| 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 | 35.9 | Very low | 38.5 | Very low | 248 Ų | 248 | 170.5 Ų | 170.5 | 100% | 1.222 | 84% | 0.837 | S | S | * | * | 0 | 122.3 | 0 | -85.3 | 175.9 | 169.1 | 0 | 0 | 109.8 | |||||
| 2 | R | 34.3 | Very low | 38.3 | Very low | 246 Ų | 246 | 172.1 Ų | 172.1 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | 57.6 | 81.7 | 168.6 | -64.6 | -176.3 | 178 | 171.7 | 0.4 | 119.2 | ||||
| 3 | Q | 37 | Very low | 38.3 | Very low | 204 Ų | 204 | 169.2 Ų | 169.2 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -63.4 | 123.3 | 147.6 | -72 | 172.2 | -18.5 | 0 | 0 | 109 | ||||
| 4 | R | 40 | Very low | 38.5 | Very low | 237 Ų | 237 | 171.3 Ų | 171.3 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | -93.6 | 101.4 | 166.2 | -86.7 | -179.1 | 167.4 | 169.6 | -3.2 | 108.2 | V6 | R4-V6 PolarHBondContact O-N 3.06Š| ||
| 5 | A | 41.7 | Very low | 38.5 | Very low | 85 Ų | 85 | 168.1 Ų | 168.1 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | trans | -64.4 | 122.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | N7 | A5-N7 VanDerWaalsContact C-N 3.34Å; A5-N7 PolarHBondContact O-N 2.86Å; A5-N7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | V | 41.6 | Very low | 38.6 | Very low | 116 Ų | 116 | 163 Ų | 163 | 70% | 0.703 | 81% | 0.811 | S | S | * | * | trans | -81.5 | 85.9 | 173.6 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | R4 Y8 | R4-V6 PolarHBondContact O-N 3.06Å; V6-Y8 HydrophobicContact CG1-CD2 3.51Å; V6-Y8 HydrophobicContact CG1-CE2 3.82Å; V6-Y8 PolarHBondContact O-N 2.93Å | ||
| 7 | N | 38 | Very low | 38.8 | Very low | 153 Ų | 153 | 167.2 Ų | 167.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 102.7 | 161.2 | -78.1 | -11.5 | 0 | 0 | 0 | 107.5 | A5 A9 | A5-N7 VanDerWaalsContact C-N 3.34Å; A5-N7 PolarHBondContact O-N 2.86Å; A5-N7 VanDerWaalsContact O-N 3.11Å; N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 2.86Å | ||
| 8 | Y | 37.9 | Very low | 39 | Very low | 218 Ų | 218 | 171.2 Ų | 171.2 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -76.2 | 92.2 | 169.8 | -109.3 | -83.1 | 0 | 0 | 0 | 109.6 | V6 | V6-Y8 HydrophobicContact CG1-CD2 3.51Å; V6-Y8 HydrophobicContact CG1-CE2 3.82Å; V6-Y8 PolarHBondContact O-N 2.93Å | ||
| 9 | A | 40.2 | Very low | 39 | Very low | 68 Ų | 68 | 166.8 Ų | 166.8 | 56% | 0.562 | 82% | 0.818 | S | S | * | * | trans | 48.7 | 91.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | N7 I11 | N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 2.86Å; A9-I11 HydrophobicContact CB-CG1 4.45Å; A9-I11 PolarHBondContact O-N 3.24Å | ||
| 10 | D | 36.1 | Very low | 38.9 | Very low | 149 Ų | 149 | 171.5 Ų | 171.5 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -55.8 | 107.5 | 140.1 | -80.6 | -36.4 | 0 | 0 | 0 | 110 | Y12 | D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 4.41Å | ||
| 11 | I | 41.3 | Very low | 39 | Very low | 151 Ų | 151 | 173.5 Ų | 173.5 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | trans | -96.5 | 93.9 | 162.4 | -59.4 | 176.7 | 0 | 0 | 0 | 107.5 | A9 I13 | A9-I11 HydrophobicContact CB-CG1 4.45Å; A9-I11 PolarHBondContact O-N 3.24Å; I11-I13 PolarHBondContact O-N 3.5Å | ||
| 12 | Y | 35.4 | Very low | 39.4 | Very low | 190 Ų | 190 | 167.5 Ų | 167.5 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 111.7 | 171.3 | -99.9 | -97.8 | 0 | 0 | 0 | 110.7 | D10 | D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 4.41Å | ||
| 13 | I | 38.1 | Very low | 39.8 | Very low | 135 Ų | 135 | 162 Ų | 162 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -87.3 | 103.9 | 159.1 | -60.4 | 173.6 | 0 | 0 | 0 | 107.1 | I11 T15 | I11-I13 PolarHBondContact O-N 3.5Å; I13-T15 PolarHBondContact O-N 2.88Å | ||
| 14 | K | 41 | Very low | 39.8 | Very low | 198 Ų | 198 | 162.7 Ų | 162.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 6.8 | -169.2 | -86.5 | -179.1 | 173.8 | 177.9 | 0 | 117.2 | ||
| 15 | T | 39.6 | Very low | 39.7 | Very low | 124 Ų | 124 | 157 Ų | 157 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 4.9 | -168.1 | 50.2 | 0 | 0 | 0 | 0 | 117.4 | I13 Y17 | I13-T15 PolarHBondContact O-N 2.88Å; T15-Y17 PolarHBondContact O-N 2.95Å |
| 16 | A | 39.5 | Very low | 39.4 | Very low | 86 Ų | 86 | 158.8 Ų | 158.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -95.8 | 94 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R18 | A16-R18 PolarHBondContact O-N 3.11Å; A16-R18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | Y | 42.9 | Very low | 39.1 | Very low | 235 Ų | 235 | 160.7 Ų | 160.7 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 23.3 | 177.5 | -106.9 | -83.5 | 0 | 0 | 0 | 115.6 | T15 | T15-Y17 PolarHBondContact O-N 2.95Š| ||
| 18 | R | 40.9 | Very low | 39 | Very low | 238 Ų | 238 | 158 Ų | 158 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -131 | 111.9 | -179.1 | -77 | -174.1 | 175.8 | 179.9 | -0.6 | 113.2 | A16 | A16-R18 PolarHBondContact O-N 3.11Å; A16-R18 VanDerWaalsContact O-N 3.11Å |
| 19 | A | 39.5 | Very low | 38.8 | Very low | 89 Ų | 89 | 159.6 Ų | 159.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 101.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | R21 | A19-R21 PolarHBondContact O-N 2.83Š| ||
| 20 | R | 37.4 | Very low | 38.4 | Very low | 260 Ų | 260 | 167.5 Ų | 167.5 | 98% | 0.981 | 81% | 0.809 | S | S | * | * | trans | -57.6 | 97.1 | 156 | -65.9 | 176.5 | 173.6 | 178.8 | -2.9 | 110.2 | ||||
| 21 | R | 39.9 | Very low | 38.4 | Very low | 214 Ų | 214 | 167 Ų | 167 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -136 | 132.9 | 161.1 | -73.9 | -170.6 | 175.8 | -178.9 | 0.4 | 109.2 | A19 | A19-R21 PolarHBondContact O-N 2.83Š| ||
| 22 | T | 46.2 | Very low | 38.3 | Very low | 122 Ų | 122 | 170.3 Ų | 170.3 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -56.7 | 147.7 | 173.8 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | R24 | T22-R24 PolarHBondContact O-N 3.45Š| ||
| 23 | P | 40.7 | Very low | 38.4 | Very low | 129 Ų | 129 | 170.7 Ų | 170.7 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -61.7 | 108.6 | 176.1 | 25 | -31.7 | 0 | 0 | 0 | 108.7 | V25 | P23-V25 PolarHBondContact O-N 3.34Š| ||
| 24 | R | 37.8 | Very low | 38.4 | Very low | 219 Ų | 219 | 171.6 Ų | 171.6 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -71.3 | 120.3 | 162.5 | -71.7 | -167.7 | -174.7 | -170.4 | 1.8 | 106.5 | T22 C26 | T22-R24 PolarHBondContact O-N 3.45Å; R24-C26 PolarHBondContact O-N 3.48Å | ||
| 25 | V | 37.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 170.1 Ų | 170.1 | 71% | 0.709 | 82% | 0.824 | S | S | * | * | trans | -49.3 | 112.1 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | P23 H27 | P23-V25 PolarHBondContact O-N 3.34Å; V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 2.79Å | ||
| 26 | C | 35.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 168.1 Ų | 168.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 93.3 | 169.5 | 37.3 | 0 | 0 | 0 | 0 | 107.9 | R24 | R24-C26 PolarHBondContact O-N 3.48Š| ||
| 27 | H | 35.8 | Very low | 38 | Very low | 156 Ų | 156 | 172.2 Ų | 172.2 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -66.5 | 132.5 | 155.9 | -79.8 | 29.5 | 0 | 0 | 0 | 107.7 | V25 W29 | V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 2.79Å; H27-W29 PolarHBondContact O-N 2.97Å | ||
| 28 | A | 36.3 | Very low | 38.4 | Very low | 96 Ų | 96 | 165.8 Ų | 165.8 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 133 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | R30 | A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3Å | ||
| 29 | W | 33.2 | Very low | 38.7 | Very low | 252 Ų | 252 | 158.8 Ų | 158.8 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -60.5 | 99 | 172.6 | -78.9 | 73.1 | 0 | 0 | 0 | 108.5 | H27 T31 | H27-W29 PolarHBondContact O-N 2.97Å; W29-T31 PolarHBondContact O-N 3.45Å; W29-T31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | R | 31.7 | Very low | 38.6 | Very low | 233 Ų | 233 | 163.9 Ų | 163.9 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -64.6 | 111.9 | 163 | -138 | 179.3 | -163.4 | 169 | 5 | 106 | A28 R32 | A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3Å; R30-R32 VanDerWaalsContact C-N 3.32Å; R30-R32 PolarHBondContact O-N 3.39Å | ||
| 31 | T | 35.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 160 Ų | 160 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 95.4 | 170.8 | 47.7 | 0 | 0 | 0 | 0 | 108.3 | W29 K33 | W29-T31 PolarHBondContact O-N 3.45Å; W29-T31 VanDerWaalsContact O-N 3.16Å; T31-K33 PolarHBondContact O-N 3.38Å | ||
| 32 | R | 41.1 | Very low | 39.1 | Very low | 221 Ų | 221 | 161.2 Ų | 161.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 120 | 163.2 | -90.8 | -174.2 | 175.2 | 176.2 | -0.8 | 107.1 | R30 L34 | R30-R32 VanDerWaalsContact C-N 3.32Å; R30-R32 PolarHBondContact O-N 3.39Å; R32-L34 PolarHBondContact O-N 2.92Å | ||
| 33 | K | 37.3 | Very low | 39.3 | Very low | 199 Ų | 199 | 162.6 Ų | 162.6 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -53.7 | 83.5 | 166.4 | -153.6 | 177.9 | -170.2 | -179.9 | 0 | 108.9 | T31 M35 | T31-K33 PolarHBondContact O-N 3.38Å; K33-M35 PolarHBondContact O-N 3.45Å | ||
| 34 | L | 38.2 | Very low | 39.4 | Very low | 153 Ų | 153 | 166.6 Ų | 166.6 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -92.1 | 88.4 | 174.8 | -95.7 | 159.5 | 0 | 0 | 0 | 108.4 | R32 S36 | R32-L34 PolarHBondContact O-N 2.92Å; L34-S36 PolarHBondContact O-N 2.83Å | ||
| 35 | M | 33 | Very low | 39.6 | Very low | 167 Ų | 167 | 164.6 Ų | 164.6 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | trans | -75.6 | 90.2 | 164.1 | -69.7 | -78.5 | -72.2 | 0 | 0 | 108.4 | K33 | K33-M35 PolarHBondContact O-N 3.45Š| ||
| 36 | S | 37.2 | Very low | 39.9 | Very low | 83 Ų | 83 | 169.1 Ų | 169.1 | 58% | 0.58 | 81% | 0.808 | S | S | * | * | trans | 178.3 | 134.1 | 140.4 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | L34 T38 | L34-S36 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact O-N 3.33Å; S36-T38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | L | 41 | Very low | 40.4 | Very low | 172 Ų | 172 | 171.3 Ų | 171.3 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 18.3 | -171.7 | -94.1 | 150.4 | 0 | 0 | 0 | 114.8 | ||
| 38 | T | 51.6 | Low | 40.8 | Very low | 100 Ų | 100 | 169.5 Ų | 169.5 | 61% | 0.613 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 3.5 | -173.2 | 46.6 | 0 | 0 | 0 | 0 | 114.9 | S36 F40 | S36-T38 PolarHBondContact O-N 3.33Å; S36-T38 VanDerWaalsContact O-N 3.12Å; T38-F40 VanDerWaalsContact C-N 3.33Å; T38-F40 PolarHBondContact O-N 3.27Å |
| 39 | A | 46 | Very low | 41.3 | Very low | 90 Ų | 90 | 169 Ų | 169 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -82.3 | 2.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 40 | F | 38 | Very low | 42 | Very low | 196 Ų | 196 | 168.4 Ų | 168.4 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 62 | -180 | -72 | -83.1 | 0 | 0 | 0 | 112.5 | T38 | T38-F40 VanDerWaalsContact C-N 3.33Å; T38-F40 PolarHBondContact O-N 3.27Å | ||
| 41 | F | 38.7 | Very low | 42.9 | Very low | 179 Ų | 179 | 166.7 Ų | 166.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -99.2 | 117.1 | 162.3 | -81.7 | -78.3 | 0 | 0 | 0 | 110.3 | N43 | F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 2.86Å | ||
| 42 | R | 48.2 | Very low | 43.4 | Very low | 239 Ų | 239 | 167.4 Ų | 167.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 5.7 | -169.5 | -159.9 | 167.2 | 177.2 | 152.5 | -1.8 | 115.1 | ||
| 43 | N | 51 | Low | 43.8 | Very low | 151 Ų | 151 | 163.4 Ų | 163.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 14.2 | -166.4 | -79.7 | -3.2 | 0 | 0 | 0 | 117.2 | F41 F45 | F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 2.86Å; N43-F45 PolarHBondContact O-N 3.41Å |
| 44 | R | 43.8 | Very low | 44.4 | Very low | 214 Ų | 214 | 157.6 Ų | 157.6 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -91.3 | 13.8 | 179.4 | -133.4 | 179.8 | -170.1 | 165.1 | 5.1 | 115.6 | Y46 | R44-Y46 VanDerWaalsContact C-N 3.32Å; R44-Y46 PolarHBondContact O-N 2.72Å | ||
| 45 | F | 40.7 | Very low | 45 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 1.8 | -173.3 | -106.2 | -86.7 | 0 | 0 | 0 | 115.7 | N43 | N43-F45 PolarHBondContact O-N 3.41Š|
| 46 | Y | 44.9 | Very low | 46.1 | Very low | 212 Ų | 212 | 155.6 Ų | 155.6 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 7 | -175 | -68.8 | -73.2 | 0 | 0 | 0 | 116.4 | R44 I48 | R44-Y46 VanDerWaalsContact C-N 3.32Å; R44-Y46 PolarHBondContact O-N 2.72Å; Y46-I48 PolarHBondContact O-N 2.8Å; Y46-I48 VanDerWaalsContact O-N 3.12Å |
| 47 | E | 45.2 | Very low | 46.8 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -88.3 | 62.5 | 163.4 | -75.8 | -177.4 | 162.4 | 0 | 0 | 110.1 | ||||
| 48 | I | 44.5 | Very low | 47.5 | Very low | 118 Ų | 118 | 159.8 Ų | 159.8 | 61% | 0.605 | 73% | 0.725 | S | S | * | * | trans | -84 | 140.1 | 171.3 | -72.3 | 167 | 0 | 0 | 0 | 107.6 | Y46 | Y46-I48 PolarHBondContact O-N 2.8Å; Y46-I48 VanDerWaalsContact O-N 3.12Å | ||
| 49 | D | 46.7 | Very low | 47.6 | Very low | 85 Ų | 85 | 160.4 Ų | 160.4 | 46% | 0.455 | 73% | 0.731 | S | S | . | * | S | Bend | trans | 97.5 | 17.5 | 152.2 | -77.5 | -1.9 | 0 | 0 | 0 | 125 | ||
| 50 | R | 48.4 | Very low | 48.2 | Very low | 241 Ų | 241 | 162 Ų | 162 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -108.2 | -32.6 | 162 | -72.9 | -170.1 | 179.5 | -174.8 | 1.2 | 116.3 | ||
| 51 | W | 49.9 | Very low | 49.1 | Very low | 197 Ų | 197 | 159.7 Ų | 159.7 | 75% | 0.746 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -15 | 178.9 | 108.8 | -46.5 | 0 | 0 | 0 | 114.2 | ||
| 52 | Y | 46.8 | Very low | 50 | Low | 152 Ų | 152 | 159.7 Ų | 159.7 | 60% | 0.596 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -31.1 | -173 | -155.8 | -97.3 | 0 | 0 | 0 | 112.4 | ||
| 53 | K | 48.3 | Very low | 50.6 | Low | 138 Ų | 138 | 153.5 Ų | 153.5 | 60% | 0.6 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -75.2 | -31.8 | 177.1 | -73.4 | -176.1 | 176.9 | 178.4 | 0 | 113.8 | R55 I56 | K53-R55 PolarHBondContact O-N 3.33Å; K53-R55 VanDerWaalsContact O-N 3.08Å; K53-I56 PolarHBondContact O-N 3.03Å |
| 54 | A | 50 | Low | 51.2 | Low | 77 Ų | 77 | 153.5 Ų | 153.5 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -66.4 | -11 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 55 | R | 51.3 | Low | 52.2 | Low | 154 Ų | 154 | 150.9 Ų | 150.9 | 58% | 0.581 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -94.2 | -8.3 | 177.6 | -114.2 | -176.2 | -70.2 | -171.3 | -6 | 114.3 | K53 | K53-R55 PolarHBondContact O-N 3.33Å; K53-R55 VanDerWaalsContact O-N 3.08Å |
| 56 | I | 55.3 | Low | 53.5 | Low | 123 Ų | 123 | 151.5 Ų | 151.5 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -89.9 | -18 | -173.1 | -60.6 | 175.2 | 0 | 0 | 0 | 111.8 | K53 | K53-I56 PolarHBondContact O-N 3.03Š|
| 57 | E | 52.7 | Low | 54.6 | Low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -102.9 | -0.6 | -173.7 | -73.5 | -178.7 | 167.3 | 0 | 0 | 116.1 | ||
| 58 | K | 55.2 | Low | 55.8 | Low | 169 Ų | 169 | 145.5 Ų | 145.5 | 74% | 0.735 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82 | 124.6 | 169.3 | -74 | -170.6 | 178 | -175.2 | 0 | 108.9 | I60 | K58-I60 PolarHBondContact O-N 2.67Š|
| 59 | P | 53.8 | Low | 57.1 | Low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | -55.4 | 117.2 | 169.7 | 23.6 | -31.3 | 0 | 0 | 0 | 107.2 | I61 | P59-I61 PolarHBondContact O-N 2.8Š| ||
| 60 | I | 59.2 | Low | 58.2 | Low | 123 Ų | 123 | 143.7 Ų | 143.7 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | trans | -67.8 | 92.3 | 176 | -58.7 | 169.9 | 0 | 0 | 0 | 105.2 | K58 Y62 | K58-I60 PolarHBondContact O-N 2.67Å; I60-Y62 HydrophobicContact CG2-CD1 4.09Å; I60-Y62 HydrophobicContact CG2-CD2 4.45Å; I60-Y62 HydrophobicContact CG2-CE1 3.89Å; I60-Y62 HydrophobicContact CG2-CE2 4.27Å; I60-Y62 HydrophobicContact CG2-CG 4.36Å; I60-Y62 WeakPolarHBondContact O-CD2 3.23Å; I60-Y62 PolarHBondContact O-N 3.1Å | ||
| 61 | I | 57 | Low | 59.4 | Low | 149 Ų | 149 | 136.1 Ų | 136.1 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | trans | -67.2 | 96.5 | 165.9 | -57.9 | 172.7 | 0 | 0 | 0 | 104.3 | P59 | P59-I61 PolarHBondContact O-N 2.8Š| ||
| 62 | Y | 56.7 | Low | 60.5 | Low | 179 Ų | 179 | 134.4 Ų | 134.4 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | trans | -58.1 | 128 | 169.3 | -66.4 | -78.9 | 0 | 0 | 0 | 106.8 | I60 Q64 | I60-Y62 HydrophobicContact CG2-CD1 4.09Å; I60-Y62 HydrophobicContact CG2-CD2 4.45Å; I60-Y62 HydrophobicContact CG2-CE1 3.89Å; I60-Y62 HydrophobicContact CG2-CE2 4.27Å; I60-Y62 HydrophobicContact CG2-CG 4.36Å; I60-Y62 WeakPolarHBondContact O-CD2 3.23Å; I60-Y62 PolarHBondContact O-N 3.1Å; Y62-Q64 PolarHBondContact O-N 3.34Å | ||
| 63 | P | 61.7 | Low | 61.6 | Low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | trans | -54.9 | 123.3 | 172.2 | 23.2 | -31.2 | 0 | 0 | 0 | 106.9 | L65 | P63-L65 PolarHBondContact O-N 3.41Š| ||
| 64 | Q | 62.9 | Low | 62.9 | Low | 152 Ų | 152 | 130.7 Ų | 130.7 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | trans | -57 | 108 | 171.6 | -71.3 | 178.8 | -7.3 | 0 | 0 | 106.1 | Y62 Y66 | Y62-Q64 PolarHBondContact O-N 3.34Å; Q64-Y66 VanDerWaalsContact C-N 3.3Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.42Å | ||
| 65 | L | 65.4 | Low | 64.3 | Low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 98.5 | 172 | -71.8 | 168.7 | 0 | 0 | 0 | 105.6 | P63 T67 | P63-L65 PolarHBondContact O-N 3.41Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.15Å | ||
| 66 | Y | 67.2 | Low | 65.9 | Low | 191 Ų | 191 | 127.1 Ų | 127.1 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -62.6 | 102.7 | 167.2 | -67.3 | -83.6 | 0 | 0 | 0 | 106.7 | Q64 I68 | Q64-Y66 VanDerWaalsContact C-N 3.3Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.42Å; Y66-I68 PolarHBondContact O-N 3.01Å | ||
| 67 | T | 68.5 | Low | 67.3 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -66.4 | 93 | 163.5 | 38 | 0 | 0 | 0 | 0 | 106.8 | L65 D69 | L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.15Å; T67-D69 PolarHBondContact O-N 2.96Å; T67-D69 VanDerWaalsContact O-N 3.08Å | ||
| 68 | I | 70.2 | Confident | 68.9 | Low | 118 Ų | 118 | 127.5 Ų | 127.5 | 61% | 0.605 | 65% | 0.647 | S | S | * | * | trans | -62.1 | 108.1 | 166.1 | -61.4 | 177 | 0 | 0 | 0 | 105.3 | Y66 P70 F73 | Y66-I68 PolarHBondContact O-N 3.01Å; I68-P70 WeakPolarHBondContact O-CD 3.4Å; I68-F73 HydrophobicContact CG2-CD2 3.31Å; I68-F73 HydrophobicContact CG2-CE2 3.49Å; I68-F73 VanDerWaalsContact CG2-CE2 3.49Å; I68-F73 HydrophobicContact CG2-CG 4.2Å; I68-F73 HydrophobicContact CG2-CZ 4.48Å | ||
| 69 | D | 71.4 | Confident | 70.3 | Confident | 80 Ų | 80 | 124.3 Ų | 124.3 | 43% | 0.428 | 63% | 0.634 | S | S | . | * | trans | -70.1 | 108.3 | 171.6 | -167.9 | -15.4 | 0 | 0 | 0 | 107.1 | T67 S71 K72 | T67-D69 PolarHBondContact O-N 2.96Å; T67-D69 VanDerWaalsContact O-N 3.08Å; D69-S71 PolarHBondContact O-N 3.2Å; D69-S71 PolarHBondContact OD1-N 3.37Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 2.87Å; D69-K72 HydrophobicContact CB-CD 4.28Å; D69-K72 HydrophobicContact CB-CG 4.27Å; D69-K72 PolarHBondContact O-N 3.45Å | ||
| 70 | P | 69.9 | Low | 71.8 | Confident | 86 Ų | 86 | 126 Ų | 126 | 56% | 0.558 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -59 | -26.6 | -173.2 | 23.7 | -33 | 0 | 0 | 0 | 111.4 | I68 K72 F73 S74 | I68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-K72 PolarHBondContact O-N 2.69Å; P70-K72 VanDerWaalsContact O-N 3.13Å; P70-F73 PolarHBondContact O-N 3.11Å; P70-F73 VanDerWaalsContact O-N 3.16Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.23Å |
| 71 | S | 73.5 | Confident | 73 | Confident | 82 Ų | 82 | 125 Ų | 125 | 57% | 0.573 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -57.8 | -24.6 | 175.1 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | D69 | D69-S71 PolarHBondContact O-N 3.2Å; D69-S71 PolarHBondContact OD1-N 3.37Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 2.87Å |
| 72 | K | 73.4 | Confident | 74.2 | Confident | 161 Ų | 161 | 119.7 Ų | 119.7 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -87.1 | -20.4 | -179.8 | -65.7 | -176.7 | -179.4 | 179.4 | 0 | 114.2 | D69 P70 | D69-K72 HydrophobicContact CB-CD 4.28Å; D69-K72 HydrophobicContact CB-CG 4.27Å; D69-K72 PolarHBondContact O-N 3.45Å; P70-K72 PolarHBondContact O-N 2.69Å; P70-K72 VanDerWaalsContact O-N 3.13Å |
| 73 | F | 70.6 | Confident | 75.2 | Confident | 157 Ų | 157 | 116.6 Ų | 116.6 | 69% | 0.689 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -32.7 | -171.7 | -61.6 | -84.6 | 0 | 0 | 0 | 113.2 | I68 P70 | I68-F73 HydrophobicContact CG2-CD2 3.31Å; I68-F73 HydrophobicContact CG2-CE2 3.49Å; I68-F73 VanDerWaalsContact CG2-CE2 3.49Å; I68-F73 HydrophobicContact CG2-CG 4.2Å; I68-F73 HydrophobicContact CG2-CZ 4.48Å; P70-F73 PolarHBondContact O-N 3.11Å; P70-F73 VanDerWaalsContact O-N 3.16Å |
| 74 | S | 75.5 | Confident | 75.8 | Confident | 55 Ų | 55 | 114.8 Ų | 114.8 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -88.8 | 126.5 | 170.7 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | P70 S76 | P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.23Å; S74-S76 PolarHBondContact O-N 2.88Å |
| 75 | K | 79.2 | Confident | 76.2 | Confident | 104 Ų | 104 | 113 Ų | 113 | 45% | 0.452 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 134.9 | 166.5 | -60.6 | -173.7 | -171.3 | -177 | 0 | 109.2 | E79 R80 E83 | K75-E79 VanDerWaalsContact CA-OE2 3.22Å; K75-E79 WeakPolarHBondContact CA-OE2 3.49Å; K75-E79 HydrophobicContact CB-CB 4.13Å; K75-R80 HydrophobicContact CB-CG 3.95Å; K75-E83 VanDerWaalsContact CD-OE1 3.27Å; K75-E83 WeakPolarHBondContact CD-OE1 3.3Å; K75-E83 VanDerWaalsContact CE-OE1 3.31Å; K75-E83 WeakPolarHBondContact CE-OE1 3.47Å; K75-E83 IonicContact NZ-OE1 3.69Å; K75-E83 PolarHBondContact NZ-OE1 2.62Å; K75-E83 IonicContact NZ-OE2 3.45Å; K75-E83 PolarHBondContact NZ-OE2 3.16Å |
| 76 | S | 85.3 | Confident | 76.3 | Confident | 52 Ų | 52 | 110.3 Ų | 110.3 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 154.9 | 175.8 | 69 | 0 | 0 | 0 | 0 | 110.1 | S74 K78 E79 R80 | S74-S76 PolarHBondContact O-N 2.88Å; S76-K78 PolarHBondContact O-N 3.44Å; S76-E79 PolarHBondContact N-OE2 2.86Å; S76-E79 WeakPolarHBondContact O-CB 3.37Å; S76-E79 PolarHBondContact O-N 2.81Å; S76-E79 VanDerWaalsContact OG-CG 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.22Å; S76-E79 PolarHBondContact OG-N 3.47Å; S76-E79 VanDerWaalsContact OG-N 3.15Å; S76-R80 PolarHBondContact O-N 3.49Å |
| 77 | L | 84.6 | Confident | 75.8 | Confident | 131 Ų | 131 | 110.1 Ų | 110.1 | 69% | 0.686 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.8 | -37.8 | 174.3 | 178.8 | 64.4 | 0 | 0 | 0 | 110.8 | R80 L81 | L77-R80 PolarHBondContact O-N 3.24Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.3Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.49Å |
| 78 | K | 84.7 | Confident | 75.3 | Confident | 173 Ų | 173 | 107.3 Ų | 107.3 | 75% | 0.752 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.6 | -42.5 | 176.2 | -173.3 | 177.5 | -178.8 | 177.5 | 0 | 112.5 | S76 A82 | S76-K78 PolarHBondContact O-N 3.44Å; K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.26Å; K78-A82 PolarHBondContact O-N 2.91Å |
| 79 | E | 85.8 | Confident | 74.8 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -42.6 | 175.5 | -75.8 | 160.2 | -166.3 | 0 | 0 | 111.6 | K75 S76 L81 A82 E83 | K75-E79 VanDerWaalsContact CA-OE2 3.22Å; K75-E79 WeakPolarHBondContact CA-OE2 3.49Å; K75-E79 HydrophobicContact CB-CB 4.13Å; S76-E79 PolarHBondContact N-OE2 2.86Å; S76-E79 WeakPolarHBondContact O-CB 3.37Å; S76-E79 PolarHBondContact O-N 2.81Å; S76-E79 VanDerWaalsContact OG-CG 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.22Å; S76-E79 PolarHBondContact OG-N 3.47Å; S76-E79 VanDerWaalsContact OG-N 3.15Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.74Å; E79-A82 CarbonylContact O-C 3.5Å; E79-A82 PolarHBondContact O-N 2.63Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.93Å |
| 80 | R | 84.8 | Confident | 75 | Confident | 148 Ų | 148 | 108.3 Ų | 108.3 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.1 | -41 | 176.3 | -67 | -175.5 | -178.1 | -175.7 | -2.3 | 112.2 | K75 S76 L77 E83 A84 | K75-R80 HydrophobicContact CB-CG 3.95Å; S76-R80 PolarHBondContact O-N 3.49Å; L77-R80 PolarHBondContact O-N 3.24Å; R80-E83 PolarHBondContact O-N 2.95Å; R80-A84 PolarHBondContact O-N 3.13Å |
| 81 | L | 84.7 | Confident | 75.6 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | 175 | -69.8 | 173.3 | 0 | 0 | 0 | 111.8 | L77 E79 E83 A84 N85 | L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.3Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.49Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.74Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.83Å; L81-A84 PolarHBondContact O-N 3.11Å; L81-N85 PolarHBondContact O-N 2.85Å |
| 82 | A | 81.8 | Confident | 76.4 | Confident | 38 Ų | 38 | 109.3 Ų | 109.3 | 31% | 0.314 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72 | -22.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K78 E79 N85 | K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.26Å; K78-A82 PolarHBondContact O-N 2.91Å; E79-A82 CarbonylContact O-C 3.5Å; E79-A82 PolarHBondContact O-N 2.63Å; A82-N85 CarbonylContact C-O 3.53Å; A82-N85 CarbonylContact O-C 3.56Å |
| 83 | E | 78.8 | Confident | 77.2 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.9 | -35.1 | 169.8 | -76.6 | 173.9 | -176.4 | 0 | 0 | 111.7 | K75 E79 R80 L81 | K75-E83 VanDerWaalsContact CD-OE1 3.27Å; K75-E83 WeakPolarHBondContact CD-OE1 3.3Å; K75-E83 VanDerWaalsContact CE-OE1 3.31Å; K75-E83 WeakPolarHBondContact CE-OE1 3.47Å; K75-E83 IonicContact NZ-OE1 3.69Å; K75-E83 PolarHBondContact NZ-OE1 2.62Å; K75-E83 IonicContact NZ-OE2 3.45Å; K75-E83 PolarHBondContact NZ-OE2 3.16Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.93Å; R80-E83 PolarHBondContact O-N 2.95Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.83Å |
| 84 | A | 74.4 | Confident | 78.2 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.6 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R80 L81 P86 | R80-A84 PolarHBondContact O-N 3.13Å; L81-A84 PolarHBondContact O-N 3.11Å; A84-P86 WeakPolarHBondContact O-CD 3.36Å |
| 85 | N | 71.2 | Confident | 78.9 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -113.8 | 84.6 | 176 | -66.6 | -5.4 | 0 | 0 | 0 | 108.5 | L81 A82 K87 | L81-N85 PolarHBondContact O-N 2.85Å; A82-N85 CarbonylContact C-O 3.53Å; A82-N85 CarbonylContact O-C 3.56Å; N85-K87 PolarHBondContact O-N 3Å |
| 86 | P | 66.5 | Low | 79.4 | Confident | 100 Ų | 100 | 94.4 Ų | 94.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | trans | -54.6 | 119.3 | 178 | 23.5 | -32.3 | 0 | 0 | 0 | 107.6 | A84 D88 | A84-P86 WeakPolarHBondContact O-CD 3.36Å; P86-D88 PolarHBondContact O-N 2.84Å | ||
| 87 | K | 57.8 | Low | 79.4 | Confident | 188 Ų | 188 | 101 Ų | 101 | 82% | 0.817 | 52% | 0.519 | S | S | * | . | trans | -38.2 | 113.8 | -175.3 | -69.5 | 178.3 | 179.4 | 175.2 | 0 | 109.7 | N85 A89 | N85-K87 PolarHBondContact O-N 3Å; K87-A89 PolarHBondContact O-N 3.01Å | ||
| 88 | D | 56.8 | Low | 79.1 | Confident | 77 Ų | 77 | 97.2 Ų | 97.2 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | trans | -36.2 | 109.4 | -177.8 | -54.8 | -30.5 | 0 | 0 | 0 | 110.2 | P86 D90 K91 | P86-D88 PolarHBondContact O-N 2.84Å; D88-D90 PolarHBondContact O-N 2.79Å; D88-K91 HydrophobicContact CB-CG 4.04Å; D88-K91 WeakPolarHBondContact OD2-CE 3.43Å; D88-K91 IonicContact OD2-NZ 3.49Å | ||
| 89 | A | 60.7 | Low | 78.5 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 55% | 0.554 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -58.6 | 132.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | K87 K91 | K87-A89 PolarHBondContact O-N 3.01Å; A89-K91 PolarHBondContact O-N 3.39Å; A89-K91 VanDerWaalsContact O-N 3.14Å |
| 90 | D | 75.2 | Confident | 77.6 | Confident | 152 Ų | 152 | 95.5 Ų | 95.5 | 81% | 0.813 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 20.1 | 78.1 | 170.2 | -60 | -23.6 | 0 | 0 | 0 | 115.4 | D88 I92 | D88-D90 PolarHBondContact O-N 2.79Å; D90-I92 WeakPolarHBondContact O-CG1 3.48Å; D90-I92 PolarHBondContact O-N 2.77Å |
| 91 | K | 83.3 | Confident | 76.5 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | trans | -55.2 | 127 | 175.7 | -67.8 | -171.3 | 169.9 | -169.6 | 0 | 110.5 | D88 A89 E150 N162 F164 | D88-K91 HydrophobicContact CB-CG 4.04Å; D88-K91 WeakPolarHBondContact OD2-CE 3.43Å; D88-K91 IonicContact OD2-NZ 3.49Å; A89-K91 PolarHBondContact O-N 3.39Å; A89-K91 VanDerWaalsContact O-N 3.14Å; K91-E150 IonicContact NZ-OE1 3.79Å; K91-E150 PolarHBondContact NZ-OE1 3.23Å; K91-N162 CarbonylContact C-O 3.22Å; K91-N162 WeakPolarHBondContact CA-O 3.45Å; K91-F164 HydrophobicContact CB-CD1 3.69Å; K91-F164 HydrophobicContact CB-CE1 3.5Å; K91-F164 VanDerWaalsContact CB-CE1 3.5Å; K91-F164 HydrophobicContact CD-CD1 4.41Å | ||
| 92 | I | 89.1 | Confident | 75.1 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.6 | -176.7 | -57 | 174.2 | 0 | 0 | 0 | 109.4 | D90 I94 N162 F164 | D90-I92 WeakPolarHBondContact O-CG1 3.48Å; D90-I92 PolarHBondContact O-N 2.77Å; I92-I94 HydrophobicContact CG2-CG2 4.32Å; I92-N162 PolarHBondContact N-O 3.46Å; I92-F164 WeakPolarHBondContact O-CD1 3.35Å; I92-F164 PolarHBondContact O-N 3.03Å |
