| 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 | 27.4 | Very low | 29.7 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 100% | 1.192 | 80% | 0.797 | S | S | * | * | 0 | 78 | 0 | -72.6 | 171.8 | 156.1 | 0 | 0 | 106.5 | |||||
| 2 | A | 37.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | 67.6 | 70.7 | 87.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 3 | Q | 30.7 | Very low | 30 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -167.8 | 89.6 | 158 | -136.7 | 176.9 | -3.2 | 0 | 0 | 109 | ||||
| 4 | T | 29.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 175.6 | 49.4 | 159 | 29.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 5 | D | 30.7 | Very low | 31 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -137.8 | 20.6 | 176.3 | -97.9 | -26.1 | 0 | 0 | 0 | 114.3 | ||||
| 6 | S | 25.6 | Very low | 31.4 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -105.1 | -1.7 | 176.5 | 100.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 7 | K | 27.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 111 Ų | 111 | 77% | 0.774 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -104.7 | -13.9 | -178.8 | -66.6 | -173.9 | 178.9 | -177.6 | 0 | 113.9 | ||
| 8 | V | 28.7 | Very low | 32.6 | Very low | 111 Ų | 111 | 107 Ų | 107 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -87.1 | -23.1 | 176 | -179 | 0 | 0 | 0 | 0 | 111.3 | V10 | V8-V10 PolarHBondContact O-N 3.35Š|
| 9 | L | 29.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 102.3 Ų | 102.3 | 78% | 0.78 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -12.9 | -179.5 | -123.3 | 91.2 | 0 | 0 | 0 | 114.9 | ||
| 10 | V | 30 | Very low | 33.1 | Very low | 111 Ų | 111 | 100.3 Ų | 100.3 | 67% | 0.673 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -5.5 | -177.5 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | V8 | V8-V10 PolarHBondContact O-N 3.35Š|
| 11 | L | 30.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 98.3 Ų | 98.3 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -103 | -2.1 | 177.4 | -72.6 | 166.1 | 0 | 0 | 0 | 113.6 | ||
| 12 | G | 30.3 | Very low | 34 | Very low | 64 Ų | 64 | 89.2 Ų | 89.2 | 66% | 0.66 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -96.6 | 12.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 13 | A | 33.3 | Very low | 33.8 | Very low | 61 Ų | 61 | 86 Ų | 86 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -107.5 | 27.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 14 | L | 38.6 | Very low | 34.3 | Very low | 98 Ų | 98 | 80.7 Ų | 80.7 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | trans | -139.8 | 21 | -165.8 | -73.3 | 176.5 | 0 | 0 | 0 | 114.6 | I270 | L14-I270 HydrophobicContact CD2-CD1 4.19Š| ||
| 15 | A | 35.2 | Very low | 34.7 | Very low | 45 Ų | 45 | 75.2 Ų | 75.2 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -100.5 | 12.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | I20 E315 | A15-I20 HydrophobicContact CB-CD1 4.36Å; A15-I20 WeakPolarHBondContact O-CD1 3.47Å; A15-I20 WeakPolarHBondContact O-CG1 3.45Å; A15-E315 WeakPolarHBondContact CA-OE1 3.47Å; A15-E315 VanDerWaalsContact CB-OE1 3.31Å; A15-E315 WeakPolarHBondContact CB-OE1 3.33Å; A15-E315 PolarHBondContact N-OE1 3.28Å |
| 16 | G | 38 | Very low | 35 | Very low | 4 Ų | 4 | 73.1 Ų | 73.1 | 4% | 0.041 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -148.9 | 45.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | L311 E315 | G16-L311 WeakPolarHBondContact O-CD2 3.48Å; G16-E315 VanDerWaalsContact N-CD 3.29Å; G16-E315 PolarHBondContact N-OE1 3.03Å |
| 17 | V | 37.6 | Very low | 35.6 | Very low | 29 Ų | 29 | 77.7 Ų | 77.7 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -147.4 | 111.9 | 175.3 | -161.3 | 0 | 0 | 0 | 0 | 110.1 | I270 K273 I274 | V17-I270 HydrophobicContact CG1-CG2 4.06Å; V17-I270 HydrophobicContact CG2-CG2 4.06Å; V17-K273 HydrophobicContact CG1-CB 4.01Å; V17-I274 HydrophobicContact CB-CG1 4.47Å; V17-I274 HydrophobicContact CG1-CB 4.42Å; V17-I274 HydrophobicContact CG1-CD1 3.55Å; V17-I274 HydrophobicContact CG1-CG1 3.11Å; V17-I274 HydrophobicContact CG2-CD1 4.47Å |
| 18 | A | 46.9 | Very low | 35.9 | Very low | 39 Ų | 39 | 76.6 Ų | 76.6 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 67.2 | 168.8 | -153.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I20 | A18-I20 PolarHBondContact O-N 3.3Š|
| 19 | G | 34.1 | Very low | 35.9 | Very low | 18 Ų | 18 | 74.5 Ų | 74.5 | 19% | 0.186 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -69.2 | 63 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S21 L22 | G19-S21 PolarHBondContact O-N 3.47Å; G19-L22 VanDerWaalsContact O-CB 3.25Å; G19-L22 WeakPolarHBondContact O-CB 3.45Å; G19-L22 VanDerWaalsContact O-CD1 3.25Å; G19-L22 WeakPolarHBondContact O-CD1 3.48Å; G19-L22 PolarHBondContact O-N 3.05Å |
| 20 | I | 40.2 | Very low | 36.1 | Very low | 62 Ų | 62 | 75.1 Ų | 75.1 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 33.7 | 57.9 | 177.4 | -45.6 | 177.7 | 0 | 0 | 0 | 110.2 | A15 A18 L22 Q310 | A15-I20 HydrophobicContact CB-CD1 4.36Å; A15-I20 WeakPolarHBondContact O-CD1 3.47Å; A15-I20 WeakPolarHBondContact O-CG1 3.45Å; A18-I20 PolarHBondContact O-N 3.3Å; I20-L22 HydrophobicContact CB-CD1 4.35Å; I20-L22 PolarHBondContact O-N 2.94Å; I20-Q310 HydrophobicContact CD1-CB 4.12Å |
| 21 | S | 39.1 | Very low | 36.1 | Very low | 58 Ų | 58 | 80.6 Ų | 80.6 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 20.5 | 177.7 | -67.1 | 0 | 0 | 0 | 0 | 114.8 | G19 A23 V24 | G19-S21 PolarHBondContact O-N 3.47Å; S21-A23 CarbonylContact O-C 3.58Å; S21-A23 WeakPolarHBondContact O-CA 3.42Å; S21-A23 PolarHBondContact O-N 3.33Å; S21-V24 WeakPolarHBondContact O-CG2 3.36Å; S21-V24 PolarHBondContact O-N 3.25Å |
| 22 | L | 40.3 | Very low | 35.9 | Very low | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.272 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -60 | 89.5 | 177.7 | -99.1 | 74.9 | 0 | 0 | 0 | 107.3 | G19 I20 R303 Y306 F355 | G19-L22 VanDerWaalsContact O-CB 3.25Å; G19-L22 WeakPolarHBondContact O-CB 3.45Å; G19-L22 VanDerWaalsContact O-CD1 3.25Å; G19-L22 WeakPolarHBondContact O-CD1 3.48Å; G19-L22 PolarHBondContact O-N 3.05Å; I20-L22 HydrophobicContact CB-CD1 4.35Å; I20-L22 PolarHBondContact O-N 2.94Å; L22-R303 PolarHBondContact O-NH1 3.37Å; L22-R303 PolarHBondContact O-NH2 3.05Å; L22-Y306 HydrophobicContact CD2-CD1 4.42Å; L22-F355 HydrophobicContact CD2-CE1 3.41Å; L22-F355 VanDerWaalsContact CD2-CE1 3.41Å; L22-F355 HydrophobicContact CD2-CE2 4.48Å; L22-F355 HydrophobicContact CD2-CZ 3.31Å; L22-F355 HydrophobicContact CG-CZ 4.18Å |
| 23 | A | 34.8 | Very low | 35.7 | Very low | 34 Ų | 34 | 85.5 Ų | 85.5 | 28% | 0.281 | 46% | 0.462 | S | S | . | . | cis | -108.5 | 102.2 | 38.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S21 V25 F26 | S21-A23 CarbonylContact O-C 3.58Å; S21-A23 WeakPolarHBondContact O-CA 3.42Å; S21-A23 PolarHBondContact O-N 3.33Å; A23-V25 PolarHBondContact O-N 3.38Å; A23-F26 PolarHBondContact O-N 2.91Å | ||
| 24 | V | 39.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 93.3 Ų | 93.3 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 45.2 | 158 | -175 | 0 | 0 | 0 | 0 | 106.4 | S21 Y27 | S21-V24 WeakPolarHBondContact O-CG2 3.36Å; S21-V24 PolarHBondContact O-N 3.25Å; V24-Y27 VanDerWaalsContact C-CB 3.43Å; V24-Y27 HydrophobicContact CG1-CD2 3.7Å; V24-Y27 HydrophobicContact CG1-CE2 4.48Å; V24-Y27 HydrophobicContact CG1-CG 3.73Å; V24-Y27 WeakPolarHBondContact O-CB 3.37Å |
| 25 | V | 39.6 | Very low | 34.6 | Very low | 25 Ų | 25 | 98.9 Ų | 98.9 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -157.7 | 44 | -177.4 | -161.7 | 0 | 0 | 0 | 0 | 107.2 | A23 E388 | A23-V25 PolarHBondContact O-N 3.38Å; V25-E388 HydrophobicContact CB-CB 4.08Å; V25-E388 HydrophobicContact CB-CG 3.56Å; V25-E388 WeakPolarHBondContact CB-OE1 3.39Å; V25-E388 HydrophobicContact CG1-CB 3.43Å; V25-E388 VanDerWaalsContact CG1-CB 3.43Å; V25-E388 HydrophobicContact CG1-CG 3.44Å; V25-E388 VanDerWaalsContact CG1-CG 3.44Å; V25-E388 HydrophobicContact CG2-CG 3.85Å; V25-E388 VanDerWaalsContact CG2-OE1 3.31Å; V25-E388 WeakPolarHBondContact CG2-OE1 3.41Å |
| 26 | F | 37.1 | Very low | 34.1 | Very low | 95 Ų | 95 | 104 Ų | 104 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | S | Bend | -76.3 | -4.1 | 102.4 | -92.2 | -74.9 | 0 | 0 | 0 | 115.7 | A23 R28 G29 D221 K384 | A23-F26 PolarHBondContact O-N 2.91Å; F26-R28 PolarHBondContact O-N 3.43Å; F26-G29 PolarHBondContact O-N 2.99Å; F26-D221 HydrophobicContact CE2-CB 4.3Å; F26-D221 HydrophobicContact CZ-CB 4.42Å; F26-D221 VanDerWaalsContact CZ-O 3.25Å; F26-D221 WeakPolarHBondContact CZ-O 3.45Å; F26-K384 HydrophobicContact CE1-CD 4.43Å | |
| 27 | Y | 36.6 | Very low | 33.3 | Very low | 191 Ų | 191 | 109.1 Ų | 109.1 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 22.5 | -178 | -112.7 | -86.9 | 0 | 0 | 0 | 117.3 | V24 | V24-Y27 VanDerWaalsContact C-CB 3.43Å; V24-Y27 HydrophobicContact CG1-CD2 3.7Å; V24-Y27 HydrophobicContact CG1-CE2 4.48Å; V24-Y27 HydrophobicContact CG1-CG 3.73Å; V24-Y27 WeakPolarHBondContact O-CB 3.37Å |
| 28 | R | 33.9 | Very low | 32.5 | Very low | 156 Ų | 156 | 119 Ų | 119 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 29.3 | 153 | -86.1 | -161 | -178.6 | 164.2 | 4 | 114.6 | F26 L30 K391 | F26-R28 PolarHBondContact O-N 3.43Å; R28-L30 PolarHBondContact O-N 3.18Å; R28-K391 HydrophobicContact CB-CD 4.38Å |
| 29 | G | 29.7 | Very low | 31.7 | Very low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -68.1 | -4.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F26 | F26-G29 PolarHBondContact O-N 2.99Š|
| 30 | L | 32.5 | Very low | 31.2 | Very low | 162 Ų | 162 | 125 Ų | 125 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | trans | -136.5 | 66.3 | -173.3 | -86.9 | 147.6 | 0 | 0 | 0 | 113 | R28 | R28-L30 PolarHBondContact O-N 3.18Š| ||
| 31 | R | 31.1 | Very low | 30.4 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -132 | 70.4 | 148.7 | -95.9 | -162.6 | 179.2 | -179.3 | 2.8 | 111.7 | ||||
| 32 | S | 25.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -151.4 | 113.7 | 147.9 | -171.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 33 | K | 26.3 | Very low | 29.1 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | -147.3 | 134 | 63.8 | -76.9 | 168.4 | 173.8 | 172.6 | 0 | 111.5 | |||||
| 34 | R | 23.8 | Very low | 28.5 | Very low | 225 Ų | 225 | 148.2 Ų | 148.2 | 85% | 0.849 | 72% | 0.72 | S | S | * | * | trans | -82.1 | 132 | 151.4 | -111.8 | -178.2 | -176.1 | -174.2 | 2.6 | 108.1 | ||||
| 35 | R | 25.6 | Very low | 27.7 | Very low | 216 Ų | 216 | 154.9 Ų | 154.9 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | trans | 49.8 | 109.4 | 156.2 | -74.3 | -165.7 | -95.1 | -151.2 | -4.2 | 119.1 | ||||
| 36 | V | 23.8 | Very low | 27.1 | Very low | 153 Ų | 153 | 159.9 Ų | 159.9 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | -142.7 | 146.8 | 126.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 37 | S | 22.1 | Very low | 26.6 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -65 | 157.3 | -169.3 | -179.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 38 | W | 20.1 | Very low | 26.1 | Very low | 238 Ų | 238 | 160.9 Ų | 160.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -33 | 178.6 | 163.3 | -85.8 | 19.2 | 0 | 0 | 0 | 119.4 | ||||
| 39 | P | 30.2 | Very low | 26.7 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -139.5 | 168.7 | 5.3 | 25.5 | -1 | 0 | 0 | 0 | 118 | ||||
| 40 | G | 22.2 | Very low | 26.4 | Very low | 64 Ų | 64 | 159.5 Ų | 159.5 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | 115.5 | 129 | 124.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 41 | F | 23.9 | Very low | 26.3 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | 103.2 | 95 | 148.1 | -68.7 | -85.8 | 0 | 0 | 0 | 122.4 | ||||
| 42 | Y | 24.6 | Very low | 26 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 40.3 | 124.5 | 116.1 | -74.3 | -82.5 | 0 | 0 | 0 | 122.2 | |||||
| 43 | Q | 27.3 | Very low | 26.3 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | 162.7 | 114.9 | 105.6 | -104.5 | 155.4 | -15.6 | 0 | 0 | 111.1 | |||||
| 44 | N | 23.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 153 Ų | 153 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | 67.3 | 114.7 | 101 | -90 | -8.2 | 0 | 0 | 0 | 116.1 | |||||
| 45 | R | 23.2 | Very low | 26.7 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | 91.7 | 124.8 | 89 | -149.5 | -170.8 | -172.9 | -173.3 | 2.1 | 110 | |||||
| 46 | T | 25.9 | Very low | 26.8 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | -176 | 163.6 | 77.8 | 41 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 47 | N | 26.7 | Very low | 27 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -66 | 145.8 | -175.2 | -59.4 | -23.8 | 0 | 0 | 0 | 118.9 | ||||
| 48 | D | 26.1 | Very low | 27.5 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 28.5 | 171.4 | 118.4 | -131.8 | 22.8 | 0 | 0 | 0 | 122.9 | |||||
| 49 | P | 47.1 | Very low | 28.5 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -131.1 | 179.8 | -38.4 | 21.9 | 1.1 | 0 | 0 | 0 | 113.9 | ||||
| 50 | G | 23.9 | Very low | 29.3 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -171.1 | 121.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 51 | S | 29 | Very low | 30.3 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -66 | 156.3 | -176.5 | -60.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 52 | G | 25.2 | Very low | 31.8 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -174.3 | 105.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 53 | L | 31.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -92.6 | 132.2 | 177.5 | -175.8 | 88.3 | 0 | 0 | 0 | 109.8 | ||||
| 54 | L | 28.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -158.2 | 137.8 | 145.3 | -96.8 | -179.9 | 0 | 0 | 0 | 110.8 | ||||
| 55 | L | 31.1 | Very low | 36 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -81.1 | 169.9 | -174.7 | -111.4 | 94 | 0 | 0 | 0 | 113.5 | ||||
| 56 | V | 28.3 | Very low | 37.7 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | 89.3 | 114.2 | 167.7 | -165.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 57 | D | 26.2 | Very low | 39.3 | Very low | 156 Ų | 156 | 115.4 Ų | 115.4 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | cis | -150.7 | 160 | 46.6 | -122.4 | -30.5 | 0 | 0 | 0 | 111.8 | ||||
| 58 | G | 33.7 | Very low | 41.2 | Very low | 66 Ų | 66 | 111.9 Ų | 111.9 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | trans | -54.8 | 138 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | V60 | G58-V60 PolarHBondContact O-N 2.99Š| ||
| 59 | P | 40.5 | Very low | 43.1 | Very low | 101 Ų | 101 | 109.4 Ų | 109.4 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | trans | -82.3 | 114.2 | -179.8 | 30.9 | -28 | 0 | 0 | 0 | 109.3 | L61 | P59-L61 VanDerWaalsContact C-N 3.25Å; P59-L61 HydrophobicContact CG-CD1 4.43Å; P59-L61 PolarHBondContact O-N 2.86Å | ||
| 60 | V | 46.6 | Very low | 44 | Very low | 141 Ų | 141 | 110.4 Ų | 110.4 | 86% | 0.855 | 66% | 0.658 | S | S | * | * | trans | -52.5 | 104.8 | 140.7 | 174.1 | 0 | 0 | 0 | 0 | 104.9 | G58 | G58-V60 PolarHBondContact O-N 2.99Š| ||
| 61 | L | 45.2 | Very low | 45.9 | Very low | 59 Ų | 59 | 109.6 Ų | 109.6 | 31% | 0.309 | 63% | 0.63 | S | S | . | * | trans | -54.4 | 131 | -179.8 | -107 | 77.4 | 0 | 0 | 0 | 107.6 | P59 R63 Q65 T66 L69 | P59-L61 VanDerWaalsContact C-N 3.25Å; P59-L61 HydrophobicContact CG-CD1 4.43Å; P59-L61 PolarHBondContact O-N 2.86Å; L61-R63 PolarHBondContact O-N 3.34Å; L61-Q65 HydrophobicContact CB-CB 4.32Å; L61-Q65 HydrophobicContact CD2-CB 3.58Å; L61-Q65 HydrophobicContact CG-CB 3.96Å; L61-T66 HydrophobicContact CB-CG2 3.84Å; L61-T66 HydrophobicContact CD2-CG2 4.1Å; L61-L69 HydrophobicContact CD2-CD1 3.6Å | ||
| 62 | P | 53.6 | Low | 47.7 | Very low | 79 Ų | 79 | 107.3 Ų | 107.3 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | trans | -51.5 | 133.7 | 170.5 | -20.3 | 29.7 | 0 | 0 | 0 | 107.6 | G64 Q65 | P62-G64 CarbonylContact O-C 3.48Å; P62-G64 PolarHBondContact O-N 2.83Å; P62-Q65 HydrophobicContact CG-CG 4.43Å; P62-Q65 PolarHBondContact O-N 3.36Å | ||
| 63 | R | 52.6 | Low | 49.8 | Very low | 226 Ų | 226 | 110.2 Ų | 110.2 | 85% | 0.853 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -45.1 | -28.7 | -175.9 | -166 | 179.8 | -171.7 | -175.6 | 2.6 | 114.4 | L61 T66 E67 | L61-R63 PolarHBondContact O-N 3.34Å; R63-T66 PolarHBondContact O-OG1 3Å; R63-E67 PolarHBondContact O-N 3.01Å |
| 64 | G | 53.6 | Low | 51.5 | Low | 40 Ų | 40 | 103.5 Ų | 103.5 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.2 | -29.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P62 V68 | P62-G64 CarbonylContact O-C 3.48Å; P62-G64 PolarHBondContact O-N 2.83Å; G64-V68 WeakPolarHBondContact O-CG2 3.32Å; G64-V68 PolarHBondContact O-N 3.27Å |
| 65 | Q | 56.9 | Low | 53.4 | Low | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.2 | -37.8 | 175.1 | -71.5 | -169.5 | -16.9 | 0 | 0 | 112.2 | L61 P62 E67 V68 L69 | L61-Q65 HydrophobicContact CB-CB 4.32Å; L61-Q65 HydrophobicContact CD2-CB 3.58Å; L61-Q65 HydrophobicContact CG-CB 3.96Å; P62-Q65 HydrophobicContact CG-CG 4.43Å; P62-Q65 PolarHBondContact O-N 3.36Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-V68 PolarHBondContact O-N 3.04Å; Q65-L69 WeakPolarHBondContact O-CG 3.46Å; Q65-L69 PolarHBondContact O-N 2.78Å |
| 66 | T | 60.6 | Low | 55.3 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 37% | 0.368 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 172.3 | 38.1 | 0 | 0 | 0 | 0 | 111.2 | L61 R63 V68 L69 E70 | L61-T66 HydrophobicContact CB-CG2 3.84Å; L61-T66 HydrophobicContact CD2-CG2 4.1Å; R63-T66 PolarHBondContact O-OG1 3Å; T66-V68 VanDerWaalsContact C-N 3.34Å; T66-V68 PolarHBondContact O-N 2.97Å; T66-L69 PolarHBondContact O-N 3.01Å; T66-E70 PolarHBondContact O-N 3.5Å |
| 67 | E | 58.7 | Low | 57.3 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 176 | -173.1 | 174.2 | -172.1 | 0 | 0 | 112.3 | R63 Q65 L69 R71 Q271 | R63-E67 PolarHBondContact O-N 3.01Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.38Å; E67-R71 VanDerWaalsContact O-CG 3.27Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 VanDerWaalsContact O-N 3.15Å; E67-R71 IonicContact OE1-CZ 2.74Å; E67-R71 IonicContact OE1-NE 3.86Å; E67-R71 IonicContact OE1-NH2 3.94Å; E67-R71 PolarHBondContact OE1-NH2 2.93Å; E67-R71 IonicContact OE2-NH2 2.7Å; E67-Q271 PolarHBondContact OE1-NE2 2.91Å; E67-Q271 PolarHBondContact OE1-OE1 3.43Å |
| 68 | V | 67.3 | Low | 59.3 | Low | 83 Ų | 83 | 88.8 Ų | 88.8 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | G64 Q65 T66 R71 L72 | G64-V68 WeakPolarHBondContact O-CG2 3.32Å; G64-V68 PolarHBondContact O-N 3.27Å; Q65-V68 PolarHBondContact O-N 3.04Å; T66-V68 VanDerWaalsContact C-N 3.34Å; T66-V68 PolarHBondContact O-N 2.97Å; V68-R71 PolarHBondContact O-N 3.28Å; V68-L72 HydrophobicContact CG1-CD1 4.06Å; V68-L72 WeakPolarHBondContact O-CG 3.3Å; V68-L72 PolarHBondContact O-N 3.36Å |
| 69 | L | 64.9 | Low | 61.2 | Low | 98 Ų | 98 | 90.3 Ų | 90.3 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 178.1 | -72.8 | 169.8 | 0 | 0 | 0 | 112 | L61 Q65 T66 E67 R71 L72 E73 | L61-L69 HydrophobicContact CD2-CD1 3.6Å; Q65-L69 WeakPolarHBondContact O-CG 3.46Å; Q65-L69 PolarHBondContact O-N 2.78Å; T66-L69 PolarHBondContact O-N 3.01Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.38Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 3.26Å; L69-L72 PolarHBondContact O-N 3Å; L69-L72 VanDerWaalsContact O-N 3.16Å; L69-E73 PolarHBondContact O-N 2.88Å |
| 70 | E | 65.7 | Low | 62.8 | Low | 134 Ų | 134 | 88 Ų | 88 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.5 | -39.2 | 175.8 | -74.5 | 178.6 | 170.6 | 0 | 0 | 111.6 | T66 E73 A74 | T66-E70 PolarHBondContact O-N 3.5Å; E70-E73 PolarHBondContact O-N 3.32Å; E70-A74 WeakPolarHBondContact O-CB 3.13Å; E70-A74 PolarHBondContact O-N 3.12Å |
| 71 | R | 64.9 | Low | 64.1 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 176.6 | -67.8 | -174.7 | -159.8 | -175.5 | 18.5 | 113.6 | E67 V68 L69 E73 A74 L75 Q271 L322 | E67-R71 VanDerWaalsContact O-CG 3.27Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 VanDerWaalsContact O-N 3.15Å; E67-R71 IonicContact OE1-CZ 2.74Å; E67-R71 IonicContact OE1-NE 3.86Å; E67-R71 IonicContact OE1-NH2 3.94Å; E67-R71 PolarHBondContact OE1-NH2 2.93Å; E67-R71 IonicContact OE2-NH2 2.7Å; V68-R71 PolarHBondContact O-N 3.28Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 3.26Å; R71-E73 VanDerWaalsContact C-N 3.31Å; R71-A74 PolarHBondContact O-N 2.87Å; R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 WeakPolarHBondContact O-CG 2.82Å; R71-L75 PolarHBondContact O-N 3.28Å; R71-Q271 VanDerWaalsContact NH1-CB 3.3Å; R71-Q271 VanDerWaalsContact NH2-NE2 3.2Å; R71-L322 HydrophobicContact CB-CD2 4.01Å; R71-L322 HydrophobicContact CG-CD2 3.98Å |
| 72 | L | 66.8 | Low | 65.5 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.9 | -81.8 | 165 | 0 | 0 | 0 | 110.6 | V68 L69 L75 I76 | V68-L72 HydrophobicContact CG1-CD1 4.06Å; V68-L72 WeakPolarHBondContact O-CG 3.3Å; V68-L72 PolarHBondContact O-N 3.36Å; L69-L72 PolarHBondContact O-N 3Å; L69-L72 VanDerWaalsContact O-N 3.16Å; L72-L75 PolarHBondContact O-N 2.95Å; L72-I76 WeakPolarHBondContact O-CD1 3.25Å; L72-I76 VanDerWaalsContact O-CG1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.27Å |
| 73 | E | 69.4 | Low | 66.8 | Low | 143 Ų | 143 | 85.9 Ų | 85.9 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 175.4 | -171.8 | 166.6 | -162.4 | 0 | 0 | 111.8 | L69 E70 R71 L75 I76 Q77 | L69-E73 PolarHBondContact O-N 2.88Å; E70-E73 PolarHBondContact O-N 3.32Å; R71-E73 VanDerWaalsContact C-N 3.31Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.37Å; E73-I76 WeakPolarHBondContact O-CB 3.48Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-Q77 PolarHBondContact O-N 2.9Å |
| 74 | A | 65.8 | Low | 68.3 | Low | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E70 R71 Q77 C78 T321 L322 | E70-A74 WeakPolarHBondContact O-CB 3.13Å; E70-A74 PolarHBondContact O-N 3.12Å; R71-A74 PolarHBondContact O-N 2.87Å; A74-Q77 PolarHBondContact O-N 3.46Å; A74-C78 PolarHBondContact O-N 3.45Å; A74-C78 PolarHBondContact O-SG 3.46Å; A74-T321 HydrophobicContact CB-CG2 3.89Å; A74-L322 HydrophobicContact CB-CD2 3.39Å; A74-L322 HydrophobicContact CB-CG 4.33Å |
| 75 | L | 68.3 | Low | 69.7 | Low | 71 Ų | 71 | 82 Ų | 82 | 37% | 0.372 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 174 | -78.3 | 171.8 | 0 | 0 | 0 | 112.1 | R71 L72 E73 Q77 C78 V79 V318 L322 | R71-L75 WeakPolarHBondContact O-CB 3.45Å; R71-L75 WeakPolarHBondContact O-CG 2.82Å; R71-L75 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 2.95Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.37Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.37Å; L75-C78 PolarHBondContact O-N 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.42Å; L75-V318 HydrophobicContact CD2-CG1 3.73Å; L75-V318 HydrophobicContact CD2-CG2 4.25Å; L75-L322 HydrophobicContact CD2-CD1 4.43Å |
| 76 | I | 71.1 | Confident | 70.7 | Confident | 111 Ų | 111 | 83.5 Ų | 83.5 | 57% | 0.569 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | 175.3 | -70.9 | 164.3 | 0 | 0 | 0 | 110.4 | L72 E73 V79 S80 | L72-I76 WeakPolarHBondContact O-CD1 3.25Å; L72-I76 VanDerWaalsContact O-CG1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.27Å; E73-I76 WeakPolarHBondContact O-CB 3.48Å; E73-I76 PolarHBondContact O-N 3.39Å; I76-V79 PolarHBondContact O-N 2.94Å; I76-S80 WeakPolarHBondContact O-CB 3.25Å; I76-S80 PolarHBondContact O-N 3.17Å; I76-S80 PolarHBondContact O-OG 2.64Å |
| 77 | Q | 72.1 | Confident | 71.8 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.5 | -169.6 | 59.6 | 48.5 | 0 | 0 | 111.5 | E73 A74 L75 V79 S80 D81 | E73-Q77 PolarHBondContact O-N 2.9Å; A74-Q77 PolarHBondContact O-N 3.46Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.37Å; Q77-V79 VanDerWaalsContact C-N 3.35Å; Q77-V79 PolarHBondContact O-N 3.14Å; Q77-S80 WeakPolarHBondContact O-CB 3.48Å; Q77-S80 PolarHBondContact O-N 2.84Å; Q77-S80 VanDerWaalsContact O-N 3.08Å; Q77-D81 PolarHBondContact NE2-OD1 2.83Å; Q77-D81 VanDerWaalsContact O-CG 3.32Å; Q77-D81 PolarHBondContact O-N 3.24Å |
| 78 | C | 66.9 | Low | 73 | Confident | 7 Ų | 7 | 84.4 Ų | 84.4 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | A74 L75 S80 D81 L82 V318 T321 | A74-C78 PolarHBondContact O-N 3.45Å; A74-C78 PolarHBondContact O-SG 3.46Å; L75-C78 PolarHBondContact O-N 3.22Å; C78-S80 VanDerWaalsContact C-N 3.28Å; C78-S80 PolarHBondContact O-N 2.88Å; C78-D81 PolarHBondContact O-N 2.96Å; C78-L82 WeakPolarHBondContact O-CB 3.44Å; C78-L82 PolarHBondContact O-N 2.9Å; C78-V318 HydrophobicContact CB-CG2 4.17Å; C78-T321 VanDerWaalsContact SG-CB 3.5Å; C78-T321 PolarHBondContact SG-OG1 2.95Å |
| 79 | V | 73.8 | Confident | 73.7 | Confident | 98 Ų | 98 | 85.6 Ų | 85.6 | 59% | 0.594 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L75 I76 Q77 K83 | L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.42Å; I76-V79 PolarHBondContact O-N 2.94Å; Q77-V79 VanDerWaalsContact C-N 3.35Å; Q77-V79 PolarHBondContact O-N 3.14Å; V79-K83 WeakPolarHBondContact O-CB 3.42Å; V79-K83 PolarHBondContact O-N 2.67Å |
| 80 | S | 74.3 | Confident | 74.8 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | I76 Q77 C78 L82 K83 E84 | I76-S80 WeakPolarHBondContact O-CB 3.25Å; I76-S80 PolarHBondContact O-N 3.17Å; I76-S80 PolarHBondContact O-OG 2.64Å; Q77-S80 WeakPolarHBondContact O-CB 3.48Å; Q77-S80 PolarHBondContact O-N 2.84Å; Q77-S80 VanDerWaalsContact O-N 3.08Å; C78-S80 VanDerWaalsContact C-N 3.28Å; C78-S80 PolarHBondContact O-N 2.88Å; S80-L82 PolarHBondContact O-N 3.08Å; S80-K83 WeakPolarHBondContact O-CB 3.33Å; S80-K83 PolarHBondContact O-N 2.69Å; S80-E84 PolarHBondContact O-N 2.9Å; S80-E84 VanDerWaalsContact O-N 3.07Å |
| 81 | D | 74.3 | Confident | 75.8 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 177.7 | -59.6 | -17.5 | 0 | 0 | 0 | 111.6 | Q77 C78 K83 E84 E85 K317 | Q77-D81 PolarHBondContact NE2-OD1 2.83Å; Q77-D81 VanDerWaalsContact O-CG 3.32Å; Q77-D81 PolarHBondContact O-N 3.24Å; C78-D81 PolarHBondContact O-N 2.96Å; D81-K83 VanDerWaalsContact C-N 3.26Å; D81-K83 PolarHBondContact O-N 3.18Å; D81-E84 PolarHBondContact O-N 3.07Å; D81-E84 VanDerWaalsContact O-N 3.14Å; D81-E85 PolarHBondContact O-N 3.41Å; D81-K317 IonicContact OD2-NZ 2.64Å |
| 82 | L | 73.4 | Confident | 76.6 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 30% | 0.298 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 174.3 | 170 | 54.1 | 0 | 0 | 0 | 111.5 | C78 S80 E84 E85 M86 W313 I314 | C78-L82 WeakPolarHBondContact O-CB 3.44Å; C78-L82 PolarHBondContact O-N 2.9Å; S80-L82 PolarHBondContact O-N 3.08Å; L82-E84 VanDerWaalsContact C-N 3.34Å; L82-E85 PolarHBondContact O-N 3.47Å; L82-M86 VanDerWaalsContact O-CB 3.31Å; L82-M86 WeakPolarHBondContact O-CB 3.42Å; L82-M86 PolarHBondContact O-N 3.37Å; L82-W313 HydrophobicContact CB-CH2 4.13Å; L82-W313 HydrophobicContact CB-CZ3 4.24Å; L82-W313 HydrophobicContact CD1-CE3 4.39Å; L82-W313 HydrophobicContact CD1-CH2 3.74Å; L82-W313 HydrophobicContact CD1-CZ3 3.32Å; L82-W313 HydrophobicContact CD2-CZ3 4.35Å; L82-W313 HydrophobicContact CG-CH2 4.44Å; L82-W313 HydrophobicContact CG-CZ3 4.13Å; L82-I314 HydrophobicContact CD2-CD1 3.91Å; L82-I314 HydrophobicContact CD2-CG1 4.21Å |
