1 4.43Å; F333-I337 HydrophobicContact CZ-CD1 4Å; F333-I337 HydrophobicContact CZ-CG1 3.99Å; F333-I337 WeakPolarHBondContact O-CG1 3.33Å; F333-I337 PolarHBondContact O-N 2.99Å; G334-I337 PolarHBondContact O-N 3.11Å; I337-E339 VanDerWaalsContact C-N 3.3Å; I337-E339 PolarHBondContact O-N 2.95Å; I337-C340 WeakPolarHBondContact O-CB 3.41Å; I337-C340 PolarHBondContact O-N 3.19Å; I337-C340 VanDerWaalsContact O-N 3.13Å; I337-V341 HydrophobicContact CG2-CG2 4.4Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.46Å; I337-L380 HydrophobicContact CG2-CB 3.75Å; I337-L380 HydrophobicContact CG2-CD2 4.44Å; I337-L380 WeakPolarHBondContact CG2-O 3.34Å; I337-I383 HydrophobicContact CD1-CB 4.45Å; I337-I383 HydrophobicContact CD1-CG2 3.99Å; I337-A384 HydrophobicContact CB-CB 3.9Å; I337-A384 HydrophobicContact CD1-CB 4.22Å; I337-A384 HydrophobicContact CG2-CB 3.9Å |
| 338 | W | 97.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 5% | 0.045 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 178.4 | -177.5 | 92.8 | 0 | 0 | 0 | 111.6 | G334 I335 L336 C340 V341 Y342 Q344 P346 P366 V367 W388 | G334-W338 PolarHBondContact O-N 3.23Å; G334-W338 VanDerWaalsContact O-N 3.1Å; I335-W338 PolarHBondContact O-N 3.44Å; L336-W338 VanDerWaalsContact C-N 3.31Å; L336-W338 PolarHBondContact O-N 2.91Å; W338-C340 VanDerWaalsContact C-N 3.33Å; W338-C340 PolarHBondContact O-N 3.37Å; W338-V341 PolarHBondContact O-N 3.02Å; W338-Y342 AromaticContact CD1-CD2 3.5Å; W338-Y342 VanDerWaalsContact CD1-CD2 3.5Å; W338-Y342 AromaticContact CD1-CE2 3.56Å; W338-Y342 AromaticContact CD2-CD2 3.8Å; W338-Y342 HydrophobicContact CD2-CD2 3.8Å; W338-Y342 AromaticContact CE2-CD2 3.33Å; W338-Y342 AromaticContact CE2-CE2 3.91Å; W338-Y342 AromaticContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CE2 4.39Å; W338-Y342 AromaticContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CG 4.07Å; W338-Y342 AromaticContact NE1-CD2 3.16Å; W338-Y342 AromaticContact NE1-CE2 3.25Å; W338-Y342 VanDerWaalsContact NE1-CE2 3.25Å; W338-Y342 PolarHBondContact O-N 2.8Å; W338-Q344 HydrophobicContact CH2-CB 3.78Å; W338-Q344 HydrophobicContact CZ3-CB 4.05Å; W338-Q344 WeakPolarHBondContact CZ3-O 3.31Å; W338-P346 HydrophobicContact CE3-CB 4.49Å; W338-P346 HydrophobicContact CE3-CG 4.3Å; W338-P346 HydrophobicContact CZ3-CB 4.4Å; W338-P346 HydrophobicContact CZ3-CG 4.33Å; W338-P366 HydrophobicContact CB-CB 4.48Å; W338-P366 HydrophobicContact CD2-CB 3.5Å; W338-P366 VanDerWaalsContact CD2-CB 3.5Å; W338-P366 HydrophobicContact CD2-CG 4.32Å; W338-P366 VanDerWaalsContact CE2-CB 3.42Å; W338-P366 HydrophobicContact CE3-CB 4.19Å; W338-P366 HydrophobicContact CG-CB 3.6Å; W338-P366 HydrophobicContact CG-CG 4.28Å; W338-P366 HydrophobicContact CZ2-CB 4.08Å; W338-V367 PolarHBondContact NE1-O 3.42Å; W338-W388 HydrophobicContact CB-CH2 4.01Å; W338-W388 HydrophobicContact CB-CZ3 3.68Å; W338-W388 AromaticContact CD1-CH2 3.64Å; W338-W388 HydrophobicContact CG-CH2 4.02Å; W338-W388 HydrophobicContact CG-CZ3 4.07Å |
| 339 | E | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 175.9 | -173.8 | 172.9 | -159.6 | 0 | 0 | 112.1 | Q227 L230 R231 T268 Y313 I335 L336 I337 V341 Q343 P346 | Q227-E339 PolarHBondContact NE2-OE1 2.82Å; L230-E339 HydrophobicContact CD1-CG 4.23Å; R231-E339 IonicContact CZ-OE1 2.8Å; R231-E339 IonicContact NH2-OE1 2.67Å; R231-E339 PolarHBondContact NH2-OE1 3.42Å; T268-E339 WeakPolarHBondContact CB-OE2 3.36Å; T268-E339 HydrophobicContact CG2-CB 4.14Å; T268-E339 HydrophobicContact CG2-CG 3.95Å; T268-E339 WeakPolarHBondContact CG2-OE2 3.39Å; T268-E339 PolarHBondContact OG1-OE1 3.42Å; T268-E339 PolarHBondContact OG1-OE2 3.13Å; Y313-E339 PolarHBondContact OH-OE2 3.31Å; I335-E339 PolarHBondContact O-N 3.48Å; L336-E339 PolarHBondContact O-N 3.17Å; I337-E339 VanDerWaalsContact C-N 3.3Å; I337-E339 PolarHBondContact O-N 2.95Å; E339-V341 PolarHBondContact O-N 3.16Å; E339-Q343 VanDerWaalsContact O-CA 3.22Å; E339-Q343 WeakPolarHBondContact O-CA 3.4Å; E339-Q343 PolarHBondContact O-N 2.8Å; E339-P346 HydrophobicContact CB-CG 4.33Å |
| 340 | C | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 112.8 | K242 L336 I337 W338 | K242-C340 VanDerWaalsContact CD-O 3.26Å; K242-C340 WeakPolarHBondContact CD-O 3.35Å; K242-C340 WeakPolarHBondContact CE-O 3.49Å; K242-C340 PolarHBondContact NZ-O 3.25Å; L336-C340 PolarHBondContact O-N 3.22Å; L336-C340 PolarHBondContact O-SG 3.46Å; L336-C340 VanDerWaalsContact O-SG 3.34Å; I337-C340 WeakPolarHBondContact O-CB 3.41Å; I337-C340 PolarHBondContact O-N 3.19Å; I337-C340 VanDerWaalsContact O-N 3.13Å; W338-C340 VanDerWaalsContact C-N 3.33Å; W338-C340 PolarHBondContact O-N 3.37Å |
| 341 | V | 94.9 | Very high | 95 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.1 | -55.6 | -177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | K242 I337 W338 E339 I373 E377 L380 L381 | K242-V341 PolarHBondContact NZ-O 3.33Å; I337-V341 HydrophobicContact CG2-CG2 4.4Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.46Å; W338-V341 PolarHBondContact O-N 3.02Å; E339-V341 PolarHBondContact O-N 3.16Å; V341-I373 HydrophobicContact CG1-CG2 4.18Å; V341-E377 HydrophobicContact CG1-CB 3.87Å; V341-E377 HydrophobicContact CG1-CG 4.1Å; V341-E377 HydrophobicContact CG2-CB 4.32Å; V341-E377 HydrophobicContact CG2-CG 4.32Å; V341-L380 HydrophobicContact CG2-CB 4.09Å; V341-L380 HydrophobicContact CG2-CD1 4.24Å; V341-L381 HydrophobicContact CB-CD2 4.05Å; V341-L381 HydrophobicContact CB-CG 4.37Å; V341-L381 HydrophobicContact CG1-CD1 3.97Å; V341-L381 HydrophobicContact CG1-CD2 4.19Å; V341-L381 HydrophobicContact CG1-CG 4.1Å; V341-L381 HydrophobicContact CG2-CD2 4.09Å; V341-L381 HydrophobicContact CG2-CG 4.17Å |
| 342 | Y | 93.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 35 Ų | 35 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -83.2 | -17.4 | -173.8 | -73.4 | -71.9 | 0 | 0 | 0 | 114.3 | W338 Q344 I368 L369 I373 L381 | W338-Y342 AromaticContact CD1-CD2 3.5Å; W338-Y342 VanDerWaalsContact CD1-CD2 3.5Å; W338-Y342 AromaticContact CD1-CE2 3.56Å; W338-Y342 AromaticContact CD2-CD2 3.8Å; W338-Y342 HydrophobicContact CD2-CD2 3.8Å; W338-Y342 AromaticContact CE2-CD2 3.33Å; W338-Y342 AromaticContact CE2-CE2 3.91Å; W338-Y342 AromaticContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CE2 4.39Å; W338-Y342 AromaticContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CG 4.07Å; W338-Y342 AromaticContact NE1-CD2 3.16Å; W338-Y342 AromaticContact NE1-CE2 3.25Å; W338-Y342 VanDerWaalsContact NE1-CE2 3.25Å; W338-Y342 PolarHBondContact O-N 2.8Å; Y342-Q344 WeakPolarHBondContact O-CG 3.4Å; Y342-Q344 PolarHBondContact O-N 3.39Å; Y342-Q344 VanDerWaalsContact O-N 3.16Å; Y342-I368 HydrophobicContact CE2-CG1 4.35Å; Y342-I368 WeakPolarHBondContact OH-CA 3.38Å; Y342-L369 HydrophobicContact CE1-CB 4.23Å; Y342-L369 PolarHBondContact OH-N 3.19Å; Y342-L369 PolarHBondContact OH-O 3.22Å; Y342-I373 HydrophobicContact CE1-CG2 4.37Å; Y342-L381 HydrophobicContact CD2-CD2 4.4Å; Y342-L381 HydrophobicContact CE2-CD1 3.83Å; Y342-L381 HydrophobicContact CE2-CD2 3.85Å; Y342-L381 WeakPolarHBondContact OH-CD1 3.33Å |