| 93 | N | 91.3 | Very high | 73.8 | Confident | 60 Ų | 60 | 107 Ų | 107 | 32% | 0.321 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.4 | 171.1 | -178 | 23.5 | 0 | 0 | 0 | 110 | G95 F164 F165 | N93-G95 PolarHBondContact OD1-N 2.87Å; N93-F164 CarbonylContact C-O 3.58Å; N93-F164 VanDerWaalsContact CA-O 3.25Å; N93-F164 WeakPolarHBondContact CA-O 3.34Å; N93-F164 HydrophobicContact CB-CE1 4.35Å; N93-F164 HydrophobicContact CB-CE2 3.99Å; N93-F164 HydrophobicContact CB-CZ 3.85Å; N93-F164 PolarHBondContact OD1-O 3.47Å; N93-F165 WeakPolarHBondContact OD1-CA 3.49Å |
| 94 | I | 90.6 | Very high | 72.3 | Confident | 22 Ų | 22 | 104.6 Ų | 104.6 | 11% | 0.113 | 54% | 0.537 | C | S | . | . | trans | -91.5 | -8.9 | 179.5 | 62.6 | 171.8 | 0 | 0 | 0 | 113.4 | I92 F159 C163 F164 F165 Y305 P314 | I92-I94 HydrophobicContact CG2-CG2 4.32Å; I94-F159 HydrophobicContact CD1-CB 4.13Å; I94-F159 HydrophobicContact CD1-CD1 3.44Å; I94-F159 VanDerWaalsContact CD1-CD1 3.44Å; I94-F159 HydrophobicContact CD1-CD2 4.16Å; I94-F159 HydrophobicContact CD1-CE1 3.77Å; I94-F159 HydrophobicContact CD1-CE2 4.46Å; I94-F159 HydrophobicContact CD1-CG 3.65Å; I94-F159 HydrophobicContact CD1-CZ 4.27Å; I94-C163 HydrophobicContact CD1-CB 4.43Å; I94-C163 HydrophobicContact CG2-CB 4.22Å; I94-F164 WeakPolarHBondContact CG1-O 3.32Å; I94-F164 PolarHBondContact N-O 3.39Å; I94-F165 HydrophobicContact CD1-CD1 4.34Å; I94-F165 HydrophobicContact CG1-CB 3.99Å; I94-F165 HydrophobicContact CG1-CD1 4.34Å; I94-Y305 HydrophobicContact CB-CE1 4.45Å; I94-Y305 HydrophobicContact CD1-CE1 4.3Å; I94-Y305 PolarHBondContact O-OH 3.08Å; I94-P314 HydrophobicContact CD1-CG 4.03Å; I94-P314 HydrophobicContact CG1-CG 3.88Å | ||
| 95 | G | 90 | Very high | 70.9 | Confident | 13 Ų | 13 | 108.4 Ų | 108.4 | 13% | 0.134 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -104.2 | -169.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N93 | N93-G95 PolarHBondContact OD1-N 2.87Š|
| 96 | F | 89.6 | Confident | 69.8 | Low | 69 Ų | 69 | 111.1 Ų | 111.1 | 30% | 0.303 | 55% | 0.552 | S | S | . | * | trans | -60.3 | 148.7 | 177.3 | -66.6 | -74.8 | 0 | 0 | 0 | 112.3 | W98 V168 K275 T313 A315 | F96-W98 PolarHBondContact O-N 3.34Å; F96-V168 HydrophobicContact CB-CG2 4.11Å; F96-K275 HydrophobicContact CE2-CB 3.82Å; F96-K275 HydrophobicContact CE2-CD 4.16Å; F96-K275 HydrophobicContact CZ-CB 3.81Å; F96-K275 HydrophobicContact CZ-CD 3.71Å; F96-K275 HydrophobicContact CZ-CG 4.25Å; F96-T313 HydrophobicContact CD1-CG2 4.47Å; F96-T313 HydrophobicContact CD2-CG2 4.02Å; F96-T313 HydrophobicContact CE1-CG2 4.17Å; F96-T313 HydrophobicContact CE2-CG2 3.69Å; F96-T313 HydrophobicContact CG-CG2 4.39Å; F96-T313 HydrophobicContact CZ-CG2 3.76Å; F96-A315 HydrophobicContact CD2-CB 4.08Å; F96-A315 HydrophobicContact CE2-CB 3.86Å | ||
| 97 | K | 85.2 | Confident | 69.2 | Low | 189 Ų | 189 | 113.1 Ų | 113.1 | 82% | 0.822 | 56% | 0.557 | S | S | * | * | trans | -68.3 | 123.5 | 173.1 | -175.2 | -179.9 | 179.3 | -177.4 | 0 | 108.9 | A99 | K97-A99 PolarHBondContact O-N 2.7Š| ||
| 98 | W | 78.3 | Confident | 68.9 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 20% | 0.201 | 56% | 0.556 | C | S | . | * | trans | -71.7 | 112.3 | 173.5 | 179.6 | 38.2 | 0 | 0 | 0 | 110.2 | F96 R100 E139 Q143 Y166 | F96-W98 PolarHBondContact O-N 3.34Å; W98-R100 HydrophobicContact CH2-CG 4.5Å; W98-R100 HydrophobicContact CZ2-CB 4.43Å; W98-R100 HydrophobicContact CZ2-CG 4.27Å; W98-R100 PolarHBondContact O-N 2.92Å; W98-E139 VanDerWaalsContact CZ2-O 3.28Å; W98-E139 WeakPolarHBondContact CZ2-O 3.47Å; W98-Q143 HydrophobicContact CH2-CB 4.02Å; W98-Q143 HydrophobicContact CZ3-CB 4.23Å; W98-Y166 HydrophobicContact CB-CD2 4.03Å; W98-Y166 HydrophobicContact CB-CG 4.13Å; W98-Y166 HydrophobicContact CE3-CE1 4.27Å | ||
| 99 | A | 72.3 | Confident | 69.1 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | trans | -83.3 | 96.7 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | K97 N101 | K97-A99 PolarHBondContact O-N 2.7Å; A99-N101 PolarHBondContact O-N 3.49Å | ||
| 100 | R | 67.2 | Low | 69 | Low | 158 Ų | 158 | 121.2 Ų | 121.2 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | trans | -76.4 | 106.9 | 170.2 | -168 | 174.2 | -177.7 | 176.6 | 1.9 | 107.6 | W98 R102 | W98-R100 HydrophobicContact CH2-CG 4.5Å; W98-R100 HydrophobicContact CZ2-CB 4.43Å; W98-R100 HydrophobicContact CZ2-CG 4.27Å; W98-R100 PolarHBondContact O-N 2.92Å; R100-R102 PolarHBondContact O-N 3.12Å | ||
| 101 | N | 62.2 | Low | 68.3 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | trans | -60.1 | 108.7 | 166.8 | -73.2 | -8.2 | 0 | 0 | 0 | 106.6 | A99 E103 | A99-N101 PolarHBondContact O-N 3.49Å; N101-E103 PolarHBondContact O-N 3.38Å | ||
| 102 | R | 56.1 | Low | 67.3 | Low | 234 Ų | 234 | 125.1 Ų | 125.1 | 88% | 0.883 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -77.8 | -7.2 | 175.2 | -69.6 | -177.7 | 177.4 | 178.5 | -1.3 | 111.6 | R100 | R100-R102 PolarHBondContact O-N 3.12Š|
| 103 | E | 53.7 | Low | 66.6 | Low | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | trans | -104 | 33.9 | -175.1 | -63.5 | 174.2 | -179.5 | 0 | 0 | 111.9 | N101 E105 | N101-E103 PolarHBondContact O-N 3.38Å; E103-E105 PolarHBondContact O-N 3.38Å | ||
| 104 | C | 46.7 | Very low | 66.1 | Low | 63 Ų | 63 | 127.4 Ų | 127.4 | 43% | 0.426 | 62% | 0.62 | S | S | . | * | trans | -71.1 | 74.8 | 144.7 | -66.8 | 0 | 0 | 0 | 0 | 105.4 | H106 E139 | C104-H106 PolarHBondContact O-N 2.77Å; C104-H106 VanDerWaalsContact O-N 3.1Å; C104-E139 PolarHBondContact SG-OE1 2.91Å | ||
| 105 | E | 45.6 | Very low | 65.8 | Low | 151 Ų | 151 | 135.9 Ų | 135.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -42.8 | 120.8 | 158.8 | -67.1 | -173.9 | 151.7 | 0 | 0 | 103.9 | E103 D107 | E103-E105 PolarHBondContact O-N 3.38Å; E105-D107 PolarHBondContact O-N 3.14Å | ||
| 106 | H | 48.2 | Very low | 65.5 | Low | 173 Ų | 173 | 139.3 Ų | 139.3 | 80% | 0.801 | 67% | 0.665 | S | S | * | * | trans | -58.1 | 88.9 | 160.8 | -68.6 | -72.2 | 0 | 0 | 0 | 104.1 | C104 E108 | C104-H106 PolarHBondContact O-N 2.77Å; C104-H106 VanDerWaalsContact O-N 3.1Å; H106-E108 PolarHBondContact O-N 2.96Å | ||
| 107 | D | 53 | Low | 65.3 | Low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | -46.3 | 107.8 | 154.8 | -86.4 | -24.9 | 0 | 0 | 0 | 102.4 | E105 I109 | E105-D107 PolarHBondContact O-N 3.14Å; D107-I109 PolarHBondContact O-N 3.25Å | ||
| 108 | E | 52 | Low | 65.4 | Low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -47.2 | 111.6 | -170.5 | -68.8 | 178.7 | 155.7 | 0 | 0 | 105.4 | H106 K110 | H106-E108 PolarHBondContact O-N 2.96Å; E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.32Å | ||
| 109 | I | 60.1 | Low | 66 | Low | 142 Ų | 142 | 136.5 Ų | 136.5 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | trans | -53.2 | 107 | -178.8 | -64.6 | 170.1 | 0 | 0 | 0 | 103.5 | D107 E111 | D107-I109 PolarHBondContact O-N 3.25Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 WeakPolarHBondContact O-CG 3.25Å; I109-E111 PolarHBondContact O-N 3.44Å | ||
| 110 | K | 60.1 | Low | 66.8 | Low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -64.7 | 103.5 | -175.6 | -70.1 | -178.6 | -178.2 | 172.3 | 0 | 104.9 | E108 D112 | E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.32Å; K110-D112 PolarHBondContact O-N 3.22Å | ||
| 111 | E | 60.6 | Low | 67.9 | Low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 2 | -172.7 | -65.9 | -171.8 | 145.9 | 0 | 0 | 113 | I109 | I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 WeakPolarHBondContact O-CG 3.25Å; I109-E111 PolarHBondContact O-N 3.44Å |
| 112 | D | 60.4 | Low | 69.4 | Low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 7.2 | -159.1 | -72.2 | -21.1 | 0 | 0 | 0 | 115.7 | K110 T114 | K110-D112 PolarHBondContact O-N 3.22Å; D112-T114 PolarHBondContact O-N 3.08Å |
| 113 | D | 75.3 | Confident | 70.9 | Confident | 110 Ų | 110 | 137 Ų | 137 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | trans | -77.6 | 80.3 | 170.8 | -87.6 | -7.2 | 0 | 0 | 0 | 110.5 | R115 L116 E117 | D113-R115 PolarHBondContact O-N 3.05Å; D113-L116 HydrophobicContact CB-CB 4.14Å; D113-L116 HydrophobicContact CB-CD1 3.76Å; D113-L116 HydrophobicContact CB-CG 3.93Å; D113-L116 PolarHBondContact O-N 3.04Å; D113-E117 PolarHBondContact O-N 2.87Å; D113-E117 VanDerWaalsContact O-N 3.11Å | ||
| 114 | T | 81.1 | Confident | 72.7 | Confident | 101 Ų | 101 | 132.9 Ų | 132.9 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -48.4 | -28 | 175.3 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | D112 L118 | D112-T114 PolarHBondContact O-N 3.08Å; T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.23Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.98Å |
| 115 | R | 83.6 | Confident | 74.7 | Confident | 199 Ų | 199 | 133.3 Ų | 133.3 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68 | -47.9 | 174.6 | -67.1 | -176.9 | 177.5 | -178 | 0.4 | 112.2 | D113 E117 L118 E119 | D113-R115 PolarHBondContact O-N 3.05Å; R115-E117 VanDerWaalsContact C-N 3.32Å; R115-E117 PolarHBondContact O-N 2.87Å; R115-L118 PolarHBondContact O-N 2.78Å; R115-E119 WeakPolarHBondContact O-CG 3.07Å; R115-E119 PolarHBondContact O-N 2.99Å |
| 116 | L | 84.3 | Confident | 76.8 | Confident | 85 Ų | 85 | 135.3 Ų | 135.3 | 45% | 0.445 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.4 | -38.7 | 177.7 | -66 | 177 | 0 | 0 | 0 | 110.7 | D113 E119 A120 L125 | D113-L116 HydrophobicContact CB-CB 4.14Å; D113-L116 HydrophobicContact CB-CD1 3.76Å; D113-L116 HydrophobicContact CB-CG 3.93Å; D113-L116 PolarHBondContact O-N 3.04Å; L116-E119 PolarHBondContact O-N 3.42Å; L116-A120 VanDerWaalsContact O-CB 3.22Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-L125 HydrophobicContact CD2-CD1 3.61Å |
| 117 | E | 85.7 | Confident | 78.6 | Confident | 98 Ų | 98 | 133.3 Ų | 133.3 | 46% | 0.458 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -58.5 | -49.1 | 172.2 | -175.2 | -82.5 | 159.1 | 0 | 0 | 111.4 | D113 R115 E119 A120 R121 | D113-E117 PolarHBondContact O-N 2.87Å; D113-E117 VanDerWaalsContact O-N 3.11Å; R115-E117 VanDerWaalsContact C-N 3.32Å; R115-E117 PolarHBondContact O-N 2.87Å; E117-E119 PolarHBondContact O-N 2.91Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 IonicContact OE1-NH1 3.9Å |
| 118 | L | 87.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 130.4 Ų | 130.4 | 36% | 0.361 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.7 | -40.9 | -179.8 | -76 | 171.5 | 0 | 0 | 0 | 112 | T114 R115 R121 K122 | T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.23Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.98Å; R115-L118 PolarHBondContact O-N 2.78Å; L118-R121 PolarHBondContact O-N 2.8Å; L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 VanDerWaalsContact O-CG 3.26Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.29Å |
| 119 | E | 89.6 | Confident | 82 | Confident | 86 Ų | 86 | 128 Ų | 128 | 40% | 0.402 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.3 | -40.6 | 177 | -73.3 | -178.9 | -177 | 0 | 0 | 112.2 | R115 L116 E117 R121 K122 R123 T124 L125 | R115-E119 WeakPolarHBondContact O-CG 3.07Å; R115-E119 PolarHBondContact O-N 2.99Å; L116-E119 PolarHBondContact O-N 3.42Å; E117-E119 PolarHBondContact O-N 2.91Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-R123 PolarHBondContact O-N 3.43Å; E119-T124 WeakPolarHBondContact CA-OG1 3.44Å; E119-T124 PolarHBondContact O-N 3.29Å; E119-T124 PolarHBondContact O-OG1 3.42Å; E119-L125 HydrophobicContact CB-CB 4.08Å; E119-L125 HydrophobicContact CB-CD1 4.36Å; E119-L125 PolarHBondContact O-N 3.34Å |
| 120 | A | 89.7 | Confident | 83.2 | Confident | 53 Ų | 53 | 127.9 Ų | 127.9 | 44% | 0.438 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.5 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L116 E117 K122 R123 L125 | L116-A120 VanDerWaalsContact O-CB 3.22Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; E117-A120 PolarHBondContact O-N 3.04Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.12Å; A120-R123 WeakPolarHBondContact O-CA 3.4Å; A120-R123 PolarHBondContact O-N 2.93Å; A120-L125 HydrophobicContact CB-CD2 4.32Å |
| 121 | R | 89.7 | Confident | 84.3 | Confident | 178 Ų | 178 | 124.6 Ų | 124.6 | 67% | 0.672 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -37.4 | 178 | -161.4 | 175.7 | 87.8 | -174.3 | 6.7 | 112.4 | E117 L118 E119 R123 | E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 IonicContact OE1-NH1 3.9Å; L118-R121 PolarHBondContact O-N 2.8Å; E119-R121 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 3.06Å |
| 122 | K | 93.4 | Very high | 85.5 | Confident | 148 Ų | 148 | 119.6 Ų | 119.6 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.6 | -7.9 | 172.8 | -71.4 | 175.1 | -177.3 | 176.8 | 0 | 113.3 | L118 E119 A120 T124 | L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 VanDerWaalsContact O-CG 3.26Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.29Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 PolarHBondContact O-N 3.4Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.12Å; K122-T124 HydrophobicContact CB-CG2 4.05Å; K122-T124 PolarHBondContact O-N 2.92Å |
| 123 | R | 88.6 | Confident | 86.4 | Confident | 233 Ų | 233 | 119.1 Ų | 119.1 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.6 | 32.2 | -172.7 | -54.5 | 178.6 | 178.2 | 171.3 | -1.5 | 113 | E119 A120 R121 | E119-R123 PolarHBondContact O-N 3.43Å; A120-R123 WeakPolarHBondContact O-CA 3.4Å; A120-R123 PolarHBondContact O-N 2.93Å; R121-R123 PolarHBondContact O-N 3.06Å |
| 124 | T | 91.6 | Very high | 86.5 | Confident | 80 Ų | 80 | 119.6 Ų | 119.6 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | trans | -101.2 | -12.6 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | E119 K122 K126 | E119-T124 WeakPolarHBondContact CA-OG1 3.44Å; E119-T124 PolarHBondContact O-N 3.29Å; E119-T124 PolarHBondContact O-OG1 3.42Å; K122-T124 HydrophobicContact CB-CG2 4.05Å; K122-T124 PolarHBondContact O-N 2.92Å; T124-K126 PolarHBondContact O-N 2.79Å | ||
| 125 | L | 87.6 | Confident | 86 | Confident | 71 Ų | 71 | 121.5 Ų | 121.5 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | trans | -59.3 | 125.5 | 179.2 | -175.4 | 67.7 | 0 | 0 | 0 | 110.6 | L116 E119 A120 | L116-L125 HydrophobicContact CD2-CD1 3.61Å; E119-L125 HydrophobicContact CB-CB 4.08Å; E119-L125 HydrophobicContact CB-CD1 4.36Å; E119-L125 PolarHBondContact O-N 3.34Å; A120-L125 HydrophobicContact CB-CD2 4.32Å | ||
| 126 | K | 89.3 | Confident | 85.2 | Confident | 194 Ų | 194 | 113.1 Ų | 113.1 | 84% | 0.843 | 55% | 0.547 | S | S | * | . | trans | -113.8 | 132.9 | 173.7 | -65.9 | -178.7 | -179.2 | -179.9 | 0 | 108.1 | T124 | T124-K126 PolarHBondContact O-N 2.79Š| ||
| 127 | L | 86.5 | Confident | 84.3 | Confident | 131 Ų | 131 | 109.3 Ų | 109.3 | 69% | 0.686 | 53% | 0.528 | S | S | * | . | trans | -88 | 137.9 | 171.7 | -64.6 | 170.9 | 0 | 0 | 0 | 108.4 | L129 | L127-L129 PolarHBondContact O-N 3.06Š| ||
| 128 | D | 88.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | trans | -73 | 117 | 166.8 | -166.6 | -10.7 | 0 | 0 | 0 | 108.5 | Q130 E131 V132 | D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact OD1-N 3.05Å; D128-E131 HydrophobicContact CB-CB 4.37Å; D128-E131 HydrophobicContact CB-CG 4.17Å; D128-V132 VanDerWaalsContact O-CG2 3.26Å; D128-V132 WeakPolarHBondContact O-CG2 3.05Å; D128-V132 PolarHBondContact O-N 3.37Å | ||
| 129 | L | 88.4 | Confident | 82.5 | Confident | 124 Ų | 124 | 112 Ų | 112 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.5 | -26.2 | -178.1 | -61.6 | 178.7 | 0 | 0 | 0 | 111.4 | L127 E133 | L127-L129 PolarHBondContact O-N 3.06Å; L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.33Å |
| 130 | Q | 85.7 | Confident | 82 | Confident | 139 Ų | 139 | 110.3 Ų | 110.3 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.9 | -46.8 | -178.8 | -65.2 | -174.6 | -12.5 | 0 | 0 | 111 | D128 V132 E133 E134 | D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact OD1-N 3.05Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 3.36Å; Q130-E133 PolarHBondContact O-N 2.92Å; Q130-E133 VanDerWaalsContact O-N 3.15Å; Q130-E134 WeakPolarHBondContact O-CG 3.4Å; Q130-E134 PolarHBondContact O-N 2.93Å |
| 131 | E | 83.4 | Confident | 81.6 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 175.4 | -65 | -177.6 | 162.2 | 0 | 0 | 111.2 | D128 E133 E134 E135 | D128-E131 HydrophobicContact CB-CB 4.37Å; D128-E131 HydrophobicContact CB-CG 4.17Å; E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 2.82Å; E131-E134 PolarHBondContact O-N 2.87Å; E131-E135 WeakPolarHBondContact O-CB 2.92Å; E131-E135 PolarHBondContact O-N 3.45Å |
| 132 | V | 84.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 101.4 Ų | 101.4 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | D128 Q130 G136 | D128-V132 VanDerWaalsContact O-CG2 3.26Å; D128-V132 WeakPolarHBondContact O-CG2 3.05Å; D128-V132 PolarHBondContact O-N 3.37Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 3.36Å; V132-G136 VanDerWaalsContact O-CA 3.25Å; V132-G136 WeakPolarHBondContact O-CA 3.11Å; V132-G136 PolarHBondContact O-N 3.02Å |
| 133 | E | 80 | Confident | 81.1 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.6 | -38.4 | 175 | -77.6 | -179.2 | -178.1 | 0 | 0 | 112 | L129 Q130 E131 G137 | L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.33Å; Q130-E133 PolarHBondContact O-N 2.92Å; Q130-E133 VanDerWaalsContact O-N 3.15Å; E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 2.82Å; E133-G137 WeakPolarHBondContact O-CA 3.39Å; E133-G137 PolarHBondContact O-N 3.02Å |
| 134 | E | 76.9 | Confident | 81.1 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.4 | -47.5 | 178.4 | -69.9 | -174.4 | 171.2 | 0 | 0 | 112.5 | Q130 E131 I138 | Q130-E134 WeakPolarHBondContact O-CG 3.4Å; Q130-E134 PolarHBondContact O-N 2.93Å; E131-E134 PolarHBondContact O-N 2.87Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å |
| 135 | E | 72.1 | Confident | 81 | Confident | 142 Ų | 142 | 90.4 Ų | 90.4 | 66% | 0.664 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.1 | -48.6 | 178.1 | -67.5 | -173.9 | 164.1 | 0 | 0 | 111.6 | E131 G137 I138 | E131-E135 WeakPolarHBondContact O-CB 2.92Å; E131-E135 PolarHBondContact O-N 3.45Å; E135-G137 PolarHBondContact O-N 2.75Å; E135-I138 PolarHBondContact O-N 2.87Å; E135-I138 VanDerWaalsContact O-N 3.13Å |
| 136 | G | 66.2 | Low | 81.1 | Confident | 22 Ų | 22 | 88.2 Ų | 88.2 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.8 | -24.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | V132 N140 | V132-G136 VanDerWaalsContact O-CA 3.25Å; V132-G136 WeakPolarHBondContact O-CA 3.11Å; V132-G136 PolarHBondContact O-N 3.02Å; G136-N140 PolarHBondContact O-N 2.87Å |
| 137 | G | 65 | Low | 81.2 | Confident | 5 Ų | 5 | 83.6 Ų | 83.6 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | E133 E135 E139 E141 | E133-G137 WeakPolarHBondContact O-CA 3.39Å; E133-G137 PolarHBondContact O-N 3.02Å; E135-G137 PolarHBondContact O-N 2.75Å; G137-E139 PolarHBondContact O-N 2.95Å; G137-E141 WeakPolarHBondContact CA-OE2 3.29Å; G137-E141 WeakPolarHBondContact O-CB 3.42Å; G137-E141 VanDerWaalsContact O-OE2 3.1Å |
| 138 | I | 67.8 | Low | 81.5 | Confident | 130 Ų | 130 | 80.1 Ų | 80.1 | 67% | 0.667 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.5 | -40.9 | -170.4 | -64.3 | 163.1 | 0 | 0 | 0 | 111.7 | E134 E135 | E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E135-I138 PolarHBondContact O-N 2.87Å; E135-I138 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 68.1 | Low | 81.8 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -91.8 | -52.1 | -171.2 | -69.5 | 179.8 | -160.9 | 0 | 0 | 113.7 | W98 C104 G137 | W98-E139 VanDerWaalsContact CZ2-O 3.28Å; W98-E139 WeakPolarHBondContact CZ2-O 3.47Å; C104-E139 PolarHBondContact SG-OE1 2.91Å; G137-E139 PolarHBondContact O-N 2.95Å |
| 140 | N | 78.8 | Confident | 81.9 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -107.6 | -10.5 | -165.2 | -70.3 | -54.4 | 0 | 0 | 0 | 113.6 | G136 Q143 R144 | G136-N140 PolarHBondContact O-N 2.87Å; N140-Q143 PolarHBondContact O-N 2.94Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 2.8Å |
| 141 | E | 80.9 | Confident | 82.2 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.6 | -50.5 | -177.9 | -163.9 | 179.8 | 173 | 0 | 0 | 112.1 | G137 Q143 R144 L145 N170 | G137-E141 WeakPolarHBondContact CA-OE2 3.29Å; G137-E141 WeakPolarHBondContact O-CB 3.42Å; G137-E141 VanDerWaalsContact O-OE2 3.1Å; E141-Q143 PolarHBondContact O-N 2.84Å; E141-R144 CarbonylContact O-C 3.55Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.28Å; E141-R144 PolarHBondContact O-N 2.94Å; E141-L145 HydrophobicContact CG-CD1 3.88Å; E141-L145 HydrophobicContact CG-CD2 4.24Å; E141-L145 HydrophobicContact CG-CG 3.88Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.87Å; E141-N170 PolarHBondContact OE2-ND2 2.85Å |
| 142 | P | 85.9 | Confident | 82.6 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.4 | -34.7 | -175.9 | -24.5 | 35.1 | 0 | 0 | 0 | 113.2 | K146 P167 | P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 PolarHBondContact O-N 2.81Å; P142-P167 WeakPolarHBondContact CB-O 3.21Å |
| 143 | Q | 87.2 | Confident | 82.9 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 175.9 | -175 | 177 | -6.9 | 0 | 0 | 112 | W98 N140 E141 K146 L147 | W98-Q143 HydrophobicContact CH2-CB 4.02Å; W98-Q143 HydrophobicContact CZ3-CB 4.23Å; N140-Q143 PolarHBondContact O-N 2.94Å; E141-Q143 PolarHBondContact O-N 2.84Å; Q143-K146 PolarHBondContact O-N 2.84Å; Q143-L147 WeakPolarHBondContact O-CG 3.48Å; Q143-L147 PolarHBondContact O-N 3.06Å; Q143-L147 VanDerWaalsContact O-N 3.13Å |
| 144 | R | 87.9 | Confident | 83.5 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 175.2 | -70.8 | 174 | -179.3 | 173.7 | 2.1 | 110.5 | N140 E141 K146 L147 I148 | N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 2.8Å; E141-R144 CarbonylContact O-C 3.55Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.28Å; E141-R144 PolarHBondContact O-N 2.94Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 2.95Å; R144-L147 PolarHBondContact O-N 3.11Å; R144-L147 VanDerWaalsContact O-N 3.12Å; R144-I148 VanDerWaalsContact O-CG1 3.24Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 3.32Å |
| 145 | L | 89.6 | Confident | 84.3 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.7 | -61.9 | -168.4 | 0 | 0 | 0 | 112 | E141 L147 I148 A149 P167 F190 | E141-L145 HydrophobicContact CG-CD1 3.88Å; E141-L145 HydrophobicContact CG-CD2 4.24Å; E141-L145 HydrophobicContact CG-CG 3.88Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.87Å; L145-L147 PolarHBondContact O-N 3.03Å; L145-I148 HydrophobicContact CD2-CD1 4.45Å; L145-I148 PolarHBondContact O-N 2.97Å; L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.38Å; L145-P167 HydrophobicContact CB-CG 3.51Å; L145-P167 HydrophobicContact CD1-CB 4.3Å; L145-P167 HydrophobicContact CD1-CG 3.7Å; L145-P167 HydrophobicContact CG-CG 4.2Å; L145-F190 HydrophobicContact CD1-CD1 4.28Å; L145-F190 HydrophobicContact CD1-CE1 3.44Å; L145-F190 VanDerWaalsContact CD1-CE1 3.44Å; L145-F190 HydrophobicContact CD1-CE2 4.18Å; L145-F190 HydrophobicContact CD1-CZ 3.38Å; L145-F190 HydrophobicContact CD2-CB 4.44Å; L145-F190 HydrophobicContact CD2-CD1 3.53Å; L145-F190 HydrophobicContact CD2-CD2 3.29Å; L145-F190 HydrophobicContact CD2-CE1 3.43Å; L145-F190 VanDerWaalsContact CD2-CE1 3.43Å; L145-F190 HydrophobicContact CD2-CE2 3.21Å; L145-F190 HydrophobicContact CD2-CG 3.46Å; L145-F190 VanDerWaalsContact CD2-CG 3.46Å; L145-F190 HydrophobicContact CD2-CZ 3.26Å; L145-F190 HydrophobicContact CG-CD1 4.4Å; L145-F190 HydrophobicContact CG-CE1 3.98Å; L145-F190 HydrophobicContact CG-CE2 4.28Å; L145-F190 HydrophobicContact CG-CZ 3.92Å |
| 146 | K | 90.8 | Very high | 85.1 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -50.5 | 171.9 | 179.9 | -169.8 | 168.3 | 174.9 | 0 | 111.3 | P142 Q143 R144 I148 A149 E150 Y155 F164 Y166 | P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 PolarHBondContact O-N 2.81Å; Q143-K146 PolarHBondContact O-N 2.84Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 2.95Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 2.85Å; K146-A149 PolarHBondContact O-N 2.57Å; K146-E150 WeakPolarHBondContact CE-OE1 3.44Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 WeakPolarHBondContact O-CB 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.13Å; K146-Y155 HydrophobicContact CG-CE2 4.07Å; K146-F164 HydrophobicContact CD-CD2 3.88Å; K146-F164 HydrophobicContact CD-CE2 4.33Å; K146-F164 VanDerWaalsContact NZ-CD2 3.33Å; K146-F164 VanDerWaalsContact NZ-CE2 3.29Å; K146-Y166 HydrophobicContact CB-CD1 4.33Å; K146-Y166 HydrophobicContact CB-CE1 4.37Å; K146-Y166 HydrophobicContact CD-CD1 4.16Å; K146-Y166 HydrophobicContact CD-CE1 3.53Å |
| 147 | L | 91.2 | Very high | 86.2 | Confident | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | -178.7 | -71.1 | 170 | 0 | 0 | 0 | 112.1 | Q143 R144 L145 H151 | Q143-L147 WeakPolarHBondContact O-CG 3.48Å; Q143-L147 PolarHBondContact O-N 3.06Å; Q143-L147 VanDerWaalsContact O-N 3.13Å; R144-L147 PolarHBondContact O-N 3.11Å; R144-L147 VanDerWaalsContact O-N 3.12Å; L145-L147 PolarHBondContact O-N 3.03Å; L147-H151 WeakPolarHBondContact O-CB 3.24Å; L147-H151 PolarHBondContact O-N 3.08Å |
| 148 | I | 93.4 | Very high | 87.5 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 30% | 0.297 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 176.8 | -59.9 | 166.3 | 0 | 0 | 0 | 109.3 | R144 L145 K146 E150 H151 F152 F190 F319 | R144-I148 VanDerWaalsContact O-CG1 3.24Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 3.32Å; L145-I148 HydrophobicContact CD2-CD1 4.45Å; L145-I148 PolarHBondContact O-N 2.97Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 2.85Å; I148-E150 VanDerWaalsContact C-N 3.34Å; I148-E150 PolarHBondContact O-N 2.71Å; I148-H151 WeakPolarHBondContact O-CA 3.48Å; I148-H151 WeakPolarHBondContact O-CB 3.27Å; I148-H151 PolarHBondContact O-N 3.04Å; I148-F152 HydrophobicContact CG2-CD2 3.74Å; I148-F152 HydrophobicContact CG2-CE2 3.71Å; I148-F152 WeakPolarHBondContact O-CD2 3.25Å; I148-F152 PolarHBondContact O-N 3.11Å; I148-F190 HydrophobicContact CD1-CB 4.47Å; I148-F190 HydrophobicContact CG2-CB 4.17Å; I148-F319 HydrophobicContact CG2-CZ 3.83Å |
| 149 | A | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L145 K146 F152 G153 I154 Y155 L317 | L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.38Å; K146-A149 PolarHBondContact O-N 2.57Å; A149-F152 PolarHBondContact O-N 3.24Å; A149-G153 PolarHBondContact O-N 2.81Å; A149-G153 VanDerWaalsContact O-N 3.13Å; A149-I154 HydrophobicContact CB-CB 4.37Å; A149-I154 HydrophobicContact CB-CD1 4.3Å; A149-I154 PolarHBondContact O-N 3.34Å; A149-Y155 HydrophobicContact CB-CD2 4.11Å; A149-Y155 HydrophobicContact CB-CE2 3.46Å; A149-Y155 VanDerWaalsContact CB-CE2 3.46Å; A149-L317 HydrophobicContact CB-CD2 3.65Å |
| 150 | E | 91 | Very high | 89.2 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 169.5 | -76 | -177.1 | 157.1 | 0 | 0 | 111 | K91 K146 I148 F152 G153 Y155 | K91-E150 IonicContact NZ-OE1 3.79Å; K91-E150 PolarHBondContact NZ-OE1 3.23Å; K146-E150 WeakPolarHBondContact CE-OE1 3.44Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 WeakPolarHBondContact O-CB 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.13Å; I148-E150 VanDerWaalsContact C-N 3.34Å; I148-E150 PolarHBondContact O-N 2.71Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.87Å; E150-G153 PolarHBondContact O-N 2.7Å; E150-G153 VanDerWaalsContact O-N 3.1Å; E150-Y155 HydrophobicContact CG-CD2 3.76Å; E150-Y155 HydrophobicContact CG-CE2 4.01Å |
| 151 | H | 92.1 | Very high | 89.4 | Confident | 160 Ų | 160 | 55.9 Ų | 55.9 | 74% | 0.741 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 177.5 | 179.4 | 58.8 | 0 | 0 | 0 | 112.9 | L147 I148 G153 | L147-H151 WeakPolarHBondContact O-CB 3.24Å; L147-H151 PolarHBondContact O-N 3.08Å; I148-H151 WeakPolarHBondContact O-CA 3.48Å; I148-H151 WeakPolarHBondContact O-CB 3.27Å; I148-H151 PolarHBondContact O-N 3.04Å; H151-G153 PolarHBondContact O-N 2.95Å |
| 152 | F | 92.6 | Very high | 89.5 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.1 | 175.9 | -81.9 | -94.2 | 0 | 0 | 0 | 113.1 | I148 A149 E150 I154 R268 F319 Q321 | I148-F152 HydrophobicContact CG2-CD2 3.74Å; I148-F152 HydrophobicContact CG2-CE2 3.71Å; I148-F152 WeakPolarHBondContact O-CD2 3.25Å; I148-F152 PolarHBondContact O-N 3.11Å; A149-F152 PolarHBondContact O-N 3.24Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.87Å; F152-I154 VanDerWaalsContact C-N 3.31Å; F152-I154 HydrophobicContact CB-CD1 4.14Å; F152-I154 HydrophobicContact CB-CG1 3.97Å; F152-I154 PolarHBondContact O-N 3.03Å; F152-R268 PolarHBondContact O-NH1 3.17Å; F152-F319 HydrophobicContact CB-CE2 4.18Å; F152-F319 HydrophobicContact CB-CZ 4.36Å; F152-F319 AromaticContact CD1-CE2 3.9Å; F152-F319 HydrophobicContact CD1-CE2 3.9Å; F152-F319 AromaticContact CD2-CE2 3.65Å; F152-F319 HydrophobicContact CD2-CE2 3.65Å; F152-F319 AromaticContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CE1-CE2 4.14Å; F152-F319 AromaticContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CZ 4.16Å; F152-F319 AromaticContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CZ 4.05Å; F152-F319 HydrophobicContact CZ-CE2 4.14Å; F152-Q321 HydrophobicContact CE1-CG 4.31Å |
