| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.4 | Very low | 29.9 | Very low | 252 Ų | 252 | 172.7 Ų | 172.7 | 100% | 1.241 | 87% | 0.874 | S | S | * | * | 0 | 126.1 | 0 | -134.1 | 178.9 | -130 | 0 | 0 | 107.6 | |||||
| 2 | L | 35.9 | Very low | 30 | Very low | 167 Ų | 167 | 168.7 Ų | 168.7 | 87% | 0.874 | 87% | 0.874 | S | S | * | * | trans | -68.4 | 149.6 | -172.9 | -79.5 | 132.9 | 0 | 0 | 0 | 114.7 | ||||
| 3 | R | 26.9 | Very low | 29.6 | Very low | 243 Ų | 243 | 164.1 Ų | 164.1 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | 167.7 | 112.1 | 131.4 | -92.5 | 170.1 | -177 | -161.7 | 1.5 | 108.6 | ||||
| 4 | A | 31.1 | Very low | 29.6 | Very low | 81 Ų | 81 | 160.6 Ų | 160.6 | 67% | 0.669 | 85% | 0.846 | S | S | * | * | 89.3 | 108.5 | 53.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 5 | F | 30.2 | Very low | 29.5 | Very low | 196 Ų | 196 | 160.3 Ų | 160.3 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | 61.8 | 128.8 | 143.6 | -77 | -91.3 | 0 | 0 | 0 | 122.6 | ||||
| 6 | S | 26.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 163.8 Ų | 163.8 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | -162.9 | 143 | 90.4 | 89.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 7 | R | 32.5 | Very low | 29.6 | Very low | 226 Ų | 226 | 161 Ų | 161 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -96.6 | 147.3 | 168.9 | -83.3 | 177.1 | 168.2 | 175.8 | -3.7 | 108.6 | ||||
| 8 | T | 28.9 | Very low | 29.6 | Very low | 142 Ų | 142 | 161.3 Ų | 161.3 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | -133.8 | 142.3 | 151.8 | 41.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | N | 30.2 | Very low | 29.6 | Very low | 167 Ų | 167 | 159.8 Ų | 159.8 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -68.4 | 142.1 | -162.1 | -79.7 | -30.1 | 0 | 0 | 0 | 116.7 | ||||
| 10 | G | 28.3 | Very low | 29.7 | Very low | 71 Ų | 71 | 162.1 Ų | 162.1 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | 88.3 | 100.7 | 112.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 11 | R | 25.9 | Very low | 29.9 | Very low | 241 Ų | 241 | 163.5 Ų | 163.5 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | -169.5 | 113.1 | 119.9 | -106.4 | 174.4 | -178.4 | -178.7 | 1 | 110.1 | V13 | R11-V13 PolarHBondContact O-N 3.1Å; R11-V13 VanDerWaalsContact O-N 3.1Å | |||
| 12 | S | 30.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 161 Ų | 161 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 103.9 | 169.1 | -46.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | V | 25.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 163.2 Ų | 163.2 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -110 | 99.8 | 157.7 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | R11 H15 | R11-V13 PolarHBondContact O-N 3.1Å; R11-V13 VanDerWaalsContact O-N 3.1Å; V13-H15 VanDerWaalsContact C-N 3.28Å; V13-H15 PolarHBondContact O-N 3.28Å | ||
| 14 | V | 29.5 | Very low | 33 | Very low | 116 Ų | 116 | 159.4 Ų | 159.4 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 94.5 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | Y16 | V14-Y16 HydrophobicContact CG1-CD2 3.76Å; V14-Y16 HydrophobicContact CG1-CE2 4.13Å; V14-Y16 PolarHBondContact O-N 2.93Å | ||
| 15 | H | 27.2 | Very low | 35.7 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -81.6 | 96.2 | 163.3 | -109.6 | 47.9 | 0 | 0 | 0 | 107.6 | V13 C17 | V13-H15 VanDerWaalsContact C-N 3.28Å; V13-H15 PolarHBondContact O-N 3.28Å; H15-C17 PolarHBondContact O-N 3.44Å | ||
| 16 | Y | 31.5 | Very low | 38.8 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -57.8 | 90.4 | 158.8 | -104.4 | -92.4 | 0 | 0 | 0 | 108.2 | V14 K18 | V14-Y16 HydrophobicContact CG1-CD2 3.76Å; V14-Y16 HydrophobicContact CG1-CE2 4.13Å; V14-Y16 PolarHBondContact O-N 2.93Å; Y16-K18 PolarHBondContact O-N 2.88Å | ||
| 17 | C | 29.4 | Very low | 42.2 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -92.5 | 98.3 | 168.5 | -120.4 | 0 | 0 | 0 | 0 | 108.7 | H15 C19 | H15-C17 PolarHBondContact O-N 3.44Å; C17-C19 PolarHBondContact O-N 2.73Å | ||
| 18 | K | 29.6 | Very low | 45.3 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 73% | 0.726 | 65% | 0.653 | S | S | * | * | trans | -20.4 | 117.3 | 170.3 | -67.6 | 169.7 | 174.7 | 173.9 | 0 | 114.4 | Y16 W20 | Y16-K18 PolarHBondContact O-N 2.88Å; K18-W20 PolarHBondContact O-N 2.67Å | ||
| 19 | C | 29.1 | Very low | 48.6 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 89% | 0.892 | 61% | 0.611 | S | S | * | * | trans | -58.6 | 84.7 | 155.1 | -79.9 | 0 | 0 | 0 | 0 | 109.9 | C17 | C17-C19 PolarHBondContact O-N 2.73Š| ||
| 20 | W | 31.6 | Very low | 51.8 | Low | 205 Ų | 205 | 117 Ų | 117 | 78% | 0.777 | 57% | 0.57 | S | S | * | * | trans | -78.5 | 134.9 | 157.1 | -76.8 | 75.7 | 0 | 0 | 0 | 107.6 | K18 R22 | K18-W20 PolarHBondContact O-N 2.67Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.4Å | ||
| 21 | H | 35.2 | Very low | 54.9 | Low | 192 Ų | 192 | 116.5 Ų | 116.5 | 89% | 0.889 | 55% | 0.547 | S | S | * | . | trans | -54.2 | 90.5 | 174.7 | -73.4 | 19.1 | 0 | 0 | 0 | 110.2 | R23 | H21-R23 PolarHBondContact O-N 3.42Å; H21-R23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | R | 42.8 | Very low | 58.2 | Low | 200 Ų | 200 | 105.8 Ų | 105.8 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | trans | -63.8 | 111.6 | 164.5 | -79.8 | -174.7 | 175.1 | -176.1 | -3 | 105.7 | W20 K24 | W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.4Å; R22-K24 PolarHBondContact O-N 3.26Å; R22-K24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | R | 51.7 | Low | 60.9 | Low | 214 Ų | 214 | 101.7 Ų | 101.7 | 81% | 0.808 | 48% | 0.475 | S | S | * | . | trans | -44.7 | 123.1 | 157.8 | -82 | -179.5 | 173.6 | 171.5 | -1.7 | 105.7 | H21 S25 | H21-R23 PolarHBondContact O-N 3.42Å; H21-R23 VanDerWaalsContact O-N 3.11Å; R23-S25 VanDerWaalsContact C-N 3.35Å; R23-S25 PolarHBondContact O-N 2.95Å | ||
| 24 | K | 65.5 | Low | 63.9 | Low | 163 Ų | 163 | 99.5 Ų | 99.5 | 71% | 0.709 | 46% | 0.462 | S | S | * | . | trans | -63 | 99.5 | -179.2 | -74.3 | -179 | 176.4 | -179.4 | 0 | 106.8 | R22 V26 | R22-K24 PolarHBondContact O-N 3.26Å; R22-K24 VanDerWaalsContact O-N 3.1Å; K24-V26 WeakPolarHBondContact O-CG2 3.29Å; K24-V26 PolarHBondContact O-N 3.26Å | ||
| 25 | S | 87.1 | Confident | 66.6 | Low | 18 Ų | 18 | 96.8 Ų | 96.8 | 13% | 0.126 | 44% | 0.444 | C | S | . | . | trans | -56 | 131.6 | 173.6 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | R23 | R23-S25 VanDerWaalsContact C-N 3.35Å; R23-S25 PolarHBondContact O-N 2.95Å | ||
| 26 | V | 96.3 | Very high | 69.6 | Low | 5 Ų | 5 | 92.9 Ų | 92.9 | 3% | 0.03 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.4 | -171.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | K24 K57 L59 E86 A87 S88 L89 | K24-V26 WeakPolarHBondContact O-CG2 3.29Å; K24-V26 PolarHBondContact O-N 3.26Å; V26-K57 WeakPolarHBondContact CA-O 3.49Å; V26-K57 HydrophobicContact CG1-CB 4.28Å; V26-K57 HydrophobicContact CG1-CD 4.28Å; V26-K57 HydrophobicContact CG1-CG 4.17Å; V26-K57 HydrophobicContact CG2-CB 4.06Å; V26-K57 HydrophobicContact CG2-CD 4.09Å; V26-K57 HydrophobicContact CG2-CG 4.44Å; V26-L59 HydrophobicContact CG1-CD1 3.76Å; V26-L59 HydrophobicContact CG1-CG 3.71Å; V26-E86 HydrophobicContact CG2-CG 3.97Å; V26-A87 HydrophobicContact CG1-CB 4.4Å; V26-A87 CarbonylContact O-C 3.53Å; V26-A87 VanDerWaalsContact O-CA 3.28Å; V26-A87 WeakPolarHBondContact O-CA 3.46Å; V26-S88 PolarHBondContact O-N 2.85Å; V26-S88 PolarHBondContact O-OG 3.16Å; V26-L89 PolarHBondContact O-N 3.18Å |
