| 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 | 64.8 | Low | 64 | Low | 243 Ų | 243 | 131.9 Ų | 131.9 | 100% | 1.197 | 78% | 0.778 | S | S | * | * | 0 | 101.3 | 0 | -67.6 | -80.5 | -83.7 | 0 | 0 | 107.6 | |||||
| 2 | S | 64.7 | Low | 64 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -75.9 | 135.3 | 177.3 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | S | 66.6 | Low | 64.3 | Low | 83 Ų | 83 | 144.2 Ų | 144.2 | 58% | 0.58 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 140.9 | -172.7 | -163.2 | 0 | 0 | 0 | 0 | 112.2 | L5 A6 | S3-L5 PolarHBondContact O-N 2.72Å; S3-A6 PolarHBondContact O-N 3.29Å | ||
| 4 | P | 63.8 | Low | 64.5 | Low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -15.9 | -175.1 | -23.3 | 32.5 | 0 | 0 | 0 | 115.9 | ||
| 5 | L | 67.5 | Low | 64.4 | Low | 125 Ų | 125 | 140.8 Ų | 140.8 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -0.4 | -173.8 | -58.8 | 175.9 | 0 | 0 | 0 | 113.4 | S3 S7 L8 | S3-L5 PolarHBondContact O-N 2.72Å; L5-S7 PolarHBondContact O-N 3.45Å; L5-L8 HydrophobicContact CD2-CD1 3.83Å; L5-L8 PolarHBondContact O-N 3.33Å |
| 6 | A | 62.3 | Low | 64.7 | Low | 76 Ų | 76 | 141.3 Ų | 141.3 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -16.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S3 | S3-A6 PolarHBondContact O-N 3.29Š|
| 7 | S | 61.2 | Low | 64.3 | Low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.8 | 177.7 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | L5 S9 | L5-S7 PolarHBondContact O-N 3.45Å; S7-S9 VanDerWaalsContact C-N 3.28Å; S7-S9 PolarHBondContact O-N 3.22Å |
| 8 | L | 63.1 | Low | 63.9 | Low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 39.5 | -175.3 | -64.5 | -179.7 | 0 | 0 | 0 | 113.9 | L5 | L5-L8 HydrophobicContact CD2-CD1 3.83Å; L5-L8 PolarHBondContact O-N 3.33Å | ||
| 9 | S | 62.4 | Low | 63.6 | Low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -106.1 | 38 | -172.3 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | S7 | S7-S9 VanDerWaalsContact C-N 3.28Å; S7-S9 PolarHBondContact O-N 3.22Å | ||
| 10 | K | 66.3 | Low | 63.2 | Low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -170 | 84.7 | 164.2 | -100 | 145.4 | -166.6 | -172.7 | 0 | 111.9 | ||||
| 11 | T | 61.2 | Low | 62.2 | Low | 127 Ų | 127 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -87.2 | 112.5 | 154.2 | 47.5 | 0 | 0 | 0 | 0 | 107.7 | K13 | T11-K13 PolarHBondContact O-N 3.09Å; T11-K13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | R | 64.3 | Low | 61.4 | Low | 236 Ų | 236 | 137.2 Ų | 137.2 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 112.2 | 171.1 | -177.5 | -178.9 | -179 | -171.5 | 0.6 | 107 | V14 | R12-V14 PolarHBondContact O-N 3.37Š| ||
| 13 | K | 67.6 | Low | 60.5 | Low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 115.8 | 174.1 | -66 | -155.5 | 175.6 | -174.9 | 0 | 108.7 | T11 | T11-K13 PolarHBondContact O-N 3.09Å; T11-K13 VanDerWaalsContact O-N 3.12Å | ||
| 14 | V | 67.1 | Low | 59.6 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 123.4 | 165.3 | 175.4 | 0 | 0 | 0 | 0 | 106.7 | R12 L16 | R12-V14 PolarHBondContact O-N 3.37Å; V14-L16 PolarHBondContact O-N 3.22Å; V14-L16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | P | 62.6 | Low | 59.1 | Low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 113.1 | 172.6 | -19.4 | 32.8 | 0 | 0 | 0 | 109 | ||||
| 16 | L | 69.3 | Low | 58.6 | Low | 149 Ų | 149 | 148 Ų | 148 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 147.7 | 166.2 | -65.6 | 175.1 | 0 | 0 | 0 | 108.5 | V14 S18 | V14-L16 PolarHBondContact O-N 3.22Å; V14-L16 VanDerWaalsContact O-N 3.12Å; L16-S18 PolarHBondContact O-N 3.17Å | ||
| 17 | P | 57.9 | Low | 58.2 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 134.5 | 175 | 24 | -32.2 | 0 | 0 | 0 | 110 | E19 | P17-E19 PolarHBondContact O-N 3.49Š| ||
| 18 | S | 57.9 | Low | 57.9 | Low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -66.4 | 115.7 | -178.8 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | L16 | L16-S18 PolarHBondContact O-N 3.17Š| ||
| 19 | E | 57.9 | Low | 57.5 | Low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 139.9 | 164.5 | -164.3 | 167.9 | 179.2 | 0 | 0 | 109.2 | P17 M21 | P17-E19 PolarHBondContact O-N 3.49Å; E19-M21 PolarHBondContact O-N 2.97Å | ||
| 20 | P | 54.6 | Low | 57.1 | Low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -68.2 | 101.3 | -177.7 | 25.8 | -31.7 | 0 | 0 | 0 | 110.5 | N22 | P20-N22 PolarHBondContact O-N 3.44Å; P20-N22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | M | 43.1 | Very low | 56.4 | Low | 179 Ų | 179 | 159 Ų | 159 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -77.8 | 94.8 | 174.5 | -168.7 | 88.1 | 160.9 | 0 | 0 | 109.8 | E19 | E19-M21 PolarHBondContact O-N 2.97Š| ||
| 22 | N | 48 | Very low | 55.9 | Low | 145 Ų | 145 | 156.6 Ų | 156.6 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 140.8 | 145.7 | -97.6 | -68 | 0 | 0 | 0 | 108.6 | P20 G24 | P20-N22 PolarHBondContact O-N 3.44Å; P20-N22 VanDerWaalsContact O-N 3.13Å; N22-G24 PolarHBondContact O-N 3.28Å | ||
| 23 | P | 46.1 | Very low | 55.9 | Low | 116 Ų | 116 | 152.4 Ų | 152.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -83 | 115.7 | -179.6 | 31.9 | -29 | 0 | 0 | 0 | 110.5 | ||
| 24 | G | 48.3 | Very low | 55.1 | Low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 115.5 | 85.9 | 150 | 0 | 0 | 0 | 0 | 0 | 116.6 | N22 | N22-G24 PolarHBondContact O-N 3.28Š| ||
| 25 | R | 51.8 | Low | 54.9 | Low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | -176.8 | 124.5 | 121.2 | -109.4 | 175.4 | -179.9 | -100.4 | 2.5 | 109.7 | G27 | R25-G27 PolarHBondContact O-N 2.87Š| |||
| 26 | R | 56.9 | Low | 54.7 | Low | 245 Ų | 245 | 155.2 Ų | 155.2 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -56.3 | 128.5 | 161.7 | -73.8 | 173.8 | -122.4 | -109.9 | -2.1 | 108.2 | ||||