| 153 | G | 91.4 | Very high | 89.6 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A149 E150 H151 Y155 E156 D157 | A149-G153 PolarHBondContact O-N 2.81Å; A149-G153 VanDerWaalsContact O-N 3.13Å; E150-G153 PolarHBondContact O-N 2.7Å; E150-G153 VanDerWaalsContact O-N 3.1Å; H151-G153 PolarHBondContact O-N 2.95Å; G153-Y155 PolarHBondContact O-N 3.2Å; G153-E156 PolarHBondContact O-N 3.24Å; G153-D157 VanDerWaalsContact O-CG 3.3Å; G153-D157 PolarHBondContact O-N 3.18Å |
| 154 | I | 92.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | -172.7 | -65.2 | 175.2 | 0 | 0 | 0 | 111.6 | A149 F152 L158 V270 L317 F319 | A149-I154 HydrophobicContact CB-CB 4.37Å; A149-I154 HydrophobicContact CB-CD1 4.3Å; A149-I154 PolarHBondContact O-N 3.34Å; F152-I154 VanDerWaalsContact C-N 3.31Å; F152-I154 HydrophobicContact CB-CD1 4.14Å; F152-I154 HydrophobicContact CB-CG1 3.97Å; F152-I154 PolarHBondContact O-N 3.03Å; I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.82Å; I154-V270 HydrophobicContact CD1-CG2 4.16Å; I154-V270 HydrophobicContact CG1-CG2 4.23Å; I154-V270 HydrophobicContact CG2-CG1 3.95Å; I154-V270 HydrophobicContact CG2-CG2 4.15Å; I154-L317 HydrophobicContact CG2-CD1 4.37Å; I154-F319 HydrophobicContact CD1-CB 4.17Å; I154-F319 HydrophobicContact CD1-CD1 3.26Å; I154-F319 HydrophobicContact CD1-CD2 3.7Å; I154-F319 HydrophobicContact CD1-CE1 3.37Å; I154-F319 HydrophobicContact CD1-CE2 3.8Å; I154-F319 HydrophobicContact CD1-CG 3.43Å; I154-F319 VanDerWaalsContact CD1-CG 3.43Å; I154-F319 HydrophobicContact CD1-CZ 3.63Å |
| 155 | Y | 92 | Very high | 90 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | -179.6 | -61.4 | -59.1 | 0 | 0 | 0 | 112.2 | K146 A149 E150 G153 D157 F159 E160 C163 F164 F165 | K146-Y155 HydrophobicContact CG-CE2 4.07Å; A149-Y155 HydrophobicContact CB-CD2 4.11Å; A149-Y155 HydrophobicContact CB-CE2 3.46Å; A149-Y155 VanDerWaalsContact CB-CE2 3.46Å; E150-Y155 HydrophobicContact CG-CD2 3.76Å; E150-Y155 HydrophobicContact CG-CE2 4.01Å; G153-Y155 PolarHBondContact O-N 3.2Å; Y155-D157 VanDerWaalsContact C-N 3.3Å; Y155-D157 PolarHBondContact O-N 2.94Å; Y155-F159 PolarHBondContact O-N 2.85Å; Y155-E160 PolarHBondContact O-N 2.97Å; Y155-C163 WeakPolarHBondContact CB-O 3.45Å; Y155-F164 HydrophobicContact CD2-CB 4.42Å; Y155-F164 HydrophobicContact CG-CB 4.48Å; Y155-F165 HydrophobicContact CD1-CD1 4.13Å; Y155-F165 HydrophobicContact CD1-CE1 4.15Å; Y155-F165 AromaticContact CE1-CD1 3.56Å; Y155-F165 HydrophobicContact CE1-CD1 3.56Å; Y155-F165 AromaticContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CG 4.25Å; Y155-F165 HydrophobicContact CE1-CZ 4.26Å; Y155-F165 PolarHBondContact OH-O 3.3Å |
| 156 | E | 89.4 | Confident | 90.1 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 179.9 | -58.5 | -167.8 | -169 | 0 | 0 | 111.2 | G153 E160 K161 | G153-E156 PolarHBondContact O-N 3.24Å; E156-E160 WeakPolarHBondContact O-CA 3.1Å; E156-E160 PolarHBondContact O-N 2.98Å; E156-K161 HydrophobicContact CB-CG 4.3Å; E156-K161 HydrophobicContact CG-CG 4.25Å |
| 157 | D | 90.2 | Very high | 90.1 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 43% | 0.428 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -79.1 | -37.3 | -176.6 | -62.1 | -28.1 | 0 | 0 | 0 | 112.6 | G153 Y155 P222 R268 | G153-D157 VanDerWaalsContact O-CG 3.3Å; G153-D157 PolarHBondContact O-N 3.18Å; Y155-D157 VanDerWaalsContact C-N 3.3Å; Y155-D157 PolarHBondContact O-N 2.94Å; D157-P222 HydrophobicContact CB-CB 4.37Å; D157-R268 IonicContact OD2-CZ 2.74Å; D157-R268 IonicContact OD2-NH1 3.65Å; D157-R268 PolarHBondContact OD2-NH1 3.43Å; D157-R268 IonicContact OD2-NH2 3.69Å; D157-R268 PolarHBondContact OD2-NH2 3.4Å |
| 158 | L | 91.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -89 | -34.6 | -175.3 | -65 | -174.6 | 0 | 0 | 0 | 114.6 | I154 V220 E232 V270 V272 L301 L302 | I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.82Å; L158-V220 HydrophobicContact CD1-CG2 4.44Å; L158-V220 HydrophobicContact CD2-CG2 3.86Å; L158-E232 HydrophobicContact CD2-CG 4.01Å; L158-E232 VanDerWaalsContact CD2-OE1 3.28Å; L158-E232 WeakPolarHBondContact CD2-OE1 3.35Å; L158-E232 WeakPolarHBondContact CD2-OE2 3.47Å; L158-V270 HydrophobicContact CD1-CB 4.26Å; L158-V270 HydrophobicContact CD1-CG1 3.86Å; L158-V272 HydrophobicContact CD1-CG2 4.13Å; L158-L301 HydrophobicContact CB-CD2 4.21Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.23Å; L158-L301 HydrophobicContact CG-CD2 4.38Å; L158-L302 WeakPolarHBondContact O-CB 3.42Å; L158-L302 PolarHBondContact O-N 3.36Å |
| 159 | F | 87.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -130.5 | 3.2 | -169.8 | -63.1 | -78.8 | 0 | 0 | 0 | 114.6 | I94 Y155 C163 F165 F274 L301 Y305 | I94-F159 HydrophobicContact CD1-CB 4.13Å; I94-F159 HydrophobicContact CD1-CD1 3.44Å; I94-F159 VanDerWaalsContact CD1-CD1 3.44Å; I94-F159 HydrophobicContact CD1-CD2 4.16Å; I94-F159 HydrophobicContact CD1-CE1 3.77Å; I94-F159 HydrophobicContact CD1-CE2 4.46Å; I94-F159 HydrophobicContact CD1-CG 3.65Å; I94-F159 HydrophobicContact CD1-CZ 4.27Å; Y155-F159 PolarHBondContact O-N 2.85Å; F159-C163 HydrophobicContact CB-CB 3.77Å; F159-C163 WeakPolarHBondContact O-CB 3.44Å; F159-C163 PolarHBondContact O-SG 2.91Å; F159-F165 HydrophobicContact CD2-CE1 4.45Å; F159-F165 HydrophobicContact CE2-CD1 4.29Å; F159-F165 AromaticContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CZ-CE1 4.31Å; F159-F274 HydrophobicContact CE1-CE1 4.35Å; F159-F274 HydrophobicContact CE1-CZ 4.43Å; F159-F274 HydrophobicContact CZ-CE1 4.13Å; F159-F274 HydrophobicContact CZ-CZ 4.06Å; F159-L301 HydrophobicContact CE2-CD2 4.32Å; F159-L301 HydrophobicContact CZ-CD2 3.95Å; F159-Y305 HydrophobicContact CD1-CD1 4.2Å; F159-Y305 HydrophobicContact CD1-CG 4.35Å; F159-Y305 HydrophobicContact CE1-CD1 4.22Å; F159-Y305 HydrophobicContact CE1-CD2 4.28Å; F159-Y305 AromaticContact CE1-CG 3.94Å; F159-Y305 HydrophobicContact CE1-CG 3.94Å |
| 160 | E | 85.1 | Confident | 89.4 | Confident | 111 Ų | 111 | 48.5 Ų | 48.5 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | trans | 78.2 | 159.6 | -169.3 | -61.6 | 170.8 | -174.4 | 0 | 0 | 115.8 | Y155 E156 N162 C163 L302 | Y155-E160 PolarHBondContact O-N 2.97Å; E156-E160 WeakPolarHBondContact O-CA 3.1Å; E156-E160 PolarHBondContact O-N 2.98Å; E160-N162 PolarHBondContact O-N 3.13Å; E160-C163 PolarHBondContact O-N 3.46Å; E160-C163 VanDerWaalsContact O-N 3.14Å; E160-L302 HydrophobicContact CB-CD1 4.43Å; E160-L302 HydrophobicContact CG-CD1 3.5Å; E160-L302 VanDerWaalsContact CG-CD1 3.5Å | ||
| 161 | K | 82.1 | Confident | 89.4 | Confident | 136 Ų | 136 | 46.3 Ų | 46.3 | 59% | 0.591 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.3 | -170 | -64.9 | -173.8 | 175.4 | -174.7 | 0 | 116 | E156 | E156-K161 HydrophobicContact CB-CG 4.3Å; E156-K161 HydrophobicContact CG-CG 4.25Å |
| 162 | N | 83.3 | Confident | 89.3 | Confident | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -4.2 | -174.3 | -65.1 | -15.2 | 0 | 0 | 0 | 113.2 | K91 I92 E160 | K91-N162 CarbonylContact C-O 3.22Å; K91-N162 WeakPolarHBondContact CA-O 3.45Å; I92-N162 PolarHBondContact N-O 3.46Å; E160-N162 PolarHBondContact O-N 3.13Å |
| 163 | C | 88.7 | Confident | 89.3 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139 | -175.3 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | I94 Y155 F159 E160 | I94-C163 HydrophobicContact CD1-CB 4.43Å; I94-C163 HydrophobicContact CG2-CB 4.22Å; Y155-C163 WeakPolarHBondContact CB-O 3.45Å; F159-C163 HydrophobicContact CB-CB 3.77Å; F159-C163 WeakPolarHBondContact O-CB 3.44Å; F159-C163 PolarHBondContact O-SG 2.91Å; E160-C163 PolarHBondContact O-N 3.46Å; E160-C163 VanDerWaalsContact O-N 3.14Å |
| 164 | F | 91.1 | Very high | 89.4 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.5 | 169 | 70.8 | -83.1 | 0 | 0 | 0 | 110.4 | K91 I92 N93 I94 K146 Y155 Y166 | K91-F164 HydrophobicContact CB-CD1 3.69Å; K91-F164 HydrophobicContact CB-CE1 3.5Å; K91-F164 VanDerWaalsContact CB-CE1 3.5Å; K91-F164 HydrophobicContact CD-CD1 4.41Å; I92-F164 WeakPolarHBondContact O-CD1 3.35Å; I92-F164 PolarHBondContact O-N 3.03Å; N93-F164 CarbonylContact C-O 3.58Å; N93-F164 VanDerWaalsContact CA-O 3.25Å; N93-F164 WeakPolarHBondContact CA-O 3.34Å; N93-F164 HydrophobicContact CB-CE1 4.35Å; N93-F164 HydrophobicContact CB-CE2 3.99Å; N93-F164 HydrophobicContact CB-CZ 3.85Å; N93-F164 PolarHBondContact OD1-O 3.47Å; I94-F164 WeakPolarHBondContact CG1-O 3.32Å; I94-F164 PolarHBondContact N-O 3.39Å; K146-F164 HydrophobicContact CD-CD2 3.88Å; K146-F164 HydrophobicContact CD-CE2 4.33Å; K146-F164 VanDerWaalsContact NZ-CD2 3.33Å; K146-F164 VanDerWaalsContact NZ-CE2 3.29Å; Y155-F164 HydrophobicContact CD2-CB 4.42Å; Y155-F164 HydrophobicContact CG-CB 4.48Å; F164-Y166 HydrophobicContact CD2-CE2 4.35Å; F164-Y166 HydrophobicContact CE2-CD2 4.25Å; F164-Y166 AromaticContact CE2-CE2 3.57Å; F164-Y166 HydrophobicContact CE2-CE2 3.57Å; F164-Y166 AromaticContact CE2-CZ 3.82Å |
| 165 | F | 92.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | trans | -141.4 | 153.8 | 167.1 | 68.5 | -87.7 | 0 | 0 | 0 | 111.3 | N93 I94 Y155 F159 P167 V272 P314 L317 | N93-F165 WeakPolarHBondContact OD1-CA 3.49Å; I94-F165 HydrophobicContact CD1-CD1 4.34Å; I94-F165 HydrophobicContact CG1-CB 3.99Å; I94-F165 HydrophobicContact CG1-CD1 4.34Å; Y155-F165 HydrophobicContact CD1-CD1 4.13Å; Y155-F165 HydrophobicContact CD1-CE1 4.15Å; Y155-F165 AromaticContact CE1-CD1 3.56Å; Y155-F165 HydrophobicContact CE1-CD1 3.56Å; Y155-F165 AromaticContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CG 4.25Å; Y155-F165 HydrophobicContact CE1-CZ 4.26Å; Y155-F165 PolarHBondContact OH-O 3.3Å; F159-F165 HydrophobicContact CD2-CE1 4.45Å; F159-F165 HydrophobicContact CE2-CD1 4.29Å; F159-F165 AromaticContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CZ-CE1 4.31Å; F165-P167 HydrophobicContact CE2-CB 4.28Å; F165-V272 HydrophobicContact CZ-CG1 4.42Å; F165-P314 HydrophobicContact CB-CG 4.12Å; F165-P314 HydrophobicContact CD1-CB 3.86Å; F165-P314 HydrophobicContact CD1-CG 3.99Å; F165-P314 HydrophobicContact CD2-CB 3.96Å; F165-P314 HydrophobicContact CD2-CG 4.42Å; F165-P314 HydrophobicContact CE1-CB 3.94Å; F165-P314 HydrophobicContact CE2-CB 4.04Å; F165-P314 HydrophobicContact CG-CB 3.88Å; F165-P314 HydrophobicContact CG-CG 3.94Å; F165-P314 HydrophobicContact CZ-CB 4.04Å; F165-L317 HydrophobicContact CE2-CB 4.2Å; F165-L317 HydrophobicContact CZ-CB 4.03Å; F165-L317 HydrophobicContact CZ-CD1 4.3Å | ||
| 166 | Y | 91 | Very high | 89.4 | Confident | 46 Ų | 46 | 46 Ų | 46 | 18% | 0.18 | 23% | 0.228 | C | C | . | . | trans | -86.1 | 122.5 | 169.3 | -65.7 | -75.9 | 0 | 0 | 0 | 108.9 | W98 K146 F164 V168 | W98-Y166 HydrophobicContact CB-CD2 4.03Å; W98-Y166 HydrophobicContact CB-CG 4.13Å; W98-Y166 HydrophobicContact CE3-CE1 4.27Å; K146-Y166 HydrophobicContact CB-CD1 4.33Å; K146-Y166 HydrophobicContact CB-CE1 4.37Å; K146-Y166 HydrophobicContact CD-CD1 4.16Å; K146-Y166 HydrophobicContact CD-CE1 3.53Å; F164-Y166 HydrophobicContact CD2-CE2 4.35Å; F164-Y166 HydrophobicContact CE2-CD2 4.25Å; F164-Y166 AromaticContact CE2-CE2 3.57Å; F164-Y166 HydrophobicContact CE2-CE2 3.57Å; F164-Y166 AromaticContact CE2-CZ 3.82Å; Y166-V168 VanDerWaalsContact C-N 3.31Å; Y166-V168 PolarHBondContact O-N 2.8Å | ||
| 167 | P | 90.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | trans | -71.4 | 91.4 | 170.7 | 28.5 | -31.6 | 0 | 0 | 0 | 108.5 | P142 L145 F165 V169 A315 L317 | P142-P167 WeakPolarHBondContact CB-O 3.21Å; L145-P167 HydrophobicContact CB-CG 3.51Å; L145-P167 HydrophobicContact CD1-CB 4.3Å; L145-P167 HydrophobicContact CD1-CG 3.7Å; L145-P167 HydrophobicContact CG-CG 4.2Å; F165-P167 HydrophobicContact CE2-CB 4.28Å; P167-V169 VanDerWaalsContact C-N 3.35Å; P167-A315 CarbonylContact C-O 3.45Å; P167-A315 VanDerWaalsContact CA-O 3.25Å; P167-A315 WeakPolarHBondContact CA-O 3.29Å; P167-L317 HydrophobicContact CB-CB 4.04Å | ||
| 168 | V | 87 | Confident | 89 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 39% | 0.388 | 23% | 0.228 | S | C | . | . | trans | -76.4 | -27.9 | 179.8 | -179.3 | 0 | 0 | 0 | 0 | 111 | F96 Y166 A315 | F96-V168 HydrophobicContact CB-CG2 4.11Å; Y166-V168 VanDerWaalsContact C-N 3.31Å; Y166-V168 PolarHBondContact O-N 2.8Å; V168-A315 PolarHBondContact N-O 3.42Å | ||
| 169 | V | 88.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -98.5 | 118.6 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | P167 L171 Y207 W215 L273 A315 G316 | P167-V169 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact O-N 3.08Å; V169-Y207 HydrophobicContact CG1-CD2 4.47Å; V169-W215 HydrophobicContact CG2-CH2 3.86Å; V169-W215 HydrophobicContact CG2-CZ3 4.16Å; V169-L273 HydrophobicContact CG1-CD2 3.98Å; V169-A315 HydrophobicContact CB-CB 4.39Å; V169-A315 HydrophobicContact CG2-CB 3.95Å; V169-A315 PolarHBondContact N-O 3.33Å; V169-G316 WeakPolarHBondContact O-CA 3.43Å |
| 170 | N | 87.4 | Confident | 88.3 | Confident | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -70.6 | 103.9 | 177 | -70.3 | 8 | 0 | 0 | 0 | 110 | E141 | E141-N170 PolarHBondContact OE2-ND2 2.85Š| ||
| 171 | L | 90.3 | Very high | 88 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | trans | -89.2 | 107.7 | 176.5 | -179.6 | 67.4 | 0 | 0 | 0 | 109.1 | V169 I205 Y207 L217 L271 L273 A318 | V169-L171 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact O-N 3.08Å; L171-I205 HydrophobicContact CD1-CG2 3.57Å; L171-Y207 HydrophobicContact CD1-CD1 4.09Å; L171-L217 HydrophobicContact CD2-CD1 4.44Å; L171-L271 HydrophobicContact CD2-CB 3.94Å; L171-L273 HydrophobicContact CD1-CB 4.38Å; L171-L273 HydrophobicContact CD1-CD2 4.3Å; L171-L273 HydrophobicContact CD2-CB 4.21Å; L171-A318 HydrophobicContact CB-CB 4.46Å; L171-A318 HydrophobicContact CD2-CB 3.9Å; L171-A318 HydrophobicContact CG-CB 4.21Å | ||
| 172 | R | 91 | Very high | 88.1 | Confident | 155 Ų | 155 | 55.8 Ų | 55.8 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.7 | 173.6 | -66.1 | -178.8 | 177.3 | 177.2 | -3 | 108.8 | I205 S206 | R172-I205 WeakPolarHBondContact O-CA 3.3Å; R172-S206 PolarHBondContact N-O 3.17Å; R172-S206 PolarHBondContact O-N 2.98Å |
| 173 | A | 92.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V188 P203 L204 I205 L271 | A173-V188 HydrophobicContact CB-CB 3.91Å; A173-V188 HydrophobicContact CB-CG2 3.9Å; A173-V188 WeakPolarHBondContact O-CB 3.36Å; A173-V188 PolarHBondContact O-N 3.32Å; A173-P203 HydrophobicContact CB-CB 4.32Å; A173-L204 CarbonylContact C-O 3.58Å; A173-L204 WeakPolarHBondContact CA-O 3.47Å; A173-I205 HydrophobicContact CB-CG1 4.13Å; A173-L271 HydrophobicContact CB-CD1 3.79Å |
| 174 | S | 93.4 | Very high | 88 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 132.5 | 177.9 | 57 | 0 | 0 | 0 | 0 | 111.2 | R186 P203 L204 | S174-R186 CarbonylContact C-O 3.57Å; S174-R186 VanDerWaalsContact CA-O 3.29Å; S174-R186 WeakPolarHBondContact CA-O 3.37Å; S174-P203 CarbonylContact O-C 3.56Å; S174-P203 WeakPolarHBondContact O-CA 3.31Å; S174-L204 PolarHBondContact N-O 3.24Å; S174-L204 PolarHBondContact O-N 3.2Å; S174-L204 PolarHBondContact OG-O 3.17Å |
| 175 | F | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.8 | 176 | -70.4 | -78 | 0 | 0 | 0 | 110.2 | Y185 R186 V188 I194 A199 A201 P203 Y255 F320 | F175-Y185 CarbonylContact O-C 3.56Å; F175-Y185 WeakPolarHBondContact O-CA 3.45Å; F175-R186 HydrophobicContact CB-CB 4.47Å; F175-R186 PolarHBondContact N-O 2.98Å; F175-R186 PolarHBondContact O-N 2.81Å; F175-V188 HydrophobicContact CD2-CG2 3.69Å; F175-V188 HydrophobicContact CE2-CG2 3.44Å; F175-V188 VanDerWaalsContact CE2-CG2 3.44Å; F175-I194 HydrophobicContact CD2-CD1 3.83Å; F175-I194 HydrophobicContact CD2-CG2 4.17Å; F175-I194 HydrophobicContact CE2-CD1 3.86Å; F175-I194 HydrophobicContact CE2-CG2 4.41Å; F175-A199 HydrophobicContact CD1-CB 4.07Å; F175-A199 HydrophobicContact CE1-CB 3.78Å; F175-A199 HydrophobicContact CE2-CB 4.38Å; F175-A199 HydrophobicContact CG-CB 4.48Å; F175-A199 HydrophobicContact CZ-CB 3.96Å; F175-A201 WeakPolarHBondContact CD1-O 3.49Å; F175-P203 HydrophobicContact CD1-CB 3.86Å; F175-P203 HydrophobicContact CE1-CB 3.61Å; F175-P203 HydrophobicContact CE1-CG 3.85Å; F175-P203 HydrophobicContact CE2-CB 4.35Å; F175-P203 HydrophobicContact CG-CB 4.33Å; F175-P203 HydrophobicContact CZ-CB 3.88Å; F175-P203 HydrophobicContact CZ-CG 4.04Å; F175-Y255 WeakPolarHBondContact CE1-OH 3.3Å; F175-F320 HydrophobicContact CE2-CD1 4.33Å; F175-F320 AromaticContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE2 4.26Å; F175-F320 AromaticContact CE2-CZ 3.78Å; F175-F320 HydrophobicContact CE2-CZ 3.78Å; F175-F320 AromaticContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE2 4.37Å; F175-F320 AromaticContact CZ-CZ 3.6Å; F175-F320 HydrophobicContact CZ-CZ 3.6Å |
| 176 | S | 90.9 | Very high | 87.7 | Confident | 43 Ų | 43 | 69 Ų | 69 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.9 | 171.2 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 177 | V | 88.2 | Confident | 87.7 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.4 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | T179 A184 R186 E198 | V177-T179 HydrophobicContact CG1-CG2 4.18Å; V177-T179 PolarHBondContact O-N 3.41Å; V177-A184 PolarHBondContact N-O 2.9Å; V177-A184 PolarHBondContact O-N 3.14Å; V177-R186 HydrophobicContact CG2-CB 4.34Å; V177-R186 HydrophobicContact CG2-CG 3.66Å; V177-E198 HydrophobicContact CG1-CG 4.24Å; V177-E198 HydrophobicContact CG2-CB 3.78Å; V177-E198 HydrophobicContact CG2-CG 3.77Å |
| 178 | D | 83.8 | Confident | 87.8 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 74% | 0.738 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 110.3 | 174.7 | -62.9 | -30.7 | 0 | 0 | 0 | 108.8 | ||
| 179 | T | 83.7 | Confident | 87.8 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 160.8 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 110 | V177 D181 G182 A184 | V177-T179 HydrophobicContact CG1-CG2 4.18Å; V177-T179 PolarHBondContact O-N 3.41Å; T179-D181 PolarHBondContact O-N 2.85Å; T179-D181 VanDerWaalsContact O-N 3.11Å; T179-G182 CarbonylContact C-O 3.57Å; T179-G182 WeakPolarHBondContact CA-O 3.35Å; T179-G182 PolarHBondContact N-O 2.95Å; T179-G182 PolarHBondContact O-N 2.89Å; T179-G182 PolarHBondContact OG1-O 2.85Å; T179-A184 HydrophobicContact CG2-CB 4.2Å |
| 180 | E | 80.6 | Confident | 87.9 | Confident | 204 Ų | 204 | 73.4 Ų | 73.4 | 95% | 0.953 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.1 | 178.8 | -63.6 | -179 | -179 | 0 | 0 | 112.4 | ||
| 181 | D | 78.6 | Confident | 88 | Confident | 165 Ų | 165 | 71.6 Ų | 71.6 | 88% | 0.882 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.5 | -179.6 | -62.3 | -42.7 | 0 | 0 | 0 | 114.1 | T179 | T179-D181 PolarHBondContact O-N 2.85Å; T179-D181 VanDerWaalsContact O-N 3.11Å |
| 182 | G | 83.6 | Confident | 88.2 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128 | -167.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T179 A184 | T179-G182 CarbonylContact C-O 3.57Å; T179-G182 WeakPolarHBondContact CA-O 3.35Å; T179-G182 PolarHBondContact N-O 2.95Å; T179-G182 PolarHBondContact O-N 2.89Å; T179-G182 PolarHBondContact OG1-O 2.85Å; G182-A184 PolarHBondContact O-N 2.9Å |
| 183 | V | 83 | Confident | 88.4 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 111 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | Y185 | V183-Y185 HydrophobicContact CG1-CE2 4.41Å |
| 184 | A | 86.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V177 T179 G182 | V177-A184 PolarHBondContact N-O 2.9Å; V177-A184 PolarHBondContact O-N 3.14Å; T179-A184 HydrophobicContact CG2-CB 4.2Å; G182-A184 PolarHBondContact O-N 2.9Å |
| 185 | Y | 87.5 | Confident | 88.4 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.1 | 175.7 | -65.7 | -83.6 | 0 | 0 | 0 | 110.5 | F175 V183 P187 L204 | F175-Y185 CarbonylContact O-C 3.56Å; F175-Y185 WeakPolarHBondContact O-CA 3.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.41Å; Y185-P187 WeakPolarHBondContact O-CD 3.41Å; Y185-L204 HydrophobicContact CE1-CD2 4.49Å |
| 186 | R | 90.4 | Very high | 88.4 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 107.4 | 174.2 | -73.1 | -65.6 | -160.9 | -166.4 | -5 | 109.8 | S174 F175 V177 E198 | S174-R186 CarbonylContact C-O 3.57Å; S174-R186 VanDerWaalsContact CA-O 3.29Å; S174-R186 WeakPolarHBondContact CA-O 3.37Å; F175-R186 HydrophobicContact CB-CB 4.47Å; F175-R186 PolarHBondContact N-O 2.98Å; F175-R186 PolarHBondContact O-N 2.81Å; V177-R186 HydrophobicContact CG2-CB 4.34Å; V177-R186 HydrophobicContact CG2-CG 3.66Å; R186-E198 IonicContact CZ-OE1 3.68Å; R186-E198 IonicContact NE-OE1 3.75Å; R186-E198 PolarHBondContact NE-OE1 3.11Å; R186-E198 VanDerWaalsContact NE-OE1 3.11Å; R186-E198 IonicContact NH2-OE1 3.83Å |
| 187 | P | 91.4 | Very high | 88.4 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.6 | 177.4 | 28 | -33.8 | 0 | 0 | 0 | 111.6 | Y185 Y189 N192 | Y185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-Y189 HydrophobicContact CB-CE2 4.05Å; P187-Y189 HydrophobicContact CG-CD2 4.48Å; P187-Y189 HydrophobicContact CG-CE2 3.62Å; P187-N192 PolarHBondContact O-ND2 3.48Å |
| 188 | V | 92.6 | Very high | 88.6 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.7 | 169.4 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | A173 F175 I194 A318 F320 | A173-V188 HydrophobicContact CB-CB 3.91Å; A173-V188 HydrophobicContact CB-CG2 3.9Å; A173-V188 WeakPolarHBondContact O-CB 3.36Å; A173-V188 PolarHBondContact O-N 3.32Å; F175-V188 HydrophobicContact CD2-CG2 3.69Å; F175-V188 HydrophobicContact CE2-CG2 3.44Å; F175-V188 VanDerWaalsContact CE2-CG2 3.44Å; V188-I194 HydrophobicContact CB-CD1 4.46Å; V188-I194 HydrophobicContact CG2-CD1 3.71Å; V188-A318 HydrophobicContact CG1-CB 4.37Å; V188-F320 HydrophobicContact CG1-CB 4.14Å; V188-F320 HydrophobicContact CG1-CD1 3.72Å; V188-F320 HydrophobicContact CG1-CG 4.35Å; V188-F320 HydrophobicContact CG2-CD1 4.2Å |
| 189 | Y | 87.4 | Confident | 89 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | trans | -106.4 | -131.8 | 174 | -65.9 | -75.1 | 0 | 0 | 0 | 109.3 | P187 N192 F319 | P187-Y189 HydrophobicContact CB-CE2 4.05Å; P187-Y189 HydrophobicContact CG-CD2 4.48Å; P187-Y189 HydrophobicContact CG-CE2 3.62Å; Y189-N192 PolarHBondContact N-OD1 3.23Å; Y189-F319 CarbonylContact C-O 3.54Å; Y189-F319 PolarHBondContact O-N 3.25Å | ||
| 190 | F | 89.2 | Confident | 89.3 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 69 | -174.6 | -51.4 | -72.9 | 0 | 0 | 0 | 109.8 | L145 I148 L317 F319 | L145-F190 HydrophobicContact CD1-CD1 4.28Å; L145-F190 HydrophobicContact CD1-CE1 3.44Å; L145-F190 VanDerWaalsContact CD1-CE1 3.44Å; L145-F190 HydrophobicContact CD1-CE2 4.18Å; L145-F190 HydrophobicContact CD1-CZ 3.38Å; L145-F190 HydrophobicContact CD2-CB 4.44Å; L145-F190 HydrophobicContact CD2-CD1 3.53Å; L145-F190 HydrophobicContact CD2-CD2 3.29Å; L145-F190 HydrophobicContact CD2-CE1 3.43Å; L145-F190 VanDerWaalsContact CD2-CE1 3.43Å; L145-F190 HydrophobicContact CD2-CE2 3.21Å; L145-F190 HydrophobicContact CD2-CG 3.46Å; L145-F190 VanDerWaalsContact CD2-CG 3.46Å; L145-F190 HydrophobicContact CD2-CZ 3.26Å; L145-F190 HydrophobicContact CG-CD1 4.4Å; L145-F190 HydrophobicContact CG-CE1 3.98Å; L145-F190 HydrophobicContact CG-CE2 4.28Å; L145-F190 HydrophobicContact CG-CZ 3.92Å; I148-F190 HydrophobicContact CD1-CB 4.47Å; I148-F190 HydrophobicContact CG2-CB 4.17Å; F190-L317 WeakPolarHBondContact CE1-O 3.36Å; F190-F319 VanDerWaalsContact C-CE2 3.43Å; F190-F319 HydrophobicContact CB-CE1 3.94Å; F190-F319 HydrophobicContact CB-CZ 3.95Å; F190-F319 HydrophobicContact CD1-CD1 4.46Å; F190-F319 HydrophobicContact CD1-CE1 4.21Å |
| 191 | G | 90.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.4 | 17.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F319 | G191-F319 PolarHBondContact N-O 3.44Å |
| 192 | N | 94.2 | Very high | 90.4 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 152.2 | 170.8 | 63 | -52.6 | 0 | 0 | 0 | 111.3 | P187 Y189 F320 Q321 | P187-N192 PolarHBondContact O-ND2 3.48Å; Y189-N192 PolarHBondContact N-OD1 3.23Å; N192-F320 WeakPolarHBondContact O-CA 3.43Å; N192-F320 WeakPolarHBondContact O-CB 3.29Å; N192-Q321 PolarHBondContact O-N 2.82Å |
| 193 | L | 94.8 | Very high | 90.9 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.2 | 176.7 | -173.1 | 70.7 | 0 | 0 | 0 | 109.8 | L266 Q321 | L193-L266 HydrophobicContact CD1-CD2 3.67Å; L193-Q321 WeakPolarHBondContact CA-O 3.46Å; L193-Q321 HydrophobicContact CD1-CB 4.36Å |
| 194 | I | 93.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | trans | -128 | 133.8 | 174.4 | -57.8 | -178.7 | 0 | 0 | 0 | 107.4 | F175 V188 E198 A199 F320 Q321 C322 | F175-I194 HydrophobicContact CD2-CD1 3.83Å; F175-I194 HydrophobicContact CD2-CG2 4.17Å; F175-I194 HydrophobicContact CE2-CD1 3.86Å; F175-I194 HydrophobicContact CE2-CG2 4.41Å; V188-I194 HydrophobicContact CB-CD1 4.46Å; V188-I194 HydrophobicContact CG2-CD1 3.71Å; I194-E198 HydrophobicContact CG2-CB 4.04Å; I194-A199 HydrophobicContact CG2-CB 4.23Å; I194-F320 HydrophobicContact CB-CD2 3.8Å; I194-F320 HydrophobicContact CB-CE2 4.32Å; I194-F320 HydrophobicContact CB-CG 4.47Å; I194-F320 HydrophobicContact CD1-CB 3.77Å; I194-F320 HydrophobicContact CD1-CD1 4.38Å; I194-F320 HydrophobicContact CD1-CD2 3.96Å; I194-F320 HydrophobicContact CD1-CG 3.8Å; I194-F320 HydrophobicContact CG1-CB 4.09Å; I194-F320 HydrophobicContact CG1-CD2 4.14Å; I194-F320 HydrophobicContact CG1-CG 4.31Å; I194-Q321 PolarHBondContact N-O 3.33Å; I194-C322 WeakPolarHBondContact O-CA 3.34Å; I194-C322 PolarHBondContact O-SG 3.2Å | ||
| 195 | T | 93.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | trans | -79.9 | 149.1 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | T197 E198 A199 | T195-T197 PolarHBondContact O-N 2.89Å; T195-T197 VanDerWaalsContact O-N 3.13Å; T195-E198 PolarHBondContact N-OE2 3.23Å; T195-E198 PolarHBondContact O-N 2.85Å; T195-E198 WeakPolarHBondContact OG1-CG 3.44Å; T195-E198 PolarHBondContact OG1-N 3.36Å; T195-E198 PolarHBondContact OG1-OE2 3.38Å; T195-A199 PolarHBondContact O-N 3.23Å | ||
| 196 | P | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.5 | 173.5 | -27.1 | 36.1 | 0 | 0 | 0 | 113.6 | A199 C200 P260 C322 E323 D325 C328 | P196-A199 CarbonylContact O-C 3.49Å; P196-A199 PolarHBondContact O-N 3.11Å; P196-C200 PolarHBondContact O-N 2.9Å; P196-P260 HydrophobicContact CG-CG 3.78Å; P196-C322 HydrophobicContact CG-CB 4.39Å; P196-E323 WeakPolarHBondContact CD-O 3.34Å; P196-E323 WeakPolarHBondContact CG-O 3.36Å; P196-D325 HydrophobicContact CG-CB 4.31Å; P196-C328 VanDerWaalsContact CG-SG 3.58Å |
| 197 | T | 92 | Very high | 91.9 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 45% | 0.454 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -41.8 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | T195 A199 D325 S327 | T195-T197 PolarHBondContact O-N 2.89Å; T195-T197 VanDerWaalsContact O-N 3.13Å; T197-A199 VanDerWaalsContact C-N 3.33Å; T197-D325 WeakPolarHBondContact CB-OD2 3.34Å; T197-D325 PolarHBondContact OG1-OD2 2.9Å; T197-S327 PolarHBondContact N-OG 3.12Å; T197-S327 VanDerWaalsContact OG1-CB 3.3Å; T197-S327 WeakPolarHBondContact OG1-CB 3.43Å; T197-S327 PolarHBondContact OG1-OG 3.48Å |
| 198 | E | 91.4 | Very high | 91.8 | Very high | 36 Ų | 36 | 51 Ų | 51 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -32.7 | 173 | -69 | 169.1 | 138 | 0 | 0 | 111.8 | V177 R186 I194 T195 C200 | V177-E198 HydrophobicContact CG1-CG 4.24Å; V177-E198 HydrophobicContact CG2-CB 3.78Å; V177-E198 HydrophobicContact CG2-CG 3.77Å; R186-E198 IonicContact CZ-OE1 3.68Å; R186-E198 IonicContact NE-OE1 3.75Å; R186-E198 PolarHBondContact NE-OE1 3.11Å; R186-E198 VanDerWaalsContact NE-OE1 3.11Å; R186-E198 IonicContact NH2-OE1 3.83Å; I194-E198 HydrophobicContact CG2-CB 4.04Å; T195-E198 PolarHBondContact N-OE2 3.23Å; T195-E198 PolarHBondContact O-N 2.85Å; T195-E198 WeakPolarHBondContact OG1-CG 3.44Å; T195-E198 PolarHBondContact OG1-N 3.36Å; T195-E198 PolarHBondContact OG1-OE2 3.38Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3Å |
| 199 | A | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 26.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | F175 I194 T195 P196 T197 Y255 P258 | F175-A199 HydrophobicContact CD1-CB 4.07Å; F175-A199 HydrophobicContact CE1-CB 3.78Å; F175-A199 HydrophobicContact CE2-CB 4.38Å; F175-A199 HydrophobicContact CG-CB 4.48Å; F175-A199 HydrophobicContact CZ-CB 3.96Å; I194-A199 HydrophobicContact CG2-CB 4.23Å; T195-A199 PolarHBondContact O-N 3.23Å; P196-A199 CarbonylContact O-C 3.49Å; P196-A199 PolarHBondContact O-N 3.11Å; T197-A199 VanDerWaalsContact C-N 3.33Å; A199-Y255 PolarHBondContact O-OH 3.3Å; A199-P258 HydrophobicContact CB-CG 3.65Å; A199-P258 WeakPolarHBondContact O-CD 3.27Å |
| 200 | C | 89.9 | Confident | 91.5 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -67.9 | -38.9 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | P196 E198 | P196-C200 PolarHBondContact O-N 2.9Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3Å |
| 201 | A | 90.7 | Very high | 91.2 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -93.5 | 155.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F175 Y255 | F175-A201 WeakPolarHBondContact CD1-O 3.49Å; A201-Y255 VanDerWaalsContact C-CE1 3.46Å; A201-Y255 WeakPolarHBondContact O-CE1 3.32Å; A201-Y255 PolarHBondContact O-OH 3.34Å |