| 343 | Q | 93 | Very high | 94 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | trans | 53.9 | 33.4 | -175.6 | -62.9 | 172.7 | 11.9 | 0 | 0 | 111.7 | L230 R231 K242 E339 | L230-Q343 HydrophobicContact CB-CG 4.28Å; L230-Q343 HydrophobicContact CD2-CG 3.71Å; R231-Q343 PolarHBondContact NH1-O 2.89Å; K242-Q343 VanDerWaalsContact CE-NE2 3.29Å; E339-Q343 VanDerWaalsContact O-CA 3.22Å; E339-Q343 WeakPolarHBondContact O-CA 3.4Å; E339-Q343 PolarHBondContact O-N 2.8Å | ||
| 344 | Q | 91.5 | Very high | 93.7 | Very high | 88 Ų | 88 | 44 Ų | 44 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -122.3 | 153.2 | -175.6 | -79.3 | 177.7 | 8.3 | 0 | 0 | 111 | R231 W338 Y342 | R231-Q344 VanDerWaalsContact CZ-C 3.4Å; R231-Q344 PolarHBondContact NH2-O 3.45Å; W338-Q344 HydrophobicContact CH2-CB 3.78Å; W338-Q344 HydrophobicContact CZ3-CB 4.05Å; W338-Q344 WeakPolarHBondContact CZ3-O 3.31Å; Y342-Q344 WeakPolarHBondContact O-CG 3.4Å; Y342-Q344 PolarHBondContact O-N 3.39Å; Y342-Q344 VanDerWaalsContact O-N 3.16Å |
| 345 | V | 92.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.345 | 25% | 0.245 | S | C | . | . | trans | -71.2 | 127.6 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | R231 F347 E348 | R231-V345 VanDerWaalsContact NH1-N 3.18Å; V345-F347 PolarHBondContact O-N 3.39Å; V345-E348 HydrophobicContact CB-CB 4.23Å; V345-E348 HydrophobicContact CB-CG 4.49Å; V345-E348 WeakPolarHBondContact O-CB 3.37Å; V345-E348 PolarHBondContact O-N 2.73Å | ||
| 346 | P | 93.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.8 | 177.4 | -24.3 | 33.9 | 0 | 0 | 0 | 110.9 | I312 Y313 I335 W338 E339 E348 | I312-P346 HydrophobicContact CD1-CB 4.43Å; Y313-P346 HydrophobicContact CE1-CG 4.39Å; I335-P346 HydrophobicContact CG2-CB 3.8Å; I335-P346 HydrophobicContact CG2-CG 3.72Å; W338-P346 HydrophobicContact CE3-CB 4.49Å; W338-P346 HydrophobicContact CE3-CG 4.3Å; W338-P346 HydrophobicContact CZ3-CB 4.4Å; W338-P346 HydrophobicContact CZ3-CG 4.33Å; E339-P346 HydrophobicContact CB-CG 4.33Å; P346-E348 VanDerWaalsContact C-N 3.28Å; P346-E348 PolarHBondContact O-N 3.06Å |
| 347 | F | 94 | Very high | 92.9 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 33.7 | -179.5 | -43.2 | -75.8 | 0 | 0 | 0 | 114.4 | I312 I335 V345 G349 L350 V355 V359 L364 P366 | I312-F347 HydrophobicContact CB-CD2 4.23Å; I312-F347 WeakPolarHBondContact O-CE2 3.36Å; I335-F347 HydrophobicContact CD1-CE2 4.31Å; I335-F347 HydrophobicContact CD1-CZ 4.19Å; V345-F347 PolarHBondContact O-N 3.39Å; F347-G349 PolarHBondContact O-N 3.2Å; F347-L350 HydrophobicContact CB-CD1 4.46Å; F347-L350 PolarHBondContact O-N 3.16Å; F347-V355 HydrophobicContact CB-CG1 4.31Å; F347-V355 HydrophobicContact CB-CG2 3.62Å; F347-V355 HydrophobicContact CD1-CG1 4.49Å; F347-V355 HydrophobicContact CD2-CG1 3.68Å; F347-V355 HydrophobicContact CD2-CG2 4.48Å; F347-V355 HydrophobicContact CE2-CG1 4.07Å; F347-V355 HydrophobicContact CG-CG1 3.91Å; F347-V355 HydrophobicContact CG-CG2 4.14Å; F347-V359 HydrophobicContact CZ-CG2 4.25Å; F347-L364 HydrophobicContact CD1-CD2 3.82Å; F347-L364 HydrophobicContact CD1-CG 4.15Å; F347-L364 HydrophobicContact CE1-CD2 4.09Å; F347-L364 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE2-CG 4.32Å; F347-P366 HydrophobicContact CZ-CG 3.71Å |
| 348 | E | 91.1 | Very high | 92.8 | Very high | 134 Ų | 134 | 53 Ų | 53 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 136.7 | 177 | -170.2 | 165.6 | -153.7 | 0 | 0 | 112.7 | V345 P346 L350 | V345-E348 HydrophobicContact CB-CB 4.23Å; V345-E348 HydrophobicContact CB-CG 4.49Å; V345-E348 WeakPolarHBondContact O-CB 3.37Å; V345-E348 PolarHBondContact O-N 2.73Å; P346-E348 VanDerWaalsContact C-N 3.28Å; P346-E348 PolarHBondContact O-N 3.06Å; E348-L350 VanDerWaalsContact C-N 3.34Å |
| 349 | G | 91.2 | Very high | 92.7 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 86% | 0.856 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -7.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F347 | F347-G349 PolarHBondContact O-N 3.2Š|
| 350 | L | 92 | Very high | 92.6 | Very high | 79 Ų | 79 | 54.4 Ų | 54.4 | 41% | 0.414 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -102.4 | 140.2 | 173.2 | -59.4 | 179.9 | 0 | 0 | 0 | 110.9 | F347 E348 T354 V355 L364 | F347-L350 HydrophobicContact CB-CD1 4.46Å; F347-L350 PolarHBondContact O-N 3.16Å; E348-L350 VanDerWaalsContact C-N 3.34Å; L350-T354 HydrophobicContact CD2-CG2 4.33Å; L350-V355 HydrophobicContact CB-CG2 3.7Å; L350-V355 HydrophobicContact CD1-CG2 4.35Å; L350-L364 HydrophobicContact CD1-CD2 3.88Å |
| 351 | D | 90.9 | Very high | 92.6 | Very high | 78 Ų | 78 | 57 Ų | 57 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | trans | -69.1 | 149.3 | 170.7 | 78 | 86.9 | 0 | 0 | 0 | 110.6 | H353 T354 V355 | D351-H353 PolarHBondContact O-N 3.31Å; D351-H353 VanDerWaalsContact O-N 3.14Å; D351-H353 WeakPolarHBondContact OD1-CA 3.3Å; D351-H353 WeakPolarHBondContact OD1-CB 3.48Å; D351-H353 PolarHBondContact OD1-N 3.05Å; D351-T354 PolarHBondContact O-N 3.2Å; D351-T354 VanDerWaalsContact O-N 3.09Å; D351-T354 PolarHBondContact OD1-N 3.35Å; D351-T354 WeakPolarHBondContact OD2-CB 3.25Å; D351-T354 PolarHBondContact OD2-OG1 3.17Å; D351-V355 WeakPolarHBondContact O-CG2 3.14Å; D351-V355 PolarHBondContact O-N 2.66Å | ||
| 352 | P | 87.8 | Confident | 92.6 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.2 | -33.3 | -176.4 | -28.3 | 35.6 | 0 | 0 | 0 | 114.7 | L311 V355 V356 | L311-P352 HydrophobicContact CD1-CB 4.22Å; P352-V355 PolarHBondContact O-N 3.18Å; P352-V356 WeakPolarHBondContact O-CG2 3.31Å; P352-V356 PolarHBondContact O-N 2.91Å |
| 353 | H | 88.7 | Confident | 92.6 | Very high | 145 Ų | 145 | 68 Ų | 68 | 67% | 0.671 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.9 | -37.7 | 179.5 | -63 | -73 | 0 | 0 | 0 | 111.5 | D351 V355 V356 F357 | D351-H353 PolarHBondContact O-N 3.31Å; D351-H353 VanDerWaalsContact O-N 3.14Å; D351-H353 WeakPolarHBondContact OD1-CA 3.3Å; D351-H353 WeakPolarHBondContact OD1-CB 3.48Å; D351-H353 PolarHBondContact OD1-N 3.05Å; H353-V355 VanDerWaalsContact C-N 3.32Å; H353-V356 WeakPolarHBondContact O-CB 3.4Å; H353-V356 PolarHBondContact O-N 2.72Å; H353-F357 PolarHBondContact O-N 3.35Å |