| 27 | G | 54.9 | Low | 54.4 | Low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -91.7 | 138.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110 | R25 | R25-G27 PolarHBondContact O-N 2.87Š| ||
| 28 | I | 54.9 | Low | 54.4 | Low | 171 Ų | 171 | 153.8 Ų | 153.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 138.9 | 145.4 | -58.9 | -178 | 0 | 0 | 0 | 106.8 | ||||
| 29 | R | 53.4 | Low | 54.3 | Low | 227 Ų | 227 | 156.2 Ų | 156.2 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 168 | -165.7 | -56.1 | 152.9 | -173.8 | -99.5 | 0.1 | 111.4 | ||||
| 30 | I | 55.6 | Low | 54.1 | Low | 154 Ų | 154 | 154.7 Ų | 154.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 173.1 | 148.6 | 74.6 | -68.6 | -177.5 | 0 | 0 | 0 | 105.4 | |||||
| 31 | Y | 51.8 | Low | 54.1 | Low | 242 Ų | 242 | 153.9 Ų | 153.9 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | trans | -32.5 | 138.1 | 175.1 | -77.7 | -99.7 | 0 | 0 | 0 | 116.3 | ||||
| 32 | G | 50.1 | Low | 55 | Low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 174.8 | 101.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 33 | D | 63.5 | Low | 54.5 | Low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -81.2 | 105.4 | 166 | 164.6 | 44.7 | 0 | 0 | 0 | 107.3 | ||||
| 34 | E | 51.8 | Low | 54.5 | Low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 122.4 | 158.7 | -48.5 | -67.6 | 156.3 | 0 | 0 | 108.3 | ||||
| 35 | D | 61.6 | Low | 54.7 | Low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -76.1 | 110.5 | 172.6 | -177.6 | 35.4 | 0 | 0 | 0 | 109.2 | ||||
| 36 | E | 60 | Low | 54.6 | Low | 168 Ų | 168 | 143.3 Ų | 143.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -115.6 | 101.6 | 177.8 | -69.5 | -79.8 | 175.8 | 0 | 0 | 109.3 | ||||
| 37 | V | 62.8 | Low | 54.8 | Low | 109 Ų | 109 | 140.8 Ų | 140.8 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 115.3 | 167.8 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | M39 | V37-M39 PolarHBondContact O-N 3.18Š| ||
| 38 | D | 57.2 | Low | 54.5 | Low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -78.2 | 95.6 | 174.6 | -164.7 | 14.8 | 0 | 0 | 0 | 110.7 | L40 | D38-L40 PolarHBondContact O-N 3.12Š| ||
| 39 | M | 56.4 | Low | 55 | Low | 168 Ų | 168 | 147.1 Ų | 147.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -73.2 | 83.7 | 168.6 | -75.8 | -97.2 | -92.4 | 0 | 0 | 110.1 | V37 S41 | V37-M39 PolarHBondContact O-N 3.18Å; M39-S41 VanDerWaalsContact C-N 3.33Å; M39-S41 PolarHBondContact O-N 3.01Å; M39-S41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | L | 54.3 | Low | 54.7 | Low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 83.6 | 167.4 | -65.9 | -178.3 | 0 | 0 | 0 | 111.2 | D38 | D38-L40 PolarHBondContact O-N 3.12Š| ||
| 41 | S | 53.7 | Low | 54.7 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 39.4 | 109.4 | 139.1 | -157.1 | 0 | 0 | 0 | 0 | 118.4 | M39 | M39-S41 VanDerWaalsContact C-N 3.33Å; M39-S41 PolarHBondContact O-N 3.01Å; M39-S41 VanDerWaalsContact O-N 3.1Å | ||
| 42 | D | 61 | Low | 54.8 | Low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -55.7 | 143.3 | 145.3 | -168.5 | 15.7 | 0 | 0 | 0 | 109.9 | ||||
| 43 | G | 38.9 | Very low | 54.9 | Low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -176 | 78.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 44 | C | 45.5 | Very low | 54.9 | Low | 120 Ų | 120 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -40.8 | 151.9 | 173.2 | -69.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 45 | G | 52 | Low | 55.1 | Low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -59.2 | 159.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 46 | S | 50 | Low | 55 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -143.2 | 130.4 | 154.1 | 77.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 47 | E | 60.7 | Low | 54.9 | Low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -73.2 | 121 | 162.5 | -51.6 | 172.4 | 111.7 | 0 | 0 | 107 | ||||
| 48 | E | 49.9 | Very low | 54.3 | Low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -157.9 | 134.4 | 154.1 | -129.4 | 173.8 | 135.7 | 0 | 0 | 113.6 | ||||
| 49 | K | 65 | Low | 54.1 | Low | 195 Ų | 195 | 134.9 Ų | 134.9 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -91.8 | 128.8 | -170.3 | -49.7 | 168.3 | -179.1 | 173.2 | 0 | 108.2 | ||||
| 50 | I | 47.5 | Very low | 53.9 | Low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -156.3 | 113.1 | 154.5 | 13.4 | 179.2 | 0 | 0 | 0 | 114.7 | ||||
| 51 | S | 54.1 | Low | 54.3 | Low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 99 | 132.3 | -55.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 52 | V | 55.3 | Low | 54.6 | Low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -67.3 | 134 | 160 | -172 | 0 | 0 | 0 | 0 | 110.5 | S54 | V52-S54 PolarHBondContact O-N 3.48Š| ||
| 53 | P | 51 | Low | 54.4 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -85.3 | 99.6 | 153.1 | -11.1 | 28.8 | 0 | 0 | 0 | 109.2 | C55 | P53-C55 PolarHBondContact O-N 3.41Š| ||
| 54 | S | 64.3 | Low | 55.3 | Low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -59.9 | 121.7 | 156.6 | 171.1 | 0 | 0 | 0 | 0 | 108.3 | V52 | V52-S54 PolarHBondContact O-N 3.48Š| ||
| 55 | C | 56.7 | Low | 56 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -179.9 | 126.1 | 149.2 | -92.8 | 0 | 0 | 0 | 0 | 110.2 | P53 | P53-C55 PolarHBondContact O-N 3.41Š| ||
| 56 | Y | 57.8 | Low | 56.5 | Low | 226 Ų | 226 | 137.3 Ų | 137.3 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | 85.9 | 85.9 | 179.2 | -71.1 | -89.2 | 0 | 0 | 0 | 117.1 | ||||
| 57 | G | 59.1 | Low | 57 | Low | 83 Ų | 83 | 137.1 Ų | 137.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 143.7 | 147 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 58 | G | 49.8 | Very low | 57 | Low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 172.7 | 109 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G60 | G58-G60 PolarHBondContact O-N 2.89Š| ||