| 83 | K | 81.2 | Confident | 77.4 | Confident | 126 Ų | 126 | 87.4 Ų | 87.4 | 55% | 0.548 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.2 | 179.9 | -174.9 | 178.1 | -175.4 | 0 | 111.6 | V79 S80 D81 K87 | V79-K83 WeakPolarHBondContact O-CB 3.42Å; V79-K83 PolarHBondContact O-N 2.67Å; S80-K83 WeakPolarHBondContact O-CB 3.33Å; S80-K83 PolarHBondContact O-N 2.69Å; D81-K83 VanDerWaalsContact C-N 3.26Å; D81-K83 PolarHBondContact O-N 3.18Å; K83-K87 WeakPolarHBondContact O-CG 3.44Å; K83-K87 PolarHBondContact O-N 2.88Å; K83-K87 VanDerWaalsContact O-N 3.08Å |
| 84 | E | 85.3 | Confident | 78.2 | Confident | 101 Ų | 101 | 84.9 Ų | 84.9 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 177.2 | -64.5 | -48.4 | 131.7 | 0 | 0 | 112.3 | S80 D81 L82 M86 K87 A88 | S80-E84 PolarHBondContact O-N 2.9Å; S80-E84 VanDerWaalsContact O-N 3.07Å; D81-E84 PolarHBondContact O-N 3.07Å; D81-E84 VanDerWaalsContact O-N 3.14Å; L82-E84 VanDerWaalsContact C-N 3.34Å; E84-M86 VanDerWaalsContact C-N 3.35Å; E84-M86 PolarHBondContact O-N 2.95Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3Å; E84-K87 IonicContact OE1-NZ 2.81Å; E84-K87 PolarHBondContact OE1-NZ 3.46Å; E84-K87 WeakPolarHBondContact OE2-CD 3.07Å; E84-K87 IonicContact OE2-NZ 2.67Å; E84-K87 PolarHBondContact OE2-NZ 3.15Å; E84-A88 PolarHBondContact O-N 3.08Å |
| 85 | E | 82.4 | Confident | 78.8 | Confident | 85 Ų | 85 | 86.1 Ų | 86.1 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.1 | -72.4 | -177.2 | -155.2 | 0 | 0 | 112.3 | D81 L82 K87 A88 L89 W313 K317 | D81-E85 PolarHBondContact O-N 3.41Å; L82-E85 PolarHBondContact O-N 3.47Å; E85-K87 VanDerWaalsContact C-N 3.29Å; E85-K87 PolarHBondContact O-N 2.98Å; E85-A88 PolarHBondContact O-N 3.01Å; E85-L89 WeakPolarHBondContact O-CB 3.42Å; E85-L89 PolarHBondContact O-N 3.36Å; E85-W313 VanDerWaalsContact CD-CZ2 3.46Å; E85-W313 WeakPolarHBondContact OE1-CZ2 3.44Å; E85-W313 VanDerWaalsContact OE2-CH2 3.25Å; E85-W313 WeakPolarHBondContact OE2-CH2 3.48Å; E85-W313 WeakPolarHBondContact OE2-CZ2 3.28Å; E85-K317 IonicContact OE1-NZ 2.73Å; E85-K317 PolarHBondContact OE1-NZ 3.48Å |
| 86 | M | 77.4 | Confident | 79.2 | Confident | 137 Ų | 137 | 87.1 Ų | 87.1 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -36.8 | 175.1 | -169.8 | -173.9 | -172.6 | 0 | 0 | 111.5 | L82 E84 K90 | L82-M86 VanDerWaalsContact O-CB 3.31Å; L82-M86 WeakPolarHBondContact O-CB 3.42Å; L82-M86 PolarHBondContact O-N 3.37Å; E84-M86 VanDerWaalsContact C-N 3.35Å; E84-M86 PolarHBondContact O-N 2.95Å; M86-K90 VanDerWaalsContact O-CB 3.25Å; M86-K90 WeakPolarHBondContact O-CB 3.36Å; M86-K90 PolarHBondContact O-N 3.44Å |
| 87 | K | 83.7 | Confident | 79.6 | Confident | 95 Ų | 95 | 85.8 Ų | 85.8 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 172.6 | -73.1 | 172.1 | -174 | 171 | 0 | 111.3 | K83 E84 E85 L89 K90 T91 | K83-K87 WeakPolarHBondContact O-CG 3.44Å; K83-K87 PolarHBondContact O-N 2.88Å; K83-K87 VanDerWaalsContact O-N 3.08Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3Å; E84-K87 IonicContact OE1-NZ 2.81Å; E84-K87 PolarHBondContact OE1-NZ 3.46Å; E84-K87 WeakPolarHBondContact OE2-CD 3.07Å; E84-K87 IonicContact OE2-NZ 2.67Å; E84-K87 PolarHBondContact OE2-NZ 3.15Å; E85-K87 VanDerWaalsContact C-N 3.29Å; E85-K87 PolarHBondContact O-N 2.98Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L89 PolarHBondContact O-N 3.47Å; K87-K90 WeakPolarHBondContact O-CB 3.31Å; K87-K90 PolarHBondContact O-N 2.81Å; K87-K90 VanDerWaalsContact O-N 3.17Å; K87-T91 WeakPolarHBondContact O-CG2 3.27Å; K87-T91 PolarHBondContact O-N 3.18Å; K87-T91 PolarHBondContact O-OG1 2.7Å |
| 88 | A | 83.9 | Confident | 79.8 | Confident | 54 Ų | 54 | 86 Ų | 86 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E84 E85 T91 A92 | E84-A88 PolarHBondContact O-N 3.08Å; E85-A88 PolarHBondContact O-N 3.01Å; A88-T91 WeakPolarHBondContact CA-OG1 3.42Å; A88-T91 PolarHBondContact O-N 3.26Å; A88-T91 PolarHBondContact O-OG1 3.28Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.03Å |
| 89 | L | 82.4 | Confident | 80.1 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 174.4 | -170.9 | 68.7 | 0 | 0 | 0 | 111.3 | E85 K87 T91 A92 L93 | E85-L89 WeakPolarHBondContact O-CB 3.42Å; E85-L89 PolarHBondContact O-N 3.36Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L89 PolarHBondContact O-N 3.47Å; L89-T91 VanDerWaalsContact C-N 3.29Å; L89-T91 PolarHBondContact O-N 3.05Å; L89-A92 PolarHBondContact O-N 3.47Å; L89-L93 HydrophobicContact CD1-CD1 4.09Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 PolarHBondContact O-N 3.39Å |
| 90 | K | 88.1 | Confident | 80.1 | Confident | 163 Ų | 163 | 90.8 Ų | 90.8 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -31.3 | 177.4 | -174.2 | 176.6 | -179.1 | 178.8 | 0 | 112.8 | M86 K87 P94 | M86-K90 VanDerWaalsContact O-CB 3.25Å; M86-K90 WeakPolarHBondContact O-CB 3.36Å; M86-K90 PolarHBondContact O-N 3.44Å; K87-K90 WeakPolarHBondContact O-CB 3.31Å; K87-K90 PolarHBondContact O-N 2.81Å; K87-K90 VanDerWaalsContact O-N 3.17Å; K90-P94 WeakPolarHBondContact O-CD 3.4Å |
| 91 | T | 87.1 | Confident | 80.1 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -81.6 | -31.4 | 174.8 | 55 | 0 | 0 | 0 | 0 | 112.6 | K87 A88 L89 | K87-T91 WeakPolarHBondContact O-CG2 3.27Å; K87-T91 PolarHBondContact O-N 3.18Å; K87-T91 PolarHBondContact O-OG1 2.7Å; A88-T91 WeakPolarHBondContact CA-OG1 3.42Å; A88-T91 PolarHBondContact O-N 3.26Å; A88-T91 PolarHBondContact O-OG1 3.28Å; L89-T91 VanDerWaalsContact C-N 3.29Å; L89-T91 PolarHBondContact O-N 3.05Å |
| 92 | A | 80.9 | Confident | 80.1 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79 | -34 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A88 L89 A95 L96 | A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.03Å; L89-A92 PolarHBondContact O-N 3.47Å; A92-A95 PolarHBondContact O-N 2.9Å; A92-L96 PolarHBondContact O-N 2.81Å |
| 93 | L | 82.7 | Confident | 79.9 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -44.6 | -178.1 | -128.3 | 103.7 | 0 | 0 | 0 | 114.1 | L89 A95 | L89-L93 HydrophobicContact CD1-CD1 4.09Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 PolarHBondContact O-N 3.39Å; L93-A95 PolarHBondContact O-N 3.44Å |
| 94 | P | 86.8 | Confident | 79 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.8 | 177.3 | -21.7 | 34.5 | 0 | 0 | 0 | 114.3 | K90 P97 | K90-P94 WeakPolarHBondContact O-CD 3.4Å; P94-P97 WeakPolarHBondContact O-CD 3.26Å |
| 95 | A | 79.5 | Confident | 78 | Confident | 44 Ų | 44 | 102.1 Ų | 102.1 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -20.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A92 L93 P97 D98 Q99 | A92-A95 PolarHBondContact O-N 2.9Å; L93-A95 PolarHBondContact O-N 3.44Å; A95-P97 VanDerWaalsContact C-CD 3.48Å; A95-D98 PolarHBondContact O-N 3.16Å; A95-Q99 PolarHBondContact O-N 2.75Å; A95-Q99 VanDerWaalsContact O-N 3.12Å |
| 96 | L | 76.1 | Confident | 76.9 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -55.4 | -42.7 | 178.9 | -87.8 | 161.4 | 0 | 0 | 0 | 114.6 | A92 D98 Q99 V100 | A92-L96 PolarHBondContact O-N 2.81Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 3.29Å; L96-Q99 PolarHBondContact O-N 2.83Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.49Å |
| 97 | P | 79.3 | Confident | 75.7 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 178.9 | -22.3 | 33.4 | 0 | 0 | 0 | 113.4 | P94 A95 R101 | P94-P97 WeakPolarHBondContact O-CD 3.26Å; A95-P97 VanDerWaalsContact C-CD 3.48Å; P97-R101 VanDerWaalsContact O-CB 3.3Å; P97-R101 WeakPolarHBondContact O-CB 3.48Å; P97-R101 PolarHBondContact O-N 3.35Å |
| 98 | D | 77.3 | Confident | 74 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 57% | 0.572 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.3 | -36.6 | 178.7 | -70.2 | -32.5 | 0 | 0 | 0 | 111.1 | A95 L96 R101 E102 | A95-D98 PolarHBondContact O-N 3.16Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 3.29Å; D98-R101 WeakPolarHBondContact O-CB 3.42Å; D98-R101 PolarHBondContact O-N 3.26Å; D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.12Å |
| 99 | Q | 71.8 | Confident | 72.4 | Confident | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 176.3 | -131.8 | 157.5 | -2.7 | 0 | 0 | 112.2 | A95 L96 R101 E102 E103 | A95-Q99 PolarHBondContact O-N 2.75Å; A95-Q99 VanDerWaalsContact O-N 3.12Å; L96-Q99 PolarHBondContact O-N 2.83Å; Q99-R101 VanDerWaalsContact C-N 3.29Å; Q99-R101 PolarHBondContact O-N 3.32Å; Q99-E102 PolarHBondContact O-N 3.34Å; Q99-E103 PolarHBondContact O-N 2.89Å |
| 100 | V | 73.8 | Confident | 70.9 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L96 L104 | L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.49Å; V100-L104 HydrophobicContact CG1-CD1 3.86Å; V100-L104 WeakPolarHBondContact O-CB 3.41Å; V100-L104 WeakPolarHBondContact O-CD1 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.45Å; V100-L104 PolarHBondContact O-N 3.27Å |
| 101 | R | 74.8 | Confident | 69.1 | Low | 157 Ų | 157 | 103.3 Ų | 103.3 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 177.6 | -173.3 | 179 | -130.7 | -133.9 | 0.5 | 112.7 | P97 D98 Q99 K105 | P97-R101 VanDerWaalsContact O-CB 3.3Å; P97-R101 WeakPolarHBondContact O-CB 3.48Å; P97-R101 PolarHBondContact O-N 3.35Å; D98-R101 WeakPolarHBondContact O-CB 3.42Å; D98-R101 PolarHBondContact O-N 3.26Å; Q99-R101 VanDerWaalsContact C-N 3.29Å; Q99-R101 PolarHBondContact O-N 3.32Å; R101-K105 WeakPolarHBondContact O-CG 3.29Å; R101-K105 PolarHBondContact O-N 3.5Å |
| 102 | E | 73.9 | Confident | 67.2 | Low | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.5 | -36.5 | 177.3 | -70.7 | -56.8 | 128.3 | 0 | 0 | 112 | D98 Q99 K105 G106 | D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.12Å; Q99-E102 PolarHBondContact O-N 3.34Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 IonicContact OE1-NZ 2.78Å; E102-K105 PolarHBondContact OE1-NZ 3.34Å; E102-G106 PolarHBondContact O-N 3.33Å |
| 103 | E | 69.5 | Low | 65.6 | Low | 148 Ų | 148 | 110.8 Ų | 110.8 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 170.9 | -77.5 | -160.8 | 163.2 | 0 | 0 | 112.6 | Q99 K105 G106 H107 | Q99-E103 PolarHBondContact O-N 2.89Å; E103-K105 PolarHBondContact O-N 3.03Å; E103-G106 PolarHBondContact O-N 2.98Å; E103-H107 WeakPolarHBondContact O-CB 3.43Å; E103-H107 PolarHBondContact O-N 2.84Å |
| 104 | L | 62.2 | Low | 63.6 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -37.4 | 174.9 | -83.1 | 161.6 | 0 | 0 | 0 | 112.4 | V100 S108 | V100-L104 HydrophobicContact CG1-CD1 3.86Å; V100-L104 WeakPolarHBondContact O-CB 3.41Å; V100-L104 WeakPolarHBondContact O-CD1 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.45Å; V100-L104 PolarHBondContact O-N 3.27Å; L104-S108 PolarHBondContact O-N 3.13Å |
| 105 | K | 65.3 | Low | 61.6 | Low | 91 Ų | 91 | 108.5 Ų | 108.5 | 40% | 0.396 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.1 | -46.5 | 172.9 | -81.4 | 179 | -174.3 | 167.5 | 0 | 111.8 | R101 E102 E103 H107 S108 E109 | R101-K105 WeakPolarHBondContact O-CG 3.29Å; R101-K105 PolarHBondContact O-N 3.5Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 IonicContact OE1-NZ 2.78Å; E102-K105 PolarHBondContact OE1-NZ 3.34Å; E103-K105 PolarHBondContact O-N 3.03Å; K105-H107 VanDerWaalsContact C-N 3.29Å; K105-H107 PolarHBondContact O-N 3.17Å; K105-S108 WeakPolarHBondContact O-CA 3.4Å; K105-S108 WeakPolarHBondContact O-CB 3.36Å; K105-S108 PolarHBondContact O-N 3.12Å; K105-S108 PolarHBondContact O-OG 3.07Å; K105-E109 PolarHBondContact O-N 3.48Å |
| 106 | G | 57.7 | Low | 59.9 | Low | 37 Ų | 37 | 114.1 Ų | 114.1 | 38% | 0.381 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.9 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E102 E103 E109 A110 | E102-G106 PolarHBondContact O-N 3.33Å; E103-G106 PolarHBondContact O-N 2.98Å; G106-E109 PolarHBondContact O-N 2.61Å; G106-A110 WeakPolarHBondContact O-CB 3.05Å; G106-A110 PolarHBondContact O-N 3.43Å |
| 107 | H | 54.1 | Low | 58.4 | Low | 152 Ų | 152 | 117.7 Ų | 117.7 | 70% | 0.704 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.8 | -33.4 | 172.2 | -113.2 | 68.6 | 0 | 0 | 0 | 113 | E103 K105 R111 | E103-H107 WeakPolarHBondContact O-CB 3.43Å; E103-H107 PolarHBondContact O-N 2.84Å; K105-H107 VanDerWaalsContact C-N 3.29Å; K105-H107 PolarHBondContact O-N 3.17Å; H107-R111 WeakPolarHBondContact O-CB 3.15Å; H107-R111 PolarHBondContact O-N 3.01Å |
| 108 | S | 46.3 | Very low | 56.4 | Low | 66 Ų | 66 | 125.7 Ų | 125.7 | 46% | 0.462 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.4 | -34.2 | 176.1 | 89.5 | 0 | 0 | 0 | 0 | 112.8 | L104 K105 R112 | L104-S108 PolarHBondContact O-N 3.13Å; K105-S108 WeakPolarHBondContact O-CA 3.4Å; K105-S108 WeakPolarHBondContact O-CB 3.36Å; K105-S108 PolarHBondContact O-N 3.12Å; K105-S108 PolarHBondContact O-OG 3.07Å; S108-R112 PolarHBondContact O-N 3.23Å |
| 109 | E | 51.4 | Low | 54.4 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.7 | -40.3 | 177.4 | -69.9 | -172.8 | 167.8 | 0 | 0 | 111.7 | K105 G106 R111 R112 V113 | K105-E109 PolarHBondContact O-N 3.48Å; G106-E109 PolarHBondContact O-N 2.61Å; E109-R111 PolarHBondContact O-N 3.12Å; E109-R112 PolarHBondContact O-N 3.49Å; E109-V113 WeakPolarHBondContact O-CG2 3.25Å; E109-V113 PolarHBondContact O-N 2.88Å |
| 110 | A | 50.3 | Low | 52.3 | Low | 65 Ų | 65 | 125.8 Ų | 125.8 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -60.1 | -34.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G106 V113 G114 | G106-A110 WeakPolarHBondContact O-CB 3.05Å; G106-A110 PolarHBondContact O-N 3.43Å; A110-V113 PolarHBondContact O-N 2.99Å; A110-G114 PolarHBondContact O-N 3.41Å |
| 111 | R | 50 | Low | 50.3 | Low | 216 Ų | 216 | 126.2 Ų | 126.2 | 82% | 0.815 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73 | -25.3 | 175.6 | -140.8 | 175.1 | -170.4 | 176.4 | 3.1 | 113.3 | H107 E109 | H107-R111 WeakPolarHBondContact O-CB 3.15Å; H107-R111 PolarHBondContact O-N 3.01Å; E109-R111 PolarHBondContact O-N 3.12Å |
| 112 | R | 48.2 | Very low | 48.3 | Very low | 202 Ų | 202 | 125.5 Ų | 125.5 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.5 | -35.1 | 172.2 | -83.1 | -176.4 | 178.5 | 174 | 0.9 | 112.6 | S108 E109 | S108-R112 PolarHBondContact O-N 3.23Å; E109-R112 PolarHBondContact O-N 3.49Å |
| 113 | V | 47.2 | Very low | 46.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -77.6 | -31 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | E109 A110 A115 | E109-V113 WeakPolarHBondContact O-CG2 3.25Å; E109-V113 PolarHBondContact O-N 2.88Å; A110-V113 PolarHBondContact O-N 2.99Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.5Å |
| 114 | G | 40.6 | Very low | 45.1 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -12.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A110 | A110-G114 PolarHBondContact O-N 3.41Š|
| 115 | A | 44.1 | Very low | 43.8 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V113 | V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.5Å |
| 116 | Q | 44.1 | Very low | 42.3 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -104.4 | -3.5 | -173.8 | -69.5 | -172.5 | -29.2 | 0 | 0 | 115.2 | ||
| 117 | H | 45.3 | Very low | 41 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133.9 | 90.1 | 175.3 | -73.5 | -50.3 | 0 | 0 | 0 | 112.4 | ||
| 118 | R | 37.6 | Very low | 40.1 | Very low | 252 Ų | 252 | 144.9 Ų | 144.9 | 95% | 0.951 | 76% | 0.758 | S | S | * | * | 179.9 | 97.9 | 127.5 | -100.6 | 170.8 | 173.6 | 171.2 | -0.3 | 111.7 | |||||
| 119 | T | 33.6 | Very low | 39.4 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -83.5 | 131.3 | 153.8 | 35.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | A | 29.1 | Very low | 38.5 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | 48.2 | 144.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 121 | A | 31 | Very low | 37.6 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 82.7 | 139.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 122 | T | 33.9 | Very low | 36.8 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | cis | -167.7 | 158.6 | 7.4 | 7.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 123 | R | 39.7 | Very low | 36.3 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 142.1 | 173 | 178.6 | -173.9 | -165.5 | 174.7 | 5.1 | 114.4 | ||||
| 124 | R | 34.7 | Very low | 36.4 | Very low | 246 Ų | 246 | 136.7 Ų | 136.7 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | trans | -179.9 | 122 | 151.1 | -100.4 | 169 | -172.7 | -175.8 | 2.5 | 107.3 | ||||
| 125 | K | 35.7 | Very low | 36.1 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | cis | 84 | 113.3 | 48.1 | -163.5 | 176.6 | -175.1 | 179.7 | 0 | 115.5 | ||||
| 126 | R | 33.2 | Very low | 35.6 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | 69.1 | 155.9 | 154.9 | -84 | -174.7 | 178.2 | 172.2 | -5 | 117.7 | ||||
| 127 | A | 30.7 | Very low | 35.2 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | cis | -168.8 | 177.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 128 | A | 35.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -43.5 | 162.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 129 | G | 31.2 | Very low | 35.2 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 163 | 101.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 130 | A | 31.8 | Very low | 35.7 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | 77.8 | 119.4 | 74.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 131 | A | 31.9 | Very low | 36.5 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 66.1 | 124.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 132 | S | 33.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | 164.8 | 128.6 | 97.7 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 133 | S | 37.4 | Very low | 37.7 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 175.2 | 158.3 | -41 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 134 | P | 48.8 | Very low | 38.7 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | -148.1 | 160.6 | 62 | 34.9 | -11.6 | 0 | 0 | 0 | 118.3 | |||||
| 135 | E | 36.1 | Very low | 39.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 26.4 | 139.3 | 139.8 | -63.9 | 175.4 | 139.8 | 0 | 0 | 123.6 | ||||
| 136 | G | 33.6 | Very low | 39.6 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -160.5 | 118.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 137 | Q | 35.7 | Very low | 39.9 | Very low | 185 Ų | 185 | 122.8 Ų | 122.8 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -84.5 | 164.9 | -171.9 | -62.2 | 160 | -33.2 | 0 | 0 | 113.7 | ||||
| 138 | S | 39 | Very low | 40.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 161.1 | 115.8 | 137.6 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 139 | S | 42.3 | Very low | 40.5 | Very low | 88 Ų | 88 | 132 Ų | 132 | 62% | 0.615 | 82% | 0.823 | S | S | * | * | 64.3 | 130.1 | 90.8 | -130.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 140 | E | 45.4 | Very low | 41.4 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | cis | -175 | 162.6 | 39.3 | -133.9 | 145 | -120.4 | 0 | 0 | 110.6 | ||||
| 141 | D | 45.7 | Very low | 42.2 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -76.1 | 159.4 | -176.9 | -58.6 | -64.1 | 0 | 0 | 0 | 115.9 | ||||
| 142 | A | 47.8 | Very low | 42.6 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -160.1 | 109.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 143 | E | 41.7 | Very low | 43.2 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -75.5 | 148 | 164 | -60.7 | 174 | 153.5 | 0 | 0 | 110.1 | ||||
| 144 | S | 60.3 | Low | 43.5 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | trans | -146.2 | 105.1 | 162.6 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 145 | E | 51.9 | Low | 43.2 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -77.9 | 155.5 | 168.2 | -73.9 | -176.8 | 133 | 0 | 0 | 112.3 | ||||
| 146 | G | 37.5 | Very low | 43.4 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | 90.4 | 105.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 147 | G | 39.6 | Very low | 44 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -170.5 | 80.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 148 | Y | 35.8 | Very low | 44.2 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -72.2 | 143.9 | 169.7 | 44.4 | -88 | 0 | 0 | 0 | 110.6 | ||||
| 149 | M | 43.5 | Very low | 44.3 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | trans | -136.6 | 114.3 | 161.7 | -149.7 | 86.5 | 62.6 | 0 | 0 | 108.5 | ||||
| 150 | T | 50.8 | Low | 43.8 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | trans | -103.4 | 131.1 | 171.2 | 40.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 151 | A | 48.4 | Very low | 43.3 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -176.5 | 106.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 152 | L | 41.1 | Very low | 43.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 88% | 0.88 | 84% | 0.839 | S | S | * | * | 49.6 | 96.2 | 85.8 | -73 | 172.3 | 0 | 0 | 0 | 114.2 | |||||
| 153 | T | 45.7 | Very low | 42.9 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -145.7 | 109.7 | 139.5 | 50 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 154 | D | 42.2 | Very low | 43 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -56.3 | 138.1 | 152.1 | -90.1 | -39.7 | 0 | 0 | 0 | 109 | ||||
| 155 | S | 43.6 | Very low | 42.3 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | 179.4 | 99.5 | 146.4 | -92.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | E | 41 | Very low | 42.3 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 47.2 | 113.1 | 131.9 | -57.7 | 175.1 | 178 | 0 | 0 | 119.3 | ||||
| 157 | D | 44.4 | Very low | 43.3 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 38.5 | 93 | 138.7 | -61.2 | -29.5 | 0 | 0 | 0 | 118.1 | ||||
| 158 | E | 39.6 | Very low | 45.3 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -130.5 | 105.4 | 140.4 | -73.4 | -156.5 | 175.2 | 0 | 0 | 109.4 | Q160 | E158-Q160 PolarHBondContact O-N 3.28Š| ||
| 159 | E | 42.9 | Very low | 47.9 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | 13.9 | 86.9 | 154.7 | -61.6 | -178.9 | 175 | 0 | 0 | 115.6 | S161 | E159-S161 PolarHBondContact O-N 2.9Š| ||
| 160 | Q | 31.9 | Very low | 50.3 | Low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -67.2 | 91.6 | 153.4 | -162.6 | 163.2 | 15.6 | 0 | 0 | 106.4 | E158 D162 | E158-Q160 PolarHBondContact O-N 3.28Å; Q160-D162 PolarHBondContact O-N 3.49Å; Q160-D162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | S | 33.9 | Very low | 52.3 | Low | 86 Ų | 86 | 134.7 Ų | 134.7 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | trans | -54.1 | 116.3 | 173.1 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | E159 E163 | E159-S161 PolarHBondContact O-N 2.9Å; S161-E163 VanDerWaalsContact C-N 3.32Å; S161-E163 PolarHBondContact O-N 3.42Å | ||
| 162 | D | 41.2 | Very low | 54.6 | Low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | -56.9 | 89.1 | 171.2 | -69.8 | -43.2 | 0 | 0 | 0 | 110.4 | Q160 E164 | Q160-D162 PolarHBondContact O-N 3.49Å; Q160-D162 VanDerWaalsContact O-N 3.1Å; D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact O-N 2.91Å | ||
| 163 | E | 43.6 | Very low | 57.2 | Low | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | trans | -93.5 | 39.2 | 170.2 | -75.6 | -162.4 | 165.5 | 0 | 0 | 112.4 | S161 | S161-E163 VanDerWaalsContact C-N 3.32Å; S161-E163 PolarHBondContact O-N 3.42Å | ||
| 164 | E | 44.2 | Very low | 59.6 | Low | 179 Ų | 179 | 121.3 Ų | 121.3 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | trans | -104.9 | 10.6 | 178.8 | -76.1 | -168.7 | 160.4 | 0 | 0 | 114.8 | D162 | D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact O-N 2.91Å | ||
| 165 | Q | 46.2 | Very low | 62.1 | Low | 175 Ų | 175 | 118 Ų | 118 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -109.4 | 3.2 | -177.6 | -74.2 | -174.5 | 6.7 | 0 | 0 | 117.2 | ||
| 166 | T | 51 | Low | 64.6 | Low | 86 Ų | 86 | 117.8 Ų | 117.8 | 53% | 0.528 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -87.5 | -25.4 | -179.8 | 57.8 | 0 | 0 | 0 | 0 | 117.5 | D168 L170 | T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.94Å; T166-L170 PolarHBondContact O-N 3Å |
| 167 | P | 58.5 | Low | 67.2 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -32.3 | -172.8 | -19.1 | 28.1 | 0 | 0 | 0 | 113.7 | S171 | P167-S171 VanDerWaalsContact O-CB 3.26Å; P167-S171 WeakPolarHBondContact O-CB 3.37Å; P167-S171 PolarHBondContact O-N 3.05Å; P167-S171 PolarHBondContact O-OG 3.45Å; P167-S171 VanDerWaalsContact O-OG 3.11Å |
| 168 | D | 80.9 | Confident | 69.6 | Low | 114 Ų | 114 | 103.5 Ų | 103.5 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.7 | -37.5 | -172.3 | -156.7 | 35.6 | 0 | 0 | 0 | 112.1 | T166 S171 I172 | T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.94Å; D168-S171 PolarHBondContact O-OG 3.49Å; D168-I172 WeakPolarHBondContact O-CB 3.47Å; D168-I172 VanDerWaalsContact O-CD1 3.25Å; D168-I172 WeakPolarHBondContact O-CD1 3.45Å; D168-I172 WeakPolarHBondContact O-CG1 3.3Å; D168-I172 PolarHBondContact O-N 3.4Å |
| 169 | K | 91.3 | Very high | 72.3 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -44.8 | 175.6 | -68.6 | -178.6 | -176.8 | 174.1 | 0 | 111.9 | L173 F202 | K169-L173 WeakPolarHBondContact O-CB 3.39Å; K169-L173 PolarHBondContact O-N 3.21Å; K169-F202 HydrophobicContact CB-CZ 4.31Å |
| 170 | L | 93.1 | Very high | 74.6 | Confident | 17 Ų | 17 | 93.5 Ų | 93.5 | 9% | 0.089 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 178.9 | 178.3 | 61.5 | 0 | 0 | 0 | 110.2 | T166 I172 L173 L174 F202 N205 F208 | T166-L170 PolarHBondContact O-N 3Å; L170-I172 PolarHBondContact O-N 3.35Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.21Å; L170-L173 VanDerWaalsContact O-N 3.12Å; L170-L174 HydrophobicContact CD1-CD1 3.94Å; L170-L174 HydrophobicContact CD1-CD2 3.77Å; L170-L174 HydrophobicContact CD1-CG 3.74Å; L170-L174 HydrophobicContact CG-CD1 3.97Å; L170-L174 HydrophobicContact CG-CG 4.06Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.46Å; L170-F202 HydrophobicContact CB-CD1 4.18Å; L170-F202 HydrophobicContact CB-CE1 3.91Å; L170-F202 HydrophobicContact CB-CZ 4.38Å; L170-F202 HydrophobicContact CD1-CB 4.11Å; L170-F202 HydrophobicContact CD1-CD1 3.83Å; L170-F202 HydrophobicContact CD1-CD2 4.22Å; L170-F202 HydrophobicContact CD1-CE1 4.32Å; L170-F202 HydrophobicContact CD1-CG 3.78Å; L170-F202 HydrophobicContact CD2-CD1 4.49Å; L170-F202 HydrophobicContact CG-CD1 4.38Å; L170-N205 HydrophobicContact CD2-CB 4.27Å; L170-N205 VanDerWaalsContact CD2-ND2 3.25Å; L170-N205 WeakPolarHBondContact CD2-ND2 3.5Å; L170-F208 HydrophobicContact CD1-CB 4.34Å; L170-F208 HydrophobicContact CD1-CD2 4.39Å |
| 171 | S | 94.4 | Very high | 77.4 | Confident | 49 Ų | 49 | 88.1 Ų | 88.1 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | -179.6 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | P167 D168 L173 L174 D175 | P167-S171 VanDerWaalsContact O-CB 3.26Å; P167-S171 WeakPolarHBondContact O-CB 3.37Å; P167-S171 PolarHBondContact O-N 3.05Å; P167-S171 PolarHBondContact O-OG 3.45Å; P167-S171 VanDerWaalsContact O-OG 3.11Å; D168-S171 PolarHBondContact O-OG 3.49Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 3.24Å; S171-L174 PolarHBondContact O-N 3.02Å; S171-D175 WeakPolarHBondContact O-CB 3.44Å; S171-D175 PolarHBondContact O-N 3.18Å |
| 172 | I | 95 | Very high | 80 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.3 | -68.3 | 166.9 | 0 | 0 | 0 | 111.3 | D168 L170 R176 | D168-I172 WeakPolarHBondContact O-CB 3.47Å; D168-I172 VanDerWaalsContact O-CD1 3.25Å; D168-I172 WeakPolarHBondContact O-CD1 3.45Å; D168-I172 WeakPolarHBondContact O-CG1 3.3Å; D168-I172 PolarHBondContact O-N 3.4Å; L170-I172 PolarHBondContact O-N 3.35Å; I172-R176 PolarHBondContact O-N 2.94Å |