| 354 | T | 93.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 67.6 Ų | 67.6 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 169.5 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | L350 D351 V356 F357 C358 | L350-T354 HydrophobicContact CD2-CG2 4.33Å; D351-T354 PolarHBondContact O-N 3.2Å; D351-T354 VanDerWaalsContact O-N 3.09Å; D351-T354 PolarHBondContact OD1-N 3.35Å; D351-T354 WeakPolarHBondContact OD2-CB 3.25Å; D351-T354 PolarHBondContact OD2-OG1 3.17Å; T354-V356 PolarHBondContact O-N 3.05Å; T354-F357 PolarHBondContact O-N 2.81Å; T354-C358 VanDerWaalsContact O-CB 3.3Å; T354-C358 WeakPolarHBondContact O-CB 3.17Å; T354-C358 PolarHBondContact O-N 3.18Å; T354-C358 PolarHBondContact O-SG 2.82Å; T354-C358 VanDerWaalsContact O-SG 3.35Å |
| 355 | V | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | I312 F347 L350 D351 P352 H353 F357 C358 V359 | I312-V355 HydrophobicContact CG2-CB 4.46Å; I312-V355 HydrophobicContact CG2-CG1 4.24Å; I312-V355 HydrophobicContact CG2-CG2 4.45Å; F347-V355 HydrophobicContact CB-CG1 4.31Å; F347-V355 HydrophobicContact CB-CG2 3.62Å; F347-V355 HydrophobicContact CD1-CG1 4.49Å; F347-V355 HydrophobicContact CD2-CG1 3.68Å; F347-V355 HydrophobicContact CD2-CG2 4.48Å; F347-V355 HydrophobicContact CE2-CG1 4.07Å; F347-V355 HydrophobicContact CG-CG1 3.91Å; F347-V355 HydrophobicContact CG-CG2 4.14Å; L350-V355 HydrophobicContact CB-CG2 3.7Å; L350-V355 HydrophobicContact CD1-CG2 4.35Å; D351-V355 WeakPolarHBondContact O-CG2 3.14Å; D351-V355 PolarHBondContact O-N 2.66Å; P352-V355 PolarHBondContact O-N 3.18Å; H353-V355 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.21Å; V355-C358 PolarHBondContact O-N 3.15Å; V355-V359 HydrophobicContact CG1-CG2 3.93Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 VanDerWaalsContact O-CG2 3.23Å; V355-V359 WeakPolarHBondContact O-CG2 3.47Å; V355-V359 PolarHBondContact O-N 3.12Å |
| 356 | V | 91.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.8 | -50.2 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L311 L319 P352 H353 T354 V360 | L311-V356 HydrophobicContact CB-CG2 4.2Å; L311-V356 HydrophobicContact CD1-CG2 4.32Å; L311-V356 HydrophobicContact CD2-CG2 4.22Å; L311-V356 HydrophobicContact CG-CG2 4.49Å; L319-V356 HydrophobicContact CB-CG1 4.33Å; L319-V356 HydrophobicContact CD1-CG1 4.35Å; L319-V356 HydrophobicContact CD1-CG2 4.37Å; L319-V356 HydrophobicContact CD2-CB 4.29Å; L319-V356 HydrophobicContact CD2-CG1 3.9Å; L319-V356 HydrophobicContact CD2-CG2 3.59Å; L319-V356 HydrophobicContact CG-CG1 4.44Å; P352-V356 WeakPolarHBondContact O-CG2 3.31Å; P352-V356 PolarHBondContact O-N 2.91Å; H353-V356 WeakPolarHBondContact O-CB 3.4Å; H353-V356 PolarHBondContact O-N 2.72Å; T354-V356 PolarHBondContact O-N 3.05Å; V356-V360 WeakPolarHBondContact O-CB 3.37Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.93Å; V356-V360 VanDerWaalsContact O-N 3.08Å |
| 357 | F | 93.9 | Very high | 93 | Very high | 128 Ų | 128 | 67.6 Ų | 67.6 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.7 | -48.1 | 178.6 | 177.2 | -96.8 | 0 | 0 | 0 | 111.8 | H353 T354 V355 V360 A361 | H353-F357 PolarHBondContact O-N 3.35Å; T354-F357 PolarHBondContact O-N 2.81Å; V355-F357 PolarHBondContact O-N 3.21Å; F357-V360 PolarHBondContact O-N 2.83Å; F357-A361 HydrophobicContact CD2-CB 4.26Å; F357-A361 HydrophobicContact CE1-CB 4.29Å; F357-A361 HydrophobicContact CE2-CB 3.96Å; F357-A361 HydrophobicContact CZ-CB 3.98Å; F357-A361 WeakPolarHBondContact O-CA 3.35Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.12Å |
| 358 | C | 95.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -38.5 | -177.2 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | T354 V355 K362 Q363 L364 | T354-C358 VanDerWaalsContact O-CB 3.3Å; T354-C358 WeakPolarHBondContact O-CB 3.17Å; T354-C358 PolarHBondContact O-N 3.18Å; T354-C358 PolarHBondContact O-SG 2.82Å; T354-C358 VanDerWaalsContact O-SG 3.35Å; V355-C358 PolarHBondContact O-N 3.15Å; C358-K362 CarbonylContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-CA 3.25Å; C358-K362 WeakPolarHBondContact O-CA 3.43Å; C358-K362 VanDerWaalsContact O-CB 3.27Å; C358-K362 WeakPolarHBondContact O-CB 3.4Å; C358-K362 PolarHBondContact O-N 2.96Å; C358-Q363 PolarHBondContact O-N 3.29Å; C358-Q363 VanDerWaalsContact O-N 3.12Å; C358-L364 HydrophobicContact CB-CB 3.81Å; C358-L364 HydrophobicContact CB-CD2 3.57Å; C358-L364 HydrophobicContact CB-CG 4.3Å; C358-L364 WeakPolarHBondContact O-CB 3.37Å; C358-L364 PolarHBondContact O-N 3.4Å |
| 359 | V | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 174.9 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | P316 L319 F347 V355 Q363 L364 | P316-V359 HydrophobicContact CB-CG1 4.4Å; P316-V359 HydrophobicContact CG-CG1 3.87Å; L319-V359 HydrophobicContact CD1-CB 4.26Å; L319-V359 HydrophobicContact CD1-CG1 3.94Å; F347-V359 HydrophobicContact CZ-CG2 4.25Å; V355-V359 HydrophobicContact CG1-CG2 3.93Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 VanDerWaalsContact O-CG2 3.23Å; V355-V359 WeakPolarHBondContact O-CG2 3.47Å; V355-V359 PolarHBondContact O-N 3.12Å; V359-Q363 WeakPolarHBondContact O-CA 3.5Å; V359-Q363 PolarHBondContact O-N 3.34Å; V359-L364 HydrophobicContact CG2-CB 4.42Å |
| 360 | V | 94.2 | Very high | 92.1 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76 | -43.5 | -175.5 | 171.7 | 0 | 0 | 0 | 0 | 113.1 | L319 R320 V356 F357 | L319-V360 HydrophobicContact CB-CG2 3.49Å; L319-V360 VanDerWaalsContact CB-CG2 3.49Å; L319-V360 HydrophobicContact CD1-CG2 4.03Å; L319-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 HydrophobicContact CG-CG1 3.78Å; R320-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 PolarHBondContact NH2-O 2.82Å; V356-V360 WeakPolarHBondContact O-CB 3.37Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.93Å; V356-V360 VanDerWaalsContact O-N 3.08Å; F357-V360 PolarHBondContact O-N 2.83Å |
| 361 | A | 94.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -98.8 | -24.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F357 | F357-A361 HydrophobicContact CD2-CB 4.26Å; F357-A361 HydrophobicContact CE1-CB 4.29Å; F357-A361 HydrophobicContact CE2-CB 3.96Å; F357-A361 HydrophobicContact CZ-CB 3.98Å; F357-A361 WeakPolarHBondContact O-CA 3.35Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.12Å |
| 362 | K | 94.7 | Very high | 90.7 | Very high | 151 Ų | 151 | 74 Ų | 74 | 66% | 0.657 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -117.2 | 2.4 | -178 | -56 | -62.9 | -177.1 | -175.4 | 0 | 113.4 | C358 L364 | C358-K362 CarbonylContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-CA 3.25Å; C358-K362 WeakPolarHBondContact O-CA 3.43Å; C358-K362 VanDerWaalsContact O-CB 3.27Å; C358-K362 WeakPolarHBondContact O-CB 3.4Å; C358-K362 PolarHBondContact O-N 2.96Å; K362-L364 PolarHBondContact O-N 3.34Å |
| 363 | Q | 94.8 | Very high | 90.7 | Very high | 125 Ų | 125 | 72.4 Ų | 72.4 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | trans | 52.6 | 36.5 | -175.1 | -57 | 179.5 | 18.6 | 0 | 0 | 111.9 | C358 V359 R365 E390 | C358-Q363 PolarHBondContact O-N 3.29Å; C358-Q363 VanDerWaalsContact O-N 3.12Å; V359-Q363 WeakPolarHBondContact O-CA 3.5Å; V359-Q363 PolarHBondContact O-N 3.34Å; Q363-R365 PolarHBondContact O-N 3.42Å; Q363-E390 HydrophobicContact CG-CG 4.26Å | ||