| 59 | I | 53.9 | Low | 57.5 | Low | 188 Ų | 188 | 127 Ų | 127 | 96% | 0.964 | 77% | 0.766 | S | S | * | * | trans | -52.9 | 105.5 | 176.5 | -61.7 | 139.8 | 0 | 0 | 0 | 109.1 | ||||
| 60 | G | 52.6 | Low | 57.3 | Low | 66 Ų | 66 | 120.8 Ų | 120.8 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | -108.8 | 123.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G58 | G58-G60 PolarHBondContact O-N 2.89Š| ||
| 61 | A | 60.8 | Low | 58.4 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -49.5 | 145 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | V63 | A61-V63 PolarHBondContact O-N 3.18Š| ||
| 62 | P | 60.1 | Low | 59.7 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -59.3 | 110.5 | 176.5 | 25.6 | -32 | 0 | 0 | 0 | 107.7 | S64 | P62-S64 PolarHBondContact O-N 2.96Š| ||
| 63 | V | 58.3 | Low | 61.4 | Low | 134 Ų | 134 | 116.7 Ų | 116.7 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -69 | 90.4 | 162 | 178.8 | 0 | 0 | 0 | 0 | 104.3 | A61 R65 | A61-V63 PolarHBondContact O-N 3.18Å; V63-R65 PolarHBondContact O-N 2.83Å | ||
| 64 | S | 57.7 | Low | 63.3 | Low | 91 Ų | 91 | 117 Ų | 117 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -59.2 | 96.4 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 105.2 | P62 Q66 | P62-S64 PolarHBondContact O-N 2.96Å; S64-Q66 PolarHBondContact O-N 3.5Å | ||
| 65 | R | 60.3 | Low | 64.7 | Low | 218 Ų | 218 | 116.5 Ų | 116.5 | 82% | 0.823 | 70% | 0.695 | S | S | * | * | trans | -60.2 | 92.4 | 156.8 | -106.9 | -175.8 | 167.6 | -131.9 | 0.3 | 104 | V63 V67 | V63-R65 PolarHBondContact O-N 2.83Å; R65-V67 PolarHBondContact O-N 3.25Å | ||
| 66 | Q | 61.1 | Low | 66.6 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | trans | -60 | 90.5 | 159.1 | -78.1 | 176 | 7.7 | 0 | 0 | 105.2 | S64 P68 | S64-Q66 PolarHBondContact O-N 3.5Å; Q66-P68 WeakPolarHBondContact O-CD 3.29Å | ||
| 67 | V | 61.4 | Low | 68.4 | Low | 110 Ų | 110 | 108.7 Ų | 108.7 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | trans | -61.5 | 122.9 | 155.2 | 177 | 0 | 0 | 0 | 0 | 104.2 | R65 A69 | R65-V67 PolarHBondContact O-N 3.25Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3.16Å | ||
| 68 | P | 59.8 | Low | 70.2 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 49% | 0.494 | 65% | 0.652 | S | S | . | * | trans | -66.4 | 90.7 | -179.2 | -16.4 | 29.4 | 0 | 0 | 0 | 109.6 | Q66 S70 | Q66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-S70 PolarHBondContact O-N 3.39Å; P68-S70 VanDerWaalsContact O-N 3.13Å | ||
| 69 | A | 60.8 | Low | 72.5 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -6.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V67 | V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3.16Å |
| 70 | S | 61.5 | Low | 74.6 | Confident | 65 Ų | 65 | 106.6 Ų | 106.6 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.6 | -35.3 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | P68 D72 S73 E74 | P68-S70 PolarHBondContact O-N 3.39Å; P68-S70 VanDerWaalsContact O-N 3.13Å; S70-D72 PolarHBondContact O-N 3.5Å; S70-S73 PolarHBondContact O-N 3.4Å; S70-E74 PolarHBondContact O-N 3.11Å |
| 71 | H | 70.4 | Confident | 76.8 | Confident | 122 Ų | 122 | 112.2 Ų | 112.2 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.5 | -36.9 | -175.7 | -73.4 | -53.6 | 0 | 0 | 0 | 112.8 | S73 L75 | H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.94Å; H71-L75 WeakPolarHBondContact O-CB 3.4Å; H71-L75 PolarHBondContact O-N 2.89Å; H71-L75 VanDerWaalsContact O-N 3.14Å |
| 72 | D | 81.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 113.2 Ų | 113.2 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.1 | -33.4 | 178.8 | -66.7 | -12.8 | 0 | 0 | 0 | 111.3 | S70 M76 | S70-D72 PolarHBondContact O-N 3.5Å; D72-M76 WeakPolarHBondContact O-CB 3.4Å; D72-M76 WeakPolarHBondContact O-CG 3.25Å; D72-M76 PolarHBondContact O-N 3.25Å |
| 73 | S | 89.8 | Confident | 80.4 | Confident | 84 Ų | 84 | 112.8 Ų | 112.8 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.7 | -43.7 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | S70 H71 M76 A77 | S70-S73 PolarHBondContact O-N 3.4Å; H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.94Å; S73-M76 PolarHBondContact O-N 3.05Å; S73-A77 WeakPolarHBondContact O-CB 3.39Å; S73-A77 PolarHBondContact O-N 3.11Å |
| 74 | E | 92.4 | Very high | 82.3 | Confident | 132 Ų | 132 | 114 Ų | 114 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68 | -41.1 | 178.1 | -69.8 | 177.2 | -177.6 | 0 | 0 | 111.8 | S70 A77 F78 | S70-E74 PolarHBondContact O-N 3.11Å; E74-A77 PolarHBondContact O-N 2.82Å; E74-F78 PolarHBondContact O-N 2.94Å |
| 75 | L | 93.8 | Very high | 84.3 | Confident | 95 Ų | 95 | 113.5 Ų | 113.5 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61 | -46.4 | 175.3 | 177.7 | 61.6 | 0 | 0 | 0 | 111.2 | H71 A77 F78 M79 | H71-L75 WeakPolarHBondContact O-CB 3.4Å; H71-L75 PolarHBondContact O-N 2.89Å; H71-L75 VanDerWaalsContact O-N 3.14Å; L75-A77 PolarHBondContact O-N 3.2Å; L75-F78 WeakPolarHBondContact O-CB 3.45Å; L75-F78 PolarHBondContact O-N 2.91Å; L75-M79 HydrophobicContact CD1-CG 4.33Å; L75-M79 HydrophobicContact CD1-SD 4.38Å; L75-M79 HydrophobicContact CG-SD 4.24Å; L75-M79 WeakPolarHBondContact O-CG 3.38Å; L75-M79 PolarHBondContact O-N 2.97Å |
| 76 | M | 95.4 | Very high | 86.1 | Confident | 115 Ų | 115 | 107.6 Ų | 107.6 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.9 | -43.1 | 178.1 | -72.4 | -64.4 | -69.4 | 0 | 0 | 111.7 | D72 S73 F78 M79 T80 | D72-M76 WeakPolarHBondContact O-CB 3.4Å; D72-M76 WeakPolarHBondContact O-CG 3.25Å; D72-M76 PolarHBondContact O-N 3.25Å; S73-M76 PolarHBondContact O-N 3.05Å; M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.98Å; M76-M79 PolarHBondContact O-N 3.37Å; M76-T80 PolarHBondContact O-N 3.06Å; M76-T80 PolarHBondContact O-OG1 3.02Å |