| 202 | P | 92.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 59.8 Ų | 59.8 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 145.3 | 175.2 | 26.5 | -34.8 | 0 | 0 | 0 | 111.2 | W236 Y255 | P202-W236 HydrophobicContact CB-CH2 4.1Å; P202-W236 HydrophobicContact CB-CZ2 4.16Å; P202-Y255 HydrophobicContact CB-CD1 4.07Å; P202-Y255 HydrophobicContact CB-CD2 4.05Å; P202-Y255 HydrophobicContact CB-CG 3.81Å |
| 203 | P | 93.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 144.2 | 178.8 | 28.2 | -30.7 | 0 | 0 | 0 | 111.4 | A173 S174 F175 I205 W236 | A173-P203 HydrophobicContact CB-CB 4.32Å; S174-P203 CarbonylContact O-C 3.56Å; S174-P203 WeakPolarHBondContact O-CA 3.31Å; F175-P203 HydrophobicContact CD1-CB 3.86Å; F175-P203 HydrophobicContact CE1-CB 3.61Å; F175-P203 HydrophobicContact CE1-CG 3.85Å; F175-P203 HydrophobicContact CE2-CB 4.35Å; F175-P203 HydrophobicContact CG-CB 4.33Å; F175-P203 HydrophobicContact CZ-CB 3.88Å; F175-P203 HydrophobicContact CZ-CG 4.04Å; P203-I205 HydrophobicContact CG-CD1 4.29Å; P203-I205 HydrophobicContact CG-CG1 4.37Å; P203-I205 PolarHBondContact O-N 3.29Å; P203-W236 HydrophobicContact CG-CE3 4.41Å; P203-W236 HydrophobicContact CG-CZ3 3.88Å |
| 204 | L | 93 | Very high | 90.7 | Very high | 110 Ų | 110 | 57.2 Ų | 57.2 | 58% | 0.576 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.7 | 165.7 | -177.4 | 70.9 | 0 | 0 | 0 | 108.8 | A173 S174 Y185 | A173-L204 CarbonylContact C-O 3.58Å; A173-L204 WeakPolarHBondContact CA-O 3.47Å; S174-L204 PolarHBondContact N-O 3.24Å; S174-L204 PolarHBondContact O-N 3.2Å; S174-L204 PolarHBondContact OG-O 3.17Å; Y185-L204 HydrophobicContact CE1-CD2 4.49Å |
| 205 | I | 93.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.5 | -174.8 | -70.4 | 171.7 | 0 | 0 | 0 | 109.7 | L171 R172 A173 P203 Y207 L217 W236 V246 | L171-I205 HydrophobicContact CD1-CG2 3.57Å; R172-I205 WeakPolarHBondContact O-CA 3.3Å; A173-I205 HydrophobicContact CB-CG1 4.13Å; P203-I205 HydrophobicContact CG-CD1 4.29Å; P203-I205 HydrophobicContact CG-CG1 4.37Å; P203-I205 PolarHBondContact O-N 3.29Å; I205-Y207 HydrophobicContact CG2-CD1 3.81Å; I205-Y207 HydrophobicContact CG2-CE1 4.09Å; I205-L217 HydrophobicContact CD1-CD1 3.89Å; I205-L217 HydrophobicContact CD1-CD2 3.1Å; I205-L217 HydrophobicContact CD1-CG 4.09Å; I205-W236 HydrophobicContact CD1-CE3 4.39Å; I205-W236 HydrophobicContact CD1-CH2 4.25Å; I205-W236 HydrophobicContact CD1-CZ3 3.55Å; I205-V246 HydrophobicContact CB-CG2 4.1Å; I205-V246 HydrophobicContact CG2-CG2 4.04Å |
| 206 | S | 91.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 51% | 0.51 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.6 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | R172 | R172-S206 PolarHBondContact N-O 3.17Å; R172-S206 PolarHBondContact O-N 2.98Å |
| 207 | Y | 91.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -149 | 155 | 174.8 | 56.6 | -90.4 | 0 | 0 | 0 | 109.6 | V169 L171 I205 A209 W215 I241 G243 V246 L273 | V169-Y207 HydrophobicContact CG1-CD2 4.47Å; L171-Y207 HydrophobicContact CD1-CD1 4.09Å; I205-Y207 HydrophobicContact CG2-CD1 3.81Å; I205-Y207 HydrophobicContact CG2-CE1 4.09Å; Y207-A209 HydrophobicContact CD2-CB 3.77Å; Y207-A209 HydrophobicContact CE2-CB 3.56Å; Y207-W215 HydrophobicContact CE2-CB 4.48Å; Y207-W215 AromaticContact CE2-CD1 3.81Å; Y207-W215 AromaticContact CE2-CD2 3.94Å; Y207-W215 HydrophobicContact CE2-CD2 3.94Å; Y207-W215 AromaticContact CE2-CG 3.83Å; Y207-W215 HydrophobicContact CE2-CG 3.83Å; Y207-W215 AromaticContact CE2-NE1 3.94Å; Y207-I241 VanDerWaalsContact OH-CG2 3.24Å; Y207-I241 WeakPolarHBondContact OH-CG2 3.07Å; Y207-G243 WeakPolarHBondContact CE2-O 3.36Å; Y207-G243 VanDerWaalsContact CZ-O 3.29Å; Y207-G243 PolarHBondContact OH-O 3.08Å; Y207-V246 HydrophobicContact CE1-CG2 4.05Å; Y207-L273 HydrophobicContact CD1-CD1 4.41Å; Y207-L273 HydrophobicContact CD1-CD2 4.04Å; Y207-L273 HydrophobicContact CD2-CD2 3.87Å; Y207-L273 HydrophobicContact CE1-CD1 4.09Å; Y207-L273 HydrophobicContact CE1-CD2 4.41Å; Y207-L273 HydrophobicContact CE2-CD2 4.26Å; Y207-L273 HydrophobicContact CG-CD2 3.77Å | ||
| 208 | K | 88.4 | Confident | 91 | Very high | 192 Ų | 192 | 51.4 Ų | 51.4 | 84% | 0.835 | 30% | 0.299 | S | S | * | . | trans | -82.9 | 118.5 | 176.6 | -65.6 | -178.3 | -179.7 | 177.8 | 0 | 109.3 | ||||
| 209 | A | 87.1 | Confident | 91.1 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | trans | -136.1 | 153.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y207 W215 | Y207-A209 HydrophobicContact CD2-CB 3.77Å; Y207-A209 HydrophobicContact CE2-CB 3.56Å; A209-W215 HydrophobicContact CB-CZ2 3.89Å | ||
| 210 | D | 86.9 | Confident | 91.2 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | trans | -75.7 | 138 | 172.5 | -53.6 | -46.2 | 0 | 0 | 0 | 109.5 | N212 S213 K275 | D210-N212 PolarHBondContact O-N 3.25Å; D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.86Å; D210-K275 IonicContact OD2-NZ 3.19Å | ||
| 211 | G | 81.9 | Confident | 91.4 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 70% | 0.701 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 212 | N | 85.1 | Confident | 91.4 | Very high | 163 Ų | 163 | 45.9 Ų | 45.9 | 87% | 0.872 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 12 | 178.5 | -71 | -5.6 | 0 | 0 | 0 | 113.6 | D210 | D210-N212 PolarHBondContact O-N 3.25Š|
| 213 | S | 91.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | trans | -102 | 148.5 | -179 | 62 | 0 | 0 | 0 | 0 | 111.8 | D210 W215 G243 | D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.86Å; S213-W215 PolarHBondContact OG-NE1 3.15Å; S213-G243 PolarHBondContact O-N 3.5Å | ||
| 214 | Y | 93.1 | Very high | 90.8 | Very high | 79 Ų | 79 | 45.9 Ų | 45.9 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.2 | 174.2 | -62 | -84.6 | 0 | 0 | 0 | 110.2 | I241 P242 Q276 R279 | Y214-I241 CarbonylContact C-O 3.59Å; Y214-I241 VanDerWaalsContact CA-O 3.28Å; Y214-I241 WeakPolarHBondContact CA-O 3.35Å; Y214-P242 HydrophobicContact CD1-CB 4.49Å; Y214-P242 HydrophobicContact CE1-CB 4.39Å; Y214-Q276 WeakPolarHBondContact O-CB 3.25Å; Y214-Q276 PolarHBondContact O-N 2.85Å; Y214-R279 HydrophobicContact CD1-CB 4.34Å; Y214-R279 HydrophobicContact CD2-CB 4.26Å; Y214-R279 HydrophobicContact CE1-CB 4.1Å; Y214-R279 HydrophobicContact CE1-CG 4.33Å; Y214-R279 HydrophobicContact CE2-CB 4.03Å; Y214-R279 HydrophobicContact CG-CB 4.41Å |
| 215 | W | 94.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.4 | -176.4 | -58 | 83.9 | 0 | 0 | 0 | 111.9 | V169 Y207 A209 S213 N240 I241 L273 F274 K275 A315 | V169-W215 HydrophobicContact CG2-CH2 3.86Å; V169-W215 HydrophobicContact CG2-CZ3 4.16Å; Y207-W215 HydrophobicContact CE2-CB 4.48Å; Y207-W215 AromaticContact CE2-CD1 3.81Å; Y207-W215 AromaticContact CE2-CD2 3.94Å; Y207-W215 HydrophobicContact CE2-CD2 3.94Å; Y207-W215 AromaticContact CE2-CG 3.83Å; Y207-W215 HydrophobicContact CE2-CG 3.83Å; Y207-W215 AromaticContact CE2-NE1 3.94Å; A209-W215 HydrophobicContact CB-CZ2 3.89Å; S213-W215 PolarHBondContact OG-NE1 3.15Å; W215-N240 PolarHBondContact O-N 3.4Å; W215-I241 HydrophobicContact CB-CB 4.2Å; W215-I241 PolarHBondContact N-O 3.2Å; W215-I241 PolarHBondContact O-N 3.31Å; W215-L273 HydrophobicContact CB-CD1 4.11Å; W215-L273 HydrophobicContact CD2-CD2 4.48Å; W215-L273 HydrophobicContact CE3-CD1 4.2Å; W215-L273 HydrophobicContact CE3-CD2 3.74Å; W215-L273 HydrophobicContact CE3-CG 3.74Å; W215-L273 HydrophobicContact CZ3-CD2 3.96Å; W215-L273 HydrophobicContact CZ3-CG 4.27Å; W215-F274 CarbonylContact C-O 3.54Å; W215-F274 WeakPolarHBondContact CA-O 3.38Å; W215-K275 HydrophobicContact CD2-CG 4.44Å; W215-K275 HydrophobicContact CE3-CB 3.83Å; W215-K275 HydrophobicContact CE3-CG 4.2Å; W215-K275 HydrophobicContact CH2-CB 3.86Å; W215-K275 HydrophobicContact CH2-CD 3.7Å; W215-K275 HydrophobicContact CH2-CG 3.74Å; W215-K275 HydrophobicContact CZ2-CD 4Å; W215-K275 HydrophobicContact CZ2-CG 3.97Å; W215-K275 HydrophobicContact CZ3-CB 3.48Å; W215-K275 VanDerWaalsContact CZ3-CB 3.48Å; W215-K275 HydrophobicContact CZ3-CD 4.25Å; W215-K275 HydrophobicContact CZ3-CG 3.86Å; W215-A315 HydrophobicContact CH2-CB 4.41Å; W215-A315 HydrophobicContact CZ3-CB 3.65Å |
| 216 | T | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.6 | 171.1 | -62.7 | 0 | 0 | 0 | 0 | 108.7 | V218 L237 I238 F274 Q276 | T216-V218 HydrophobicContact CG2-CG2 3.99Å; T216-L237 HydrophobicContact CG2-CD1 4.06Å; T216-I238 CarbonylContact C-O 3.34Å; T216-I238 VanDerWaalsContact CA-O 3.31Å; T216-I238 WeakPolarHBondContact CA-O 3.41Å; T216-I238 WeakPolarHBondContact CG2-O 3.46Å; T216-F274 PolarHBondContact N-O 3.18Å; T216-F274 PolarHBondContact O-N 2.72Å; T216-Q276 PolarHBondContact OG1-NE2 3.2Å |
| 217 | L | 94.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.4 | 176.4 | 178.6 | 78.8 | 0 | 0 | 0 | 108.9 | L171 I205 W236 I238 I241 L271 L273 | L171-L217 HydrophobicContact CD2-CD1 4.44Å; I205-L217 HydrophobicContact CD1-CD1 3.89Å; I205-L217 HydrophobicContact CD1-CD2 3.1Å; I205-L217 HydrophobicContact CD1-CG 4.09Å; L217-W236 HydrophobicContact CD2-CD2 4.45Å; L217-W236 HydrophobicContact CD2-CE3 3.76Å; L217-W236 HydrophobicContact CD2-CH2 4.29Å; L217-W236 HydrophobicContact CD2-CZ3 3.66Å; L217-I238 HydrophobicContact CD2-CD1 4.34Å; L217-I238 PolarHBondContact N-O 2.92Å; L217-I238 PolarHBondContact O-N 3.4Å; L217-I241 HydrophobicContact CB-CD1 3.96Å; L217-L271 HydrophobicContact CD1-CD2 4.34Å; L217-L273 HydrophobicContact CB-CD1 4.47Å; L217-L273 HydrophobicContact CD1-CD1 4.32Å |
| 218 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.8 | 178.2 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | T216 V220 L234 L237 L271 V272 F274 F299 L301 | T216-V218 HydrophobicContact CG2-CG2 3.99Å; V218-V220 HydrophobicContact CG1-CG1 3.9Å; V218-L234 HydrophobicContact CG1-CD1 3.71Å; V218-L237 HydrophobicContact CB-CD1 4.25Å; V218-L237 HydrophobicContact CG1-CD1 4.14Å; V218-L237 HydrophobicContact CG2-CD1 3.56Å; V218-L271 CarbonylContact O-C 3.56Å; V218-L271 WeakPolarHBondContact O-CA 3.47Å; V218-V272 PolarHBondContact N-O 3.3Å; V218-V272 PolarHBondContact O-N 2.93Å; V218-F274 HydrophobicContact CB-CE2 4.36Å; V218-F274 HydrophobicContact CG2-CD2 3.92Å; V218-F274 HydrophobicContact CG2-CE2 3.65Å; V218-F299 HydrophobicContact CG1-CE1 4.33Å; V218-L301 HydrophobicContact CB-CD1 4.42Å; V218-L301 HydrophobicContact CG1-CD1 4.09Å; V218-L301 HydrophobicContact CG2-CD1 4.38Å |
| 219 | M | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.7 | 172.2 | -169.1 | 178.4 | 168.3 | 0 | 0 | 109.9 | H235 W236 Y255 P258 F269 V270 L271 F320 | M219-H235 HydrophobicContact CB-CB 4.22Å; M219-H235 HydrophobicContact CE-CB 4.34Å; M219-H235 HydrophobicContact CG-CB 3.96Å; M219-H235 PolarHBondContact O-N 3.44Å; M219-H235 HydrophobicContact SD-CB 4.04Å; M219-W236 HydrophobicContact CB-CB 3.72Å; M219-W236 PolarHBondContact N-O 3.41Å; M219-W236 PolarHBondContact O-N 2.97Å; M219-W236 HydrophobicContact SD-CB 4.48Å; M219-Y255 HydrophobicContact CE-CE2 4.36Å; M219-Y255 HydrophobicContact SD-CD2 4.38Å; M219-Y255 HydrophobicContact SD-CE2 3.79Å; M219-P258 HydrophobicContact CE-CG 4.29Å; M219-F269 HydrophobicContact CE-CB 4.13Å; M219-F269 HydrophobicContact CE-CD1 3.89Å; M219-F269 HydrophobicContact CE-CG 4.33Å; M219-V270 WeakPolarHBondContact CA-O 3.45Å; M219-L271 HydrophobicContact CB-CD2 3.53Å; M219-L271 HydrophobicContact CG-CD2 3.57Å; M219-L271 HydrophobicContact CG-CG 4.21Å; M219-L271 HydrophobicContact SD-CD2 4Å; M219-F320 HydrophobicContact CE-CE1 3.92Å; M219-F320 HydrophobicContact CE-CZ 3.57Å |
| 220 | V | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.8 | -175.4 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | L158 V218 E232 V233 L234 V270 F299 | L158-V220 HydrophobicContact CD1-CG2 4.44Å; L158-V220 HydrophobicContact CD2-CG2 3.86Å; V218-V220 HydrophobicContact CG1-CG1 3.9Å; V220-E232 HydrophobicContact CB-CB 4.27Å; V220-E232 WeakPolarHBondContact CB-OE2 3.25Å; V220-E232 VanDerWaalsContact CG1-OE2 3.29Å; V220-E232 WeakPolarHBondContact CG1-OE2 3.16Å; V220-E232 WeakPolarHBondContact CG2-OE2 3.46Å; V220-V233 WeakPolarHBondContact CA-O 3.44Å; V220-L234 HydrophobicContact CG1-CD1 3.95Å; V220-V270 HydrophobicContact CG2-CB 4.2Å; V220-V270 PolarHBondContact N-O 3.27Å; V220-V270 PolarHBondContact O-N 3.37Å; V220-F299 HydrophobicContact CG1-CD1 3.97Å; V220-F299 HydrophobicContact CG1-CE1 4.34Å |
| 221 | N | 93.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 100.8 | 173.4 | 177.4 | 1.4 | 0 | 0 | 0 | 109 | D223 G224 E232 V233 R268 F269 | N221-D223 VanDerWaalsContact C-N 3.26Å; N221-D223 PolarHBondContact O-N 3.01Å; N221-D223 PolarHBondContact OD1-N 2.92Å; N221-D223 VanDerWaalsContact OD1-N 3.1Å; N221-G224 WeakPolarHBondContact ND2-CA 3.07Å; N221-G224 PolarHBondContact OD1-N 3.45Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; N221-E232 WeakPolarHBondContact O-CA 3.29Å; N221-V233 HydrophobicContact CB-CB 4.36Å; N221-V233 PolarHBondContact N-O 2.77Å; N221-V233 PolarHBondContact O-N 2.72Å; N221-R268 PolarHBondContact OD1-O 3.14Å; N221-F269 HydrophobicContact CB-CD1 3.92Å; N221-F269 HydrophobicContact CB-CE1 3.67Å; N221-F269 HydrophobicContact CB-CZ 4.24Å; N221-F269 WeakPolarHBondContact ND2-CE1 3.25Å; N221-F269 VanDerWaalsContact ND2-CZ 3.29Å; N221-F269 WeakPolarHBondContact ND2-CZ 3.29Å |
| 222 | P | 92 | Very high | 88.6 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.9 | 178.4 | 26.1 | -35.7 | 0 | 0 | 0 | 114 | D157 E232 R268 | D157-P222 HydrophobicContact CB-CB 4.37Å; P222-E232 HydrophobicContact CB-CG 4.21Å; P222-R268 WeakPolarHBondContact CD-O 3.14Å; P222-R268 HydrophobicContact CG-CB 4.39Å |
| 223 | D | 90.8 | Very high | 88.9 | Confident | 62 Ų | 62 | 34.1 Ų | 34.1 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10.8 | -172.3 | -55.9 | -43.5 | 0 | 0 | 0 | 113 | N221 H267 R268 | N221-D223 VanDerWaalsContact C-N 3.26Å; N221-D223 PolarHBondContact O-N 3.01Å; N221-D223 PolarHBondContact OD1-N 2.92Å; N221-D223 VanDerWaalsContact OD1-N 3.1Å; D223-H267 HydrophobicContact CB-CB 4.27Å; D223-H267 PolarHBondContact O-CE1 3.14Å; D223-H267 PolarHBondContact O-ND1 3.32Å; D223-R268 IonicContact OD1-CZ 2.92Å; D223-R268 IonicContact OD1-NE 3.77Å; D223-R268 PolarHBondContact OD1-NE 2.76Å; D223-R268 IonicContact OD1-NH2 2.97Å; D223-R268 PolarHBondContact OD1-NH2 3.35Å; D223-R268 WeakPolarHBondContact OD2-CB 3.32Å; D223-R268 WeakPolarHBondContact OD2-CG 3.48Å; D223-R268 IonicContact OD2-CZ 3.87Å; D223-R268 PolarHBondContact OD2-N 3.06Å; D223-R268 IonicContact OD2-NE 2.76Å; D223-R268 PolarHBondContact OD2-NE 2.67Å; D223-R268 IonicContact OD2-NH2 2.9Å |
| 224 | G | 82.3 | Confident | 88.9 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | trans | -90.3 | -4.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N221 | N221-G224 WeakPolarHBondContact ND2-CA 3.07Å; N221-G224 PolarHBondContact OD1-N 3.45Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å | ||
| 225 | N | 84.1 | Confident | 88.8 | Confident | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | trans | -83.8 | 125.1 | -169.5 | -163.3 | -12.7 | 0 | 0 | 0 | 112.5 | Y227 A228 N231 V233 T298 | N225-Y227 PolarHBondContact OD1-N 3.44Å; N225-A228 PolarHBondContact ND2-O 3.47Å; N225-A228 PolarHBondContact OD1-N 3.1Å; N225-N231 WeakPolarHBondContact CB-O 3.2Å; N225-N231 VanDerWaalsContact ND2-CB 3.29Å; N225-N231 WeakPolarHBondContact ND2-CB 3.42Å; N225-N231 PolarHBondContact ND2-O 2.92Å; N225-V233 HydrophobicContact CB-CG2 3.97Å; N225-T298 WeakPolarHBondContact ND2-CG2 3.34Å | ||
| 226 | I | 83.6 | Confident | 88.7 | Confident | 64 Ų | 64 | 31 Ų | 31 | 33% | 0.328 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -96 | -15.5 | 178.1 | 59.6 | -179.4 | 0 | 0 | 0 | 113.8 | L261 F343 | I226-L261 HydrophobicContact CG2-CD1 3.2Å; I226-F343 HydrophobicContact CG2-CZ 4.47Å |
| 227 | Y | 82.3 | Confident | 88.6 | Confident | 105 Ų | 105 | 31 Ų | 31 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -102 | -32.2 | -169 | -59 | -70.7 | 0 | 0 | 0 | 113.2 | N225 L294 D295 | N225-Y227 PolarHBondContact OD1-N 3.44Å; Y227-L294 HydrophobicContact CE2-CB 3.82Å; Y227-D295 WeakPolarHBondContact CD1-OD1 3.29Å; Y227-D295 WeakPolarHBondContact CD2-OD1 3.48Å; Y227-D295 WeakPolarHBondContact CE1-OD1 3.47Å; Y227-D295 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-D295 PolarHBondContact OH-OD1 2.98Å |
| 228 | A | 81.2 | Confident | 88.5 | Confident | 27 Ų | 27 | 31.1 Ų | 31.1 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -141.8 | 121.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N225 G230 N231 | N225-A228 PolarHBondContact ND2-O 3.47Å; N225-A228 PolarHBondContact OD1-N 3.1Å; A228-G230 PolarHBondContact O-N 3.13Å; A228-N231 HydrophobicContact CB-CB 4.16Å; A228-N231 WeakPolarHBondContact CB-ND2 3.49Å; A228-N231 PolarHBondContact O-N 2.89Å |
| 229 | D | 80.7 | Confident | 88.3 | Confident | 169 Ų | 169 | 31.1 Ų | 31.1 | 90% | 0.904 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 128.3 | 174.3 | -63 | -23.5 | 0 | 0 | 0 | 110.2 | ||
| 230 | G | 79.5 | Confident | 88.1 | Confident | 75 Ų | 75 | 31.4 Ų | 31.4 | 77% | 0.773 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A228 | A228-G230 PolarHBondContact O-N 3.13Š|
| 231 | N | 84.7 | Confident | 88.1 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -98.7 | 151.2 | 168.5 | -71.7 | -33.4 | 0 | 0 | 0 | 110.4 | N225 A228 T298 | N225-N231 WeakPolarHBondContact CB-O 3.2Å; N225-N231 VanDerWaalsContact ND2-CB 3.29Å; N225-N231 WeakPolarHBondContact ND2-CB 3.42Å; N225-N231 PolarHBondContact ND2-O 2.92Å; A228-N231 HydrophobicContact CB-CB 4.16Å; A228-N231 WeakPolarHBondContact CB-ND2 3.49Å; A228-N231 PolarHBondContact O-N 2.89Å; N231-T298 HydrophobicContact CB-CG2 3.7Å |
| 232 | E | 91 | Very high | 88 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 165.4 | 179.7 | -57 | 150.1 | -139.3 | 0 | 0 | 111.1 | L158 V220 N221 P222 F299 L301 | L158-E232 HydrophobicContact CD2-CG 4.01Å; L158-E232 VanDerWaalsContact CD2-OE1 3.28Å; L158-E232 WeakPolarHBondContact CD2-OE1 3.35Å; L158-E232 WeakPolarHBondContact CD2-OE2 3.47Å; V220-E232 HydrophobicContact CB-CB 4.27Å; V220-E232 WeakPolarHBondContact CB-OE2 3.25Å; V220-E232 VanDerWaalsContact CG1-OE2 3.29Å; V220-E232 WeakPolarHBondContact CG1-OE2 3.16Å; V220-E232 WeakPolarHBondContact CG2-OE2 3.46Å; N221-E232 WeakPolarHBondContact O-CA 3.29Å; P222-E232 HydrophobicContact CB-CG 4.21Å; E232-F299 WeakPolarHBondContact CA-O 3.39Å; E232-F299 PolarHBondContact N-O 2.66Å; E232-F299 PolarHBondContact O-N 2.76Å; E232-F299 VanDerWaalsContact O-O 3.1Å; E232-L301 PolarHBondContact OE1-N 2.91Å; E232-L301 VanDerWaalsContact OE2-CB 3.32Å; E232-L301 WeakPolarHBondContact OE2-CB 3.32Å |
| 233 | V | 90.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.5 | 168 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | V220 N221 N225 H235 R297 | V220-V233 WeakPolarHBondContact CA-O 3.44Å; N221-V233 HydrophobicContact CB-CB 4.36Å; N221-V233 PolarHBondContact N-O 2.77Å; N221-V233 PolarHBondContact O-N 2.72Å; N225-V233 HydrophobicContact CB-CG2 3.97Å; V233-H235 PolarHBondContact O-CD2 2.93Å; V233-R297 HydrophobicContact CG1-CB 3.99Å |
| 234 | L | 91.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.3 | 177.7 | -174 | 66.9 | 0 | 0 | 0 | 111 | V218 V220 L237 C253 V285 R297 F299 | V218-L234 HydrophobicContact CG1-CD1 3.71Å; V220-L234 HydrophobicContact CG1-CD1 3.95Å; L234-L237 HydrophobicContact CD1-CB 4.22Å; L234-L237 HydrophobicContact CD2-CB 4.04Å; L234-L237 HydrophobicContact CD2-CD2 4.22Å; L234-L237 HydrophobicContact CG-CB 4.47Å; L234-C253 HydrophobicContact CD2-CB 3.75Å; L234-C253 HydrophobicContact CG-CB 4.34Å; L234-V285 HydrophobicContact CD2-CG1 3.71Å; L234-R297 PolarHBondContact N-O 3Å; L234-R297 WeakPolarHBondContact O-CD 3.43Å; L234-R297 PolarHBondContact O-NH1 3.46Å; L234-F299 HydrophobicContact CB-CB 3.78Å; L234-F299 HydrophobicContact CB-CG 4.21Å; L234-F299 HydrophobicContact CD1-CD1 4.17Å; L234-F299 HydrophobicContact CD1-CE1 4.4Å; L234-F299 HydrophobicContact CD1-CG 4.41Å; L234-F299 HydrophobicContact CD2-CD2 4.41Å; L234-F299 HydrophobicContact CD2-CG 4.48Å |
| 235 | H | 91.8 | Very high | 88 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -36.9 | 178.2 | -82.4 | -92.8 | 0 | 0 | 0 | 112.5 | M219 V233 Y255 L256 Q257 F269 R297 | M219-H235 HydrophobicContact CB-CB 4.22Å; M219-H235 HydrophobicContact CE-CB 4.34Å; M219-H235 HydrophobicContact CG-CB 3.96Å; M219-H235 PolarHBondContact O-N 3.44Å; M219-H235 HydrophobicContact SD-CB 4.04Å; V233-H235 PolarHBondContact O-CD2 2.93Å; H235-Y255 CarbonylContact O-C 3.51Å; H235-Y255 WeakPolarHBondContact O-CA 3.28Å; H235-L256 PolarHBondContact ND1-O 2.58Å; H235-L256 PolarHBondContact O-N 3Å; H235-Q257 PolarHBondContact CE1-O 3.12Å; H235-Q257 VanDerWaalsContact CE1-O 3.23Å; H235-Q257 PolarHBondContact ND1-O 3.3Å; H235-F269 AromaticContact CD2-CE1 3.81Å; H235-F269 AromaticContact CE1-CE1 3.72Å; H235-F269 AromaticContact NE2-CE1 3.47Å; H235-F269 WeakPolarHBondContact NE2-CE1 3.28Å; H235-R297 PolarHBondContact O-NH1 2.84Å |
| 236 | W | 92.3 | Very high | 88.3 | Confident | 25 Ų | 25 | 38 Ų | 38 | 10% | 0.095 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 136.5 | -177.4 | -161.3 | 24.3 | 0 | 0 | 0 | 110.7 | P202 P203 I205 L217 M219 I238 V246 C253 Y255 | P202-W236 HydrophobicContact CB-CH2 4.1Å; P202-W236 HydrophobicContact CB-CZ2 4.16Å; P203-W236 HydrophobicContact CG-CE3 4.41Å; P203-W236 HydrophobicContact CG-CZ3 3.88Å; I205-W236 HydrophobicContact CD1-CE3 4.39Å; I205-W236 HydrophobicContact CD1-CH2 4.25Å; I205-W236 HydrophobicContact CD1-CZ3 3.55Å; L217-W236 HydrophobicContact CD2-CD2 4.45Å; L217-W236 HydrophobicContact CD2-CE3 3.76Å; L217-W236 HydrophobicContact CD2-CH2 4.29Å; L217-W236 HydrophobicContact CD2-CZ3 3.66Å; M219-W236 HydrophobicContact CB-CB 3.72Å; M219-W236 PolarHBondContact N-O 3.41Å; M219-W236 PolarHBondContact O-N 2.97Å; M219-W236 HydrophobicContact SD-CB 4.48Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.37Å; W236-I238 HydrophobicContact CH2-CD1 3.78Å; W236-I238 HydrophobicContact CZ2-CD1 3.12Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.45Å; W236-V246 HydrophobicContact CH2-CG1 4.3Å; W236-C253 VanDerWaalsContact CD1-O 3.3Å; W236-Y255 HydrophobicContact CB-CD2 4.07Å; W236-Y255 HydrophobicContact CD2-CD2 4.05Å; W236-Y255 HydrophobicContact CE3-CD2 4.2Å; W236-Y255 HydrophobicContact CG-CD2 4.02Å |
| 237 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 117.5 | 175.3 | -180 | 61.7 | 0 | 0 | 0 | 110 | T216 V218 L234 L252 C253 V285 | T216-L237 HydrophobicContact CG2-CD1 4.06Å; V218-L237 HydrophobicContact CB-CD1 4.25Å; V218-L237 HydrophobicContact CG1-CD1 4.14Å; V218-L237 HydrophobicContact CG2-CD1 3.56Å; L234-L237 HydrophobicContact CD1-CB 4.22Å; L234-L237 HydrophobicContact CD2-CB 4.04Å; L234-L237 HydrophobicContact CD2-CD2 4.22Å; L234-L237 HydrophobicContact CG-CB 4.47Å; L237-L252 HydrophobicContact CB-CB 4.46Å; L237-L252 HydrophobicContact CD2-CB 3.94Å; L237-L252 HydrophobicContact CD2-CD1 3.9Å; L237-L252 HydrophobicContact CG-CB 4.07Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; L237-L252 PolarHBondContact O-N 3.44Å; L237-C253 HydrophobicContact CB-CB 3.82Å; L237-C253 PolarHBondContact N-O 3.45Å; L237-C253 PolarHBondContact O-N 2.8Å; L237-V285 HydrophobicContact CD2-CB 3.84Å; L237-V285 HydrophobicContact CD2-CG1 3.72Å; L237-V285 HydrophobicContact CD2-CG2 3.76Å |
| 238 | I | 92 | Very high | 88.8 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.7 | 174.3 | -50.5 | 171.7 | 0 | 0 | 0 | 108.4 | T216 L217 W236 I241 V246 V251 | T216-I238 CarbonylContact C-O 3.34Å; T216-I238 VanDerWaalsContact CA-O 3.31Å; T216-I238 WeakPolarHBondContact CA-O 3.41Å; T216-I238 WeakPolarHBondContact CG2-O 3.46Å; L217-I238 HydrophobicContact CD2-CD1 4.34Å; L217-I238 PolarHBondContact N-O 2.92Å; L217-I238 PolarHBondContact O-N 3.4Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.37Å; W236-I238 HydrophobicContact CH2-CD1 3.78Å; W236-I238 HydrophobicContact CZ2-CD1 3.12Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.45Å; I238-I241 HydrophobicContact CB-CD1 4.1Å; I238-I241 HydrophobicContact CB-CG1 4.34Å; I238-I241 HydrophobicContact CG2-CD1 3.91Å; I238-I241 HydrophobicContact CG2-CG1 3.62Å; I238-V246 HydrophobicContact CD1-CG1 3.6Å; I238-V251 HydrophobicContact CG1-CG2 4.26Å; I238-V251 HydrophobicContact CG2-CG2 4.47Å |
| 239 | C | 90.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 162.5 | 179.7 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | I241 D250 L252 F282 | C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.67Å; C239-D250 PolarHBondContact N-O 2.85Å; C239-D250 PolarHBondContact O-N 2.96Å; C239-L252 HydrophobicContact CB-CD1 4.12Å; C239-L252 HydrophobicContact CB-CG 4.45Å; C239-L252 WeakPolarHBondContact SG-CD1 3.48Å; C239-F282 HydrophobicContact CB-CD2 3.53Å; C239-F282 HydrophobicContact CB-CE2 3.63Å; C239-F282 WeakPolarHBondContact SG-CD2 3.49Å |
| 240 | N | 90.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.1 | 34.7 | 173.1 | -54.9 | -34.6 | 0 | 0 | 0 | 114.7 | W215 P242 D250 Q276 R279 R280 | W215-N240 PolarHBondContact O-N 3.4Å; N240-P242 VanDerWaalsContact O-CD 3.23Å; N240-P242 WeakPolarHBondContact O-CD 3.21Å; N240-D250 PolarHBondContact ND2-OD2 3.28Å; N240-Q276 PolarHBondContact OD1-NE2 3.43Å; N240-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N240-Q276 PolarHBondContact OD1-OE1 2.81Å; N240-Q276 VanDerWaalsContact OD1-OE1 3.04Å; N240-R279 HydrophobicContact CB-CG 4.12Å; N240-R280 PolarHBondContact ND2-O 2.84Å; N240-R280 PolarHBondContact OD1-N 3.21Å; N240-R280 PolarHBondContact OD1-O 2.93Å |
| 241 | I | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 115.8 | 176.7 | -58.3 | 165.5 | 0 | 0 | 0 | 108.5 | Y207 Y214 W215 L217 I238 C239 G243 D245 V246 | Y207-I241 VanDerWaalsContact OH-CG2 3.24Å; Y207-I241 WeakPolarHBondContact OH-CG2 3.07Å; Y214-I241 CarbonylContact C-O 3.59Å; Y214-I241 VanDerWaalsContact CA-O 3.28Å; Y214-I241 WeakPolarHBondContact CA-O 3.35Å; W215-I241 HydrophobicContact CB-CB 4.2Å; W215-I241 PolarHBondContact N-O 3.2Å; W215-I241 PolarHBondContact O-N 3.31Å; L217-I241 HydrophobicContact CB-CD1 3.96Å; I238-I241 HydrophobicContact CB-CD1 4.1Å; I238-I241 HydrophobicContact CB-CG1 4.34Å; I238-I241 HydrophobicContact CG2-CD1 3.91Å; I238-I241 HydrophobicContact CG2-CG1 3.62Å; C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.67Å; I241-G243 PolarHBondContact O-N 3.3Å; I241-D245 WeakPolarHBondContact CG2-O 3.45Å; I241-V246 HydrophobicContact CD1-CG1 4.25Å |
| 242 | P | 91.7 | Very high | 90.1 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 33% | 0.331 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120 | 176.8 | 32.5 | -32.3 | 0 | 0 | 0 | 110.3 | Y214 N240 D244 S248 | Y214-P242 HydrophobicContact CD1-CB 4.49Å; Y214-P242 HydrophobicContact CE1-CB 4.39Å; N240-P242 VanDerWaalsContact O-CD 3.23Å; N240-P242 WeakPolarHBondContact O-CD 3.21Å; P242-D244 PolarHBondContact O-N 3.1Å; P242-S248 WeakPolarHBondContact CD-OG 3.45Å; P242-S248 WeakPolarHBondContact CG-OG 3.49Å |
| 243 | G | 89.2 | Confident | 90 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -126.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y207 S213 I241 | Y207-G243 WeakPolarHBondContact CE2-O 3.36Å; Y207-G243 VanDerWaalsContact CZ-O 3.29Å; Y207-G243 PolarHBondContact OH-O 3.08Å; S213-G243 PolarHBondContact O-N 3.5Å; I241-G243 PolarHBondContact O-N 3.3Å |
| 244 | D | 88.4 | Confident | 89.9 | Confident | 108 Ų | 108 | 33.9 Ų | 33.9 | 58% | 0.578 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -7.2 | -176.6 | 59.4 | -17.4 | 0 | 0 | 0 | 114.1 | P242 V246 | P242-D244 PolarHBondContact O-N 3.1Å; D244-V246 PolarHBondContact O-N 3.41Å; D244-V246 VanDerWaalsContact O-N 3.08Å |
| 245 | D | 88.7 | Confident | 89.9 | Confident | 77 Ų | 77 | 35.7 Ų | 35.7 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | trans | -84.5 | 85.9 | -177.5 | -177.1 | 14.9 | 0 | 0 | 0 | 112.3 | I241 S247 S248 | I241-D245 WeakPolarHBondContact CG2-O 3.45Å; D245-S247 PolarHBondContact O-N 3.42Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.93Å; D245-S247 VanDerWaalsContact OD1-N 3.16Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.31Å; D245-S248 PolarHBondContact O-N 3.21Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.48Å; D245-S248 WeakPolarHBondContact OD2-CB 3.14Å; D245-S248 PolarHBondContact OD2-OG 2.8Å | ||
| 246 | V | 89.3 | Confident | 89.8 | Confident | 22 Ų | 22 | 36 Ų | 36 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -55.1 | -28.9 | 178.3 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | I205 Y207 W236 I238 I241 D244 S248 G249 | I205-V246 HydrophobicContact CB-CG2 4.1Å; I205-V246 HydrophobicContact CG2-CG2 4.04Å; Y207-V246 HydrophobicContact CE1-CG2 4.05Å; W236-V246 HydrophobicContact CH2-CG1 4.3Å; I238-V246 HydrophobicContact CD1-CG1 3.6Å; I241-V246 HydrophobicContact CD1-CG1 4.25Å; D244-V246 PolarHBondContact O-N 3.41Å; D244-V246 VanDerWaalsContact O-N 3.08Å; V246-S248 VanDerWaalsContact C-N 3.28Å; V246-S248 PolarHBondContact O-N 3.24Å; V246-G249 PolarHBondContact O-N 3.28Å |
| 247 | S | 88 | Confident | 89.8 | Confident | 104 Ų | 104 | 35.1 Ų | 35.1 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -70.7 | -24.3 | -177.2 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | D245 | D245-S247 PolarHBondContact O-N 3.42Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.93Å; D245-S247 VanDerWaalsContact OD1-N 3.16Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.31Å |