| 364 | L | 96 | Very high | 90.8 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | trans | -58.3 | 136.2 | 177.9 | -178.6 | 66.3 | 0 | 0 | 0 | 109.8 | F347 L350 C358 V359 K362 | F347-L364 HydrophobicContact CD1-CD2 3.82Å; F347-L364 HydrophobicContact CD1-CG 4.15Å; F347-L364 HydrophobicContact CE1-CD2 4.09Å; F347-L364 HydrophobicContact CE1-CG 3.96Å; L350-L364 HydrophobicContact CD1-CD2 3.88Å; C358-L364 HydrophobicContact CB-CB 3.81Å; C358-L364 HydrophobicContact CB-CD2 3.57Å; C358-L364 HydrophobicContact CB-CG 4.3Å; C358-L364 WeakPolarHBondContact O-CB 3.37Å; C358-L364 PolarHBondContact O-N 3.4Å; V359-L364 HydrophobicContact CG2-CB 4.42Å; K362-L364 PolarHBondContact O-N 3.34Å | ||
| 365 | R | 96.2 | Very high | 90.7 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 15% | 0.151 | 39% | 0.385 | C | S | . | . | trans | -133.9 | 158.4 | 172.8 | -65 | -60.6 | -178.4 | -84 | -2.7 | 109.9 | Q363 W388 E390 | Q363-R365 PolarHBondContact O-N 3.42Å; R365-W388 HydrophobicContact CG-CG 4.49Å; R365-W388 PolarHBondContact NE-O 3.31Å; R365-W388 PolarHBondContact NH2-O 2.79Å; R365-E390 IonicContact CZ-OE2 2.68Å; R365-E390 IonicContact NH1-OE2 2.73Å; R365-E390 VanDerWaalsContact NH2-CA 3.31Å; R365-E390 IonicContact NH2-OE2 3.52Å; R365-E390 PolarHBondContact NH2-OE2 3.38Å | ||
| 366 | P | 93.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | trans | -57.7 | 139.2 | 175.8 | -25.1 | 36.2 | 0 | 0 | 0 | 112 | I335 W338 F347 W388 | I335-P366 HydrophobicContact CD1-CG 3.6Å; W338-P366 HydrophobicContact CB-CB 4.48Å; W338-P366 HydrophobicContact CD2-CB 3.5Å; W338-P366 VanDerWaalsContact CD2-CB 3.5Å; W338-P366 HydrophobicContact CD2-CG 4.32Å; W338-P366 VanDerWaalsContact CE2-CB 3.42Å; W338-P366 HydrophobicContact CE3-CB 4.19Å; W338-P366 HydrophobicContact CG-CB 3.6Å; W338-P366 HydrophobicContact CG-CG 4.28Å; W338-P366 HydrophobicContact CZ2-CB 4.08Å; F347-P366 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE2-CG 4.32Å; F347-P366 HydrophobicContact CZ-CG 3.71Å; P366-W388 HydrophobicContact CB-CH2 3.8Å; P366-W388 HydrophobicContact CB-CZ3 3.9Å; P366-W388 HydrophobicContact CG-CE3 4.13Å; P366-W388 HydrophobicContact CG-CH2 3.87Å; P366-W388 HydrophobicContact CG-CZ3 3.49Å; P366-W388 VanDerWaalsContact CG-CZ3 3.49Å | ||
| 367 | V | 92.5 | Very high | 90.7 | Very high | 100 Ų | 100 | 72.8 Ų | 72.8 | 61% | 0.606 | 39% | 0.385 | S | S | * | . | trans | -71.3 | 133.3 | -176.4 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | W338 L369 | W338-V367 PolarHBondContact NE1-O 3.42Å; V367-L369 HydrophobicContact CG1-CD2 3.94Å; V367-L369 HydrophobicContact CG1-CG 4.23Å | ||
| 368 | I | 92 | Very high | 90.7 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | trans | -106.9 | 109.8 | 174.2 | -72.7 | 165.4 | 0 | 0 | 0 | 109.2 | Y342 V370 L381 Q385 W388 | Y342-I368 HydrophobicContact CE2-CG1 4.35Å; Y342-I368 WeakPolarHBondContact OH-CA 3.38Å; I368-V370 HydrophobicContact CG2-CG2 4.22Å; I368-L381 HydrophobicContact CD1-CB 4.25Å; I368-L381 HydrophobicContact CD1-CD2 4.41Å; I368-L381 HydrophobicContact CG1-CD1 4.38Å; I368-L381 HydrophobicContact CG1-CD2 4.3Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; I368-Q385 HydrophobicContact CD1-CG 3.55Å; I368-W388 HydrophobicContact CD1-CH2 4.13Å; I368-W388 HydrophobicContact CD1-CZ2 3.77Å | ||
| 369 | L | 87.3 | Confident | 90.6 | Very high | 97 Ų | 97 | 73 Ų | 73 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | trans | -92.9 | 112.4 | 170.7 | -57.4 | 177.1 | 0 | 0 | 0 | 108.9 | Y342 V367 T371 | Y342-L369 HydrophobicContact CE1-CB 4.23Å; Y342-L369 PolarHBondContact OH-N 3.19Å; Y342-L369 PolarHBondContact OH-O 3.22Å; V367-L369 HydrophobicContact CG1-CD2 3.94Å; V367-L369 HydrophobicContact CG1-CG 4.23Å; L369-T371 VanDerWaalsContact C-N 3.32Å | ||
| 370 | V | 77.4 | Confident | 90.6 | Very high | 95 Ų | 95 | 73 Ų | 73 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | trans | -80.8 | -16.2 | -176.5 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | I368 M372 I373 | I368-V370 HydrophobicContact CG2-CG2 4.22Å; V370-M372 PolarHBondContact O-N 3.44Å; V370-I373 HydrophobicContact CG1-CD1 4.5Å | ||
| 371 | T | 74.2 | Confident | 90.7 | Very high | 107 Ų | 107 | 71.2 Ų | 71.2 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 118.2 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | L369 | L369-T371 VanDerWaalsContact C-N 3.32Š|
| 372 | M | 78.3 | Confident | 90.8 | Very high | 188 Ų | 188 | 71.9 Ų | 71.9 | 93% | 0.926 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 19.5 | 178.7 | -46.1 | -58.1 | 178.4 | 0 | 0 | 117.9 | V370 | V370-M372 PolarHBondContact O-N 3.44Š|
| 373 | I | 88.2 | Confident | 90.9 | Very high | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | trans | -111.1 | 144.6 | 170.9 | 61.1 | 175 | 0 | 0 | 0 | 111.6 | V341 Y342 V370 E377 K378 L381 | V341-I373 HydrophobicContact CG1-CG2 4.18Å; Y342-I373 HydrophobicContact CE1-CG2 4.37Å; V370-I373 HydrophobicContact CG1-CD1 4.5Å; I373-E377 HydrophobicContact CB-CB 4.03Å; I373-K378 HydrophobicContact CD1-CB 3.88Å; I373-K378 HydrophobicContact CD1-CG 4.35Å; I373-K378 HydrophobicContact CG1-CB 4.46Å; I373-L381 HydrophobicContact CD1-CD1 3.67Å | ||
| 374 | T | 91.4 | Very high | 91 | Very high | 59 Ų | 59 | 59 Ų | 59 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | trans | -72.2 | 164 | 172.9 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | P239 R376 E377 K378 | P239-T374 HydrophobicContact CG-CG2 3.86Å; T374-R376 PolarHBondContact O-N 3.48Å; T374-E377 WeakPolarHBondContact CB-OE2 3.28Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.08Å; T374-E377 PolarHBondContact N-OE2 2.76Å; T374-E377 PolarHBondContact O-N 3.18Å; T374-E377 VanDerWaalsContact O-N 3.13Å; T374-E377 WeakPolarHBondContact OG1-CG 3.48Å; T374-E377 PolarHBondContact OG1-N 3.06Å; T374-E377 PolarHBondContact OG1-OE2 2.87Å; T374-K378 PolarHBondContact O-N 3.46Å | ||
| 375 | N | 90.1 | Very high | 91.1 | Very high | 126 Ų | 126 | 61 Ų | 61 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.4 | -34.3 | 173.8 | -75 | -24.3 | 0 | 0 | 0 | 112.6 | K379 | N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 WeakPolarHBondContact O-CD 3.29Å; N375-K379 VanDerWaalsContact O-CG 3.26Å; N375-K379 WeakPolarHBondContact O-CG 3.45Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 VanDerWaalsContact O-N 3.13Å |