| 27 | L | 97.7 | Very high | 72.4 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.5 | 172.8 | -175.1 | 145.6 | 0 | 0 | 0 | 108.9 | I29 L43 L51 K57 V58 L59 L89 V91 I424 L428 | L27-I29 HydrophobicContact CD2-CG1 3.79Å; L27-L43 HydrophobicContact CD1-CD1 4.11Å; L27-L43 HydrophobicContact CD2-CD1 4.15Å; L27-L51 HydrophobicContact CD1-CD1 4.03Å; L27-K57 PolarHBondContact N-O 3.37Å; L27-V58 HydrophobicContact CD2-CG1 3.89Å; L27-V58 CarbonylContact O-C 3.59Å; L27-V58 WeakPolarHBondContact O-CA 3.35Å; L27-L59 PolarHBondContact O-N 2.85Å; L27-L89 CarbonylContact C-O 3.5Å; L27-L89 WeakPolarHBondContact CA-O 3.36Å; L27-L89 HydrophobicContact CD1-CD2 3.95Å; L27-V91 HydrophobicContact CD2-CG2 4.01Å; L27-V91 HydrophobicContact CG-CG2 4.47Å; L27-I424 HydrophobicContact CD1-CG2 3.54Å; L27-L428 HydrophobicContact CB-CD1 3.88Å; L27-L428 HydrophobicContact CB-CD2 4.38Å |
| 28 | A | 98.1 | Very high | 75.5 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | L59 I84 A87 L89 I90 V91 | A28-L59 CarbonylContact C-O 3.52Å; A28-L59 VanDerWaalsContact CA-O 3.3Å; A28-L59 WeakPolarHBondContact CA-O 3.28Å; A28-L59 HydrophobicContact CB-CB 4.14Å; A28-I84 HydrophobicContact CB-CB 3.79Å; A28-I84 HydrophobicContact CB-CD1 3.95Å; A28-I84 HydrophobicContact CB-CG1 4.41Å; A28-I84 HydrophobicContact CB-CG2 3.89Å; A28-A87 HydrophobicContact CB-CB 3.47Å; A28-A87 VanDerWaalsContact CB-CB 3.47Å; A28-L89 PolarHBondContact N-O 2.88Å; A28-I90 HydrophobicContact CB-CG1 4.25Å; A28-I90 WeakPolarHBondContact O-CA 3.47Å; A28-V91 WeakPolarHBondContact O-CG2 3.45Å; A28-V91 PolarHBondContact O-N 2.87Å |
| 29 | I | 98.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 110.1 | 164.3 | -56.6 | 177.7 | 0 | 0 | 0 | 107.4 | L27 A41 P42 L43 V48 V58 L59 V60 Q61 Y73 V91 | L27-I29 HydrophobicContact CD2-CG1 3.79Å; I29-A41 HydrophobicContact CG2-CB 4.42Å; I29-P42 HydrophobicContact CG2-CG 4.1Å; I29-L43 HydrophobicContact CD1-CB 3.93Å; I29-V48 HydrophobicContact CD1-CG2 3.71Å; I29-V58 HydrophobicContact CD1-CG1 4.44Å; I29-L59 PolarHBondContact N-O 3.01Å; I29-V60 HydrophobicContact CB-CG1 4.48Å; I29-V60 HydrophobicContact CB-CG2 4.47Å; I29-V60 HydrophobicContact CD1-CG2 4.23Å; I29-Q61 WeakPolarHBondContact O-CB 3.49Å; I29-Q61 PolarHBondContact O-N 3.23Å; I29-Y73 HydrophobicContact CD1-CD1 4.37Å; I29-Y73 HydrophobicContact CD1-CE1 3.9Å; I29-V91 HydrophobicContact CG1-CG2 4.09Å |
| 30 | R | 96.1 | Very high | 81.7 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | trans | -72.1 | 155.3 | 179.7 | 159 | 175.1 | -88 | -93.9 | 8.2 | 111.8 | D33 R66 I84 I90 V91 P96 K100 | R30-D33 IonicContact NH1-OD2 3.78Å; R30-R66 PolarHBondContact O-NH2 2.99Å; R30-R66 VanDerWaalsContact O-NH2 3.08Å; R30-I84 HydrophobicContact CB-CD1 3.99Å; R30-I90 HydrophobicContact CB-CG2 4.08Å; R30-V91 PolarHBondContact N-O 3.32Å; R30-V91 VanDerWaalsContact N-O 3.07Å; R30-P96 VanDerWaalsContact CZ-CB 3.48Å; R30-K100 PolarHBondContact NH2-O 2.64Å | ||
| 31 | R | 94.6 | Very high | 84.8 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | trans | -69 | 152.6 | 173.3 | 75.2 | 177.9 | 60.9 | -139.8 | -16.3 | 113 | D33 Q61 P62 E82 | R31-D33 HydrophobicContact CG-CB 4.46Å; R31-Q61 HydrophobicContact CB-CB 4.28Å; R31-Q61 HydrophobicContact CB-CG 4.38Å; R31-P62 PolarHBondContact NH1-O 3.44Å; R31-P62 PolarHBondContact NH2-O 2.98Å; R31-E82 IonicContact CZ-OE1 3.74Å; R31-E82 VanDerWaalsContact CZ-OE1 3.31Å; R31-E82 IonicContact CZ-OE2 2.8Å; R31-E82 IonicContact NE-OE1 3.46Å; R31-E82 IonicContact NH2-OE1 3.62Å; R31-E82 PolarHBondContact NH2-OE1 3.33Å; R31-E82 IonicContact NH2-OE2 2.76Å; R31-E82 PolarHBondContact NH2-OE2 2.9Å | ||
| 32 | E | 93.8 | Very high | 87.7 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | trans | -88.1 | 106.7 | 177.4 | -52.6 | 71.2 | -154.8 | 0 | 0 | 110 | E38 R40 S63 R66 | E32-E38 HydrophobicContact CB-CG 4.48Å; E32-E38 WeakPolarHBondContact CB-O 3.19Å; E32-R40 VanDerWaalsContact CG-O 3.23Å; E32-R40 WeakPolarHBondContact CG-O 3.49Å; E32-S63 VanDerWaalsContact OE2-CB 3.25Å; E32-S63 WeakPolarHBondContact OE2-CB 3.09Å; E32-S63 PolarHBondContact OE2-OG 3.43Å; E32-R66 IonicContact OE1-CZ 3.39Å; E32-R66 VanDerWaalsContact OE1-CZ 3.25Å; E32-R66 IonicContact OE1-NE 2.85Å; E32-R66 PolarHBondContact OE1-NE 3.04Å; E32-R66 IonicContact OE1-NH2 2.98Å; E32-R66 PolarHBondContact OE1-NH2 3.28Å; E32-R66 WeakPolarHBondContact OE2-CB 3.35Å; E32-R66 IonicContact OE2-CZ 3.03Å; E32-R66 IonicContact OE2-NE 2.76Å; E32-R66 PolarHBondContact OE2-NE 2.76Å; E32-R66 IonicContact OE2-NH2 3.87Å; E32-R66 PolarHBondContact OE2-NH2 3.14Å | ||
| 33 | D | 89.4 | Confident | 90.3 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | trans | -128.3 | 7.8 | -175.7 | 55.6 | -1.2 | 0 | 0 | 0 | 115.2 | R30 R31 P97 K100 | R30-D33 IonicContact NH1-OD2 3.78Å; R31-D33 HydrophobicContact CG-CB 4.46Å; D33-P97 WeakPolarHBondContact OD1-CD 3.4Å; D33-P97 WeakPolarHBondContact OD2-CG 3.4Å; D33-K100 IonicContact OD2-NZ 2.67Å; D33-K100 PolarHBondContact OD2-NZ 3.44Å | ||
| 34 | V | 86.6 | Confident | 92.5 | Very high | 62 Ų | 62 | 31 Ų | 31 | 38% | 0.376 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -72.4 | -46.5 | -177.7 | 128.4 | 0 | 0 | 0 | 0 | 114.4 | E38 K94 R95 | V34-E38 HydrophobicContact CG1-CB 4.41Å; V34-K94 HydrophobicContact CB-CB 4.26Å; V34-K94 HydrophobicContact CG1-CB 4.4Å; V34-K94 HydrophobicContact CG1-CG 4.38Å; V34-K94 HydrophobicContact CG2-CB 4.06Å; V34-R95 HydrophobicContact CG2-CG 4.34Å |
| 35 | N | 87.3 | Confident | 94.1 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 32% | 0.321 | 13% | 0.129 | S | C | . | . | trans | -158.1 | 178.6 | 177.6 | 66.3 | 43 | 0 | 0 | 0 | 110.4 | W37 E38 R65 | N35-W37 PolarHBondContact OD1-N 3.21Å; N35-E38 PolarHBondContact OD1-N 3.46Å; N35-R65 PolarHBondContact O-NH1 2.74Å | ||
| 36 | A | 89.4 | Confident | 94.6 | Very high | 73 Ų | 73 | 27.1 Ų | 27.1 | 60% | 0.603 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -69.6 | -30.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 37 | W | 91.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 27 Ų | 27 | 20% | 0.201 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -84.3 | -24.7 | -175.8 | -69.5 | 109.6 | 0 | 0 | 0 | 113.4 | N35 R39 H187 I373 D374 | N35-W37 PolarHBondContact OD1-N 3.21Å; W37-R39 PolarHBondContact O-N 3.03Å; W37-H187 AromaticContact CH2-CD2 3.86Å; W37-H187 AromaticContact CH2-CG 3.98Å; W37-H187 HydrophobicContact CZ3-CB 3.9Å; W37-H187 AromaticContact CZ3-CG 3.83Å; W37-I373 HydrophobicContact CB-CD1 3.76Å; W37-I373 HydrophobicContact CD2-CB 3.86Å; W37-I373 HydrophobicContact CD2-CD1 3.78Å; W37-I373 HydrophobicContact CD2-CG1 4.43Å; W37-I373 HydrophobicContact CD2-CG2 3.69Å; W37-I373 HydrophobicContact CE3-CB 4.38Å; W37-I373 HydrophobicContact CE3-CD1 4.04Å; W37-I373 HydrophobicContact CE3-CG2 3.74Å; W37-I373 HydrophobicContact CG-CB 4.19Å; W37-I373 HydrophobicContact CG-CD1 3.65Å; W37-I373 HydrophobicContact CG-CG1 4.47Å; W37-I373 HydrophobicContact CH2-CG2 3.48Å; W37-I373 VanDerWaalsContact CH2-CG2 3.48Å; W37-I373 HydrophobicContact CZ2-CB 4.02Å; W37-I373 HydrophobicContact CZ2-CG2 3.42Å; W37-I373 VanDerWaalsContact CZ2-CG2 3.42Å; W37-I373 HydrophobicContact CZ3-CG2 3.64Å; W37-D374 WeakPolarHBondContact CZ2-OD1 3.49Å; W37-D374 PolarHBondContact NE1-OD1 2.95Å; W37-D374 PolarHBondContact NE1-OD2 2.89Å |