| 248 | S | 89.3 | Confident | 89.8 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -88.5 | -1 | -179.6 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | P242 D245 V246 | P242-S248 WeakPolarHBondContact CD-OG 3.45Å; P242-S248 WeakPolarHBondContact CG-OG 3.49Å; D245-S248 PolarHBondContact O-N 3.21Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.48Å; D245-S248 WeakPolarHBondContact OD2-CB 3.14Å; D245-S248 PolarHBondContact OD2-OG 2.8Å; V246-S248 VanDerWaalsContact C-N 3.28Å; V246-S248 PolarHBondContact O-N 3.24Å |
| 249 | G | 88.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -74.6 | 158 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | V246 V251 | V246-G249 PolarHBondContact O-N 3.28Å; G249-V251 PolarHBondContact O-N 3.2Å |
| 250 | D | 89.6 | Confident | 89.7 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 104.8 | 175.4 | -62.4 | -36.8 | 0 | 0 | 0 | 109.1 | C239 N240 L252 R279 | C239-D250 PolarHBondContact N-O 2.85Å; C239-D250 PolarHBondContact O-N 2.96Å; N240-D250 PolarHBondContact ND2-OD2 3.28Å; D250-L252 PolarHBondContact O-N 3.36Å; D250-R279 IonicContact OD1-NH2 3.4Å; D250-R279 IonicContact OD2-NH2 3.11Å; D250-R279 PolarHBondContact OD2-NH2 3.35Å |
| 251 | V | 89.1 | Confident | 89.7 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 110 | I238 G249 | I238-V251 HydrophobicContact CG1-CG2 4.26Å; I238-V251 HydrophobicContact CG2-CG2 4.47Å; G249-V251 PolarHBondContact O-N 3.2Å |
| 252 | L | 86.2 | Confident | 89.7 | Confident | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -36.5 | 177.3 | -63.7 | -179.5 | 0 | 0 | 0 | 112.4 | L237 C239 D250 F282 | L237-L252 HydrophobicContact CB-CB 4.46Å; L237-L252 HydrophobicContact CD2-CB 3.94Å; L237-L252 HydrophobicContact CD2-CD1 3.9Å; L237-L252 HydrophobicContact CG-CB 4.07Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; L237-L252 PolarHBondContact O-N 3.44Å; C239-L252 HydrophobicContact CB-CD1 4.12Å; C239-L252 HydrophobicContact CB-CG 4.45Å; C239-L252 WeakPolarHBondContact SG-CD1 3.48Å; D250-L252 PolarHBondContact O-N 3.36Å; L252-F282 HydrophobicContact CD1-CB 3.75Å; L252-F282 HydrophobicContact CD1-CD2 4.38Å; L252-F282 HydrophobicContact CD1-CG 4.34Å |
| 253 | C | 87.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.2 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | L234 W236 L237 Q291 R297 | L234-C253 HydrophobicContact CD2-CB 3.75Å; L234-C253 HydrophobicContact CG-CB 4.34Å; W236-C253 VanDerWaalsContact CD1-O 3.3Å; L237-C253 HydrophobicContact CB-CB 3.82Å; L237-C253 PolarHBondContact N-O 3.45Å; L237-C253 PolarHBondContact O-N 2.8Å; C253-Q291 PolarHBondContact SG-OE1 3.38Å; C253-R297 PolarHBondContact SG-NH1 3.12Å |
| 254 | N | 89.6 | Confident | 89.6 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | trans | -66.2 | 145.5 | 179 | -74.6 | -21.5 | 0 | 0 | 0 | 111.9 | L256 A289 R297 | N254-L256 PolarHBondContact O-N 3.2Å; N254-A289 WeakPolarHBondContact CB-O 3.26Å; N254-A289 PolarHBondContact N-O 3.45Å; N254-A289 PolarHBondContact ND2-O 2.87Å; N254-R297 PolarHBondContact O-NH1 3.12Å; N254-R297 PolarHBondContact O-NH2 2.71Å | ||
| 255 | Y | 91.5 | Very high | 89.8 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | trans | -55.9 | 123.6 | 178.6 | -179.5 | -99.6 | 0 | 0 | 0 | 111.4 | F175 A199 A201 P202 M219 H235 W236 Q257 P258 | F175-Y255 WeakPolarHBondContact CE1-OH 3.3Å; A199-Y255 PolarHBondContact O-OH 3.3Å; A201-Y255 VanDerWaalsContact C-CE1 3.46Å; A201-Y255 WeakPolarHBondContact O-CE1 3.32Å; A201-Y255 PolarHBondContact O-OH 3.34Å; P202-Y255 HydrophobicContact CB-CD1 4.07Å; P202-Y255 HydrophobicContact CB-CD2 4.05Å; P202-Y255 HydrophobicContact CB-CG 3.81Å; M219-Y255 HydrophobicContact CE-CE2 4.36Å; M219-Y255 HydrophobicContact SD-CD2 4.38Å; M219-Y255 HydrophobicContact SD-CE2 3.79Å; H235-Y255 CarbonylContact O-C 3.51Å; H235-Y255 WeakPolarHBondContact O-CA 3.28Å; W236-Y255 HydrophobicContact CB-CD2 4.07Å; W236-Y255 HydrophobicContact CD2-CD2 4.05Å; W236-Y255 HydrophobicContact CE3-CD2 4.2Å; W236-Y255 HydrophobicContact CG-CD2 4.02Å; Y255-Q257 HydrophobicContact CE1-CB 4.46Å; Y255-P258 WeakPolarHBondContact OH-CD 3.44Å | ||
| 256 | L | 89.8 | Confident | 90 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -110.3 | 129.3 | 167.5 | 179.6 | 67.8 | 0 | 0 | 0 | 108.2 | H235 N254 L259 L294 | H235-L256 PolarHBondContact ND1-O 2.58Å; H235-L256 PolarHBondContact O-N 3Å; N254-L256 PolarHBondContact O-N 3.2Å; L256-L259 HydrophobicContact CD1-CD1 4.16Å; L256-L259 HydrophobicContact CD2-CD1 4.16Å; L256-L259 HydrophobicContact CG-CD1 4.25Å; L256-L294 HydrophobicContact CD2-CD2 4.18Å | ||
| 257 | Q | 91.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | trans | -53.8 | 151.2 | 174 | 68.8 | -173.2 | 79.2 | 0 | 0 | 111 | H235 Y255 L259 C331 | H235-Q257 PolarHBondContact CE1-O 3.12Å; H235-Q257 VanDerWaalsContact CE1-O 3.23Å; H235-Q257 PolarHBondContact ND1-O 3.3Å; Y255-Q257 HydrophobicContact CE1-CB 4.46Å; Q257-L259 HydrophobicContact CG-CD2 3.91Å; Q257-L259 HydrophobicContact CG-CG 4.24Å; Q257-L259 WeakPolarHBondContact O-CG 3.44Å; Q257-L259 PolarHBondContact O-N 3.5Å; Q257-C331 VanDerWaalsContact CD-SG 3.59Å; Q257-C331 HydrophobicContact CG-CB 4.38Å | ||
| 258 | P | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -51.6 | 128.4 | 169.5 | -31.9 | 39.6 | 0 | 0 | 0 | 112.1 | A199 M219 Y255 P260 F269 F320 C322 | A199-P258 HydrophobicContact CB-CG 3.65Å; A199-P258 WeakPolarHBondContact O-CD 3.27Å; M219-P258 HydrophobicContact CE-CG 4.29Å; Y255-P258 WeakPolarHBondContact OH-CD 3.44Å; P258-P260 VanDerWaalsContact C-CD 3.41Å; P258-P260 WeakPolarHBondContact O-CD 3.06Å; P258-F269 HydrophobicContact CB-CD1 4.2Å; P258-F269 HydrophobicContact CB-CD2 4.32Å; P258-F269 HydrophobicContact CB-CE1 3.64Å; P258-F269 HydrophobicContact CB-CE2 3.82Å; P258-F269 HydrophobicContact CB-CZ 3.45Å; P258-F269 VanDerWaalsContact CB-CZ 3.45Å; P258-F269 HydrophobicContact CG-CD1 4.23Å; P258-F269 HydrophobicContact CG-CE1 4.11Å; P258-F269 HydrophobicContact CG-CZ 4.33Å; P258-F320 HydrophobicContact CG-CE2 4.03Å; P258-F320 HydrophobicContact CG-CZ 4.11Å; P258-C322 HydrophobicContact CB-CB 4.44Å | ||
| 259 | L | 89.6 | Confident | 90.8 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | trans | -125.7 | 68.7 | 178.6 | -65.5 | 175.4 | 0 | 0 | 0 | 111.5 | L256 Q257 C328 C331 F332 L336 | L256-L259 HydrophobicContact CD1-CD1 4.16Å; L256-L259 HydrophobicContact CD2-CD1 4.16Å; L256-L259 HydrophobicContact CG-CD1 4.25Å; Q257-L259 HydrophobicContact CG-CD2 3.91Å; Q257-L259 HydrophobicContact CG-CG 4.24Å; Q257-L259 WeakPolarHBondContact O-CG 3.44Å; Q257-L259 PolarHBondContact O-N 3.5Å; L259-C328 HydrophobicContact CD2-CB 4.24Å; L259-C331 HydrophobicContact CD2-CB 3.6Å; L259-F332 HydrophobicContact CB-CZ 4.39Å; L259-L336 HydrophobicContact CD1-CD1 3.61Å | ||
| 260 | P | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 136.3 | 166.6 | 25.8 | -32.2 | 0 | 0 | 0 | 110.2 | P196 P258 H267 C322 E323 | P196-P260 HydrophobicContact CG-CG 3.78Å; P258-P260 VanDerWaalsContact C-CD 3.41Å; P258-P260 WeakPolarHBondContact O-CD 3.06Å; P260-H267 HydrophobicContact CB-CB 4.32Å; P260-C322 HydrophobicContact CG-CB 4.08Å; P260-E323 VanDerWaalsContact CG-C 3.42Å; P260-E323 VanDerWaalsContact CG-O 3.29Å; P260-E323 WeakPolarHBondContact CG-O 3.23Å |
| 261 | L | 90.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 153.1 | -177.8 | -53.4 | 171.9 | 0 | 0 | 0 | 110.1 | I226 G263 T264 F332 P341 F343 | I226-L261 HydrophobicContact CG2-CD1 3.2Å; L261-G263 PolarHBondContact O-N 3.4Å; L261-G263 VanDerWaalsContact O-N 3.1Å; L261-T264 HydrophobicContact CB-CG2 3.78Å; L261-T264 HydrophobicContact CD1-CG2 4.29Å; L261-T264 PolarHBondContact O-N 3.16Å; L261-T264 PolarHBondContact O-OG1 3.07Å; L261-F332 HydrophobicContact CD2-CE1 4.41Å; L261-F332 HydrophobicContact CD2-CE2 4.2Å; L261-F332 HydrophobicContact CD2-CZ 3.52Å; L261-P341 HydrophobicContact CD2-CG 3.88Å; L261-F343 HydrophobicContact CB-CD2 4.08Å; L261-F343 HydrophobicContact CB-CE2 4.09Å; L261-F343 HydrophobicContact CD1-CD2 4.4Å; L261-F343 HydrophobicContact CD1-CE2 3.68Å; L261-F343 HydrophobicContact CD1-CZ 4.32Å; L261-F343 HydrophobicContact CG-CE2 4.44Å |
| 262 | R | 91.3 | Very high | 91.7 | Very high | 114 Ų | 114 | 26.8 Ų | 26.8 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | B | Isolated β-bridge | trans | -70.1 | 116.5 | -178.1 | -166.2 | 171.3 | 177.8 | -154.6 | -2.4 | 110.1 | W324 F342 F343 | R262-W324 HydrophobicContact CB-CD2 4.28Å; R262-W324 HydrophobicContact CB-CG 4.09Å; R262-W324 HydrophobicContact CG-CD2 3.92Å; R262-W324 HydrophobicContact CG-CE3 4.4Å; R262-W324 HydrophobicContact CG-CG 4.16Å; R262-W324 HydrophobicContact CG-CZ2 4.27Å; R262-F342 HydrophobicContact CB-CD2 4.13Å; R262-F342 HydrophobicContact CG-CD2 3.81Å; R262-F342 HydrophobicContact CG-CE2 4.15Å; R262-F343 PolarHBondContact O-N 3.22Å |
| 263 | G | 88.4 | Confident | 92.1 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 50% | 0.495 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 8.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L261 F343 | L261-G263 PolarHBondContact O-N 3.4Å; L261-G263 VanDerWaalsContact O-N 3.1Å; G263-F343 WeakPolarHBondContact CA-O 3.28Å |
| 264 | T | 91 | Very high | 92.5 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 36% | 0.362 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -86.3 | -13.9 | 172.5 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | L261 H267 F343 | L261-T264 HydrophobicContact CB-CG2 3.78Å; L261-T264 HydrophobicContact CD1-CG2 4.29Å; L261-T264 PolarHBondContact O-N 3.16Å; L261-T264 PolarHBondContact O-OG1 3.07Å; T264-H267 VanDerWaalsContact CB-NE2 3.35Å; T264-H267 WeakPolarHBondContact CB-NE2 3.44Å; T264-H267 PolarHBondContact OG1-NE2 3.26Å; T264-F343 HydrophobicContact CG2-CB 4.17Å; T264-F343 HydrophobicContact CG2-CD2 3.77Å; T264-F343 HydrophobicContact CG2-CE2 4.36Å; T264-F343 HydrophobicContact CG2-CG 3.96Å |
| 265 | G | 91.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 39% | 0.392 | 13% | 0.134 | S | C | . | . | trans | 97.1 | -144.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 266 | L | 93.9 | Very high | 92.7 | Very high | 84 Ų | 84 | 22.3 Ų | 22.3 | 44% | 0.44 | 13% | 0.128 | S | C | . | . | P | Polyproline II helix | trans | -89 | 126.8 | -179.6 | -66.5 | 172.9 | 0 | 0 | 0 | 110.2 | L193 C322 E323 | L193-L266 HydrophobicContact CD1-CD2 3.67Å; L266-C322 WeakPolarHBondContact CA-O 3.14Å; L266-E323 HydrophobicContact CD2-CB 3.81Å; L266-E323 HydrophobicContact CD2-CG 4.34Å |
| 267 | H | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.2 | 175.3 | -73 | -123.1 | 0 | 0 | 0 | 110 | D223 P260 T264 F269 Q321 C322 | D223-H267 HydrophobicContact CB-CB 4.27Å; D223-H267 PolarHBondContact O-CE1 3.14Å; D223-H267 PolarHBondContact O-ND1 3.32Å; P260-H267 HydrophobicContact CB-CB 4.32Å; T264-H267 VanDerWaalsContact CB-NE2 3.35Å; T264-H267 WeakPolarHBondContact CB-NE2 3.44Å; T264-H267 PolarHBondContact OG1-NE2 3.26Å; H267-F269 HydrophobicContact CB-CD2 4.48Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.3Å; H267-Q321 CarbonylContact O-C 3.58Å; H267-Q321 VanDerWaalsContact O-CA 3.25Å; H267-Q321 WeakPolarHBondContact O-CA 3.38Å; H267-C322 PolarHBondContact N-O 3.2Å; H267-C322 PolarHBondContact O-N 3.43Å |
| 268 | R | 94.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135.6 | 172.8 | -60.2 | 166.9 | -65.8 | 158 | 7.2 | 109.4 | F152 D157 N221 P222 D223 | F152-R268 PolarHBondContact O-NH1 3.17Å; D157-R268 IonicContact OD2-CZ 2.74Å; D157-R268 IonicContact OD2-NH1 3.65Å; D157-R268 PolarHBondContact OD2-NH1 3.43Å; D157-R268 IonicContact OD2-NH2 3.69Å; D157-R268 PolarHBondContact OD2-NH2 3.4Å; N221-R268 PolarHBondContact OD1-O 3.14Å; P222-R268 WeakPolarHBondContact CD-O 3.14Å; P222-R268 HydrophobicContact CG-CB 4.39Å; D223-R268 IonicContact OD1-CZ 2.92Å; D223-R268 IonicContact OD1-NE 3.77Å; D223-R268 PolarHBondContact OD1-NE 2.76Å; D223-R268 IonicContact OD1-NH2 2.97Å; D223-R268 PolarHBondContact OD1-NH2 3.35Å; D223-R268 WeakPolarHBondContact OD2-CB 3.32Å; D223-R268 WeakPolarHBondContact OD2-CG 3.48Å; D223-R268 IonicContact OD2-CZ 3.87Å; D223-R268 PolarHBondContact OD2-N 3.06Å; D223-R268 IonicContact OD2-NE 2.76Å; D223-R268 PolarHBondContact OD2-NE 2.67Å; D223-R268 IonicContact OD2-NH2 2.9Å |
| 269 | F | 95 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.7 | 171.7 | -70.9 | -92.2 | 0 | 0 | 0 | 108.2 | M219 N221 H235 P258 H267 F319 F320 C322 | M219-F269 HydrophobicContact CE-CB 4.13Å; M219-F269 HydrophobicContact CE-CD1 3.89Å; M219-F269 HydrophobicContact CE-CG 4.33Å; N221-F269 HydrophobicContact CB-CD1 3.92Å; N221-F269 HydrophobicContact CB-CE1 3.67Å; N221-F269 HydrophobicContact CB-CZ 4.24Å; N221-F269 WeakPolarHBondContact ND2-CE1 3.25Å; N221-F269 VanDerWaalsContact ND2-CZ 3.29Å; N221-F269 WeakPolarHBondContact ND2-CZ 3.29Å; H235-F269 AromaticContact CD2-CE1 3.81Å; H235-F269 AromaticContact CE1-CE1 3.72Å; H235-F269 AromaticContact NE2-CE1 3.47Å; H235-F269 WeakPolarHBondContact NE2-CE1 3.28Å; P258-F269 HydrophobicContact CB-CD1 4.2Å; P258-F269 HydrophobicContact CB-CD2 4.32Å; P258-F269 HydrophobicContact CB-CE1 3.64Å; P258-F269 HydrophobicContact CB-CE2 3.82Å; P258-F269 HydrophobicContact CB-CZ 3.45Å; P258-F269 VanDerWaalsContact CB-CZ 3.45Å; P258-F269 HydrophobicContact CG-CD1 4.23Å; P258-F269 HydrophobicContact CG-CE1 4.11Å; P258-F269 HydrophobicContact CG-CZ 4.33Å; H267-F269 HydrophobicContact CB-CD2 4.48Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.3Å; F269-F319 CarbonylContact O-C 3.53Å; F269-F319 WeakPolarHBondContact O-CA 3.08Å; F269-F319 WeakPolarHBondContact O-CB 3.4Å; F269-F320 HydrophobicContact CB-CD1 4.09Å; F269-F320 HydrophobicContact CB-CD2 4.17Å; F269-F320 HydrophobicContact CB-CE1 3.69Å; F269-F320 HydrophobicContact CB-CE2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.32Å; F269-F320 HydrophobicContact CB-CZ 3.54Å; F269-F320 HydrophobicContact CD2-CD2 4.44Å; F269-F320 HydrophobicContact CD2-CE2 4.07Å; F269-F320 HydrophobicContact CG-CE2 4.01Å; F269-F320 HydrophobicContact CG-CZ 4.01Å; F269-F320 PolarHBondContact N-O 3.2Å; F269-F320 PolarHBondContact O-N 2.9Å; F269-C322 HydrophobicContact CD2-CB 4.06Å; F269-C322 HydrophobicContact CE2-CB 3.66Å |
| 270 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.2 | -172.6 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | I154 L158 M219 V220 V272 L317 F319 | I154-V270 HydrophobicContact CD1-CG2 4.16Å; I154-V270 HydrophobicContact CG1-CG2 4.23Å; I154-V270 HydrophobicContact CG2-CG1 3.95Å; I154-V270 HydrophobicContact CG2-CG2 4.15Å; L158-V270 HydrophobicContact CD1-CB 4.26Å; L158-V270 HydrophobicContact CD1-CG1 3.86Å; M219-V270 WeakPolarHBondContact CA-O 3.45Å; V220-V270 HydrophobicContact CG2-CB 4.2Å; V220-V270 PolarHBondContact N-O 3.27Å; V220-V270 PolarHBondContact O-N 3.37Å; V270-V272 HydrophobicContact CG1-CG2 3.87Å; V270-L317 HydrophobicContact CG1-CD1 3.42Å; V270-L317 VanDerWaalsContact CG1-CD1 3.42Å; V270-F319 HydrophobicContact CB-CB 4.3Å; V270-F319 HydrophobicContact CG1-CB 4.32Å; V270-F319 HydrophobicContact CG2-CB 4.04Å |
| 271 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.5 | 169.9 | -69.8 | 163.6 | 0 | 0 | 0 | 108.5 | L171 A173 L217 V218 M219 L317 A318 | L171-L271 HydrophobicContact CD2-CB 3.94Å; A173-L271 HydrophobicContact CB-CD1 3.79Å; L217-L271 HydrophobicContact CD1-CD2 4.34Å; V218-L271 CarbonylContact O-C 3.56Å; V218-L271 WeakPolarHBondContact O-CA 3.47Å; M219-L271 HydrophobicContact CB-CD2 3.53Å; M219-L271 HydrophobicContact CG-CD2 3.57Å; M219-L271 HydrophobicContact CG-CG 4.21Å; M219-L271 HydrophobicContact SD-CD2 4Å; L271-L317 WeakPolarHBondContact O-CA 3.46Å; L271-A318 WeakPolarHBondContact CA-O 3.45Å; L271-A318 HydrophobicContact CB-CB 4.36Å; L271-A318 WeakPolarHBondContact CB-O 3.46Å; L271-A318 PolarHBondContact N-O 2.88Å; L271-A318 PolarHBondContact O-N 3.19Å |
| 272 | V | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.5 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | L158 F165 V218 V270 F274 L301 L317 | L158-V272 HydrophobicContact CD1-CG2 4.13Å; F165-V272 HydrophobicContact CZ-CG1 4.42Å; V218-V272 PolarHBondContact N-O 3.3Å; V218-V272 PolarHBondContact O-N 2.93Å; V270-V272 HydrophobicContact CG1-CG2 3.87Å; V272-F274 HydrophobicContact CB-CE2 3.89Å; V272-F274 HydrophobicContact CB-CZ 4.24Å; V272-F274 HydrophobicContact CG1-CD1 4.44Å; V272-F274 HydrophobicContact CG1-CD2 4.01Å; V272-F274 HydrophobicContact CG1-CE1 3.99Å; V272-F274 HydrophobicContact CG1-CE2 3.48Å; V272-F274 VanDerWaalsContact CG1-CE2 3.48Å; V272-F274 HydrophobicContact CG1-CG 4.46Å; V272-F274 HydrophobicContact CG1-CZ 3.48Å; V272-F274 VanDerWaalsContact CG1-CZ 3.48Å; V272-L301 HydrophobicContact CG2-CD2 4.01Å; V272-L317 HydrophobicContact CG2-CD1 4.06Å |
| 273 | L | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.8 | 173.5 | -175.4 | 73.5 | 0 | 0 | 0 | 108.9 | V169 L171 Y207 W215 L217 A315 G316 | V169-L273 HydrophobicContact CG1-CD2 3.98Å; L171-L273 HydrophobicContact CD1-CB 4.38Å; L171-L273 HydrophobicContact CD1-CD2 4.3Å; L171-L273 HydrophobicContact CD2-CB 4.21Å; Y207-L273 HydrophobicContact CD1-CD1 4.41Å; Y207-L273 HydrophobicContact CD1-CD2 4.04Å; Y207-L273 HydrophobicContact CD2-CD2 3.87Å; Y207-L273 HydrophobicContact CE1-CD1 4.09Å; Y207-L273 HydrophobicContact CE1-CD2 4.41Å; Y207-L273 HydrophobicContact CE2-CD2 4.26Å; Y207-L273 HydrophobicContact CG-CD2 3.77Å; W215-L273 HydrophobicContact CB-CD1 4.11Å; W215-L273 HydrophobicContact CD2-CD2 4.48Å; W215-L273 HydrophobicContact CE3-CD1 4.2Å; W215-L273 HydrophobicContact CE3-CD2 3.74Å; W215-L273 HydrophobicContact CE3-CG 3.74Å; W215-L273 HydrophobicContact CZ3-CD2 3.96Å; W215-L273 HydrophobicContact CZ3-CG 4.27Å; L217-L273 HydrophobicContact CB-CD1 4.47Å; L217-L273 HydrophobicContact CD1-CD1 4.32Å; L273-A315 PolarHBondContact O-N 3.15Å; L273-G316 PolarHBondContact N-O 2.98Å; L273-G316 PolarHBondContact O-N 3.18Å |
| 274 | F | 94.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.1 | 174.7 | -57.9 | -91.5 | 0 | 0 | 0 | 111.7 | F159 W215 T216 V218 V272 L301 Y305 I312 T313 P314 | F159-F274 HydrophobicContact CE1-CE1 4.35Å; F159-F274 HydrophobicContact CE1-CZ 4.43Å; F159-F274 HydrophobicContact CZ-CE1 4.13Å; F159-F274 HydrophobicContact CZ-CZ 4.06Å; W215-F274 CarbonylContact C-O 3.54Å; W215-F274 WeakPolarHBondContact CA-O 3.38Å; T216-F274 PolarHBondContact N-O 3.18Å; T216-F274 PolarHBondContact O-N 2.72Å; V218-F274 HydrophobicContact CB-CE2 4.36Å; V218-F274 HydrophobicContact CG2-CD2 3.92Å; V218-F274 HydrophobicContact CG2-CE2 3.65Å; V272-F274 HydrophobicContact CB-CE2 3.89Å; V272-F274 HydrophobicContact CB-CZ 4.24Å; V272-F274 HydrophobicContact CG1-CD1 4.44Å; V272-F274 HydrophobicContact CG1-CD2 4.01Å; V272-F274 HydrophobicContact CG1-CE1 3.99Å; V272-F274 HydrophobicContact CG1-CE2 3.48Å; V272-F274 VanDerWaalsContact CG1-CE2 3.48Å; V272-F274 HydrophobicContact CG1-CG 4.46Å; V272-F274 HydrophobicContact CG1-CZ 3.48Å; V272-F274 VanDerWaalsContact CG1-CZ 3.48Å; F274-L301 HydrophobicContact CE2-CD1 3.98Å; F274-L301 HydrophobicContact CZ-CD1 3.9Å; F274-L301 HydrophobicContact CZ-CD2 4.29Å; F274-L301 HydrophobicContact CZ-CG 4.34Å; F274-Y305 HydrophobicContact CD1-CD2 4.49Å; F274-Y305 AromaticContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CE2 4.36Å; F274-I312 HydrophobicContact CB-CG2 3.25Å; F274-I312 HydrophobicContact CD1-CG2 3.25Å; F274-I312 HydrophobicContact CD2-CG2 4.22Å; F274-I312 HydrophobicContact CE1-CG2 4.07Å; F274-I312 HydrophobicContact CG-CG2 3.33Å; F274-T313 CarbonylContact C-O 3.53Å; F274-T313 WeakPolarHBondContact CA-O 3.44Å; F274-P314 VanDerWaalsContact CD1-CA 3.49Å; F274-P314 HydrophobicContact CD1-CB 3.8Å; F274-P314 HydrophobicContact CE1-CB 3.78Å; F274-P314 HydrophobicContact CE1-CG 4.42Å |
| 275 | K | 93.9 | Very high | 85.5 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131 | 170 | -166.1 | 171.8 | -173.7 | 169.5 | 0 | 109.2 | F96 D210 W215 I312 T313 A315 | F96-K275 HydrophobicContact CE2-CB 3.82Å; F96-K275 HydrophobicContact CE2-CD 4.16Å; F96-K275 HydrophobicContact CZ-CB 3.81Å; F96-K275 HydrophobicContact CZ-CD 3.71Å; F96-K275 HydrophobicContact CZ-CG 4.25Å; D210-K275 IonicContact OD2-NZ 3.19Å; W215-K275 HydrophobicContact CD2-CG 4.44Å; W215-K275 HydrophobicContact CE3-CB 3.83Å; W215-K275 HydrophobicContact CE3-CG 4.2Å; W215-K275 HydrophobicContact CH2-CB 3.86Å; W215-K275 HydrophobicContact CH2-CD 3.7Å; W215-K275 HydrophobicContact CH2-CG 3.74Å; W215-K275 HydrophobicContact CZ2-CD 4Å; W215-K275 HydrophobicContact CZ2-CG 3.97Å; W215-K275 HydrophobicContact CZ3-CB 3.48Å; W215-K275 VanDerWaalsContact CZ3-CB 3.48Å; W215-K275 HydrophobicContact CZ3-CD 4.25Å; W215-K275 HydrophobicContact CZ3-CG 3.86Å; K275-I312 WeakPolarHBondContact O-CA 3.4Å; K275-T313 PolarHBondContact N-O 2.94Å; K275-T313 PolarHBondContact O-N 3.1Å; K275-A315 HydrophobicContact CB-CB 4.37Å |
| 276 | Q | 92.5 | Very high | 83.7 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.9 | 174.7 | -58.3 | 178.9 | -20.7 | 0 | 0 | 110.8 | Y214 T216 N240 F282 Y311 I312 | Y214-Q276 WeakPolarHBondContact O-CB 3.25Å; Y214-Q276 PolarHBondContact O-N 2.85Å; T216-Q276 PolarHBondContact OG1-NE2 3.2Å; N240-Q276 PolarHBondContact OD1-NE2 3.43Å; N240-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N240-Q276 PolarHBondContact OD1-OE1 2.81Å; N240-Q276 VanDerWaalsContact OD1-OE1 3.04Å; Q276-F282 VanDerWaalsContact NE2-CZ 3.31Å; Q276-Y311 CarbonylContact C-O 3.56Å; Q276-Y311 VanDerWaalsContact CA-O 3.29Å; Q276-Y311 WeakPolarHBondContact CA-O 3.39Å; Q276-I312 HydrophobicContact CG-CG1 4.4Å |
| 277 | N | 88.6 | Confident | 81.4 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -76.1 | -33.7 | 173 | -69.3 | -25.2 | 0 | 0 | 0 | 112.4 | D310 Y311 | N277-D310 PolarHBondContact ND2-O 3.18Å; N277-D310 VanDerWaalsContact ND2-O 3.11Å; N277-Y311 PolarHBondContact N-O 3.44Å |
| 278 | S | 85.3 | Confident | 79.5 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -152.6 | 155.4 | -179.7 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | R280 | S278-R280 PolarHBondContact O-N 3.23Š|
| 279 | R | 84.7 | Confident | 77.8 | Confident | 154 Ų | 154 | 56 Ų | 56 | 58% | 0.581 | 33% | 0.326 | S | S | * | . | trans | -63.1 | 128.1 | 175.5 | -173.1 | 176 | -175.3 | 177.2 | 4.9 | 109.8 | Y214 N240 D250 | Y214-R279 HydrophobicContact CD1-CB 4.34Å; Y214-R279 HydrophobicContact CD2-CB 4.26Å; Y214-R279 HydrophobicContact CE1-CB 4.1Å; Y214-R279 HydrophobicContact CE1-CG 4.33Å; Y214-R279 HydrophobicContact CE2-CB 4.03Å; Y214-R279 HydrophobicContact CG-CB 4.41Å; N240-R279 HydrophobicContact CB-CG 4.12Å; D250-R279 IonicContact OD1-NH2 3.4Å; D250-R279 IonicContact OD2-NH2 3.11Å; D250-R279 PolarHBondContact OD2-NH2 3.35Å | ||
| 280 | R | 79.9 | Confident | 76.1 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | trans | -138.9 | 142.4 | -179.1 | -169.5 | 173.6 | -179.5 | -168.6 | -3.6 | 111.4 | N240 S278 F282 | N240-R280 PolarHBondContact ND2-O 2.84Å; N240-R280 PolarHBondContact OD1-N 3.21Å; N240-R280 PolarHBondContact OD1-O 2.93Å; S278-R280 PolarHBondContact O-N 3.23Å; R280-F282 HydrophobicContact CB-CE2 4.47Å; R280-F282 HydrophobicContact CB-CZ 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 WeakPolarHBondContact O-CE2 3.48Å | ||
| 281 | Q | 77.1 | Confident | 74.5 | Confident | 163 Ų | 163 | 62.5 Ų | 62.5 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | trans | -82.4 | 118.5 | 167 | -68.1 | 179.7 | 1.5 | 0 | 0 | 108.7 | T283 | Q281-T283 PolarHBondContact O-N 2.84Š| ||
| 282 | F | 73.8 | Confident | 73 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 10% | 0.096 | 38% | 0.381 | C | S | . | . | trans | -82.9 | 98.2 | 177 | -63.4 | -90 | 0 | 0 | 0 | 109.1 | C239 L252 Q276 R280 A284 F304 N308 I312 | C239-F282 HydrophobicContact CB-CD2 3.53Å; C239-F282 HydrophobicContact CB-CE2 3.63Å; C239-F282 WeakPolarHBondContact SG-CD2 3.49Å; L252-F282 HydrophobicContact CD1-CB 3.75Å; L252-F282 HydrophobicContact CD1-CD2 4.38Å; L252-F282 HydrophobicContact CD1-CG 4.34Å; Q276-F282 VanDerWaalsContact NE2-CZ 3.31Å; R280-F282 HydrophobicContact CB-CE2 4.47Å; R280-F282 HydrophobicContact CB-CZ 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 WeakPolarHBondContact O-CE2 3.48Å; F282-A284 PolarHBondContact O-N 3.42Å; F282-F304 AromaticContact CD1-CE2 3.85Å; F282-F304 HydrophobicContact CD1-CE2 3.85Å; F282-F304 AromaticContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CE1-CE2 4.43Å; F282-F304 HydrophobicContact CE1-CZ 4.06Å; F282-N308 WeakPolarHBondContact CD1-ND2 3.48Å; F282-N308 WeakPolarHBondContact CE1-ND2 3.35Å; F282-I312 HydrophobicContact CD1-CD1 4.47Å; F282-I312 HydrophobicContact CE1-CD1 3.34Å; F282-I312 HydrophobicContact CE1-CG1 4.27Å; F282-I312 HydrophobicContact CZ-CD1 3.59Å; F282-I312 HydrophobicContact CZ-CG1 4.31Å | ||
| 283 | T | 60.3 | Low | 72 | Confident | 127 Ų | 127 | 75 Ų | 75 | 78% | 0.779 | 41% | 0.41 | S | S | * | . | trans | -88.6 | 74.2 | 175.7 | 54 | 0 | 0 | 0 | 0 | 109.6 | Q281 | Q281-T283 PolarHBondContact O-N 2.84Š| ||
| 284 | A | 56.9 | Low | 71.1 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 72% | 0.719 | 42% | 0.416 | S | S | * | . | trans | -166.1 | -25.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | F282 G286 | F282-A284 PolarHBondContact O-N 3.42Å; A284-G286 PolarHBondContact O-N 3.33Å | ||
| 285 | V | 58.3 | Low | 70.3 | Confident | 22 Ų | 22 | 80 Ų | 80 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -93.9 | 88.3 | -173.2 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | L234 L237 F299 F304 | L234-V285 HydrophobicContact CD2-CG1 3.71Å; L237-V285 HydrophobicContact CD2-CB 3.84Å; L237-V285 HydrophobicContact CD2-CG1 3.72Å; L237-V285 HydrophobicContact CD2-CG2 3.76Å; V285-F299 HydrophobicContact CG1-CD2 4.29Å; V285-F299 HydrophobicContact CG1-CE2 4.22Å; V285-F299 HydrophobicContact CG2-CE2 3.98Å; V285-F304 HydrophobicContact CG2-CD2 3.98Å; V285-F304 HydrophobicContact CG2-CE2 4.05Å |
| 286 | G | 53.2 | Low | 69.7 | Low | 40 Ų | 40 | 82 Ų | 82 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | trans | 38.9 | 97.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A284 S288 Q291 | A284-G286 PolarHBondContact O-N 3.33Å; G286-S288 PolarHBondContact O-N 3.04Å; G286-Q291 PolarHBondContact O-NE2 3.43Å | ||
| 287 | S | 46.7 | Very low | 69.3 | Low | 142 Ų | 142 | 82.1 Ų | 82.1 | 99% | 0.993 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -57.3 | 24.6 | -170.3 | -46.4 | 0 | 0 | 0 | 0 | 119.3 | ||
| 288 | S | 54 | Low | 69.2 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | trans | -138.2 | 120.4 | 170.7 | -172.1 | 0 | 0 | 0 | 0 | 110 | G286 E290 Q291 | G286-S288 PolarHBondContact O-N 3.04Å; S288-E290 PolarHBondContact O-N 3.23Å; S288-Q291 VanDerWaalsContact O-CG 3.28Å; S288-Q291 WeakPolarHBondContact O-CG 3.36Å; S288-Q291 PolarHBondContact O-N 3.39Å | ||
| 289 | A | 57.8 | Low | 69.3 | Low | 45 Ų | 45 | 77.6 Ų | 77.6 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N254 | N254-A289 WeakPolarHBondContact CB-O 3.26Å; N254-A289 PolarHBondContact N-O 3.45Å; N254-A289 PolarHBondContact ND2-O 2.87Å |
| 290 | E | 59.6 | Low | 69.5 | Low | 133 Ų | 133 | 71.2 Ų | 71.2 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.3 | -170.9 | -65.7 | -174.1 | 168.4 | 0 | 0 | 115.1 | S288 I292 | S288-E290 PolarHBondContact O-N 3.23Å; E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 HydrophobicContact CB-CD1 4.49Å; E290-I292 HydrophobicContact CB-CG1 4.22Å; E290-I292 WeakPolarHBondContact O-CA 3.42Å; E290-I292 WeakPolarHBondContact O-CG1 3.35Å; E290-I292 PolarHBondContact O-N 3.36Å |
| 291 | Q | 61.9 | Low | 70 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 2% | 0.023 | 38% | 0.383 | C | S | . | . | trans | -2.6 | 75.3 | -178.5 | -61.8 | -173.3 | -11.4 | 0 | 0 | 114.8 | C253 G286 S288 R293 R297 | C253-Q291 PolarHBondContact SG-OE1 3.38Å; G286-Q291 PolarHBondContact O-NE2 3.43Å; S288-Q291 VanDerWaalsContact O-CG 3.28Å; S288-Q291 WeakPolarHBondContact O-CG 3.36Å; S288-Q291 PolarHBondContact O-N 3.39Å; Q291-R293 VanDerWaalsContact C-N 3.33Å; Q291-R297 HydrophobicContact CB-CG 4.19Å; Q291-R297 PolarHBondContact O-NE 3.4Å; Q291-R297 PolarHBondContact O-NH2 2.97Å | ||
| 292 | I | 65.2 | Low | 70.7 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | trans | -80.8 | -23.2 | -172.2 | -55.2 | 178.9 | 0 | 0 | 0 | 109.5 | E290 K335 L336 | E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 HydrophobicContact CB-CD1 4.49Å; E290-I292 HydrophobicContact CB-CG1 4.22Å; E290-I292 WeakPolarHBondContact O-CA 3.42Å; E290-I292 WeakPolarHBondContact O-CG1 3.35Å; E290-I292 PolarHBondContact O-N 3.36Å; I292-K335 VanDerWaalsContact CG2-O 3.27Å; I292-K335 WeakPolarHBondContact CG2-O 2.9Å; I292-L336 WeakPolarHBondContact O-CD2 3.15Å | ||
| 293 | R | 72.8 | Confident | 71.4 | Confident | 163 Ų | 163 | 66.4 Ų | 66.4 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -95.8 | 137.7 | -179.5 | -63.7 | -171 | 176.5 | 112.8 | 0.5 | 111.4 | Q291 D295 E296 R297 | Q291-R293 VanDerWaalsContact C-N 3.33Å; R293-D295 PolarHBondContact O-N 3.43Å; R293-E296 HydrophobicContact CB-CG 4.33Å; R293-E296 IonicContact NH1-OE1 2.6Å; R293-E296 PolarHBondContact O-N 3.02Å; R293-R297 WeakPolarHBondContact O-CG 3.5Å |