| 376 | R | 91 | Very high | 91.2 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 14% | 0.143 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.1 | -70.5 | -176.8 | -179.1 | -107.4 | 12 | 112.2 | P239 T374 K379 L380 D412 | P239-R376 HydrophobicContact CB-CB 4.21Å; T374-R376 PolarHBondContact O-N 3.48Å; R376-K379 WeakPolarHBondContact O-CB 3.23Å; R376-K379 PolarHBondContact O-N 3Å; R376-L380 PolarHBondContact O-N 3.02Å; R376-L380 VanDerWaalsContact O-N 3.07Å; R376-D412 IonicContact CZ-OD2 3.84Å; R376-D412 IonicContact NE-OD2 2.75Å; R376-D412 PolarHBondContact NE-OD2 3.39Å; R376-D412 IonicContact NH2-OD2 3.75Å; R376-D412 PolarHBondContact NH2-OD2 2.87Å |
| 377 | E | 93.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 176.6 | -74.8 | 162.9 | 144.3 | 0 | 0 | 111.7 | P239 K242 V341 I373 T374 K379 L380 L381 | P239-E377 HydrophobicContact CB-CG 4.22Å; K242-E377 IonicContact NZ-OE1 3.45Å; K242-E377 PolarHBondContact NZ-OE1 3.17Å; V341-E377 HydrophobicContact CG1-CB 3.87Å; V341-E377 HydrophobicContact CG1-CG 4.1Å; V341-E377 HydrophobicContact CG2-CB 4.32Å; V341-E377 HydrophobicContact CG2-CG 4.32Å; I373-E377 HydrophobicContact CB-CB 4.03Å; T374-E377 WeakPolarHBondContact CB-OE2 3.28Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.08Å; T374-E377 PolarHBondContact N-OE2 2.76Å; T374-E377 PolarHBondContact O-N 3.18Å; T374-E377 VanDerWaalsContact O-N 3.13Å; T374-E377 WeakPolarHBondContact OG1-CG 3.48Å; T374-E377 PolarHBondContact OG1-N 3.06Å; T374-E377 PolarHBondContact OG1-OE2 2.87Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; E377-L380 WeakPolarHBondContact O-CB 3.32Å; E377-L380 PolarHBondContact O-N 2.79Å; E377-L380 VanDerWaalsContact O-N 3.16Å; E377-L381 WeakPolarHBondContact O-CG 3.42Å; E377-L381 PolarHBondContact O-N 2.76Å |
| 378 | K | 93.7 | Very high | 91.6 | Very high | 99 Ų | 99 | 59 Ų | 59 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56 | -48.5 | 172.5 | -176.6 | -179.3 | 176 | -176.4 | 0 | 111.4 | I373 T374 L380 L381 D382 | I373-K378 HydrophobicContact CD1-CB 3.88Å; I373-K378 HydrophobicContact CD1-CG 4.35Å; I373-K378 HydrophobicContact CG1-CB 4.46Å; T374-K378 PolarHBondContact O-N 3.46Å; K378-L380 VanDerWaalsContact C-N 3.32Å; K378-L380 PolarHBondContact O-N 3.21Å; K378-L381 CarbonylContact O-C 3.22Å; K378-L381 WeakPolarHBondContact O-CA 3.34Å; K378-L381 WeakPolarHBondContact O-CB 3.49Å; K378-L381 PolarHBondContact O-N 3.45Å; K378-D382 VanDerWaalsContact O-CG 3.26Å; K378-D382 PolarHBondContact O-N 2.87Å |
| 379 | K | 93.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.8 | -79.9 | 166.6 | 165.2 | -174.1 | 0 | 113.2 | N375 R376 E377 L381 D382 I383 H408 | N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 WeakPolarHBondContact O-CD 3.29Å; N375-K379 VanDerWaalsContact O-CG 3.26Å; N375-K379 WeakPolarHBondContact O-CG 3.45Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 VanDerWaalsContact O-N 3.13Å; R376-K379 WeakPolarHBondContact O-CB 3.23Å; R376-K379 PolarHBondContact O-N 3Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-D382 PolarHBondContact O-N 2.84Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.1Å; K379-H408 HydrophobicContact CD-CB 4.32Å; K379-H408 VanDerWaalsContact CD-CD2 3.45Å; K379-H408 WeakPolarHBondContact CD-CD2 3.47Å; K379-H408 VanDerWaalsContact CG-CD2 3.49Å; K379-H408 WeakPolarHBondContact CG-CD2 3.5Å |
| 380 | L | 95.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.6 | -76.9 | 174.5 | 0 | 0 | 0 | 111.3 | K242 Q243 C246 I337 V341 R376 E377 K378 I383 A384 L405 | K242-L380 HydrophobicContact CB-CD1 4.5Å; Q243-L380 HydrophobicContact CB-CD1 4.12Å; Q243-L380 HydrophobicContact CB-CD2 4.46Å; Q243-L380 HydrophobicContact CG-CD2 4.23Å; C246-L380 HydrophobicContact CB-CD2 4.14Å; I337-L380 HydrophobicContact CG2-CB 3.75Å; I337-L380 HydrophobicContact CG2-CD2 4.44Å; I337-L380 WeakPolarHBondContact CG2-O 3.34Å; V341-L380 HydrophobicContact CG2-CB 4.09Å; V341-L380 HydrophobicContact CG2-CD1 4.24Å; R376-L380 PolarHBondContact O-N 3.02Å; R376-L380 VanDerWaalsContact O-N 3.07Å; E377-L380 WeakPolarHBondContact O-CB 3.32Å; E377-L380 PolarHBondContact O-N 2.79Å; E377-L380 VanDerWaalsContact O-N 3.16Å; K378-L380 VanDerWaalsContact C-N 3.32Å; K378-L380 PolarHBondContact O-N 3.21Å; L380-I383 PolarHBondContact O-N 3.35Å; L380-A384 PolarHBondContact O-N 3.05Å; L380-L405 HydrophobicContact CD2-CD2 3.49Å; L380-L405 VanDerWaalsContact CD2-CD2 3.49Å |
| 381 | L | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 178.2 | -67.8 | 174.8 | 0 | 0 | 0 | 112.8 | V341 Y342 I368 I373 E377 K378 K379 I383 A384 Q385 | V341-L381 HydrophobicContact CB-CD2 4.05Å; V341-L381 HydrophobicContact CB-CG 4.37Å; V341-L381 HydrophobicContact CG1-CD1 3.97Å; V341-L381 HydrophobicContact CG1-CD2 4.19Å; V341-L381 HydrophobicContact CG1-CG 4.1Å; V341-L381 HydrophobicContact CG2-CD2 4.09Å; V341-L381 HydrophobicContact CG2-CG 4.17Å; Y342-L381 HydrophobicContact CD2-CD2 4.4Å; Y342-L381 HydrophobicContact CE2-CD1 3.83Å; Y342-L381 HydrophobicContact CE2-CD2 3.85Å; Y342-L381 WeakPolarHBondContact OH-CD1 3.33Å; I368-L381 HydrophobicContact CD1-CB 4.25Å; I368-L381 HydrophobicContact CD1-CD2 4.41Å; I368-L381 HydrophobicContact CG1-CD1 4.38Å; I368-L381 HydrophobicContact CG1-CD2 4.3Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; I373-L381 HydrophobicContact CD1-CD1 3.67Å; E377-L381 WeakPolarHBondContact O-CG 3.42Å; E377-L381 PolarHBondContact O-N 2.76Å; K378-L381 CarbonylContact O-C 3.22Å; K378-L381 WeakPolarHBondContact O-CA 3.34Å; K378-L381 WeakPolarHBondContact O-CB 3.49Å; K378-L381 PolarHBondContact O-N 3.45Å; K379-L381 VanDerWaalsContact C-N 3.34Å; L381-I383 VanDerWaalsContact C-N 3.34Å; L381-A384 WeakPolarHBondContact O-CB 3.39Å; L381-A384 PolarHBondContact O-N 2.85Å; L381-Q385 WeakPolarHBondContact O-CG 3.42Å; L381-Q385 PolarHBondContact O-N 3.34Å |
| 382 | D | 96.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 173.1 | -62.5 | -27.3 | 0 | 0 | 0 | 109.8 | K378 K379 A384 Q385 E386 | K378-D382 VanDerWaalsContact O-CG 3.26Å; K378-D382 PolarHBondContact O-N 2.87Å; K379-D382 PolarHBondContact O-N 2.84Å; D382-A384 PolarHBondContact O-N 2.9Å; D382-Q385 WeakPolarHBondContact O-CB 3.48Å; D382-Q385 PolarHBondContact O-N 3.35Å; D382-E386 PolarHBondContact O-N 3.41Å |
| 383 | I | 97.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.8 | -63.1 | 168 | 0 | 0 | 0 | 111.1 | I337 K379 L380 L381 Q385 E386 C387 I401 M404 L405 | I337-I383 HydrophobicContact CD1-CB 4.45Å; I337-I383 HydrophobicContact CD1-CG2 3.99Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.1Å; L380-I383 PolarHBondContact O-N 3.35Å; L381-I383 VanDerWaalsContact C-N 3.34Å; I383-Q385 VanDerWaalsContact C-N 3.26Å; I383-Q385 PolarHBondContact O-N 3.34Å; I383-E386 PolarHBondContact O-N 2.88Å; I383-C387 WeakPolarHBondContact O-CB 3.47Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 2.85Å; I383-I401 HydrophobicContact CG2-CG2 4.04Å; I383-M404 HydrophobicContact CD1-CB 3.78Å; I383-M404 HydrophobicContact CG1-CB 4.1Å; I383-M404 HydrophobicContact CG1-SD 4.39Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; I383-L405 HydrophobicContact CD1-CG 3.96Å |