| 38 | E | 93 | Very high | 94.7 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | trans | -72.7 | 101.1 | 177.3 | -173.4 | 58.5 | -90.5 | 0 | 0 | 111 | E32 V34 N35 R40 K94 | E32-E38 HydrophobicContact CB-CG 4.48Å; E32-E38 WeakPolarHBondContact CB-O 3.19Å; V34-E38 HydrophobicContact CG1-CB 4.41Å; N35-E38 PolarHBondContact OD1-N 3.46Å; E38-R40 VanDerWaalsContact OE1-CB 3.23Å; E38-R40 WeakPolarHBondContact OE1-CB 3.23Å; E38-R40 WeakPolarHBondContact OE1-CG 3.35Å; E38-R40 IonicContact OE1-CZ 2.79Å; E38-R40 PolarHBondContact OE1-N 2.79Å; E38-R40 VanDerWaalsContact OE1-N 3.1Å; E38-R40 IonicContact OE1-NE 3.77Å; E38-R40 PolarHBondContact OE1-NE 3.06Å; E38-R40 IonicContact OE1-NH2 3.36Å; E38-R40 IonicContact OE2-CZ 2.62Å; E38-R40 IonicContact OE2-NE 3.4Å; E38-R40 PolarHBondContact OE2-NE 2.76Å; E38-R40 IonicContact OE2-NH2 3.54Å; E38-R40 PolarHBondContact OE2-NH2 2.67Å; E38-K94 HydrophobicContact CG-CG 4.27Å; E38-K94 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 39 | R | 94.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 28% | 0.279 | 16% | 0.161 | S | C | . | . | trans | -125.5 | 4.8 | -179 | -59 | -178.7 | -67.7 | 161 | -0.3 | 112.4 | W37 R65 A67 P409 | W37-R39 PolarHBondContact O-N 3.03Å; R39-R65 VanDerWaalsContact CB-O 3.31Å; R39-R65 WeakPolarHBondContact CB-O 3.48Å; R39-R65 WeakPolarHBondContact CD-O 3.27Å; R39-R65 WeakPolarHBondContact CG-O 3.17Å; R39-A67 HydrophobicContact CB-CB 4.19Å; R39-A67 PolarHBondContact O-N 2.96Å; R39-P409 HydrophobicContact CB-CB 4.11Å; R39-P409 HydrophobicContact CB-CG 4.34Å | ||
| 40 | R | 95.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | trans | -81.5 | 146.6 | -179.7 | -60.5 | 169.6 | -68.9 | -175.9 | -10.1 | 110.1 | E32 E38 V93 P409 A412 T413 | E32-R40 VanDerWaalsContact CG-O 3.23Å; E32-R40 WeakPolarHBondContact CG-O 3.49Å; E38-R40 VanDerWaalsContact OE1-CB 3.23Å; E38-R40 WeakPolarHBondContact OE1-CB 3.23Å; E38-R40 WeakPolarHBondContact OE1-CG 3.35Å; E38-R40 IonicContact OE1-CZ 2.79Å; E38-R40 PolarHBondContact OE1-N 2.79Å; E38-R40 VanDerWaalsContact OE1-N 3.1Å; E38-R40 IonicContact OE1-NE 3.77Å; E38-R40 PolarHBondContact OE1-NE 3.06Å; E38-R40 IonicContact OE1-NH2 3.36Å; E38-R40 IonicContact OE2-CZ 2.62Å; E38-R40 IonicContact OE2-NE 3.4Å; E38-R40 PolarHBondContact OE2-NE 2.76Å; E38-R40 IonicContact OE2-NH2 3.54Å; E38-R40 PolarHBondContact OE2-NH2 2.67Å; R40-V93 HydrophobicContact CB-CG2 4.06Å; R40-P409 HydrophobicContact CG-CB 3.73Å; R40-A412 HydrophobicContact CG-CB 4.23Å; R40-T413 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 41 | A | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | trans | -108 | 157.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I29 L43 Y73 V93 T413 | I29-A41 HydrophobicContact CG2-CB 4.42Å; A41-L43 VanDerWaalsContact C-N 3.3Å; A41-Y73 WeakPolarHBondContact CB-OH 3.44Å; A41-V93 VanDerWaalsContact C-CG2 3.48Å; A41-T413 HydrophobicContact CB-CG2 3.92Å; A41-T413 PolarHBondContact N-OG1 2.78Å; A41-T413 VanDerWaalsContact O-CG2 3.26Å; A41-T413 WeakPolarHBondContact O-CG2 3.27Å; A41-T413 PolarHBondContact O-OG1 3.46Å | ||
| 42 | P | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71.6 | -24.5 | 175.3 | 28.6 | -36.2 | 0 | 0 | 0 | 112.9 | I29 V91 V93 F416 G417 L420 | I29-P42 HydrophobicContact CG2-CG 4.1Å; P42-V91 HydrophobicContact CB-CB 4.24Å; P42-V91 HydrophobicContact CB-CG2 4.25Å; P42-V91 HydrophobicContact CG-CB 3.89Å; P42-V91 HydrophobicContact CG-CG2 3.54Å; P42-V93 HydrophobicContact CB-CG2 4.49Å; P42-F416 HydrophobicContact CB-CE1 4.27Å; P42-F416 WeakPolarHBondContact O-CD1 3.18Å; P42-G417 WeakPolarHBondContact O-CA 3.47Å; P42-L420 HydrophobicContact CB-CD2 4.39Å |
| 43 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -137.5 | 122.8 | -177.5 | -63.9 | 176.5 | 0 | 0 | 0 | 110.4 | L27 I29 A41 H47 L51 Y73 V91 L420 I424 | L27-L43 HydrophobicContact CD1-CD1 4.11Å; L27-L43 HydrophobicContact CD2-CD1 4.15Å; I29-L43 HydrophobicContact CD1-CB 3.93Å; A41-L43 VanDerWaalsContact C-N 3.3Å; L43-H47 HydrophobicContact CB-CB 4.17Å; L43-H47 HydrophobicContact CD2-CB 4.03Å; L43-L51 HydrophobicContact CD1-CD1 4.05Å; L43-Y73 WeakPolarHBondContact O-CE1 3.32Å; L43-Y73 PolarHBondContact O-OH 3.1Å; L43-V91 HydrophobicContact CD1-CG2 4.44Å; L43-L420 HydrophobicContact CD2-CD2 4.47Å; L43-I424 HydrophobicContact CD1-CD1 4.27Å; L43-I424 HydrophobicContact CD1-CG1 4.47Å; L43-I424 HydrophobicContact CD2-CD1 4.3Å; L43-I424 HydrophobicContact CD2-CG1 4.17Å |
| 44 | A | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -69.6 | 163.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K46 H47 V48 I68 T413 E414 | A44-K46 HydrophobicContact CB-CG 4.26Å; A44-K46 PolarHBondContact O-N 2.87Å; A44-K46 VanDerWaalsContact O-N 3.12Å; A44-H47 PolarHBondContact N-ND1 3.1Å; A44-H47 WeakPolarHBondContact O-CB 3.33Å; A44-H47 PolarHBondContact O-N 3.45Å; A44-H47 PolarHBondContact O-ND1 2.94Å; A44-V48 PolarHBondContact O-N 3.44Å; A44-I68 HydrophobicContact CB-CD1 4.24Å; A44-T413 HydrophobicContact CB-CG2 4Å; A44-E414 HydrophobicContact CB-CB 4.46Å; A44-E414 HydrophobicContact CB-CG 3.72Å | ||
| 45 | P | 98.4 | Very high | 95.5 | Very high | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.143 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.8 | -31.7 | 178.1 | -30 | 36.4 | 0 | 0 | 0 | 115.4 | H47 V48 K49 I68 D72 Y73 A76 | P45-H47 VanDerWaalsContact C-N 3.33Å; P45-H47 PolarHBondContact O-N 3.23Å; P45-V48 PolarHBondContact O-N 3Å; P45-K49 WeakPolarHBondContact O-CB 3.32Å; P45-K49 PolarHBondContact O-N 3.35Å; P45-I68 HydrophobicContact CG-CG2 3.59Å; P45-D72 HydrophobicContact CG-CB 4.01Å; P45-Y73 HydrophobicContact CG-CD1 4.33Å; P45-Y73 HydrophobicContact CG-CD2 4.42Å; P45-Y73 HydrophobicContact CG-CE1 4.27Å; P45-Y73 HydrophobicContact CG-CE2 4.35Å; P45-Y73 HydrophobicContact CG-CG 4.41Å; P45-A76 HydrophobicContact CB-CB 4.01Å; P45-A76 WeakPolarHBondContact O-CB 3.17Å |
| 46 | K | 98 | Very high | 95.9 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 175.5 | 63.7 | 179 | 179.5 | 173.3 | 0 | 112.2 | A44 K49 E50 D418 | A44-K46 HydrophobicContact CB-CG 4.26Å; A44-K46 PolarHBondContact O-N 2.87Å; A44-K46 VanDerWaalsContact O-N 3.12Å; K46-K49 WeakPolarHBondContact O-CB 3.29Å; K46-K49 PolarHBondContact O-N 3.17Å; K46-E50 PolarHBondContact O-N 3.23Å; K46-E50 VanDerWaalsContact O-N 3.1Å; K46-D418 WeakPolarHBondContact CE-OD1 3.43Å; K46-D418 IonicContact NZ-OD1 3.11Å; K46-D418 PolarHBondContact NZ-OD1 2.73Å; K46-D418 IonicContact NZ-OD2 3.22Å; K46-D418 PolarHBondContact NZ-OD2 3.44Å |