| 294 | L | 76.1 | Confident | 72.8 | Confident | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.5 | 174.6 | -69.6 | -179.3 | 0 | 0 | 0 | 112.7 | Y227 L256 E296 R297 F332 L336 M338 | Y227-L294 HydrophobicContact CE2-CB 3.82Å; L256-L294 HydrophobicContact CD2-CD2 4.18Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 PolarHBondContact O-N 3.11Å; L294-R297 WeakPolarHBondContact O-CB 3.49Å; L294-R297 PolarHBondContact O-N 3.02Å; L294-R297 VanDerWaalsContact O-N 3.12Å; L294-F332 HydrophobicContact CD1-CE1 3.92Å; L294-L336 HydrophobicContact CD1-CD1 3.8Å; L294-L336 HydrophobicContact CD2-CD1 3.89Å; L294-L336 HydrophobicContact CD2-CD2 4.12Å; L294-L336 HydrophobicContact CG-CD1 3.77Å; L294-L336 HydrophobicContact CG-CD2 4.1Å; L294-M338 HydrophobicContact CD1-CE 4.31Å; L294-M338 HydrophobicContact CD1-SD 3.68Å; L294-M338 HydrophobicContact CG-SD 4.3Å |
| 295 | D | 77.8 | Confident | 74.4 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -55.8 | -46.2 | 176.4 | -67.6 | -55.3 | 0 | 0 | 0 | 112 | Y227 R293 R297 T298 | Y227-D295 WeakPolarHBondContact CD1-OD1 3.29Å; Y227-D295 WeakPolarHBondContact CD2-OD1 3.48Å; Y227-D295 WeakPolarHBondContact CE1-OD1 3.47Å; Y227-D295 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-D295 PolarHBondContact OH-OD1 2.98Å; R293-D295 PolarHBondContact O-N 3.43Å; D295-R297 PolarHBondContact O-N 2.98Å; D295-T298 WeakPolarHBondContact O-CB 3.29Å; D295-T298 PolarHBondContact O-N 3.11Å; D295-T298 PolarHBondContact O-OG1 3.33Å |
| 296 | E | 81.3 | Confident | 75.9 | Confident | 95 Ų | 95 | 61.9 Ų | 61.9 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -71.2 | -17.1 | -178 | -65.1 | 172.2 | -166.7 | 0 | 0 | 112.6 | R293 L294 T298 | R293-E296 HydrophobicContact CB-CG 4.33Å; R293-E296 IonicContact NH1-OE1 2.6Å; R293-E296 PolarHBondContact O-N 3.02Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 PolarHBondContact O-N 3.11Å; E296-T298 VanDerWaalsContact C-N 3.32Å |
| 297 | R | 84.6 | Confident | 77.7 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -86 | -4.3 | 177.5 | -59.5 | -123 | 179.4 | -160.9 | -4.7 | 113.1 | V233 L234 H235 C253 N254 Q291 R293 L294 D295 F299 | V233-R297 HydrophobicContact CG1-CB 3.99Å; L234-R297 PolarHBondContact N-O 3Å; L234-R297 WeakPolarHBondContact O-CD 3.43Å; L234-R297 PolarHBondContact O-NH1 3.46Å; H235-R297 PolarHBondContact O-NH1 2.84Å; C253-R297 PolarHBondContact SG-NH1 3.12Å; N254-R297 PolarHBondContact O-NH1 3.12Å; N254-R297 PolarHBondContact O-NH2 2.71Å; Q291-R297 HydrophobicContact CB-CG 4.19Å; Q291-R297 PolarHBondContact O-NE 3.4Å; Q291-R297 PolarHBondContact O-NH2 2.97Å; R293-R297 WeakPolarHBondContact O-CG 3.5Å; L294-R297 WeakPolarHBondContact O-CB 3.49Å; L294-R297 PolarHBondContact O-N 3.02Å; L294-R297 VanDerWaalsContact O-N 3.12Å; D295-R297 PolarHBondContact O-N 2.98Å; R297-F299 PolarHBondContact O-N 3.41Å |
| 298 | T | 86.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 118.1 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | N225 N231 D295 E296 | N225-T298 WeakPolarHBondContact ND2-CG2 3.34Å; N231-T298 HydrophobicContact CB-CG2 3.7Å; D295-T298 WeakPolarHBondContact O-CB 3.29Å; D295-T298 PolarHBondContact O-N 3.11Å; D295-T298 PolarHBondContact O-OG1 3.33Å; E296-T298 VanDerWaalsContact C-N 3.32Å |
| 299 | F | 86.9 | Confident | 81.3 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.5 | -172.5 | -176.8 | -105.9 | 0 | 0 | 0 | 111 | V218 V220 E232 L234 V285 R297 L301 F304 | V218-F299 HydrophobicContact CG1-CE1 4.33Å; V220-F299 HydrophobicContact CG1-CD1 3.97Å; V220-F299 HydrophobicContact CG1-CE1 4.34Å; E232-F299 WeakPolarHBondContact CA-O 3.39Å; E232-F299 PolarHBondContact N-O 2.66Å; E232-F299 PolarHBondContact O-N 2.76Å; E232-F299 VanDerWaalsContact O-O 3.1Å; L234-F299 HydrophobicContact CB-CB 3.78Å; L234-F299 HydrophobicContact CB-CG 4.21Å; L234-F299 HydrophobicContact CD1-CD1 4.17Å; L234-F299 HydrophobicContact CD1-CE1 4.4Å; L234-F299 HydrophobicContact CD1-CG 4.41Å; L234-F299 HydrophobicContact CD2-CD2 4.41Å; L234-F299 HydrophobicContact CD2-CG 4.48Å; V285-F299 HydrophobicContact CG1-CD2 4.29Å; V285-F299 HydrophobicContact CG1-CE2 4.22Å; V285-F299 HydrophobicContact CG2-CE2 3.98Å; R297-F299 PolarHBondContact O-N 3.41Å; F299-L301 HydrophobicContact CD1-CB 4.44Å; F299-L301 VanDerWaalsContact CE1-CA 3.46Å; F299-L301 HydrophobicContact CE1-CB 3.93Å; F299-L301 HydrophobicContact CE1-CD1 3.79Å; F299-L301 HydrophobicContact CZ-CD1 4.36Å; F299-F304 HydrophobicContact CE1-CB 4.26Å; F299-F304 HydrophobicContact CE2-CB 3.84Å; F299-F304 HydrophobicContact CE2-CD2 4.23Å; F299-F304 HydrophobicContact CE2-CG 4.17Å; F299-F304 HydrophobicContact CZ-CB 3.35Å; F299-F304 HydrophobicContact CZ-CD1 4.14Å; F299-F304 HydrophobicContact CZ-CD2 4.03Å; F299-F304 AromaticContact CZ-CG 3.59Å; F299-F304 HydrophobicContact CZ-CG 3.59Å |
| 300 | S | 89.2 | Confident | 82.7 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | trans | -129.3 | 107.5 | 172.8 | 172.6 | 0 | 0 | 0 | 0 | 107 | L302 K303 F304 | S300-L302 PolarHBondContact O-N 3.19Å; S300-K303 PolarHBondContact O-N 3.35Å; S300-F304 PolarHBondContact O-N 3.26Å | ||
| 301 | L | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -35.4 | -178.3 | -176 | 65.1 | 0 | 0 | 0 | 111.1 | L158 F159 V218 E232 V272 F274 F299 K303 F304 Y305 | L158-L301 HydrophobicContact CB-CD2 4.21Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.23Å; L158-L301 HydrophobicContact CG-CD2 4.38Å; F159-L301 HydrophobicContact CE2-CD2 4.32Å; F159-L301 HydrophobicContact CZ-CD2 3.95Å; V218-L301 HydrophobicContact CB-CD1 4.42Å; V218-L301 HydrophobicContact CG1-CD1 4.09Å; V218-L301 HydrophobicContact CG2-CD1 4.38Å; E232-L301 PolarHBondContact OE1-N 2.91Å; E232-L301 VanDerWaalsContact OE2-CB 3.32Å; E232-L301 WeakPolarHBondContact OE2-CB 3.32Å; V272-L301 HydrophobicContact CG2-CD2 4.01Å; F274-L301 HydrophobicContact CE2-CD1 3.98Å; F274-L301 HydrophobicContact CZ-CD1 3.9Å; F274-L301 HydrophobicContact CZ-CD2 4.29Å; F274-L301 HydrophobicContact CZ-CG 4.34Å; F299-L301 HydrophobicContact CD1-CB 4.44Å; F299-L301 VanDerWaalsContact CE1-CA 3.46Å; F299-L301 HydrophobicContact CE1-CB 3.93Å; F299-L301 HydrophobicContact CE1-CD1 3.79Å; F299-L301 HydrophobicContact CZ-CD1 4.36Å; L301-K303 PolarHBondContact O-N 3.15Å; L301-F304 HydrophobicContact CD1-CD1 4.19Å; L301-F304 WeakPolarHBondContact O-CB 3.49Å; L301-F304 PolarHBondContact O-N 3.35Å; L301-Y305 WeakPolarHBondContact O-CB 3.48Å; L301-Y305 PolarHBondContact O-N 3.04Å |
| 302 | L | 90.4 | Very high | 85.5 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 173.9 | -179.4 | 133.1 | 0 | 0 | 0 | 112.9 | L158 E160 S300 F304 Y305 M306 | L158-L302 WeakPolarHBondContact O-CB 3.42Å; L158-L302 PolarHBondContact O-N 3.36Å; E160-L302 HydrophobicContact CB-CD1 4.43Å; E160-L302 HydrophobicContact CG-CD1 3.5Å; E160-L302 VanDerWaalsContact CG-CD1 3.5Å; S300-L302 PolarHBondContact O-N 3.19Å; L302-F304 VanDerWaalsContact C-N 3.3Å; L302-F304 PolarHBondContact O-N 3.36Å; L302-Y305 PolarHBondContact O-N 2.88Å; L302-M306 HydrophobicContact CD1-CE 4.1Å; L302-M306 HydrophobicContact CD2-CE 3.59Å; L302-M306 HydrophobicContact CD2-SD 3.63Å; L302-M306 HydrophobicContact CG-CE 3.84Å; L302-M306 HydrophobicContact CG-SD 4.2Å; L302-M306 WeakPolarHBondContact O-CB 3.42Å; L302-M306 WeakPolarHBondContact O-CG 3.07Å; L302-M306 PolarHBondContact O-N 3.41Å |
| 303 | K | 89.7 | Confident | 86.9 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | -179.9 | -71 | 178.4 | -176.1 | 165.3 | 0 | 111.7 | S300 L301 A307 | S300-K303 PolarHBondContact O-N 3.35Å; L301-K303 PolarHBondContact O-N 3.15Å; K303-A307 WeakPolarHBondContact O-CB 2.99Å; K303-A307 PolarHBondContact O-N 3.38Å; K303-A307 VanDerWaalsContact O-N 3.12Å |
| 304 | F | 89.6 | Confident | 87.9 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.9 | 174.9 | -98.2 | 0 | 0 | 0 | 111.5 | F282 V285 F299 S300 L301 L302 A307 N308 I312 | F282-F304 AromaticContact CD1-CE2 3.85Å; F282-F304 HydrophobicContact CD1-CE2 3.85Å; F282-F304 AromaticContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CE1-CE2 4.43Å; F282-F304 HydrophobicContact CE1-CZ 4.06Å; V285-F304 HydrophobicContact CG2-CD2 3.98Å; V285-F304 HydrophobicContact CG2-CE2 4.05Å; F299-F304 HydrophobicContact CE1-CB 4.26Å; F299-F304 HydrophobicContact CE2-CB 3.84Å; F299-F304 HydrophobicContact CE2-CD2 4.23Å; F299-F304 HydrophobicContact CE2-CG 4.17Å; F299-F304 HydrophobicContact CZ-CB 3.35Å; F299-F304 HydrophobicContact CZ-CD1 4.14Å; F299-F304 HydrophobicContact CZ-CD2 4.03Å; F299-F304 AromaticContact CZ-CG 3.59Å; F299-F304 HydrophobicContact CZ-CG 3.59Å; S300-F304 PolarHBondContact O-N 3.26Å; L301-F304 HydrophobicContact CD1-CD1 4.19Å; L301-F304 WeakPolarHBondContact O-CB 3.49Å; L301-F304 PolarHBondContact O-N 3.35Å; L302-F304 VanDerWaalsContact C-N 3.3Å; L302-F304 PolarHBondContact O-N 3.36Å; F304-A307 PolarHBondContact O-N 2.98Å; F304-N308 WeakPolarHBondContact O-CB 3.33Å; F304-N308 PolarHBondContact O-N 2.9Å; F304-N308 PolarHBondContact O-OD1 3.37Å; F304-I312 HydrophobicContact CE1-CD1 3.98Å; F304-I312 HydrophobicContact CZ-CD1 4Å |
| 305 | Y | 91 | Very high | 88.7 | Confident | 18 Ų | 18 | 49 Ų | 49 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 177.2 | -179.3 | -106.4 | 0 | 0 | 0 | 111.5 | I94 F159 F274 L301 L302 A307 N308 E309 I312 P314 | I94-Y305 HydrophobicContact CB-CE1 4.45Å; I94-Y305 HydrophobicContact CD1-CE1 4.3Å; I94-Y305 PolarHBondContact O-OH 3.08Å; F159-Y305 HydrophobicContact CD1-CD1 4.2Å; F159-Y305 HydrophobicContact CD1-CG 4.35Å; F159-Y305 HydrophobicContact CE1-CD1 4.22Å; F159-Y305 HydrophobicContact CE1-CD2 4.28Å; F159-Y305 AromaticContact CE1-CG 3.94Å; F159-Y305 HydrophobicContact CE1-CG 3.94Å; F274-Y305 HydrophobicContact CD1-CD2 4.49Å; F274-Y305 AromaticContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CE2 4.36Å; L301-Y305 WeakPolarHBondContact O-CB 3.48Å; L301-Y305 PolarHBondContact O-N 3.04Å; L302-Y305 PolarHBondContact O-N 2.88Å; Y305-A307 VanDerWaalsContact C-N 3.29Å; Y305-A307 PolarHBondContact O-N 3.13Å; Y305-N308 CarbonylContact O-C 3.34Å; Y305-N308 PolarHBondContact O-N 3.41Å; Y305-E309 HydrophobicContact CE1-CG 4.18Å; Y305-E309 WeakPolarHBondContact O-CA 3.42Å; Y305-E309 PolarHBondContact O-N 2.99Å; Y305-I312 WeakPolarHBondContact CE2-O 3.33Å; Y305-P314 HydrophobicContact CE2-CG 4.47Å |
| 306 | M | 89.6 | Confident | 89.4 | Confident | 110 Ų | 110 | 45.1 Ų | 45.1 | 54% | 0.542 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.4 | -37.2 | 178.1 | -74.7 | -178.7 | 173.2 | 0 | 0 | 113.1 | L302 N308 | L302-M306 HydrophobicContact CD1-CE 4.1Å; L302-M306 HydrophobicContact CD2-CE 3.59Å; L302-M306 HydrophobicContact CD2-SD 3.63Å; L302-M306 HydrophobicContact CG-CE 3.84Å; L302-M306 HydrophobicContact CG-SD 4.2Å; L302-M306 WeakPolarHBondContact O-CB 3.42Å; L302-M306 WeakPolarHBondContact O-CG 3.07Å; L302-M306 PolarHBondContact O-N 3.41Å; M306-N308 PolarHBondContact O-N 2.92Å |
| 307 | A | 89.7 | Confident | 90 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 58% | 0.579 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72 | -17.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K303 F304 Y305 | K303-A307 WeakPolarHBondContact O-CB 2.99Å; K303-A307 PolarHBondContact O-N 3.38Å; K303-A307 VanDerWaalsContact O-N 3.12Å; F304-A307 PolarHBondContact O-N 2.98Å; Y305-A307 VanDerWaalsContact C-N 3.29Å; Y305-A307 PolarHBondContact O-N 3.13Å |
| 308 | N | 88.8 | Confident | 90.4 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -128.6 | 10.8 | -168.6 | -69.6 | 77.6 | 0 | 0 | 0 | 113.7 | F282 F304 Y305 M306 D310 Y311 I312 | F282-N308 WeakPolarHBondContact CD1-ND2 3.48Å; F282-N308 WeakPolarHBondContact CE1-ND2 3.35Å; F304-N308 WeakPolarHBondContact O-CB 3.33Å; F304-N308 PolarHBondContact O-N 2.9Å; F304-N308 PolarHBondContact O-OD1 3.37Å; Y305-N308 CarbonylContact O-C 3.34Å; Y305-N308 PolarHBondContact O-N 3.41Å; M306-N308 PolarHBondContact O-N 2.92Å; N308-D310 VanDerWaalsContact C-N 3.27Å; N308-D310 PolarHBondContact O-N 3.4Å; N308-Y311 PolarHBondContact O-N 3.26Å; N308-I312 HydrophobicContact CB-CB 4.43Å; N308-I312 HydrophobicContact CB-CD1 3.97Å; N308-I312 HydrophobicContact CB-CG1 4.21Å; N308-I312 PolarHBondContact O-N 2.67Å |
| 309 | E | 87.7 | Confident | 90.8 | Very high | 107 Ų | 107 | 38 Ų | 38 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -39.9 | -173.6 | -175.7 | 175.7 | -174.8 | 0 | 0 | 112.5 | Y305 Y311 | Y305-E309 HydrophobicContact CE1-CG 4.18Å; Y305-E309 WeakPolarHBondContact O-CA 3.42Å; Y305-E309 PolarHBondContact O-N 2.99Å; E309-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 VanDerWaalsContact O-N 3.14Å |
| 310 | D | 87.6 | Confident | 91.2 | Very high | 133 Ų | 133 | 36.9 Ų | 36.9 | 71% | 0.711 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.6 | 178.3 | -63.3 | -33.5 | 0 | 0 | 0 | 113.8 | N277 N308 | N277-D310 PolarHBondContact ND2-O 3.18Å; N277-D310 VanDerWaalsContact ND2-O 3.11Å; N308-D310 VanDerWaalsContact C-N 3.27Å; N308-D310 PolarHBondContact O-N 3.4Å |
| 311 | Y | 89.4 | Confident | 91.6 | Very high | 90 Ų | 90 | 38 Ų | 38 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -26.5 | -169.6 | -60.4 | -88.1 | 0 | 0 | 0 | 113.4 | Q276 N277 N308 E309 | Q276-Y311 CarbonylContact C-O 3.56Å; Q276-Y311 VanDerWaalsContact CA-O 3.29Å; Q276-Y311 WeakPolarHBondContact CA-O 3.39Å; N277-Y311 PolarHBondContact N-O 3.44Å; N308-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 VanDerWaalsContact O-N 3.14Å |
| 312 | I | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.9 | -169.4 | -70.1 | -169.3 | 0 | 0 | 0 | 108.3 | F274 K275 Q276 F282 F304 Y305 N308 | F274-I312 HydrophobicContact CB-CG2 3.25Å; F274-I312 HydrophobicContact CD1-CG2 3.25Å; F274-I312 HydrophobicContact CD2-CG2 4.22Å; F274-I312 HydrophobicContact CE1-CG2 4.07Å; F274-I312 HydrophobicContact CG-CG2 3.33Å; K275-I312 WeakPolarHBondContact O-CA 3.4Å; Q276-I312 HydrophobicContact CG-CG1 4.4Å; F282-I312 HydrophobicContact CD1-CD1 4.47Å; F282-I312 HydrophobicContact CE1-CD1 3.34Å; F282-I312 HydrophobicContact CE1-CG1 4.27Å; F282-I312 HydrophobicContact CZ-CD1 3.59Å; F282-I312 HydrophobicContact CZ-CG1 4.31Å; F304-I312 HydrophobicContact CE1-CD1 3.98Å; F304-I312 HydrophobicContact CZ-CD1 4Å; Y305-I312 WeakPolarHBondContact CE2-O 3.33Å; N308-I312 HydrophobicContact CB-CB 4.43Å; N308-I312 HydrophobicContact CB-CD1 3.97Å; N308-I312 HydrophobicContact CB-CG1 4.21Å; N308-I312 PolarHBondContact O-N 2.67Å |
| 313 | T | 93.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 42 Ų | 42 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.9 | 175 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | F96 F274 K275 A315 | F96-T313 HydrophobicContact CD1-CG2 4.47Å; F96-T313 HydrophobicContact CD2-CG2 4.02Å; F96-T313 HydrophobicContact CE1-CG2 4.17Å; F96-T313 HydrophobicContact CE2-CG2 3.69Å; F96-T313 HydrophobicContact CG-CG2 4.39Å; F96-T313 HydrophobicContact CZ-CG2 3.76Å; F274-T313 CarbonylContact C-O 3.53Å; F274-T313 WeakPolarHBondContact CA-O 3.44Å; K275-T313 PolarHBondContact N-O 2.94Å; K275-T313 PolarHBondContact O-N 3.1Å; T313-A315 PolarHBondContact O-N 3.02Å |
| 314 | P | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.2 | 179.9 | 26.5 | -33.4 | 0 | 0 | 0 | 110.4 | I94 F165 F274 Y305 | I94-P314 HydrophobicContact CD1-CG 4.03Å; I94-P314 HydrophobicContact CG1-CG 3.88Å; F165-P314 HydrophobicContact CB-CG 4.12Å; F165-P314 HydrophobicContact CD1-CB 3.86Å; F165-P314 HydrophobicContact CD1-CG 3.99Å; F165-P314 HydrophobicContact CD2-CB 3.96Å; F165-P314 HydrophobicContact CD2-CG 4.42Å; F165-P314 HydrophobicContact CE1-CB 3.94Å; F165-P314 HydrophobicContact CE2-CB 4.04Å; F165-P314 HydrophobicContact CG-CB 3.88Å; F165-P314 HydrophobicContact CG-CG 3.94Å; F165-P314 HydrophobicContact CZ-CB 4.04Å; F274-P314 VanDerWaalsContact CD1-CA 3.49Å; F274-P314 HydrophobicContact CD1-CB 3.8Å; F274-P314 HydrophobicContact CE1-CB 3.78Å; F274-P314 HydrophobicContact CE1-CG 4.42Å; Y305-P314 HydrophobicContact CE2-CG 4.47Å |
| 315 | A | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | -37.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F96 P167 V168 V169 W215 L273 K275 T313 | F96-A315 HydrophobicContact CD2-CB 4.08Å; F96-A315 HydrophobicContact CE2-CB 3.86Å; P167-A315 CarbonylContact C-O 3.45Å; P167-A315 VanDerWaalsContact CA-O 3.25Å; P167-A315 WeakPolarHBondContact CA-O 3.29Å; V168-A315 PolarHBondContact N-O 3.42Å; V169-A315 HydrophobicContact CB-CB 4.39Å; V169-A315 HydrophobicContact CG2-CB 3.95Å; V169-A315 PolarHBondContact N-O 3.33Å; W215-A315 HydrophobicContact CH2-CB 4.41Å; W215-A315 HydrophobicContact CZ3-CB 3.65Å; L273-A315 PolarHBondContact O-N 3.15Å; K275-A315 HydrophobicContact CB-CB 4.37Å; T313-A315 PolarHBondContact O-N 3.02Å |
| 316 | G | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V169 L273 | V169-G316 WeakPolarHBondContact O-CA 3.43Å; L273-G316 PolarHBondContact N-O 2.98Å; L273-G316 PolarHBondContact O-N 3.18Å |
| 317 | L | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 133.1 | -178.7 | -176.8 | 69.1 | 0 | 0 | 0 | 108.7 | A149 I154 F165 P167 F190 V270 L271 V272 F319 | A149-L317 HydrophobicContact CB-CD2 3.65Å; I154-L317 HydrophobicContact CG2-CD1 4.37Å; F165-L317 HydrophobicContact CE2-CB 4.2Å; F165-L317 HydrophobicContact CZ-CB 4.03Å; F165-L317 HydrophobicContact CZ-CD1 4.3Å; P167-L317 HydrophobicContact CB-CB 4.04Å; F190-L317 WeakPolarHBondContact CE1-O 3.36Å; V270-L317 HydrophobicContact CG1-CD1 3.42Å; V270-L317 VanDerWaalsContact CG1-CD1 3.42Å; L271-L317 WeakPolarHBondContact O-CA 3.46Å; V272-L317 HydrophobicContact CG2-CD1 4.06Å; L317-F319 HydrophobicContact CG-CD1 4.41Å |
| 318 | A | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L171 V188 L271 | L171-A318 HydrophobicContact CB-CB 4.46Å; L171-A318 HydrophobicContact CD2-CB 3.9Å; L171-A318 HydrophobicContact CG-CB 4.21Å; V188-A318 HydrophobicContact CG1-CB 4.37Å; L271-A318 WeakPolarHBondContact CA-O 3.45Å; L271-A318 HydrophobicContact CB-CB 4.36Å; L271-A318 WeakPolarHBondContact CB-O 3.46Å; L271-A318 PolarHBondContact N-O 2.88Å; L271-A318 PolarHBondContact O-N 3.19Å |
| 319 | F | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 153.6 | 179 | 63.4 | -86.7 | 0 | 0 | 0 | 112 | I148 F152 I154 Y189 F190 G191 F269 V270 L317 | I148-F319 HydrophobicContact CG2-CZ 3.83Å; F152-F319 HydrophobicContact CB-CE2 4.18Å; F152-F319 HydrophobicContact CB-CZ 4.36Å; F152-F319 AromaticContact CD1-CE2 3.9Å; F152-F319 HydrophobicContact CD1-CE2 3.9Å; F152-F319 AromaticContact CD2-CE2 3.65Å; F152-F319 HydrophobicContact CD2-CE2 3.65Å; F152-F319 AromaticContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CE1-CE2 4.14Å; F152-F319 AromaticContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CZ 4.16Å; F152-F319 AromaticContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CZ 4.05Å; F152-F319 HydrophobicContact CZ-CE2 4.14Å; I154-F319 HydrophobicContact CD1-CB 4.17Å; I154-F319 HydrophobicContact CD1-CD1 3.26Å; I154-F319 HydrophobicContact CD1-CD2 3.7Å; I154-F319 HydrophobicContact CD1-CE1 3.37Å; I154-F319 HydrophobicContact CD1-CE2 3.8Å; I154-F319 HydrophobicContact CD1-CG 3.43Å; I154-F319 VanDerWaalsContact CD1-CG 3.43Å; I154-F319 HydrophobicContact CD1-CZ 3.63Å; Y189-F319 CarbonylContact C-O 3.54Å; Y189-F319 PolarHBondContact O-N 3.25Å; F190-F319 VanDerWaalsContact C-CE2 3.43Å; F190-F319 HydrophobicContact CB-CE1 3.94Å; F190-F319 HydrophobicContact CB-CZ 3.95Å; F190-F319 HydrophobicContact CD1-CD1 4.46Å; F190-F319 HydrophobicContact CD1-CE1 4.21Å; G191-F319 PolarHBondContact N-O 3.44Å; F269-F319 CarbonylContact O-C 3.53Å; F269-F319 WeakPolarHBondContact O-CA 3.08Å; F269-F319 WeakPolarHBondContact O-CB 3.4Å; V270-F319 HydrophobicContact CB-CB 4.3Å; V270-F319 HydrophobicContact CG1-CB 4.32Å; V270-F319 HydrophobicContact CG2-CB 4.04Å; L317-F319 HydrophobicContact CG-CD1 4.41Å |
| 320 | F | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 168.4 | 178.2 | 57.7 | -81.2 | 0 | 0 | 0 | 110.3 | F175 V188 N192 I194 M219 P258 F269 C322 | F175-F320 HydrophobicContact CE2-CD1 4.33Å; F175-F320 AromaticContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE2 4.26Å; F175-F320 AromaticContact CE2-CZ 3.78Å; F175-F320 HydrophobicContact CE2-CZ 3.78Å; F175-F320 AromaticContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE2 4.37Å; F175-F320 AromaticContact CZ-CZ 3.6Å; F175-F320 HydrophobicContact CZ-CZ 3.6Å; V188-F320 HydrophobicContact CG1-CB 4.14Å; V188-F320 HydrophobicContact CG1-CD1 3.72Å; V188-F320 HydrophobicContact CG1-CG 4.35Å; V188-F320 HydrophobicContact CG2-CD1 4.2Å; N192-F320 WeakPolarHBondContact O-CA 3.43Å; N192-F320 WeakPolarHBondContact O-CB 3.29Å; I194-F320 HydrophobicContact CB-CD2 3.8Å; I194-F320 HydrophobicContact CB-CE2 4.32Å; I194-F320 HydrophobicContact CB-CG 4.47Å; I194-F320 HydrophobicContact CD1-CB 3.77Å; I194-F320 HydrophobicContact CD1-CD1 4.38Å; I194-F320 HydrophobicContact CD1-CD2 3.96Å; I194-F320 HydrophobicContact CD1-CG 3.8Å; I194-F320 HydrophobicContact CG1-CB 4.09Å; I194-F320 HydrophobicContact CG1-CD2 4.14Å; I194-F320 HydrophobicContact CG1-CG 4.31Å; M219-F320 HydrophobicContact CE-CE1 3.92Å; M219-F320 HydrophobicContact CE-CZ 3.57Å; P258-F320 HydrophobicContact CG-CE2 4.03Å; P258-F320 HydrophobicContact CG-CZ 4.11Å; F269-F320 HydrophobicContact CB-CD1 4.09Å; F269-F320 HydrophobicContact CB-CD2 4.17Å; F269-F320 HydrophobicContact CB-CE1 3.69Å; F269-F320 HydrophobicContact CB-CE2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.32Å; F269-F320 HydrophobicContact CB-CZ 3.54Å; F269-F320 HydrophobicContact CD2-CD2 4.44Å; F269-F320 HydrophobicContact CD2-CE2 4.07Å; F269-F320 HydrophobicContact CG-CE2 4.01Å; F269-F320 HydrophobicContact CG-CZ 4.01Å; F269-F320 PolarHBondContact N-O 3.2Å; F269-F320 PolarHBondContact O-N 2.9Å; F320-C322 VanDerWaalsContact CD2-SG 3.54Å; F320-C322 WeakPolarHBondContact CE2-SG 3.16Å |
| 321 | Q | 95.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.2 | 173.2 | -64 | -173.3 | -49.1 | 0 | 0 | 110 | F152 N192 L193 I194 H267 | F152-Q321 HydrophobicContact CE1-CG 4.31Å; N192-Q321 PolarHBondContact O-N 2.82Å; L193-Q321 WeakPolarHBondContact CA-O 3.46Å; L193-Q321 HydrophobicContact CD1-CB 4.36Å; I194-Q321 PolarHBondContact N-O 3.33Å; H267-Q321 CarbonylContact O-C 3.58Å; H267-Q321 VanDerWaalsContact O-CA 3.25Å; H267-Q321 WeakPolarHBondContact O-CA 3.38Å |
| 322 | C | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.4 | 168.3 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | I194 P196 P258 P260 L266 H267 F269 F320 | I194-C322 WeakPolarHBondContact O-CA 3.34Å; I194-C322 PolarHBondContact O-SG 3.2Å; P196-C322 HydrophobicContact CG-CB 4.39Å; P258-C322 HydrophobicContact CB-CB 4.44Å; P260-C322 HydrophobicContact CG-CB 4.08Å; L266-C322 WeakPolarHBondContact CA-O 3.14Å; H267-C322 PolarHBondContact N-O 3.2Å; H267-C322 PolarHBondContact O-N 3.43Å; F269-C322 HydrophobicContact CD2-CB 4.06Å; F269-C322 HydrophobicContact CE2-CB 3.66Å; F320-C322 VanDerWaalsContact CD2-SG 3.54Å; F320-C322 WeakPolarHBondContact CE2-SG 3.16Å |
| 323 | E | 94 | Very high | 92.7 | Very high | 115 Ų | 115 | 37.7 Ų | 37.7 | 54% | 0.537 | 18% | 0.176 | S | C | . | . | trans | -106.4 | 158 | 165.8 | -166 | 175.4 | 177.6 | 0 | 0 | 109.9 | P196 P260 L266 | P196-E323 WeakPolarHBondContact CD-O 3.34Å; P196-E323 WeakPolarHBondContact CG-O 3.36Å; P260-E323 VanDerWaalsContact CG-C 3.42Å; P260-E323 VanDerWaalsContact CG-O 3.29Å; P260-E323 WeakPolarHBondContact CG-O 3.23Å; L266-E323 HydrophobicContact CD2-CB 3.81Å; L266-E323 HydrophobicContact CD2-CG 4.34Å | ||
| 324 | W | 94.2 | Very high | 92.5 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 27% | 0.269 | 20% | 0.202 | S | C | . | . | trans | -56.2 | 136 | 170.6 | 177.4 | 88.6 | 0 | 0 | 0 | 112.6 | R262 E340 | R262-W324 HydrophobicContact CB-CD2 4.28Å; R262-W324 HydrophobicContact CB-CG 4.09Å; R262-W324 HydrophobicContact CG-CD2 3.92Å; R262-W324 HydrophobicContact CG-CE3 4.4Å; R262-W324 HydrophobicContact CG-CG 4.16Å; R262-W324 HydrophobicContact CG-CZ2 4.27Å; W324-E340 PolarHBondContact NE1-OE1 3.31Å | ||
| 325 | D | 92.7 | Very high | 92 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | trans | -138.6 | 166.7 | 172.3 | -169.8 | 13.6 | 0 | 0 | 0 | 110.2 | P196 T197 S327 C328 | P196-D325 HydrophobicContact CG-CB 4.31Å; T197-D325 WeakPolarHBondContact CB-OD2 3.34Å; T197-D325 PolarHBondContact OG1-OD2 2.9Å; D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.11Å; D325-C328 VanDerWaalsContact O-CB 3.28Å; D325-C328 WeakPolarHBondContact O-CB 3.4Å; D325-C328 PolarHBondContact O-N 3.5Å | ||
| 326 | K | 91.5 | Very high | 91.6 | Very high | 162 Ų | 162 | 49.1 Ų | 49.1 | 70% | 0.704 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -56.6 | -28.8 | -178.6 | -62.4 | 176.2 | -176.1 | 172 | 0 | 113.1 | C328 S329 V330 | K326-C328 PolarHBondContact O-N 3.28Å; K326-S329 WeakPolarHBondContact O-CB 3.39Å; K326-S329 PolarHBondContact O-N 3.24Å; K326-V330 PolarHBondContact O-N 3.34Å |
| 327 | S | 91.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -28.5 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | T197 D325 V330 C331 | T197-S327 PolarHBondContact N-OG 3.12Å; T197-S327 VanDerWaalsContact OG1-CB 3.3Å; T197-S327 WeakPolarHBondContact OG1-CB 3.43Å; T197-S327 PolarHBondContact OG1-OG 3.48Å; D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.11Å; S327-V330 PolarHBondContact O-N 3.37Å; S327-C331 PolarHBondContact O-N 3.31Å |
| 328 | C | 91 | Very high | 91 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | P196 L259 D325 K326 V330 C331 F332 | P196-C328 VanDerWaalsContact CG-SG 3.58Å; L259-C328 HydrophobicContact CD2-CB 4.24Å; D325-C328 VanDerWaalsContact O-CB 3.28Å; D325-C328 WeakPolarHBondContact O-CB 3.4Å; D325-C328 PolarHBondContact O-N 3.5Å; K326-C328 PolarHBondContact O-N 3.28Å; C328-V330 VanDerWaalsContact C-N 3.25Å; C328-V330 PolarHBondContact O-N 3.38Å; C328-C331 WeakPolarHBondContact O-CB 3.11Å; C328-C331 PolarHBondContact O-N 2.95Å; C328-C331 VanDerWaalsContact O-N 3.11Å; C328-F332 HydrophobicContact CB-CE2 4.47Å; C328-F332 WeakPolarHBondContact O-CD2 3.17Å; C328-F332 PolarHBondContact O-N 3.44Å |
| 329 | S | 91 | Very high | 90.7 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -37.1 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | K326 R333 E340 | K326-S329 WeakPolarHBondContact O-CB 3.39Å; K326-S329 PolarHBondContact O-N 3.24Å; S329-R333 VanDerWaalsContact O-CG 3.26Å; S329-R333 WeakPolarHBondContact O-CG 3.31Å; S329-R333 PolarHBondContact O-N 3.48Å; S329-E340 WeakPolarHBondContact CA-OE2 3.38Å; S329-E340 WeakPolarHBondContact CB-OE2 3.5Å; S329-E340 PolarHBondContact OG-OE2 3.42Å |
| 330 | V | 91.4 | Very high | 90.4 | Very high | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.418 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 175 | 179 | 0 | 0 | 0 | 0 | 110.3 | K326 S327 C328 F332 R333 E334 | K326-V330 PolarHBondContact O-N 3.34Å; S327-V330 PolarHBondContact O-N 3.37Å; C328-V330 VanDerWaalsContact C-N 3.25Å; C328-V330 PolarHBondContact O-N 3.38Å; V330-F332 PolarHBondContact O-N 2.88Å; V330-R333 PolarHBondContact O-N 3.02Å; V330-R333 VanDerWaalsContact O-N 3.15Å; V330-E334 VanDerWaalsContact CG1-CD 3.45Å; V330-E334 HydrophobicContact CG1-CG 4.13Å; V330-E334 WeakPolarHBondContact CG1-OE2 3Å; V330-E334 WeakPolarHBondContact O-CB 2.77Å; V330-E334 PolarHBondContact O-N 3.46Å |
| 331 | C | 88.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.6 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | Q257 L259 S327 C328 R333 K335 L336 | Q257-C331 VanDerWaalsContact CD-SG 3.59Å; Q257-C331 HydrophobicContact CG-CB 4.38Å; L259-C331 HydrophobicContact CD2-CB 3.6Å; S327-C331 PolarHBondContact O-N 3.31Å; C328-C331 WeakPolarHBondContact O-CB 3.11Å; C328-C331 PolarHBondContact O-N 2.95Å; C328-C331 VanDerWaalsContact O-N 3.11Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 3.34Å; C331-K335 WeakPolarHBondContact O-CB 3.23Å; C331-K335 PolarHBondContact O-N 3.2Å; C331-L336 PolarHBondContact O-N 2.97Å |
| 332 | F | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 175.3 | -83.9 | -67.6 | 0 | 0 | 0 | 112.4 | L259 L261 L294 C328 V330 L336 D337 M338 E340 | L259-F332 HydrophobicContact CB-CZ 4.39Å; L261-F332 HydrophobicContact CD2-CE1 4.41Å; L261-F332 HydrophobicContact CD2-CE2 4.2Å; L261-F332 HydrophobicContact CD2-CZ 3.52Å; L294-F332 HydrophobicContact CD1-CE1 3.92Å; C328-F332 HydrophobicContact CB-CE2 4.47Å; C328-F332 WeakPolarHBondContact O-CD2 3.17Å; C328-F332 PolarHBondContact O-N 3.44Å; V330-F332 PolarHBondContact O-N 2.88Å; F332-L336 HydrophobicContact CD1-CD1 3.58Å; F332-L336 HydrophobicContact CE1-CD1 3.68Å; F332-L336 HydrophobicContact CG-CD1 4.41Å; F332-D337 PolarHBondContact O-N 3.32Å; F332-M338 HydrophobicContact CD1-CG 3.67Å; F332-M338 HydrophobicContact CD1-SD 3.8Å; F332-M338 HydrophobicContact CE1-CE 4.48Å; F332-M338 HydrophobicContact CE1-CG 4.39Å; F332-M338 HydrophobicContact CE1-SD 3.93Å; F332-M338 PolarHBondContact O-N 2.84Å; F332-M338 VanDerWaalsContact O-N 3.07Å; F332-E340 HydrophobicContact CB-CB 4.24Å; F332-E340 HydrophobicContact CD2-CB 4.12Å; F332-E340 HydrophobicContact CD2-CG 3.8Å; F332-E340 HydrophobicContact CE2-CG 4.19Å; F332-E340 HydrophobicContact CG-CB 4.18Å; F332-E340 HydrophobicContact CG-CG 4.34Å |
| 333 | R | 89.5 | Confident | 89.7 | Confident | 196 Ų | 196 | 79.9 Ų | 79.9 | 74% | 0.74 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -78.3 | -41.6 | -178.6 | -68.2 | 177 | 68.5 | -176.4 | 0 | 113.1 | S329 V330 C331 | S329-R333 VanDerWaalsContact O-CG 3.26Å; S329-R333 WeakPolarHBondContact O-CG 3.31Å; S329-R333 PolarHBondContact O-N 3.48Å; V330-R333 PolarHBondContact O-N 3.02Å; V330-R333 VanDerWaalsContact O-N 3.15Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 3.34Å |