| 384 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I337 L380 L381 D382 C387 W388 | I337-A384 HydrophobicContact CB-CB 3.9Å; I337-A384 HydrophobicContact CD1-CB 4.22Å; I337-A384 HydrophobicContact CG2-CB 3.9Å; L380-A384 PolarHBondContact O-N 3.05Å; L381-A384 WeakPolarHBondContact O-CB 3.39Å; L381-A384 PolarHBondContact O-N 2.85Å; D382-A384 PolarHBondContact O-N 2.9Å; A384-C387 WeakPolarHBondContact O-CB 2.88Å; A384-C387 PolarHBondContact O-N 3.06Å; A384-W388 HydrophobicContact CB-CZ3 4.45Å; A384-W388 PolarHBondContact O-N 2.82Å; A384-W388 VanDerWaalsContact O-N 3.12Å |
| 385 | Q | 97.4 | Very high | 96 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -42 | 176.9 | -76.1 | -178.1 | -16.9 | 0 | 0 | 112.8 | I368 L381 D382 I383 C387 W388 | I368-Q385 HydrophobicContact CD1-CG 3.55Å; L381-Q385 WeakPolarHBondContact O-CG 3.42Å; L381-Q385 PolarHBondContact O-N 3.34Å; D382-Q385 WeakPolarHBondContact O-CB 3.48Å; D382-Q385 PolarHBondContact O-N 3.35Å; I383-Q385 VanDerWaalsContact C-N 3.26Å; I383-Q385 PolarHBondContact O-N 3.34Å; Q385-C387 VanDerWaalsContact C-N 3.32Å; Q385-W388 HydrophobicContact CG-CZ2 3.98Å |
| 386 | E | 98 | Very high | 96.4 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 173.1 | -66 | -178.3 | -137.4 | 0 | 0 | 111.7 | D382 I383 W388 P396 M404 | D382-E386 PolarHBondContact O-N 3.41Å; I383-E386 PolarHBondContact O-N 2.88Å; E386-W388 VanDerWaalsContact C-N 3.34Å; E386-W388 PolarHBondContact O-N 2.82Å; E386-P396 HydrophobicContact CB-CG 4.23Å; E386-P396 WeakPolarHBondContact O-CD 3.41Å; E386-M404 VanDerWaalsContact OE2-CE 3.24Å; E386-M404 WeakPolarHBondContact OE2-CE 3.3Å |
| 387 | C | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | -179.2 | -71 | 0 | 0 | 0 | 0 | 113.4 | V330 Y331 I383 A384 Q385 R395 I401 | V330-C387 HydrophobicContact CG1-CB 3.93Å; V330-C387 WeakPolarHBondContact O-CB 3.36Å; Y331-C387 VanDerWaalsContact CA-O 3.3Å; Y331-C387 WeakPolarHBondContact CA-O 3.46Å; I383-C387 WeakPolarHBondContact O-CB 3.47Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 2.85Å; A384-C387 WeakPolarHBondContact O-CB 2.88Å; A384-C387 PolarHBondContact O-N 3.06Å; Q385-C387 VanDerWaalsContact C-N 3.32Å; C387-R395 WeakPolarHBondContact O-CD 3.34Å; C387-R395 WeakPolarHBondContact O-CG 2.9Å; C387-I401 VanDerWaalsContact SG-CD1 3.58Å |
| 388 | W | 97.1 | Very high | 97 | Very high | 15 Ų | 15 | 46 Ų | 46 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 22.3 | -177.2 | 66.8 | 30.5 | 0 | 0 | 0 | 114.5 | Y331 I335 W338 R365 P366 I368 A384 Q385 E386 E390 | Y331-W388 HydrophobicContact CD2-CB 3.73Å; Y331-W388 HydrophobicContact CE2-CB 3.63Å; Y331-W388 HydrophobicContact CG-CB 4.37Å; I335-W388 HydrophobicContact CD1-CE3 3.67Å; I335-W388 HydrophobicContact CD1-CZ3 4.1Å; I335-W388 HydrophobicContact CG1-CE3 4.48Å; W338-W388 HydrophobicContact CB-CH2 4.01Å; W338-W388 HydrophobicContact CB-CZ3 3.68Å; W338-W388 AromaticContact CD1-CH2 3.64Å; W338-W388 HydrophobicContact CG-CH2 4.02Å; W338-W388 HydrophobicContact CG-CZ3 4.07Å; R365-W388 HydrophobicContact CG-CG 4.49Å; R365-W388 PolarHBondContact NE-O 3.31Å; R365-W388 PolarHBondContact NH2-O 2.79Å; P366-W388 HydrophobicContact CB-CH2 3.8Å; P366-W388 HydrophobicContact CB-CZ3 3.9Å; P366-W388 HydrophobicContact CG-CE3 4.13Å; P366-W388 HydrophobicContact CG-CH2 3.87Å; P366-W388 HydrophobicContact CG-CZ3 3.49Å; P366-W388 VanDerWaalsContact CG-CZ3 3.49Å; I368-W388 HydrophobicContact CD1-CH2 4.13Å; I368-W388 HydrophobicContact CD1-CZ2 3.77Å; A384-W388 HydrophobicContact CB-CZ3 4.45Å; A384-W388 PolarHBondContact O-N 2.82Å; A384-W388 VanDerWaalsContact O-N 3.12Å; Q385-W388 HydrophobicContact CG-CZ2 3.98Å; E386-W388 VanDerWaalsContact C-N 3.34Å; E386-W388 PolarHBondContact O-N 2.82Å; W388-E390 PolarHBondContact O-N 3.41Å |
| 389 | D | 97.9 | Very high | 97.1 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | trans | -51.3 | 143.1 | 173.9 | -162.3 | -62.2 | 0 | 0 | 0 | 110.5 | D391 K394 R395 | D389-D391 PolarHBondContact O-N 2.53Å; D389-D391 PolarHBondContact OD1-N 2.86Å; D389-K394 HydrophobicContact CB-CB 4.23Å; D389-R395 HydrophobicContact CB-CG 4.07Å; D389-R395 PolarHBondContact O-NE 3.19Å; D389-R395 PolarHBondContact O-NH2 2.9Å; D389-R395 VanDerWaalsContact O-NH2 3.09Å | ||
| 390 | E | 96 | Very high | 97.4 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -60 | -39.3 | 176.7 | -177.6 | 61 | -153.5 | 0 | 0 | 111.2 | P316 R320 Q363 R365 W388 A392 R395 | P316-E390 WeakPolarHBondContact CB-OE1 3.41Å; P316-E390 WeakPolarHBondContact CG-OE2 3.46Å; R320-E390 IonicContact CZ-OE1 3.32Å; R320-E390 VanDerWaalsContact CZ-OE1 3.32Å; R320-E390 IonicContact NH1-OE1 2.97Å; R320-E390 PolarHBondContact NH1-OE1 2.85Å; R320-E390 IonicContact NH2-OE1 2.7Å; R320-E390 PolarHBondContact NH2-OE1 2.95Å; Q363-E390 HydrophobicContact CG-CG 4.26Å; R365-E390 IonicContact CZ-OE2 2.68Å; R365-E390 IonicContact NH1-OE2 2.73Å; R365-E390 VanDerWaalsContact NH2-CA 3.31Å; R365-E390 IonicContact NH2-OE2 3.52Å; R365-E390 PolarHBondContact NH2-OE2 3.38Å; W388-E390 PolarHBondContact O-N 3.41Å; E390-A392 PolarHBondContact O-N 3.41Å; E390-R395 PolarHBondContact O-NH2 3.35Å |
| 391 | D | 96.5 | Very high | 97.5 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -82.4 | 112.1 | 175.1 | -173.5 | -6.9 | 0 | 0 | 0 | 110.1 | D389 E393 K394 | D389-D391 PolarHBondContact O-N 2.53Å; D389-D391 PolarHBondContact OD1-N 2.86Å; D391-E393 PolarHBondContact O-N 2.98Å; D391-E393 VanDerWaalsContact O-N 3.17Å; D391-E393 PolarHBondContact OD1-N 3.26Å; D391-E393 VanDerWaalsContact OD1-N 3.09Å; D391-K394 HydrophobicContact CB-CB 4.37Å; D391-K394 HydrophobicContact CB-CD 3.94Å; D391-K394 HydrophobicContact CB-CG 3.97Å; D391-K394 PolarHBondContact O-N 3.04Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD2-CE 3.41Å |
| 392 | A | 97.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.1 | -30.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K327 E390 K394 R395 | K327-A392 HydrophobicContact CB-CB 3.96Å; K327-A392 WeakPolarHBondContact CD-O 3.34Å; K327-A392 WeakPolarHBondContact CE-O 3.5Å; K327-A392 HydrophobicContact CG-CB 4.31Å; K327-A392 VanDerWaalsContact CG-O 3.26Å; K327-A392 WeakPolarHBondContact CG-O 3.43Å; E390-A392 PolarHBondContact O-N 3.41Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.28Å; A392-R395 PolarHBondContact O-N 3.18Å |
| 393 | E | 96.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 47.6 Ų | 47.6 | 67% | 0.673 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -72.3 | -26.3 | -178.7 | -64.7 | -54.5 | 132.8 | 0 | 0 | 112.8 | D391 | D391-E393 PolarHBondContact O-N 2.98Å; D391-E393 VanDerWaalsContact O-N 3.17Å; D391-E393 PolarHBondContact OD1-N 3.26Å; D391-E393 VanDerWaalsContact OD1-N 3.09Å |