| 47 | H | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 177.7 | -47.7 | 109.5 | 0 | 0 | 0 | 111.6 | L43 A44 P45 K49 E50 L51 G417 D418 F421 | L43-H47 HydrophobicContact CB-CB 4.17Å; L43-H47 HydrophobicContact CD2-CB 4.03Å; A44-H47 PolarHBondContact N-ND1 3.1Å; A44-H47 WeakPolarHBondContact O-CB 3.33Å; A44-H47 PolarHBondContact O-N 3.45Å; A44-H47 PolarHBondContact O-ND1 2.94Å; P45-H47 VanDerWaalsContact C-N 3.33Å; P45-H47 PolarHBondContact O-N 3.23Å; H47-K49 VanDerWaalsContact C-N 3.29Å; H47-K49 PolarHBondContact O-N 3.23Å; H47-E50 PolarHBondContact O-N 3.13Å; H47-L51 WeakPolarHBondContact O-CG 3.1Å; H47-L51 PolarHBondContact O-N 3.44Å; H47-G417 VanDerWaalsContact CE1-C 3.46Å; H47-G417 VanDerWaalsContact CE1-CA 3.42Å; H47-G417 WeakPolarHBondContact CE1-CA 3.35Å; H47-D418 PolarHBondContact NE2-N 2.92Å; H47-D418 VanDerWaalsContact NE2-N 3.17Å; H47-D418 IonicContact NE2-OD1 2.78Å; H47-D418 PolarHBondContact NE2-OD1 3.14Å; H47-F421 HydrophobicContact CB-CD2 3.7Å; H47-F421 HydrophobicContact CB-CE2 4.01Å; H47-F421 AromaticContact CD2-CD2 3.94Å |
| 48 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | I29 A44 P45 E50 L51 T52 V58 Y73 A76 | I29-V48 HydrophobicContact CD1-CG2 3.71Å; A44-V48 PolarHBondContact O-N 3.44Å; P45-V48 PolarHBondContact O-N 3Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.78Å; V48-L51 PolarHBondContact O-N 3.09Å; V48-T52 HydrophobicContact CG1-CG2 4.29Å; V48-T52 WeakPolarHBondContact O-CG2 3.24Å; V48-T52 PolarHBondContact O-N 2.73Å; V48-T52 PolarHBondContact O-OG1 3.27Å; V48-V58 HydrophobicContact CG1-CB 4.07Å; V48-V58 HydrophobicContact CG1-CG1 3.9Å; V48-V58 HydrophobicContact CG1-CG2 4.36Å; V48-V58 HydrophobicContact CG2-CG1 4.11Å; V48-Y73 HydrophobicContact CB-CD1 4.49Å; V48-Y73 HydrophobicContact CG2-CD1 3.86Å; V48-Y73 HydrophobicContact CG2-CE1 4.02Å; V48-A76 HydrophobicContact CB-CB 4.14Å; V48-A76 HydrophobicContact CG1-CB 4.08Å |
| 49 | K | 98.3 | Very high | 96.9 | Very high | 109 Ų | 109 | 37.4 Ų | 37.4 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.5 | -170.4 | 179.8 | 179.7 | -177.7 | 0 | 112.1 | P45 K46 H47 T52 Q53 A76 | P45-K49 WeakPolarHBondContact O-CB 3.32Å; P45-K49 PolarHBondContact O-N 3.35Å; K46-K49 WeakPolarHBondContact O-CB 3.29Å; K46-K49 PolarHBondContact O-N 3.17Å; H47-K49 VanDerWaalsContact C-N 3.29Å; H47-K49 PolarHBondContact O-N 3.23Å; K49-T52 PolarHBondContact O-OG1 3.47Å; K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 WeakPolarHBondContact O-CG 3.44Å; K49-Q53 PolarHBondContact O-N 3.1Å; K49-A76 VanDerWaalsContact CA-O 3.26Å; K49-A76 WeakPolarHBondContact CA-O 3.45Å; K49-A76 HydrophobicContact CB-CB 3.95Å |
| 50 | E | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 41% | 0.407 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 177.2 | -68.7 | 178.3 | -144.6 | 0 | 0 | 111.4 | K46 H47 V48 T52 Q53 M54 F421 | K46-E50 PolarHBondContact O-N 3.23Å; K46-E50 VanDerWaalsContact O-N 3.1Å; H47-E50 PolarHBondContact O-N 3.13Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.78Å; E50-T52 PolarHBondContact O-N 3.41Å; E50-Q53 PolarHBondContact O-N 3.22Å; E50-M54 VanDerWaalsContact O-CG 3.28Å; E50-M54 WeakPolarHBondContact O-CG 3.32Å; E50-M54 PolarHBondContact O-N 2.84Å; E50-F421 HydrophobicContact CB-CE1 4.33Å; E50-F421 HydrophobicContact CB-CE2 4.01Å; E50-F421 HydrophobicContact CB-CZ 3.47Å; E50-F421 VanDerWaalsContact CB-CZ 3.47Å; E50-F421 HydrophobicContact CG-CZ 4.38Å; E50-F421 WeakPolarHBondContact OE2-CE1 3.25Å; E50-F421 VanDerWaalsContact OE2-CZ 3.29Å; E50-F421 WeakPolarHBondContact OE2-CZ 3.37Å |
| 51 | L | 96.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.1 | -71.5 | 168.6 | 0 | 0 | 0 | 112.8 | L27 L43 H47 V48 M54 G55 Y56 V58 F421 I424 | L27-L51 HydrophobicContact CD1-CD1 4.03Å; L43-L51 HydrophobicContact CD1-CD1 4.05Å; H47-L51 WeakPolarHBondContact O-CG 3.1Å; H47-L51 PolarHBondContact O-N 3.44Å; V48-L51 PolarHBondContact O-N 3.09Å; L51-M54 WeakPolarHBondContact O-CB 3.45Å; L51-M54 PolarHBondContact O-N 3.2Å; L51-G55 PolarHBondContact O-N 3.41Å; L51-Y56 HydrophobicContact CD2-CD2 4.17Å; L51-Y56 WeakPolarHBondContact O-CB 3.46Å; L51-Y56 PolarHBondContact O-N 2.89Å; L51-V58 HydrophobicContact CB-CG2 3.77Å; L51-V58 HydrophobicContact CD1-CG2 4.02Å; L51-F421 HydrophobicContact CD2-CE2 4.22Å; L51-F421 HydrophobicContact CG-CE2 3.96Å; L51-I424 HydrophobicContact CD1-CG2 4.17Å; L51-I424 HydrophobicContact CD2-CG2 3.83Å |
| 52 | T | 95.9 | Very high | 97.2 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -34.7 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | V48 K49 E50 M54 G55 V58 A76 G77 | V48-T52 HydrophobicContact CG1-CG2 4.29Å; V48-T52 WeakPolarHBondContact O-CG2 3.24Å; V48-T52 PolarHBondContact O-N 2.73Å; V48-T52 PolarHBondContact O-OG1 3.27Å; K49-T52 PolarHBondContact O-OG1 3.47Å; E50-T52 PolarHBondContact O-N 3.41Å; T52-M54 VanDerWaalsContact C-N 3.32Å; T52-G55 WeakPolarHBondContact O-CA 2.92Å; T52-G55 PolarHBondContact O-N 2.87Å; T52-V58 HydrophobicContact CG2-CB 4.4Å; T52-V58 HydrophobicContact CG2-CG2 4.09Å; T52-A76 PolarHBondContact OG1-O 2.64Å; T52-G77 WeakPolarHBondContact CG2-O 3.43Å |
| 53 | Q | 95.9 | Very high | 97.1 | Very high | 142 Ų | 142 | 36.8 Ų | 36.8 | 66% | 0.664 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.8 | -32.7 | 171.4 | -75.2 | 176 | -15.5 | 0 | 0 | 112.9 | K49 E50 G55 | K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 WeakPolarHBondContact O-CG 3.44Å; K49-Q53 PolarHBondContact O-N 3.1Å; E50-Q53 PolarHBondContact O-N 3.22Å; Q53-G55 PolarHBondContact O-N 3.1Å |
| 54 | M | 94.3 | Very high | 96.9 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7.6 | 171 | -66.1 | 168.1 | 78.5 | 0 | 0 | 113 | E50 L51 T52 Y56 E425 | E50-M54 VanDerWaalsContact O-CG 3.28Å; E50-M54 WeakPolarHBondContact O-CG 3.32Å; E50-M54 PolarHBondContact O-N 2.84Å; L51-M54 WeakPolarHBondContact O-CB 3.45Å; L51-M54 PolarHBondContact O-N 3.2Å; T52-M54 VanDerWaalsContact C-N 3.32Å; M54-Y56 HydrophobicContact CB-CD2 3.79Å; M54-Y56 HydrophobicContact CB-CE2 3.91Å; M54-Y56 HydrophobicContact CE-CE2 4.1Å; M54-E425 HydrophobicContact CE-CG 4.35Å; M54-E425 WeakPolarHBondContact CE-OE1 3.42Å |
| 55 | G | 94.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 55% | 0.546 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 7.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | L51 T52 Q53 | L51-G55 PolarHBondContact O-N 3.41Å; T52-G55 WeakPolarHBondContact O-CA 2.92Å; T52-G55 PolarHBondContact O-N 2.87Å; Q53-G55 PolarHBondContact O-N 3.1Å |
| 56 | Y | 95.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | trans | -80.6 | 145.4 | 175.9 | -63.6 | -69.5 | 0 | 0 | 0 | 111.9 | L51 M54 E425 L428 L429 | L51-Y56 HydrophobicContact CD2-CD2 4.17Å; L51-Y56 WeakPolarHBondContact O-CB 3.46Å; L51-Y56 PolarHBondContact O-N 2.89Å; M54-Y56 HydrophobicContact CB-CD2 3.79Å; M54-Y56 HydrophobicContact CB-CE2 3.91Å; M54-Y56 HydrophobicContact CE-CE2 4.1Å; Y56-E425 HydrophobicContact CE2-CG 4.28Å; Y56-E425 WeakPolarHBondContact OH-CG 3.41Å; Y56-E425 PolarHBondContact OH-OE1 3.1Å; Y56-E425 VanDerWaalsContact OH-OE1 3.1Å; Y56-L428 HydrophobicContact CD1-CD2 3.38Å; Y56-L428 HydrophobicContact CD1-CG 4.23Å; Y56-L428 HydrophobicContact CD2-CD2 4.06Å; Y56-L428 HydrophobicContact CE1-CD2 3.78Å; Y56-L428 HydrophobicContact CE1-CG 4.35Å; Y56-L428 HydrophobicContact CE2-CD2 4.41Å; Y56-L428 HydrophobicContact CG-CD2 3.53Å; Y56-L429 HydrophobicContact CE1-CD2 4.09Å | ||