| 334 | E | 88.9 | Confident | 89.5 | Confident | 152 Ų | 152 | 78 Ų | 78 | 71% | 0.71 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -91.6 | -46.5 | -172 | -67.1 | -177.8 | 175.5 | 0 | 0 | 113 | V330 | V330-E334 VanDerWaalsContact CG1-CD 3.45Å; V330-E334 HydrophobicContact CG1-CG 4.13Å; V330-E334 WeakPolarHBondContact CG1-OE2 3Å; V330-E334 WeakPolarHBondContact O-CB 2.77Å; V330-E334 PolarHBondContact O-N 3.46Å |
| 335 | K | 85.4 | Confident | 89.3 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -39.9 | -174.4 | -63 | -171.6 | -174.3 | 162.3 | 0 | 112.6 | I292 C331 | I292-K335 VanDerWaalsContact CG2-O 3.27Å; I292-K335 WeakPolarHBondContact CG2-O 2.9Å; C331-K335 WeakPolarHBondContact O-CB 3.23Å; C331-K335 PolarHBondContact O-N 3.2Å |
| 336 | L | 84.1 | Confident | 89.2 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -98.1 | -10.7 | -173 | -60.7 | 176.9 | 0 | 0 | 0 | 114 | L259 I292 L294 C331 F332 M338 | L259-L336 HydrophobicContact CD1-CD1 3.61Å; I292-L336 WeakPolarHBondContact O-CD2 3.15Å; L294-L336 HydrophobicContact CD1-CD1 3.8Å; L294-L336 HydrophobicContact CD2-CD1 3.89Å; L294-L336 HydrophobicContact CD2-CD2 4.12Å; L294-L336 HydrophobicContact CG-CD1 3.77Å; L294-L336 HydrophobicContact CG-CD2 4.1Å; C331-L336 PolarHBondContact O-N 2.97Å; F332-L336 HydrophobicContact CD1-CD1 3.58Å; F332-L336 HydrophobicContact CE1-CD1 3.68Å; F332-L336 HydrophobicContact CG-CD1 4.41Å; L336-M338 HydrophobicContact CB-CG 3.78Å; L336-M338 HydrophobicContact CB-SD 4.01Å; L336-M338 HydrophobicContact CD1-SD 4.08Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.16Å |
| 337 | D | 86.7 | Confident | 89.2 | Confident | 151 Ų | 151 | 88.2 Ų | 88.2 | 81% | 0.807 | 42% | 0.42 | S | S | * | . | trans | 44.1 | 45 | -175.5 | -166.1 | 28.8 | 0 | 0 | 0 | 113.3 | F332 | F332-D337 PolarHBondContact O-N 3.32Š| ||
| 338 | M | 86.6 | Confident | 89.2 | Confident | 52 Ų | 52 | 91.6 Ų | 91.6 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -134 | 152.5 | -178.1 | 71 | -178.8 | -66.8 | 0 | 0 | 111.7 | L294 F332 L336 E340 | L294-M338 HydrophobicContact CD1-CE 4.31Å; L294-M338 HydrophobicContact CD1-SD 3.68Å; L294-M338 HydrophobicContact CG-SD 4.3Å; F332-M338 HydrophobicContact CD1-CG 3.67Å; F332-M338 HydrophobicContact CD1-SD 3.8Å; F332-M338 HydrophobicContact CE1-CE 4.48Å; F332-M338 HydrophobicContact CE1-CG 4.39Å; F332-M338 HydrophobicContact CE1-SD 3.93Å; F332-M338 PolarHBondContact O-N 2.84Å; F332-M338 VanDerWaalsContact O-N 3.07Å; L336-M338 HydrophobicContact CB-CG 3.78Å; L336-M338 HydrophobicContact CB-SD 4.01Å; L336-M338 HydrophobicContact CD1-SD 4.08Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.16Å; M338-E340 PolarHBondContact O-N 3.36Å |
| 339 | K | 88.7 | Confident | 89.1 | Confident | 194 Ų | 194 | 97.1 Ų | 97.1 | 84% | 0.843 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 126.5 | 172.7 | -173.2 | 178.2 | 178.9 | -178 | 0 | 109.2 | ||
| 340 | E | 88.5 | Confident | 89 | Confident | 44 Ų | 44 | 101.2 Ų | 101.2 | 21% | 0.206 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 124.4 | 176.4 | -177.9 | -178 | 175.8 | 0 | 0 | 110.9 | W324 S329 F332 M338 | W324-E340 PolarHBondContact NE1-OE1 3.31Å; S329-E340 WeakPolarHBondContact CA-OE2 3.38Å; S329-E340 WeakPolarHBondContact CB-OE2 3.5Å; S329-E340 PolarHBondContact OG-OE2 3.42Å; F332-E340 HydrophobicContact CB-CB 4.24Å; F332-E340 HydrophobicContact CD2-CB 4.12Å; F332-E340 HydrophobicContact CD2-CG 3.8Å; F332-E340 HydrophobicContact CE2-CG 4.19Å; F332-E340 HydrophobicContact CG-CB 4.18Å; F332-E340 HydrophobicContact CG-CG 4.34Å; M338-E340 PolarHBondContact O-N 3.36Å |
| 341 | P | 89.1 | Confident | 89 | Confident | 33 Ų | 33 | 107 Ų | 107 | 21% | 0.214 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 140.9 | 173.3 | 33.1 | -35.7 | 0 | 0 | 0 | 110.3 | L261 F343 | L261-P341 HydrophobicContact CD2-CG 3.88Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.27Å; P341-F343 HydrophobicContact CG-CE2 4.04Å |
| 342 | F | 89.7 | Confident | 89.1 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | B | Isolated β-bridge | trans | -116.6 | 127.4 | 177.6 | 171.8 | -102.6 | 0 | 0 | 0 | 109.8 | R262 A344 | R262-F342 HydrophobicContact CB-CD2 4.13Å; R262-F342 HydrophobicContact CG-CD2 3.81Å; R262-F342 HydrophobicContact CG-CE2 4.15Å; F342-A344 HydrophobicContact CE1-CB 4.1Å; F342-A344 HydrophobicContact CZ-CB 4.34Å |
| 343 | F | 91.4 | Very high | 89.1 | Confident | 87 Ų | 87 | 112.6 Ų | 112.6 | 38% | 0.382 | 55% | 0.554 | S | S | . | * | trans | -111.4 | 145.5 | 176.9 | -62.6 | -91.4 | 0 | 0 | 0 | 109.9 | I226 L261 R262 G263 T264 P341 | I226-F343 HydrophobicContact CG2-CZ 4.47Å; L261-F343 HydrophobicContact CB-CD2 4.08Å; L261-F343 HydrophobicContact CB-CE2 4.09Å; L261-F343 HydrophobicContact CD1-CD2 4.4Å; L261-F343 HydrophobicContact CD1-CE2 3.68Å; L261-F343 HydrophobicContact CD1-CZ 4.32Å; L261-F343 HydrophobicContact CG-CE2 4.44Å; R262-F343 PolarHBondContact O-N 3.22Å; G263-F343 WeakPolarHBondContact CA-O 3.28Å; T264-F343 HydrophobicContact CG2-CB 4.17Å; T264-F343 HydrophobicContact CG2-CD2 3.77Å; T264-F343 HydrophobicContact CG2-CE2 4.36Å; T264-F343 HydrophobicContact CG2-CG 3.96Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.27Å; P341-F343 HydrophobicContact CG-CE2 4.04Å | ||
| 344 | A | 90 | Very high | 89.2 | Confident | 76 Ų | 76 | 108.2 Ų | 108.2 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | trans | -131.4 | 134.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | F342 N346 | F342-A344 HydrophobicContact CE1-CB 4.1Å; F342-A344 HydrophobicContact CZ-CB 4.34Å; A344-N346 PolarHBondContact O-N 2.84Å; A344-N346 VanDerWaalsContact O-N 3.13Å | ||
| 345 | Y | 90.3 | Very high | 89.4 | Confident | 158 Ų | 158 | 106.3 Ų | 106.3 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | trans | -67.5 | 113.9 | 176.5 | -173.5 | -89.1 | 0 | 0 | 0 | 109.9 | W347 | Y345-W347 AromaticContact CD1-CD1 3.84Å; Y345-W347 AromaticContact CD1-CD2 3.73Å; Y345-W347 HydrophobicContact CD1-CD2 3.73Å; Y345-W347 AromaticContact CD1-CE2 3.52Å; Y345-W347 HydrophobicContact CD1-CE3 4.31Å; Y345-W347 AromaticContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CH2 4.46Å; Y345-W347 AromaticContact CD1-CZ2 3.93Å; Y345-W347 HydrophobicContact CD1-CZ2 3.93Å; Y345-W347 AromaticContact CD1-NE1 3.62Å; Y345-W347 HydrophobicContact CE1-CB 4.44Å; Y345-W347 AromaticContact CE1-CD2 3.36Å; Y345-W347 HydrophobicContact CE1-CD2 3.36Å; Y345-W347 AromaticContact CE1-CE2 3.54Å; Y345-W347 AromaticContact CE1-CE3 3.5Å; Y345-W347 HydrophobicContact CE1-CE3 3.5Å; Y345-W347 VanDerWaalsContact CE1-CE3 3.5Å; Y345-W347 AromaticContact CE1-CG 3.82Å; Y345-W347 HydrophobicContact CE1-CG 3.82Å; Y345-W347 AromaticContact CE1-CH2 3.92Å; Y345-W347 HydrophobicContact CE1-CH2 3.92Å; Y345-W347 AromaticContact CE1-CZ2 3.83Å; Y345-W347 HydrophobicContact CE1-CZ2 3.83Å; Y345-W347 AromaticContact CE1-CZ3 3.76Å; Y345-W347 HydrophobicContact CE1-CZ3 3.76Å | ||
| 346 | N | 91.2 | Very high | 89.7 | Confident | 147 Ų | 147 | 105.9 Ų | 105.9 | 79% | 0.786 | 54% | 0.541 | S | S | * | . | trans | -89.4 | 107 | 175.7 | -169.2 | 15.6 | 0 | 0 | 0 | 109.6 | A344 | A344-N346 PolarHBondContact O-N 2.84Å; A344-N346 VanDerWaalsContact O-N 3.13Å | ||
| 347 | W | 90.2 | Very high | 90 | Very high | 189 Ų | 189 | 113.2 Ų | 113.2 | 72% | 0.716 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.9 | 175.2 | -68.4 | 92.4 | 0 | 0 | 0 | 110.2 | Y345 | Y345-W347 AromaticContact CD1-CD1 3.84Å; Y345-W347 AromaticContact CD1-CD2 3.73Å; Y345-W347 HydrophobicContact CD1-CD2 3.73Å; Y345-W347 AromaticContact CD1-CE2 3.52Å; Y345-W347 HydrophobicContact CD1-CE3 4.31Å; Y345-W347 AromaticContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CH2 4.46Å; Y345-W347 AromaticContact CD1-CZ2 3.93Å; Y345-W347 HydrophobicContact CD1-CZ2 3.93Å; Y345-W347 AromaticContact CD1-NE1 3.62Å; Y345-W347 HydrophobicContact CE1-CB 4.44Å; Y345-W347 AromaticContact CE1-CD2 3.36Å; Y345-W347 HydrophobicContact CE1-CD2 3.36Å; Y345-W347 AromaticContact CE1-CE2 3.54Å; Y345-W347 AromaticContact CE1-CE3 3.5Å; Y345-W347 HydrophobicContact CE1-CE3 3.5Å; Y345-W347 VanDerWaalsContact CE1-CE3 3.5Å; Y345-W347 AromaticContact CE1-CG 3.82Å; Y345-W347 HydrophobicContact CE1-CG 3.82Å; Y345-W347 AromaticContact CE1-CH2 3.92Å; Y345-W347 HydrophobicContact CE1-CH2 3.92Å; Y345-W347 AromaticContact CE1-CZ2 3.83Å; Y345-W347 HydrophobicContact CE1-CZ2 3.83Å; Y345-W347 AromaticContact CE1-CZ3 3.76Å; Y345-W347 HydrophobicContact CE1-CZ3 3.76Å |
| 348 | P | 92.6 | Very high | 90.1 | Very high | 95 Ų | 95 | 112.7 Ų | 112.7 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.7 | 170.5 | 25.2 | -33 | 0 | 0 | 0 | 109 | ||
| 349 | P | 88.9 | Confident | 90.2 | Very high | 116 Ų | 116 | 112 Ų | 112 | 75% | 0.753 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.8 | -178.8 | 25 | -33.8 | 0 | 0 | 0 | 110 | Y351 | P349-Y351 PolarHBondContact O-N 3.37Š|
| 350 | P | 88.5 | Confident | 90.1 | Very high | 113 Ų | 113 | 109.8 Ų | 109.8 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.2 | 178.6 | 25.9 | -33.8 | 0 | 0 | 0 | 109.8 | V352 | P350-V352 PolarHBondContact O-N 3.37Š|
| 351 | Y | 91.8 | Very high | 90.1 | Very high | 191 Ų | 191 | 114.3 Ų | 114.3 | 75% | 0.749 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 124.8 | 175 | 173.9 | -103.4 | 0 | 0 | 0 | 110.2 | P349 P353 | P349-Y351 PolarHBondContact O-N 3.37Å; Y351-P353 HydrophobicContact CE1-CB 4.05Å |
| 352 | V | 89.5 | Confident | 90.1 | Very high | 59 Ų | 59 | 119 Ų | 119 | 36% | 0.358 | 62% | 0.623 | S | S | . | * | trans | -111.8 | 118.6 | 173.2 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | P350 K371 Y372 | P350-V352 PolarHBondContact O-N 3.37Å; V352-K371 HydrophobicContact CG1-CB 4.19Å; V352-Y372 HydrophobicContact CG1-CD1 4.01Å; V352-Y372 HydrophobicContact CG1-CE1 3.34Å | ||
| 353 | P | 90 | Very high | 90.1 | Very high | 62 Ų | 62 | 116.7 Ų | 116.7 | 40% | 0.403 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 154.1 | 177.2 | 27.4 | -33.6 | 0 | 0 | 0 | 110.2 | Y351 Q355 Y372 | Y351-P353 HydrophobicContact CE1-CB 4.05Å; P353-Q355 PolarHBondContact O-N 3.41Å; P353-Y372 WeakPolarHBondContact O-CE1 3.22Å; P353-Y372 VanDerWaalsContact O-CZ 3.29Å; P353-Y372 PolarHBondContact O-OH 2.92Å |
| 354 | P | 92 | Very high | 90.1 | Very high | 104 Ų | 104 | 115.7 Ų | 115.7 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.7 | 177.7 | 24.7 | -34.1 | 0 | 0 | 0 | 110.8 | Q356 | P354-Q356 PolarHBondContact O-N 2.85Š|
| 355 | Q | 92.9 | Very high | 90 | Very high | 111 Ų | 111 | 117.3 Ų | 117.3 | 52% | 0.519 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 125.4 | -176.1 | -165.9 | 174.6 | 13.3 | 0 | 0 | 110.8 | P353 Y368 Y372 | P353-Q355 PolarHBondContact O-N 3.41Å; Q355-Y368 HydrophobicContact CG-CE1 4.31Å; Q355-Y372 HydrophobicContact CB-CD1 3.65Å; Q355-Y372 HydrophobicContact CB-CD2 4.12Å; Q355-Y372 HydrophobicContact CB-CE1 3.61Å; Q355-Y372 HydrophobicContact CB-CE2 4.13Å; Q355-Y372 HydrophobicContact CB-CG 3.89Å; Q355-Y372 HydrophobicContact CG-CD1 4.08Å; Q355-Y372 HydrophobicContact CG-CD2 3.63Å; Q355-Y372 HydrophobicContact CG-CE1 4.21Å; Q355-Y372 HydrophobicContact CG-CE2 3.83Å; Q355-Y372 HydrophobicContact CG-CG 3.77Å |
| 356 | Q | 91.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 110.5 Ų | 110.5 | 41% | 0.407 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -94.2 | 144.6 | 171.2 | -62.4 | -178.2 | -9.2 | 0 | 0 | 110.3 | P354 I358 Y368 | P354-Q356 PolarHBondContact O-N 2.85Å; Q356-I358 VanDerWaalsContact C-N 3.32Å; Q356-Y368 PolarHBondContact N-OH 2.87Å; Q356-Y368 PolarHBondContact O-OH 3.28Å |
| 357 | I | 90.6 | Very high | 89.7 | Confident | 175 Ų | 175 | 107.5 Ų | 107.5 | 90% | 0.897 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -63.7 | -42.2 | 175.4 | -58.6 | 174.1 | 0 | 0 | 0 | 110.2 | ||
| 358 | I | 88.7 | Confident | 89.7 | Confident | 139 Ų | 139 | 99.7 Ų | 99.7 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -131 | 108 | 173.6 | -57.6 | 175.6 | 0 | 0 | 0 | 106.2 | Q356 D360 | Q356-I358 VanDerWaalsContact C-N 3.32Å; I358-D360 PolarHBondContact O-N 3.29Å |
| 359 | P | 88.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 99.4 Ų | 99.4 | 25% | 0.247 | 53% | 0.531 | C | S | . | . | trans | -56 | 135.3 | 175.6 | -28.2 | 37.2 | 0 | 0 | 0 | 112 | E361 Q363 Y368 | P359-E361 WeakPolarHBondContact CB-O 3.22Å; P359-E361 PolarHBondContact O-N 2.97Å; P359-Q363 HydrophobicContact CB-CG 4.31Å; P359-Y368 HydrophobicContact CG-CD1 4.26Å; P359-Y368 HydrophobicContact CG-CD2 4.18Å; P359-Y368 HydrophobicContact CG-CE1 3.79Å; P359-Y368 HydrophobicContact CG-CE2 3.71Å; P359-Y368 HydrophobicContact CG-CG 4.44Å; P359-Y368 VanDerWaalsContact CG-CZ 3.5Å | ||
| 360 | D | 87.3 | Confident | 89.5 | Confident | 148 Ų | 148 | 95.5 Ų | 95.5 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -61 | -36.2 | 176.3 | -73.3 | -41.3 | 0 | 0 | 0 | 112.1 | I358 | I358-D360 PolarHBondContact O-N 3.29Š|
| 361 | E | 88.5 | Confident | 89.5 | Confident | 139 Ų | 139 | 95.4 Ų | 95.4 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -101.9 | 141.2 | 174.5 | -65.5 | -175.9 | 172 | 0 | 0 | 111 | P359 Q363 | P359-E361 WeakPolarHBondContact CB-O 3.22Å; P359-E361 PolarHBondContact O-N 2.97Å; E361-Q363 PolarHBondContact O-N 2.96Å |
| 362 | P | 89.1 | Confident | 89.5 | Confident | 132 Ų | 132 | 88.9 Ų | 88.9 | 86% | 0.857 | 47% | 0.466 | S | S | * | . | trans | -65.3 | 107 | 179.1 | 26.9 | -33.5 | 0 | 0 | 0 | 111 | ||||
| 363 | Q | 89.1 | Confident | 89.5 | Confident | 85 Ų | 85 | 90.2 Ų | 90.2 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | trans | -101.4 | 145.8 | 176 | -64.7 | -67.4 | -39.4 | 0 | 0 | 110.9 | P359 E361 F365 Y368 | P359-Q363 HydrophobicContact CB-CG 4.31Å; E361-Q363 PolarHBondContact O-N 2.96Å; Q363-F365 PolarHBondContact O-N 3.14Å; Q363-Y368 HydrophobicContact CB-CD2 4.16Å; Q363-Y368 HydrophobicContact CB-CG 4.33Å; Q363-Y368 HydrophobicContact CG-CD2 4.29Å | ||
| 364 | P | 90.4 | Very high | 89.5 | Confident | 65 Ų | 65 | 90.5 Ų | 90.5 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | trans | -63.7 | 122 | 172.8 | 24.5 | -30.9 | 0 | 0 | 0 | 110.2 | N366 L367 Y368 | P364-N366 VanDerWaalsContact C-N 3.3Å; P364-N366 PolarHBondContact O-N 3.46Å; P364-L367 HydrophobicContact CG-CB 4.09Å; P364-L367 HydrophobicContact CG-CD1 3.83Å; P364-L367 HydrophobicContact CG-CG 4.18Å; P364-L367 PolarHBondContact O-N 3.27Å; P364-Y368 WeakPolarHBondContact O-CB 3.31Å; P364-Y368 PolarHBondContact O-N 3.06Å | ||
| 365 | F | 89.3 | Confident | 89.4 | Confident | 110 Ų | 110 | 91.5 Ų | 91.5 | 48% | 0.482 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.6 | -40.8 | -169.1 | 76.1 | -85.9 | 0 | 0 | 0 | 113.2 | Q363 Y368 L369 W417 | Q363-F365 PolarHBondContact O-N 3.14Å; F365-Y368 PolarHBondContact O-N 2.9Å; F365-L369 WeakPolarHBondContact O-CB 3.37Å; F365-L369 VanDerWaalsContact O-CG 3.26Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.03Å; F365-W417 AromaticContact CE1-CD1 3.94Å; F365-W417 HydrophobicContact CE1-CD2 4.16Å; F365-W417 HydrophobicContact CE1-CG 4.02Å; F365-W417 AromaticContact CZ-CD2 3.64Å; F365-W417 HydrophobicContact CZ-CD2 3.64Å; F365-W417 AromaticContact CZ-CE2 3.65Å; F365-W417 HydrophobicContact CZ-CE3 4.01Å; F365-W417 AromaticContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CH2 4.39Å; F365-W417 HydrophobicContact CZ-CZ2 4.05Å; F365-W417 HydrophobicContact CZ-CZ3 4.37Å; F365-W417 AromaticContact CZ-NE1 3.94Å |
| 366 | N | 87.1 | Confident | 89.3 | Confident | 15 Ų | 15 | 92 Ų | 92 | 8% | 0.08 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.3 | -45.2 | -176.4 | 66 | -37 | 0 | 0 | 0 | 111.5 | P364 D370 E421 | P364-N366 VanDerWaalsContact C-N 3.3Å; P364-N366 PolarHBondContact O-N 3.46Å; N366-D370 WeakPolarHBondContact O-CB 3.28Å; N366-D370 PolarHBondContact O-N 3.04Å; N366-E421 PolarHBondContact ND2-OE1 3.1Å; N366-E421 VanDerWaalsContact ND2-OE1 3.17Å |
| 367 | L | 87.2 | Confident | 89.4 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 44% | 0.44 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -35.2 | 176 | -56.9 | -179.2 | 0 | 0 | 0 | 111.9 | P364 K371 | P364-L367 HydrophobicContact CG-CB 4.09Å; P364-L367 HydrophobicContact CG-CD1 3.83Å; P364-L367 HydrophobicContact CG-CG 4.18Å; P364-L367 PolarHBondContact O-N 3.27Å; L367-K371 VanDerWaalsContact O-CG 3.26Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3.34Å |
| 368 | Y | 91.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 85.2 Ų | 85.2 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.8 | -51.1 | 179.1 | 179.7 | -102.4 | 0 | 0 | 0 | 111.3 | Q355 Q356 P359 Q363 P364 F365 D370 K371 Y372 | Q355-Y368 HydrophobicContact CG-CE1 4.31Å; Q356-Y368 PolarHBondContact N-OH 2.87Å; Q356-Y368 PolarHBondContact O-OH 3.28Å; P359-Y368 HydrophobicContact CG-CD1 4.26Å; P359-Y368 HydrophobicContact CG-CD2 4.18Å; P359-Y368 HydrophobicContact CG-CE1 3.79Å; P359-Y368 HydrophobicContact CG-CE2 3.71Å; P359-Y368 HydrophobicContact CG-CG 4.44Å; P359-Y368 VanDerWaalsContact CG-CZ 3.5Å; Q363-Y368 HydrophobicContact CB-CD2 4.16Å; Q363-Y368 HydrophobicContact CB-CG 4.33Å; Q363-Y368 HydrophobicContact CG-CD2 4.29Å; P364-Y368 WeakPolarHBondContact O-CB 3.31Å; P364-Y368 PolarHBondContact O-N 3.06Å; F365-Y368 PolarHBondContact O-N 2.9Å; Y368-D370 PolarHBondContact O-N 3.28Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.31Å; Y368-Y372 AromaticContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CE1-CE2 4.29Å; Y368-Y372 HydrophobicContact CE2-CD2 4.49Å; Y368-Y372 AromaticContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CG-CE2 4.46Å; Y368-Y372 AromaticContact CZ-CE2 3.72Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.38Å; Y368-Y372 WeakPolarHBondContact O-CE2 3.24Å |
| 369 | L | 89.4 | Confident | 89.4 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 47% | 0.466 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | -179.5 | -65.4 | 174.8 | 0 | 0 | 0 | 112 | F365 K371 Y372 R373 | F365-L369 WeakPolarHBondContact O-CB 3.37Å; F365-L369 VanDerWaalsContact O-CG 3.26Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.03Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3Å; L369-Y372 PolarHBondContact O-N 3.16Å; L369-R373 PolarHBondContact O-N 3.11Å |
| 370 | D | 87.1 | Confident | 89.5 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 18% | 0.176 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.9 | -27.6 | 177 | -82.7 | 7.5 | 0 | 0 | 0 | 113.3 | N366 Y368 Y372 R373 K431 | N366-D370 WeakPolarHBondContact O-CB 3.28Å; N366-D370 PolarHBondContact O-N 3.04Å; Y368-D370 PolarHBondContact O-N 3.28Å; D370-Y372 PolarHBondContact O-N 3.3Å; D370-R373 PolarHBondContact O-N 2.93Å; D370-R373 IonicContact OD1-CZ 3.3Å; D370-R373 VanDerWaalsContact OD1-CZ 3.3Å; D370-R373 IonicContact OD1-NE 3.53Å; D370-R373 IonicContact OD1-NH2 2.67Å; D370-R373 PolarHBondContact OD1-NH2 3.41Å; D370-K431 IonicContact OD2-NZ 3.5Å; D370-K431 PolarHBondContact OD2-NZ 3.17Å |
| 371 | K | 88.8 | Confident | 89.8 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -28.3 | 176.1 | -77.4 | 167.2 | -176.7 | -175.3 | 0 | 113.3 | V352 L367 Y368 L369 | V352-K371 HydrophobicContact CG1-CB 4.19Å; L367-K371 VanDerWaalsContact O-CG 3.26Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3.34Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.31Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3Å |
| 372 | Y | 91.2 | Very high | 89.9 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 21% | 0.212 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -110.2 | -0.5 | -174.3 | -57.1 | -76.1 | 0 | 0 | 0 | 113 | V352 P353 Q355 Y368 L369 D370 | V352-Y372 HydrophobicContact CG1-CD1 4.01Å; V352-Y372 HydrophobicContact CG1-CE1 3.34Å; P353-Y372 WeakPolarHBondContact O-CE1 3.22Å; P353-Y372 VanDerWaalsContact O-CZ 3.29Å; P353-Y372 PolarHBondContact O-OH 2.92Å; Q355-Y372 HydrophobicContact CB-CD1 3.65Å; Q355-Y372 HydrophobicContact CB-CD2 4.12Å; Q355-Y372 HydrophobicContact CB-CE1 3.61Å; Q355-Y372 HydrophobicContact CB-CE2 4.13Å; Q355-Y372 HydrophobicContact CB-CG 3.89Å; Q355-Y372 HydrophobicContact CG-CD1 4.08Å; Q355-Y372 HydrophobicContact CG-CD2 3.63Å; Q355-Y372 HydrophobicContact CG-CE1 4.21Å; Q355-Y372 HydrophobicContact CG-CE2 3.83Å; Q355-Y372 HydrophobicContact CG-CG 3.77Å; Y368-Y372 AromaticContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CE1-CE2 4.29Å; Y368-Y372 HydrophobicContact CE2-CD2 4.49Å; Y368-Y372 AromaticContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CG-CE2 4.46Å; Y368-Y372 AromaticContact CZ-CE2 3.72Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.38Å; Y368-Y372 WeakPolarHBondContact O-CE2 3.24Å; L369-Y372 PolarHBondContact O-N 3.16Å; D370-Y372 PolarHBondContact O-N 3.3Å |
| 373 | R | 90.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 33% | 0.328 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -70.3 | 134.9 | 177.5 | -165 | -177 | -57.8 | -171.6 | 5 | 108.7 | L369 D370 D377 I378 E381 | L369-R373 PolarHBondContact O-N 3.11Å; D370-R373 PolarHBondContact O-N 2.93Å; D370-R373 IonicContact OD1-CZ 3.3Å; D370-R373 VanDerWaalsContact OD1-CZ 3.3Å; D370-R373 IonicContact OD1-NE 3.53Å; D370-R373 IonicContact OD1-NH2 2.67Å; D370-R373 PolarHBondContact OD1-NH2 3.41Å; R373-D377 HydrophobicContact CG-CB 4.19Å; R373-I378 HydrophobicContact CB-CD1 4.19Å; R373-I378 HydrophobicContact CB-CG1 4.25Å; R373-I378 HydrophobicContact CG-CG1 4.08Å; R373-E381 IonicContact NH1-OE2 2.71Å; R373-E381 PolarHBondContact NH1-OE2 2.98Å |
| 374 | P | 90.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | trans | -60.7 | 145.9 | 175.1 | 26.5 | -34.8 | 0 | 0 | 0 | 110.4 | D376 D377 I378 | P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 2.95Å; P374-D377 HydrophobicContact CG-CB 3.99Å; P374-D377 WeakPolarHBondContact CG-OD2 3.12Å; P374-D377 PolarHBondContact O-N 3.13Å; P374-I378 PolarHBondContact O-N 3.45Å | ||
| 375 | L | 88.4 | Confident | 90.2 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | -177.6 | -69 | 172.6 | 0 | 0 | 0 | 111.3 | D377 I378 E379 | L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.06Å; L375-I378 WeakPolarHBondContact O-CA 3.31Å; L375-I378 WeakPolarHBondContact O-CB 3.34Å; L375-I378 PolarHBondContact O-N 2.77Å; L375-E379 WeakPolarHBondContact O-CG 3.42Å; L375-E379 PolarHBondContact O-N 3.37Å |
| 376 | D | 91.6 | Very high | 90.1 | Very high | 121 Ų | 121 | 73.8 Ų | 73.8 | 65% | 0.647 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.5 | -40.4 | 179.3 | -55.2 | -1.1 | 0 | 0 | 0 | 112.7 | P374 E379 A380 | P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 2.95Å; D376-E379 PolarHBondContact O-N 2.88Å; D376-A380 VanDerWaalsContact O-CB 3.23Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.74Å |
| 377 | D | 92.5 | Very high | 90.1 | Very high | 97 Ų | 97 | 78.2 Ų | 78.2 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 178.4 | -76.1 | -14.4 | 0 | 0 | 0 | 111.5 | R373 P374 L375 E381 | R373-D377 HydrophobicContact CG-CB 4.19Å; P374-D377 HydrophobicContact CG-CB 3.99Å; P374-D377 WeakPolarHBondContact CG-OD2 3.12Å; P374-D377 PolarHBondContact O-N 3.13Å; L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.06Å; D377-E381 WeakPolarHBondContact O-CB 3.44Å; D377-E381 PolarHBondContact O-N 2.6Å |
| 378 | I | 89.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 78.4 Ų | 78.4 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 176.6 | -62.1 | 167.6 | 0 | 0 | 0 | 109.3 | R373 P374 L375 E381 L382 K431 | R373-I378 HydrophobicContact CB-CD1 4.19Å; R373-I378 HydrophobicContact CB-CG1 4.25Å; R373-I378 HydrophobicContact CG-CG1 4.08Å; P374-I378 PolarHBondContact O-N 3.45Å; L375-I378 WeakPolarHBondContact O-CA 3.31Å; L375-I378 WeakPolarHBondContact O-CB 3.34Å; L375-I378 PolarHBondContact O-N 2.77Å; I378-E381 PolarHBondContact O-N 2.9Å; I378-L382 HydrophobicContact CG2-CD1 3.81Å; I378-L382 HydrophobicContact CG2-CG 4.38Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.04Å; I378-K431 HydrophobicContact CG2-CD 4.13Å |
| 379 | E | 89.8 | Confident | 89.9 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 178.6 | -71.6 | -178.4 | 179.5 | 0 | 0 | 111.5 | L375 D376 E381 L382 L383 | L375-E379 WeakPolarHBondContact O-CG 3.42Å; L375-E379 PolarHBondContact O-N 3.37Å; D376-E379 PolarHBondContact O-N 2.88Å; E379-E381 PolarHBondContact O-N 3.4Å; E379-L382 PolarHBondContact O-N 3.11Å; E379-L383 VanDerWaalsContact O-CB 3.24Å; E379-L383 WeakPolarHBondContact O-CB 3.18Å; E379-L383 PolarHBondContact O-N 3.16Å |
| 380 | A | 92.6 | Very high | 89.7 | Confident | 36 Ų | 36 | 78 Ų | 78 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D376 R384 | D376-A380 VanDerWaalsContact O-CB 3.23Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.74Å; A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.31Å; A380-R384 PolarHBondContact O-N 2.96Å |
| 381 | E | 91.8 | Very high | 89.4 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 174.9 | -167.5 | -168.6 | 147.4 | 0 | 0 | 111.5 | R373 D377 I378 E379 R384 K385 | R373-E381 IonicContact NH1-OE2 2.71Å; R373-E381 PolarHBondContact NH1-OE2 2.98Å; D377-E381 WeakPolarHBondContact O-CB 3.44Å; D377-E381 PolarHBondContact O-N 2.6Å; I378-E381 PolarHBondContact O-N 2.9Å; E379-E381 PolarHBondContact O-N 3.4Å; E381-R384 PolarHBondContact O-N 3.46Å; E381-K385 WeakPolarHBondContact O-CG 3.27Å; E381-K385 PolarHBondContact O-N 2.88Å |
| 382 | L | 91.4 | Very high | 89 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 179.3 | -69.1 | 169.5 | 0 | 0 | 0 | 111.9 | I378 E379 K385 R386 K431 Y432 I435 | I378-L382 HydrophobicContact CG2-CD1 3.81Å; I378-L382 HydrophobicContact CG2-CG 4.38Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.04Å; E379-L382 PolarHBondContact O-N 3.11Å; L382-K385 PolarHBondContact O-N 3.17Å; L382-R386 PolarHBondContact O-N 3.33Å; L382-K431 HydrophobicContact CD1-CB 4.15Å; L382-K431 VanDerWaalsContact CD1-O 3.26Å; L382-K431 WeakPolarHBondContact CD1-O 3.39Å; L382-Y432 HydrophobicContact CD2-CD1 3.8Å; L382-Y432 HydrophobicContact CD2-CE1 4.22Å; L382-I435 HydrophobicContact CD2-CD1 3.98Å; L382-I435 HydrophobicContact CD2-CG1 3.99Å |
| 383 | L | 90.2 | Very high | 88.5 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.8 | -178.6 | 63.4 | 0 | 0 | 0 | 110.9 | E379 K385 R386 L387 | E379-L383 VanDerWaalsContact O-CB 3.24Å; E379-L383 WeakPolarHBondContact O-CB 3.18Å; E379-L383 PolarHBondContact O-N 3.16Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.38Å; L383-R386 PolarHBondContact O-N 2.98Å; L383-L387 HydrophobicContact CD1-CD1 4.25Å; L383-L387 HydrophobicContact CD1-CG 4.21Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 HydrophobicContact CG-CG 4.37Å; L383-L387 WeakPolarHBondContact O-CB 2.98Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.17Å; L383-L387 PolarHBondContact O-N 3.25Å |
| 384 | R | 92.8 | Very high | 87.9 | Confident | 181 Ų | 181 | 93.7 Ų | 93.7 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 174.7 | -75 | 175.4 | -172.3 | 140.8 | 3.2 | 111.8 | A380 E381 L387 A388 | A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.31Å; A380-R384 PolarHBondContact O-N 2.96Å; E381-R384 PolarHBondContact O-N 3.46Å; R384-L387 PolarHBondContact O-N 2.88Å; R384-A388 WeakPolarHBondContact O-CB 3.48Å; R384-A388 PolarHBondContact O-N 3.41Å |
| 385 | K | 91.1 | Very high | 87.4 | Confident | 58 Ų | 58 | 92.1 Ų | 92.1 | 25% | 0.252 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | -75.7 | -176.7 | 169.3 | -164.2 | 0 | 112.2 | E381 L382 L383 A388 R389 E425 I435 | E381-K385 WeakPolarHBondContact O-CG 3.27Å; E381-K385 PolarHBondContact O-N 2.88Å; L382-K385 PolarHBondContact O-N 3.17Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.38Å; K385-A388 PolarHBondContact O-N 2.97Å; K385-R389 PolarHBondContact O-N 3.26Å; K385-E425 WeakPolarHBondContact CD-OE1 3.48Å; K385-E425 IonicContact NZ-OE1 2.85Å; K385-E425 PolarHBondContact NZ-OE1 3.4Å; K385-E425 IonicContact NZ-OE2 2.7Å; K385-E425 PolarHBondContact NZ-OE2 2.97Å; K385-I435 HydrophobicContact CB-CD1 4.2Å; K385-I435 HydrophobicContact CD-CD1 4.19Å |
| 386 | R | 88.1 | Confident | 87 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 15% | 0.147 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 175.9 | -174.1 | 173.1 | 178.6 | -154.5 | -9.5 | 111.3 | L382 L383 A388 R389 V390 A434 I435 N438 | L382-R386 PolarHBondContact O-N 3.33Å; L383-R386 PolarHBondContact O-N 2.98Å; R386-A388 PolarHBondContact O-N 3.38Å; R386-R389 WeakPolarHBondContact O-CB 3.27Å; R386-R389 PolarHBondContact O-N 3.42Å; R386-V390 PolarHBondContact O-N 3.47Å; R386-A434 WeakPolarHBondContact CD-O 3.12Å; R386-I435 HydrophobicContact CB-CG2 4.42Å; R386-N438 PolarHBondContact NH1-OD1 2.79Å; R386-N438 PolarHBondContact NH2-ND2 3.35Å |
| 387 | L | 88 | Confident | 86.5 | Confident | 109 Ų | 109 | 88.5 Ų | 88.5 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.8 | -31.4 | 177.2 | -69.5 | 175.6 | 0 | 0 | 0 | 112.5 | L383 R384 R389 V390 | L383-L387 HydrophobicContact CD1-CD1 4.25Å; L383-L387 HydrophobicContact CD1-CG 4.21Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 HydrophobicContact CG-CG 4.37Å; L383-L387 WeakPolarHBondContact O-CB 2.98Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.17Å; L383-L387 PolarHBondContact O-N 3.25Å; R384-L387 PolarHBondContact O-N 2.88Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 2.9Å; L387-V390 PolarHBondContact O-N 3.2Å; L387-V390 VanDerWaalsContact O-O 3.08Å |