| 394 | K | 97.9 | Very high | 97.4 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -78.5 | -21.1 | 177.8 | -66.6 | -176.5 | -170.1 | 168.1 | 0 | 113.6 | D389 D391 A392 | D389-K394 HydrophobicContact CB-CB 4.23Å; D391-K394 HydrophobicContact CB-CB 4.37Å; D391-K394 HydrophobicContact CB-CD 3.94Å; D391-K394 HydrophobicContact CB-CG 3.97Å; D391-K394 PolarHBondContact O-N 3.04Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD2-CE 3.41Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.28Å |
| 395 | R | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -64.3 | 139.8 | -179.8 | -57.1 | 172.8 | -168.2 | 151.3 | 14.4 | 109.5 | E317 K327 V330 C387 D389 E390 A392 | E317-R395 IonicContact OE1-CZ 3.88Å; E317-R395 IonicContact OE1-NH1 2.84Å; E317-R395 PolarHBondContact OE1-NH1 3.44Å; E317-R395 IonicContact OE1-NH2 2.8Å; E317-R395 IonicContact OE2-CZ 3.18Å; E317-R395 IonicContact OE2-NH1 2.81Å; E317-R395 PolarHBondContact OE2-NH1 2.9Å; E317-R395 IonicContact OE2-NH2 2.98Å; E317-R395 PolarHBondContact OE2-NH2 2.74Å; K327-R395 HydrophobicContact CD-CB 4.31Å; K327-R395 PolarHBondContact NZ-O 2.88Å; K327-R395 PolarHBondContact O-NH1 3.47Å; V330-R395 HydrophobicContact CG1-CB 3.88Å; C387-R395 WeakPolarHBondContact O-CD 3.34Å; C387-R395 WeakPolarHBondContact O-CG 2.9Å; D389-R395 HydrophobicContact CB-CG 4.07Å; D389-R395 PolarHBondContact O-NE 3.19Å; D389-R395 PolarHBondContact O-NH2 2.9Å; D389-R395 VanDerWaalsContact O-NH2 3.09Å; E390-R395 PolarHBondContact O-NH2 3.35Å; A392-R395 PolarHBondContact O-N 3.18Å |
| 396 | P | 98.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -68 | 161.2 | 179 | 27.5 | -34.2 | 0 | 0 | 0 | 112.1 | V330 E386 Q400 I401 M404 | V330-P396 WeakPolarHBondContact CG1-O 3.44Å; V330-P396 WeakPolarHBondContact CG2-O 3.43Å; E386-P396 HydrophobicContact CB-CG 4.23Å; E386-P396 WeakPolarHBondContact O-CD 3.41Å; P396-Q400 VanDerWaalsContact CA-OE1 3.26Å; P396-Q400 HydrophobicContact CB-CB 4.02Å; P396-I401 HydrophobicContact CB-CG1 3.95Å; P396-I401 HydrophobicContact CG-CD1 4.04Å; P396-I401 HydrophobicContact CG-CG1 3.65Å; P396-M404 HydrophobicContact CB-CE 4.2Å |
| 397 | T | 98.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 159.1 | 167.2 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | N399 Q400 I401 | T397-N399 PolarHBondContact O-N 2.67Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 2.85Å; T397-Q400 WeakPolarHBondContact OG1-CG 3.01Å; T397-Q400 PolarHBondContact OG1-N 3.45Å; T397-Q400 PolarHBondContact OG1-OE1 3.43Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 2.82Å |
| 398 | F | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 176.2 | -78.8 | -67.4 | 0 | 0 | 0 | 113.3 | A250 L253 D254 H257 D329 V330 F333 I401 C402 | A250-F398 HydrophobicContact CB-CD1 4.12Å; L253-F398 HydrophobicContact CB-CD1 3.88Å; L253-F398 HydrophobicContact CB-CD2 3.57Å; L253-F398 HydrophobicContact CB-CE1 3.79Å; L253-F398 HydrophobicContact CB-CE2 3.48Å; L253-F398 VanDerWaalsContact CB-CE2 3.48Å; L253-F398 HydrophobicContact CB-CG 3.8Å; L253-F398 HydrophobicContact CB-CZ 3.61Å; L253-F398 HydrophobicContact CD1-CD1 4.42Å; L253-F398 HydrophobicContact CD1-CE1 3.55Å; L253-F398 HydrophobicContact CD1-CE2 3.99Å; L253-F398 HydrophobicContact CD1-CZ 3.3Å; L253-F398 HydrophobicContact CG-CE1 4.29Å; L253-F398 HydrophobicContact CG-CE2 4.2Å; L253-F398 HydrophobicContact CG-CZ 3.99Å; D254-F398 HydrophobicContact CB-CB 3.66Å; H257-F398 AromaticContact CE1-CD2 3.43Å; H257-F398 VanDerWaalsContact CE1-CD2 3.43Å; H257-F398 WeakPolarHBondContact CE1-CD2 3.45Å; H257-F398 AromaticContact CE1-CE2 3.38Å; H257-F398 WeakPolarHBondContact CE1-CE2 3.42Å; H257-F398 AromaticContact ND1-CD2 3.48Å; H257-F398 WeakPolarHBondContact ND1-CD2 3.39Å; H257-F398 AromaticContact ND1-CE2 3.94Å; H257-F398 AromaticContact NE2-CE2 3.98Å; D329-F398 HydrophobicContact CB-CE2 3.95Å; D329-F398 HydrophobicContact CB-CZ 4.33Å; V330-F398 HydrophobicContact CG2-CD2 4.12Å; V330-F398 HydrophobicContact CG2-CE2 3.72Å; V330-F398 HydrophobicContact CG2-CZ 4.04Å; F333-F398 HydrophobicContact CB-CE1 3.83Å; F333-F398 HydrophobicContact CB-CZ 3.83Å; F333-F398 AromaticContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD2-CE1 4.17Å; F333-F398 HydrophobicContact CE1-CE1 4.3Å; F333-F398 AromaticContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CZ 4.17Å; F398-I401 HydrophobicContact CD1-CD1 3.78Å; F398-I401 HydrophobicContact CE1-CD1 3.96Å; F398-I401 HydrophobicContact CG-CD1 4.44Å; F398-I401 PolarHBondContact O-N 2.82Å; F398-C402 WeakPolarHBondContact O-CB 3.41Å; F398-C402 PolarHBondContact O-N 2.84Å; F398-C402 PolarHBondContact O-SG 3.15Å |
| 399 | N | 97.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 169.5 | -173.9 | -98.5 | 0 | 0 | 0 | 112.4 | D254 T397 C402 S403 | D254-N399 PolarHBondContact OD1-N 2.68Å; T397-N399 PolarHBondContact O-N 2.67Å; N399-C402 WeakPolarHBondContact O-CB 3.13Å; N399-C402 PolarHBondContact O-N 3.25Å; N399-S403 PolarHBondContact O-N 3.33Å; N399-S403 VanDerWaalsContact O-N 3.15Å; N399-S403 PolarHBondContact O-OG 2.78Å |
| 400 | Q | 97.9 | Very high | 89.9 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.5 | -70 | 169.6 | -35.5 | 0 | 0 | 111.5 | P396 T397 C402 S403 M404 | P396-Q400 VanDerWaalsContact CA-OE1 3.26Å; P396-Q400 HydrophobicContact CB-CB 4.02Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 2.85Å; T397-Q400 WeakPolarHBondContact OG1-CG 3.01Å; T397-Q400 PolarHBondContact OG1-N 3.45Å; T397-Q400 PolarHBondContact OG1-OE1 3.43Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.04Å; Q400-S403 WeakPolarHBondContact O-CB 3.33Å; Q400-S403 PolarHBondContact O-N 3.32Å; Q400-S403 VanDerWaalsContact O-N 3.11Å; Q400-M404 VanDerWaalsContact O-CG 3.31Å; Q400-M404 WeakPolarHBondContact O-CG 3.34Å; Q400-M404 PolarHBondContact O-N 2.87Å |
| 401 | I | 98.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 176.4 | -63.2 | 169 | 0 | 0 | 0 | 110.4 | A250 V330 F333 I383 C387 P396 T397 F398 S403 M404 L405 | A250-I401 HydrophobicContact CB-CG2 4.03Å; V330-I401 HydrophobicContact CG1-CD1 4.03Å; F333-I401 HydrophobicContact CD1-CD1 4.19Å; F333-I401 HydrophobicContact CD1-CG2 4.35Å; F333-I401 HydrophobicContact CE1-CD1 4.42Å; F333-I401 HydrophobicContact CE1-CG2 3.56Å; F333-I401 HydrophobicContact CZ-CG2 4.33Å; I383-I401 HydrophobicContact CG2-CG2 4.04Å; C387-I401 VanDerWaalsContact SG-CD1 3.58Å; P396-I401 HydrophobicContact CB-CG1 3.95Å; P396-I401 HydrophobicContact CG-CD1 4.04Å; P396-I401 HydrophobicContact CG-CG1 3.65Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 2.82Å; F398-I401 HydrophobicContact CD1-CD1 3.78Å; F398-I401 HydrophobicContact CE1-CD1 3.96Å; F398-I401 HydrophobicContact CG-CD1 4.44Å; F398-I401 PolarHBondContact O-N 2.82Å; I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 PolarHBondContact O-N 3.49Å; I401-M404 WeakPolarHBondContact O-CB 3.1Å; I401-M404 PolarHBondContact O-N 2.97Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.48Å |