| 57 | K | 97.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.3 | 172 | -176.2 | 176.8 | 171.3 | -176.5 | 0 | 108.6 | V26 L27 I79 E86 | V26-K57 WeakPolarHBondContact CA-O 3.49Å; V26-K57 HydrophobicContact CG1-CB 4.28Å; V26-K57 HydrophobicContact CG1-CD 4.28Å; V26-K57 HydrophobicContact CG1-CG 4.17Å; V26-K57 HydrophobicContact CG2-CB 4.06Å; V26-K57 HydrophobicContact CG2-CD 4.09Å; V26-K57 HydrophobicContact CG2-CG 4.44Å; L27-K57 PolarHBondContact N-O 3.37Å; K57-I79 HydrophobicContact CD-CD1 4.26Å; K57-I79 HydrophobicContact CG-CD1 3.9Å; K57-E86 IonicContact NZ-OE1 3.38Å; K57-E86 PolarHBondContact NZ-OE1 3.36Å; K57-E86 IonicContact NZ-OE2 3.21Å; K57-E86 PolarHBondContact NZ-OE2 3.03Å |
| 58 | V | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111.3 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | L27 I29 V48 L51 T52 V60 G78 I79 | L27-V58 HydrophobicContact CD2-CG1 3.89Å; L27-V58 CarbonylContact O-C 3.59Å; L27-V58 WeakPolarHBondContact O-CA 3.35Å; I29-V58 HydrophobicContact CD1-CG1 4.44Å; V48-V58 HydrophobicContact CG1-CB 4.07Å; V48-V58 HydrophobicContact CG1-CG1 3.9Å; V48-V58 HydrophobicContact CG1-CG2 4.36Å; V48-V58 HydrophobicContact CG2-CG1 4.11Å; L51-V58 HydrophobicContact CB-CG2 3.77Å; L51-V58 HydrophobicContact CD1-CG2 4.02Å; T52-V58 HydrophobicContact CG2-CB 4.4Å; T52-V58 HydrophobicContact CG2-CG2 4.09Å; V58-V60 HydrophobicContact CG1-CG2 4.3Å; V58-G78 WeakPolarHBondContact O-CA 3.14Å; V58-I79 PolarHBondContact O-N 3.09Å |
| 59 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.9 | 169.9 | -59.2 | -178.6 | 0 | 0 | 0 | 109.3 | V26 L27 A28 I29 I79 Q81 I84 E86 | V26-L59 HydrophobicContact CG1-CD1 3.76Å; V26-L59 HydrophobicContact CG1-CG 3.71Å; L27-L59 PolarHBondContact O-N 2.85Å; A28-L59 CarbonylContact C-O 3.52Å; A28-L59 VanDerWaalsContact CA-O 3.3Å; A28-L59 WeakPolarHBondContact CA-O 3.28Å; A28-L59 HydrophobicContact CB-CB 4.14Å; I29-L59 PolarHBondContact N-O 3.01Å; L59-I79 CarbonylContact C-O 3.49Å; L59-I79 WeakPolarHBondContact CA-O 3.22Å; L59-I79 HydrophobicContact CD2-CB 4.04Å; L59-I79 HydrophobicContact CD2-CG2 4.18Å; L59-Q81 HydrophobicContact CD2-CB 4.14Å; L59-I84 HydrophobicContact CB-CG2 4.3Å; L59-I84 HydrophobicContact CD1-CG2 4.4Å; L59-E86 HydrophobicContact CD1-CB 4.31Å |
| 60 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.7 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | I29 V58 Y73 I79 I80 Q81 | I29-V60 HydrophobicContact CB-CG1 4.48Å; I29-V60 HydrophobicContact CB-CG2 4.47Å; I29-V60 HydrophobicContact CD1-CG2 4.23Å; V58-V60 HydrophobicContact CG1-CG2 4.3Å; V60-Y73 HydrophobicContact CG1-CD1 4.44Å; V60-Y73 HydrophobicContact CG1-CG 4.25Å; V60-Y73 HydrophobicContact CG2-CD1 3.97Å; V60-Y73 HydrophobicContact CG2-CG 4.23Å; V60-I79 PolarHBondContact N-O 3.02Å; V60-I80 HydrophobicContact CB-CD1 3.89Å; V60-I80 HydrophobicContact CG1-CD1 4.18Å; V60-I80 WeakPolarHBondContact O-CA 3.48Å; V60-Q81 PolarHBondContact O-N 3.37Å; V60-Q81 VanDerWaalsContact O-N 3.07Å |
| 61 | Q | 97.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | trans | -70.9 | 133.1 | 179.7 | -154.2 | -178.4 | 18.2 | 0 | 0 | 109.8 | I29 R31 S63 R66 Q81 E82 I84 | I29-Q61 WeakPolarHBondContact O-CB 3.49Å; I29-Q61 PolarHBondContact O-N 3.23Å; R31-Q61 HydrophobicContact CB-CB 4.28Å; R31-Q61 HydrophobicContact CB-CG 4.38Å; Q61-S63 PolarHBondContact O-N 3.3Å; Q61-R66 PolarHBondContact O-NH1 2.78Å; Q61-R66 PolarHBondContact O-NH2 3.07Å; Q61-Q81 WeakPolarHBondContact CA-O 3.25Å; Q61-E82 PolarHBondContact NE2-O 3.28Å; Q61-E82 PolarHBondContact NE2-OE1 3.25Å; Q61-I84 HydrophobicContact CB-CG2 4.41Å; Q61-I84 HydrophobicContact CG-CG2 4.46Å | ||
| 62 | P | 96.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | trans | -54.7 | 137.7 | 179.3 | -23.4 | 28.9 | 0 | 0 | 0 | 112.4 | R31 I80 Q81 | R31-P62 PolarHBondContact NH1-O 3.44Å; R31-P62 PolarHBondContact NH2-O 2.98Å; P62-I80 HydrophobicContact CB-CG2 4.34Å; P62-I80 HydrophobicContact CG-CG2 3.74Å; P62-Q81 WeakPolarHBondContact CD-O 3.12Å | ||
| 63 | S | 94.9 | Very high | 96 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | trans | -154 | 121.4 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | E32 Q61 R65 R66 | E32-S63 VanDerWaalsContact OE2-CB 3.25Å; E32-S63 WeakPolarHBondContact OE2-CB 3.09Å; E32-S63 PolarHBondContact OE2-OG 3.43Å; Q61-S63 PolarHBondContact O-N 3.3Å; S63-R65 VanDerWaalsContact C-N 3.25Å; S63-R65 PolarHBondContact OG-N 3.03Å; S63-R66 PolarHBondContact OG-N 3.38Å | ||
| 64 | N | 92.3 | Very high | 96.1 | Very high | 178 Ų | 178 | 52.4 Ų | 52.4 | 95% | 0.952 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -81.2 | -6.4 | 171.8 | -70.5 | -16.2 | 0 | 0 | 0 | 112.6 | ||
| 65 | R | 93 | Very high | 96.3 | Very high | 115 Ų | 115 | 55.7 Ų | 55.7 | 43% | 0.434 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91.6 | -34.1 | 179 | -70.4 | -176.1 | 177.9 | 170 | 1.1 | 112.4 | N35 R39 S63 A67 | N35-R65 PolarHBondContact O-NH1 2.74Å; R39-R65 VanDerWaalsContact CB-O 3.31Å; R39-R65 WeakPolarHBondContact CB-O 3.48Å; R39-R65 WeakPolarHBondContact CD-O 3.27Å; R39-R65 WeakPolarHBondContact CG-O 3.17Å; S63-R65 VanDerWaalsContact C-N 3.25Å; S63-R65 PolarHBondContact OG-N 3.03Å; R65-A67 PolarHBondContact O-N 3.12Å |
| 66 | R | 95.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | trans | -52.3 | 130.7 | -175.6 | -168.9 | 174.4 | -67.2 | 124.1 | 0 | 111.4 | R30 E32 Q61 S63 I68 | R30-R66 PolarHBondContact O-NH2 2.99Å; R30-R66 VanDerWaalsContact O-NH2 3.08Å; E32-R66 IonicContact OE1-CZ 3.39Å; E32-R66 VanDerWaalsContact OE1-CZ 3.25Å; E32-R66 IonicContact OE1-NE 2.85Å; E32-R66 PolarHBondContact OE1-NE 3.04Å; E32-R66 IonicContact OE1-NH2 2.98Å; E32-R66 PolarHBondContact OE1-NH2 3.28Å; E32-R66 WeakPolarHBondContact OE2-CB 3.35Å; E32-R66 IonicContact OE2-CZ 3.03Å; E32-R66 IonicContact OE2-NE 2.76Å; E32-R66 PolarHBondContact OE2-NE 2.76Å; E32-R66 IonicContact OE2-NH2 3.87Å; E32-R66 PolarHBondContact OE2-NH2 3.14Å; Q61-R66 PolarHBondContact O-NH1 2.78Å; Q61-R66 PolarHBondContact O-NH2 3.07Å; S63-R66 PolarHBondContact OG-N 3.38Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 WeakPolarHBondContact CG-O 3.46Å; R66-I68 PolarHBondContact O-N 3.1Å | ||
| 67 | A | 94.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -68.4 | -33.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R39 R65 P409 I410 | R39-A67 HydrophobicContact CB-CB 4.19Å; R39-A67 PolarHBondContact O-N 2.96Å; R65-A67 PolarHBondContact O-N 3.12Å; A67-P409 HydrophobicContact CB-CB 3.73Å; A67-P409 HydrophobicContact CB-CG 3.4Å; A67-I410 HydrophobicContact CB-CG1 3.83Å |
| 68 | I | 95.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -89.5 | 122.3 | 174.8 | -55.5 | 176 | 0 | 0 | 0 | 108.8 | A44 P45 R66 D72 Y73 I410 T413 | A44-I68 HydrophobicContact CB-CD1 4.24Å; P45-I68 HydrophobicContact CG-CG2 3.59Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 WeakPolarHBondContact CG-O 3.46Å; R66-I68 PolarHBondContact O-N 3.1Å; I68-D72 HydrophobicContact CG2-CB 4.26Å; I68-Y73 HydrophobicContact CB-CE2 3.91Å; I68-Y73 HydrophobicContact CG2-CD2 4.33Å; I68-Y73 HydrophobicContact CG2-CE2 3.75Å; I68-I410 HydrophobicContact CD1-CG2 4.33Å; I68-I410 HydrophobicContact CG1-CB 4.48Å; I68-I410 HydrophobicContact CG1-CG1 4.1Å; I68-I410 HydrophobicContact CG1-CG2 4.19Å; I68-T413 HydrophobicContact CD1-CG2 3.79Å |
| 69 | H | 95 | Very high | 96.6 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | trans | -67.5 | 142.6 | -174.3 | -167.6 | -62 | 0 | 0 | 0 | 111.9 | K71 D72 | H69-K71 VanDerWaalsContact C-N 3.3Å; H69-K71 PolarHBondContact ND1-N 2.9Å; H69-K71 VanDerWaalsContact ND1-N 3.16Å; H69-K71 PolarHBondContact O-N 3.49Å; H69-D72 PolarHBondContact O-N 3.25Å | ||