| 173 | L | 96 | Very high | 82.3 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -52.6 | 175.9 | 174.7 | 64.7 | 0 | 0 | 0 | 110.9 | K169 L170 S171 D175 R176 I177 V194 Q198 F202 F208 | K169-L173 WeakPolarHBondContact O-CB 3.39Å; K169-L173 PolarHBondContact O-N 3.21Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.21Å; L170-L173 VanDerWaalsContact O-N 3.12Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 3.24Å; L173-D175 VanDerWaalsContact C-N 3.3Å; L173-D175 PolarHBondContact O-N 2.96Å; L173-R176 WeakPolarHBondContact O-CB 3.38Å; L173-R176 PolarHBondContact O-N 3.34Å; L173-R176 VanDerWaalsContact O-N 3.09Å; L173-I177 HydrophobicContact CD1-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.98Å; L173-V194 HydrophobicContact CD1-CG1 3.59Å; L173-Q198 HydrophobicContact CD1-CG 4.28Å; L173-Q198 HydrophobicContact CD2-CB 3.87Å; L173-Q198 HydrophobicContact CD2-CG 3.91Å; L173-F202 HydrophobicContact CD2-CD2 3.68Å; L173-F202 HydrophobicContact CD2-CE2 3.79Å; L173-F208 HydrophobicContact CD2-CD2 4.35Å; L173-F208 HydrophobicContact CD2-CE2 4.14Å |
| 174 | L | 95.6 | Very high | 84.5 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | -177.1 | -60.2 | -168.7 | 0 | 0 | 0 | 111.4 | L170 S171 R176 I177 D178 E207 F208 | L170-L174 HydrophobicContact CD1-CD1 3.94Å; L170-L174 HydrophobicContact CD1-CD2 3.77Å; L170-L174 HydrophobicContact CD1-CG 3.74Å; L170-L174 HydrophobicContact CG-CD1 3.97Å; L170-L174 HydrophobicContact CG-CG 4.06Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.46Å; S171-L174 PolarHBondContact O-N 3.02Å; L174-R176 PolarHBondContact O-N 3.45Å; L174-I177 WeakPolarHBondContact O-CB 3.47Å; L174-I177 PolarHBondContact O-N 3.41Å; L174-D178 WeakPolarHBondContact O-CB 3.24Å; L174-D178 PolarHBondContact O-N 2.99Å; L174-E207 HydrophobicContact CD1-CB 3.71Å; L174-F208 HydrophobicContact CD2-CB 4.45Å; L174-F208 HydrophobicContact CD2-CD2 4.23Å |
| 175 | D | 95.6 | Very high | 86.8 | Confident | 88 Ų | 88 | 76 Ų | 76 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 173.3 | -86 | -2.6 | 0 | 0 | 0 | 112.4 | S171 L173 D178 R179 | S171-D175 WeakPolarHBondContact O-CB 3.44Å; S171-D175 PolarHBondContact O-N 3.18Å; L173-D175 VanDerWaalsContact C-N 3.3Å; L173-D175 PolarHBondContact O-N 2.96Å; D175-D178 PolarHBondContact O-N 3.39Å; D175-R179 WeakPolarHBondContact O-CG 3.45Å; D175-R179 PolarHBondContact O-N 3.04Å; D175-R179 VanDerWaalsContact O-N 3.08Å; D175-R179 PolarHBondContact O-NH1 3.42Å |
| 176 | R | 96 | Very high | 89 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 173.9 | 177.8 | -177.7 | 172 | -162.3 | -3.4 | 110.9 | I172 L173 L174 R179 L180 E190 | I172-R176 PolarHBondContact O-N 2.94Å; L173-R176 WeakPolarHBondContact O-CB 3.38Å; L173-R176 PolarHBondContact O-N 3.34Å; L173-R176 VanDerWaalsContact O-N 3.09Å; L174-R176 PolarHBondContact O-N 3.45Å; R176-R179 PolarHBondContact O-N 3.47Å; R176-L180 HydrophobicContact CG-CD1 4.2Å; R176-L180 HydrophobicContact CG-CG 4.47Å; R176-L180 WeakPolarHBondContact O-CG 3.48Å; R176-L180 PolarHBondContact O-N 3.06Å; R176-E190 IonicContact CZ-OE1 2.62Å; R176-E190 IonicContact NH2-OE1 3.92Å; R176-E190 PolarHBondContact NH2-OE1 3.04Å |
| 177 | I | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 178 | -68.3 | -57.1 | 0 | 0 | 0 | 111.3 | L173 L174 R179 L180 R181 S191 V194 L195 R211 | L173-I177 HydrophobicContact CD1-CG1 4.34Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.98Å; L174-I177 WeakPolarHBondContact O-CB 3.47Å; L174-I177 PolarHBondContact O-N 3.41Å; I177-R179 VanDerWaalsContact C-N 3.28Å; I177-R179 PolarHBondContact O-N 3.29Å; I177-L180 HydrophobicContact CD1-CD1 4.42Å; I177-L180 PolarHBondContact O-N 3.49Å; I177-R181 PolarHBondContact O-N 3.25Å; I177-R181 VanDerWaalsContact O-N 3.08Å; I177-S191 WeakPolarHBondContact CD1-O 3.48Å; I177-V194 HydrophobicContact CD1-CB 4.11Å; I177-V194 HydrophobicContact CD1-CG1 3.99Å; I177-L195 HydrophobicContact CD1-CD1 4.16Å; I177-L195 HydrophobicContact CD1-CD2 4.19Å; I177-L195 HydrophobicContact CD1-CG 3.73Å; I177-L195 HydrophobicContact CG1-CD1 4.37Å; I177-L195 HydrophobicContact CG1-CD2 3.89Å; I177-L195 HydrophobicContact CG1-CG 3.98Å; I177-L195 HydrophobicContact CG2-CD1 3.9Å; I177-L195 HydrophobicContact CG2-CD2 4.45Å; I177-L195 HydrophobicContact CG2-CG 4.41Å; I177-R211 HydrophobicContact CG2-CB 4.44Å |
| 178 | D | 94.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.3 | -32 | 177.5 | -76.1 | -34.4 | 0 | 0 | 0 | 112.1 | L174 D175 R211 R214 | L174-D178 WeakPolarHBondContact O-CB 3.24Å; L174-D178 PolarHBondContact O-N 2.99Å; D175-D178 PolarHBondContact O-N 3.39Å; D178-R211 IonicContact OD1-NE 2.61Å; D178-R211 PolarHBondContact OD1-NE 2.95Å; D178-R211 IonicContact OD2-CZ 3.79Å; D178-R211 IonicContact OD2-NE 2.74Å; D178-R211 PolarHBondContact OD2-NE 3.05Å; D178-R211 IonicContact OD2-NH2 2.75Å; D178-R211 PolarHBondContact OD2-NH2 2.9Å; D178-R214 IonicContact OD1-CZ 2.75Å; D178-R214 IonicContact OD1-NH1 3.58Å; D178-R214 PolarHBondContact OD1-NH1 3.04Å; D178-R214 VanDerWaalsContact OD1-NH1 3.12Å; D178-R214 IonicContact OD1-NH2 3.69Å; D178-R214 PolarHBondContact OD1-NH2 3.32Å |
| 179 | R | 95.1 | Very high | 93.4 | Very high | 149 Ų | 149 | 68.3 Ų | 68.3 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.6 | -48.9 | 171.3 | -73.4 | -172.6 | -65.1 | -87.8 | 1.2 | 113 | D175 R176 I177 R181 Q182 | D175-R179 WeakPolarHBondContact O-CG 3.45Å; D175-R179 PolarHBondContact O-N 3.04Å; D175-R179 VanDerWaalsContact O-N 3.08Å; D175-R179 PolarHBondContact O-NH1 3.42Å; R176-R179 PolarHBondContact O-N 3.47Å; I177-R179 VanDerWaalsContact C-N 3.28Å; I177-R179 PolarHBondContact O-N 3.29Å; R179-R181 PolarHBondContact O-N 2.97Å; R179-Q182 PolarHBondContact O-N 3.43Å |
| 180 | L | 93.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.5 | -36.1 | 179.7 | -77.4 | 172.7 | 0 | 0 | 0 | 111.6 | R176 I177 Q182 G183 D187 E190 | R176-L180 HydrophobicContact CG-CD1 4.2Å; R176-L180 HydrophobicContact CG-CG 4.47Å; R176-L180 WeakPolarHBondContact O-CG 3.48Å; R176-L180 PolarHBondContact O-N 3.06Å; I177-L180 HydrophobicContact CD1-CD1 4.42Å; I177-L180 PolarHBondContact O-N 3.49Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 PolarHBondContact O-N 3Å; L180-G183 PolarHBondContact O-N 3.19Å; L180-D187 HydrophobicContact CB-CB 4.44Å; L180-D187 HydrophobicContact CD2-CB 4.05Å; L180-D187 WeakPolarHBondContact O-CB 3.34Å; L180-E190 HydrophobicContact CD1-CG 4.15Å |
| 181 | R | 89.3 | Confident | 93.9 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | 177.2 | -177.2 | 172.3 | -172.5 | -133.5 | -6.4 | 114.1 | I177 R179 G183 R214 D218 | I177-R181 PolarHBondContact O-N 3.25Å; I177-R181 VanDerWaalsContact O-N 3.08Å; R179-R181 PolarHBondContact O-N 2.97Å; R181-G183 PolarHBondContact O-N 3.02Å; R181-R214 VanDerWaalsContact CZ-CD 3.4Å; R181-D218 WeakPolarHBondContact CD-OD2 3.22Å; R181-D218 WeakPolarHBondContact CG-OD2 3.5Å; R181-D218 IonicContact CZ-OD2 3.55Å; R181-D218 IonicContact NE-OD1 3.16Å; R181-D218 IonicContact NE-OD2 3.91Å; R181-D218 PolarHBondContact NE-OD2 3.04Å; R181-D218 IonicContact NH2-OD1 2.67Å |
| 182 | Q | 89 | Confident | 94 | Very high | 173 Ų | 173 | 63 Ų | 63 | 81% | 0.808 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.3 | 179 | -60.2 | 177.5 | 19 | 0 | 0 | 112.5 | R179 L180 | R179-Q182 PolarHBondContact O-N 3.43Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 PolarHBondContact O-N 3Å |
| 183 | G | 89.9 | Confident | 94.2 | Very high | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -81.4 | -164.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L180 R181 D187 | L180-G183 PolarHBondContact O-N 3.19Å; R181-G183 PolarHBondContact O-N 3.02Å; G183-D187 WeakPolarHBondContact CA-OD2 3.31Å |
| 184 | G | 90.2 | Very high | 94.2 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | trans | -80.5 | -173.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S186 D187 K188 | G184-S186 PolarHBondContact O-N 3.42Å; G184-D187 PolarHBondContact N-OD2 2.75Å; G184-D187 PolarHBondContact O-N 3.09Å; G184-D187 VanDerWaalsContact O-N 3.13Å; G184-K188 PolarHBondContact O-N 3.14Å | ||
| 185 | E | 91.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | 179.5 | -54.9 | -171.1 | 168.6 | 0 | 0 | 113.4 | R189 V222 K384 | E185-R189 WeakPolarHBondContact O-CG 3.35Å; E185-R189 PolarHBondContact O-N 2.83Å; E185-R189 PolarHBondContact O-NH1 3.22Å; E185-V222 HydrophobicContact CB-CB 4.03Å; E185-V222 HydrophobicContact CB-CG1 4.03Å; E185-V222 HydrophobicContact CB-CG2 4.43Å; E185-V222 HydrophobicContact CG-CB 4.03Å; E185-V222 HydrophobicContact CG-CG1 3.7Å; E185-K384 IonicContact OE1-NZ 3.69Å; E185-K384 PolarHBondContact OE1-NZ 3.3Å |
| 186 | S | 93.6 | Very high | 94.4 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.2 | -43.4 | 174.2 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | G184 K188 R189 E190 | G184-S186 PolarHBondContact O-N 3.42Å; S186-K188 VanDerWaalsContact C-N 3.3Å; S186-K188 PolarHBondContact O-N 3.44Å; S186-R189 PolarHBondContact O-N 3.03Å; S186-R189 VanDerWaalsContact O-N 3.08Å; S186-E190 PolarHBondContact O-N 3.43Å |
| 187 | D | 94.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 60.9 Ų | 60.9 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.6 | -34.6 | -175.8 | -53.2 | -36.6 | 0 | 0 | 0 | 111 | L180 G183 G184 E190 S191 | L180-D187 HydrophobicContact CB-CB 4.44Å; L180-D187 HydrophobicContact CD2-CB 4.05Å; L180-D187 WeakPolarHBondContact O-CB 3.34Å; G183-D187 WeakPolarHBondContact CA-OD2 3.31Å; G184-D187 PolarHBondContact N-OD2 2.75Å; G184-D187 PolarHBondContact O-N 3.09Å; G184-D187 VanDerWaalsContact O-N 3.13Å; D187-E190 PolarHBondContact O-N 3.49Å; D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 2.91Å |
| 188 | K | 92.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 171.2 | -68.9 | -179.7 | 174.3 | -160.2 | 0 | 112.8 | G184 S186 S191 L192 D218 V219 V222 | G184-K188 PolarHBondContact O-N 3.14Å; S186-K188 VanDerWaalsContact C-N 3.3Å; S186-K188 PolarHBondContact O-N 3.44Å; K188-S191 WeakPolarHBondContact O-CB 3.38Å; K188-L192 PolarHBondContact O-N 3.32Å; K188-D218 HydrophobicContact CB-CB 4.36Å; K188-D218 HydrophobicContact CD-CB 4.07Å; K188-D218 HydrophobicContact CG-CB 4.2Å; K188-V219 WeakPolarHBondContact O-CG1 3.49Å; K188-V222 HydrophobicContact CD-CG1 3.89Å |
| 189 | R | 95.7 | Very high | 94.5 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 176.1 | -67.4 | -176.7 | -172 | 100.5 | -1.1 | 111.5 | E185 S186 S191 L192 S193 V219 V222 | E185-R189 WeakPolarHBondContact O-CG 3.35Å; E185-R189 PolarHBondContact O-N 2.83Å; E185-R189 PolarHBondContact O-NH1 3.22Å; S186-R189 PolarHBondContact O-N 3.03Å; S186-R189 VanDerWaalsContact O-N 3.08Å; R189-S191 VanDerWaalsContact C-N 3.34Å; R189-L192 PolarHBondContact O-N 3.21Å; R189-S193 PolarHBondContact O-N 3.46Å; R189-V219 HydrophobicContact CG-CG1 4.28Å; R189-V222 PolarHBondContact NH2-O 2.92Å |
| 190 | E | 97 | Very high | 94.5 | Very high | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174 | -174.3 | -174.7 | 155.7 | 0 | 0 | 111 | R176 L180 S186 D187 L192 S193 V194 | R176-E190 IonicContact CZ-OE1 2.62Å; R176-E190 IonicContact NH2-OE1 3.92Å; R176-E190 PolarHBondContact NH2-OE1 3.04Å; L180-E190 HydrophobicContact CD1-CG 4.15Å; S186-E190 PolarHBondContact O-N 3.43Å; D187-E190 PolarHBondContact O-N 3.49Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 2.96Å; E190-S193 WeakPolarHBondContact O-CB 3.27Å; E190-S193 PolarHBondContact O-N 3.38Å; E190-S193 VanDerWaalsContact O-N 3.09Å; E190-V194 HydrophobicContact CG-CG2 4.17Å; E190-V194 WeakPolarHBondContact O-CG2 3.26Å; E190-V194 PolarHBondContact O-N 2.98Å |
| 191 | S | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.3 | -47.6 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | I177 D187 K188 R189 L195 | I177-S191 WeakPolarHBondContact CD1-O 3.48Å; D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 2.91Å; K188-S191 WeakPolarHBondContact O-CB 3.38Å; R189-S191 VanDerWaalsContact C-N 3.34Å; S191-L195 WeakPolarHBondContact O-CD1 3.34Å; S191-L195 WeakPolarHBondContact O-CG 3.5Å; S191-L195 PolarHBondContact O-N 3.42Å; S191-L195 VanDerWaalsContact O-N 3.08Å |
| 192 | L | 97.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 175.9 | -179.5 | 61.5 | 0 | 0 | 0 | 112.2 | K188 R189 E190 V194 L195 L196 L212 A215 Y216 V219 | K188-L192 PolarHBondContact O-N 3.32Å; R189-L192 PolarHBondContact O-N 3.21Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 2.96Å; L192-V194 PolarHBondContact O-N 3.37Å; L192-L195 PolarHBondContact O-N 2.92Å; L192-L196 HydrophobicContact CD1-CD1 4.09Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.33Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 2.93Å; L192-L212 HydrophobicContact CD1-CD1 3.53Å; L192-A215 HydrophobicContact CB-CB 4.2Å; L192-A215 HydrophobicContact CD1-CB 4.1Å; L192-Y216 HydrophobicContact CD1-CD1 4.13Å; L192-Y216 HydrophobicContact CD1-CD2 4.01Å; L192-Y216 HydrophobicContact CD1-CE1 4.02Å; L192-Y216 HydrophobicContact CD1-CE2 3.9Å; L192-Y216 HydrophobicContact CD1-CG 4.13Å; L192-Y216 HydrophobicContact CD2-CD1 3.92Å; L192-Y216 HydrophobicContact CD2-CE1 3.87Å; L192-V219 HydrophobicContact CB-CG1 3.84Å; L192-V219 HydrophobicContact CD2-CB 4.24Å; L192-V219 HydrophobicContact CD2-CG1 3.88Å; L192-V219 HydrophobicContact CD2-CG2 3.46Å; L192-V219 VanDerWaalsContact CD2-CG2 3.46Å |
| 193 | S | 97.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 178.6 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | R189 E190 L195 L196 E197 | R189-S193 PolarHBondContact O-N 3.46Å; E190-S193 WeakPolarHBondContact O-CB 3.27Å; E190-S193 PolarHBondContact O-N 3.38Å; E190-S193 VanDerWaalsContact O-N 3.09Å; S193-L195 PolarHBondContact O-N 3.26Å; S193-L196 PolarHBondContact O-N 3.36Å; S193-L196 VanDerWaalsContact O-N 3.15Å; S193-E197 WeakPolarHBondContact O-CG 3.35Å; S193-E197 PolarHBondContact O-N 3Å; S193-E197 PolarHBondContact OG-OE1 3.34Å |
| 194 | V | 97.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L173 I177 E190 L192 L196 E197 Q198 | L173-V194 HydrophobicContact CD1-CG1 3.59Å; I177-V194 HydrophobicContact CD1-CB 4.11Å; I177-V194 HydrophobicContact CD1-CG1 3.99Å; E190-V194 HydrophobicContact CG-CG2 4.17Å; E190-V194 WeakPolarHBondContact O-CG2 3.26Å; E190-V194 PolarHBondContact O-N 2.98Å; L192-V194 PolarHBondContact O-N 3.37Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.33Å; V194-E197 PolarHBondContact O-N 3.16Å; V194-Q198 WeakPolarHBondContact O-CB 3.34Å; V194-Q198 VanDerWaalsContact O-CG 3.25Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 3.21Å; V194-Q198 VanDerWaalsContact O-N 3.16Å |
| 195 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 176 | -71.1 | 163.3 | 0 | 0 | 0 | 111.9 | I177 S191 L192 S193 Q198 R199 F208 L212 A215 | I177-L195 HydrophobicContact CD1-CD1 4.16Å; I177-L195 HydrophobicContact CD1-CD2 4.19Å; I177-L195 HydrophobicContact CD1-CG 3.73Å; I177-L195 HydrophobicContact CG1-CD1 4.37Å; I177-L195 HydrophobicContact CG1-CD2 3.89Å; I177-L195 HydrophobicContact CG1-CG 3.98Å; I177-L195 HydrophobicContact CG2-CD1 3.9Å; I177-L195 HydrophobicContact CG2-CD2 4.45Å; I177-L195 HydrophobicContact CG2-CG 4.41Å; S191-L195 WeakPolarHBondContact O-CD1 3.34Å; S191-L195 WeakPolarHBondContact O-CG 3.5Å; S191-L195 PolarHBondContact O-N 3.42Å; S191-L195 VanDerWaalsContact O-N 3.08Å; L192-L195 PolarHBondContact O-N 2.92Å; S193-L195 PolarHBondContact O-N 3.26Å; L195-Q198 PolarHBondContact O-N 3.23Å; L195-R199 PolarHBondContact O-N 3.03Å; L195-F208 HydrophobicContact CB-CZ 4.45Å; L195-F208 HydrophobicContact CD2-CD2 3.81Å; L195-F208 HydrophobicContact CD2-CE2 3.54Å; L195-F208 HydrophobicContact CD2-CZ 4.15Å; L195-F208 WeakPolarHBondContact O-CZ 3.4Å; L195-L212 HydrophobicContact CB-CB 4.47Å; L195-L212 HydrophobicContact CB-CD1 3.71Å; L195-L212 HydrophobicContact CD1-CB 4.42Å; L195-L212 HydrophobicContact CD1-CD1 4.46Å; L195-A215 HydrophobicContact CD1-CB 3.63Å |
| 196 | L | 97.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 62.8 Ų | 62.8 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 176.8 | -69.7 | 173.2 | 0 | 0 | 0 | 112.4 | L192 S193 V194 Q198 R199 L212 Y216 | L192-L196 HydrophobicContact CD1-CD1 4.09Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.33Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 2.93Å; S193-L196 PolarHBondContact O-N 3.36Å; S193-L196 VanDerWaalsContact O-N 3.15Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.33Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.93Å; L196-R199 WeakPolarHBondContact O-CB 3.39Å; L196-R199 PolarHBondContact O-N 3.48Å; L196-L212 HydrophobicContact CD2-CD1 4Å; L196-L212 HydrophobicContact CG-CD1 4.34Å; L196-Y216 WeakPolarHBondContact CD2-OH 3.27Å |
| 197 | E | 97.1 | Very high | 95.6 | Very high | 126 Ų | 126 | 63.9 Ų | 63.9 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -32.4 | 175.9 | -72.3 | 165.1 | -154.2 | 0 | 0 | 112.7 | S193 V194 | S193-E197 WeakPolarHBondContact O-CG 3.35Å; S193-E197 PolarHBondContact O-N 3Å; S193-E197 PolarHBondContact OG-OE1 3.34Å; V194-E197 PolarHBondContact O-N 3.16Å |
| 198 | Q | 96.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.8 | -177.7 | -61.9 | -63.8 | -58.2 | 0 | 0 | 113.1 | L173 V194 L195 L196 D200 E201 F202 F208 | L173-Q198 HydrophobicContact CD1-CG 4.28Å; L173-Q198 HydrophobicContact CD2-CB 3.87Å; L173-Q198 HydrophobicContact CD2-CG 3.91Å; V194-Q198 WeakPolarHBondContact O-CB 3.34Å; V194-Q198 VanDerWaalsContact O-CG 3.25Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 3.21Å; V194-Q198 VanDerWaalsContact O-N 3.16Å; L195-Q198 PolarHBondContact O-N 3.23Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.93Å; Q198-D200 VanDerWaalsContact C-N 3.31Å; Q198-D200 PolarHBondContact O-N 3.07Å; Q198-E201 PolarHBondContact O-N 3.1Å; Q198-F202 HydrophobicContact CB-CD2 4.09Å; Q198-F202 PolarHBondContact O-N 2.86Å; Q198-F208 HydrophobicContact CB-CE2 4.02Å; Q198-F208 HydrophobicContact CB-CZ 4.3Å |
| 199 | R | 95 | Very high | 96.1 | Very high | 93 Ų | 93 | 59 Ų | 59 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -32.5 | -175.9 | -171.1 | 171.9 | -174.4 | -87.1 | -3.9 | 112.8 | L195 L196 E201 G203 F208 E242 | L195-R199 PolarHBondContact O-N 3.03Å; L196-R199 WeakPolarHBondContact O-CB 3.39Å; L196-R199 PolarHBondContact O-N 3.48Å; R199-E201 VanDerWaalsContact C-N 3.31Å; R199-E201 PolarHBondContact O-N 3.19Å; R199-G203 WeakPolarHBondContact O-CA 3.45Å; R199-G203 PolarHBondContact O-N 3.32Å; R199-F208 HydrophobicContact CB-CE1 4.43Å; R199-F208 HydrophobicContact CB-CZ 4.42Å; R199-F208 HydrophobicContact CG-CE1 4.45Å; R199-E242 IonicContact CZ-OE2 2.95Å; R199-E242 IonicContact NH2-OE1 3.64Å; R199-E242 PolarHBondContact NH2-OE1 3.47Å; R199-E242 IonicContact NH2-OE2 2.64Å; R199-E242 PolarHBondContact NH2-OE2 3.42Å |
| 200 | D | 94.5 | Very high | 96.2 | Very high | 161 Ų | 161 | 54.8 Ų | 54.8 | 86% | 0.861 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.5 | -31.8 | 179.3 | -67.6 | -19.6 | 0 | 0 | 0 | 112.1 | Q198 | Q198-D200 VanDerWaalsContact C-N 3.31Å; Q198-D200 PolarHBondContact O-N 3.07Å |
| 201 | E | 94.4 | Very high | 96.2 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -86 | -42.4 | -179.6 | -169.8 | 173.5 | 166.9 | 0 | 0 | 112.1 | Q198 R199 | Q198-E201 PolarHBondContact O-N 3.1Å; R199-E201 VanDerWaalsContact C-N 3.31Å; R199-E201 PolarHBondContact O-N 3.19Å |
| 202 | F | 94.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -115.4 | 7.4 | -171.2 | -55.5 | -62.9 | 0 | 0 | 0 | 114.9 | K169 L170 L173 Q198 Q204 N205 F208 | K169-F202 HydrophobicContact CB-CZ 4.31Å; L170-F202 HydrophobicContact CB-CD1 4.18Å; L170-F202 HydrophobicContact CB-CE1 3.91Å; L170-F202 HydrophobicContact CB-CZ 4.38Å; L170-F202 HydrophobicContact CD1-CB 4.11Å; L170-F202 HydrophobicContact CD1-CD1 3.83Å; L170-F202 HydrophobicContact CD1-CD2 4.22Å; L170-F202 HydrophobicContact CD1-CE1 4.32Å; L170-F202 HydrophobicContact CD1-CG 3.78Å; L170-F202 HydrophobicContact CD2-CD1 4.49Å; L170-F202 HydrophobicContact CG-CD1 4.38Å; L173-F202 HydrophobicContact CD2-CD2 3.68Å; L173-F202 HydrophobicContact CD2-CE2 3.79Å; Q198-F202 HydrophobicContact CB-CD2 4.09Å; Q198-F202 PolarHBondContact O-N 2.86Å; F202-Q204 PolarHBondContact O-N 3.4Å; F202-N205 WeakPolarHBondContact O-CB 3.48Å; F202-N205 PolarHBondContact O-N 3.07Å; F202-F208 HydrophobicContact CB-CB 4.14Å; F202-F208 HydrophobicContact CB-CD1 4.21Å; F202-F208 HydrophobicContact CB-CD2 3.6Å; F202-F208 HydrophobicContact CB-CE1 4.5Å; F202-F208 HydrophobicContact CB-CE2 3.9Å; F202-F208 HydrophobicContact CB-CG 3.73Å; F202-F208 HydrophobicContact CB-CZ 4.31Å; F202-F208 HydrophobicContact CD2-CD2 4.48Å; F202-F208 HydrophobicContact CD2-CE2 4.38Å; F202-F208 HydrophobicContact CG-CD2 4.41Å; F202-F208 WeakPolarHBondContact O-CD1 3.13Å |
| 203 | G | 91.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116 | R199 L209 | R199-G203 WeakPolarHBondContact O-CA 3.45Å; R199-G203 PolarHBondContact O-N 3.32Å; G203-L209 WeakPolarHBondContact O-CD1 3.43Å; G203-L209 WeakPolarHBondContact O-CD2 3.14Å |
| 204 | Q | 93.4 | Very high | 96.2 | Very high | 143 Ų | 143 | 50 Ų | 50 | 67% | 0.668 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 2.8 | 173.3 | -62.9 | -57 | -52.3 | 0 | 0 | 113.1 | F202 V246 | F202-Q204 PolarHBondContact O-N 3.4Å; Q204-V246 VanDerWaalsContact O-CG1 3.26Å; Q204-V246 WeakPolarHBondContact O-CG1 3.46Å |
| 205 | N | 95.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | trans | -90.8 | 125.3 | 178 | -172.6 | -69.4 | 0 | 0 | 0 | 110.9 | L170 F202 E207 F208 L209 | L170-N205 HydrophobicContact CD2-CB 4.27Å; L170-N205 VanDerWaalsContact CD2-ND2 3.25Å; L170-N205 WeakPolarHBondContact CD2-ND2 3.5Å; F202-N205 WeakPolarHBondContact O-CB 3.48Å; F202-N205 PolarHBondContact O-N 3.07Å; N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 3.35Å; N205-E207 WeakPolarHBondContact OD1-CA 3.05Å; N205-E207 VanDerWaalsContact OD1-CB 3.31Å; N205-E207 WeakPolarHBondContact OD1-CB 3.44Å; N205-E207 PolarHBondContact OD1-N 3.31Å; N205-F208 HydrophobicContact CB-CB 4.06Å; N205-F208 WeakPolarHBondContact O-CB 3.47Å; N205-F208 PolarHBondContact O-N 2.84Å; N205-F208 PolarHBondContact OD1-N 3.31Å; N205-L209 WeakPolarHBondContact O-CG 3.46Å; N205-L209 PolarHBondContact O-N 2.83Å | ||
| 206 | S | 95.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -40.5 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | F208 L209 W210 N247 | S206-F208 VanDerWaalsContact C-N 3.29Å; S206-F208 PolarHBondContact O-N 3.45Å; S206-L209 PolarHBondContact O-N 3.21Å; S206-W210 PolarHBondContact O-N 2.82Å; S206-N247 WeakPolarHBondContact OG-CB 3.41Å; S206-N247 PolarHBondContact OG-ND2 3.4Å |
| 207 | E | 95.7 | Very high | 96 | Very high | 107 Ų | 107 | 47.2 Ų | 47.2 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.2 | -29.7 | -176.9 | -63.9 | -167.2 | 177.5 | 0 | 0 | 113.3 | L174 N205 R211 | L174-E207 HydrophobicContact CD1-CB 3.71Å; N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 3.35Å; N205-E207 WeakPolarHBondContact OD1-CA 3.05Å; N205-E207 VanDerWaalsContact OD1-CB 3.31Å; N205-E207 WeakPolarHBondContact OD1-CB 3.44Å; N205-E207 PolarHBondContact OD1-N 3.31Å; E207-R211 WeakPolarHBondContact O-CD 3.23Å; E207-R211 WeakPolarHBondContact O-CG 3.43Å; E207-R211 PolarHBondContact O-NH1 3.36Å; E207-R211 VanDerWaalsContact O-NH1 3.12Å |
| 208 | F | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73 | -48.9 | 172.4 | 177.5 | -91.2 | 0 | 0 | 0 | 111.1 | L170 L173 L174 L195 Q198 R199 F202 N205 S206 W210 R211 L212 | L170-F208 HydrophobicContact CD1-CB 4.34Å; L170-F208 HydrophobicContact CD1-CD2 4.39Å; L173-F208 HydrophobicContact CD2-CD2 4.35Å; L173-F208 HydrophobicContact CD2-CE2 4.14Å; L174-F208 HydrophobicContact CD2-CB 4.45Å; L174-F208 HydrophobicContact CD2-CD2 4.23Å; L195-F208 HydrophobicContact CB-CZ 4.45Å; L195-F208 HydrophobicContact CD2-CD2 3.81Å; L195-F208 HydrophobicContact CD2-CE2 3.54Å; L195-F208 HydrophobicContact CD2-CZ 4.15Å; L195-F208 WeakPolarHBondContact O-CZ 3.4Å; Q198-F208 HydrophobicContact CB-CE2 4.02Å; Q198-F208 HydrophobicContact CB-CZ 4.3Å; R199-F208 HydrophobicContact CB-CE1 4.43Å; R199-F208 HydrophobicContact CB-CZ 4.42Å; R199-F208 HydrophobicContact CG-CE1 4.45Å; F202-F208 HydrophobicContact CB-CB 4.14Å; F202-F208 HydrophobicContact CB-CD1 4.21Å; F202-F208 HydrophobicContact CB-CD2 3.6Å; F202-F208 HydrophobicContact CB-CE1 4.5Å; F202-F208 HydrophobicContact CB-CE2 3.9Å; F202-F208 HydrophobicContact CB-CG 3.73Å; F202-F208 HydrophobicContact CB-CZ 4.31Å; F202-F208 HydrophobicContact CD2-CD2 4.48Å; F202-F208 HydrophobicContact CD2-CE2 4.38Å; F202-F208 HydrophobicContact CG-CD2 4.41Å; F202-F208 WeakPolarHBondContact O-CD1 3.13Å; N205-F208 HydrophobicContact CB-CB 4.06Å; N205-F208 WeakPolarHBondContact O-CB 3.47Å; N205-F208 PolarHBondContact O-N 2.84Å; N205-F208 PolarHBondContact OD1-N 3.31Å; S206-F208 VanDerWaalsContact C-N 3.29Å; S206-F208 PolarHBondContact O-N 3.45Å; F208-W210 PolarHBondContact O-N 3.44Å; F208-R211 WeakPolarHBondContact O-CB 3.29Å; F208-R211 PolarHBondContact O-N 3.31Å; F208-R211 VanDerWaalsContact O-N 3.15Å; F208-L212 HydrophobicContact CE1-CD2 4.28Å; F208-L212 PolarHBondContact O-N 3.26Å |
| 209 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | -174.8 | -75.5 | 173.3 | 0 | 0 | 0 | 112.8 | G203 N205 S206 R211 L212 T213 V239 E242 A243 V246 | G203-L209 WeakPolarHBondContact O-CD1 3.43Å; G203-L209 WeakPolarHBondContact O-CD2 3.14Å; N205-L209 WeakPolarHBondContact O-CG 3.46Å; N205-L209 PolarHBondContact O-N 2.83Å; S206-L209 PolarHBondContact O-N 3.21Å; L209-R211 VanDerWaalsContact C-N 3.25Å; L209-R211 PolarHBondContact O-N 2.9Å; L209-L212 WeakPolarHBondContact O-CB 3.29Å; L209-L212 PolarHBondContact O-N 3.37Å; L209-L212 VanDerWaalsContact O-N 3.12Å; L209-T213 PolarHBondContact O-N 2.91Å; L209-T213 PolarHBondContact O-OG1 3.35Å; L209-T213 VanDerWaalsContact O-OG1 3.07Å; L209-V239 HydrophobicContact CD2-CG1 4.05Å; L209-E242 HydrophobicContact CD1-CG 4.11Å; L209-E242 HydrophobicContact CD2-CG 4.35Å; L209-A243 HydrophobicContact CB-CB 3.71Å; L209-A243 HydrophobicContact CD1-CB 4.48Å; L209-V246 HydrophobicContact CD1-CB 4.01Å; L209-V246 HydrophobicContact CD1-CG1 4.34Å; L209-V246 HydrophobicContact CD1-CG2 3.63Å |
| 210 | W | 97.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 35 Ų | 35 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -30 | 178.9 | 72.9 | -113.1 | 0 | 0 | 0 | 112 | S206 F208 T213 R214 E252 W256 | S206-W210 PolarHBondContact O-N 2.82Å; F208-W210 PolarHBondContact O-N 3.44Å; W210-T213 PolarHBondContact O-N 3.16Å; W210-R214 VanDerWaalsContact O-CB 3.31Å; W210-R214 WeakPolarHBondContact O-CB 3.5Å; W210-R214 PolarHBondContact O-N 3.19Å; W210-E252 HydrophobicContact CB-CB 4.32Å; W210-E252 HydrophobicContact CD2-CB 3.62Å; W210-E252 HydrophobicContact CD2-CG 4.25Å; W210-E252 HydrophobicContact CE3-CB 4.05Å; W210-E252 HydrophobicContact CE3-CG 4.49Å; W210-E252 HydrophobicContact CG-CB 3.73Å; W210-E252 HydrophobicContact CH2-CG 4.43Å; W210-E252 HydrophobicContact CZ2-CB 4.37Å; W210-E252 HydrophobicContact CZ2-CG 4.1Å; W210-W256 AromaticContact CE3-CD1 3.66Å; W210-W256 AromaticContact CE3-NE1 3.73Å; W210-W256 AromaticContact CZ3-NE1 3.95Å |
| 211 | R | 98.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 11% | 0.106 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70 | -35.3 | 173 | -76.7 | 179.4 | 172.3 | 91.4 | -9.6 | 111.9 | I177 D178 E207 F208 L209 R214 A215 | I177-R211 HydrophobicContact CG2-CB 4.44Å; D178-R211 IonicContact OD1-NE 2.61Å; D178-R211 PolarHBondContact OD1-NE 2.95Å; D178-R211 IonicContact OD2-CZ 3.79Å; D178-R211 IonicContact OD2-NE 2.74Å; D178-R211 PolarHBondContact OD2-NE 3.05Å; D178-R211 IonicContact OD2-NH2 2.75Å; D178-R211 PolarHBondContact OD2-NH2 2.9Å; E207-R211 WeakPolarHBondContact O-CD 3.23Å; E207-R211 WeakPolarHBondContact O-CG 3.43Å; E207-R211 PolarHBondContact O-NH1 3.36Å; E207-R211 VanDerWaalsContact O-NH1 3.12Å; F208-R211 WeakPolarHBondContact O-CB 3.29Å; F208-R211 PolarHBondContact O-N 3.31Å; F208-R211 VanDerWaalsContact O-N 3.15Å; L209-R211 VanDerWaalsContact C-N 3.25Å; L209-R211 PolarHBondContact O-N 2.9Å; R211-R214 PolarHBondContact O-N 3.49Å; R211-A215 WeakPolarHBondContact O-CB 3.2Å; R211-A215 PolarHBondContact O-N 2.97Å |