| 77 | A | 96.3 | Very high | 87.9 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S73 E74 L75 R81 | S73-A77 WeakPolarHBondContact O-CB 3.39Å; S73-A77 PolarHBondContact O-N 3.11Å; E74-A77 PolarHBondContact O-N 2.82Å; L75-A77 PolarHBondContact O-N 3.2Å; A77-R81 PolarHBondContact O-N 2.87Å; A77-R81 VanDerWaalsContact O-N 3.09Å |
| 78 | F | 96.9 | Very high | 89.7 | Confident | 120 Ų | 120 | 103 Ų | 103 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 174.1 | 174.4 | -97 | 0 | 0 | 0 | 112 | E74 L75 M76 R81 K82 | E74-F78 PolarHBondContact O-N 2.94Å; L75-F78 WeakPolarHBondContact O-CB 3.45Å; L75-F78 PolarHBondContact O-N 2.91Å; M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.98Å; F78-R81 PolarHBondContact O-N 3Å; F78-K82 HydrophobicContact CD1-CG 4.23Å; F78-K82 HydrophobicContact CE1-CG 3.75Å; F78-K82 HydrophobicContact CE2-CG 4.17Å; F78-K82 HydrophobicContact CZ-CD 4.16Å; F78-K82 HydrophobicContact CZ-CG 3.72Å; F78-K82 PolarHBondContact O-N 2.91Å |
| 79 | M | 98.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.2 | -72.1 | -176.2 | 70.3 | 0 | 0 | 111.9 | L75 M76 R81 K82 L83 | L75-M79 HydrophobicContact CD1-CG 4.33Å; L75-M79 HydrophobicContact CD1-SD 4.38Å; L75-M79 HydrophobicContact CG-SD 4.24Å; L75-M79 WeakPolarHBondContact O-CG 3.38Å; L75-M79 PolarHBondContact O-N 2.97Å; M76-M79 PolarHBondContact O-N 3.37Å; M79-R81 VanDerWaalsContact C-N 3.29Å; M79-R81 PolarHBondContact O-N 3.41Å; M79-K82 PolarHBondContact O-N 3.46Å; M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 3.41Å |
| 80 | T | 97.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | M76 L83 W84 | M76-T80 PolarHBondContact O-N 3.06Å; M76-T80 PolarHBondContact O-OG1 3.02Å; T80-L83 PolarHBondContact O-N 3.3Å; T80-W84 PolarHBondContact O-N 3.12Å |
| 81 | R | 98.3 | Very high | 95.2 | Very high | 184 Ų | 184 | 106 Ų | 106 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 176.3 | -165.9 | 167.2 | -146.1 | 160.6 | 7.7 | 112 | A77 F78 M79 L83 W84 D85 | A77-R81 PolarHBondContact O-N 2.87Å; A77-R81 VanDerWaalsContact O-N 3.09Å; F78-R81 PolarHBondContact O-N 3Å; M79-R81 VanDerWaalsContact C-N 3.29Å; M79-R81 PolarHBondContact O-N 3.41Å; R81-L83 PolarHBondContact O-N 3.11Å; R81-W84 WeakPolarHBondContact O-CB 3.25Å; R81-W84 PolarHBondContact O-N 3.42Å; R81-D85 VanDerWaalsContact O-CG 3.26Å; R81-D85 PolarHBondContact O-N 3.08Å |
| 82 | K | 98.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 103 Ų | 103 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176 | -74.6 | -60.2 | -172.3 | -173.5 | 0 | 112.9 | F78 M79 W84 D85 L86 | F78-K82 HydrophobicContact CD1-CG 4.23Å; F78-K82 HydrophobicContact CE1-CG 3.75Å; F78-K82 HydrophobicContact CE2-CG 4.17Å; F78-K82 HydrophobicContact CZ-CD 4.16Å; F78-K82 HydrophobicContact CZ-CG 3.72Å; F78-K82 PolarHBondContact O-N 2.91Å; M79-K82 PolarHBondContact O-N 3.46Å; K82-W84 VanDerWaalsContact C-N 3.33Å; K82-D85 PolarHBondContact O-N 3.13Å; K82-L86 WeakPolarHBondContact O-CB 3.4Å; K82-L86 VanDerWaalsContact O-CG 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.35Å; K82-L86 PolarHBondContact O-N 2.91Å |
| 83 | L | 98.7 | Very high | 97.3 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 175 | -74.7 | 171.4 | 0 | 0 | 0 | 111.4 | M79 T80 R81 L86 E87 | M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 3.41Å; T80-L83 PolarHBondContact O-N 3.3Å; R81-L83 PolarHBondContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 3.31Å; L83-E87 WeakPolarHBondContact O-CB 3.31Å; L83-E87 PolarHBondContact O-N 2.95Å |
| 84 | W | 98.7 | Very high | 97.8 | Very high | 161 Ų | 161 | 101.6 Ų | 101.6 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -50.1 | 174.7 | -173.3 | -56.6 | 0 | 0 | 0 | 111.7 | T80 R81 K82 L86 E87 Q88 | T80-W84 PolarHBondContact O-N 3.12Å; R81-W84 WeakPolarHBondContact O-CB 3.25Å; R81-W84 PolarHBondContact O-N 3.42Å; K82-W84 VanDerWaalsContact C-N 3.33Å; W84-L86 VanDerWaalsContact C-N 3.25Å; W84-L86 PolarHBondContact O-N 3.47Å; W84-E87 WeakPolarHBondContact O-CB 3.33Å; W84-E87 PolarHBondContact O-N 3.11Å; W84-E87 VanDerWaalsContact O-N 3.11Å; W84-Q88 WeakPolarHBondContact O-CG 3.41Å; W84-Q88 PolarHBondContact O-N 2.97Å |
| 85 | D | 98.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -179.6 | -67.7 | -20.4 | 0 | 0 | 0 | 110.9 | R81 K82 Q88 Q89 | R81-D85 VanDerWaalsContact O-CG 3.26Å; R81-D85 PolarHBondContact O-N 3.08Å; K82-D85 PolarHBondContact O-N 3.13Å; D85-Q88 PolarHBondContact O-N 3.42Å; D85-Q89 WeakPolarHBondContact O-CB 3.36Å; D85-Q89 PolarHBondContact O-N 3.04Å |
| 86 | L | 98.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -42 | 175.8 | -72.3 | 172.4 | 0 | 0 | 0 | 112.1 | K82 L83 W84 Q88 Q89 V90 | K82-L86 WeakPolarHBondContact O-CB 3.4Å; K82-L86 VanDerWaalsContact O-CG 3.28Å; K82-L86 WeakPolarHBondContact O-CG 3.35Å; K82-L86 PolarHBondContact O-N 2.91Å; L83-L86 PolarHBondContact O-N 3.31Å; W84-L86 VanDerWaalsContact C-N 3.25Å; W84-L86 PolarHBondContact O-N 3.47Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; L86-Q89 PolarHBondContact O-N 3.38Å; L86-V90 WeakPolarHBondContact O-CG2 3.18Å; L86-V90 PolarHBondContact O-N 3.45Å |
| 87 | E | 98.8 | Very high | 98.5 | Very high | 98 Ų | 98 | 99.8 Ų | 99.8 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.8 | -171.3 | -168.5 | 156.8 | 0 | 0 | 111.2 | L83 W84 V90 K91 | L83-E87 WeakPolarHBondContact O-CB 3.31Å; L83-E87 PolarHBondContact O-N 2.95Å; W84-E87 WeakPolarHBondContact O-CB 3.33Å; W84-E87 PolarHBondContact O-N 3.11Å; W84-E87 VanDerWaalsContact O-N 3.11Å; E87-V90 PolarHBondContact O-N 3.25Å; E87-K91 WeakPolarHBondContact O-CG 3.4Å; E87-K91 PolarHBondContact O-N 2.83Å; E87-K91 VanDerWaalsContact OE1-CE 3.31Å; E87-K91 WeakPolarHBondContact OE1-CE 3.49Å; E87-K91 IonicContact OE1-NZ 2.63Å; E87-K91 PolarHBondContact OE1-NZ 3.42Å |