| 70 | E | 95.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53.4 | -39.6 | -179.3 | 53.2 | 169.1 | -147.9 | 0 | 0 | 114.4 | D72 Y73 V74 I80 | E70-D72 PolarHBondContact O-N 3.14Å; E70-D72 VanDerWaalsContact O-N 3.09Å; E70-Y73 CarbonylContact O-C 3.58Å; E70-Y73 WeakPolarHBondContact O-CA 3.47Å; E70-Y73 WeakPolarHBondContact O-CB 3.33Å; E70-Y73 PolarHBondContact O-N 2.97Å; E70-V74 PolarHBondContact O-N 3.13Å; E70-I80 HydrophobicContact CB-CD1 3.81Å; E70-I80 HydrophobicContact CB-CG1 4.21Å |
| 71 | K | 96.9 | Very high | 96.5 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -48.1 | -35.1 | 172.2 | -72.6 | 176.3 | -179.2 | 175 | 0 | 113.7 | H69 V74 K75 | H69-K71 VanDerWaalsContact C-N 3.3Å; H69-K71 PolarHBondContact ND1-N 2.9Å; H69-K71 VanDerWaalsContact ND1-N 3.16Å; H69-K71 PolarHBondContact O-N 3.49Å; K71-V74 PolarHBondContact O-N 3.26Å; K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.44Å; K71-K75 PolarHBondContact O-N 3.31Å |
| 72 | D | 97.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 65 Ų | 65 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.7 | -31.4 | 179.4 | -60.9 | -38.9 | 0 | 0 | 0 | 111.7 | P45 I68 H69 E70 K75 A76 | P45-D72 HydrophobicContact CG-CB 4.01Å; I68-D72 HydrophobicContact CG2-CB 4.26Å; H69-D72 PolarHBondContact O-N 3.25Å; E70-D72 PolarHBondContact O-N 3.14Å; E70-D72 VanDerWaalsContact O-N 3.09Å; D72-K75 IonicContact OD1-NZ 2.74Å; D72-K75 PolarHBondContact OD1-NZ 2.91Å; D72-A76 WeakPolarHBondContact O-CB 3.48Å; D72-A76 PolarHBondContact O-N 2.95Å; D72-A76 VanDerWaalsContact O-N 3.13Å |
| 73 | Y | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 167.5 | -70.8 | -83.4 | 0 | 0 | 0 | 112.2 | I29 A41 L43 P45 V48 V60 I68 E70 A76 G77 G78 | I29-Y73 HydrophobicContact CD1-CD1 4.37Å; I29-Y73 HydrophobicContact CD1-CE1 3.9Å; A41-Y73 WeakPolarHBondContact CB-OH 3.44Å; L43-Y73 WeakPolarHBondContact O-CE1 3.32Å; L43-Y73 PolarHBondContact O-OH 3.1Å; P45-Y73 HydrophobicContact CG-CD1 4.33Å; P45-Y73 HydrophobicContact CG-CD2 4.42Å; P45-Y73 HydrophobicContact CG-CE1 4.27Å; P45-Y73 HydrophobicContact CG-CE2 4.35Å; P45-Y73 HydrophobicContact CG-CG 4.41Å; V48-Y73 HydrophobicContact CB-CD1 4.49Å; V48-Y73 HydrophobicContact CG2-CD1 3.86Å; V48-Y73 HydrophobicContact CG2-CE1 4.02Å; V60-Y73 HydrophobicContact CG1-CD1 4.44Å; V60-Y73 HydrophobicContact CG1-CG 4.25Å; V60-Y73 HydrophobicContact CG2-CD1 3.97Å; V60-Y73 HydrophobicContact CG2-CG 4.23Å; I68-Y73 HydrophobicContact CB-CE2 3.91Å; I68-Y73 HydrophobicContact CG2-CD2 4.33Å; I68-Y73 HydrophobicContact CG2-CE2 3.75Å; E70-Y73 CarbonylContact O-C 3.58Å; E70-Y73 WeakPolarHBondContact O-CA 3.47Å; E70-Y73 WeakPolarHBondContact O-CB 3.33Å; E70-Y73 PolarHBondContact O-N 2.97Å; Y73-A76 CarbonylContact O-C 3.56Å; Y73-A76 WeakPolarHBondContact O-CA 3.4Å; Y73-A76 WeakPolarHBondContact O-CB 3.26Å; Y73-A76 PolarHBondContact O-N 3.11Å; Y73-A76 VanDerWaalsContact O-N 3.11Å; Y73-G77 PolarHBondContact O-N 2.86Å; Y73-G78 WeakPolarHBondContact O-CA 3.43Å; Y73-G78 PolarHBondContact O-N 3.03Å |
| 74 | V | 98.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 67 Ų | 67 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | E70 K71 A76 G77 I80 | E70-V74 PolarHBondContact O-N 3.13Å; K71-V74 PolarHBondContact O-N 3.26Å; V74-A76 PolarHBondContact O-N 3.27Å; V74-G77 PolarHBondContact O-N 2.9Å; V74-I80 HydrophobicContact CG2-CD1 4Å; V74-I80 HydrophobicContact CG2-CG1 3.53Å |
| 75 | K | 98.3 | Very high | 96.6 | Very high | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.8 | -30 | 174.7 | -71.6 | 169.8 | -164.9 | 160.3 | 0 | 112.7 | K71 D72 G77 | K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.44Å; K71-K75 PolarHBondContact O-N 3.31Å; D72-K75 IonicContact OD1-NZ 2.74Å; D72-K75 PolarHBondContact OD1-NZ 2.91Å; K75-G77 PolarHBondContact O-N 3.28Å |
| 76 | A | 98.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P45 V48 K49 T52 D72 Y73 V74 | P45-A76 HydrophobicContact CB-CB 4.01Å; P45-A76 WeakPolarHBondContact O-CB 3.17Å; V48-A76 HydrophobicContact CB-CB 4.14Å; V48-A76 HydrophobicContact CG1-CB 4.08Å; K49-A76 VanDerWaalsContact CA-O 3.26Å; K49-A76 WeakPolarHBondContact CA-O 3.45Å; K49-A76 HydrophobicContact CB-CB 3.95Å; T52-A76 PolarHBondContact OG1-O 2.64Å; D72-A76 WeakPolarHBondContact O-CB 3.48Å; D72-A76 PolarHBondContact O-N 2.95Å; D72-A76 VanDerWaalsContact O-N 3.13Å; Y73-A76 CarbonylContact O-C 3.56Å; Y73-A76 WeakPolarHBondContact O-CA 3.4Å; Y73-A76 WeakPolarHBondContact O-CB 3.26Å; Y73-A76 PolarHBondContact O-N 3.11Å; Y73-A76 VanDerWaalsContact O-N 3.11Å; V74-A76 PolarHBondContact O-N 3.27Å |
| 77 | G | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 59 Ų | 59 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 6.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T52 Y73 V74 K75 | T52-G77 WeakPolarHBondContact CG2-O 3.43Å; Y73-G77 PolarHBondContact O-N 2.86Å; V74-G77 PolarHBondContact O-N 2.9Å; K75-G77 PolarHBondContact O-N 3.28Å |
| 78 | G | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | trans | -70.7 | 149 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | V58 Y73 | V58-G78 WeakPolarHBondContact O-CA 3.14Å; Y73-G78 WeakPolarHBondContact O-CA 3.43Å; Y73-G78 PolarHBondContact O-N 3.03Å | ||
| 79 | I | 98.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.3 | -179 | -58.6 | 170.5 | 0 | 0 | 0 | 108.4 | K57 V58 L59 V60 Q81 | K57-I79 HydrophobicContact CD-CD1 4.26Å; K57-I79 HydrophobicContact CG-CD1 3.9Å; V58-I79 PolarHBondContact O-N 3.09Å; L59-I79 CarbonylContact C-O 3.49Å; L59-I79 WeakPolarHBondContact CA-O 3.22Å; L59-I79 HydrophobicContact CD2-CB 4.04Å; L59-I79 HydrophobicContact CD2-CG2 4.18Å; V60-I79 PolarHBondContact N-O 3.02Å; I79-Q81 PolarHBondContact O-N 3.48Å |
| 80 | I | 98.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.3 | 176.3 | -52.8 | -50.2 | 0 | 0 | 0 | 108.9 | V60 P62 E70 V74 | V60-I80 HydrophobicContact CB-CD1 3.89Å; V60-I80 HydrophobicContact CG1-CD1 4.18Å; V60-I80 WeakPolarHBondContact O-CA 3.48Å; P62-I80 HydrophobicContact CB-CG2 4.34Å; P62-I80 HydrophobicContact CG-CG2 3.74Å; E70-I80 HydrophobicContact CB-CD1 3.81Å; E70-I80 HydrophobicContact CB-CG1 4.21Å; V74-I80 HydrophobicContact CG2-CD1 4Å; V74-I80 HydrophobicContact CG2-CG1 3.53Å |
| 81 | Q | 96.9 | Very high | 97 | Very high | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | trans | -150.9 | 128.8 | -174.6 | -171.5 | 173 | -56 | 0 | 0 | 111 | L59 V60 Q61 P62 I79 D83 | L59-Q81 HydrophobicContact CD2-CB 4.14Å; V60-Q81 PolarHBondContact O-N 3.37Å; V60-Q81 VanDerWaalsContact O-N 3.07Å; Q61-Q81 WeakPolarHBondContact CA-O 3.25Å; P62-Q81 WeakPolarHBondContact CD-O 3.12Å; I79-Q81 PolarHBondContact O-N 3.48Å; Q81-D83 PolarHBondContact NE2-O 2.84Å | ||
| 82 | E | 96 | Very high | 97 | Very high | 102 Ų | 102 | 43 Ų | 43 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -66.8 | -47.7 | 177 | -174.8 | 60.2 | -121.1 | 0 | 0 | 111.8 | R31 Q61 I84 | R31-E82 IonicContact CZ-OE1 3.74Å; R31-E82 VanDerWaalsContact CZ-OE1 3.31Å; R31-E82 IonicContact CZ-OE2 2.8Å; R31-E82 IonicContact NE-OE1 3.46Å; R31-E82 IonicContact NH2-OE1 3.62Å; R31-E82 PolarHBondContact NH2-OE1 3.33Å; R31-E82 IonicContact NH2-OE2 2.76Å; R31-E82 PolarHBondContact NH2-OE2 2.9Å; Q61-E82 PolarHBondContact NE2-O 3.28Å; Q61-E82 PolarHBondContact NE2-OE1 3.25Å; E82-I84 PolarHBondContact O-N 3.05Å |