| 212 | L | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 171.5 | 178.2 | 60 | 0 | 0 | 0 | 111.5 | L192 L195 L196 F208 L209 R214 A215 Y216 V239 | L192-L212 HydrophobicContact CD1-CD1 3.53Å; L195-L212 HydrophobicContact CB-CB 4.47Å; L195-L212 HydrophobicContact CB-CD1 3.71Å; L195-L212 HydrophobicContact CD1-CB 4.42Å; L195-L212 HydrophobicContact CD1-CD1 4.46Å; L196-L212 HydrophobicContact CD2-CD1 4Å; L196-L212 HydrophobicContact CG-CD1 4.34Å; F208-L212 HydrophobicContact CE1-CD2 4.28Å; F208-L212 PolarHBondContact O-N 3.26Å; L209-L212 WeakPolarHBondContact O-CB 3.29Å; L209-L212 PolarHBondContact O-N 3.37Å; L209-L212 VanDerWaalsContact O-N 3.12Å; L212-R214 VanDerWaalsContact C-N 3.27Å; L212-R214 PolarHBondContact O-N 3.02Å; L212-A215 PolarHBondContact O-N 3.38Å; L212-A215 VanDerWaalsContact O-N 3.16Å; L212-Y216 HydrophobicContact CD1-CD2 4.13Å; L212-Y216 HydrophobicContact CD1-CE2 3.76Å; L212-Y216 HydrophobicContact CG-CD2 4.25Å; L212-Y216 HydrophobicContact CG-CE2 3.99Å; L212-Y216 VanDerWaalsContact O-CD2 3.29Å; L212-Y216 WeakPolarHBondContact O-CD2 3.24Å; L212-Y216 PolarHBondContact O-N 3.04Å; L212-V239 HydrophobicContact CB-CG1 4.11Å; L212-V239 HydrophobicContact CD2-CG1 3.79Å; L212-V239 HydrophobicContact CD2-CG2 4.13Å; L212-V239 HydrophobicContact CG-CG1 3.85Å; L212-V239 HydrophobicContact CG-CG2 4.43Å |
| 213 | T | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.3 | -47.4 | 171.8 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | L209 W210 Y216 C217 G240 W256 M260 | L209-T213 PolarHBondContact O-N 2.91Å; L209-T213 PolarHBondContact O-OG1 3.35Å; L209-T213 VanDerWaalsContact O-OG1 3.07Å; W210-T213 PolarHBondContact O-N 3.16Å; T213-Y216 WeakPolarHBondContact O-CB 3.37Å; T213-Y216 PolarHBondContact O-N 2.9Å; T213-C217 PolarHBondContact O-N 3.19Å; T213-C217 PolarHBondContact O-SG 2.98Å; T213-G240 VanDerWaalsContact OG1-CA 3.3Å; T213-G240 WeakPolarHBondContact OG1-CA 3.08Å; T213-G240 PolarHBondContact OG1-N 3.43Å; T213-W256 HydrophobicContact CG2-CB 3.76Å; T213-M260 HydrophobicContact CG2-CG 3.56Å |
| 214 | R | 96.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 6% | 0.06 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 177.9 | -176.2 | 179.3 | 77.3 | 172 | -2.9 | 113.1 | D178 R181 W210 R211 L212 Y216 C217 D218 W256 | D178-R214 IonicContact OD1-CZ 2.75Å; D178-R214 IonicContact OD1-NH1 3.58Å; D178-R214 PolarHBondContact OD1-NH1 3.04Å; D178-R214 VanDerWaalsContact OD1-NH1 3.12Å; D178-R214 IonicContact OD1-NH2 3.69Å; D178-R214 PolarHBondContact OD1-NH2 3.32Å; R181-R214 VanDerWaalsContact CZ-CD 3.4Å; W210-R214 VanDerWaalsContact O-CB 3.31Å; W210-R214 WeakPolarHBondContact O-CB 3.5Å; W210-R214 PolarHBondContact O-N 3.19Å; R211-R214 PolarHBondContact O-N 3.49Å; L212-R214 VanDerWaalsContact C-N 3.27Å; L212-R214 PolarHBondContact O-N 3.02Å; R214-Y216 VanDerWaalsContact C-N 3.25Å; R214-Y216 PolarHBondContact O-N 3.42Å; R214-C217 WeakPolarHBondContact O-CA 3.39Å; R214-C217 VanDerWaalsContact O-CB 3.26Å; R214-C217 WeakPolarHBondContact O-CB 3.38Å; R214-C217 PolarHBondContact O-N 2.93Å; R214-D218 PolarHBondContact O-N 3.42Å; R214-W256 HydrophobicContact CB-CD2 3.68Å; R214-W256 HydrophobicContact CB-CE3 3.96Å; R214-W256 HydrophobicContact CB-CG 4.08Å; R214-W256 HydrophobicContact CB-CZ2 4.28Å; R214-W256 HydrophobicContact CB-CZ3 4.37Å; R214-W256 HydrophobicContact CG-CD2 3.77Å; R214-W256 HydrophobicContact CG-CE3 3.87Å; R214-W256 HydrophobicContact CG-CH2 3.6Å; R214-W256 HydrophobicContact CG-CZ2 3.46Å; R214-W256 VanDerWaalsContact CG-CZ2 3.46Å; R214-W256 HydrophobicContact CG-CZ3 3.78Å |
| 215 | A | 97.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L192 L195 R211 L212 D218 V219 | L192-A215 HydrophobicContact CB-CB 4.2Å; L192-A215 HydrophobicContact CD1-CB 4.1Å; L195-A215 HydrophobicContact CD1-CB 3.63Å; R211-A215 WeakPolarHBondContact O-CB 3.2Å; R211-A215 PolarHBondContact O-N 2.97Å; L212-A215 PolarHBondContact O-N 3.38Å; L212-A215 VanDerWaalsContact O-N 3.16Å; A215-D218 PolarHBondContact O-N 3.27Å; A215-V219 WeakPolarHBondContact O-CG2 3.33Å; A215-V219 PolarHBondContact O-N 3.39Å |
| 216 | Y | 97.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 169.8 | -81.6 | -70 | 0 | 0 | 0 | 113 | L192 L196 L212 T213 R214 V219 H220 H232 N235 G236 V239 | L192-Y216 HydrophobicContact CD1-CD1 4.13Å; L192-Y216 HydrophobicContact CD1-CD2 4.01Å; L192-Y216 HydrophobicContact CD1-CE1 4.02Å; L192-Y216 HydrophobicContact CD1-CE2 3.9Å; L192-Y216 HydrophobicContact CD1-CG 4.13Å; L192-Y216 HydrophobicContact CD2-CD1 3.92Å; L192-Y216 HydrophobicContact CD2-CE1 3.87Å; L196-Y216 WeakPolarHBondContact CD2-OH 3.27Å; L212-Y216 HydrophobicContact CD1-CD2 4.13Å; L212-Y216 HydrophobicContact CD1-CE2 3.76Å; L212-Y216 HydrophobicContact CG-CD2 4.25Å; L212-Y216 HydrophobicContact CG-CE2 3.99Å; L212-Y216 VanDerWaalsContact O-CD2 3.29Å; L212-Y216 WeakPolarHBondContact O-CD2 3.24Å; L212-Y216 PolarHBondContact O-N 3.04Å; T213-Y216 WeakPolarHBondContact O-CB 3.37Å; T213-Y216 PolarHBondContact O-N 2.9Å; R214-Y216 VanDerWaalsContact C-N 3.25Å; R214-Y216 PolarHBondContact O-N 3.42Å; Y216-V219 WeakPolarHBondContact O-CG2 3.43Å; Y216-H220 VanDerWaalsContact O-CB 3.3Å; Y216-H220 WeakPolarHBondContact O-CB 3.46Å; Y216-H220 PolarHBondContact O-N 3.1Å; Y216-H232 HydrophobicContact CD1-CB 4.2Å; Y216-H232 AromaticContact CD1-ND1 3.92Å; Y216-N235 HydrophobicContact CD1-CB 4.05Å; Y216-N235 HydrophobicContact CE1-CB 3.5Å; Y216-N235 HydrophobicContact CE2-CB 4.31Å; Y216-G236 VanDerWaalsContact CB-CA 3.49Å; Y216-V239 HydrophobicContact CD2-CG2 4.46Å; Y216-V239 HydrophobicContact CE2-CG2 3.95Å |
| 217 | C | 92.8 | Very high | 94 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 171 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | T213 R214 V219 H220 D221 W256 M260 I263 | T213-C217 PolarHBondContact O-N 3.19Å; T213-C217 PolarHBondContact O-SG 2.98Å; R214-C217 WeakPolarHBondContact O-CA 3.39Å; R214-C217 VanDerWaalsContact O-CB 3.26Å; R214-C217 WeakPolarHBondContact O-CB 3.38Å; R214-C217 PolarHBondContact O-N 2.93Å; C217-V219 VanDerWaalsContact C-N 3.34Å; C217-V219 PolarHBondContact O-N 2.85Å; C217-H220 WeakPolarHBondContact O-CB 3.38Å; C217-H220 PolarHBondContact O-N 3.3Å; C217-D221 PolarHBondContact O-N 3.18Å; C217-W256 HydrophobicContact CB-CZ3 4.27Å; C217-M260 HydrophobicContact CB-SD 4.34Å; C217-M260 PolarHBondContact SG-SD 2.99Å; C217-I263 HydrophobicContact CB-CD1 4.33Å |
| 218 | D | 89.9 | Confident | 93.9 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | -175 | -74.4 | -38.4 | 0 | 0 | 0 | 111.6 | R181 K188 R214 A215 | R181-D218 WeakPolarHBondContact CD-OD2 3.22Å; R181-D218 WeakPolarHBondContact CG-OD2 3.5Å; R181-D218 IonicContact CZ-OD2 3.55Å; R181-D218 IonicContact NE-OD1 3.16Å; R181-D218 IonicContact NE-OD2 3.91Å; R181-D218 PolarHBondContact NE-OD2 3.04Å; R181-D218 IonicContact NH2-OD1 2.67Å; K188-D218 HydrophobicContact CB-CB 4.36Å; K188-D218 HydrophobicContact CD-CB 4.07Å; K188-D218 HydrophobicContact CG-CB 4.2Å; R214-D218 PolarHBondContact O-N 3.42Å; A215-D218 PolarHBondContact O-N 3.27Å |
| 219 | V | 94.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.1 | -36.4 | 175 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | K188 R189 L192 A215 Y216 C217 D221 V222 S223 H232 | K188-V219 WeakPolarHBondContact O-CG1 3.49Å; R189-V219 HydrophobicContact CG-CG1 4.28Å; L192-V219 HydrophobicContact CB-CG1 3.84Å; L192-V219 HydrophobicContact CD2-CB 4.24Å; L192-V219 HydrophobicContact CD2-CG1 3.88Å; L192-V219 HydrophobicContact CD2-CG2 3.46Å; L192-V219 VanDerWaalsContact CD2-CG2 3.46Å; A215-V219 WeakPolarHBondContact O-CG2 3.33Å; A215-V219 PolarHBondContact O-N 3.39Å; Y216-V219 WeakPolarHBondContact O-CG2 3.43Å; C217-V219 VanDerWaalsContact C-N 3.34Å; C217-V219 PolarHBondContact O-N 2.85Å; V219-D221 PolarHBondContact O-N 3.03Å; V219-V222 CarbonylContact O-C 3.55Å; V219-V222 WeakPolarHBondContact O-CG2 3.37Å; V219-V222 PolarHBondContact O-N 3.34Å; V219-V222 VanDerWaalsContact O-N 3.08Å; V219-S223 PolarHBondContact O-N 3.26Å; V219-S223 PolarHBondContact O-OG 3.47Å; V219-H232 HydrophobicContact CG2-CB 4.11Å |
| 220 | H | 93.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.6 | -43.2 | 174.9 | 163.8 | -84.5 | 0 | 0 | 0 | 111.2 | Y216 C217 V222 S223 K229 H232 I263 Y267 | Y216-H220 VanDerWaalsContact O-CB 3.3Å; Y216-H220 WeakPolarHBondContact O-CB 3.46Å; Y216-H220 PolarHBondContact O-N 3.1Å; C217-H220 WeakPolarHBondContact O-CB 3.38Å; C217-H220 PolarHBondContact O-N 3.3Å; H220-V222 VanDerWaalsContact C-N 3.28Å; H220-V222 PolarHBondContact O-N 3.34Å; H220-S223 PolarHBondContact O-N 3.24Å; H220-K229 PolarHBondContact CD2-O 3.15Å; H220-K229 WeakPolarHBondContact O-CE 3.48Å; H220-K229 WeakPolarHBondContact O-CG 3.34Å; H220-H232 HydrophobicContact CB-CB 4.19Å; H220-I263 WeakPolarHBondContact NE2-CG2 3.22Å; H220-Y267 AromaticContact NE2-CE2 3.73Å; H220-Y267 AromaticContact NE2-CZ 3.66Å; H220-Y267 PolarHBondContact NE2-OH 3.21Å |
| 221 | D | 86.7 | Confident | 93.3 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.3 | -25 | -178 | -70.9 | -8.4 | 0 | 0 | 0 | 113.7 | F26 C217 V219 | F26-D221 HydrophobicContact CE2-CB 4.3Å; F26-D221 HydrophobicContact CZ-CB 4.42Å; F26-D221 VanDerWaalsContact CZ-O 3.25Å; F26-D221 WeakPolarHBondContact CZ-O 3.45Å; C217-D221 PolarHBondContact O-N 3.18Å; V219-D221 PolarHBondContact O-N 3.03Å |
| 222 | V | 88 | Confident | 93.2 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -104.3 | -2.2 | 179.7 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | E185 K188 R189 V219 H220 | E185-V222 HydrophobicContact CB-CB 4.03Å; E185-V222 HydrophobicContact CB-CG1 4.03Å; E185-V222 HydrophobicContact CB-CG2 4.43Å; E185-V222 HydrophobicContact CG-CB 4.03Å; E185-V222 HydrophobicContact CG-CG1 3.7Å; K188-V222 HydrophobicContact CD-CG1 3.89Å; R189-V222 PolarHBondContact NH2-O 2.92Å; V219-V222 CarbonylContact O-C 3.55Å; V219-V222 WeakPolarHBondContact O-CG2 3.37Å; V219-V222 PolarHBondContact O-N 3.34Å; V219-V222 VanDerWaalsContact O-N 3.08Å; H220-V222 VanDerWaalsContact C-N 3.28Å; H220-V222 PolarHBondContact O-N 3.34Å |
| 223 | S | 90.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -70.5 | 146 | 174.1 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | V219 H220 K229 H232 | V219-S223 PolarHBondContact O-N 3.26Å; V219-S223 PolarHBondContact O-OG 3.47Å; H220-S223 PolarHBondContact O-N 3.24Å; S223-K229 WeakPolarHBondContact O-CE 3.33Å; S223-H232 PolarHBondContact OG-CD2 3.34Å; S223-H232 VanDerWaalsContact OG-CD2 3.24Å; S223-H232 PolarHBondContact OG-NE2 3.16Å | ||
| 224 | A | 89.4 | Confident | 92.8 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 77% | 0.769 | 24% | 0.242 | S | C | * | . | trans | -93.6 | -38.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | T | 91.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -96.9 | 152.5 | -175.2 | 67 | 0 | 0 | 0 | 0 | 111.7 | E227 E228 K229 | T225-E227 VanDerWaalsContact C-N 3.27Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-E228 PolarHBondContact N-OE2 3.41Å; T225-E228 VanDerWaalsContact OG1-CB 3.24Å; T225-E228 WeakPolarHBondContact OG1-CB 3.44Å; T225-E228 WeakPolarHBondContact OG1-CG 3.47Å; T225-E228 PolarHBondContact OG1-N 2.82Å; T225-E228 PolarHBondContact OG1-OE2 3.38Å; T225-K229 VanDerWaalsContact O-CG 3.31Å; T225-K229 WeakPolarHBondContact O-CG 3.43Å; T225-K229 PolarHBondContact O-N 2.7Å; T225-K229 VanDerWaalsContact O-N 3.13Å |
| 226 | L | 89.5 | Confident | 92.9 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 59% | 0.586 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.1 | -35.4 | 178.4 | -172.2 | 69.6 | 0 | 0 | 0 | 110.9 | K229 K230 Y267 | L226-K229 PolarHBondContact O-N 3.03Å; L226-K230 WeakPolarHBondContact O-CB 3.4Å; L226-K230 PolarHBondContact O-N 3.23Å; L226-Y267 HydrophobicContact CD1-CD1 4.43Å; L226-Y267 HydrophobicContact CD1-CE1 3.7Å; L226-Y267 HydrophobicContact CG-CE1 4.42Å |
| 227 | E | 92.3 | Very high | 92.8 | Very high | 137 Ų | 137 | 48.6 Ų | 48.6 | 64% | 0.64 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 178.7 | -64.7 | 77.5 | -170 | 0 | 0 | 111.8 | T225 K230 T231 | T225-E227 VanDerWaalsContact C-N 3.27Å; T225-E227 PolarHBondContact O-N 2.96Å; E227-K230 PolarHBondContact O-N 2.67Å; E227-T231 WeakPolarHBondContact O-CB 3.33Å; E227-T231 PolarHBondContact O-N 3.36Å; E227-T231 PolarHBondContact O-OG1 3.33Å |
| 228 | E | 93.6 | Very high | 93 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 174 | -75.4 | 164 | 161.4 | 0 | 0 | 111 | T225 K230 T231 H232 | T225-E228 PolarHBondContact N-OE2 3.41Å; T225-E228 VanDerWaalsContact OG1-CB 3.24Å; T225-E228 WeakPolarHBondContact OG1-CB 3.44Å; T225-E228 WeakPolarHBondContact OG1-CG 3.47Å; T225-E228 PolarHBondContact OG1-N 2.82Å; T225-E228 PolarHBondContact OG1-OE2 3.38Å; E228-K230 VanDerWaalsContact C-N 3.35Å; E228-K230 PolarHBondContact O-N 2.9Å; E228-T231 WeakPolarHBondContact O-CB 3.42Å; E228-T231 PolarHBondContact O-N 2.67Å; E228-T231 VanDerWaalsContact O-N 3.16Å; E228-H232 PolarHBondContact O-CD2 3.49Å; E228-H232 PolarHBondContact O-N 3.45Å |
| 229 | K | 92.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 51 Ų | 51 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 178.6 | -75 | -172.2 | 174.3 | -153.9 | 0 | 111.5 | H220 S223 T225 L226 T231 H232 A233 Y267 | H220-K229 PolarHBondContact CD2-O 3.15Å; H220-K229 WeakPolarHBondContact O-CE 3.48Å; H220-K229 WeakPolarHBondContact O-CG 3.34Å; S223-K229 WeakPolarHBondContact O-CE 3.33Å; T225-K229 VanDerWaalsContact O-CG 3.31Å; T225-K229 WeakPolarHBondContact O-CG 3.43Å; T225-K229 PolarHBondContact O-N 2.7Å; T225-K229 VanDerWaalsContact O-N 3.13Å; L226-K229 PolarHBondContact O-N 3.03Å; K229-T231 VanDerWaalsContact C-N 3.31Å; K229-T231 PolarHBondContact O-N 3.15Å; K229-H232 PolarHBondContact O-N 3.06Å; K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 3.02Å; K229-Y267 WeakPolarHBondContact CB-OH 3.31Å |
| 230 | K | 92.8 | Very high | 93.6 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 177 | -178.8 | 175.4 | 170.4 | 178.1 | 0 | 111.7 | L226 E227 E228 H232 A233 E234 Y267 | L226-K230 WeakPolarHBondContact O-CB 3.4Å; L226-K230 PolarHBondContact O-N 3.23Å; E227-K230 PolarHBondContact O-N 2.67Å; E228-K230 VanDerWaalsContact C-N 3.35Å; E228-K230 PolarHBondContact O-N 2.9Å; K230-H232 PolarHBondContact O-N 3.44Å; K230-A233 WeakPolarHBondContact O-CB 3.46Å; K230-A233 PolarHBondContact O-N 2.87Å; K230-E234 WeakPolarHBondContact CE-OE1 3.41Å; K230-E234 HydrophobicContact CG-CG 4.44Å; K230-E234 IonicContact NZ-OE1 3.01Å; K230-E234 WeakPolarHBondContact O-CG 3.43Å; K230-E234 PolarHBondContact O-N 3.29Å; K230-Y267 HydrophobicContact CB-CD1 3.82Å; K230-Y267 HydrophobicContact CB-CE1 4.11Å; K230-Y267 HydrophobicContact CB-CG 4.1Å; K230-Y267 HydrophobicContact CD-CD1 4.41Å; K230-Y267 HydrophobicContact CD-CG 4.48Å; K230-Y267 HydrophobicContact CG-CD1 4.11Å; K230-Y267 HydrophobicContact CG-CG 3.99Å |
| 231 | T | 96.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | E227 E228 K229 A233 E234 N235 | E227-T231 WeakPolarHBondContact O-CB 3.33Å; E227-T231 PolarHBondContact O-N 3.36Å; E227-T231 PolarHBondContact O-OG1 3.33Å; E228-T231 WeakPolarHBondContact O-CB 3.42Å; E228-T231 PolarHBondContact O-N 2.67Å; E228-T231 VanDerWaalsContact O-N 3.16Å; K229-T231 VanDerWaalsContact C-N 3.31Å; K229-T231 PolarHBondContact O-N 3.15Å; T231-A233 VanDerWaalsContact C-N 3.35Å; T231-E234 PolarHBondContact O-N 2.99Å; T231-N235 WeakPolarHBondContact O-CB 3.33Å; T231-N235 VanDerWaalsContact O-CG 3.3Å; T231-N235 PolarHBondContact O-N 3.19Å; T231-N235 PolarHBondContact O-ND2 3.06Å |
| 232 | H | 95.7 | Very high | 94.3 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 175.2 | -64.8 | -54.4 | 0 | 0 | 0 | 112.3 | Y216 V219 H220 S223 E228 K229 K230 G236 | Y216-H232 HydrophobicContact CD1-CB 4.2Å; Y216-H232 AromaticContact CD1-ND1 3.92Å; V219-H232 HydrophobicContact CG2-CB 4.11Å; H220-H232 HydrophobicContact CB-CB 4.19Å; S223-H232 PolarHBondContact OG-CD2 3.34Å; S223-H232 VanDerWaalsContact OG-CD2 3.24Å; S223-H232 PolarHBondContact OG-NE2 3.16Å; E228-H232 PolarHBondContact O-CD2 3.49Å; E228-H232 PolarHBondContact O-N 3.45Å; K229-H232 PolarHBondContact O-N 3.06Å; K230-H232 PolarHBondContact O-N 3.44Å; H232-G236 PolarHBondContact O-N 2.83Å |
| 233 | A | 92.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K229 K230 T231 K237 M260 I263 M264 Y267 | K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 3.02Å; K230-A233 WeakPolarHBondContact O-CB 3.46Å; K230-A233 PolarHBondContact O-N 2.87Å; T231-A233 VanDerWaalsContact C-N 3.35Å; A233-K237 WeakPolarHBondContact O-CB 3.5Å; A233-K237 PolarHBondContact O-N 3.23Å; A233-K237 VanDerWaalsContact O-N 3.08Å; A233-M260 VanDerWaalsContact CA-CE 3.46Å; A233-M260 HydrophobicContact CB-CE 4.44Å; A233-M260 WeakPolarHBondContact O-CE 3.09Å; A233-I263 HydrophobicContact CB-CG2 3.72Å; A233-M264 HydrophobicContact CB-SD 4.1Å; A233-Y267 HydrophobicContact CB-CD2 3.84Å; A233-Y267 HydrophobicContact CB-CE2 3.72Å |
| 234 | E | 96.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 178.5 | -72.8 | 173.6 | 167.9 | 0 | 0 | 111.4 | K230 T231 K237 A238 M264 | K230-E234 WeakPolarHBondContact CE-OE1 3.41Å; K230-E234 HydrophobicContact CG-CG 4.44Å; K230-E234 IonicContact NZ-OE1 3.01Å; K230-E234 WeakPolarHBondContact O-CG 3.43Å; K230-E234 PolarHBondContact O-N 3.29Å; T231-E234 PolarHBondContact O-N 2.99Å; E234-K237 PolarHBondContact O-N 3.25Å; E234-A238 PolarHBondContact O-N 2.64Å; E234-A238 VanDerWaalsContact O-N 3.11Å; E234-M264 HydrophobicContact CG-CE 3.67Å; E234-M264 HydrophobicContact CG-SD 3.69Å |
| 235 | N | 97.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | -179.6 | -70.6 | -26.6 | 0 | 0 | 0 | 112.3 | Y216 T231 K237 A238 V239 | Y216-N235 HydrophobicContact CD1-CB 4.05Å; Y216-N235 HydrophobicContact CE1-CB 3.5Å; Y216-N235 HydrophobicContact CE2-CB 4.31Å; T231-N235 WeakPolarHBondContact O-CB 3.33Å; T231-N235 VanDerWaalsContact O-CG 3.3Å; T231-N235 PolarHBondContact O-N 3.19Å; T231-N235 PolarHBondContact O-ND2 3.06Å; N235-K237 VanDerWaalsContact C-N 3.29Å; N235-K237 PolarHBondContact O-N 3.44Å; N235-A238 PolarHBondContact O-N 3.47Å; N235-V239 WeakPolarHBondContact O-CG2 3.47Å; N235-V239 PolarHBondContact O-N 2.75Å |
| 236 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y216 H232 V239 G240 | Y216-G236 VanDerWaalsContact CB-CA 3.49Å; H232-G236 PolarHBondContact O-N 2.83Å; G236-V239 PolarHBondContact O-N 3.21Å; G236-G240 PolarHBondContact O-N 3.47Å |
| 237 | K | 96 | Very high | 96.1 | Very high | 38 Ų | 38 | 53 Ų | 53 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.8 | -174.9 | -177.2 | 179.5 | -176.8 | 0 | 110.9 | A233 E234 N235 G240 E241 Y257 M260 M264 N276 | A233-K237 WeakPolarHBondContact O-CB 3.5Å; A233-K237 PolarHBondContact O-N 3.23Å; A233-K237 VanDerWaalsContact O-N 3.08Å; E234-K237 PolarHBondContact O-N 3.25Å; N235-K237 VanDerWaalsContact C-N 3.29Å; N235-K237 PolarHBondContact O-N 3.44Å; K237-G240 PolarHBondContact O-N 3.47Å; K237-E241 PolarHBondContact O-N 2.62Å; K237-Y257 HydrophobicContact CG-CE2 3.94Å; K237-Y257 WeakPolarHBondContact O-CE2 3.36Å; K237-M260 HydrophobicContact CB-CB 4.17Å; K237-M264 HydrophobicContact CD-CB 4.01Å; K237-M264 HydrophobicContact CD-CG 3.98Å; K237-N276 PolarHBondContact NZ-OD1 2.73Å |
| 238 | A | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 50 Ų | 50 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E234 N235 G240 E241 E242 | E234-A238 PolarHBondContact O-N 2.64Å; E234-A238 VanDerWaalsContact O-N 3.11Å; N235-A238 PolarHBondContact O-N 3.47Å; A238-G240 VanDerWaalsContact C-N 3.34Å; A238-G240 PolarHBondContact O-N 3.16Å; A238-E241 PolarHBondContact O-N 2.89Å; A238-E242 PolarHBondContact O-N 3.16Å; A238-E242 VanDerWaalsContact O-N 3.08Å |
| 239 | V | 98.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L209 L212 Y216 N235 G236 E241 E242 A243 | L209-V239 HydrophobicContact CD2-CG1 4.05Å; L212-V239 HydrophobicContact CB-CG1 4.11Å; L212-V239 HydrophobicContact CD2-CG1 3.79Å; L212-V239 HydrophobicContact CD2-CG2 4.13Å; L212-V239 HydrophobicContact CG-CG1 3.85Å; L212-V239 HydrophobicContact CG-CG2 4.43Å; Y216-V239 HydrophobicContact CD2-CG2 4.46Å; Y216-V239 HydrophobicContact CE2-CG2 3.95Å; N235-V239 WeakPolarHBondContact O-CG2 3.47Å; N235-V239 PolarHBondContact O-N 2.75Å; G236-V239 PolarHBondContact O-N 3.21Å; V239-E241 VanDerWaalsContact C-N 3.32Å; V239-E241 PolarHBondContact O-N 3.37Å; V239-E242 WeakPolarHBondContact O-CB 3.34Å; V239-E242 PolarHBondContact O-N 3Å; V239-A243 PolarHBondContact O-N 2.6Å |
| 240 | G | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T213 G236 K237 A238 A243 I244 Y257 | T213-G240 VanDerWaalsContact OG1-CA 3.3Å; T213-G240 WeakPolarHBondContact OG1-CA 3.08Å; T213-G240 PolarHBondContact OG1-N 3.43Å; G236-G240 PolarHBondContact O-N 3.47Å; K237-G240 PolarHBondContact O-N 3.47Å; A238-G240 VanDerWaalsContact C-N 3.34Å; A238-G240 PolarHBondContact O-N 3.16Å; G240-A243 WeakPolarHBondContact O-CB 3.47Å; G240-A243 PolarHBondContact O-N 2.94Å; G240-I244 WeakPolarHBondContact O-CG1 3.46Å; G240-I244 PolarHBondContact O-N 2.65Å; G240-I244 VanDerWaalsContact O-N 3.14Å; G240-Y257 VanDerWaalsContact C-CD2 3.4Å |
| 241 | E | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.5 | -169.9 | 168.4 | -168 | 0 | 0 | 111.9 | K237 A238 V239 I244 T245 Y257 | K237-E241 PolarHBondContact O-N 2.62Å; A238-E241 PolarHBondContact O-N 2.89Å; V239-E241 VanDerWaalsContact C-N 3.32Å; V239-E241 PolarHBondContact O-N 3.37Å; E241-I244 PolarHBondContact O-N 2.95Å; E241-T245 PolarHBondContact O-N 3.43Å; E241-T245 VanDerWaalsContact O-N 3.11Å; E241-T245 PolarHBondContact O-OG1 3.43Å; E241-Y257 HydrophobicContact CB-CD2 4.36Å; E241-Y257 HydrophobicContact CB-CE2 3.67Å; E241-Y257 HydrophobicContact CG-CE2 4.42Å; E241-Y257 VanDerWaalsContact N-CD2 3.35Å |
| 242 | E | 97.7 | Very high | 97 | Very high | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 171 | -176.1 | 179.4 | -162.9 | 0 | 0 | 111.2 | R199 L209 A238 V239 I244 T245 V246 | R199-E242 IonicContact CZ-OE2 2.95Å; R199-E242 IonicContact NH2-OE1 3.64Å; R199-E242 PolarHBondContact NH2-OE1 3.47Å; R199-E242 IonicContact NH2-OE2 2.64Å; R199-E242 PolarHBondContact NH2-OE2 3.42Å; L209-E242 HydrophobicContact CD1-CG 4.11Å; L209-E242 HydrophobicContact CD2-CG 4.35Å; A238-E242 PolarHBondContact O-N 3.16Å; A238-E242 VanDerWaalsContact O-N 3.08Å; V239-E242 WeakPolarHBondContact O-CB 3.34Å; V239-E242 PolarHBondContact O-N 3Å; E242-I244 VanDerWaalsContact C-N 3.27Å; E242-I244 PolarHBondContact O-N 3.37Å; E242-T245 WeakPolarHBondContact O-CB 3.47Å; E242-T245 PolarHBondContact O-N 3.49Å; E242-V246 WeakPolarHBondContact O-CG2 3.45Å; E242-V246 PolarHBondContact O-N 3.44Å |
| 243 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L209 V239 G240 N247 | L209-A243 HydrophobicContact CB-CB 3.71Å; L209-A243 HydrophobicContact CD1-CB 4.48Å; V239-A243 PolarHBondContact O-N 2.6Å; G240-A243 WeakPolarHBondContact O-CB 3.47Å; G240-A243 PolarHBondContact O-N 2.94Å; A243-N247 PolarHBondContact O-N 2.94Å; A243-N247 VanDerWaalsContact O-N 3.1Å |
| 244 | I | 97.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 173.9 | -61.3 | -59.6 | 0 | 0 | 0 | 111.1 | G240 E241 E242 V246 N247 P248 H254 Y257 | G240-I244 WeakPolarHBondContact O-CG1 3.46Å; G240-I244 PolarHBondContact O-N 2.65Å; G240-I244 VanDerWaalsContact O-N 3.14Å; E241-I244 PolarHBondContact O-N 2.95Å; E242-I244 VanDerWaalsContact C-N 3.27Å; E242-I244 PolarHBondContact O-N 3.37Å; I244-V246 VanDerWaalsContact C-N 3.3Å; I244-V246 PolarHBondContact O-N 3.37Å; I244-N247 CarbonylContact O-C 3.42Å; I244-N247 VanDerWaalsContact O-C 3.3Å; I244-N247 PolarHBondContact O-N 3.24Å; I244-P248 WeakPolarHBondContact O-CA 3.32Å; I244-P248 WeakPolarHBondContact O-CD 3.48Å; I244-P248 VanDerWaalsContact O-N 3.1Å; I244-H254 HydrophobicContact CD1-CB 4.3Å; I244-Y257 HydrophobicContact CG1-CD1 4.09Å; I244-Y257 HydrophobicContact CG1-CG 4.18Å |
| 245 | T | 97.3 | Very high | 97.4 | Very high | 117 Ų | 117 | 43.4 Ų | 43.4 | 72% | 0.718 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.8 | -40.6 | -179.3 | -56.4 | 0 | 0 | 0 | 0 | 111 | E241 E242 | E241-T245 PolarHBondContact O-N 3.43Å; E241-T245 VanDerWaalsContact O-N 3.11Å; E241-T245 PolarHBondContact O-OG1 3.43Å; E242-T245 WeakPolarHBondContact O-CB 3.47Å; E242-T245 PolarHBondContact O-N 3.49Å |
| 246 | V | 97 | Very high | 97.3 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.5 | -45.1 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | Q204 L209 E242 I244 | Q204-V246 VanDerWaalsContact O-CG1 3.26Å; Q204-V246 WeakPolarHBondContact O-CG1 3.46Å; L209-V246 HydrophobicContact CD1-CB 4.01Å; L209-V246 HydrophobicContact CD1-CG1 4.34Å; L209-V246 HydrophobicContact CD1-CG2 3.63Å; E242-V246 WeakPolarHBondContact O-CG2 3.45Å; E242-V246 PolarHBondContact O-N 3.44Å; I244-V246 VanDerWaalsContact C-N 3.3Å; I244-V246 PolarHBondContact O-N 3.37Å |
| 247 | N | 96.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | trans | -145.2 | 94 | 179.1 | -174.5 | 1.7 | 0 | 0 | 0 | 112.4 | S206 A243 I244 K249 C250 | S206-N247 WeakPolarHBondContact OG-CB 3.41Å; S206-N247 PolarHBondContact OG-ND2 3.4Å; A243-N247 PolarHBondContact O-N 2.94Å; A243-N247 VanDerWaalsContact O-N 3.1Å; I244-N247 CarbonylContact O-C 3.42Å; I244-N247 VanDerWaalsContact O-C 3.3Å; I244-N247 PolarHBondContact O-N 3.24Å; N247-K249 PolarHBondContact O-N 2.87Å; N247-K249 VanDerWaalsContact O-N 3.1Å; N247-K249 PolarHBondContact OD1-N 2.88Å; N247-C250 HydrophobicContact CB-CB 4.23Å; N247-C250 PolarHBondContact O-N 3.43Å; N247-C250 PolarHBondContact OD1-N 3.11Å | ||
| 248 | P | 96.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 40 Ų | 40 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 2.9 | 179.3 | 31 | -36.4 | 0 | 0 | 0 | 113.4 | I244 H254 | I244-P248 WeakPolarHBondContact O-CA 3.32Å; I244-P248 WeakPolarHBondContact O-CD 3.48Å; I244-P248 VanDerWaalsContact O-N 3.1Å; P248-H254 PolarHBondContact O-NE2 2.89Å; P248-H254 VanDerWaalsContact O-NE2 3.07Å |
| 249 | K | 97.1 | Very high | 96.9 | Very high | 164 Ų | 164 | 38.5 Ų | 38.5 | 71% | 0.713 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 3.5 | 175.6 | -62.3 | -177 | -178.9 | 177.2 | 0 | 112.6 | N247 | N247-K249 PolarHBondContact O-N 2.87Å; N247-K249 VanDerWaalsContact O-N 3.1Å; N247-K249 PolarHBondContact OD1-N 2.88Å |
| 250 | C | 97.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 38 Ų | 38 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | trans | -85 | 115.3 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | N247 E252 S253 H254 | N247-C250 HydrophobicContact CB-CB 4.23Å; N247-C250 PolarHBondContact O-N 3.43Å; N247-C250 PolarHBondContact OD1-N 3.11Å; C250-E252 VanDerWaalsContact C-N 3.31Å; C250-E252 PolarHBondContact O-N 3.47Å; C250-S253 WeakPolarHBondContact CB-OG 3.44Å; C250-S253 PolarHBondContact O-N 3.31Å; C250-S253 PolarHBondContact SG-N 3.4Å; C250-S253 PolarHBondContact SG-OG 2.96Å; C250-S253 VanDerWaalsContact SG-OG 3.41Å; C250-H254 PolarHBondContact O-CD2 3.47Å; C250-H254 PolarHBondContact O-N 3.33Å | ||
| 251 | A | 97.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H254 Q255 L290 K291 | A251-H254 PolarHBondContact O-N 3.1Å; A251-Q255 WeakPolarHBondContact O-CB 3.28Å; A251-Q255 PolarHBondContact O-N 3.31Å; A251-L290 HydrophobicContact CB-CB 3.71Å; A251-L290 HydrophobicContact CB-CD1 4.48Å; A251-K291 HydrophobicContact CB-CB 3.6Å; A251-K291 HydrophobicContact CB-CD 4.26Å |