| 88 | Q | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 101.3 Ų | 101.3 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.3 | -64.7 | -58.8 | -37.4 | 0 | 0 | 111.9 | W84 D85 L86 K91 A92 | W84-Q88 WeakPolarHBondContact O-CG 3.41Å; W84-Q88 PolarHBondContact O-N 2.97Å; D85-Q88 PolarHBondContact O-N 3.42Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; Q88-K91 PolarHBondContact O-N 2.82Å; Q88-A92 PolarHBondContact O-N 2.63Å |
| 89 | Q | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.3 | -173.9 | 174.2 | 12.7 | 0 | 0 | 111.7 | D85 L86 K91 A92 Q93 | D85-Q89 WeakPolarHBondContact O-CB 3.36Å; D85-Q89 PolarHBondContact O-N 3.04Å; L86-Q89 PolarHBondContact O-N 3.38Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 2.99Å; Q89-A92 PolarHBondContact O-N 3.36Å; Q89-Q93 WeakPolarHBondContact O-CB 3.43Å; Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.43Å |
| 90 | V | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L86 E87 Q93 T94 | L86-V90 WeakPolarHBondContact O-CG2 3.18Å; L86-V90 PolarHBondContact O-N 3.45Å; E87-V90 PolarHBondContact O-N 3.25Å; V90-Q93 PolarHBondContact O-N 3.44Å; V90-T94 WeakPolarHBondContact O-CB 3.29Å; V90-T94 PolarHBondContact O-N 3.06Å; V90-T94 PolarHBondContact O-OG1 2.97Å |
| 91 | K | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 99.8 Ų | 99.8 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 174.2 | -73.2 | 174.7 | -174.6 | 167.7 | 0 | 111.7 | E87 Q88 Q89 Q93 T94 D95 | E87-K91 WeakPolarHBondContact O-CG 3.4Å; E87-K91 PolarHBondContact O-N 2.83Å; E87-K91 VanDerWaalsContact OE1-CE 3.31Å; E87-K91 WeakPolarHBondContact OE1-CE 3.49Å; E87-K91 IonicContact OE1-NZ 2.63Å; E87-K91 PolarHBondContact OE1-NZ 3.42Å; Q88-K91 PolarHBondContact O-N 2.82Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 2.99Å; K91-Q93 VanDerWaalsContact C-N 3.3Å; K91-Q93 PolarHBondContact O-N 2.84Å; K91-T94 WeakPolarHBondContact O-CB 3.49Å; K91-T94 PolarHBondContact O-N 3.33Å; K91-D95 PolarHBondContact O-N 2.97Å |
| 92 | A | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q88 Q89 T94 D95 E96 | Q88-A92 PolarHBondContact O-N 2.63Å; Q89-A92 PolarHBondContact O-N 3.36Å; A92-T94 VanDerWaalsContact C-N 3.35Å; A92-D95 PolarHBondContact O-N 3Å; A92-E96 WeakPolarHBondContact O-CB 3.44Å; A92-E96 PolarHBondContact O-N 2.96Å |
| 93 | Q | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 175.1 | -75.5 | -178.7 | -23.4 | 0 | 0 | 112.3 | Q89 V90 K91 E96 I97 | Q89-Q93 WeakPolarHBondContact O-CB 3.43Å; Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.43Å; V90-Q93 PolarHBondContact O-N 3.44Å; K91-Q93 VanDerWaalsContact C-N 3.3Å; K91-Q93 PolarHBondContact O-N 2.84Å; Q93-E96 PolarHBondContact O-N 3.34Å; Q93-I97 VanDerWaalsContact O-CG1 3.27Å; Q93-I97 WeakPolarHBondContact O-CG1 3.32Å; Q93-I97 PolarHBondContact O-N 3.34Å |
| 94 | T | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 98 Ų | 98 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | V90 K91 A92 E96 I97 L98 | V90-T94 WeakPolarHBondContact O-CB 3.29Å; V90-T94 PolarHBondContact O-N 3.06Å; V90-T94 PolarHBondContact O-OG1 2.97Å; K91-T94 WeakPolarHBondContact O-CB 3.49Å; K91-T94 PolarHBondContact O-N 3.33Å; A92-T94 VanDerWaalsContact C-N 3.35Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 PolarHBondContact O-N 3.43Å; T94-I97 PolarHBondContact O-N 2.97Å; T94-L98 HydrophobicContact CG2-CD1 4.31Å; T94-L98 WeakPolarHBondContact O-CG 3.26Å; T94-L98 PolarHBondContact O-N 3.07Å |
| 95 | D | 98.8 | Very high | 98.8 | Very high | 107 Ų | 107 | 93 Ų | 93 | 57% | 0.572 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 177.6 | -65.4 | -23.6 | 0 | 0 | 0 | 111.7 | K91 A92 L98 S99 | K91-D95 PolarHBondContact O-N 2.97Å; A92-D95 PolarHBondContact O-N 3Å; D95-L98 PolarHBondContact O-N 3.34Å; D95-S99 WeakPolarHBondContact O-CB 3.19Å; D95-S99 PolarHBondContact O-N 3.25Å |
| 96 | E | 98.9 | Very high | 98.8 | Very high | 101 Ų | 101 | 92.2 Ų | 92.2 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 176 | -171.8 | -175.2 | 173.3 | 0 | 0 | 112 | A92 Q93 T94 S99 K100 | A92-E96 WeakPolarHBondContact O-CB 3.44Å; A92-E96 PolarHBondContact O-N 2.96Å; Q93-E96 PolarHBondContact O-N 3.34Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 PolarHBondContact O-N 3.43Å; E96-S99 PolarHBondContact O-N 2.94Å; E96-K100 HydrophobicContact CG-CD 4.37Å; E96-K100 WeakPolarHBondContact O-CG 3.36Å; E96-K100 PolarHBondContact O-N 2.91Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 2.66Å; E96-K100 PolarHBondContact OE1-NZ 3.43Å |
| 97 | I | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 92 Ų | 92 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 176.3 | -71.6 | 165.7 | 0 | 0 | 0 | 110 | Q93 T94 S99 K100 D101 | Q93-I97 VanDerWaalsContact O-CG1 3.27Å; Q93-I97 WeakPolarHBondContact O-CG1 3.32Å; Q93-I97 PolarHBondContact O-N 3.34Å; T94-I97 PolarHBondContact O-N 2.97Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 2.74Å; I97-K100 CarbonylContact O-C 3.6Å; I97-K100 WeakPolarHBondContact O-CB 3.49Å; I97-K100 PolarHBondContact O-N 2.91Å; I97-D101 PolarHBondContact O-N 2.95Å |
| 98 | L | 98.9 | Very high | 98.7 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 178.6 | -69.3 | 174.3 | 0 | 0 | 0 | 112.1 | T94 D95 D101 Q102 | T94-L98 HydrophobicContact CG2-CD1 4.31Å; T94-L98 WeakPolarHBondContact O-CG 3.26Å; T94-L98 PolarHBondContact O-N 3.07Å; D95-L98 PolarHBondContact O-N 3.34Å; L98-D101 PolarHBondContact O-N 3.38Å; L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 2.92Å; L98-Q102 VanDerWaalsContact O-N 3.11Å |
| 99 | S | 98.8 | Very high | 98.6 | Very high | 74 Ų | 74 | 94.2 Ų | 94.2 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | D95 E96 I97 K103 | D95-S99 WeakPolarHBondContact O-CB 3.19Å; D95-S99 PolarHBondContact O-N 3.25Å; E96-S99 PolarHBondContact O-N 2.94Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 2.74Å; S99-K103 PolarHBondContact O-N 2.96Å; S99-K103 VanDerWaalsContact O-N 3.11Å |