| 83 | D | 96.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | trans | -74.2 | 109.4 | -178.8 | -176.8 | 6.4 | 0 | 0 | 0 | 111.4 | Q81 S85 | Q81-D83 PolarHBondContact NE2-O 2.84Å; D83-S85 VanDerWaalsContact CG-OG 3.31Å; D83-S85 WeakPolarHBondContact OD1-CB 3.4Å; D83-S85 PolarHBondContact OD1-N 3.5Å; D83-S85 PolarHBondContact OD1-OG 2.91Å; D83-S85 PolarHBondContact OD2-OG 2.96Å; D83-S85 VanDerWaalsContact OD2-OG 3.13Å | ||
| 84 | I | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | trans | -56.4 | -32.2 | 170.2 | 87.6 | 171.5 | 0 | 0 | 0 | 119.5 | A28 R30 L59 Q61 E82 E86 A87 I90 I102 | A28-I84 HydrophobicContact CB-CB 3.79Å; A28-I84 HydrophobicContact CB-CD1 3.95Å; A28-I84 HydrophobicContact CB-CG1 4.41Å; A28-I84 HydrophobicContact CB-CG2 3.89Å; R30-I84 HydrophobicContact CB-CD1 3.99Å; L59-I84 HydrophobicContact CB-CG2 4.3Å; L59-I84 HydrophobicContact CD1-CG2 4.4Å; Q61-I84 HydrophobicContact CB-CG2 4.41Å; Q61-I84 HydrophobicContact CG-CG2 4.46Å; E82-I84 PolarHBondContact O-N 3.05Å; I84-E86 VanDerWaalsContact C-N 3.26Å; I84-E86 PolarHBondContact O-N 3.21Å; I84-E86 VanDerWaalsContact O-N 3.11Å; I84-A87 WeakPolarHBondContact O-CB 3.47Å; I84-A87 PolarHBondContact O-N 2.92Å; I84-I90 HydrophobicContact CD1-CG2 4.03Å; I84-I102 HydrophobicContact CG1-CD1 4.38Å | ||
| 85 | S | 95.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.8 | -141.3 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | D83 A87 K105 | D83-S85 VanDerWaalsContact CG-OG 3.31Å; D83-S85 WeakPolarHBondContact OD1-CB 3.4Å; D83-S85 PolarHBondContact OD1-N 3.5Å; D83-S85 PolarHBondContact OD1-OG 2.91Å; D83-S85 PolarHBondContact OD2-OG 2.96Å; D83-S85 VanDerWaalsContact OD2-OG 3.13Å; S85-A87 PolarHBondContact O-N 3.08Å; S85-K105 VanDerWaalsContact O-CE 3.25Å; S85-K105 WeakPolarHBondContact O-CE 3.44Å; S85-K105 PolarHBondContact O-NZ 3.06Å |
| 86 | E | 94.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.8 | 173.9 | -167.7 | -174.3 | 160.5 | 0 | 0 | 112.5 | V26 K57 L59 I84 | V26-E86 HydrophobicContact CG2-CG 3.97Å; K57-E86 IonicContact NZ-OE1 3.38Å; K57-E86 PolarHBondContact NZ-OE1 3.36Å; K57-E86 IonicContact NZ-OE2 3.21Å; K57-E86 PolarHBondContact NZ-OE2 3.03Å; L59-E86 HydrophobicContact CD1-CB 4.31Å; I84-E86 VanDerWaalsContact C-N 3.26Å; I84-E86 PolarHBondContact O-N 3.21Å; I84-E86 VanDerWaalsContact O-N 3.11Å |
| 87 | A | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -61 | 135.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V26 A28 I84 S85 I90 K105 | V26-A87 HydrophobicContact CG1-CB 4.4Å; V26-A87 CarbonylContact O-C 3.53Å; V26-A87 VanDerWaalsContact O-CA 3.28Å; V26-A87 WeakPolarHBondContact O-CA 3.46Å; A28-A87 HydrophobicContact CB-CB 3.47Å; A28-A87 VanDerWaalsContact CB-CB 3.47Å; I84-A87 WeakPolarHBondContact O-CB 3.47Å; I84-A87 PolarHBondContact O-N 2.92Å; S85-A87 PolarHBondContact O-N 3.08Å; A87-I90 HydrophobicContact CB-CG1 3.91Å; A87-K105 VanDerWaalsContact O-CD 3.24Å; A87-K105 WeakPolarHBondContact O-CD 3.4Å; A87-K105 VanDerWaalsContact O-CE 3.23Å; A87-K105 WeakPolarHBondContact O-CE 3.46Å; A87-K105 PolarHBondContact O-NZ 3.42Å | ||
| 88 | S | 93.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -85.7 | -34 | 167.3 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | V26 N106 L428 | V26-S88 PolarHBondContact O-N 2.85Å; V26-S88 PolarHBondContact O-OG 3.16Å; S88-N106 WeakPolarHBondContact O-CB 3.34Å; S88-N106 PolarHBondContact O-N 2.84Å; S88-L428 PolarHBondContact OG-O 3.1Å |
| 89 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.7 | 175.2 | 176.1 | 65.9 | 0 | 0 | 0 | 110.8 | V26 L27 A28 V91 N106 A108 M427 L428 | V26-L89 PolarHBondContact O-N 3.18Å; L27-L89 CarbonylContact C-O 3.5Å; L27-L89 WeakPolarHBondContact CA-O 3.36Å; L27-L89 HydrophobicContact CD1-CD2 3.95Å; A28-L89 PolarHBondContact N-O 2.88Å; L89-V91 HydrophobicContact CD1-CG1 4.18Å; L89-V91 HydrophobicContact CD2-CG1 3.99Å; L89-V91 HydrophobicContact CG-CG1 3.86Å; L89-N106 WeakPolarHBondContact CA-O 3.44Å; L89-N106 HydrophobicContact CB-CB 4.48Å; L89-N106 HydrophobicContact CD1-CB 3.74Å; L89-A108 HydrophobicContact CD1-CB 4.43Å; L89-M427 HydrophobicContact CD1-CB 4.1Å; L89-M427 HydrophobicContact CD2-CB 3.62Å; L89-M427 HydrophobicContact CG-CB 4.5Å; L89-L428 HydrophobicContact CB-CD1 3.95Å; L89-L428 HydrophobicContact CD2-CB 4.11Å |
| 90 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.7 | 175 | -60.1 | 169 | 0 | 0 | 0 | 108.2 | A28 R30 I84 A87 I102 K105 N106 Y107 A108 | A28-I90 HydrophobicContact CB-CG1 4.25Å; A28-I90 WeakPolarHBondContact O-CA 3.47Å; R30-I90 HydrophobicContact CB-CG2 4.08Å; I84-I90 HydrophobicContact CD1-CG2 4.03Å; A87-I90 HydrophobicContact CB-CG1 3.91Å; I90-I102 HydrophobicContact CD1-CD1 3.91Å; I90-K105 HydrophobicContact CD1-CB 4.37Å; I90-K105 HydrophobicContact CD1-CG 4.35Å; I90-N106 PolarHBondContact N-O 2.88Å; I90-Y107 HydrophobicContact CB-CD1 4.07Å; I90-Y107 HydrophobicContact CB-CE1 3.9Å; I90-Y107 HydrophobicContact CB-CE2 4.41Å; I90-Y107 HydrophobicContact CB-CG 4.39Å; I90-Y107 HydrophobicContact CD1-CE1 4.2Å; I90-Y107 HydrophobicContact CD1-CE2 3.79Å; I90-Y107 WeakPolarHBondContact CD1-OH 3.49Å; I90-Y107 HydrophobicContact CG2-CD1 4.02Å; I90-Y107 HydrophobicContact CG2-CE1 3.61Å; I90-Y107 WeakPolarHBondContact O-CA 3.35Å; I90-A108 PolarHBondContact O-N 2.94Å |
| 91 | V | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.6 | -179.4 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | L27 A28 I29 R30 P42 L43 L89 A108 I424 | L27-V91 HydrophobicContact CD2-CG2 4.01Å; L27-V91 HydrophobicContact CG-CG2 4.47Å; A28-V91 WeakPolarHBondContact O-CG2 3.45Å; A28-V91 PolarHBondContact O-N 2.87Å; I29-V91 HydrophobicContact CG1-CG2 4.09Å; R30-V91 PolarHBondContact N-O 3.32Å; R30-V91 VanDerWaalsContact N-O 3.07Å; P42-V91 HydrophobicContact CB-CB 4.24Å; P42-V91 HydrophobicContact CB-CG2 4.25Å; P42-V91 HydrophobicContact CG-CB 3.89Å; P42-V91 HydrophobicContact CG-CG2 3.54Å; L43-V91 HydrophobicContact CD1-CG2 4.44Å; L89-V91 HydrophobicContact CD1-CG1 4.18Å; L89-V91 HydrophobicContact CD2-CG1 3.99Å; L89-V91 HydrophobicContact CG-CG1 3.86Å; V91-A108 WeakPolarHBondContact CA-O 3.21Å; V91-A108 HydrophobicContact CG1-CB 4.23Å; V91-I424 HydrophobicContact CG1-CD1 4.36Å |
| 92 | G | 96.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 44 Ų | 44 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A108 F109 Y137 | G92-A108 PolarHBondContact N-O 3.35Å; G92-A108 VanDerWaalsContact N-O 3.09Å; G92-F109 VanDerWaalsContact O-CA 3.32Å; G92-F109 WeakPolarHBondContact O-CA 3.45Å; G92-F109 WeakPolarHBondContact O-CB 3.43Å; G92-Y137 VanDerWaalsContact O-CE2 3.26Å; G92-Y137 WeakPolarHBondContact O-CE2 3.29Å |
| 93 | V | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -47.6 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | R40 A41 P42 F110 F151 | R40-V93 HydrophobicContact CB-CG2 4.06Å; A41-V93 VanDerWaalsContact C-CG2 3.48Å; P42-V93 HydrophobicContact CB-CG2 4.49Å; V93-F110 VanDerWaalsContact O-CD2 3.29Å; V93-F110 WeakPolarHBondContact O-CD2 3.44Å; V93-F110 PolarHBondContact O-N 3.47Å; V93-F151 HydrophobicContact CG1-CE2 3.68Å; V93-F151 HydrophobicContact CG1-CZ 3.68Å; V93-F151 HydrophobicContact CG2-CZ 4.3Å |