| 252 | E | 97 | Very high | 95.7 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 179.5 | -68.8 | 72.8 | -164.8 | 0 | 0 | 111.7 | W210 C250 H254 Q255 W256 K291 | W210-E252 HydrophobicContact CB-CB 4.32Å; W210-E252 HydrophobicContact CD2-CB 3.62Å; W210-E252 HydrophobicContact CD2-CG 4.25Å; W210-E252 HydrophobicContact CE3-CB 4.05Å; W210-E252 HydrophobicContact CE3-CG 4.49Å; W210-E252 HydrophobicContact CG-CB 3.73Å; W210-E252 HydrophobicContact CH2-CG 4.43Å; W210-E252 HydrophobicContact CZ2-CB 4.37Å; W210-E252 HydrophobicContact CZ2-CG 4.1Å; C250-E252 VanDerWaalsContact C-N 3.31Å; C250-E252 PolarHBondContact O-N 3.47Å; E252-H254 PolarHBondContact O-N 3.35Å; E252-Q255 PolarHBondContact O-N 3.3Å; E252-W256 PolarHBondContact O-N 3.41Å; E252-K291 IonicContact OE1-NZ 3.28Å; E252-K291 PolarHBondContact OE1-NZ 3.31Å |
| 253 | S | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | C250 Y257 | C250-S253 WeakPolarHBondContact CB-OG 3.44Å; C250-S253 PolarHBondContact O-N 3.31Å; C250-S253 PolarHBondContact SG-N 3.4Å; C250-S253 PolarHBondContact SG-OG 2.96Å; C250-S253 VanDerWaalsContact SG-OG 3.41Å; S253-Y257 WeakPolarHBondContact O-CB 3.48Å; S253-Y257 PolarHBondContact O-N 3.48Å |
| 254 | H | 98.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 6% | 0.06 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 175.8 | -85.8 | -83.1 | 0 | 0 | 0 | 112.3 | I244 P248 C250 A251 E252 A258 H283 A287 | I244-H254 HydrophobicContact CD1-CB 4.3Å; P248-H254 PolarHBondContact O-NE2 2.89Å; P248-H254 VanDerWaalsContact O-NE2 3.07Å; C250-H254 PolarHBondContact O-CD2 3.47Å; C250-H254 PolarHBondContact O-N 3.33Å; A251-H254 PolarHBondContact O-N 3.1Å; E252-H254 PolarHBondContact O-N 3.35Å; H254-A258 WeakPolarHBondContact O-CB 3.46Å; H254-A258 PolarHBondContact O-N 3.35Å; H254-H283 WeakPolarHBondContact CB-O 3.49Å; H254-H283 AromaticContact CE1-CE1 3.84Å; H254-H283 AromaticContact CE1-ND1 3.37Å; H254-H283 PolarHBondContact CE1-ND1 3.24Å; H254-H283 AromaticContact CG-ND1 3.89Å; H254-H283 AromaticContact ND1-CE1 3.8Å; H254-H283 AromaticContact ND1-CG 3.64Å; H254-H283 AromaticContact ND1-ND1 2.9Å; H254-H283 PolarHBondContact ND1-ND1 3.24Å; H254-A287 HydrophobicContact CB-CB 3.94Å |
| 255 | Q | 95.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -51.3 | 179.4 | 176.7 | 173.4 | 68.5 | 0 | 0 | 112.1 | A251 E252 A258 I259 A287 D294 S297 | A251-Q255 WeakPolarHBondContact O-CB 3.28Å; A251-Q255 PolarHBondContact O-N 3.31Å; E252-Q255 PolarHBondContact O-N 3.3Å; Q255-A258 PolarHBondContact O-N 3.45Å; Q255-I259 HydrophobicContact CG-CD1 3.93Å; Q255-I259 VanDerWaalsContact O-CG1 3.3Å; Q255-I259 WeakPolarHBondContact O-CG1 3.37Å; Q255-I259 PolarHBondContact O-N 3.33Å; Q255-A287 HydrophobicContact CB-CB 4.13Å; Q255-D294 PolarHBondContact NE2-OD2 3.29Å; Q255-S297 PolarHBondContact NE2-OG 3.09Å |
| 256 | W | 96.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 8% | 0.08 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.7 | -34.1 | -176.9 | -71.7 | 111.4 | 0 | 0 | 0 | 112.4 | W210 T213 R214 C217 E252 I259 M260 | W210-W256 AromaticContact CE3-CD1 3.66Å; W210-W256 AromaticContact CE3-NE1 3.73Å; W210-W256 AromaticContact CZ3-NE1 3.95Å; T213-W256 HydrophobicContact CG2-CB 3.76Å; R214-W256 HydrophobicContact CB-CD2 3.68Å; R214-W256 HydrophobicContact CB-CE3 3.96Å; R214-W256 HydrophobicContact CB-CG 4.08Å; R214-W256 HydrophobicContact CB-CZ2 4.28Å; R214-W256 HydrophobicContact CB-CZ3 4.37Å; R214-W256 HydrophobicContact CG-CD2 3.77Å; R214-W256 HydrophobicContact CG-CE3 3.87Å; R214-W256 HydrophobicContact CG-CH2 3.6Å; R214-W256 HydrophobicContact CG-CZ2 3.46Å; R214-W256 VanDerWaalsContact CG-CZ2 3.46Å; R214-W256 HydrophobicContact CG-CZ3 3.78Å; C217-W256 HydrophobicContact CB-CZ3 4.27Å; E252-W256 PolarHBondContact O-N 3.41Å; W256-I259 HydrophobicContact CD2-CD1 4.13Å; W256-I259 HydrophobicContact CE3-CB 4.31Å; W256-I259 HydrophobicContact CE3-CD1 3.55Å; W256-I259 HydrophobicContact CE3-CG2 4.32Å; W256-I259 HydrophobicContact CH2-CD1 4.1Å; W256-I259 HydrophobicContact CZ3-CD1 3.54Å; W256-I259 HydrophobicContact CZ3-CG2 4.32Å; W256-I259 PolarHBondContact O-N 3.25Å; W256-M260 WeakPolarHBondContact O-CG 3.42Å; W256-M260 PolarHBondContact O-N 2.95Å |
| 257 | Y | 97.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 31 Ų | 31 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 172 | -178.2 | -118.6 | 0 | 0 | 0 | 112.3 | K237 G240 E241 I244 S253 M260 C261 I279 H283 | K237-Y257 HydrophobicContact CG-CE2 3.94Å; K237-Y257 WeakPolarHBondContact O-CE2 3.36Å; G240-Y257 VanDerWaalsContact C-CD2 3.4Å; E241-Y257 HydrophobicContact CB-CD2 4.36Å; E241-Y257 HydrophobicContact CB-CE2 3.67Å; E241-Y257 HydrophobicContact CG-CE2 4.42Å; E241-Y257 VanDerWaalsContact N-CD2 3.35Å; I244-Y257 HydrophobicContact CG1-CD1 4.09Å; I244-Y257 HydrophobicContact CG1-CG 4.18Å; S253-Y257 WeakPolarHBondContact O-CB 3.48Å; S253-Y257 PolarHBondContact O-N 3.48Å; Y257-M260 PolarHBondContact O-N 3.02Å; Y257-C261 PolarHBondContact O-N 2.99Å; Y257-C261 PolarHBondContact O-SG 3.45Å; Y257-I279 HydrophobicContact CD1-CG2 4.36Å; Y257-I279 HydrophobicContact CE1-CG2 3.58Å; Y257-H283 AromaticContact CD1-CD2 3.78Å; Y257-H283 AromaticContact CD1-CE1 3.58Å; Y257-H283 AromaticContact CD1-CG 3.72Å; Y257-H283 AromaticContact CD1-ND1 3.59Å; Y257-H283 AromaticContact CD1-NE2 3.7Å; Y257-H283 AromaticContact CE1-CD2 3.81Å; Y257-H283 AromaticContact CE1-CE1 3.76Å; Y257-H283 AromaticContact CE1-NE2 3.5Å; Y257-H283 WeakPolarHBondContact CE1-NE2 3.26Å |
| 258 | A | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H254 Q255 M260 C261 G262 F280 H283 L284 | H254-A258 WeakPolarHBondContact O-CB 3.46Å; H254-A258 PolarHBondContact O-N 3.35Å; Q255-A258 PolarHBondContact O-N 3.45Å; A258-M260 VanDerWaalsContact C-N 3.32Å; A258-M260 PolarHBondContact O-N 3.11Å; A258-C261 WeakPolarHBondContact O-CB 3.47Å; A258-C261 PolarHBondContact O-N 2.89Å; A258-G262 PolarHBondContact O-N 2.99Å; A258-F280 HydrophobicContact CB-CD2 4.29Å; A258-F280 WeakPolarHBondContact O-CD2 3.47Å; A258-H283 HydrophobicContact CB-CB 4.03Å; A258-L284 HydrophobicContact CB-CB 4.36Å |
| 259 | I | 92.5 | Very high | 90.1 | Very high | 27 Ų | 27 | 29 Ų | 29 | 14% | 0.138 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.4 | -46.7 | 176.9 | -68.4 | 165.3 | 0 | 0 | 0 | 111.1 | Q255 W256 C261 G262 I263 L300 | Q255-I259 HydrophobicContact CG-CD1 3.93Å; Q255-I259 VanDerWaalsContact O-CG1 3.3Å; Q255-I259 WeakPolarHBondContact O-CG1 3.37Å; Q255-I259 PolarHBondContact O-N 3.33Å; W256-I259 HydrophobicContact CD2-CD1 4.13Å; W256-I259 HydrophobicContact CE3-CB 4.31Å; W256-I259 HydrophobicContact CE3-CD1 3.55Å; W256-I259 HydrophobicContact CE3-CG2 4.32Å; W256-I259 HydrophobicContact CH2-CD1 4.1Å; W256-I259 HydrophobicContact CZ3-CD1 3.54Å; W256-I259 HydrophobicContact CZ3-CG2 4.32Å; W256-I259 PolarHBondContact O-N 3.25Å; I259-C261 VanDerWaalsContact C-N 3.34Å; I259-C261 PolarHBondContact O-N 2.93Å; I259-G262 WeakPolarHBondContact O-CA 3.41Å; I259-G262 PolarHBondContact O-N 3.33Å; I259-G262 VanDerWaalsContact O-N 3.09Å; I259-I263 HydrophobicContact CG2-CD1 4Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3.45Å; I259-L300 HydrophobicContact CD1-CD1 3.85Å; I259-L300 HydrophobicContact CG1-CD1 3.65Å |
| 260 | M | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 177.1 | -71.6 | -54.5 | -54.6 | 0 | 0 | 113.1 | T213 C217 A233 K237 W256 Y257 A258 G262 I263 M264 | T213-M260 HydrophobicContact CG2-CG 3.56Å; C217-M260 HydrophobicContact CB-SD 4.34Å; C217-M260 PolarHBondContact SG-SD 2.99Å; A233-M260 VanDerWaalsContact CA-CE 3.46Å; A233-M260 HydrophobicContact CB-CE 4.44Å; A233-M260 WeakPolarHBondContact O-CE 3.09Å; K237-M260 HydrophobicContact CB-CB 4.17Å; W256-M260 WeakPolarHBondContact O-CG 3.42Å; W256-M260 PolarHBondContact O-N 2.95Å; Y257-M260 PolarHBondContact O-N 3.02Å; A258-M260 VanDerWaalsContact C-N 3.32Å; A258-M260 PolarHBondContact O-N 3.11Å; M260-G262 VanDerWaalsContact C-N 3.31Å; M260-G262 PolarHBondContact O-N 3.14Å; M260-I263 PolarHBondContact O-N 3.36Å; M260-I263 HydrophobicContact SD-CD1 4.04Å; M260-M264 WeakPolarHBondContact O-CB 3.04Å; M260-M264 PolarHBondContact O-N 3.28Å |
| 261 | C | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 172.2 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | Y257 A258 I259 M264 A265 N276 I279 | Y257-C261 PolarHBondContact O-N 2.99Å; Y257-C261 PolarHBondContact O-SG 3.45Å; A258-C261 WeakPolarHBondContact O-CB 3.47Å; A258-C261 PolarHBondContact O-N 2.89Å; I259-C261 VanDerWaalsContact C-N 3.34Å; I259-C261 PolarHBondContact O-N 2.93Å; C261-M264 PolarHBondContact O-N 3Å; C261-A265 PolarHBondContact O-N 3.32Å; C261-A265 VanDerWaalsContact O-N 3.13Å; C261-N276 HydrophobicContact CB-CB 4.29Å; C261-N276 WeakPolarHBondContact O-CB 3.44Å; C261-I279 HydrophobicContact CB-CG2 4.49Å |
| 262 | G | 85.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 29.1 Ų | 29.1 | 31% | 0.309 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A258 I259 M260 A265 | A258-G262 PolarHBondContact O-N 2.99Å; I259-G262 WeakPolarHBondContact O-CA 3.41Å; I259-G262 PolarHBondContact O-N 3.33Å; I259-G262 VanDerWaalsContact O-N 3.09Å; M260-G262 VanDerWaalsContact C-N 3.31Å; M260-G262 PolarHBondContact O-N 3.14Å; G262-A265 WeakPolarHBondContact O-CB 3.12Å; G262-A265 PolarHBondContact O-N 3Å |
| 263 | I | 86.7 | Confident | 85.4 | Confident | 20 Ų | 20 | 29 Ų | 29 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 176.4 | -66.5 | 169.4 | 0 | 0 | 0 | 110.7 | C217 H220 A233 I259 M260 A265 E266 Y267 | C217-I263 HydrophobicContact CB-CD1 4.33Å; H220-I263 WeakPolarHBondContact NE2-CG2 3.22Å; A233-I263 HydrophobicContact CB-CG2 3.72Å; I259-I263 HydrophobicContact CG2-CD1 4Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3.45Å; M260-I263 PolarHBondContact O-N 3.36Å; M260-I263 HydrophobicContact SD-CD1 4.04Å; I263-A265 PolarHBondContact O-N 2.8Å; I263-E266 WeakPolarHBondContact O-CB 3.25Å; I263-E266 PolarHBondContact O-N 2.77Å; I263-Y267 HydrophobicContact CG2-CE2 4.08Å |
| 264 | M | 86.1 | Confident | 84.3 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -29.8 | -178.1 | -167.7 | 61.7 | -150.6 | 0 | 0 | 112.5 | A233 E234 K237 M260 C261 E266 Y267 D268 | A233-M264 HydrophobicContact CB-SD 4.1Å; E234-M264 HydrophobicContact CG-CE 3.67Å; E234-M264 HydrophobicContact CG-SD 3.69Å; K237-M264 HydrophobicContact CD-CB 4.01Å; K237-M264 HydrophobicContact CD-CG 3.98Å; M260-M264 WeakPolarHBondContact O-CB 3.04Å; M260-M264 PolarHBondContact O-N 3.28Å; C261-M264 PolarHBondContact O-N 3Å; M264-E266 PolarHBondContact O-N 2.8Å; M264-E266 VanDerWaalsContact O-N 3.08Å; M264-Y267 PolarHBondContact O-N 2.79Å; M264-Y267 HydrophobicContact SD-CD2 4.46Å; M264-D268 WeakPolarHBondContact CG-OD2 3.47Å; M264-D268 WeakPolarHBondContact O-CB 3.37Å; M264-D268 PolarHBondContact O-N 2.69Å |
| 265 | A | 79.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -13.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C261 G262 I263 K273 N276 | C261-A265 PolarHBondContact O-N 3.32Å; C261-A265 VanDerWaalsContact O-N 3.13Å; G262-A265 WeakPolarHBondContact O-CB 3.12Å; G262-A265 PolarHBondContact O-N 3Å; I263-A265 PolarHBondContact O-N 2.8Å; A265-K273 HydrophobicContact CB-CB 4.18Å; A265-K273 HydrophobicContact CB-CG 4.21Å; A265-K273 WeakPolarHBondContact O-CD 3.44Å; A265-K273 WeakPolarHBondContact O-CE 3.12Å; A265-K273 WeakPolarHBondContact O-CG 3.25Å; A265-K273 PolarHBondContact O-NZ 3.06Å; A265-N276 HydrophobicContact CB-CB 4.28Å |
| 266 | E | 77.8 | Confident | 82.8 | Confident | 88 Ų | 88 | 34.9 Ų | 34.9 | 41% | 0.411 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.3 | -36.8 | 172.2 | -64.2 | -174.8 | -171.1 | 0 | 0 | 112 | I263 M264 K273 | I263-E266 WeakPolarHBondContact O-CB 3.25Å; I263-E266 PolarHBondContact O-N 2.77Å; M264-E266 PolarHBondContact O-N 2.8Å; M264-E266 VanDerWaalsContact O-N 3.08Å; E266-K273 PolarHBondContact O-NZ 3.33Å; E266-K273 VanDerWaalsContact O-NZ 3.09Å |
| 267 | Y | 82.8 | Confident | 82.2 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -95.2 | -10.5 | -172.1 | -53.3 | -70.7 | 0 | 0 | 0 | 114.1 | H220 L226 K229 K230 A233 I263 M264 | H220-Y267 AromaticContact NE2-CE2 3.73Å; H220-Y267 AromaticContact NE2-CZ 3.66Å; H220-Y267 PolarHBondContact NE2-OH 3.21Å; L226-Y267 HydrophobicContact CD1-CD1 4.43Å; L226-Y267 HydrophobicContact CD1-CE1 3.7Å; L226-Y267 HydrophobicContact CG-CE1 4.42Å; K229-Y267 WeakPolarHBondContact CB-OH 3.31Å; K230-Y267 HydrophobicContact CB-CD1 3.82Å; K230-Y267 HydrophobicContact CB-CE1 4.11Å; K230-Y267 HydrophobicContact CB-CG 4.1Å; K230-Y267 HydrophobicContact CD-CD1 4.41Å; K230-Y267 HydrophobicContact CD-CG 4.48Å; K230-Y267 HydrophobicContact CG-CD1 4.11Å; K230-Y267 HydrophobicContact CG-CG 3.99Å; A233-Y267 HydrophobicContact CB-CD2 3.84Å; A233-Y267 HydrophobicContact CB-CE2 3.72Å; I263-Y267 HydrophobicContact CG2-CE2 4.08Å; M264-Y267 PolarHBondContact O-N 2.79Å; M264-Y267 HydrophobicContact SD-CD2 4.46Å |
| 268 | D | 76.1 | Confident | 81.5 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.8 | 162.8 | -169.9 | -105.3 | -36 | 0 | 0 | 0 | 114 | M264 N272 K273 N276 | M264-D268 WeakPolarHBondContact CG-OD2 3.47Å; M264-D268 WeakPolarHBondContact O-CB 3.37Å; M264-D268 PolarHBondContact O-N 2.69Å; D268-N272 HydrophobicContact CB-CB 3.55Å; D268-N272 WeakPolarHBondContact OD1-CB 3.49Å; D268-N272 PolarHBondContact OD1-ND2 2.9Å; D268-N272 WeakPolarHBondContact OD2-CB 3.34Å; D268-K273 HydrophobicContact CB-CG 4.19Å; D268-K273 WeakPolarHBondContact O-CE 3.36Å; D268-N276 PolarHBondContact OD2-ND2 2.72Å |
| 269 | S | 73.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | trans | -64.3 | 155 | 167.5 | 78.7 | 0 | 0 | 0 | 0 | 110.7 | Q271 N272 K273 | S269-Q271 PolarHBondContact O-N 3.45Å; S269-N272 WeakPolarHBondContact O-CA 3.21Å; S269-N272 PolarHBondContact O-N 3.1Å; S269-N272 PolarHBondContact OG-N 3.11Å; S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 2.87Å | ||
| 270 | I | 69.7 | Low | 81.2 | Confident | 84 Ų | 84 | 38.2 Ų | 38.2 | 43% | 0.431 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -48.6 | -41.6 | -179.9 | -65.2 | 174.8 | 0 | 0 | 0 | 112.3 | L14 V17 K273 I274 | L14-I270 HydrophobicContact CD2-CD1 4.19Å; V17-I270 HydrophobicContact CG1-CG2 4.06Å; V17-I270 HydrophobicContact CG2-CG2 4.06Å; I270-K273 WeakPolarHBondContact O-CB 3.47Å; I270-K273 PolarHBondContact O-N 3.44Å; I270-I274 HydrophobicContact CG2-CD1 4.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.5Å; I270-I274 PolarHBondContact O-N 3.45Å; I270-I274 VanDerWaalsContact O-N 3.11Å |
| 271 | Q | 67.6 | Low | 81 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 175.3 | 167.2 | -169.2 | 48.8 | 0 | 0 | 112.1 | E67 R71 S269 K273 I274 K275 F323 | E67-Q271 PolarHBondContact OE1-NE2 2.91Å; E67-Q271 PolarHBondContact OE1-OE1 3.43Å; R71-Q271 VanDerWaalsContact NH1-CB 3.3Å; R71-Q271 VanDerWaalsContact NH2-NE2 3.2Å; S269-Q271 PolarHBondContact O-N 3.45Å; Q271-K273 PolarHBondContact O-N 3.07Å; Q271-I274 WeakPolarHBondContact O-CB 3.42Å; Q271-I274 PolarHBondContact O-N 2.82Å; Q271-I274 VanDerWaalsContact O-N 3.1Å; Q271-K275 PolarHBondContact O-N 2.96Å; Q271-F323 HydrophobicContact CB-CD1 4.37Å; Q271-F323 HydrophobicContact CB-CE1 3.38Å; Q271-F323 HydrophobicContact CB-CZ 3.7Å; Q271-F323 HydrophobicContact CG-CD1 3.99Å; Q271-F323 HydrophobicContact CG-CE1 3.38Å; Q271-F323 HydrophobicContact CG-CZ 4.22Å |
| 272 | N | 77.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.1 | -32.6 | -179.7 | -75.2 | -4.9 | 0 | 0 | 0 | 111.2 | D268 S269 I274 K275 N276 | D268-N272 HydrophobicContact CB-CB 3.55Å; D268-N272 WeakPolarHBondContact OD1-CB 3.49Å; D268-N272 PolarHBondContact OD1-ND2 2.9Å; D268-N272 WeakPolarHBondContact OD2-CB 3.34Å; S269-N272 WeakPolarHBondContact O-CA 3.21Å; S269-N272 PolarHBondContact O-N 3.1Å; S269-N272 PolarHBondContact OG-N 3.11Å; N272-I274 VanDerWaalsContact C-N 3.31Å; N272-I274 PolarHBondContact O-N 3.38Å; N272-K275 PolarHBondContact O-N 3.28Å; N272-N276 VanDerWaalsContact O-CB 3.25Å; N272-N276 WeakPolarHBondContact O-CB 3.49Å; N272-N276 PolarHBondContact O-N 2.8Å; N272-N276 PolarHBondContact O-ND2 3.34Å |
| 273 | K | 76.4 | Confident | 81.5 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 171.2 | -56.3 | -167.4 | -176.1 | -136.7 | 0 | 111.7 | V17 A265 E266 D268 S269 I270 Q271 G277 | V17-K273 HydrophobicContact CG1-CB 4.01Å; A265-K273 HydrophobicContact CB-CB 4.18Å; A265-K273 HydrophobicContact CB-CG 4.21Å; A265-K273 WeakPolarHBondContact O-CD 3.44Å; A265-K273 WeakPolarHBondContact O-CE 3.12Å; A265-K273 WeakPolarHBondContact O-CG 3.25Å; A265-K273 PolarHBondContact O-NZ 3.06Å; E266-K273 PolarHBondContact O-NZ 3.33Å; E266-K273 VanDerWaalsContact O-NZ 3.09Å; D268-K273 HydrophobicContact CB-CG 4.19Å; D268-K273 WeakPolarHBondContact O-CE 3.36Å; S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 2.87Å; I270-K273 WeakPolarHBondContact O-CB 3.47Å; I270-K273 PolarHBondContact O-N 3.44Å; Q271-K273 PolarHBondContact O-N 3.07Å; K273-G277 PolarHBondContact O-N 3.41Å |
| 274 | I | 74 | Confident | 81.9 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -50.9 | 178.2 | -69.6 | 169.5 | 0 | 0 | 0 | 110 | V17 I270 Q271 N272 N276 G277 Y278 A319 F323 | V17-I274 HydrophobicContact CB-CG1 4.47Å; V17-I274 HydrophobicContact CG1-CB 4.42Å; V17-I274 HydrophobicContact CG1-CD1 3.55Å; V17-I274 HydrophobicContact CG1-CG1 3.11Å; V17-I274 HydrophobicContact CG2-CD1 4.47Å; I270-I274 HydrophobicContact CG2-CD1 4.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.5Å; I270-I274 PolarHBondContact O-N 3.45Å; I270-I274 VanDerWaalsContact O-N 3.11Å; Q271-I274 WeakPolarHBondContact O-CB 3.42Å; Q271-I274 PolarHBondContact O-N 2.82Å; Q271-I274 VanDerWaalsContact O-N 3.1Å; N272-I274 VanDerWaalsContact C-N 3.31Å; N272-I274 PolarHBondContact O-N 3.38Å; I274-N276 VanDerWaalsContact C-N 3.32Å; I274-N276 PolarHBondContact O-N 3.26Å; I274-G277 WeakPolarHBondContact O-CA 3.47Å; I274-G277 PolarHBondContact O-N 2.72Å; I274-Y278 HydrophobicContact CG2-CD2 4.05Å; I274-Y278 HydrophobicContact CG2-CE2 3.56Å; I274-Y278 WeakPolarHBondContact O-CD2 3.36Å; I274-Y278 PolarHBondContact O-N 3.49Å; I274-Y278 VanDerWaalsContact O-N 3.15Å; I274-A319 HydrophobicContact CD1-CB 4.38Å; I274-F323 HydrophobicContact CB-CD2 4.24Å; I274-F323 HydrophobicContact CB-CG 4.31Å; I274-F323 HydrophobicContact CD1-CD2 3.17Å; I274-F323 HydrophobicContact CD1-CE2 3.12Å; I274-F323 HydrophobicContact CD1-CG 4.08Å; I274-F323 HydrophobicContact CD1-CZ 4.01Å; I274-F323 HydrophobicContact CG1-CD2 4.21Å; I274-F323 HydrophobicContact CG1-CE2 4.35Å; I274-F323 HydrophobicContact CG2-CB 3.78Å; I274-F323 HydrophobicContact CG2-CD2 3.95Å; I274-F323 HydrophobicContact CG2-CG 3.82Å |
| 275 | K | 79.6 | Confident | 82.4 | Confident | 130 Ų | 130 | 46.3 Ų | 46.3 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -54.8 | -48.4 | 176.3 | -174.1 | -178.9 | 177.4 | -176.4 | 0 | 111.5 | Q271 N272 G277 Y278 I279 | Q271-K275 PolarHBondContact O-N 2.96Å; N272-K275 PolarHBondContact O-N 3.28Å; K275-G277 PolarHBondContact O-N 3.46Å; K275-Y278 PolarHBondContact O-N 3.22Å; K275-I279 HydrophobicContact CG-CD1 4.05Å; K275-I279 WeakPolarHBondContact O-CG1 3.24Å; K275-I279 PolarHBondContact O-N 3.12Å; K275-I279 VanDerWaalsContact O-N 3.1Å |
| 276 | N | 83.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -31.4 | 176.7 | -69.7 | -17.4 | 0 | 0 | 0 | 111.7 | K237 C261 A265 D268 N272 I274 I279 F280 | K237-N276 PolarHBondContact NZ-OD1 2.73Å; C261-N276 HydrophobicContact CB-CB 4.29Å; C261-N276 WeakPolarHBondContact O-CB 3.44Å; A265-N276 HydrophobicContact CB-CB 4.28Å; D268-N276 PolarHBondContact OD2-ND2 2.72Å; N272-N276 VanDerWaalsContact O-CB 3.25Å; N272-N276 WeakPolarHBondContact O-CB 3.49Å; N272-N276 PolarHBondContact O-N 2.8Å; N272-N276 PolarHBondContact O-ND2 3.34Å; I274-N276 VanDerWaalsContact C-N 3.32Å; I274-N276 PolarHBondContact O-N 3.26Å; N276-I279 PolarHBondContact O-N 3.33Å; N276-F280 WeakPolarHBondContact O-CB 3.48Å; N276-F280 PolarHBondContact O-N 3.48Å |
| 277 | G | 82.6 | Confident | 84.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K273 I274 K275 K281 W304 | K273-G277 PolarHBondContact O-N 3.41Å; I274-G277 WeakPolarHBondContact O-CA 3.47Å; I274-G277 PolarHBondContact O-N 2.72Å; K275-G277 PolarHBondContact O-N 3.46Å; G277-K281 PolarHBondContact O-N 3.42Å; G277-W304 PolarHBondContact O-NE1 3.34Å |
| 278 | Y | 82.9 | Confident | 84.8 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -50.6 | 171.1 | -72.1 | -85.6 | 0 | 0 | 0 | 111.2 | I274 K275 F280 K281 D282 G324 E325 P326 P327 | I274-Y278 HydrophobicContact CG2-CD2 4.05Å; I274-Y278 HydrophobicContact CG2-CE2 3.56Å; I274-Y278 WeakPolarHBondContact O-CD2 3.36Å; I274-Y278 PolarHBondContact O-N 3.49Å; I274-Y278 VanDerWaalsContact O-N 3.15Å; K275-Y278 PolarHBondContact O-N 3.22Å; Y278-F280 VanDerWaalsContact C-N 3.26Å; Y278-F280 PolarHBondContact O-N 2.94Å; Y278-K281 PolarHBondContact O-N 3.12Å; Y278-D282 PolarHBondContact O-N 3.11Å; Y278-G324 PolarHBondContact OH-O 3.45Å; Y278-E325 PolarHBondContact OH-O 2.92Å; Y278-P326 VanDerWaalsContact OH-CA 3.25Å; Y278-P326 WeakPolarHBondContact OH-CA 3.43Å; Y278-P327 HydrophobicContact CD1-CG 3.53Å; Y278-P327 HydrophobicContact CE1-CG 3.34Å; Y278-P327 HydrophobicContact CG-CG 4.27Å; Y278-P327 VanDerWaalsContact CZ-CD 3.48Å |
| 279 | I | 89.2 | Confident | 85.9 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.2 | -43.4 | 178.8 | -63.6 | 168.6 | 0 | 0 | 0 | 110.5 | Y257 C261 K275 N276 K281 D282 H283 | Y257-I279 HydrophobicContact CD1-CG2 4.36Å; Y257-I279 HydrophobicContact CE1-CG2 3.58Å; C261-I279 HydrophobicContact CB-CG2 4.49Å; K275-I279 HydrophobicContact CG-CD1 4.05Å; K275-I279 WeakPolarHBondContact O-CG1 3.24Å; K275-I279 PolarHBondContact O-N 3.12Å; K275-I279 VanDerWaalsContact O-N 3.1Å; N276-I279 PolarHBondContact O-N 3.33Å; I279-K281 VanDerWaalsContact C-N 3.34Å; I279-K281 PolarHBondContact O-N 3.22Å; I279-D282 PolarHBondContact O-N 2.87Å; I279-H283 WeakPolarHBondContact O-CB 3.47Å; I279-H283 PolarHBondContact O-CD2 3.31Å; I279-H283 VanDerWaalsContact O-CD2 3.26Å; I279-H283 PolarHBondContact O-N 3.18Å |
| 280 | F | 89.7 | Confident | 87.1 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53 | -52.2 | 174.7 | 179.2 | -79.7 | 0 | 0 | 0 | 111.1 | A258 N276 Y278 L284 L300 W304 | A258-F280 HydrophobicContact CB-CD2 4.29Å; A258-F280 WeakPolarHBondContact O-CD2 3.47Å; N276-F280 WeakPolarHBondContact O-CB 3.48Å; N276-F280 PolarHBondContact O-N 3.48Å; Y278-F280 VanDerWaalsContact C-N 3.26Å; Y278-F280 PolarHBondContact O-N 2.94Å; F280-L284 HydrophobicContact CD1-CD2 4.34Å; F280-L284 HydrophobicContact CE1-CD2 3.55Å; F280-L284 HydrophobicContact CZ-CD2 4.03Å; F280-L284 WeakPolarHBondContact O-CB 3.15Å; F280-L284 PolarHBondContact O-N 3.41Å; F280-L300 HydrophobicContact CZ-CB 4.13Å; F280-W304 HydrophobicContact CD1-CB 4.39Å; F280-W304 AromaticContact CD1-CD1 3.58Å; F280-W304 HydrophobicContact CD1-CG 4.17Å; F280-W304 HydrophobicContact CE1-CB 3.92Å; F280-W304 AromaticContact CE1-CD1 3.97Å; F280-W304 HydrophobicContact CE1-CG 4.19Å |
| 281 | K | 89.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -49.2 | -177.8 | -172.7 | -160.9 | 177.3 | -72 | 0 | 111.2 | G277 Y278 I279 H283 L284 D285 W304 P327 | G277-K281 PolarHBondContact O-N 3.42Å; Y278-K281 PolarHBondContact O-N 3.12Å; I279-K281 VanDerWaalsContact C-N 3.34Å; I279-K281 PolarHBondContact O-N 3.22Å; K281-H283 PolarHBondContact O-N 2.81Å; K281-L284 PolarHBondContact O-N 3.47Å; K281-D285 IonicContact NZ-OD2 3.33Å; K281-D285 PolarHBondContact NZ-OD2 3.29Å; K281-D285 WeakPolarHBondContact O-CB 3.39Å; K281-D285 PolarHBondContact O-N 3.38Å; K281-W304 HydrophobicContact CB-CZ2 4.05Å; K281-W304 HydrophobicContact CD-CH2 3.49Å; K281-W304 VanDerWaalsContact CD-CH2 3.49Å; K281-W304 HydrophobicContact CD-CZ2 3.58Å; K281-W304 HydrophobicContact CD-CZ3 4.05Å; K281-W304 HydrophobicContact CG-CD2 4.44Å; K281-W304 HydrophobicContact CG-CE3 4.5Å; K281-W304 HydrophobicContact CG-CH2 4.12Å; K281-W304 HydrophobicContact CG-CZ2 3.98Å; K281-W304 HydrophobicContact CG-CZ3 4.35Å; K281-P327 HydrophobicContact CD-CB 4.43Å |
| 282 | D | 92.6 | Very high | 89.8 | Confident | 97 Ų | 97 | 50.2 Ų | 50.2 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -44.6 | -175.9 | -68 | -12.3 | 0 | 0 | 0 | 111.7 | Y278 I279 K286 | Y278-D282 PolarHBondContact O-N 3.11Å; I279-D282 PolarHBondContact O-N 2.87Å; D282-K286 PolarHBondContact O-N 3.1Å |
| 283 | H | 95.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -34 | 177.1 | -77.8 | -94.2 | 0 | 0 | 0 | 112.3 | H254 Y257 A258 I279 K281 K286 A287 | H254-H283 WeakPolarHBondContact CB-O 3.49Å; H254-H283 AromaticContact CE1-CE1 3.84Å; H254-H283 AromaticContact CE1-ND1 3.37Å; H254-H283 PolarHBondContact CE1-ND1 3.24Å; H254-H283 AromaticContact CG-ND1 3.89Å; H254-H283 AromaticContact ND1-CE1 3.8Å; H254-H283 AromaticContact ND1-CG 3.64Å; H254-H283 AromaticContact ND1-ND1 2.9Å; H254-H283 PolarHBondContact ND1-ND1 3.24Å; Y257-H283 AromaticContact CD1-CD2 3.78Å; Y257-H283 AromaticContact CD1-CE1 3.58Å; Y257-H283 AromaticContact CD1-CG 3.72Å; Y257-H283 AromaticContact CD1-ND1 3.59Å; Y257-H283 AromaticContact CD1-NE2 3.7Å; Y257-H283 AromaticContact CE1-CD2 3.81Å; Y257-H283 AromaticContact CE1-CE1 3.76Å; Y257-H283 AromaticContact CE1-NE2 3.5Å; Y257-H283 WeakPolarHBondContact CE1-NE2 3.26Å; A258-H283 HydrophobicContact CB-CB 4.03Å; I279-H283 WeakPolarHBondContact O-CB 3.47Å; I279-H283 PolarHBondContact O-CD2 3.31Å; I279-H283 VanDerWaalsContact O-CD2 3.26Å; I279-H283 PolarHBondContact O-N 3.18Å; K281-H283 PolarHBondContact O-N 2.81Å; H283-K286 PolarHBondContact O-N 3.09Å; H283-A287 PolarHBondContact O-N 3.28Å |
| 284 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.8 | -41.2 | 177.1 | -169.1 | 62.9 | 0 | 0 | 0 | 112.2 | A258 F280 K281 K286 A287 I288 L300 L301 | A258-L284 HydrophobicContact CB-CB 4.36Å; F280-L284 HydrophobicContact CD1-CD2 4.34Å; F280-L284 HydrophobicContact CE1-CD2 3.55Å; F280-L284 HydrophobicContact CZ-CD2 4.03Å; F280-L284 WeakPolarHBondContact O-CB 3.15Å; F280-L284 PolarHBondContact O-N 3.41Å; K281-L284 PolarHBondContact O-N 3.47Å; L284-K286 PolarHBondContact O-N 3.47Å; L284-A287 WeakPolarHBondContact O-CB 3.36Å; L284-A287 PolarHBondContact O-N 3.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 3.21Å; L284-L300 HydrophobicContact CD1-CB 4.18Å; L284-L300 HydrophobicContact CD1-CD1 4.23Å; L284-L300 HydrophobicContact CD2-CB 3.64Å; L284-L301 HydrophobicContact CD2-CB 3.72Å; L284-L301 HydrophobicContact CD2-CD1 4.38Å; L284-L301 VanDerWaalsContact CD2-N 3.33Å; L284-L301 HydrophobicContact CG-CB 4.44Å |
| 285 | D | 95.9 | Very high | 92.5 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 171.4 | -74.9 | -20.7 | 0 | 0 | 0 | 110 | K281 A287 I288 E289 | K281-D285 IonicContact NZ-OD2 3.33Å; K281-D285 PolarHBondContact NZ-OD2 3.29Å; K281-D285 WeakPolarHBondContact O-CB 3.39Å; K281-D285 PolarHBondContact O-N 3.38Å; D285-A287 PolarHBondContact O-N 3.14Å; D285-I288 PolarHBondContact O-N 3.41Å; D285-E289 WeakPolarHBondContact O-CG 3.41Å; D285-E289 PolarHBondContact O-N 2.9Å |
| 286 | K | 98.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 34% | 0.335 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.4 | -166.7 | 60.5 | 180 | 177.5 | 0 | 113.1 | D282 H283 L284 I288 E289 L290 | D282-K286 PolarHBondContact O-N 3.1Å; H283-K286 PolarHBondContact O-N 3.09Å; L284-K286 PolarHBondContact O-N 3.47Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 3.48Å; K286-E289 VanDerWaalsContact CD-OE2 3.27Å; K286-E289 WeakPolarHBondContact CD-OE2 3.5Å; K286-E289 IonicContact NZ-OE2 2.67Å; K286-E289 PolarHBondContact NZ-OE2 3Å; K286-E289 PolarHBondContact O-N 3.1Å; K286-L290 HydrophobicContact CG-CD1 4.08Å; K286-L290 WeakPolarHBondContact O-CB 3.42Å; K286-L290 VanDerWaalsContact O-CG 3.26Å; K286-L290 WeakPolarHBondContact O-CG 3.43Å; K286-L290 PolarHBondContact O-N 3.1Å |