| 100 | K | 98.9 | Very high | 98.4 | Very high | 106 Ų | 106 | 93.2 Ų | 93.2 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 176.6 | -74.7 | 174.3 | -177.3 | 167.7 | 0 | 111.9 | E96 I97 Q102 K103 I104 | E96-K100 HydrophobicContact CG-CD 4.37Å; E96-K100 WeakPolarHBondContact O-CG 3.36Å; E96-K100 PolarHBondContact O-N 2.91Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 2.66Å; E96-K100 PolarHBondContact OE1-NZ 3.43Å; I97-K100 CarbonylContact O-C 3.6Å; I97-K100 WeakPolarHBondContact O-CB 3.49Å; I97-K100 PolarHBondContact O-N 2.91Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; K100-Q102 PolarHBondContact O-N 3.32Å; K100-K103 CarbonylContact O-C 3.59Å; K100-K103 WeakPolarHBondContact O-CB 3.48Å; K100-K103 PolarHBondContact O-N 3.11Å; K100-K103 VanDerWaalsContact O-N 3.12Å; K100-I104 VanDerWaalsContact O-CG1 3.3Å; K100-I104 WeakPolarHBondContact O-CG1 3.3Å; K100-I104 PolarHBondContact O-N 3.42Å |
| 101 | D | 98.8 | Very high | 98.3 | Very high | 87 Ų | 87 | 93.9 Ų | 93.9 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.8 | -71.9 | -15 | 0 | 0 | 0 | 111.4 | I97 L98 K103 I104 A105 | I97-D101 PolarHBondContact O-N 2.95Å; L98-D101 PolarHBondContact O-N 3.38Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 3.2Å; D101-I104 PolarHBondContact O-N 3.05Å; D101-A105 PolarHBondContact O-N 3.39Å |
| 102 | Q | 98.8 | Very high | 97.9 | Very high | 143 Ų | 143 | 95.3 Ų | 95.3 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -42.2 | 173 | -72 | 174.3 | 8.4 | 0 | 0 | 112 | L98 K100 A105 A106 | L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 2.92Å; L98-Q102 VanDerWaalsContact O-N 3.11Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; K100-Q102 PolarHBondContact O-N 3.32Å; Q102-A105 PolarHBondContact O-N 2.92Å; Q102-A106 PolarHBondContact O-N 2.9Å |
| 103 | K | 98.8 | Very high | 97.5 | Very high | 141 Ų | 141 | 96.9 Ų | 96.9 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 177.1 | -175.3 | 176.7 | -179.2 | 178.2 | 0 | 111.7 | S99 K100 D101 A106 L107 | S99-K103 PolarHBondContact O-N 2.96Å; S99-K103 VanDerWaalsContact O-N 3.11Å; K100-K103 CarbonylContact O-C 3.59Å; K100-K103 WeakPolarHBondContact O-CB 3.48Å; K100-K103 PolarHBondContact O-N 3.11Å; K100-K103 VanDerWaalsContact O-N 3.12Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 3.2Å; K103-A106 PolarHBondContact O-N 3.48Å; K103-L107 HydrophobicContact CG-CD1 4.06Å; K103-L107 HydrophobicContact CG-CG 4.41Å; K103-L107 WeakPolarHBondContact O-CB 3.36Å; K103-L107 VanDerWaalsContact O-CG 3.26Å; K103-L107 WeakPolarHBondContact O-CG 3.44Å; K103-L107 PolarHBondContact O-N 3.4Å |
| 104 | I | 98.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 98.1 Ų | 98.1 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 175.8 | -70.3 | 166.2 | 0 | 0 | 0 | 109.2 | K100 D101 A106 L107 E108 | K100-I104 VanDerWaalsContact O-CG1 3.3Å; K100-I104 WeakPolarHBondContact O-CG1 3.3Å; K100-I104 PolarHBondContact O-N 3.42Å; D101-I104 PolarHBondContact O-N 3.05Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 2.66Å; I104-L107 PolarHBondContact O-N 3.02Å; I104-L107 VanDerWaalsContact O-N 3.08Å; I104-E108 HydrophobicContact CG2-CG 4.18Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.49Å; I104-E108 WeakPolarHBondContact O-CG 3.34Å; I104-E108 PolarHBondContact O-N 2.92Å |
| 105 | A | 98.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | D101 Q102 E108 D109 | D101-A105 PolarHBondContact O-N 3.39Å; Q102-A105 PolarHBondContact O-N 2.92Å; A105-E108 PolarHBondContact O-N 3.09Å; A105-D109 PolarHBondContact O-N 3.39Å |
| 106 | A | 98.4 | Very high | 95 | Very high | 63 Ų | 63 | 102.8 Ų | 102.8 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q102 K103 I104 L110 | Q102-A106 PolarHBondContact O-N 2.9Å; K103-A106 PolarHBondContact O-N 3.48Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 2.66Å; A106-L110 PolarHBondContact O-N 3.27Å |
| 107 | L | 98.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 103.5 Ų | 103.5 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.1 | -36.5 | 176.4 | -71.7 | 174.6 | 0 | 0 | 0 | 111.9 | K103 I104 L110 V111 | K103-L107 HydrophobicContact CG-CD1 4.06Å; K103-L107 HydrophobicContact CG-CG 4.41Å; K103-L107 WeakPolarHBondContact O-CB 3.36Å; K103-L107 VanDerWaalsContact O-CG 3.26Å; K103-L107 WeakPolarHBondContact O-CG 3.44Å; K103-L107 PolarHBondContact O-N 3.4Å; I104-L107 PolarHBondContact O-N 3.02Å; I104-L107 VanDerWaalsContact O-N 3.08Å; L107-L110 PolarHBondContact O-N 3.02Å; L107-V111 WeakPolarHBondContact O-CB 3.37Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.27Å; L107-V111 PolarHBondContact O-N 3.2Å |
| 108 | E | 97.2 | Very high | 92.3 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 174.5 | -73.8 | 175.5 | 165.6 | 0 | 0 | 111.4 | I104 A105 V111 Q112 | I104-E108 HydrophobicContact CG2-CG 4.18Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.49Å; I104-E108 WeakPolarHBondContact O-CG 3.34Å; I104-E108 PolarHBondContact O-N 2.92Å; A105-E108 PolarHBondContact O-N 3.09Å; E108-V111 PolarHBondContact O-N 3.5Å; E108-Q112 WeakPolarHBondContact O-CB 3.45Å; E108-Q112 PolarHBondContact O-N 2.87Å |
| 109 | D | 96.8 | Very high | 90.8 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 173.7 | -176.2 | 65.1 | 0 | 0 | 0 | 111.9 | A105 V111 Q112 T113 | A105-D109 PolarHBondContact O-N 3.39Å; D109-V111 VanDerWaalsContact C-N 3.34Å; D109-V111 PolarHBondContact O-N 3.4Å; D109-Q112 WeakPolarHBondContact O-CB 3.49Å; D109-Q112 PolarHBondContact O-N 3.42Å; D109-Q112 VanDerWaalsContact O-N 3.13Å; D109-T113 WeakPolarHBondContact O-CG2 3.43Å; D109-T113 PolarHBondContact O-N 2.98Å; D109-T113 PolarHBondContact O-OG1 3.21Å |
| 110 | L | 96.1 | Very high | 89.6 | Confident | 85 Ų | 85 | 104 Ų | 104 | 45% | 0.445 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.8 | -177.1 | 62 | 0 | 0 | 0 | 112.1 | A106 L107 Q112 T113 L114 | A106-L110 PolarHBondContact O-N 3.27Å; L107-L110 PolarHBondContact O-N 3.02Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.38Å; L110-T113 WeakPolarHBondContact CA-OG1 3.43Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 3.22Å; L110-L114 HydrophobicContact CD1-CD1 3.84Å; L110-L114 HydrophobicContact CD1-CG 3.96Å; L110-L114 HydrophobicContact CD2-CD1 4.43Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.25Å |