| 402 | C | 96.8 | Very high | 85.1 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.2 | -76.8 | 0 | 0 | 0 | 0 | 112 | F398 N399 Q400 L405 Q406 | F398-C402 WeakPolarHBondContact O-CB 3.41Å; F398-C402 PolarHBondContact O-N 2.84Å; F398-C402 PolarHBondContact O-SG 3.15Å; N399-C402 WeakPolarHBondContact O-CB 3.13Å; N399-C402 PolarHBondContact O-N 3.25Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.04Å; C402-L405 PolarHBondContact O-N 3.08Å; C402-Q406 WeakPolarHBondContact O-CB 3.32Å; C402-Q406 VanDerWaalsContact O-CG 3.28Å; C402-Q406 WeakPolarHBondContact O-CG 3.48Å; C402-Q406 PolarHBondContact O-N 3.36Å |
| 403 | S | 96 | Very high | 82 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | N399 Q400 I401 Q406 S407 | N399-S403 PolarHBondContact O-N 3.33Å; N399-S403 VanDerWaalsContact O-N 3.15Å; N399-S403 PolarHBondContact O-OG 2.78Å; Q400-S403 WeakPolarHBondContact O-CB 3.33Å; Q400-S403 PolarHBondContact O-N 3.32Å; Q400-S403 VanDerWaalsContact O-N 3.11Å; I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 PolarHBondContact O-N 3.49Å; S403-Q406 PolarHBondContact O-N 3.2Å; S403-S407 PolarHBondContact O-N 3.3Å; S403-S407 VanDerWaalsContact O-N 3.09Å; S403-S407 PolarHBondContact O-OG 2.94Å |
| 404 | M | 96.1 | Very high | 78.8 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 23% | 0.232 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 174.1 | -66.1 | 163.3 | 174.2 | 0 | 0 | 110.4 | I383 E386 P396 Q400 I401 Q406 S407 H408 | I383-M404 HydrophobicContact CD1-CB 3.78Å; I383-M404 HydrophobicContact CG1-CB 4.1Å; I383-M404 HydrophobicContact CG1-SD 4.39Å; E386-M404 VanDerWaalsContact OE2-CE 3.24Å; E386-M404 WeakPolarHBondContact OE2-CE 3.3Å; P396-M404 HydrophobicContact CB-CE 4.2Å; Q400-M404 VanDerWaalsContact O-CG 3.31Å; Q400-M404 WeakPolarHBondContact O-CG 3.34Å; Q400-M404 PolarHBondContact O-N 2.87Å; I401-M404 WeakPolarHBondContact O-CB 3.1Å; I401-M404 PolarHBondContact O-N 2.97Å; M404-Q406 VanDerWaalsContact C-N 3.34Å; M404-Q406 PolarHBondContact O-N 3.31Å; M404-S407 PolarHBondContact O-OG 2.86Å; M404-H408 PolarHBondContact O-CE1 3.22Å; M404-H408 VanDerWaalsContact O-CG 3.25Å; M404-H408 PolarHBondContact O-ND1 3.29Å |
| 405 | L | 93.9 | Very high | 75.6 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.5 | -30.8 | -180 | -69.5 | 170.8 | 0 | 0 | 0 | 113.5 | Q243 K247 A250 F333 L380 I383 I401 C402 S409 | Q243-L405 PolarHBondContact NE2-O 2.81Å; K247-L405 HydrophobicContact CB-CB 4.34Å; K247-L405 HydrophobicContact CB-CD1 4.19Å; K247-L405 HydrophobicContact CG-CB 4.43Å; A250-L405 HydrophobicContact CB-CD1 4Å; F333-L405 HydrophobicContact CZ-CD1 4.49Å; L380-L405 HydrophobicContact CD2-CD2 3.49Å; L380-L405 VanDerWaalsContact CD2-CD2 3.49Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; I383-L405 HydrophobicContact CD1-CG 3.96Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.48Å; C402-L405 PolarHBondContact O-N 3.08Å; L405-S409 PolarHBondContact O-OG 2.85Å |
| 406 | Q | 88 | Confident | 72.6 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 46% | 0.458 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.6 | -46.8 | 179.1 | -78.6 | 170.9 | 19.8 | 0 | 0 | 113.6 | C402 S403 M404 H408 S409 | C402-Q406 WeakPolarHBondContact O-CB 3.32Å; C402-Q406 VanDerWaalsContact O-CG 3.28Å; C402-Q406 WeakPolarHBondContact O-CG 3.48Å; C402-Q406 PolarHBondContact O-N 3.36Å; S403-Q406 PolarHBondContact O-N 3.2Å; M404-Q406 VanDerWaalsContact C-N 3.34Å; M404-Q406 PolarHBondContact O-N 3.31Å; Q406-H408 PolarHBondContact O-N 3.44Å; Q406-S409 PolarHBondContact O-N 3.1Å; Q406-S409 VanDerWaalsContact O-N 3.08Å |
| 407 | S | 76.3 | Confident | 71.3 | Confident | 68 Ų | 68 | 79 Ų | 79 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.5 | -18.5 | 179 | 51 | 0 | 0 | 0 | 0 | 112.7 | S403 M404 T410 | S403-S407 PolarHBondContact O-N 3.3Å; S403-S407 VanDerWaalsContact O-N 3.09Å; S403-S407 PolarHBondContact O-OG 2.94Å; M404-S407 PolarHBondContact O-OG 2.86Å; S407-T410 PolarHBondContact O-OG1 3.25Å |
| 408 | H | 63.1 | Low | 69.9 | Low | 55 Ų | 55 | 79.9 Ų | 79.9 | 26% | 0.255 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -6.9 | -175.6 | -66.8 | 45.3 | 0 | 0 | 0 | 113.5 | K379 M404 Q406 | K379-H408 HydrophobicContact CD-CB 4.32Å; K379-H408 VanDerWaalsContact CD-CD2 3.45Å; K379-H408 WeakPolarHBondContact CD-CD2 3.47Å; K379-H408 VanDerWaalsContact CG-CD2 3.49Å; K379-H408 WeakPolarHBondContact CG-CD2 3.5Å; M404-H408 PolarHBondContact O-CE1 3.22Å; M404-H408 VanDerWaalsContact O-CG 3.25Å; M404-H408 PolarHBondContact O-ND1 3.29Å; Q406-H408 PolarHBondContact O-N 3.44Å |
| 409 | S | 58.5 | Low | 68.3 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.8 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | L405 Q406 | L405-S409 PolarHBondContact O-OG 2.85Å; Q406-S409 PolarHBondContact O-N 3.1Å; Q406-S409 VanDerWaalsContact O-N 3.08Å |
| 410 | T | 48.4 | Very low | 66.6 | Low | 105 Ų | 105 | 83.8 Ų | 83.8 | 64% | 0.644 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -87.7 | -16 | -172.7 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | S407 D412 | S407-T410 PolarHBondContact O-OG1 3.25Å; T410-D412 PolarHBondContact O-N 3.13Å |
| 411 | A | 45.4 | Very low | 64.7 | Low | 64 Ų | 64 | 83.1 Ų | 83.1 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 412 | D | 46.9 | Very low | 62.5 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 10.3 | -172.8 | -97.8 | 6.6 | 0 | 0 | 0 | 113.3 | R376 T410 | R376-D412 IonicContact CZ-OD2 3.84Å; R376-D412 IonicContact NE-OD2 2.75Å; R376-D412 PolarHBondContact NE-OD2 3.39Å; R376-D412 IonicContact NH2-OD2 3.75Å; R376-D412 PolarHBondContact NH2-OD2 2.87Å; T410-D412 PolarHBondContact O-N 3.13Å |
| 413 | Q | 30.8 | Very low | 60 | Low | 170 Ų | 170 | 94.1 Ų | 94.1 | 79% | 0.794 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -73.9 | 125.2 | 165.7 | -73.1 | -167.4 | -0.5 | 0 | 0 | 108.5 | A415 | Q413-A415 PolarHBondContact O-N 3.26Š|
| 414 | P | 29.7 | Very low | 57.2 | Low | 116 Ų | 116 | 96.4 Ų | 96.4 | 75% | 0.753 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 132.5 | 172.1 | 24.4 | -30.9 | 0 | 0 | 0 | 108.2 | K416 | P414-K416 PolarHBondContact O-N 3.3Å; P414-K416 VanDerWaalsContact O-N 3.11Å |
| 415 | A | 31.2 | Very low | 54 | Low | 104 Ų | 104 | 100.5 Ų | 100.5 | 86% | 0.86 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 122 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q413 | Q413-A415 PolarHBondContact O-N 3.26Š|
| 416 | K | 35.7 | Very low | 50.4 | Low | 280 Ų | 280 | 109.5 Ų | 109.5 | 100% | 1.217 | 62% | 0.623 | S | S | * | * | trans | -62 | 0 | 176.9 | -100 | -174.3 | 176.2 | -179.2 | 0 | 111.9 | P414 | P414-K416 PolarHBondContact O-N 3.3Å; P414-K416 VanDerWaalsContact O-N 3.11Å |
Retrieved 416 of 416 residues in 278.6 ms
(Link to these results)