| 287 | A | 96.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | H254 Q255 H283 L284 D285 L290 K291 | H254-A287 HydrophobicContact CB-CB 3.94Å; Q255-A287 HydrophobicContact CB-CB 4.13Å; H283-A287 PolarHBondContact O-N 3.28Å; L284-A287 WeakPolarHBondContact O-CB 3.36Å; L284-A287 PolarHBondContact O-N 3.27Å; D285-A287 PolarHBondContact O-N 3.14Å; A287-L290 PolarHBondContact O-N 3.31Å; A287-K291 PolarHBondContact O-N 3.23Å |
| 288 | I | 97.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.2 | -67.8 | 168.9 | 0 | 0 | 0 | 111.4 | L284 D285 K286 L290 K291 P292 Y298 L301 | L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 3.21Å; D285-I288 PolarHBondContact O-N 3.41Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 3.48Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.98Å; I288-K291 CarbonylContact O-C 3.57Å; I288-K291 PolarHBondContact O-N 2.86Å; I288-P292 WeakPolarHBondContact O-CA 3.39Å; I288-P292 WeakPolarHBondContact O-CB 3.41Å; I288-P292 VanDerWaalsContact O-N 3.08Å; I288-Y298 HydrophobicContact CD1-CD1 4.12Å; I288-Y298 HydrophobicContact CD1-CE1 4.19Å; I288-Y298 HydrophobicContact CG2-CE1 3.76Å; I288-Y298 HydrophobicContact CG2-CE2 4.27Å; I288-Y298 WeakPolarHBondContact CG2-OH 3.21Å; I288-L301 HydrophobicContact CD1-CB 4.23Å; I288-L301 HydrophobicContact CD1-CD2 3.62Å |
| 289 | E | 98.3 | Very high | 94.8 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 61% | 0.607 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.3 | -43.1 | 174.6 | -74.4 | 179.6 | -175.9 | 0 | 0 | 111.9 | D285 K286 | D285-E289 WeakPolarHBondContact O-CG 3.41Å; D285-E289 PolarHBondContact O-N 2.9Å; K286-E289 VanDerWaalsContact CD-OE2 3.27Å; K286-E289 WeakPolarHBondContact CD-OE2 3.5Å; K286-E289 IonicContact NZ-OE2 2.67Å; K286-E289 PolarHBondContact NZ-OE2 3Å; K286-E289 PolarHBondContact O-N 3.1Å |
| 290 | L | 98.1 | Very high | 95 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.5 | -33.3 | -177.8 | -66.3 | 168.6 | 0 | 0 | 0 | 112.4 | A251 K286 A287 I288 | A251-L290 HydrophobicContact CB-CB 3.71Å; A251-L290 HydrophobicContact CB-CD1 4.48Å; K286-L290 HydrophobicContact CG-CD1 4.08Å; K286-L290 WeakPolarHBondContact O-CB 3.42Å; K286-L290 VanDerWaalsContact O-CG 3.26Å; K286-L290 WeakPolarHBondContact O-CG 3.43Å; K286-L290 PolarHBondContact O-N 3.1Å; A287-L290 PolarHBondContact O-N 3.31Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.98Å |
| 291 | K | 97.7 | Very high | 95.1 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 37% | 0.365 | 23% | 0.226 | S | C | . | . | trans | -138 | 74.9 | -177 | -165.6 | 178.4 | -175.1 | 174.3 | 0 | 111.2 | A251 E252 A287 I288 Q293 D294 | A251-K291 HydrophobicContact CB-CB 3.6Å; A251-K291 HydrophobicContact CB-CD 4.26Å; E252-K291 IonicContact OE1-NZ 3.28Å; E252-K291 PolarHBondContact OE1-NZ 3.31Å; A287-K291 PolarHBondContact O-N 3.23Å; I288-K291 CarbonylContact O-C 3.57Å; I288-K291 PolarHBondContact O-N 2.86Å; K291-Q293 PolarHBondContact O-N 3.14Å; K291-D294 HydrophobicContact CD-CB 4Å; K291-D294 HydrophobicContact CG-CB 4Å; K291-D294 PolarHBondContact O-N 3.24Å | ||
| 292 | P | 97.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -0.6 | -174.1 | 29.3 | -37.2 | 0 | 0 | 0 | 114.7 | I288 Y298 | I288-P292 WeakPolarHBondContact O-CA 3.39Å; I288-P292 WeakPolarHBondContact O-CB 3.41Å; I288-P292 VanDerWaalsContact O-N 3.08Å; P292-Y298 WeakPolarHBondContact O-CE2 3.22Å; P292-Y298 PolarHBondContact O-OH 3.19Å |
| 293 | Q | 96.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 16.9 | 177.7 | -61.4 | -63 | -12.9 | 0 | 0 | 112.2 | K291 P295 I344 | K291-Q293 PolarHBondContact O-N 3.14Å; Q293-P295 WeakPolarHBondContact O-CD 3.3Å; Q293-I344 WeakPolarHBondContact O-CG2 3.3Å |
| 294 | D | 93.1 | Very high | 95 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | trans | -93.9 | 111.3 | 175.7 | 174.7 | 45.4 | 0 | 0 | 0 | 111.8 | Q255 K291 L296 S297 Y298 | Q255-D294 PolarHBondContact NE2-OD2 3.29Å; K291-D294 HydrophobicContact CD-CB 4Å; K291-D294 HydrophobicContact CG-CB 4Å; K291-D294 PolarHBondContact O-N 3.24Å; D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.34Å; D294-L296 PolarHBondContact OD1-N 2.88Å; D294-S297 PolarHBondContact O-N 2.93Å; D294-S297 WeakPolarHBondContact OD2-CB 3.38Å; D294-S297 PolarHBondContact OD2-N 3.46Å; D294-S297 PolarHBondContact OD2-OG 3.37Å; D294-Y298 WeakPolarHBondContact O-CD2 3.36Å | ||
| 295 | P | 94.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -29.8 | -179.4 | 27 | -33.7 | 0 | 0 | 0 | 112.7 | Q293 S297 Y298 Y299 V341 I344 H345 Y348 | Q293-P295 WeakPolarHBondContact O-CD 3.3Å; P295-S297 VanDerWaalsContact C-N 3.33Å; P295-S297 PolarHBondContact O-N 3.42Å; P295-Y298 PolarHBondContact O-N 2.97Å; P295-Y299 WeakPolarHBondContact O-CB 3.46Å; P295-Y299 PolarHBondContact O-N 2.95Å; P295-V341 HydrophobicContact CB-CG1 4.07Å; P295-V341 WeakPolarHBondContact O-CG2 3.45Å; P295-I344 HydrophobicContact CB-CB 4.48Å; P295-I344 HydrophobicContact CB-CG2 4.23Å; P295-I344 HydrophobicContact CG-CG2 4.34Å; P295-H345 HydrophobicContact CB-CB 4.2Å; P295-H345 HydrophobicContact CG-CB 4.17Å; P295-Y348 HydrophobicContact CB-CD2 3.84Å; P295-Y348 HydrophobicContact CB-CE2 3.71Å; P295-Y348 HydrophobicContact CG-CD2 3.98Å; P295-Y348 HydrophobicContact CG-CE2 3.59Å |
| 296 | L | 92.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | -179.3 | 176.8 | 59.7 | 0 | 0 | 0 | 111.1 | D294 Y298 Y299 L300 | D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.34Å; D294-L296 PolarHBondContact OD1-N 2.88Å; L296-Y298 PolarHBondContact O-N 3.07Å; L296-Y299 HydrophobicContact CD1-CD1 4.32Å; L296-Y299 WeakPolarHBondContact O-CB 3.25Å; L296-Y299 PolarHBondContact O-N 2.93Å; L296-L300 HydrophobicContact CD1-CD1 4.08Å; L296-L300 HydrophobicContact CD1-CD2 4.45Å; L296-L300 HydrophobicContact CD1-CG 3.97Å; L296-L300 HydrophobicContact CG-CD1 4Å; L296-L300 HydrophobicContact CG-CG 4.34Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.32Å |
| 297 | S | 93 | Very high | 93.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | Q255 D294 P295 L300 L301 | Q255-S297 PolarHBondContact NE2-OG 3.09Å; D294-S297 PolarHBondContact O-N 2.93Å; D294-S297 WeakPolarHBondContact OD2-CB 3.38Å; D294-S297 PolarHBondContact OD2-N 3.46Å; D294-S297 PolarHBondContact OD2-OG 3.37Å; P295-S297 VanDerWaalsContact C-N 3.33Å; P295-S297 PolarHBondContact O-N 3.42Å; S297-L300 PolarHBondContact O-N 2.94Å; S297-L301 WeakPolarHBondContact O-CB 3.39Å; S297-L301 PolarHBondContact O-N 3.26Å |
| 298 | Y | 96.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 174.1 | -70.3 | -74.1 | 0 | 0 | 0 | 112.5 | I288 P292 D294 P295 L296 L301 G302 K340 I344 | I288-Y298 HydrophobicContact CD1-CD1 4.12Å; I288-Y298 HydrophobicContact CD1-CE1 4.19Å; I288-Y298 HydrophobicContact CG2-CE1 3.76Å; I288-Y298 HydrophobicContact CG2-CE2 4.27Å; I288-Y298 WeakPolarHBondContact CG2-OH 3.21Å; P292-Y298 WeakPolarHBondContact O-CE2 3.22Å; P292-Y298 PolarHBondContact O-OH 3.19Å; D294-Y298 WeakPolarHBondContact O-CD2 3.36Å; P295-Y298 PolarHBondContact O-N 2.97Å; L296-Y298 PolarHBondContact O-N 3.07Å; Y298-L301 PolarHBondContact O-N 2.97Å; Y298-G302 PolarHBondContact O-N 3.29Å; Y298-K340 HydrophobicContact CD1-CB 4.15Å; Y298-K340 HydrophobicContact CD1-CG 3.76Å; Y298-K340 HydrophobicContact CD2-CG 3.89Å; Y298-K340 HydrophobicContact CE1-CG 3.8Å; Y298-K340 HydrophobicContact CE2-CG 3.92Å; Y298-K340 HydrophobicContact CG-CB 4.22Å; Y298-K340 HydrophobicContact CG-CG 3.8Å; Y298-I344 HydrophobicContact CD2-CD1 3.47Å; Y298-I344 VanDerWaalsContact CD2-CD1 3.47Å; Y298-I344 HydrophobicContact CE2-CD1 3.51Å |
| 299 | Y | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 176 | 172.7 | -99.4 | 0 | 0 | 0 | 111.1 | P295 L296 L301 G302 R303 F338 V341 Y348 L351 N352 F355 | P295-Y299 WeakPolarHBondContact O-CB 3.46Å; P295-Y299 PolarHBondContact O-N 2.95Å; L296-Y299 HydrophobicContact CD1-CD1 4.32Å; L296-Y299 WeakPolarHBondContact O-CB 3.25Å; L296-Y299 PolarHBondContact O-N 2.93Å; Y299-L301 VanDerWaalsContact C-N 3.34Å; Y299-L301 PolarHBondContact O-N 3.45Å; Y299-G302 PolarHBondContact O-N 2.96Å; Y299-R303 HydrophobicContact CE1-CG 4.25Å; Y299-R303 HydrophobicContact CE2-CG 4.5Å; Y299-R303 WeakPolarHBondContact O-CG 3.1Å; Y299-R303 PolarHBondContact O-N 3.23Å; Y299-F338 HydrophobicContact CD2-CD1 4.13Å; Y299-F338 AromaticContact CD2-CE1 3.94Å; Y299-F338 HydrophobicContact CD2-CE1 3.94Å; Y299-F338 HydrophobicContact CE2-CE1 4.16Å; Y299-F338 WeakPolarHBondContact O-CE1 3.45Å; Y299-V341 VanDerWaalsContact N-CG2 3.32Å; Y299-Y348 HydrophobicContact CD2-CE1 4.4Å; Y299-Y348 HydrophobicContact CG-CE1 4.22Å; Y299-L351 WeakPolarHBondContact OH-CD2 3.48Å; Y299-L351 WeakPolarHBondContact OH-CG 3.13Å; Y299-N352 HydrophobicContact CD2-CB 4.2Å; Y299-N352 HydrophobicContact CE2-CB 4.21Å; Y299-F355 HydrophobicContact CE2-CD2 4.3Å |
| 300 | L | 92.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.6 | -70.5 | 174.9 | 0 | 0 | 0 | 112 | I259 F280 L284 L296 S297 R303 W304 | I259-L300 HydrophobicContact CD1-CD1 3.85Å; I259-L300 HydrophobicContact CG1-CD1 3.65Å; F280-L300 HydrophobicContact CZ-CB 4.13Å; L284-L300 HydrophobicContact CD1-CB 4.18Å; L284-L300 HydrophobicContact CD1-CD1 4.23Å; L284-L300 HydrophobicContact CD2-CB 3.64Å; L296-L300 HydrophobicContact CD1-CD1 4.08Å; L296-L300 HydrophobicContact CD1-CD2 4.45Å; L296-L300 HydrophobicContact CD1-CG 3.97Å; L296-L300 HydrophobicContact CG-CD1 4Å; L296-L300 HydrophobicContact CG-CG 4.34Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.32Å; S297-L300 PolarHBondContact O-N 2.94Å; L300-R303 PolarHBondContact O-N 2.86Å; L300-W304 PolarHBondContact O-N 3.5Å |
| 301 | L | 93.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 178.8 | -175.8 | 58.7 | 0 | 0 | 0 | 110.9 | L284 I288 S297 Y298 Y299 R303 W304 C305 | L284-L301 HydrophobicContact CD2-CB 3.72Å; L284-L301 HydrophobicContact CD2-CD1 4.38Å; L284-L301 VanDerWaalsContact CD2-N 3.33Å; L284-L301 HydrophobicContact CG-CB 4.44Å; I288-L301 HydrophobicContact CD1-CB 4.23Å; I288-L301 HydrophobicContact CD1-CD2 3.62Å; S297-L301 WeakPolarHBondContact O-CB 3.39Å; S297-L301 PolarHBondContact O-N 3.26Å; Y298-L301 PolarHBondContact O-N 2.97Å; Y299-L301 VanDerWaalsContact C-N 3.34Å; Y299-L301 PolarHBondContact O-N 3.45Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 2.81Å; L301-W304 HydrophobicContact CD1-CE3 4.1Å; L301-W304 WeakPolarHBondContact O-CB 3.49Å; L301-W304 PolarHBondContact O-N 2.87Å; L301-C305 PolarHBondContact O-N 2.67Å; L301-C305 PolarHBondContact O-SG 3.08Å; L301-C305 VanDerWaalsContact O-SG 3.35Å |
| 302 | G | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y298 Y299 C305 Y306 A334 F338 | Y298-G302 PolarHBondContact O-N 3.29Å; Y299-G302 PolarHBondContact O-N 2.96Å; G302-C305 PolarHBondContact O-N 3.48Å; G302-Y306 WeakPolarHBondContact O-CB 3.4Å; G302-Y306 PolarHBondContact O-N 2.86Å; G302-A334 WeakPolarHBondContact O-CB 3.39Å; G302-F338 WeakPolarHBondContact O-CZ 3.4Å |
| 303 | R | 91.2 | Very high | 88.2 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.3 | -69.3 | -175.1 | 82.7 | 176.2 | 17.3 | 111.5 | L22 Y299 L300 L301 Y306 A307 F338 F355 | L22-R303 PolarHBondContact O-NH1 3.37Å; L22-R303 PolarHBondContact O-NH2 3.05Å; Y299-R303 HydrophobicContact CE1-CG 4.25Å; Y299-R303 HydrophobicContact CE2-CG 4.5Å; Y299-R303 WeakPolarHBondContact O-CG 3.1Å; Y299-R303 PolarHBondContact O-N 3.23Å; L300-R303 PolarHBondContact O-N 2.86Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 2.81Å; R303-Y306 PolarHBondContact O-N 2.65Å; R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 2.98Å; R303-F338 HydrophobicContact CG-CE1 4.03Å; R303-F338 HydrophobicContact CG-CZ 4.01Å; R303-F338 VanDerWaalsContact N-CZ 3.29Å; R303-F355 HydrophobicContact CG-CD2 4.47Å; R303-F355 HydrophobicContact CG-CE2 4.16Å; R303-F355 HydrophobicContact CG-CZ 4.48Å |
| 304 | W | 88.9 | Confident | 86.7 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 10% | 0.095 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.2 | 179.7 | 100.1 | 0 | 0 | 0 | 112.1 | G277 F280 K281 L300 L301 A307 V308 P327 A329 | G277-W304 PolarHBondContact O-NE1 3.34Å; F280-W304 HydrophobicContact CD1-CB 4.39Å; F280-W304 AromaticContact CD1-CD1 3.58Å; F280-W304 HydrophobicContact CD1-CG 4.17Å; F280-W304 HydrophobicContact CE1-CB 3.92Å; F280-W304 AromaticContact CE1-CD1 3.97Å; F280-W304 HydrophobicContact CE1-CG 4.19Å; K281-W304 HydrophobicContact CB-CZ2 4.05Å; K281-W304 HydrophobicContact CD-CH2 3.49Å; K281-W304 VanDerWaalsContact CD-CH2 3.49Å; K281-W304 HydrophobicContact CD-CZ2 3.58Å; K281-W304 HydrophobicContact CD-CZ3 4.05Å; K281-W304 HydrophobicContact CG-CD2 4.44Å; K281-W304 HydrophobicContact CG-CE3 4.5Å; K281-W304 HydrophobicContact CG-CH2 4.12Å; K281-W304 HydrophobicContact CG-CZ2 3.98Å; K281-W304 HydrophobicContact CG-CZ3 4.35Å; L300-W304 PolarHBondContact O-N 3.5Å; L301-W304 HydrophobicContact CD1-CE3 4.1Å; L301-W304 WeakPolarHBondContact O-CB 3.49Å; L301-W304 PolarHBondContact O-N 2.87Å; W304-A307 VanDerWaalsContact O-CB 3.23Å; W304-A307 WeakPolarHBondContact O-CB 2.88Å; W304-V308 HydrophobicContact CD2-CG2 4.07Å; W304-V308 HydrophobicContact CE3-CG2 4.37Å; W304-V308 HydrophobicContact CH2-CG1 4.48Å; W304-V308 HydrophobicContact CH2-CG2 4.03Å; W304-V308 HydrophobicContact CZ2-CG2 3.75Å; W304-V308 HydrophobicContact CZ3-CG2 4.35Å; W304-V308 WeakPolarHBondContact O-CB 2.98Å; W304-V308 VanDerWaalsContact O-CG2 3.29Å; W304-V308 WeakPolarHBondContact O-CG2 3.43Å; W304-V308 PolarHBondContact O-N 3.46Å; W304-P327 HydrophobicContact CH2-CB 3.33Å; W304-P327 HydrophobicContact CH2-CG 4.29Å; W304-P327 HydrophobicContact CZ2-CB 3.35Å; W304-P327 HydrophobicContact CZ2-CG 3.81Å; W304-A329 HydrophobicContact CH2-CB 4.46Å; W304-A329 HydrophobicContact CZ3-CB 3.82Å |
| 305 | C | 90.1 | Very high | 85.5 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.8 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | L301 G302 A307 V308 A309 A329 D333 A334 | L301-C305 PolarHBondContact O-N 2.67Å; L301-C305 PolarHBondContact O-SG 3.08Å; L301-C305 VanDerWaalsContact O-SG 3.35Å; G302-C305 PolarHBondContact O-N 3.48Å; C305-A307 VanDerWaalsContact C-N 3.29Å; C305-A307 PolarHBondContact O-N 2.8Å; C305-V308 PolarHBondContact O-N 3.13Å; C305-A309 WeakPolarHBondContact O-CB 3.14Å; C305-A309 PolarHBondContact O-N 2.76Å; C305-A329 HydrophobicContact CB-CB 3.9Å; C305-D333 HydrophobicContact CB-CB 4.06Å; C305-A334 HydrophobicContact CB-CB 3.8Å |
| 306 | Y | 90.4 | Very high | 84.3 | Confident | 32 Ų | 32 | 33.2 Ų | 33.2 | 13% | 0.125 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | -178.2 | -177.3 | -95.9 | 0 | 0 | 0 | 110.8 | L22 G302 R303 A309 Q310 A334 F355 K358 | L22-Y306 HydrophobicContact CD2-CD1 4.42Å; G302-Y306 WeakPolarHBondContact O-CB 3.4Å; G302-Y306 PolarHBondContact O-N 2.86Å; R303-Y306 PolarHBondContact O-N 2.65Å; Y306-A309 WeakPolarHBondContact O-CB 3.41Å; Y306-A309 PolarHBondContact O-N 2.84Å; Y306-Q310 HydrophobicContact CD1-CG 4.38Å; Y306-Q310 HydrophobicContact CE1-CG 4.05Å; Y306-Q310 WeakPolarHBondContact O-CG 2.9Å; Y306-Q310 PolarHBondContact O-N 3.08Å; Y306-A334 HydrophobicContact CD2-CB 4.41Å; Y306-F355 HydrophobicContact CD1-CD1 4.37Å; Y306-F355 HydrophobicContact CD1-CE1 4.15Å; Y306-F355 HydrophobicContact CE1-CE1 4.46Å; Y306-F355 HydrophobicContact CG-CD1 4.43Å; Y306-K358 HydrophobicContact CE1-CD 4.46Å; Y306-K358 HydrophobicContact CE2-CB 3.85Å |
| 307 | A | 84.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.6 | -55.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R303 W304 C305 A309 Q310 | R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 2.98Å; W304-A307 VanDerWaalsContact O-CB 3.23Å; W304-A307 WeakPolarHBondContact O-CB 2.88Å; C305-A307 VanDerWaalsContact C-N 3.29Å; C305-A307 PolarHBondContact O-N 2.8Å; A307-A309 PolarHBondContact O-N 3.03Å; A307-Q310 PolarHBondContact O-N 2.89Å |
| 308 | V | 83.1 | Confident | 81.9 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -27.2 | 178.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | W304 C305 Q310 L311 R316 P327 A329 | W304-V308 HydrophobicContact CD2-CG2 4.07Å; W304-V308 HydrophobicContact CE3-CG2 4.37Å; W304-V308 HydrophobicContact CH2-CG1 4.48Å; W304-V308 HydrophobicContact CH2-CG2 4.03Å; W304-V308 HydrophobicContact CZ2-CG2 3.75Å; W304-V308 HydrophobicContact CZ3-CG2 4.35Å; W304-V308 WeakPolarHBondContact O-CB 2.98Å; W304-V308 VanDerWaalsContact O-CG2 3.29Å; W304-V308 WeakPolarHBondContact O-CG2 3.43Å; W304-V308 PolarHBondContact O-N 3.46Å; C305-V308 PolarHBondContact O-N 3.13Å; V308-Q310 VanDerWaalsContact C-N 3.31Å; V308-L311 HydrophobicContact CB-CD1 4.4Å; V308-L311 HydrophobicContact CG1-CD1 4.05Å; V308-L311 WeakPolarHBondContact O-CG 3.42Å; V308-L311 PolarHBondContact O-N 3.22Å; V308-R316 PolarHBondContact O-NH2 3.12Å; V308-R316 VanDerWaalsContact O-NH2 3.13Å; V308-P327 WeakPolarHBondContact CG1-O 3.12Å; V308-A329 HydrophobicContact CB-CB 3.93Å; V308-A329 HydrophobicContact CG1-CB 3.75Å; V308-A329 VanDerWaalsContact CG1-N 3.32Å |
| 309 | A | 85.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70 | -28.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C305 Y306 A307 L311 R316 A329 V331 | C305-A309 WeakPolarHBondContact O-CB 3.14Å; C305-A309 PolarHBondContact O-N 2.76Å; Y306-A309 WeakPolarHBondContact O-CB 3.41Å; Y306-A309 PolarHBondContact O-N 2.84Å; A307-A309 PolarHBondContact O-N 3.03Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.22Å; A309-R316 PolarHBondContact O-NH2 3.36Å; A309-A329 WeakPolarHBondContact CA-O 3.46Å; A309-V331 HydrophobicContact CB-CG2 3.87Å |
| 310 | Q | 82.6 | Confident | 79.5 | Confident | 80 Ų | 80 | 35 Ų | 35 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.3 | 178.6 | -61.3 | -43.1 | -71.3 | 0 | 0 | 114.1 | I20 Y306 A307 V308 S312 | I20-Q310 HydrophobicContact CD1-CB 4.12Å; Y306-Q310 HydrophobicContact CD1-CG 4.38Å; Y306-Q310 HydrophobicContact CE1-CG 4.05Å; Y306-Q310 WeakPolarHBondContact O-CG 2.9Å; Y306-Q310 PolarHBondContact O-N 3.08Å; A307-Q310 PolarHBondContact O-N 2.89Å; V308-Q310 VanDerWaalsContact C-N 3.31Å; Q310-S312 PolarHBondContact O-N 3.1Å |
| 311 | L | 74.4 | Confident | 78.3 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | trans | -59.1 | 124.1 | 177.4 | -49 | -179.4 | 0 | 0 | 0 | 110 | G16 V308 A309 R316 | G16-L311 WeakPolarHBondContact O-CD2 3.48Å; V308-L311 HydrophobicContact CB-CD1 4.4Å; V308-L311 HydrophobicContact CG1-CD1 4.05Å; V308-L311 WeakPolarHBondContact O-CG 3.42Å; V308-L311 PolarHBondContact O-N 3.22Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.22Å; L311-R316 HydrophobicContact CB-CG 3.76Å; L311-R316 HydrophobicContact CD1-CG 4.22Å; L311-R316 PolarHBondContact O-NE 3.36Å; L311-R316 PolarHBondContact O-NH2 3.12Å; L311-R316 VanDerWaalsContact O-NH2 3.12Å | ||
| 312 | S | 70.5 | Confident | 76.8 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | trans | -64.4 | 157 | 171.8 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | Q310 I314 E315 R316 | Q310-S312 PolarHBondContact O-N 3.1Å; S312-I314 PolarHBondContact O-N 3.49Å; S312-E315 VanDerWaalsContact CB-OE2 3.3Å; S312-E315 WeakPolarHBondContact CB-OE2 3.31Å; S312-E315 PolarHBondContact N-OE2 3.49Å; S312-E315 PolarHBondContact O-N 2.83Å; S312-E315 VanDerWaalsContact O-N 3.12Å; S312-E315 VanDerWaalsContact OG-CG 3.24Å; S312-E315 WeakPolarHBondContact OG-CG 3.48Å; S312-E315 PolarHBondContact OG-N 2.99Å; S312-E315 PolarHBondContact OG-OE2 3.07Å; S312-R316 WeakPolarHBondContact O-CG 3.36Å; S312-R316 PolarHBondContact O-N 2.81Å | ||
| 313 | W | 69.5 | Low | 75.5 | Confident | 116 Ų | 116 | 40.5 Ų | 40.5 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.3 | -38.2 | 177.1 | 169.1 | 87.9 | 0 | 0 | 0 | 112.4 | L82 E85 R316 K317 | L82-W313 HydrophobicContact CB-CH2 4.13Å; L82-W313 HydrophobicContact CB-CZ3 4.24Å; L82-W313 HydrophobicContact CD1-CE3 4.39Å; L82-W313 HydrophobicContact CD1-CH2 3.74Å; L82-W313 HydrophobicContact CD1-CZ3 3.32Å; L82-W313 HydrophobicContact CD2-CZ3 4.35Å; L82-W313 HydrophobicContact CG-CH2 4.44Å; L82-W313 HydrophobicContact CG-CZ3 4.13Å; E85-W313 VanDerWaalsContact CD-CZ2 3.46Å; E85-W313 WeakPolarHBondContact OE1-CZ2 3.44Å; E85-W313 VanDerWaalsContact OE2-CH2 3.25Å; E85-W313 WeakPolarHBondContact OE2-CH2 3.48Å; E85-W313 WeakPolarHBondContact OE2-CZ2 3.28Å; W313-R316 PolarHBondContact O-N 3.44Å; W313-K317 HydrophobicContact CH2-CD 3.65Å; W313-K317 HydrophobicContact CZ2-CD 3.41Å; W313-K317 VanDerWaalsContact CZ2-CD 3.41Å; W313-K317 PolarHBondContact O-N 2.79Å |
| 314 | I | 65.8 | Low | 74.4 | Confident | 86 Ų | 86 | 40.3 Ų | 40.3 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 178.4 | -58.2 | 178.4 | 0 | 0 | 0 | 110.2 | L82 S312 R316 K317 V318 | L82-I314 HydrophobicContact CD2-CD1 3.91Å; L82-I314 HydrophobicContact CD2-CG1 4.21Å; S312-I314 PolarHBondContact O-N 3.49Å; I314-R316 PolarHBondContact O-N 2.91Å; I314-K317 PolarHBondContact O-N 2.99Å; I314-V318 HydrophobicContact CG2-CG2 4.45Å; I314-V318 WeakPolarHBondContact O-CG2 3.25Å; I314-V318 PolarHBondContact O-N 2.9Å |
| 315 | E | 68.8 | Low | 73.4 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | -180 | -70.7 | 161.6 | 149.2 | 0 | 0 | 111.8 | A15 G16 S312 K317 V318 A319 | A15-E315 WeakPolarHBondContact CA-OE1 3.47Å; A15-E315 VanDerWaalsContact CB-OE1 3.31Å; A15-E315 WeakPolarHBondContact CB-OE1 3.33Å; A15-E315 PolarHBondContact N-OE1 3.28Å; G16-E315 VanDerWaalsContact N-CD 3.29Å; G16-E315 PolarHBondContact N-OE1 3.03Å; S312-E315 VanDerWaalsContact CB-OE2 3.3Å; S312-E315 WeakPolarHBondContact CB-OE2 3.31Å; S312-E315 PolarHBondContact N-OE2 3.49Å; S312-E315 PolarHBondContact O-N 2.83Å; S312-E315 VanDerWaalsContact O-N 3.12Å; S312-E315 VanDerWaalsContact OG-CG 3.24Å; S312-E315 WeakPolarHBondContact OG-CG 3.48Å; S312-E315 PolarHBondContact OG-N 2.99Å; S312-E315 PolarHBondContact OG-OE2 3.07Å; E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.25Å; E315-V318 PolarHBondContact O-N 3.12Å; E315-A319 WeakPolarHBondContact O-CB 3.46Å; E315-A319 PolarHBondContact O-N 3.15Å |
| 316 | R | 69.9 | Low | 72.2 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.1 | -66 | -179.4 | -158.1 | -122.6 | 0.5 | 111.6 | V308 A309 L311 S312 W313 I314 A319 A320 P326 | V308-R316 PolarHBondContact O-NH2 3.12Å; V308-R316 VanDerWaalsContact O-NH2 3.13Å; A309-R316 PolarHBondContact O-NH2 3.36Å; L311-R316 HydrophobicContact CB-CG 3.76Å; L311-R316 HydrophobicContact CD1-CG 4.22Å; L311-R316 PolarHBondContact O-NE 3.36Å; L311-R316 PolarHBondContact O-NH2 3.12Å; L311-R316 VanDerWaalsContact O-NH2 3.12Å; S312-R316 WeakPolarHBondContact O-CG 3.36Å; S312-R316 PolarHBondContact O-N 2.81Å; W313-R316 PolarHBondContact O-N 3.44Å; I314-R316 PolarHBondContact O-N 2.91Å; R316-A319 PolarHBondContact O-N 3.33Å; R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 3.27Å; R316-P326 HydrophobicContact CB-CG 4.41Å |
| 317 | K | 68.2 | Low | 71.1 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 179.9 | -167.4 | 165.4 | -173.3 | 177.1 | 0 | 112.1 | D81 E85 W313 I314 E315 A319 A320 T321 | D81-K317 IonicContact OD2-NZ 2.64Å; E85-K317 IonicContact OE1-NZ 2.73Å; E85-K317 PolarHBondContact OE1-NZ 3.48Å; W313-K317 HydrophobicContact CH2-CD 3.65Å; W313-K317 HydrophobicContact CZ2-CD 3.41Å; W313-K317 VanDerWaalsContact CZ2-CD 3.41Å; W313-K317 PolarHBondContact O-N 2.79Å; I314-K317 PolarHBondContact O-N 2.99Å; E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.25Å; K317-A319 VanDerWaalsContact C-N 3.34Å; K317-A319 PolarHBondContact O-N 3.46Å; K317-A320 PolarHBondContact O-N 2.85Å; K317-T321 PolarHBondContact O-N 2.91Å; K317-T321 PolarHBondContact O-OG1 3.04Å |
| 318 | V | 66.3 | Low | 70.8 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | L75 C78 I314 E315 L322 | L75-V318 HydrophobicContact CD2-CG1 3.73Å; L75-V318 HydrophobicContact CD2-CG2 4.25Å; C78-V318 HydrophobicContact CB-CG2 4.17Å; I314-V318 HydrophobicContact CG2-CG2 4.45Å; I314-V318 WeakPolarHBondContact O-CG2 3.25Å; I314-V318 PolarHBondContact O-N 2.9Å; E315-V318 PolarHBondContact O-N 3.12Å; V318-L322 HydrophobicContact CG1-CD1 3.71Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 WeakPolarHBondContact O-CG 3.31Å; V318-L322 PolarHBondContact O-N 2.98Å |
| 319 | A | 68.1 | Low | 71 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I274 E315 R316 K317 T321 L322 F323 P326 | I274-A319 HydrophobicContact CD1-CB 4.38Å; E315-A319 WeakPolarHBondContact O-CB 3.46Å; E315-A319 PolarHBondContact O-N 3.15Å; R316-A319 PolarHBondContact O-N 3.33Å; K317-A319 VanDerWaalsContact C-N 3.34Å; K317-A319 PolarHBondContact O-N 3.46Å; A319-T321 PolarHBondContact O-N 2.96Å; A319-L322 PolarHBondContact O-N 3.5Å; A319-F323 WeakPolarHBondContact O-CB 3.35Å; A319-F323 WeakPolarHBondContact O-CD2 3.44Å; A319-F323 PolarHBondContact O-N 3.24Å; A319-P326 HydrophobicContact CB-CB 4.06Å; A319-P326 HydrophobicContact CB-CG 4.24Å |
| 320 | A | 71.9 | Confident | 71.3 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | R316 K317 L322 G324 | R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 3.27Å; K317-A320 PolarHBondContact O-N 2.85Å; A320-L322 VanDerWaalsContact C-N 3.34Å; A320-L322 PolarHBondContact O-N 3.23Å; A320-G324 VanDerWaalsContact CA-O 3.27Å; A320-G324 WeakPolarHBondContact CA-O 3.36Å; A320-G324 CarbonylContact O-C 3.33Å; A320-G324 VanDerWaalsContact O-CA 3.28Å; A320-G324 WeakPolarHBondContact O-CA 3.45Å; A320-G324 PolarHBondContact O-N 3.42Å |
| 321 | T | 66.6 | Low | 71.9 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | -177.3 | -52 | 0 | 0 | 0 | 0 | 112.3 | A74 C78 K317 A319 | A74-T321 HydrophobicContact CB-CG2 3.89Å; C78-T321 VanDerWaalsContact SG-CB 3.5Å; C78-T321 PolarHBondContact SG-OG1 2.95Å; K317-T321 PolarHBondContact O-N 2.91Å; K317-T321 PolarHBondContact O-OG1 3.04Å; A319-T321 PolarHBondContact O-N 2.96Å |
| 322 | L | 62.6 | Low | 73 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -89.7 | -28.3 | -174.7 | -68.6 | 173.7 | 0 | 0 | 0 | 113.7 | R71 A74 L75 V318 A319 A320 | R71-L322 HydrophobicContact CB-CD2 4.01Å; R71-L322 HydrophobicContact CG-CD2 3.98Å; A74-L322 HydrophobicContact CB-CD2 3.39Å; A74-L322 HydrophobicContact CB-CG 4.33Å; L75-L322 HydrophobicContact CD2-CD1 4.43Å; V318-L322 HydrophobicContact CG1-CD1 3.71Å; V318-L322 WeakPolarHBondContact O-CB 3.48Å; V318-L322 WeakPolarHBondContact O-CG 3.31Å; V318-L322 PolarHBondContact O-N 2.98Å; A319-L322 PolarHBondContact O-N 3.5Å; A320-L322 VanDerWaalsContact C-N 3.34Å; A320-L322 PolarHBondContact O-N 3.23Å |
| 323 | F | 65.5 | Low | 74.3 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 21% | 0.211 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -135.7 | 8.1 | -166.7 | -48.4 | -67.9 | 0 | 0 | 0 | 114.1 | Q271 I274 A319 | Q271-F323 HydrophobicContact CB-CD1 4.37Å; Q271-F323 HydrophobicContact CB-CE1 3.38Å; Q271-F323 HydrophobicContact CB-CZ 3.7Å; Q271-F323 HydrophobicContact CG-CD1 3.99Å; Q271-F323 HydrophobicContact CG-CE1 3.38Å; Q271-F323 HydrophobicContact CG-CZ 4.22Å; I274-F323 HydrophobicContact CB-CD2 4.24Å; I274-F323 HydrophobicContact CB-CG 4.31Å; I274-F323 HydrophobicContact CD1-CD2 3.17Å; I274-F323 HydrophobicContact CD1-CE2 3.12Å; I274-F323 HydrophobicContact CD1-CG 4.08Å; I274-F323 HydrophobicContact CD1-CZ 4.01Å; I274-F323 HydrophobicContact CG1-CD2 4.21Å; I274-F323 HydrophobicContact CG1-CE2 4.35Å; I274-F323 HydrophobicContact CG2-CB 3.78Å; I274-F323 HydrophobicContact CG2-CD2 3.95Å; I274-F323 HydrophobicContact CG2-CG 3.82Å; A319-F323 WeakPolarHBondContact O-CB 3.35Å; A319-F323 WeakPolarHBondContact O-CD2 3.44Å; A319-F323 PolarHBondContact O-N 3.24Å |