| 111 | V | 94.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 101.1 Ų | 101.1 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.4 | -39.6 | 175.4 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | L107 E108 D109 R115 | L107-V111 WeakPolarHBondContact O-CB 3.37Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.27Å; L107-V111 PolarHBondContact O-N 3.2Å; E108-V111 PolarHBondContact O-N 3.5Å; D109-V111 VanDerWaalsContact C-N 3.34Å; D109-V111 PolarHBondContact O-N 3.4Å; V111-R115 WeakPolarHBondContact O-CB 3.34Å; V111-R115 PolarHBondContact O-N 3.39Å |
| 112 | Q | 91.8 | Very high | 87.5 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 179.1 | -173.6 | 58.3 | 36.7 | 0 | 0 | 112.4 | E108 D109 L110 | E108-Q112 WeakPolarHBondContact O-CB 3.45Å; E108-Q112 PolarHBondContact O-N 2.87Å; D109-Q112 WeakPolarHBondContact O-CB 3.49Å; D109-Q112 PolarHBondContact O-N 3.42Å; D109-Q112 VanDerWaalsContact O-N 3.13Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.38Å |
| 113 | T | 89.5 | Confident | 86.7 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.9 | -36.9 | 177 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | D109 L110 R115 | D109-T113 WeakPolarHBondContact O-CG2 3.43Å; D109-T113 PolarHBondContact O-N 2.98Å; D109-T113 PolarHBondContact O-OG1 3.21Å; L110-T113 WeakPolarHBondContact CA-OG1 3.43Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 3.22Å; T113-R115 VanDerWaalsContact C-N 3.33Å |
| 114 | L | 87.7 | Confident | 85.8 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.9 | -16.6 | 177.8 | -68.2 | 177.9 | 0 | 0 | 0 | 113.3 | L110 P116 | L110-L114 HydrophobicContact CD1-CD1 3.84Å; L110-L114 HydrophobicContact CD1-CG 3.96Å; L110-L114 HydrophobicContact CD2-CD1 4.43Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.25Å; L114-P116 WeakPolarHBondContact O-CD 3.37Å; L114-P116 VanDerWaalsContact O-N 3.15Å |
| 115 | R | 84.9 | Confident | 85.1 | Confident | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -66.5 | 112.8 | 177.1 | -164 | 175 | -168.7 | 168.1 | 3.2 | 107.9 | V111 T113 H117 | V111-R115 WeakPolarHBondContact O-CB 3.34Å; V111-R115 PolarHBondContact O-N 3.39Å; T113-R115 VanDerWaalsContact C-N 3.33Å; R115-H117 PolarHBondContact O-N 3.5Å; R115-H117 VanDerWaalsContact O-N 3.11Å |
| 116 | P | 70.9 | Confident | 84.5 | Confident | 96 Ų | 96 | 106.5 Ų | 106.5 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -60.7 | 123.1 | -178.5 | -14.7 | 26.3 | 0 | 0 | 0 | 108.3 | L114 P118 A121 | L114-P116 WeakPolarHBondContact O-CD 3.37Å; L114-P116 VanDerWaalsContact O-N 3.15Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P116-A121 HydrophobicContact CB-CB 4.17Å | ||
| 117 | H | 73.8 | Confident | 83.9 | Confident | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | trans | -65.9 | 123.7 | 169.3 | -163.8 | 57.6 | 0 | 0 | 0 | 106.6 | R115 A119 E120 A121 | R115-H117 PolarHBondContact O-N 3.5Å; R115-H117 VanDerWaalsContact O-N 3.11Å; H117-A119 PolarHBondContact O-N 3Å; H117-E120 HydrophobicContact CB-CB 4.31Å; H117-E120 HydrophobicContact CB-CG 4.16Å; H117-E120 PolarHBondContact O-N 3.01Å; H117-A121 PolarHBondContact O-N 2.95Å; H117-A121 VanDerWaalsContact O-N 3.11Å | ||
| 118 | P | 67.3 | Low | 83.5 | Confident | 97 Ų | 97 | 111.8 Ų | 111.8 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -52.2 | -33.9 | -172.4 | -27 | 32.6 | 0 | 0 | 0 | 112.9 | P116 T122 | P116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-T122 VanDerWaalsContact O-CG2 3.31Å; P118-T122 WeakPolarHBondContact O-CG2 3.31Å; P118-T122 PolarHBondContact O-N 3.13Å; P118-T122 VanDerWaalsContact O-N 3.16Å; P118-T122 PolarHBondContact O-OG1 3.32Å |
| 119 | A | 69.3 | Low | 83.2 | Confident | 47 Ų | 47 | 110.4 Ų | 110.4 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.6 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H117 T122 L123 | H117-A119 PolarHBondContact O-N 3Å; A119-T122 WeakPolarHBondContact CA-OG1 3.46Å; A119-T122 PolarHBondContact O-N 3.48Å; A119-T122 PolarHBondContact O-OG1 2.86Å; A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 3.14Å |
| 120 | E | 73.6 | Confident | 82.9 | Confident | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.6 | -42.3 | 179 | -70.7 | 175.8 | 170.9 | 0 | 0 | 111 | H117 T122 L123 Q124 | H117-E120 HydrophobicContact CB-CB 4.31Å; H117-E120 HydrophobicContact CB-CG 4.16Å; H117-E120 PolarHBondContact O-N 3.01Å; E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 3.35Å; E120-L123 PolarHBondContact O-N 3.39Å; E120-Q124 PolarHBondContact O-N 3.26Å |
| 121 | A | 76.3 | Confident | 82.6 | Confident | 45 Ų | 45 | 111 Ų | 111 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -35.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P116 H117 R125 | P116-A121 HydrophobicContact CB-CB 4.17Å; H117-A121 PolarHBondContact O-N 2.95Å; H117-A121 VanDerWaalsContact O-N 3.11Å; A121-R125 WeakPolarHBondContact O-CB 3.48Å; A121-R125 PolarHBondContact O-N 3.48Å |
| 122 | T | 76.4 | Confident | 82.2 | Confident | 89 Ų | 89 | 113.7 Ų | 113.7 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -38 | 174.6 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | P118 A119 E120 R125 Q126 | P118-T122 VanDerWaalsContact O-CG2 3.31Å; P118-T122 WeakPolarHBondContact O-CG2 3.31Å; P118-T122 PolarHBondContact O-N 3.13Å; P118-T122 VanDerWaalsContact O-N 3.16Å; P118-T122 PolarHBondContact O-OG1 3.32Å; A119-T122 WeakPolarHBondContact CA-OG1 3.46Å; A119-T122 PolarHBondContact O-N 3.48Å; A119-T122 PolarHBondContact O-OG1 2.86Å; E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 3.35Å; T122-R125 PolarHBondContact O-N 3.48Å; T122-Q126 WeakPolarHBondContact O-CB 3.35Å; T122-Q126 PolarHBondContact O-N 3.2Å |