| 388 | A | 89.2 | Confident | 85.9 | Confident | 87 Ų | 87 | 89.4 Ų | 89.4 | 72% | 0.719 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.7 | -24.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R384 K385 R386 | R384-A388 WeakPolarHBondContact O-CB 3.48Å; R384-A388 PolarHBondContact O-N 3.41Å; K385-A388 PolarHBondContact O-N 2.97Å; R386-A388 PolarHBondContact O-N 3.38Å |
| 389 | R | 84.6 | Confident | 85.6 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -81.6 | -35.9 | 174.3 | -68.9 | 175.9 | 59.5 | -171.6 | -7.5 | 112.3 | K385 R386 L387 S391 Q397 I435 Y436 | K385-R389 PolarHBondContact O-N 3.26Å; R386-R389 WeakPolarHBondContact O-CB 3.27Å; R386-R389 PolarHBondContact O-N 3.42Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 2.9Å; R389-S391 PolarHBondContact O-N 3.47Å; R389-Q397 PolarHBondContact NH2-O 2.84Å; R389-I435 VanDerWaalsContact NH1-CG2 3.27Å; R389-Y436 VanDerWaalsContact NH1-CZ 3.32Å |
| 390 | V | 83.8 | Confident | 85.3 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | trans | -75.2 | 111.6 | -179.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | R386 L387 D396 | R386-V390 PolarHBondContact O-N 3.47Å; L387-V390 PolarHBondContact O-N 3.2Å; L387-V390 VanDerWaalsContact O-O 3.08Å; V390-D396 HydrophobicContact CG2-CB 4.19Å | ||
| 391 | S | 80.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 97.2 Ų | 97.2 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -94.2 | 130.5 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | R389 R393 K394 G395 | R389-S391 PolarHBondContact O-N 3.47Å; S391-R393 PolarHBondContact O-N 3.24Å; S391-K394 PolarHBondContact O-N 3.39Å; S391-G395 PolarHBondContact N-O 2.94Å; S391-G395 PolarHBondContact O-N 3.05Å |
| 392 | V | 81.1 | Confident | 84.9 | Confident | 154 Ų | 154 | 102.7 Ų | 102.7 | 93% | 0.933 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -32 | 177.1 | -178 | 0 | 0 | 0 | 0 | 112.4 | ||
| 393 | R | 81.7 | Confident | 84.7 | Confident | 240 Ų | 240 | 103.3 Ų | 103.3 | 91% | 0.906 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -29 | -179.2 | -64.4 | -175.7 | -179.9 | -179.2 | -0 | 115 | S391 | S391-R393 PolarHBondContact O-N 3.24Š|
| 394 | K | 75.7 | Confident | 84.6 | Confident | 170 Ų | 170 | 100.1 Ų | 100.1 | 74% | 0.739 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -4.7 | -171.8 | -63.3 | -175.8 | 176.5 | -178.6 | 0 | 113.5 | S391 | S391-K394 PolarHBondContact O-N 3.39Š|
| 395 | G | 81 | Confident | 84.4 | Confident | 35 Ų | 35 | 97.3 Ų | 97.3 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | 69.8 | -162.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | S391 | S391-G395 PolarHBondContact N-O 2.94Å; S391-G395 PolarHBondContact O-N 3.05Å |
| 396 | D | 79.7 | Confident | 84.2 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -74.6 | 136.6 | 174.1 | -159.3 | -4 | 0 | 0 | 0 | 110.5 | V390 | V390-D396 HydrophobicContact CG2-CB 4.19Š|
| 397 | Q | 80.3 | Confident | 84.2 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 123.6 | -179.3 | -67.6 | -177.4 | 5.5 | 0 | 0 | 109.3 | R389 | R389-Q397 PolarHBondContact NH2-O 2.84Š|
| 398 | P | 81 | Confident | 84.3 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 75% | 0.747 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 148.7 | 178.8 | 26.7 | -34.3 | 0 | 0 | 0 | 110.1 | L400 | P398-L400 PolarHBondContact O-N 3.08Š|
| 399 | R | 82.2 | Confident | 84.3 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 133.2 | 174.9 | -176.6 | 171.3 | 169 | -176.7 | -9.4 | 109.5 | N426 L427 Y436 | R399-N426 PolarHBondContact NE-O 2.81Å; R399-L427 PolarHBondContact NH1-O 3.5Å; R399-L427 PolarHBondContact NH2-O 2.89Å; R399-Y436 HydrophobicContact CB-CD1 3.87Å; R399-Y436 HydrophobicContact CB-CE1 3.86Å; R399-Y436 HydrophobicContact CG-CD1 4.09Å; R399-Y436 HydrophobicContact CG-CE1 3.71Å |
| 400 | L | 85 | Confident | 84.6 | Confident | 124 Ų | 124 | 108.5 Ų | 108.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 137.7 | 175.3 | -67.4 | 171.2 | 0 | 0 | 0 | 109.7 | P398 Y402 P403 | P398-L400 PolarHBondContact O-N 3.08Å; L400-Y402 PolarHBondContact O-N 3.17Å; L400-P403 WeakPolarHBondContact O-CD 3.49Å |
| 401 | P | 87 | Confident | 84.9 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 72% | 0.721 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -56.3 | -34.2 | 178.3 | -27 | 34.2 | 0 | 0 | 0 | 113.3 | ||
| 402 | Y | 88.9 | Confident | 85.3 | Confident | 179 Ų | 179 | 115.6 Ų | 115.6 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -124.8 | 77.3 | 178 | -54.4 | -71 | 0 | 0 | 0 | 109.7 | L400 N404 I405 | L400-Y402 PolarHBondContact O-N 3.17Å; Y402-N404 PolarHBondContact O-N 3.29Å; Y402-N404 VanDerWaalsContact O-N 3.15Å; Y402-I405 PolarHBondContact O-N 2.7Å |
| 403 | P | 86.4 | Confident | 85.9 | Confident | 28 Ų | 28 | 116.5 Ų | 116.5 | 18% | 0.182 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -17 | -167.8 | 31.9 | -37.7 | 0 | 0 | 0 | 112.8 | L400 N426 L427 | L400-P403 WeakPolarHBondContact O-CD 3.49Å; P403-N426 HydrophobicContact CB-CB 4.04Å; P403-N426 VanDerWaalsContact CB-O 3.31Å; P403-N426 WeakPolarHBondContact CB-O 3.23Å; P403-N426 WeakPolarHBondContact CG-O 3.35Å; P403-N426 PolarHBondContact O-ND2 3.06Å; P403-L427 HydrophobicContact CG-CD2 4.02Å |
| 404 | N | 88.4 | Confident | 86.4 | Confident | 31 Ų | 31 | 106.2 Ų | 106.2 | 17% | 0.166 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 33.8 | 179 | -72.8 | -36.5 | 0 | 0 | 0 | 113.3 | Y402 F406 Y407 Y423 N426 L427 | Y402-N404 PolarHBondContact O-N 3.29Å; Y402-N404 VanDerWaalsContact O-N 3.15Å; N404-F406 PolarHBondContact O-N 3.5Å; N404-F406 VanDerWaalsContact O-N 3.11Å; N404-Y407 VanDerWaalsContact O-CB 3.23Å; N404-Y407 WeakPolarHBondContact O-CB 3.26Å; N404-Y407 PolarHBondContact O-N 3.31Å; N404-Y423 WeakPolarHBondContact ND2-CD2 3.44Å; N404-Y423 VanDerWaalsContact ND2-CE2 3.34Å; N404-Y423 WeakPolarHBondContact ND2-CE2 3.24Å; N404-N426 WeakPolarHBondContact OD1-CB 3.47Å; N404-N426 PolarHBondContact OD1-ND2 3.23Å; N404-L427 WeakPolarHBondContact ND2-CG 3.31Å |
| 405 | I | 88.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.6 | -179.6 | -160.9 | 166.9 | 0 | 0 | 0 | 113.3 | Y402 | Y402-I405 PolarHBondContact O-N 2.7Š|
| 406 | F | 87.1 | Confident | 87.6 | Confident | 133 Ų | 133 | 104.5 Ų | 104.5 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 14.9 | 178 | -57.8 | -65.2 | 0 | 0 | 0 | 114.1 | N404 Y408 K409 D410 | N404-F406 PolarHBondContact O-N 3.5Å; N404-F406 VanDerWaalsContact O-N 3.11Å; F406-Y408 VanDerWaalsContact C-N 3.27Å; F406-Y408 PolarHBondContact O-N 2.95Å; F406-Y408 VanDerWaalsContact O-N 3.12Å; F406-K409 PolarHBondContact O-N 3.36Å; F406-D410 PolarHBondContact O-N 3.02Å |
| 407 | Y | 88.4 | Confident | 88.2 | Confident | 96 Ų | 96 | 105.6 Ų | 105.6 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -48.1 | -46.7 | -175 | 179.8 | -91.2 | 0 | 0 | 0 | 113.6 | N404 K411 H419 Y423 | N404-Y407 VanDerWaalsContact O-CB 3.23Å; N404-Y407 WeakPolarHBondContact O-CB 3.26Å; N404-Y407 PolarHBondContact O-N 3.31Å; Y407-K411 HydrophobicContact CE1-CD 4.07Å; Y407-K411 VanDerWaalsContact O-CB 3.29Å; Y407-K411 WeakPolarHBondContact O-CB 3.49Å; Y407-K411 PolarHBondContact O-N 2.86Å; Y407-H419 AromaticContact CD2-CE1 3.85Å; Y407-H419 AromaticContact CD2-NE2 3.63Å; Y407-H419 AromaticContact CE2-CE1 3.34Å; Y407-H419 WeakPolarHBondContact CE2-CE1 3.24Å; Y407-H419 AromaticContact CE2-NE2 3.64Å; Y407-H419 AromaticContact CZ-CE1 3.61Å; Y407-H419 PolarHBondContact O-NE2 2.85Å; Y407-Y423 AromaticContact CD2-CD2 3.68Å; Y407-Y423 HydrophobicContact CD2-CD2 3.68Å; Y407-Y423 AromaticContact CD2-CE2 4Å; Y407-Y423 HydrophobicContact CD2-CE2 4Å; Y407-Y423 AromaticContact CE2-CD2 3.6Å; Y407-Y423 HydrophobicContact CE2-CD2 3.6Å; Y407-Y423 AromaticContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CG 4.4Å |
| 408 | Y | 88.5 | Confident | 88.7 | Confident | 170 Ų | 170 | 103 Ų | 103 | 67% | 0.667 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | -179.7 | -176.1 | -95.1 | 0 | 0 | 0 | 111.6 | F406 D410 K411 H412 | F406-Y408 VanDerWaalsContact C-N 3.27Å; F406-Y408 PolarHBondContact O-N 2.95Å; F406-Y408 VanDerWaalsContact O-N 3.12Å; Y408-D410 PolarHBondContact O-N 3.46Å; Y408-K411 PolarHBondContact O-N 2.8Å; Y408-H412 AromaticContact CD1-CD2 4Å; Y408-H412 AromaticContact CE1-CD2 3.66Å; Y408-H412 AromaticContact CE1-NE2 3.81Å; Y408-H412 AromaticContact CE2-CD2 4Å; Y408-H412 AromaticContact CE2-NE2 3.51Å; Y408-H412 AromaticContact CZ-CD2 3.67Å; Y408-H412 AromaticContact CZ-NE2 3.29Å; Y408-H412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-H412 PolarHBondContact O-CD2 3.43Å; Y408-H412 VanDerWaalsContact O-CD2 3.24Å; Y408-H412 PolarHBondContact O-N 3.49Å; Y408-H412 PolarHBondContact OH-NE2 3.31Å |
| 409 | K | 90.2 | Very high | 89.3 | Confident | 147 Ų | 147 | 98.5 Ų | 98.5 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 178.8 | -174.1 | 178.8 | 178.1 | -178.9 | 0 | 111.1 | F406 K411 H412 F413 | F406-K409 PolarHBondContact O-N 3.36Å; K409-K411 PolarHBondContact O-N 3.04Å; K409-H412 PolarHBondContact O-N 3.02Å; K409-F413 PolarHBondContact O-N 3.29Å; K409-F413 VanDerWaalsContact O-N 3.12Å |
| 410 | D | 90.3 | Very high | 89.7 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 18% | 0.176 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | -179 | -70.9 | -18 | 0 | 0 | 0 | 112.1 | F406 Y408 H412 F413 L414 | F406-D410 PolarHBondContact O-N 3.02Å; Y408-D410 PolarHBondContact O-N 3.46Å; D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.25Å; D410-F413 PolarHBondContact O-N 3.04Å; D410-L414 HydrophobicContact CB-CD1 3.83Å; D410-L414 HydrophobicContact CB-CG 4.43Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.06Å |
| 411 | K | 89.9 | Confident | 90 | Very high | 123 Ų | 123 | 92.6 Ų | 92.6 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 177.2 | -175 | 176.5 | 177.6 | -179.9 | 0 | 112.9 | Y407 Y408 K409 H419 | Y407-K411 HydrophobicContact CE1-CD 4.07Å; Y407-K411 VanDerWaalsContact O-CB 3.29Å; Y407-K411 WeakPolarHBondContact O-CB 3.49Å; Y407-K411 PolarHBondContact O-N 2.86Å; Y408-K411 PolarHBondContact O-N 2.8Å; K409-K411 PolarHBondContact O-N 3.04Å; K411-H419 PolarHBondContact N-CD2 2.86Å |
| 412 | H | 89.6 | Confident | 90.1 | Very high | 133 Ų | 133 | 92.6 Ų | 92.6 | 62% | 0.616 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -85.7 | -32.7 | 179.2 | -78.7 | -71.9 | 0 | 0 | 0 | 113.4 | Y408 K409 D410 | Y408-H412 AromaticContact CD1-CD2 4Å; Y408-H412 AromaticContact CE1-CD2 3.66Å; Y408-H412 AromaticContact CE1-NE2 3.81Å; Y408-H412 AromaticContact CE2-CD2 4Å; Y408-H412 AromaticContact CE2-NE2 3.51Å; Y408-H412 AromaticContact CZ-CD2 3.67Å; Y408-H412 AromaticContact CZ-NE2 3.29Å; Y408-H412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-H412 PolarHBondContact O-CD2 3.43Å; Y408-H412 VanDerWaalsContact O-CD2 3.24Å; Y408-H412 PolarHBondContact O-N 3.49Å; Y408-H412 PolarHBondContact OH-NE2 3.31Å; K409-H412 PolarHBondContact O-N 3.02Å; D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.25Å |
| 413 | F | 93.2 | Very high | 90.3 | Very high | 173 Ų | 173 | 88.2 Ų | 88.2 | 76% | 0.759 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -93.6 | -35.6 | -174.1 | -172 | -100.9 | 0 | 0 | 0 | 113.6 | K409 D410 | K409-F413 PolarHBondContact O-N 3.29Å; K409-F413 VanDerWaalsContact O-N 3.12Å; D410-F413 PolarHBondContact O-N 3.04Å |
| 414 | L | 92.7 | Very high | 90.5 | Very high | 23 Ų | 23 | 90.7 Ų | 90.7 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -91.7 | 149.5 | -175.2 | -57.2 | 174.5 | 0 | 0 | 0 | 111.4 | D410 L418 H419 | D410-L414 HydrophobicContact CB-CD1 3.83Å; D410-L414 HydrophobicContact CB-CG 4.43Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.06Å; L414-L418 HydrophobicContact CD2-CD2 4.04Å; L414-H419 HydrophobicContact CB-CB 4.25Å |
| 415 | P | 92.6 | Very high | 90.7 | Very high | 69 Ų | 69 | 91.4 Ų | 91.4 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | trans | -54.4 | 144.4 | 163.5 | -24.4 | 34.7 | 0 | 0 | 0 | 111.2 | W417 L418 H419 | P415-W417 VanDerWaalsContact C-N 3.28Å; P415-W417 PolarHBondContact O-N 2.93Å; P415-W417 VanDerWaalsContact O-N 3.17Å; P415-L418 PolarHBondContact O-N 2.89Å; P415-L418 VanDerWaalsContact O-N 3.11Å; P415-H419 PolarHBondContact O-N 2.95Å | ||
| 416 | S | 90.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 87.9 Ų | 87.9 | 70% | 0.699 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.8 | -38.6 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | L420 | S416-L420 WeakPolarHBondContact O-CB 3.26Å; S416-L420 PolarHBondContact O-N 2.9Å |
| 417 | W | 90.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 83.4 Ų | 83.4 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 179.9 | 67.8 | -90.5 | 0 | 0 | 0 | 112.3 | F365 P415 L420 E421 | F365-W417 AromaticContact CE1-CD1 3.94Å; F365-W417 HydrophobicContact CE1-CD2 4.16Å; F365-W417 HydrophobicContact CE1-CG 4.02Å; F365-W417 AromaticContact CZ-CD2 3.64Å; F365-W417 HydrophobicContact CZ-CD2 3.64Å; F365-W417 AromaticContact CZ-CE2 3.65Å; F365-W417 HydrophobicContact CZ-CE3 4.01Å; F365-W417 AromaticContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CH2 4.39Å; F365-W417 HydrophobicContact CZ-CZ2 4.05Å; F365-W417 HydrophobicContact CZ-CZ3 4.37Å; F365-W417 AromaticContact CZ-NE1 3.94Å; P415-W417 VanDerWaalsContact C-N 3.28Å; P415-W417 PolarHBondContact O-N 2.93Å; P415-W417 VanDerWaalsContact O-N 3.17Å; W417-L420 PolarHBondContact O-N 3.22Å; W417-E421 PolarHBondContact O-N 2.94Å |
| 418 | L | 92.5 | Very high | 90.9 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.5 | -38 | 179.1 | -179.2 | 63 | 0 | 0 | 0 | 111.2 | L414 P415 L420 E421 R422 | L414-L418 HydrophobicContact CD2-CD2 4.04Å; P415-L418 PolarHBondContact O-N 2.89Å; P415-L418 VanDerWaalsContact O-N 3.11Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.38Å; L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.02Å |
| 419 | H | 92.6 | Very high | 90.9 | Very high | 19 Ų | 19 | 75.2 Ų | 75.2 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 171.5 | 175.3 | -111.4 | 0 | 0 | 0 | 111.4 | Y407 K411 L414 P415 R422 Y423 | Y407-H419 AromaticContact CD2-CE1 3.85Å; Y407-H419 AromaticContact CD2-NE2 3.63Å; Y407-H419 AromaticContact CE2-CE1 3.34Å; Y407-H419 WeakPolarHBondContact CE2-CE1 3.24Å; Y407-H419 AromaticContact CE2-NE2 3.64Å; Y407-H419 AromaticContact CZ-CE1 3.61Å; Y407-H419 PolarHBondContact O-NE2 2.85Å; K411-H419 PolarHBondContact N-CD2 2.86Å; L414-H419 HydrophobicContact CB-CB 4.25Å; P415-H419 PolarHBondContact O-N 2.95Å; H419-R422 PolarHBondContact O-N 2.99Å; H419-Y423 VanDerWaalsContact O-CB 3.23Å; H419-Y423 WeakPolarHBondContact O-CB 3.41Å; H419-Y423 PolarHBondContact O-N 3.25Å |
| 420 | L | 90.9 | Very high | 90.6 | Very high | 76 Ų | 76 | 71.3 Ų | 71.3 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 179.7 | -171.1 | 159.4 | 0 | 0 | 0 | 112.1 | S416 W417 L418 Y423 K424 | S416-L420 WeakPolarHBondContact O-CB 3.26Å; S416-L420 PolarHBondContact O-N 2.9Å; W417-L420 PolarHBondContact O-N 3.22Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L420-Y423 PolarHBondContact O-N 2.91Å; L420-K424 HydrophobicContact CD2-CD 3.67Å; L420-K424 HydrophobicContact CD2-CG 4.19Å; L420-K424 WeakPolarHBondContact O-CG 3.31Å; L420-K424 PolarHBondContact O-N 3.49Å |
| 421 | E | 90.3 | Very high | 90.4 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 174.4 | -79.6 | 177.5 | -163.7 | 0 | 0 | 112 | N366 W417 L418 Y423 K424 E425 | N366-E421 PolarHBondContact ND2-OE1 3.1Å; N366-E421 VanDerWaalsContact ND2-OE1 3.17Å; W417-E421 PolarHBondContact O-N 2.94Å; L418-E421 PolarHBondContact O-N 3.38Å; E421-Y423 VanDerWaalsContact C-N 3.29Å; E421-Y423 PolarHBondContact O-N 3.43Å; E421-K424 PolarHBondContact O-N 2.64Å; E421-E425 VanDerWaalsContact O-CB 3.31Å; E421-E425 WeakPolarHBondContact O-CB 3.49Å; E421-E425 PolarHBondContact O-N 3.35Å |
| 422 | R | 90.5 | Very high | 90.4 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 175 | -77 | -172.3 | 177.6 | -179.2 | -0.9 | 111.9 | L418 H419 K424 E425 N426 | L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.02Å; H419-R422 PolarHBondContact O-N 2.99Å; R422-K424 PolarHBondContact O-N 3.4Å; R422-E425 PolarHBondContact O-N 3.23Å; R422-N426 VanDerWaalsContact O-CB 3.22Å; R422-N426 WeakPolarHBondContact O-CB 3.5Å; R422-N426 PolarHBondContact O-N 3.28Å; R422-N426 PolarHBondContact O-ND2 2.91Å |
| 423 | Y | 91.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 66 Ų | 66 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 177.5 | 173.8 | -96.8 | 0 | 0 | 0 | 112 | N404 Y407 H419 L420 E421 L427 L429 | N404-Y423 WeakPolarHBondContact ND2-CD2 3.44Å; N404-Y423 VanDerWaalsContact ND2-CE2 3.34Å; N404-Y423 WeakPolarHBondContact ND2-CE2 3.24Å; Y407-Y423 AromaticContact CD2-CD2 3.68Å; Y407-Y423 HydrophobicContact CD2-CD2 3.68Å; Y407-Y423 AromaticContact CD2-CE2 4Å; Y407-Y423 HydrophobicContact CD2-CE2 4Å; Y407-Y423 AromaticContact CE2-CD2 3.6Å; Y407-Y423 HydrophobicContact CE2-CD2 3.6Å; Y407-Y423 AromaticContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CG 4.4Å; H419-Y423 VanDerWaalsContact O-CB 3.23Å; H419-Y423 WeakPolarHBondContact O-CB 3.41Å; H419-Y423 PolarHBondContact O-N 3.25Å; L420-Y423 PolarHBondContact O-N 2.91Å; E421-Y423 VanDerWaalsContact C-N 3.29Å; E421-Y423 PolarHBondContact O-N 3.43Å; Y423-L427 HydrophobicContact CD1-CD1 4.16Å; Y423-L427 HydrophobicContact CD2-CD1 4.27Å; Y423-L427 HydrophobicContact CE1-CD1 3.54Å; Y423-L427 HydrophobicContact CE2-CD1 3.68Å; Y423-L427 HydrophobicContact CG-CD1 4.49Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.31Å; Y423-L427 WeakPolarHBondContact OH-CD1 3.3Å; Y423-L429 HydrophobicContact CE1-CD1 4.39Å |
| 424 | K | 91.8 | Very high | 90 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 177.3 | -73.8 | -177.8 | 176.2 | 175.5 | 0 | 112.2 | L420 E421 R422 L427 G428 L429 Y432 | L420-K424 HydrophobicContact CD2-CD 3.67Å; L420-K424 HydrophobicContact CD2-CG 4.19Å; L420-K424 WeakPolarHBondContact O-CG 3.31Å; L420-K424 PolarHBondContact O-N 3.49Å; E421-K424 PolarHBondContact O-N 2.64Å; R422-K424 PolarHBondContact O-N 3.4Å; K424-L427 PolarHBondContact O-N 2.84Å; K424-G428 PolarHBondContact O-N 2.71Å; K424-L429 HydrophobicContact CB-CB 4.29Å; K424-L429 HydrophobicContact CG-CB 4.34Å; K424-L429 PolarHBondContact O-N 3.22Å; K424-Y432 HydrophobicContact CB-CD2 3.77Å; K424-Y432 HydrophobicContact CB-CE2 3.94Å |
| 425 | E | 92 | Very high | 89.8 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.3 | -176.1 | 169 | 176.7 | 0 | 0 | 111.7 | K385 E421 R422 L427 G428 Y432 I435 Y436 | K385-E425 WeakPolarHBondContact CD-OE1 3.48Å; K385-E425 IonicContact NZ-OE1 2.85Å; K385-E425 PolarHBondContact NZ-OE1 3.4Å; K385-E425 IonicContact NZ-OE2 2.7Å; K385-E425 PolarHBondContact NZ-OE2 2.97Å; E421-E425 VanDerWaalsContact O-CB 3.31Å; E421-E425 WeakPolarHBondContact O-CB 3.49Å; E421-E425 PolarHBondContact O-N 3.35Å; R422-E425 PolarHBondContact O-N 3.23Å; E425-L427 VanDerWaalsContact C-N 3.26Å; E425-L427 PolarHBondContact O-N 3.38Å; E425-G428 PolarHBondContact O-N 3.43Å; E425-Y432 HydrophobicContact CB-CD1 3.79Å; E425-Y432 HydrophobicContact CB-CD2 4.26Å; E425-Y432 HydrophobicContact CB-CE1 4.02Å; E425-Y432 HydrophobicContact CB-CE2 4.46Å; E425-Y432 HydrophobicContact CB-CG 3.91Å; E425-Y432 HydrophobicContact CG-CD1 3.82Å; E425-Y432 HydrophobicContact CG-CE1 4.18Å; E425-Y432 HydrophobicContact CG-CG 4.3Å; E425-I435 HydrophobicContact CG-CD1 3.98Å; E425-Y436 WeakPolarHBondContact O-CE2 3.42Å; E425-Y436 PolarHBondContact O-OH 3.3Å |
| 426 | N | 90.8 | Very high | 89.5 | Confident | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -31.7 | 175.6 | -74.8 | -9.7 | 0 | 0 | 0 | 112.7 | R399 P403 N404 R422 Y436 | R399-N426 PolarHBondContact NE-O 2.81Å; P403-N426 HydrophobicContact CB-CB 4.04Å; P403-N426 VanDerWaalsContact CB-O 3.31Å; P403-N426 WeakPolarHBondContact CB-O 3.23Å; P403-N426 WeakPolarHBondContact CG-O 3.35Å; P403-N426 PolarHBondContact O-ND2 3.06Å; N404-N426 WeakPolarHBondContact OD1-CB 3.47Å; N404-N426 PolarHBondContact OD1-ND2 3.23Å; R422-N426 VanDerWaalsContact O-CB 3.22Å; R422-N426 WeakPolarHBondContact O-CB 3.5Å; R422-N426 PolarHBondContact O-N 3.28Å; R422-N426 PolarHBondContact O-ND2 2.91Å; N426-Y436 PolarHBondContact O-OH 3.35Å |
| 427 | L | 89.2 | Confident | 89.1 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -88.2 | -11.4 | 179.1 | -70.1 | 177 | 0 | 0 | 0 | 114.8 | R399 P403 N404 Y423 K424 E425 L429 | R399-L427 PolarHBondContact NH1-O 3.5Å; R399-L427 PolarHBondContact NH2-O 2.89Å; P403-L427 HydrophobicContact CG-CD2 4.02Å; N404-L427 WeakPolarHBondContact ND2-CG 3.31Å; Y423-L427 HydrophobicContact CD1-CD1 4.16Å; Y423-L427 HydrophobicContact CD2-CD1 4.27Å; Y423-L427 HydrophobicContact CE1-CD1 3.54Å; Y423-L427 HydrophobicContact CE2-CD1 3.68Å; Y423-L427 HydrophobicContact CG-CD1 4.49Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.31Å; Y423-L427 WeakPolarHBondContact OH-CD1 3.3Å; K424-L427 PolarHBondContact O-N 2.84Å; E425-L427 VanDerWaalsContact C-N 3.26Å; E425-L427 PolarHBondContact O-N 3.38Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 HydrophobicContact CB-CD1 3.86Å; L427-L429 HydrophobicContact CB-CG 3.68Å; L427-L429 HydrophobicContact CD1-CD1 3.74Å; L427-L429 HydrophobicContact CD1-CG 4.45Å; L427-L429 HydrophobicContact CG-CD1 4.47Å |
| 428 | G | 88.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 34.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K424 E425 K433 | K424-G428 PolarHBondContact O-N 2.71Å; E425-G428 PolarHBondContact O-N 3.43Å; G428-K433 VanDerWaalsContact O-CA 3.31Å; G428-K433 WeakPolarHBondContact O-CA 3.37Å; G428-K433 WeakPolarHBondContact O-CB 3.33Å; G428-K433 PolarHBondContact O-N 3.16Å |
| 429 | L | 87.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | trans | -86.7 | 136.6 | -178.5 | -67 | 173.9 | 0 | 0 | 0 | 111.7 | Y423 K424 L427 K431 Y432 | Y423-L429 HydrophobicContact CE1-CD1 4.39Å; K424-L429 HydrophobicContact CB-CB 4.29Å; K424-L429 HydrophobicContact CG-CB 4.34Å; K424-L429 PolarHBondContact O-N 3.22Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 HydrophobicContact CB-CD1 3.86Å; L427-L429 HydrophobicContact CB-CG 3.68Å; L427-L429 HydrophobicContact CD1-CD1 3.74Å; L427-L429 HydrophobicContact CD1-CG 4.45Å; L427-L429 HydrophobicContact CG-CD1 4.47Å; L429-K431 PolarHBondContact O-N 2.68Å; L429-Y432 PolarHBondContact O-N 2.86Å | ||
| 430 | G | 85.7 | Confident | 85.4 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | 61.5 | -127.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y432 K433 | G430-Y432 PolarHBondContact O-N 3.3Å; G430-Y432 VanDerWaalsContact O-N 3.14Å; G430-K433 WeakPolarHBondContact O-CB 3.26Å; G430-K433 PolarHBondContact O-N 3.08Å |
| 431 | K | 85.5 | Confident | 83.5 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -56.8 | -30 | -179.4 | 70.3 | 180 | -179.6 | 179.2 | 0 | 113.8 | D370 I378 L382 L429 K433 | D370-K431 IonicContact OD2-NZ 3.5Å; D370-K431 PolarHBondContact OD2-NZ 3.17Å; I378-K431 HydrophobicContact CG2-CD 4.13Å; L382-K431 HydrophobicContact CD1-CB 4.15Å; L382-K431 VanDerWaalsContact CD1-O 3.26Å; L382-K431 WeakPolarHBondContact CD1-O 3.39Å; L429-K431 PolarHBondContact O-N 2.68Å; K431-K433 PolarHBondContact O-N 2.8Å |
| 432 | Y | 90.2 | Very high | 83.2 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -76.2 | -6.3 | -178.8 | -58.4 | -71.5 | 0 | 0 | 0 | 114.2 | L382 K424 E425 L429 G430 A434 I435 | L382-Y432 HydrophobicContact CD2-CD1 3.8Å; L382-Y432 HydrophobicContact CD2-CE1 4.22Å; K424-Y432 HydrophobicContact CB-CD2 3.77Å; K424-Y432 HydrophobicContact CB-CE2 3.94Å; E425-Y432 HydrophobicContact CB-CD1 3.79Å; E425-Y432 HydrophobicContact CB-CD2 4.26Å; E425-Y432 HydrophobicContact CB-CE1 4.02Å; E425-Y432 HydrophobicContact CB-CE2 4.46Å; E425-Y432 HydrophobicContact CB-CG 3.91Å; E425-Y432 HydrophobicContact CG-CD1 3.82Å; E425-Y432 HydrophobicContact CG-CE1 4.18Å; E425-Y432 HydrophobicContact CG-CG 4.3Å; L429-Y432 PolarHBondContact O-N 2.86Å; G430-Y432 PolarHBondContact O-N 3.3Å; G430-Y432 VanDerWaalsContact O-N 3.14Å; Y432-A434 PolarHBondContact O-N 2.84Å; Y432-I435 HydrophobicContact CD1-CD1 3.72Å; Y432-I435 HydrophobicContact CG-CD1 4.49Å; Y432-I435 WeakPolarHBondContact O-CB 3.46Å; Y432-I435 PolarHBondContact O-N 3.28Å; Y432-I435 VanDerWaalsContact O-N 3.1Å |
| 433 | K | 88.2 | Confident | 82.8 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 45% | 0.452 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.6 | -39.7 | 174.1 | -168.3 | 177.3 | 177.3 | -161.5 | 0 | 111.3 | G428 G430 K431 I435 Y436 E437 | G428-K433 VanDerWaalsContact O-CA 3.31Å; G428-K433 WeakPolarHBondContact O-CA 3.37Å; G428-K433 WeakPolarHBondContact O-CB 3.33Å; G428-K433 PolarHBondContact O-N 3.16Å; G430-K433 WeakPolarHBondContact O-CB 3.26Å; G430-K433 PolarHBondContact O-N 3.08Å; K431-K433 PolarHBondContact O-N 2.8Å; K433-I435 PolarHBondContact O-N 3.12Å; K433-Y436 PolarHBondContact O-N 3.34Å; K433-E437 WeakPolarHBondContact CE-OE1 3.12Å; K433-E437 WeakPolarHBondContact CE-OE2 3.23Å; K433-E437 IonicContact NZ-OE1 3.35Å; K433-E437 IonicContact NZ-OE2 2.79Å; K433-E437 PolarHBondContact NZ-OE2 3.26Å; K433-E437 PolarHBondContact O-N 3.47Å |
| 434 | A | 85.9 | Confident | 82.3 | Confident | 42 Ų | 42 | 68.8 Ų | 68.8 | 35% | 0.347 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -13 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R386 Y432 E437 | R386-A434 WeakPolarHBondContact CD-O 3.12Å; Y432-A434 PolarHBondContact O-N 2.84Å; A434-E437 WeakPolarHBondContact CA-O 3.48Å |
| 435 | I | 88 | Confident | 81.8 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.4 | -31.9 | 175.2 | -54.6 | -178.7 | 0 | 0 | 0 | 110.7 | L382 K385 R386 R389 E425 Y432 K433 | L382-I435 HydrophobicContact CD2-CD1 3.98Å; L382-I435 HydrophobicContact CD2-CG1 3.99Å; K385-I435 HydrophobicContact CB-CD1 4.2Å; K385-I435 HydrophobicContact CD-CD1 4.19Å; R386-I435 HydrophobicContact CB-CG2 4.42Å; R389-I435 VanDerWaalsContact NH1-CG2 3.27Å; E425-I435 HydrophobicContact CG-CD1 3.98Å; Y432-I435 HydrophobicContact CD1-CD1 3.72Å; Y432-I435 HydrophobicContact CG-CD1 4.49Å; Y432-I435 WeakPolarHBondContact O-CB 3.46Å; Y432-I435 PolarHBondContact O-N 3.28Å; Y432-I435 VanDerWaalsContact O-N 3.1Å; K433-I435 PolarHBondContact O-N 3.12Å |
| 436 | Y | 86 | Confident | 81.1 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -104.4 | -32.5 | -177.5 | -57 | -89.4 | 0 | 0 | 0 | 113.3 | R389 R399 E425 N426 K433 | R389-Y436 VanDerWaalsContact NH1-CZ 3.32Å; R399-Y436 HydrophobicContact CB-CD1 3.87Å; R399-Y436 HydrophobicContact CB-CE1 3.86Å; R399-Y436 HydrophobicContact CG-CD1 4.09Å; R399-Y436 HydrophobicContact CG-CE1 3.71Å; E425-Y436 WeakPolarHBondContact O-CE2 3.42Å; E425-Y436 PolarHBondContact O-OH 3.3Å; N426-Y436 PolarHBondContact O-OH 3.35Å; K433-Y436 PolarHBondContact O-N 3.34Å |
| 437 | E | 82.4 | Confident | 80.5 | Confident | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -107 | 125.3 | 178.6 | -71.3 | 176.4 | -138.8 | 0 | 0 | 108.9 | K433 A434 | K433-E437 WeakPolarHBondContact CE-OE1 3.12Å; K433-E437 WeakPolarHBondContact CE-OE2 3.23Å; K433-E437 IonicContact NZ-OE1 3.35Å; K433-E437 IonicContact NZ-OE2 2.79Å; K433-E437 PolarHBondContact NZ-OE2 3.26Å; K433-E437 PolarHBondContact O-N 3.47Å; A434-E437 WeakPolarHBondContact CA-O 3.48Å |
| 438 | N | 73 | Confident | 79.9 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | trans | -78.2 | 126.6 | 170.4 | -157.4 | -1.5 | 0 | 0 | 0 | 108.4 | R386 L440 D441 | R386-N438 PolarHBondContact NH1-OD1 2.79Å; R386-N438 PolarHBondContact NH2-ND2 3.35Å; N438-L440 PolarHBondContact O-N 3.35Å; N438-L440 VanDerWaalsContact O-N 3.16Å; N438-D441 HydrophobicContact CB-CB 3.79Å; N438-D441 VanDerWaalsContact CB-CG 3.48Å; N438-D441 WeakPolarHBondContact CB-OD2 3.18Å; N438-D441 VanDerWaalsContact ND2-CG 3.3Å; N438-D441 PolarHBondContact ND2-OD1 3.39Å; N438-D441 PolarHBondContact ND2-OD2 3.12Å; N438-D441 PolarHBondContact O-N 3.28Å; N438-D441 VanDerWaalsContact O-OXT 3.08Å | ||
| 439 | P | 64 | Low | 79.2 | Confident | 113 Ų | 113 | 78 Ų | 78 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.7 | 170.9 | 24.2 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 440 | L | 60.1 | Low | 78.5 | Confident | 154 Ų | 154 | 77.7 Ų | 77.7 | 81% | 0.806 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -13.9 | 178.1 | -61.6 | 175.7 | 0 | 0 | 0 | 114.2 | N438 | N438-L440 PolarHBondContact O-N 3.35Å; N438-L440 VanDerWaalsContact O-N 3.16Å |
| 441 | D | 53 | Low | 77.8 | Confident | 181 Ų | 181 | 78.8 Ų | 78.8 | 97% | 0.968 | 41% | 0.413 | S | S | * | . | trans | -97.9 | 0 | 174.3 | -57.2 | -33.7 | 0 | 0 | 0 | 108.8 | N438 | N438-D441 HydrophobicContact CB-CB 3.79Å; N438-D441 VanDerWaalsContact CB-CG 3.48Å; N438-D441 WeakPolarHBondContact CB-OD2 3.18Å; N438-D441 VanDerWaalsContact ND2-CG 3.3Å; N438-D441 PolarHBondContact ND2-OD1 3.39Å; N438-D441 PolarHBondContact ND2-OD2 3.12Å; N438-D441 PolarHBondContact O-N 3.28Å; N438-D441 VanDerWaalsContact O-OXT 3.08Å |
Retrieved 441 of 441 residues in 2259.2 ms
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