| 324 | G | 68.9 | Low | 75.5 | Confident | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 80.2 | 171.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y278 A320 P326 | Y278-G324 PolarHBondContact OH-O 3.45Å; A320-G324 VanDerWaalsContact CA-O 3.27Å; A320-G324 WeakPolarHBondContact CA-O 3.36Å; A320-G324 CarbonylContact O-C 3.33Å; A320-G324 VanDerWaalsContact O-CA 3.28Å; A320-G324 WeakPolarHBondContact O-CA 3.45Å; A320-G324 PolarHBondContact O-N 3.42Å; G324-P326 WeakPolarHBondContact O-CD 3.4Å |
| 325 | E | 68.1 | Low | 77.1 | Confident | 180 Ų | 180 | 48.7 Ų | 48.7 | 84% | 0.841 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -51.8 | 113.1 | -174.1 | -79.2 | -173 | 158.4 | 0 | 0 | 111.9 | Y278 | Y278-E325 PolarHBondContact OH-O 2.92Š|
| 326 | P | 65.1 | Low | 78.5 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -62 | 148.7 | -178.8 | 27 | -34.7 | 0 | 0 | 0 | 109.6 | Y278 R316 A319 G324 S328 | Y278-P326 VanDerWaalsContact OH-CA 3.25Å; Y278-P326 WeakPolarHBondContact OH-CA 3.43Å; R316-P326 HydrophobicContact CB-CG 4.41Å; A319-P326 HydrophobicContact CB-CB 4.06Å; A319-P326 HydrophobicContact CB-CG 4.24Å; G324-P326 WeakPolarHBondContact O-CD 3.4Å; P326-S328 PolarHBondContact O-N 3.48Å; P326-S328 VanDerWaalsContact O-N 3.17Å |
| 327 | P | 66.8 | Low | 79.8 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 129.8 | 172.4 | -18.8 | 33.5 | 0 | 0 | 0 | 108 | Y278 K281 W304 V308 | Y278-P327 HydrophobicContact CD1-CG 3.53Å; Y278-P327 HydrophobicContact CE1-CG 3.34Å; Y278-P327 HydrophobicContact CG-CG 4.27Å; Y278-P327 VanDerWaalsContact CZ-CD 3.48Å; K281-P327 HydrophobicContact CD-CB 4.43Å; W304-P327 HydrophobicContact CH2-CB 3.33Å; W304-P327 HydrophobicContact CH2-CG 4.29Å; W304-P327 HydrophobicContact CZ2-CB 3.35Å; W304-P327 HydrophobicContact CZ2-CG 3.81Å; V308-P327 WeakPolarHBondContact CG1-O 3.12Å |
| 328 | S | 78.1 | Confident | 81.3 | Confident | 104 Ų | 104 | 51 Ų | 51 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 133.3 | 174 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | P326 | P326-S328 PolarHBondContact O-N 3.48Å; P326-S328 VanDerWaalsContact O-N 3.17Å |
| 329 | A | 87.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | trans | -140.3 | 156.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | W304 C305 V308 A309 | W304-A329 HydrophobicContact CH2-CB 4.46Å; W304-A329 HydrophobicContact CZ3-CB 3.82Å; C305-A329 HydrophobicContact CB-CB 3.9Å; V308-A329 HydrophobicContact CB-CB 3.93Å; V308-A329 HydrophobicContact CG1-CB 3.75Å; V308-A329 VanDerWaalsContact CG1-N 3.32Å; A309-A329 WeakPolarHBondContact CA-O 3.46Å | ||
| 330 | T | 92.9 | Very high | 84.2 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | trans | -113.7 | 167.3 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | E332 D333 A334 | T330-E332 WeakPolarHBondContact CB-OE2 3.14Å; T330-E332 PolarHBondContact O-N 3.07Å; T330-D333 WeakPolarHBondContact CB-OD2 3.39Å; T330-D333 PolarHBondContact N-OD2 3.24Å; T330-D333 PolarHBondContact O-N 3.35Å; T330-D333 PolarHBondContact OG1-N 3.27Å; T330-D333 VanDerWaalsContact OG1-N 3.12Å; T330-D333 PolarHBondContact OG1-OD2 3.41Å; T330-A334 PolarHBondContact O-N 3.22Å | ||
| 331 | V | 94.9 | Very high | 85.5 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -30.3 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | A309 A334 L335 C359 A362 L363 | A309-V331 HydrophobicContact CB-CG2 3.87Å; V331-A334 WeakPolarHBondContact O-CB 3.2Å; V331-A334 PolarHBondContact O-N 3.49Å; V331-L335 WeakPolarHBondContact O-CB 3.45Å; V331-L335 PolarHBondContact O-N 3.14Å; V331-C359 HydrophobicContact CG1-CB 3.88Å; V331-A362 HydrophobicContact CG1-CB 3.97Å; V331-A362 HydrophobicContact CG2-CB 4.27Å; V331-L363 HydrophobicContact CB-CD2 4.15Å; V331-L363 HydrophobicContact CG1-CD1 4.32Å; V331-L363 HydrophobicContact CG1-CD2 4.07Å; V331-L363 HydrophobicContact CG1-CG 3.88Å |
| 332 | E | 97.9 | Very high | 86.9 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.5 | -66.8 | 82.1 | 173.4 | 0 | 0 | 112 | T330 A334 L335 K336 L363 | T330-E332 WeakPolarHBondContact CB-OE2 3.14Å; T330-E332 PolarHBondContact O-N 3.07Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.18Å; E332-L335 PolarHBondContact O-N 2.87Å; E332-K336 WeakPolarHBondContact O-CB 3.02Å; E332-K336 PolarHBondContact O-N 2.74Å; E332-L363 VanDerWaalsContact CD-CD2 3.45Å; E332-L363 HydrophobicContact CG-CD1 4.38Å; E332-L363 HydrophobicContact CG-CD2 4.05Å; E332-L363 WeakPolarHBondContact OE1-CD2 3.31Å |
| 333 | D | 96.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.5 | -61.1 | -45.5 | 0 | 0 | 0 | 110.9 | C305 T330 K336 N337 | C305-D333 HydrophobicContact CB-CB 4.06Å; T330-D333 WeakPolarHBondContact CB-OD2 3.39Å; T330-D333 PolarHBondContact N-OD2 3.24Å; T330-D333 PolarHBondContact O-N 3.35Å; T330-D333 PolarHBondContact OG1-N 3.27Å; T330-D333 VanDerWaalsContact OG1-N 3.12Å; T330-D333 PolarHBondContact OG1-OD2 3.41Å; D333-K336 PolarHBondContact O-N 3.24Å; D333-N337 PolarHBondContact O-N 3.25Å; D333-N337 VanDerWaalsContact O-N 3.16Å; D333-N337 PolarHBondContact O-ND2 3.08Å |
| 334 | A | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G302 C305 Y306 T330 V331 E332 K336 N337 F338 | G302-A334 WeakPolarHBondContact O-CB 3.39Å; C305-A334 HydrophobicContact CB-CB 3.8Å; Y306-A334 HydrophobicContact CD2-CB 4.41Å; T330-A334 PolarHBondContact O-N 3.22Å; V331-A334 WeakPolarHBondContact O-CB 3.2Å; V331-A334 PolarHBondContact O-N 3.49Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.18Å; A334-K336 VanDerWaalsContact C-N 3.33Å; A334-K336 PolarHBondContact O-N 3.47Å; A334-N337 PolarHBondContact O-N 3.11Å; A334-F338 HydrophobicContact CB-CD2 4.39Å; A334-F338 HydrophobicContact CB-CE2 4.06Å; A334-F338 WeakPolarHBondContact O-CD2 3.41Å; A334-F338 WeakPolarHBondContact O-CG 3.38Å; A334-F338 PolarHBondContact O-N 2.88Å |
| 335 | L | 98.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 178.5 | 178.4 | 59.4 | 0 | 0 | 0 | 111.7 | V331 E332 N337 F338 L339 L356 C359 Y360 L363 | V331-L335 WeakPolarHBondContact O-CB 3.45Å; V331-L335 PolarHBondContact O-N 3.14Å; E332-L335 PolarHBondContact O-N 2.87Å; L335-N337 VanDerWaalsContact C-N 3.31Å; L335-N337 PolarHBondContact O-N 3.38Å; L335-F338 PolarHBondContact O-N 2.77Å; L335-L339 HydrophobicContact CD1-CD1 3.98Å; L335-L339 HydrophobicContact CD1-CG 4.04Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 HydrophobicContact CG-CG 4.41Å; L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 VanDerWaalsContact O-CG 3.27Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 3.02Å; L335-L356 HydrophobicContact CD1-CD2 3.66Å; L335-C359 HydrophobicContact CB-CB 3.95Å; L335-C359 HydrophobicContact CD1-CB 4.07Å; L335-C359 HydrophobicContact CG-CB 4.49Å; L335-Y360 HydrophobicContact CD1-CD1 4.38Å; L335-Y360 HydrophobicContact CD1-CD2 4.38Å; L335-Y360 HydrophobicContact CD1-CE1 3.97Å; L335-Y360 HydrophobicContact CD1-CE2 3.96Å; L335-Y360 HydrophobicContact CD2-CD1 4.05Å; L335-Y360 HydrophobicContact CD2-CE1 3.66Å; L335-Y360 HydrophobicContact CG-CE1 4.45Å; L335-L363 HydrophobicContact CD2-CD1 3.63Å |
| 336 | K | 98.4 | Very high | 92.7 | Very high | 156 Ų | 156 | 53.4 Ų | 53.4 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 178.4 | -177.5 | -176.9 | 176 | -173 | 0 | 111.4 | E332 D333 A334 L339 K340 | E332-K336 WeakPolarHBondContact O-CB 3.02Å; E332-K336 PolarHBondContact O-N 2.74Å; D333-K336 PolarHBondContact O-N 3.24Å; A334-K336 VanDerWaalsContact C-N 3.33Å; A334-K336 PolarHBondContact O-N 3.47Å; K336-L339 PolarHBondContact O-N 3Å; K336-K340 PolarHBondContact O-N 3.48Å |
| 337 | N | 98 | Very high | 94 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 178.4 | -79 | -63.6 | 0 | 0 | 0 | 111.9 | D333 A334 L335 L339 K340 V341 | D333-N337 PolarHBondContact O-N 3.25Å; D333-N337 VanDerWaalsContact O-N 3.16Å; D333-N337 PolarHBondContact O-ND2 3.08Å; A334-N337 PolarHBondContact O-N 3.11Å; L335-N337 VanDerWaalsContact C-N 3.31Å; L335-N337 PolarHBondContact O-N 3.38Å; N337-L339 VanDerWaalsContact C-N 3.29Å; N337-L339 PolarHBondContact O-N 3.35Å; N337-K340 WeakPolarHBondContact O-CA 2.81Å; N337-K340 WeakPolarHBondContact O-CB 3.26Å; N337-K340 PolarHBondContact O-N 3.09Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 3.11Å |
| 338 | F | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -30.9 | 177.8 | -65 | -51.2 | 0 | 0 | 0 | 113.5 | Y299 G302 R303 A334 L335 V341 E342 N352 F355 L356 | Y299-F338 HydrophobicContact CD2-CD1 4.13Å; Y299-F338 AromaticContact CD2-CE1 3.94Å; Y299-F338 HydrophobicContact CD2-CE1 3.94Å; Y299-F338 HydrophobicContact CE2-CE1 4.16Å; Y299-F338 WeakPolarHBondContact O-CE1 3.45Å; G302-F338 WeakPolarHBondContact O-CZ 3.4Å; R303-F338 HydrophobicContact CG-CE1 4.03Å; R303-F338 HydrophobicContact CG-CZ 4.01Å; R303-F338 VanDerWaalsContact N-CZ 3.29Å; A334-F338 HydrophobicContact CB-CD2 4.39Å; A334-F338 HydrophobicContact CB-CE2 4.06Å; A334-F338 WeakPolarHBondContact O-CD2 3.41Å; A334-F338 WeakPolarHBondContact O-CG 3.38Å; A334-F338 PolarHBondContact O-N 2.88Å; L335-F338 PolarHBondContact O-N 2.77Å; F338-V341 WeakPolarHBondContact O-CB 2.94Å; F338-V341 PolarHBondContact O-N 2.98Å; F338-E342 PolarHBondContact O-N 3.2Å; F338-N352 WeakPolarHBondContact CD1-OD1 3.26Å; F338-N352 PolarHBondContact O-ND2 3.46Å; F338-F355 HydrophobicContact CD1-CB 4.24Å; F338-F355 HydrophobicContact CD2-CB 3.84Å; F338-F355 HydrophobicContact CE1-CB 3.9Å; F338-F355 HydrophobicContact CE1-CD2 4.25Å; F338-F355 HydrophobicContact CE1-CG 4.09Å; F338-F355 HydrophobicContact CE2-CB 3.5Å; F338-F355 VanDerWaalsContact CE2-CB 3.5Å; F338-F355 HydrophobicContact CE2-CD1 4.15Å; F338-F355 AromaticContact CE2-CG 3.94Å; F338-F355 HydrophobicContact CE2-CG 3.94Å; F338-F355 HydrophobicContact CG-CB 4.2Å; F338-F355 HydrophobicContact CZ-CB 3.49Å; F338-F355 VanDerWaalsContact CZ-CB 3.49Å; F338-F355 AromaticContact CZ-CD1 3.93Å; F338-F355 HydrophobicContact CZ-CD1 3.93Å; F338-F355 HydrophobicContact CZ-CD2 4.06Å; F338-F355 AromaticContact CZ-CG 3.54Å; F338-F355 HydrophobicContact CZ-CG 3.54Å; F338-L356 HydrophobicContact CB-CD2 3.5Å; F338-L356 VanDerWaalsContact CB-CD2 3.5Å; F338-L356 HydrophobicContact CB-CG 3.92Å |
| 339 | L | 98.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | 171.2 | -72.2 | 172.5 | 0 | 0 | 0 | 111.8 | L335 K336 N337 V341 E342 E343 L356 | L335-L339 HydrophobicContact CD1-CD1 3.98Å; L335-L339 HydrophobicContact CD1-CG 4.04Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 HydrophobicContact CG-CG 4.41Å; L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 VanDerWaalsContact O-CG 3.27Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 3.02Å; K336-L339 PolarHBondContact O-N 3Å; N337-L339 VanDerWaalsContact C-N 3.29Å; N337-L339 PolarHBondContact O-N 3.35Å; L339-V341 VanDerWaalsContact C-N 3.26Å; L339-V341 PolarHBondContact O-N 3.39Å; L339-E342 PolarHBondContact O-N 2.9Å; L339-E343 PolarHBondContact O-N 2.89Å; L339-L356 HydrophobicContact CD2-CD2 3.79Å; L339-L356 HydrophobicContact CG-CD2 3.88Å |
| 340 | K | 98.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 174.5 | -174.2 | 58.3 | 178.4 | -178.6 | 0 | 111.8 | Y298 K336 N337 E343 I344 | Y298-K340 HydrophobicContact CD1-CB 4.15Å; Y298-K340 HydrophobicContact CD1-CG 3.76Å; Y298-K340 HydrophobicContact CD2-CG 3.89Å; Y298-K340 HydrophobicContact CE1-CG 3.8Å; Y298-K340 HydrophobicContact CE2-CG 3.92Å; Y298-K340 HydrophobicContact CG-CB 4.22Å; Y298-K340 HydrophobicContact CG-CG 3.8Å; K336-K340 PolarHBondContact O-N 3.48Å; N337-K340 WeakPolarHBondContact O-CA 2.81Å; N337-K340 WeakPolarHBondContact O-CB 3.26Å; N337-K340 PolarHBondContact O-N 3.09Å; K340-E343 HydrophobicContact CD-CB 4.39Å; K340-E343 VanDerWaalsContact CD-OE2 3.26Å; K340-E343 WeakPolarHBondContact CD-OE2 3.49Å; K340-E343 IonicContact NZ-OE1 3.36Å; K340-E343 PolarHBondContact NZ-OE1 3.38Å; K340-E343 IonicContact NZ-OE2 3.24Å; K340-E343 PolarHBondContact NZ-OE2 3.24Å; K340-E343 WeakPolarHBondContact O-CB 3.33Å; K340-E343 PolarHBondContact O-N 3.38Å; K340-I344 HydrophobicContact CD-CD1 4.31Å; K340-I344 HydrophobicContact CD-CG1 4.4Å; K340-I344 HydrophobicContact CG-CD1 4.02Å; K340-I344 VanDerWaalsContact O-CG1 3.31Å; K340-I344 WeakPolarHBondContact O-CG1 3.38Å; K340-I344 PolarHBondContact O-N 3.01Å |
| 341 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.3 | -50.5 | 171.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | P295 Y299 N337 F338 L339 E343 I344 H345 Y348 | P295-V341 HydrophobicContact CB-CG1 4.07Å; P295-V341 WeakPolarHBondContact O-CG2 3.45Å; Y299-V341 VanDerWaalsContact N-CG2 3.32Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 3.11Å; F338-V341 WeakPolarHBondContact O-CB 2.94Å; F338-V341 PolarHBondContact O-N 2.98Å; L339-V341 VanDerWaalsContact C-N 3.26Å; L339-V341 PolarHBondContact O-N 3.39Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.27Å; V341-I344 PolarHBondContact O-N 2.84Å; V341-H345 PolarHBondContact O-N 3.21Å; V341-Y348 HydrophobicContact CG1-CD1 3.39Å; V341-Y348 HydrophobicContact CG1-CD2 4.17Å; V341-Y348 HydrophobicContact CG1-CE1 4.1Å; V341-Y348 HydrophobicContact CG1-CG 3.43Å; V341-Y348 VanDerWaalsContact CG1-CG 3.43Å |
| 342 | E | 97.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 48 Ų | 48 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.8 | -26.2 | 179.7 | -65.6 | -60.7 | 136 | 0 | 0 | 113.3 | F338 L339 P346 A347 Y348 N352 Y353 L356 | F338-E342 PolarHBondContact O-N 3.2Å; L339-E342 PolarHBondContact O-N 2.9Å; E342-P346 WeakPolarHBondContact O-CA 3.45Å; E342-A347 WeakPolarHBondContact OE2-CA 3.36Å; E342-A347 PolarHBondContact OE2-N 2.95Å; E342-Y348 PolarHBondContact OE1-N 3.38Å; E342-N352 WeakPolarHBondContact CG-ND2 3.25Å; E342-N352 PolarHBondContact OE1-ND2 3.01Å; E342-Y353 WeakPolarHBondContact OE1-CE2 3.13Å; E342-Y353 WeakPolarHBondContact OE2-CE2 3.46Å; E342-Y353 VanDerWaalsContact OE2-CZ 3.28Å; E342-Y353 PolarHBondContact OE2-OH 2.86Å; E342-L356 HydrophobicContact CG-CD1 4Å |
| 343 | E | 98 | Very high | 95.8 | Very high | 135 Ų | 135 | 44.7 Ų | 44.7 | 63% | 0.631 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.9 | -41.8 | 172.1 | -171.3 | -163.8 | 136.4 | 0 | 0 | 111.4 | L339 K340 V341 | L339-E343 PolarHBondContact O-N 2.89Å; K340-E343 HydrophobicContact CD-CB 4.39Å; K340-E343 VanDerWaalsContact CD-OE2 3.26Å; K340-E343 WeakPolarHBondContact CD-OE2 3.49Å; K340-E343 IonicContact NZ-OE1 3.36Å; K340-E343 PolarHBondContact NZ-OE1 3.38Å; K340-E343 IonicContact NZ-OE2 3.24Å; K340-E343 PolarHBondContact NZ-OE2 3.24Å; K340-E343 WeakPolarHBondContact O-CB 3.33Å; K340-E343 PolarHBondContact O-N 3.38Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.27Å |
| 344 | I | 97.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77 | -46.7 | -179.6 | -64.6 | 166.8 | 0 | 0 | 0 | 110.8 | Q293 P295 Y298 K340 V341 | Q293-I344 WeakPolarHBondContact O-CG2 3.3Å; P295-I344 HydrophobicContact CB-CB 4.48Å; P295-I344 HydrophobicContact CB-CG2 4.23Å; P295-I344 HydrophobicContact CG-CG2 4.34Å; Y298-I344 HydrophobicContact CD2-CD1 3.47Å; Y298-I344 VanDerWaalsContact CD2-CD1 3.47Å; Y298-I344 HydrophobicContact CE2-CD1 3.51Å; K340-I344 HydrophobicContact CD-CD1 4.31Å; K340-I344 HydrophobicContact CD-CG1 4.4Å; K340-I344 HydrophobicContact CG-CD1 4.02Å; K340-I344 VanDerWaalsContact O-CG1 3.31Å; K340-I344 WeakPolarHBondContact O-CG1 3.38Å; K340-I344 PolarHBondContact O-N 3.01Å; V341-I344 PolarHBondContact O-N 2.84Å |
| 345 | H | 95.7 | Very high | 95.7 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 44% | 0.44 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -135.5 | 95.3 | -177.7 | -169.3 | 170.3 | 0 | 0 | 0 | 109.6 | P295 V341 Y348 | P295-H345 HydrophobicContact CB-CB 4.2Å; P295-H345 HydrophobicContact CG-CB 4.17Å; V341-H345 PolarHBondContact O-N 3.21Å; H345-Y348 HydrophobicContact CB-CD2 3.96Å; H345-Y348 AromaticContact CG-CD2 3.89Å; H345-Y348 AromaticContact ND1-CD2 3.54Å; H345-Y348 WeakPolarHBondContact O-CB 3.27Å; H345-Y348 PolarHBondContact O-N 2.85Å |
| 346 | P | 95.7 | Very high | 95.7 | Very high | 92 Ų | 92 | 41 Ų | 41 | 60% | 0.597 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 139.5 | 176.6 | -24.9 | 34.4 | 0 | 0 | 0 | 112 | E342 Y348 | E342-P346 WeakPolarHBondContact O-CA 3.45Å; P346-Y348 VanDerWaalsContact C-N 3.27Å; P346-Y348 PolarHBondContact O-N 2.64Å |
| 347 | A | 91.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 33.7 Ų | 33.7 | 49% | 0.488 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 34.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E342 S349 M379 | E342-A347 WeakPolarHBondContact OE2-CA 3.36Å; E342-A347 PolarHBondContact OE2-N 2.95Å; A347-S349 PolarHBondContact O-N 2.74Å; A347-M379 WeakPolarHBondContact O-CE 3.43Å |
| 348 | Y | 91.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | trans | -51.7 | -56.9 | -171.3 | 177.1 | -108.1 | 0 | 0 | 0 | 113.6 | P295 Y299 V341 E342 H345 P346 N352 | P295-Y348 HydrophobicContact CB-CD2 3.84Å; P295-Y348 HydrophobicContact CB-CE2 3.71Å; P295-Y348 HydrophobicContact CG-CD2 3.98Å; P295-Y348 HydrophobicContact CG-CE2 3.59Å; Y299-Y348 HydrophobicContact CD2-CE1 4.4Å; Y299-Y348 HydrophobicContact CG-CE1 4.22Å; V341-Y348 HydrophobicContact CG1-CD1 3.39Å; V341-Y348 HydrophobicContact CG1-CD2 4.17Å; V341-Y348 HydrophobicContact CG1-CE1 4.1Å; V341-Y348 HydrophobicContact CG1-CG 3.43Å; V341-Y348 VanDerWaalsContact CG1-CG 3.43Å; E342-Y348 PolarHBondContact OE1-N 3.38Å; H345-Y348 HydrophobicContact CB-CD2 3.96Å; H345-Y348 AromaticContact CG-CD2 3.89Å; H345-Y348 AromaticContact ND1-CD2 3.54Å; H345-Y348 WeakPolarHBondContact O-CB 3.27Å; H345-Y348 PolarHBondContact O-N 2.85Å; P346-Y348 VanDerWaalsContact C-N 3.27Å; P346-Y348 PolarHBondContact O-N 2.64Å; Y348-N352 HydrophobicContact CD1-CB 4.37Å | ||
| 349 | S | 91.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | trans | -155.8 | 149.1 | 178.6 | 80 | 0 | 0 | 0 | 0 | 112.1 | A347 L351 N352 Y353 | A347-S349 PolarHBondContact O-N 2.74Å; S349-L351 PolarHBondContact O-N 2.89Å; S349-N352 WeakPolarHBondContact O-CB 3.34Å; S349-N352 PolarHBondContact O-N 3.1Å; S349-N352 VanDerWaalsContact O-N 3.09Å; S349-N352 WeakPolarHBondContact OG-CB 3.41Å; S349-N352 PolarHBondContact OG-N 3.42Å; S349-N352 VanDerWaalsContact OG-N 3.1Å; S349-Y353 WeakPolarHBondContact O-CD2 3.31Å; S349-Y353 PolarHBondContact O-N 3.07Å | ||
| 350 | K | 92.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -39.2 | 176.5 | -172.4 | 174.1 | -178.8 | 132.1 | 0 | 111.7 | N352 Y353 V354 A376 M379 T381 D386 A389 | K350-N352 VanDerWaalsContact C-N 3.33Å; K350-N352 PolarHBondContact O-N 3.29Å; K350-Y353 PolarHBondContact O-N 3.31Å; K350-V354 WeakPolarHBondContact O-CG2 3.32Å; K350-V354 PolarHBondContact O-N 3.16Å; K350-V354 VanDerWaalsContact O-N 3.14Å; K350-A376 WeakPolarHBondContact CE-O 3.47Å; K350-A376 HydrophobicContact CG-CB 4.26Å; K350-A376 PolarHBondContact NZ-O 3.45Å; K350-A376 VanDerWaalsContact NZ-O 3.07Å; K350-M379 VanDerWaalsContact CA-SD 3.57Å; K350-M379 HydrophobicContact CB-CB 4.24Å; K350-M379 HydrophobicContact CB-CE 4.42Å; K350-M379 HydrophobicContact CB-SD 4.09Å; K350-M379 HydrophobicContact CD-CB 4.32Å; K350-M379 HydrophobicContact CG-CB 4.23Å; K350-M379 PolarHBondContact NZ-O 2.86Å; K350-T381 HydrophobicContact CD-CG2 4.27Å; K350-D386 HydrophobicContact CD-CB 4.29Å; K350-A389 HydrophobicContact CB-CB 4Å; K350-A389 HydrophobicContact CD-CB 4.05Å; K350-A389 HydrophobicContact CG-CB 3.73Å |
| 351 | L | 91.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -32.5 | 179.5 | -167.6 | 53.5 | 0 | 0 | 0 | 112.2 | Y299 S349 V354 F355 E385 A389 | Y299-L351 WeakPolarHBondContact OH-CD2 3.48Å; Y299-L351 WeakPolarHBondContact OH-CG 3.13Å; S349-L351 PolarHBondContact O-N 2.89Å; L351-V354 HydrophobicContact CD1-CB 4.33Å; L351-V354 HydrophobicContact CD1-CG1 4.41Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 PolarHBondContact O-N 3.15Å; L351-F355 HydrophobicContact CD1-CD2 4.3Å; L351-F355 HydrophobicContact CD1-CE2 3.89Å; L351-F355 HydrophobicContact CD2-CE2 4.3Å; L351-F355 HydrophobicContact CG-CD2 4.06Å; L351-F355 HydrophobicContact CG-CE2 3.76Å; L351-F355 VanDerWaalsContact O-CD2 3.24Å; L351-F355 WeakPolarHBondContact O-CD2 3.44Å; L351-F355 PolarHBondContact O-N 3.07Å; L351-E385 HydrophobicContact CB-CG 4.34Å; L351-E385 HydrophobicContact CD2-CG 3.89Å; L351-A389 HydrophobicContact CB-CB 3.89Å; L351-A389 HydrophobicContact CD1-CB 3.93Å; L351-A389 HydrophobicContact CG-CB 4.47Å |
| 352 | N | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.7 | -169.3 | 55.1 | 0 | 0 | 0 | 111.6 | Y299 F338 E342 Y348 S349 K350 V354 F355 L356 | Y299-N352 HydrophobicContact CD2-CB 4.2Å; Y299-N352 HydrophobicContact CE2-CB 4.21Å; F338-N352 WeakPolarHBondContact CD1-OD1 3.26Å; F338-N352 PolarHBondContact O-ND2 3.46Å; E342-N352 WeakPolarHBondContact CG-ND2 3.25Å; E342-N352 PolarHBondContact OE1-ND2 3.01Å; Y348-N352 HydrophobicContact CD1-CB 4.37Å; S349-N352 WeakPolarHBondContact O-CB 3.34Å; S349-N352 PolarHBondContact O-N 3.1Å; S349-N352 VanDerWaalsContact O-N 3.09Å; S349-N352 WeakPolarHBondContact OG-CB 3.41Å; S349-N352 PolarHBondContact OG-N 3.42Å; S349-N352 VanDerWaalsContact OG-N 3.1Å; K350-N352 VanDerWaalsContact C-N 3.33Å; K350-N352 PolarHBondContact O-N 3.29Å; N352-V354 VanDerWaalsContact C-N 3.32Å; N352-V354 PolarHBondContact O-N 3.15Å; N352-F355 PolarHBondContact O-N 2.87Å; N352-F355 VanDerWaalsContact O-N 3.11Å; N352-L356 WeakPolarHBondContact O-CG 3.47Å; N352-L356 PolarHBondContact O-N 3.35Å |
| 353 | Y | 95.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.4 | -78.8 | -89.9 | 0 | 0 | 0 | 113 | E342 S349 K350 F355 L356 A357 M372 A375 M379 | E342-Y353 WeakPolarHBondContact OE1-CE2 3.13Å; E342-Y353 WeakPolarHBondContact OE2-CE2 3.46Å; E342-Y353 VanDerWaalsContact OE2-CZ 3.28Å; E342-Y353 PolarHBondContact OE2-OH 2.86Å; S349-Y353 WeakPolarHBondContact O-CD2 3.31Å; S349-Y353 PolarHBondContact O-N 3.07Å; K350-Y353 PolarHBondContact O-N 3.31Å; Y353-F355 VanDerWaalsContact C-N 3.32Å; Y353-F355 PolarHBondContact O-N 3.4Å; Y353-L356 HydrophobicContact CD1-CD1 4.48Å; Y353-L356 PolarHBondContact O-N 3.44Å; Y353-A357 WeakPolarHBondContact O-CB 3.39Å; Y353-A357 PolarHBondContact O-N 3.39Å; Y353-M372 HydrophobicContact CD1-SD 3.98Å; Y353-M372 HydrophobicContact CE1-SD 4.23Å; Y353-A375 HydrophobicContact CD1-CB 3.54Å; Y353-A375 HydrophobicContact CE1-CB 3.64Å; Y353-A375 HydrophobicContact CG-CB 4.34Å; Y353-M379 HydrophobicContact CD2-SD 3.68Å; Y353-M379 HydrophobicContact CE2-SD 4.06Å; Y353-M379 HydrophobicContact CG-SD 4.45Å |
| 354 | V | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 173 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | K350 L351 N352 A357 K358 A376 A389 E392 L393 L396 | K350-V354 WeakPolarHBondContact O-CG2 3.32Å; K350-V354 PolarHBondContact O-N 3.16Å; K350-V354 VanDerWaalsContact O-N 3.14Å; L351-V354 HydrophobicContact CD1-CB 4.33Å; L351-V354 HydrophobicContact CD1-CG1 4.41Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 PolarHBondContact O-N 3.15Å; N352-V354 VanDerWaalsContact C-N 3.32Å; N352-V354 PolarHBondContact O-N 3.15Å; V354-A357 WeakPolarHBondContact O-CB 3.38Å; V354-A357 PolarHBondContact O-N 3.12Å; V354-K358 HydrophobicContact CG1-CD 4.41Å; V354-K358 WeakPolarHBondContact O-CG 3.45Å; V354-K358 PolarHBondContact O-N 2.87Å; V354-A376 HydrophobicContact CG2-CB 4.23Å; V354-A389 HydrophobicContact CG2-CB 4.23Å; V354-A389 WeakPolarHBondContact CG2-O 3.29Å; V354-E392 HydrophobicContact CG1-CB 3.79Å; V354-L393 HydrophobicContact CG2-CB 4.07Å; V354-L393 HydrophobicContact CG2-CD1 4.44Å; V354-L396 HydrophobicContact CG1-CD1 3.86Å |
| 355 | F | 95.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 175.8 | -83 | -63.1 | 0 | 0 | 0 | 113.5 | L22 Y299 R303 Y306 F338 L351 N352 Y353 A357 K358 C359 | L22-F355 HydrophobicContact CD2-CE1 3.41Å; L22-F355 VanDerWaalsContact CD2-CE1 3.41Å; L22-F355 HydrophobicContact CD2-CE2 4.48Å; L22-F355 HydrophobicContact CD2-CZ 3.31Å; L22-F355 HydrophobicContact CG-CZ 4.18Å; Y299-F355 HydrophobicContact CE2-CD2 4.3Å; R303-F355 HydrophobicContact CG-CD2 4.47Å; R303-F355 HydrophobicContact CG-CE2 4.16Å; R303-F355 HydrophobicContact CG-CZ 4.48Å; Y306-F355 HydrophobicContact CD1-CD1 4.37Å; Y306-F355 HydrophobicContact CD1-CE1 4.15Å; Y306-F355 HydrophobicContact CE1-CE1 4.46Å; Y306-F355 HydrophobicContact CG-CD1 4.43Å; F338-F355 HydrophobicContact CD1-CB 4.24Å; F338-F355 HydrophobicContact CD2-CB 3.84Å; F338-F355 HydrophobicContact CE1-CB 3.9Å; F338-F355 HydrophobicContact CE1-CD2 4.25Å; F338-F355 HydrophobicContact CE1-CG 4.09Å; F338-F355 HydrophobicContact CE2-CB 3.5Å; F338-F355 VanDerWaalsContact CE2-CB 3.5Å; F338-F355 HydrophobicContact CE2-CD1 4.15Å; F338-F355 AromaticContact CE2-CG 3.94Å; F338-F355 HydrophobicContact CE2-CG 3.94Å; F338-F355 HydrophobicContact CG-CB 4.2Å; F338-F355 HydrophobicContact CZ-CB 3.49Å; F338-F355 VanDerWaalsContact CZ-CB 3.49Å; F338-F355 AromaticContact CZ-CD1 3.93Å; F338-F355 HydrophobicContact CZ-CD1 3.93Å; F338-F355 HydrophobicContact CZ-CD2 4.06Å; F338-F355 AromaticContact CZ-CG 3.54Å; F338-F355 HydrophobicContact CZ-CG 3.54Å; L351-F355 HydrophobicContact CD1-CD2 4.3Å; L351-F355 HydrophobicContact CD1-CE2 3.89Å; L351-F355 HydrophobicContact CD2-CE2 4.3Å; L351-F355 HydrophobicContact CG-CD2 4.06Å; L351-F355 HydrophobicContact CG-CE2 3.76Å; L351-F355 VanDerWaalsContact O-CD2 3.24Å; L351-F355 WeakPolarHBondContact O-CD2 3.44Å; L351-F355 PolarHBondContact O-N 3.07Å; N352-F355 PolarHBondContact O-N 2.87Å; N352-F355 VanDerWaalsContact O-N 3.11Å; Y353-F355 VanDerWaalsContact C-N 3.32Å; Y353-F355 PolarHBondContact O-N 3.4Å; F355-A357 VanDerWaalsContact C-N 3.29Å; F355-A357 PolarHBondContact O-N 3.47Å; F355-K358 HydrophobicContact CD1-CD 3.98Å; F355-K358 HydrophobicContact CE1-CD 4.07Å; F355-K358 WeakPolarHBondContact O-CB 3.35Å; F355-K358 PolarHBondContact O-N 3.48Å; F355-C359 PolarHBondContact O-N 3.04Å; F355-C359 PolarHBondContact O-SG 2.95Å |
| 356 | L | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 170.9 | -72.2 | 171.2 | 0 | 0 | 0 | 110.8 | L335 F338 L339 E342 N352 Y353 C359 Y360 M372 | L335-L356 HydrophobicContact CD1-CD2 3.66Å; F338-L356 HydrophobicContact CB-CD2 3.5Å; F338-L356 VanDerWaalsContact CB-CD2 3.5Å; F338-L356 HydrophobicContact CB-CG 3.92Å; L339-L356 HydrophobicContact CD2-CD2 3.79Å; L339-L356 HydrophobicContact CG-CD2 3.88Å; E342-L356 HydrophobicContact CG-CD1 4Å; N352-L356 WeakPolarHBondContact O-CG 3.47Å; N352-L356 PolarHBondContact O-N 3.35Å; Y353-L356 HydrophobicContact CD1-CD1 4.48Å; Y353-L356 PolarHBondContact O-N 3.44Å; L356-C359 PolarHBondContact O-N 2.92Å; L356-Y360 WeakPolarHBondContact O-CD2 3.45Å; L356-Y360 PolarHBondContact O-N 3.06Å; L356-M372 HydrophobicContact CB-CB 4.26Å; L356-M372 HydrophobicContact CB-CG 3.78Å; L356-M372 HydrophobicContact CB-SD 3.96Å; L356-M372 HydrophobicContact CD1-SD 3.89Å |
| 357 | A | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y353 V354 F355 C359 Y360 K361 M372 C373 | Y353-A357 WeakPolarHBondContact O-CB 3.39Å; Y353-A357 PolarHBondContact O-N 3.39Å; V354-A357 WeakPolarHBondContact O-CB 3.38Å; V354-A357 PolarHBondContact O-N 3.12Å; F355-A357 VanDerWaalsContact C-N 3.29Å; F355-A357 PolarHBondContact O-N 3.47Å; A357-C359 PolarHBondContact O-N 3.22Å; A357-Y360 PolarHBondContact O-N 3.27Å; A357-K361 VanDerWaalsContact O-CB 3.29Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.17Å; A357-M372 HydrophobicContact CB-CB 3.8Å; A357-C373 VanDerWaalsContact CB-SG 3.58Å |