| 123 | L | 81.8 | Confident | 81.5 | Confident | 113 Ų | 113 | 113.1 Ų | 113.1 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -45.5 | 177.6 | -79.5 | 167.7 | 0 | 0 | 0 | 111.5 | A119 E120 R125 Q126 E127 | A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 3.14Å; E120-L123 PolarHBondContact O-N 3.39Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.99Å; L123-Q126 PolarHBondContact O-N 3.12Å; L123-E127 WeakPolarHBondContact O-CB 3.41Å; L123-E127 PolarHBondContact O-N 3.41Å |
| 124 | Q | 80.8 | Confident | 80.3 | Confident | 139 Ų | 139 | 117.4 Ų | 117.4 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.8 | -44.5 | 175.7 | -117.9 | 176.7 | -3 | 0 | 0 | 112 | E120 E127 E128 | E120-Q124 PolarHBondContact O-N 3.26Å; Q124-E127 PolarHBondContact O-N 3.13Å; Q124-E128 PolarHBondContact O-N 2.79Å |
| 125 | R | 83.6 | Confident | 80 | Confident | 175 Ų | 175 | 117.2 Ų | 117.2 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.6 | -37.8 | 178 | -176.4 | 177.3 | -179.4 | -176.9 | 0.5 | 112.4 | A121 T122 L123 L129 | A121-R125 WeakPolarHBondContact O-CB 3.48Å; A121-R125 PolarHBondContact O-N 3.48Å; T122-R125 PolarHBondContact O-N 3.48Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.99Å; R125-L129 HydrophobicContact CG-CD1 4.25Å; R125-L129 VanDerWaalsContact O-CG 3.25Å; R125-L129 WeakPolarHBondContact O-CG 3.42Å; R125-L129 PolarHBondContact O-N 3.24Å; R125-L129 VanDerWaalsContact O-N 3.12Å |
| 126 | Q | 85.4 | Confident | 79.7 | Confident | 105 Ų | 105 | 114 Ų | 114 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 176.3 | 180 | 175.9 | -21.5 | 0 | 0 | 110.8 | T122 L123 E128 L129 E130 | T122-Q126 WeakPolarHBondContact O-CB 3.35Å; T122-Q126 PolarHBondContact O-N 3.2Å; L123-Q126 PolarHBondContact O-N 3.12Å; Q126-E128 PolarHBondContact O-N 2.79Å; Q126-L129 PolarHBondContact O-N 2.88Å; Q126-E130 HydrophobicContact CG-CG 4.44Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.48Å; Q126-E130 PolarHBondContact NE2-OE1 3.02Å; Q126-E130 WeakPolarHBondContact O-CG 3.13Å; Q126-E130 PolarHBondContact O-N 3.26Å |
| 127 | E | 86.1 | Confident | 80.2 | Confident | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 177.5 | -166.7 | 176.6 | -165.5 | 0 | 0 | 111.6 | L123 Q124 L129 E130 T131 | L123-E127 WeakPolarHBondContact O-CB 3.41Å; L123-E127 PolarHBondContact O-N 3.41Å; Q124-E127 PolarHBondContact O-N 3.13Å; E127-L129 PolarHBondContact O-N 2.77Å; E127-E130 PolarHBondContact O-N 3.12Å; E127-T131 WeakPolarHBondContact O-CG2 3.35Å; E127-T131 PolarHBondContact O-N 3.4Å; E127-T131 PolarHBondContact O-OG1 2.99Å |
| 128 | E | 89.3 | Confident | 80.6 | Confident | 135 Ų | 135 | 114.9 Ų | 114.9 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.4 | -47.1 | 172.5 | -83.4 | -174.8 | 157.1 | 0 | 0 | 112.2 | Q124 Q126 E130 T131 M132 | Q124-E128 PolarHBondContact O-N 2.79Å; Q126-E128 PolarHBondContact O-N 2.79Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.18Å; E128-T131 PolarHBondContact O-N 2.85Å; E128-T131 PolarHBondContact O-OG1 2.81Å; E128-M132 PolarHBondContact O-N 3.17Å |
| 129 | L | 90.8 | Very high | 81.4 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 179.6 | -72.3 | 170.3 | 0 | 0 | 0 | 112.2 | R125 Q126 E127 M132 C133 | R125-L129 HydrophobicContact CG-CD1 4.25Å; R125-L129 VanDerWaalsContact O-CG 3.25Å; R125-L129 WeakPolarHBondContact O-CG 3.42Å; R125-L129 PolarHBondContact O-N 3.24Å; R125-L129 VanDerWaalsContact O-N 3.12Å; Q126-L129 PolarHBondContact O-N 2.88Å; E127-L129 PolarHBondContact O-N 2.77Å; L129-M132 PolarHBondContact O-N 3.1Å; L129-C133 PolarHBondContact O-N 3.46Å; L129-C133 PolarHBondContact O-SG 3.18Å |
| 130 | E | 90.9 | Very high | 82.2 | Confident | 107 Ų | 107 | 120.7 Ų | 120.7 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.4 | -44.5 | 175.4 | -75.5 | 176.6 | -166.5 | 0 | 0 | 110.4 | Q126 E127 E128 M132 C133 V134 | Q126-E130 HydrophobicContact CG-CG 4.44Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.48Å; Q126-E130 PolarHBondContact NE2-OE1 3.02Å; Q126-E130 WeakPolarHBondContact O-CG 3.13Å; Q126-E130 PolarHBondContact O-N 3.26Å; E127-E130 PolarHBondContact O-N 3.12Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.18Å; E130-M132 PolarHBondContact O-N 3.04Å; E130-C133 PolarHBondContact O-N 3.41Å; E130-C133 VanDerWaalsContact O-N 3.09Å; E130-V134 VanDerWaalsContact O-CG2 3.29Å; E130-V134 WeakPolarHBondContact O-CG2 3.43Å |
| 131 | T | 90.8 | Very high | 82.8 | Confident | 97 Ų | 97 | 119.9 Ų | 119.9 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.2 | -24.7 | 177.2 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | E127 E128 | E127-T131 WeakPolarHBondContact O-CG2 3.35Å; E127-T131 PolarHBondContact O-N 3.4Å; E127-T131 PolarHBondContact O-OG1 2.99Å; E128-T131 PolarHBondContact O-N 2.85Å; E128-T131 PolarHBondContact O-OG1 2.81Å |
| 132 | M | 84.6 | Confident | 83.3 | Confident | 154 Ų | 154 | 125.7 Ų | 125.7 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -84.9 | -15.7 | 176.3 | -70.7 | -174.2 | 60.7 | 0 | 0 | 114 | E128 L129 E130 | E128-M132 PolarHBondContact O-N 3.17Å; L129-M132 PolarHBondContact O-N 3.1Å; E130-M132 PolarHBondContact O-N 3.04Å |
| 133 | C | 78.4 | Confident | 83.9 | Confident | 113 Ų | 113 | 128.8 Ų | 128.8 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -97.8 | -4.4 | -176.9 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | L129 E130 | L129-C133 PolarHBondContact O-N 3.46Å; L129-C133 PolarHBondContact O-SG 3.18Å; E130-C133 PolarHBondContact O-N 3.41Å; E130-C133 VanDerWaalsContact O-N 3.09Å |
| 134 | V | 64.6 | Low | 84.1 | Confident | 182 Ų | 182 | 130.2 Ų | 130.2 | 100% | 1.103 | 66% | 0.66 | S | S | * | * | trans | -96.9 | 0 | 173.6 | -156.4 | 0 | 0 | 0 | 0 | 110.4 | E130 | E130-V134 VanDerWaalsContact O-CG2 3.29Å; E130-V134 WeakPolarHBondContact O-CG2 3.43Å |
Retrieved 134 of 134 residues in 21.5 ms
(Link to these results)