| 358 | K | 95 | Very high | 94.9 | Very high | 25 Ų | 25 | 39 Ų | 39 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 175 | -75 | 176 | 177.7 | -178.1 | 0 | 111.7 | Y306 V354 F355 K361 A362 E392 L396 | Y306-K358 HydrophobicContact CE1-CD 4.46Å; Y306-K358 HydrophobicContact CE2-CB 3.85Å; V354-K358 HydrophobicContact CG1-CD 4.41Å; V354-K358 WeakPolarHBondContact O-CG 3.45Å; V354-K358 PolarHBondContact O-N 2.87Å; F355-K358 HydrophobicContact CD1-CD 3.98Å; F355-K358 HydrophobicContact CE1-CD 4.07Å; F355-K358 WeakPolarHBondContact O-CB 3.35Å; F355-K358 PolarHBondContact O-N 3.48Å; K358-K361 PolarHBondContact O-N 3.27Å; K358-A362 WeakPolarHBondContact O-CB 3.3Å; K358-A362 PolarHBondContact O-N 3.18Å; K358-E392 WeakPolarHBondContact CE-OE2 3.25Å; K358-E392 IonicContact NZ-OE2 3.01Å; K358-E392 PolarHBondContact NZ-OE2 3.2Å; K358-L396 HydrophobicContact CD-CD1 4.32Å; K358-L396 HydrophobicContact CG-CD1 3.58Å; K358-L396 HydrophobicContact CG-CD2 3.85Å; K358-L396 HydrophobicContact CG-CG 4.3Å |
| 359 | C | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 179.5 | -64 | 0 | 0 | 0 | 0 | 111.1 | V331 L335 F355 L356 A357 K361 A362 L363 | V331-C359 HydrophobicContact CG1-CB 3.88Å; L335-C359 HydrophobicContact CB-CB 3.95Å; L335-C359 HydrophobicContact CD1-CB 4.07Å; L335-C359 HydrophobicContact CG-CB 4.49Å; F355-C359 PolarHBondContact O-N 3.04Å; F355-C359 PolarHBondContact O-SG 2.95Å; L356-C359 PolarHBondContact O-N 2.92Å; A357-C359 PolarHBondContact O-N 3.22Å; C359-K361 VanDerWaalsContact C-N 3.28Å; C359-K361 PolarHBondContact O-N 3.01Å; C359-A362 PolarHBondContact O-N 3.4Å; C359-L363 VanDerWaalsContact O-CG 3.29Å; C359-L363 WeakPolarHBondContact O-CG 3.48Å; C359-L363 PolarHBondContact O-N 2.88Å |
| 360 | Y | 97.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 178 | -76.8 | -53.6 | 0 | 0 | 0 | 112.8 | L335 L356 A357 L363 G364 Q365 K368 M372 | L335-Y360 HydrophobicContact CD1-CD1 4.38Å; L335-Y360 HydrophobicContact CD1-CD2 4.38Å; L335-Y360 HydrophobicContact CD1-CE1 3.97Å; L335-Y360 HydrophobicContact CD1-CE2 3.96Å; L335-Y360 HydrophobicContact CD2-CD1 4.05Å; L335-Y360 HydrophobicContact CD2-CE1 3.66Å; L335-Y360 HydrophobicContact CG-CE1 4.45Å; L356-Y360 WeakPolarHBondContact O-CD2 3.45Å; L356-Y360 PolarHBondContact O-N 3.06Å; A357-Y360 PolarHBondContact O-N 3.27Å; Y360-L363 CarbonylContact O-C 3.3Å; Y360-L363 PolarHBondContact O-N 2.78Å; Y360-G364 PolarHBondContact O-N 3.4Å; Y360-Q365 HydrophobicContact CD1-CB 3.98Å; Y360-Q365 HydrophobicContact CD1-CG 4.49Å; Y360-Q365 VanDerWaalsContact CD1-OE1 3.31Å; Y360-Q365 WeakPolarHBondContact O-CA 3.31Å; Y360-Q365 PolarHBondContact O-N 3.46Å; Y360-K368 HydrophobicContact CD1-CB 3.8Å; Y360-K368 HydrophobicContact CD1-CD 3.82Å; Y360-K368 HydrophobicContact CD1-CG 4.49Å; Y360-K368 HydrophobicContact CD2-CB 3.83Å; Y360-K368 HydrophobicContact CE1-CB 4.07Å; Y360-K368 HydrophobicContact CE1-CD 3.4Å; Y360-K368 VanDerWaalsContact CE1-CD 3.4Å; Y360-K368 HydrophobicContact CE1-CG 4.42Å; Y360-K368 HydrophobicContact CE2-CB 4.09Å; Y360-K368 HydrophobicContact CE2-CD 4.47Å; Y360-K368 HydrophobicContact CG-CB 3.68Å; Y360-K368 HydrophobicContact CG-CD 4.5Å; Y360-M372 HydrophobicContact CD2-CG 3.72Å; Y360-M372 HydrophobicContact CE2-CG 3.83Å; Y360-M372 HydrophobicContact CE2-SD 4.25Å |
| 361 | K | 95.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 45.2 Ų | 45.2 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.8 | -175.3 | 176.6 | -177.7 | 174.9 | 0 | 111.4 | A357 K358 C359 L363 G364 A369 L396 | A357-K361 VanDerWaalsContact O-CB 3.29Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.17Å; K358-K361 PolarHBondContact O-N 3.27Å; C359-K361 VanDerWaalsContact C-N 3.28Å; C359-K361 PolarHBondContact O-N 3.01Å; K361-L363 PolarHBondContact O-N 3.36Å; K361-G364 PolarHBondContact O-N 2.91Å; K361-A369 HydrophobicContact CB-CB 4.12Å; K361-L396 HydrophobicContact CD-CD2 4.26Å; K361-L396 PolarHBondContact NZ-O 3.3Å |
| 362 | A | 93.1 | Very high | 95.6 | Very high | 60 Ų | 60 | 47 Ų | 47 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -29.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V331 K358 C359 G364 | V331-A362 HydrophobicContact CG1-CB 3.97Å; V331-A362 HydrophobicContact CG2-CB 4.27Å; K358-A362 WeakPolarHBondContact O-CB 3.3Å; K358-A362 PolarHBondContact O-N 3.18Å; C359-A362 PolarHBondContact O-N 3.4Å; A362-G364 VanDerWaalsContact C-N 3.3Å; A362-G364 PolarHBondContact O-N 2.86Å |
| 363 | L | 96.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.7 | 174 | -61.7 | 175.5 | 0 | 0 | 0 | 114.2 | V331 E332 L335 C359 Y360 K361 Q365 | V331-L363 HydrophobicContact CB-CD2 4.15Å; V331-L363 HydrophobicContact CG1-CD1 4.32Å; V331-L363 HydrophobicContact CG1-CD2 4.07Å; V331-L363 HydrophobicContact CG1-CG 3.88Å; E332-L363 VanDerWaalsContact CD-CD2 3.45Å; E332-L363 HydrophobicContact CG-CD1 4.38Å; E332-L363 HydrophobicContact CG-CD2 4.05Å; E332-L363 WeakPolarHBondContact OE1-CD2 3.31Å; L335-L363 HydrophobicContact CD2-CD1 3.63Å; C359-L363 VanDerWaalsContact O-CG 3.29Å; C359-L363 WeakPolarHBondContact O-CG 3.48Å; C359-L363 PolarHBondContact O-N 2.88Å; Y360-L363 CarbonylContact O-C 3.3Å; Y360-L363 PolarHBondContact O-N 2.78Å; K361-L363 PolarHBondContact O-N 3.36Å; L363-Q365 HydrophobicContact CB-CG 4.3Å; L363-Q365 PolarHBondContact O-N 3.25Å |
| 364 | G | 94.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 11.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y360 K361 A362 S366 | Y360-G364 PolarHBondContact O-N 3.4Å; K361-G364 PolarHBondContact O-N 2.91Å; A362-G364 VanDerWaalsContact C-N 3.3Å; A362-G364 PolarHBondContact O-N 2.86Å; G364-S366 VanDerWaalsContact C-N 3.33Å; G364-S366 PolarHBondContact O-N 3.23Å; G364-S366 VanDerWaalsContact O-N 3.16Å |
| 365 | Q | 96.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | trans | -89.6 | 62.5 | -179.3 | -58.9 | -175.3 | 23.1 | 0 | 0 | 111.3 | Y360 L363 E367 K368 A369 | Y360-Q365 HydrophobicContact CD1-CB 3.98Å; Y360-Q365 HydrophobicContact CD1-CG 4.49Å; Y360-Q365 VanDerWaalsContact CD1-OE1 3.31Å; Y360-Q365 WeakPolarHBondContact O-CA 3.31Å; Y360-Q365 PolarHBondContact O-N 3.46Å; L363-Q365 HydrophobicContact CB-CG 4.3Å; L363-Q365 PolarHBondContact O-N 3.25Å; Q365-E367 VanDerWaalsContact C-N 3.34Å; Q365-E367 PolarHBondContact O-N 2.91Å; Q365-K368 HydrophobicContact CB-CB 4.4Å; Q365-K368 PolarHBondContact O-N 3.16Å; Q365-K368 VanDerWaalsContact O-N 3.09Å; Q365-K368 VanDerWaalsContact OE1-CD 3.3Å; Q365-A369 PolarHBondContact O-N 3.44Å | ||
| 366 | S | 94.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 51.3 Ų | 51.3 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -54.9 | -40.3 | -171.3 | -56.8 | 0 | 0 | 0 | 0 | 114.8 | G364 K368 A369 R370 | G364-S366 VanDerWaalsContact C-N 3.33Å; G364-S366 PolarHBondContact O-N 3.23Å; G364-S366 VanDerWaalsContact O-N 3.16Å; S366-K368 PolarHBondContact O-N 2.98Å; S366-A369 PolarHBondContact O-N 3.04Å; S366-R370 PolarHBondContact O-N 2.78Å |
| 367 | E | 95.4 | Very high | 95.1 | Very high | 117 Ų | 117 | 54.6 Ų | 54.6 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 178.4 | -77.3 | -58.8 | 138.2 | 0 | 0 | 112.6 | Q365 R370 K371 | Q365-E367 VanDerWaalsContact C-N 3.34Å; Q365-E367 PolarHBondContact O-N 2.91Å; E367-R370 IonicContact OE2-CZ 3.12Å; E367-R370 IonicContact OE2-NE 3.99Å; E367-R370 IonicContact OE2-NH2 3.93Å; E367-R370 PolarHBondContact OE2-NH2 3.09Å; E367-K371 WeakPolarHBondContact O-CG 3.37Å; E367-K371 PolarHBondContact O-N 3.38Å; E367-K371 VanDerWaalsContact O-N 3.14Å |
| 368 | K | 96.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 176.4 | -65.6 | -170.9 | -167.3 | 165.1 | 0 | 110.8 | Y360 Q365 S366 R370 K371 M372 | Y360-K368 HydrophobicContact CD1-CB 3.8Å; Y360-K368 HydrophobicContact CD1-CD 3.82Å; Y360-K368 HydrophobicContact CD1-CG 4.49Å; Y360-K368 HydrophobicContact CD2-CB 3.83Å; Y360-K368 HydrophobicContact CE1-CB 4.07Å; Y360-K368 HydrophobicContact CE1-CD 3.4Å; Y360-K368 VanDerWaalsContact CE1-CD 3.4Å; Y360-K368 HydrophobicContact CE1-CG 4.42Å; Y360-K368 HydrophobicContact CE2-CB 4.09Å; Y360-K368 HydrophobicContact CE2-CD 4.47Å; Y360-K368 HydrophobicContact CG-CB 3.68Å; Y360-K368 HydrophobicContact CG-CD 4.5Å; Q365-K368 HydrophobicContact CB-CB 4.4Å; Q365-K368 PolarHBondContact O-N 3.16Å; Q365-K368 VanDerWaalsContact O-N 3.09Å; Q365-K368 VanDerWaalsContact OE1-CD 3.3Å; S366-K368 PolarHBondContact O-N 2.98Å; K368-R370 VanDerWaalsContact C-N 3.32Å; K368-R370 PolarHBondContact O-N 2.9Å; K368-K371 PolarHBondContact O-N 3.42Å; K368-M372 WeakPolarHBondContact O-CG 3.37Å; K368-M372 PolarHBondContact O-N 3.46Å |
| 369 | A | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K361 Q365 S366 K371 M372 C373 | K361-A369 HydrophobicContact CB-CB 4.12Å; Q365-A369 PolarHBondContact O-N 3.44Å; S366-A369 PolarHBondContact O-N 3.04Å; A369-K371 PolarHBondContact O-N 3.48Å; A369-M372 PolarHBondContact O-N 3.38Å; A369-C373 PolarHBondContact O-N 3.5Å; A369-C373 PolarHBondContact O-SG 2.95Å; A369-C373 VanDerWaalsContact O-SG 3.4Å |
| 370 | R | 94.5 | Very high | 94.2 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 176.1 | -176 | -179.1 | 60.6 | 78.9 | 1.9 | 112.2 | S366 E367 K368 M372 C373 E374 F397 | S366-R370 PolarHBondContact O-N 2.78Å; E367-R370 IonicContact OE2-CZ 3.12Å; E367-R370 IonicContact OE2-NE 3.99Å; E367-R370 IonicContact OE2-NH2 3.93Å; E367-R370 PolarHBondContact OE2-NH2 3.09Å; K368-R370 VanDerWaalsContact C-N 3.32Å; K368-R370 PolarHBondContact O-N 2.9Å; R370-M372 VanDerWaalsContact C-N 3.29Å; R370-M372 PolarHBondContact O-N 3.26Å; R370-C373 WeakPolarHBondContact O-CB 2.96Å; R370-C373 PolarHBondContact O-N 3.12Å; R370-C373 VanDerWaalsContact O-N 3.16Å; R370-E374 WeakPolarHBondContact CG-OE1 3.33Å; R370-E374 IonicContact CZ-OE1 3.73Å; R370-E374 VanDerWaalsContact NH1-CD 3.25Å; R370-E374 IonicContact NH1-OE1 3.35Å; R370-E374 PolarHBondContact NH1-OE1 3.08Å; R370-E374 IonicContact NH1-OE2 3.24Å; R370-E374 PolarHBondContact NH1-OE2 3.36Å; R370-E374 VanDerWaalsContact NH1-OE2 3.16Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.05Å; R370-F397 HydrophobicContact CG-CE2 4.42Å; R370-F397 HydrophobicContact CG-CZ 4.32Å |
| 371 | K | 95.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 69.8 Ų | 69.8 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.5 | -72.3 | 177.1 | -177.6 | -175.3 | 0 | 112.5 | E367 K368 A369 E374 A375 | E367-K371 WeakPolarHBondContact O-CG 3.37Å; E367-K371 PolarHBondContact O-N 3.38Å; E367-K371 VanDerWaalsContact O-N 3.14Å; K368-K371 PolarHBondContact O-N 3.42Å; A369-K371 PolarHBondContact O-N 3.48Å; K371-E374 PolarHBondContact O-N 3.42Å; K371-A375 WeakPolarHBondContact O-CB 3.46Å; K371-A375 PolarHBondContact O-N 3.08Å |
| 372 | M | 96.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -39 | 176.8 | -62.1 | -58.2 | 101.2 | 0 | 0 | 111.6 | Y353 L356 A357 Y360 K368 A369 R370 A375 A376 | Y353-M372 HydrophobicContact CD1-SD 3.98Å; Y353-M372 HydrophobicContact CE1-SD 4.23Å; L356-M372 HydrophobicContact CB-CB 4.26Å; L356-M372 HydrophobicContact CB-CG 3.78Å; L356-M372 HydrophobicContact CB-SD 3.96Å; L356-M372 HydrophobicContact CD1-SD 3.89Å; A357-M372 HydrophobicContact CB-CB 3.8Å; Y360-M372 HydrophobicContact CD2-CG 3.72Å; Y360-M372 HydrophobicContact CE2-CG 3.83Å; Y360-M372 HydrophobicContact CE2-SD 4.25Å; K368-M372 WeakPolarHBondContact O-CG 3.37Å; K368-M372 PolarHBondContact O-N 3.46Å; A369-M372 PolarHBondContact O-N 3.38Å; R370-M372 VanDerWaalsContact C-N 3.29Å; R370-M372 PolarHBondContact O-N 3.26Å; M372-A375 PolarHBondContact O-N 2.99Å; M372-A376 WeakPolarHBondContact O-CB 3.33Å; M372-A376 PolarHBondContact O-N 3.48Å |
| 373 | C | 94 | Very high | 91.9 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 172.9 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | A357 A369 R370 A375 A376 S377 L393 | A357-C373 VanDerWaalsContact CB-SG 3.58Å; A369-C373 PolarHBondContact O-N 3.5Å; A369-C373 PolarHBondContact O-SG 2.95Å; A369-C373 VanDerWaalsContact O-SG 3.4Å; R370-C373 WeakPolarHBondContact O-CB 2.96Å; R370-C373 PolarHBondContact O-N 3.12Å; R370-C373 VanDerWaalsContact O-N 3.16Å; C373-A375 VanDerWaalsContact C-N 3.35Å; C373-A375 PolarHBondContact O-N 3.27Å; C373-A376 WeakPolarHBondContact O-CB 3.4Å; C373-A376 PolarHBondContact O-N 3.16Å; C373-S377 PolarHBondContact O-N 3.05Å; C373-S377 PolarHBondContact O-OG 3.22Å; C373-S377 VanDerWaalsContact O-OG 3.11Å; C373-L393 HydrophobicContact CB-CD1 3.67Å |
| 374 | E | 94.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 72.9 Ų | 72.9 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 177.7 | -74.2 | 168.7 | -177 | 0 | 0 | 111.3 | R370 K371 A376 S377 T378 | R370-E374 WeakPolarHBondContact CG-OE1 3.33Å; R370-E374 IonicContact CZ-OE1 3.73Å; R370-E374 VanDerWaalsContact NH1-CD 3.25Å; R370-E374 IonicContact NH1-OE1 3.35Å; R370-E374 PolarHBondContact NH1-OE1 3.08Å; R370-E374 IonicContact NH1-OE2 3.24Å; R370-E374 PolarHBondContact NH1-OE2 3.36Å; R370-E374 VanDerWaalsContact NH1-OE2 3.16Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.05Å; K371-E374 PolarHBondContact O-N 3.42Å; E374-A376 PolarHBondContact O-N 3.43Å; E374-S377 WeakPolarHBondContact O-CB 3.4Å; E374-S377 PolarHBondContact O-N 3.34Å; E374-T378 WeakPolarHBondContact O-CG2 3.17Å; E374-T378 PolarHBondContact O-N 2.91Å; E374-T378 VanDerWaalsContact O-N 3.12Å |
| 375 | A | 94.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y353 K371 M372 C373 S377 T378 M379 | Y353-A375 HydrophobicContact CD1-CB 3.54Å; Y353-A375 HydrophobicContact CE1-CB 3.64Å; Y353-A375 HydrophobicContact CG-CB 4.34Å; K371-A375 WeakPolarHBondContact O-CB 3.46Å; K371-A375 PolarHBondContact O-N 3.08Å; M372-A375 PolarHBondContact O-N 2.99Å; C373-A375 VanDerWaalsContact C-N 3.35Å; C373-A375 PolarHBondContact O-N 3.27Å; A375-S377 VanDerWaalsContact C-N 3.31Å; A375-S377 PolarHBondContact O-N 3.45Å; A375-T378 PolarHBondContact O-N 3.32Å; A375-T378 VanDerWaalsContact O-N 3.12Å; A375-T378 PolarHBondContact O-OG1 3.34Å; A375-M379 WeakPolarHBondContact O-CG 3.4Å; A375-M379 PolarHBondContact O-N 3.08Å |
| 376 | A | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K350 V354 M372 C373 E374 T378 M379 L393 | K350-A376 WeakPolarHBondContact CE-O 3.47Å; K350-A376 HydrophobicContact CG-CB 4.26Å; K350-A376 PolarHBondContact NZ-O 3.45Å; K350-A376 VanDerWaalsContact NZ-O 3.07Å; V354-A376 HydrophobicContact CG2-CB 4.23Å; M372-A376 WeakPolarHBondContact O-CB 3.33Å; M372-A376 PolarHBondContact O-N 3.48Å; C373-A376 WeakPolarHBondContact O-CB 3.4Å; C373-A376 PolarHBondContact O-N 3.16Å; E374-A376 PolarHBondContact O-N 3.43Å; A376-T378 VanDerWaalsContact C-N 3.3Å; A376-T378 PolarHBondContact O-N 2.9Å; A376-M379 PolarHBondContact O-N 3.36Å; A376-L393 HydrophobicContact CB-CD1 4.24Å; A376-L393 HydrophobicContact CB-CD2 3.77Å |
| 377 | S | 91.6 | Very high | 88.6 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | C373 E374 A375 M379 L393 | C373-S377 PolarHBondContact O-N 3.05Å; C373-S377 PolarHBondContact O-OG 3.22Å; C373-S377 VanDerWaalsContact O-OG 3.11Å; E374-S377 WeakPolarHBondContact O-CB 3.4Å; E374-S377 PolarHBondContact O-N 3.34Å; A375-S377 VanDerWaalsContact C-N 3.31Å; A375-S377 PolarHBondContact O-N 3.45Å; S377-M379 VanDerWaalsContact C-N 3.28Å; S377-M379 PolarHBondContact O-N 3.32Å; S377-L393 WeakPolarHBondContact OG-CD2 3.17Å |
| 378 | T | 92.3 | Very high | 87.8 | Confident | 114 Ų | 114 | 68 Ų | 68 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.9 | -13.1 | 177.8 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | E374 A375 A376 | E374-T378 WeakPolarHBondContact O-CG2 3.17Å; E374-T378 PolarHBondContact O-N 2.91Å; E374-T378 VanDerWaalsContact O-N 3.12Å; A375-T378 PolarHBondContact O-N 3.32Å; A375-T378 VanDerWaalsContact O-N 3.12Å; A375-T378 PolarHBondContact O-OG1 3.34Å; A376-T378 VanDerWaalsContact C-N 3.3Å; A376-T378 PolarHBondContact O-N 2.9Å |
| 379 | M | 91.3 | Very high | 87.2 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -80.6 | 139.5 | 178 | -62.3 | 178.8 | 79.2 | 0 | 0 | 111.6 | A347 K350 Y353 A375 A376 S377 | A347-M379 WeakPolarHBondContact O-CE 3.43Å; K350-M379 VanDerWaalsContact CA-SD 3.57Å; K350-M379 HydrophobicContact CB-CB 4.24Å; K350-M379 HydrophobicContact CB-CE 4.42Å; K350-M379 HydrophobicContact CB-SD 4.09Å; K350-M379 HydrophobicContact CD-CB 4.32Å; K350-M379 HydrophobicContact CG-CB 4.23Å; K350-M379 PolarHBondContact NZ-O 2.86Å; Y353-M379 HydrophobicContact CD2-SD 3.68Å; Y353-M379 HydrophobicContact CE2-SD 4.06Å; Y353-M379 HydrophobicContact CG-SD 4.45Å; A375-M379 WeakPolarHBondContact O-CG 3.4Å; A375-M379 PolarHBondContact O-N 3.08Å; A376-M379 PolarHBondContact O-N 3.36Å; S377-M379 VanDerWaalsContact C-N 3.28Å; S377-M379 PolarHBondContact O-N 3.32Å |
| 380 | N | 85.9 | Confident | 86.8 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | trans | -62.7 | 147.3 | 178.6 | -66.4 | -30.8 | 0 | 0 | 0 | 111.8 | V382 | N380-V382 HydrophobicContact CB-CG2 3.96Š| ||
| 381 | T | 83.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 64 Ų | 64 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | trans | -104 | 96.8 | 172.2 | 53.9 | 0 | 0 | 0 | 0 | 110 | K350 D386 Q390 | K350-T381 HydrophobicContact CD-CG2 4.27Å; T381-D386 HydrophobicContact CG2-CB 4.22Å; T381-Q390 HydrophobicContact CG2-CB 4.16Å | ||
| 382 | V | 78.9 | Confident | 86.1 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 75% | 0.745 | 33% | 0.326 | S | S | * | . | trans | -116.6 | -36.7 | -175.3 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | N380 D386 | N380-V382 HydrophobicContact CB-CG2 3.96Å; V382-D386 PolarHBondContact N-OD2 3.06Å; V382-D386 VanDerWaalsContact N-OD2 3.15Å | ||
| 383 | S | 74.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -97.7 | 163.6 | -179.5 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | E385 D386 E387 | S383-E385 PolarHBondContact O-N 3.08Å; S383-E385 PolarHBondContact OG-N 3.4Å; S383-D386 WeakPolarHBondContact CB-OD2 3.5Å; S383-D386 PolarHBondContact N-OD2 2.9Å; S383-D386 PolarHBondContact O-N 3.45Å; S383-D386 VanDerWaalsContact O-N 3.1Å; S383-D386 PolarHBondContact OG-N 2.98Å; S383-D386 VanDerWaalsContact OG-N 3.07Å; S383-D386 PolarHBondContact OG-OD2 3.08Å; S383-E387 PolarHBondContact O-N 3.49Å; S383-E387 VanDerWaalsContact O-N 3.15Å |
| 384 | K | 74.3 | Confident | 85.5 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 50% | 0.504 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -34.4 | 170.2 | -67.9 | -179.5 | -175.7 | 170.8 | 0 | 111.4 | F26 E185 E387 E388 | F26-K384 HydrophobicContact CE1-CD 4.43Å; E185-K384 IonicContact OE1-NZ 3.69Å; E185-K384 PolarHBondContact OE1-NZ 3.3Å; K384-E387 PolarHBondContact O-N 3.19Å; K384-E388 PolarHBondContact O-N 3.37Å; K384-E388 VanDerWaalsContact O-N 3.12Å |
| 385 | E | 74.3 | Confident | 85.2 | Confident | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 176 | -174.4 | -178.8 | -168.9 | 0 | 0 | 111.8 | L351 S383 E388 A389 | L351-E385 HydrophobicContact CB-CG 4.34Å; L351-E385 HydrophobicContact CD2-CG 3.89Å; S383-E385 PolarHBondContact O-N 3.08Å; S383-E385 PolarHBondContact OG-N 3.4Å; E385-E388 WeakPolarHBondContact O-CB 3.39Å; E385-E388 PolarHBondContact O-N 3.25Å; E385-A389 WeakPolarHBondContact O-CB 3.25Å; E385-A389 PolarHBondContact O-N 3.39Å |
| 386 | D | 79.6 | Confident | 84.6 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 177.4 | -57 | -49.5 | 0 | 0 | 0 | 112.1 | K350 T381 V382 S383 E388 A389 Q390 | K350-D386 HydrophobicContact CD-CB 4.29Å; T381-D386 HydrophobicContact CG2-CB 4.22Å; V382-D386 PolarHBondContact N-OD2 3.06Å; V382-D386 VanDerWaalsContact N-OD2 3.15Å; S383-D386 WeakPolarHBondContact CB-OD2 3.5Å; S383-D386 PolarHBondContact N-OD2 2.9Å; S383-D386 PolarHBondContact O-N 3.45Å; S383-D386 VanDerWaalsContact O-N 3.1Å; S383-D386 PolarHBondContact OG-N 2.98Å; S383-D386 VanDerWaalsContact OG-N 3.07Å; S383-D386 PolarHBondContact OG-OD2 3.08Å; D386-E388 VanDerWaalsContact C-N 3.31Å; D386-A389 PolarHBondContact O-N 3.15Å; D386-Q390 WeakPolarHBondContact O-CB 3.48Å; D386-Q390 PolarHBondContact O-N 2.94Å |
| 387 | E | 84 | Confident | 83.9 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 173.1 | -68.4 | -176.5 | -173 | 0 | 0 | 112.1 | S383 K384 K391 | S383-E387 PolarHBondContact O-N 3.49Å; S383-E387 VanDerWaalsContact O-N 3.15Å; K384-E387 PolarHBondContact O-N 3.19Å; E387-K391 WeakPolarHBondContact O-CD 3.34Å; E387-K391 VanDerWaalsContact O-CG 3.31Å; E387-K391 WeakPolarHBondContact O-CG 3.48Å; E387-K391 PolarHBondContact O-N 3.43Å; E387-K391 VanDerWaalsContact O-N 3.14Å |
| 388 | E | 78.4 | Confident | 82.8 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 9% | 0.093 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -52.1 | 170.4 | 160.4 | 171 | -165.2 | 0 | 0 | 110.9 | V25 K384 E385 D386 Q390 K391 E392 | V25-E388 HydrophobicContact CB-CB 4.08Å; V25-E388 HydrophobicContact CB-CG 3.56Å; V25-E388 WeakPolarHBondContact CB-OE1 3.39Å; V25-E388 HydrophobicContact CG1-CB 3.43Å; V25-E388 VanDerWaalsContact CG1-CB 3.43Å; V25-E388 HydrophobicContact CG1-CG 3.44Å; V25-E388 VanDerWaalsContact CG1-CG 3.44Å; V25-E388 HydrophobicContact CG2-CG 3.85Å; V25-E388 VanDerWaalsContact CG2-OE1 3.31Å; V25-E388 WeakPolarHBondContact CG2-OE1 3.41Å; K384-E388 PolarHBondContact O-N 3.37Å; K384-E388 VanDerWaalsContact O-N 3.12Å; E385-E388 WeakPolarHBondContact O-CB 3.39Å; E385-E388 PolarHBondContact O-N 3.25Å; D386-E388 VanDerWaalsContact C-N 3.31Å; E388-Q390 PolarHBondContact O-N 3.01Å; E388-K391 WeakPolarHBondContact O-CB 3.3Å; E388-K391 PolarHBondContact O-N 3.35Å; E388-E392 PolarHBondContact O-N 2.95Å |
| 389 | A | 84.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.2 | -38.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K350 L351 V354 E385 D386 E392 L393 | K350-A389 HydrophobicContact CB-CB 4Å; K350-A389 HydrophobicContact CD-CB 4.05Å; K350-A389 HydrophobicContact CG-CB 3.73Å; L351-A389 HydrophobicContact CB-CB 3.89Å; L351-A389 HydrophobicContact CD1-CB 3.93Å; L351-A389 HydrophobicContact CG-CB 4.47Å; V354-A389 HydrophobicContact CG2-CB 4.23Å; V354-A389 WeakPolarHBondContact CG2-O 3.29Å; E385-A389 WeakPolarHBondContact O-CB 3.25Å; E385-A389 PolarHBondContact O-N 3.39Å; D386-A389 PolarHBondContact O-N 3.15Å; A389-E392 PolarHBondContact O-N 2.89Å; A389-L393 WeakPolarHBondContact O-CB 3.08Å; A389-L393 PolarHBondContact O-N 3.13Å |
| 390 | Q | 87.9 | Confident | 78.7 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 23% | 0.229 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.3 | -170.5 | 60.4 | 55.9 | 0 | 0 | 112.3 | T381 D386 E388 E392 L393 D394 | T381-Q390 HydrophobicContact CG2-CB 4.16Å; D386-Q390 WeakPolarHBondContact O-CB 3.48Å; D386-Q390 PolarHBondContact O-N 2.94Å; E388-Q390 PolarHBondContact O-N 3.01Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; Q390-E392 PolarHBondContact O-N 3.01Å; Q390-L393 WeakPolarHBondContact O-CB 3.24Å; Q390-L393 PolarHBondContact O-N 2.83Å; Q390-D394 PolarHBondContact NE2-OD1 3.28Å; Q390-D394 PolarHBondContact O-N 2.74Å |
| 391 | K | 88.3 | Confident | 78.3 | Confident | 52 Ų | 52 | 76 Ų | 76 | 23% | 0.226 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.8 | -69.7 | 156.4 | -172.3 | 153 | 0 | 111.6 | R28 E387 E388 D394 L395 | R28-K391 HydrophobicContact CB-CD 4.38Å; E387-K391 WeakPolarHBondContact O-CD 3.34Å; E387-K391 VanDerWaalsContact O-CG 3.31Å; E387-K391 WeakPolarHBondContact O-CG 3.48Å; E387-K391 PolarHBondContact O-N 3.43Å; E387-K391 VanDerWaalsContact O-N 3.14Å; E388-K391 WeakPolarHBondContact O-CB 3.3Å; E388-K391 PolarHBondContact O-N 3.35Å; K391-D394 PolarHBondContact O-N 2.79Å; K391-L395 WeakPolarHBondContact O-CG 3.38Å; K391-L395 PolarHBondContact O-N 3.09Å |
| 392 | E | 87.1 | Confident | 78 | Confident | 45 Ų | 45 | 76 Ų | 76 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 177.3 | -73.2 | -66.5 | 141.5 | 0 | 0 | 112 | V354 K358 E388 A389 Q390 L395 L396 | V354-E392 HydrophobicContact CG1-CB 3.79Å; K358-E392 WeakPolarHBondContact CE-OE2 3.25Å; K358-E392 IonicContact NZ-OE2 3.01Å; K358-E392 PolarHBondContact NZ-OE2 3.2Å; E388-E392 PolarHBondContact O-N 2.95Å; A389-E392 PolarHBondContact O-N 2.89Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; Q390-E392 PolarHBondContact O-N 3.01Å; E392-L395 PolarHBondContact O-N 3.24Å; E392-L396 WeakPolarHBondContact O-CG 3.46Å; E392-L396 PolarHBondContact O-N 2.9Å; E392-L396 VanDerWaalsContact O-N 3.1Å |
| 393 | L | 88.7 | Confident | 78 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.3 | -175.5 | 58.8 | 0 | 0 | 0 | 111.5 | V354 C373 A376 S377 A389 Q390 L395 L396 F397 | V354-L393 HydrophobicContact CG2-CB 4.07Å; V354-L393 HydrophobicContact CG2-CD1 4.44Å; C373-L393 HydrophobicContact CB-CD1 3.67Å; A376-L393 HydrophobicContact CB-CD1 4.24Å; A376-L393 HydrophobicContact CB-CD2 3.77Å; S377-L393 WeakPolarHBondContact OG-CD2 3.17Å; A389-L393 WeakPolarHBondContact O-CB 3.08Å; A389-L393 PolarHBondContact O-N 3.13Å; Q390-L393 WeakPolarHBondContact O-CB 3.24Å; Q390-L393 PolarHBondContact O-N 2.83Å; L393-L395 PolarHBondContact O-N 3.48Å; L393-L396 PolarHBondContact O-N 3.13Å; L393-L396 VanDerWaalsContact O-N 3.1Å; L393-F397 PolarHBondContact O-N 3.26Å |
| 394 | D | 88.5 | Confident | 78.2 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 177.7 | -61.9 | -17.3 | 0 | 0 | 0 | 111.9 | Q390 K391 F397 P398 | Q390-D394 PolarHBondContact NE2-OD1 3.28Å; Q390-D394 PolarHBondContact O-N 2.74Å; K391-D394 PolarHBondContact O-N 2.79Å; D394-F397 CarbonylContact O-C 2.68Å; D394-P398 WeakPolarHBondContact O-CA 3.48Å |
| 395 | L | 87.3 | Confident | 78.4 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -35.5 | 175.1 | -69.6 | 173.3 | 0 | 0 | 0 | 112.6 | K391 E392 L393 | K391-L395 WeakPolarHBondContact O-CG 3.38Å; K391-L395 PolarHBondContact O-N 3.09Å; E392-L395 PolarHBondContact O-N 3.24Å; L393-L395 PolarHBondContact O-N 3.48Å |
| 396 | L | 82.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -74.2 | -33.1 | 179.5 | -73.1 | 167.9 | 0 | 0 | 0 | 112.7 | V354 K358 K361 E392 L393 | V354-L396 HydrophobicContact CG1-CD1 3.86Å; K358-L396 HydrophobicContact CD-CD1 4.32Å; K358-L396 HydrophobicContact CG-CD1 3.58Å; K358-L396 HydrophobicContact CG-CD2 3.85Å; K358-L396 HydrophobicContact CG-CG 4.3Å; K361-L396 HydrophobicContact CD-CD2 4.26Å; K361-L396 PolarHBondContact NZ-O 3.3Å; E392-L396 WeakPolarHBondContact O-CG 3.46Å; E392-L396 PolarHBondContact O-N 2.9Å; E392-L396 VanDerWaalsContact O-N 3.1Å; L393-L396 PolarHBondContact O-N 3.13Å; L393-L396 VanDerWaalsContact O-N 3.1Å |
| 397 | F | 78.2 | Confident | 78.6 | Confident | 118 Ų | 118 | 75.2 Ų | 75.2 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -137.5 | 78 | -175.7 | -139.5 | -90.1 | 0 | 0 | 0 | 110 | R370 L393 D394 S399 | R370-F397 HydrophobicContact CG-CE2 4.42Å; R370-F397 HydrophobicContact CG-CZ 4.32Å; L393-F397 PolarHBondContact O-N 3.26Å; D394-F397 CarbonylContact O-C 2.68Å; F397-S399 PolarHBondContact O-N 3.22Å |
| 398 | P | 70.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 73 Ų | 73 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | trans | -59.9 | 124.2 | 177.5 | -18.3 | 30.2 | 0 | 0 | 0 | 109.2 | D394 V400 | D394-P398 WeakPolarHBondContact O-CA 3.48Å; P398-V400 PolarHBondContact O-N 3.17Å; P398-V400 VanDerWaalsContact O-N 3.14Å | ||
| 399 | S | 57.3 | Low | 78.2 | Confident | 116 Ų | 116 | 77.4 Ų | 77.4 | 81% | 0.811 | 43% | 0.43 | S | S | * | . | trans | -59.1 | 117.3 | 170.3 | 42.4 | 0 | 0 | 0 | 0 | 108.8 | F397 | F397-S399 PolarHBondContact O-N 3.22Š| ||
| 400 | V | 38.3 | Very low | 77.6 | Confident | 212 Ų | 212 | 84.5 Ų | 84.5 | 100% | 1.285 | 47% | 0.47 | S | S | * | . | trans | -66 | 0 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | P398 | P398-V400 PolarHBondContact O-N 3.17Å; P398-V400 VanDerWaalsContact O-N 3.14Å |
Retrieved 400 of 400 residues in 388.1 ms
(Link to these results)