| 94 | K | 92.1 | Very high | 94 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 166.1 | -180 | -67.5 | -64.7 | -173.5 | 171.2 | 0 | 111.2 | V34 E38 H112 | V34-K94 HydrophobicContact CB-CB 4.26Å; V34-K94 HydrophobicContact CG1-CB 4.4Å; V34-K94 HydrophobicContact CG1-CG 4.38Å; V34-K94 HydrophobicContact CG2-CB 4.06Å; E38-K94 HydrophobicContact CG-CG 4.27Å; E38-K94 WeakPolarHBondContact OE2-CG 3.37Å; K94-H112 PolarHBondContact NZ-NE2 3.38Å |
| 95 | R | 89.8 | Confident | 93.9 | Very high | 95 Ų | 95 | 44.4 Ų | 44.4 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -55.3 | 141.6 | 178.7 | 64.9 | -173.5 | -173.9 | 169.2 | 11.8 | 112.8 | V34 F109 A119 N120 L123 | V34-R95 HydrophobicContact CG2-CG 4.34Å; R95-F109 HydrophobicContact CB-CD2 4.03Å; R95-F109 HydrophobicContact CB-CE2 3.71Å; R95-F109 HydrophobicContact CB-CZ 4.49Å; R95-A119 PolarHBondContact NH1-O 2.97Å; R95-N120 PolarHBondContact NH1-OD1 3.28Å; R95-L123 HydrophobicContact CB-CD2 3.65Å; R95-L123 HydrophobicContact CG-CD2 4.41Å |
| 96 | P | 91.5 | Very high | 94 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 157.9 | 170.3 | 33.6 | -35.7 | 0 | 0 | 0 | 111.5 | R30 L101 Y107 F109 | R30-P96 VanDerWaalsContact CZ-CB 3.48Å; P96-L101 HydrophobicContact CB-CD2 4.46Å; P96-L101 HydrophobicContact CG-CD2 3.47Å; P96-L101 VanDerWaalsContact CG-CD2 3.47Å; P96-L101 HydrophobicContact CG-CG 4.26Å; P96-Y107 HydrophobicContact CG-CD1 4.37Å; P96-Y107 HydrophobicContact CG-CE1 4.08Å; P96-F109 HydrophobicContact CG-CE1 4.24Å; P96-F109 HydrophobicContact CG-CZ 4.4Å |
| 97 | P | 90.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 139.7 | 162.2 | -23.7 | 35.2 | 0 | 0 | 0 | 111.2 | D33 D99 K100 | D33-P97 WeakPolarHBondContact OD1-CD 3.4Å; D33-P97 WeakPolarHBondContact OD2-CG 3.4Å; P97-D99 VanDerWaalsContact C-N 3.31Å; P97-D99 WeakPolarHBondContact CB-OD1 3.38Å; P97-D99 PolarHBondContact O-N 3.06Å; P97-K100 HydrophobicContact CB-CD 4.22Å; P97-K100 HydrophobicContact CB-CG 4.19Å; P97-K100 HydrophobicContact CG-CD 4.07Å; P97-K100 PolarHBondContact O-N 3.38Å |
| 98 | E | 90.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -60.2 | -39.9 | -173.9 | -65.3 | 173.2 | -167.1 | 0 | 0 | 112.1 | K100 L101 S122 L123 E126 | E98-K100 PolarHBondContact O-N 3.44Å; E98-K100 VanDerWaalsContact O-N 3.13Å; E98-L101 WeakPolarHBondContact O-CB 3.45Å; E98-L101 PolarHBondContact O-N 3.49Å; E98-S122 VanDerWaalsContact OE1-CB 3.23Å; E98-S122 WeakPolarHBondContact OE1-CB 3.34Å; E98-S122 PolarHBondContact OE1-OG 2.91Å; E98-L123 HydrophobicContact CG-CB 4.43Å; E98-L123 HydrophobicContact CG-CD1 4.14Å; E98-L123 PolarHBondContact OE1-N 3.48Å; E98-E126 HydrophobicContact CB-CG 4.48Å |
| 99 | D | 90.8 | Very high | 94.4 | Very high | 134 Ų | 134 | 37.2 Ų | 37.2 | 72% | 0.717 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -65.1 | -14.8 | 178.1 | 66.8 | -55.4 | 0 | 0 | 0 | 113.8 | P97 | P97-D99 VanDerWaalsContact C-N 3.31Å; P97-D99 WeakPolarHBondContact CB-OD1 3.38Å; P97-D99 PolarHBondContact O-N 3.06Å |
| 100 | K | 91.5 | Very high | 94.2 | Very high | 83 Ų | 83 | 37.7 Ų | 37.7 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -107.7 | 7.6 | -179.2 | -53.5 | -176.3 | -172 | 173.3 | 0 | 113.3 | R30 D33 P97 E98 | R30-K100 PolarHBondContact NH2-O 2.64Å; D33-K100 IonicContact OD2-NZ 2.67Å; D33-K100 PolarHBondContact OD2-NZ 3.44Å; P97-K100 HydrophobicContact CB-CD 4.22Å; P97-K100 HydrophobicContact CB-CG 4.19Å; P97-K100 HydrophobicContact CG-CD 4.07Å; P97-K100 PolarHBondContact O-N 3.38Å; E98-K100 PolarHBondContact O-N 3.44Å; E98-K100 VanDerWaalsContact O-N 3.13Å |
| 101 | L | 95.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | trans | -67.1 | 145.6 | 171 | -75.1 | 173.3 | 0 | 0 | 0 | 110 | P96 E98 Y107 L123 E126 I127 Q130 I132 | P96-L101 HydrophobicContact CB-CD2 4.46Å; P96-L101 HydrophobicContact CG-CD2 3.47Å; P96-L101 VanDerWaalsContact CG-CD2 3.47Å; P96-L101 HydrophobicContact CG-CG 4.26Å; E98-L101 WeakPolarHBondContact O-CB 3.45Å; E98-L101 PolarHBondContact O-N 3.49Å; L101-Y107 HydrophobicContact CD2-CD1 4.38Å; L101-Y107 HydrophobicContact CD2-CE1 3.95Å; L101-Y107 HydrophobicContact CD2-CE2 4.25Å; L101-L123 HydrophobicContact CD1-CD1 3.88Å; L101-E126 HydrophobicContact CD1-CB 3.99Å; L101-E126 HydrophobicContact CD1-CG 3.56Å; L101-I127 HydrophobicContact CD1-CG1 4.03Å; L101-Q130 VanDerWaalsContact CB-NE2 3.34Å; L101-Q130 PolarHBondContact O-OE1 2.7Å; L101-I132 HydrophobicContact CB-CD1 3.86Å; L101-I132 HydrophobicContact CD1-CD1 4.32Å; L101-I132 HydrophobicContact CD2-CD1 3.83Å; L101-I132 HydrophobicContact CG-CD1 4.22Å | ||
| 102 | I | 95.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | trans | -117.4 | 123.4 | -178.2 | -60.6 | 166.5 | 0 | 0 | 0 | 107.3 | I84 I90 K105 Y107 Q130 I132 | I84-I102 HydrophobicContact CG1-CD1 4.38Å; I90-I102 HydrophobicContact CD1-CD1 3.91Å; I102-K105 HydrophobicContact CB-CG 4Å; I102-K105 HydrophobicContact CG2-CD 4.41Å; I102-K105 HydrophobicContact CG2-CG 3.7Å; I102-K105 WeakPolarHBondContact O-CG 3.46Å; I102-Y107 PolarHBondContact N-OH 3.2Å; I102-Q130 VanDerWaalsContact C-OE1 3.26Å; I102-I132 WeakPolarHBondContact O-CD1 3.42Å | ||
| 103 | P | 94.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 149.1 | -174.7 | -24.4 | 32.6 | 0 | 0 | 0 | 114.4 | K105 Q130 | P103-K105 VanDerWaalsContact C-N 3.25Å; P103-K105 PolarHBondContact O-N 2.95Å; P103-Q130 CarbonylContact C-O 3.53Å; P103-Q130 VanDerWaalsContact CA-O 3.29Å; P103-Q130 WeakPolarHBondContact CA-O 3.29Å; P103-Q130 HydrophobicContact CB-CB 4.18Å; P103-Q130 WeakPolarHBondContact CB-O 3.2Å; P103-Q130 HydrophobicContact CG-CB 4.27Å; P103-Q130 HydrophobicContact CG-CG 4.2Å; P103-Q130 VanDerWaalsContact N-OE1 3.11Å |
| 104 | K | 93.4 | Very high | 92.4 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.7 | 172 | -53.5 | -177.1 | -171.1 | -123.3 | 0 | 114.4 | Q130 E131 | K104-Q130 PolarHBondContact N-O 2.78Å; K104-E131 WeakPolarHBondContact CE-OE1 3.25Å; K104-E131 WeakPolarHBondContact CE-OE2 3.44Å; K104-E131 HydrophobicContact CG-CB 4.05Å; K104-E131 IonicContact NZ-OE1 3.79Å; K104-E131 PolarHBondContact NZ-OE1 2.95Å; K104-E131 IonicContact NZ-OE2 3.51Å; K104-E131 PolarHBondContact NZ-OE2 3.48Å |
| 105 | K | 94.8 | Very high | 91.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | trans | -106.8 | 162.4 | 175.6 | -57.8 | -52.4 | -167.4 | 159.7 | 0 | 111.8 | S85 A87 I90 I102 P103 Y107 R133 | S85-K105 VanDerWaalsContact O-CE 3.25Å; S85-K105 WeakPolarHBondContact O-CE 3.44Å; S85-K105 PolarHBondContact O-NZ 3.06Å; A87-K105 VanDerWaalsContact O-CD 3.24Å; A87-K105 WeakPolarHBondContact O-CD 3.4Å; A87-K105 VanDerWaalsContact O-CE 3.23Å; A87-K105 WeakPolarHBondContact O-CE 3.46Å; A87-K105 PolarHBondContact O-NZ 3.42Å; I90-K105 HydrophobicContact CD1-CB 4.37Å; I90-K105 HydrophobicContact CD1-CG 4.35Å; I102-K105 HydrophobicContact CB-CG 4Å; I102-K105 HydrophobicContact CG2-CD 4.41Å; I102-K105 HydrophobicContact CG2-CG 3.7Å; I102-K105 WeakPolarHBondContact O-CG 3.46Å; P103-K105 VanDerWaalsContact C-N 3.25Å; P103-K105 PolarHBondContact O-N 2.95Å; K105-Y107 HydrophobicContact CB-CD2 4.17Å; K105-Y107 HydrophobicContact CB-CE2 3.95Å; K105-R133 PolarHBondContact O-N 3.1Å | ||
| 106 | N | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.3 | 165.1 | -53.3 | -32.8 | 0 | 0 | 0 | 109.1 | S88 L89 I90 R133 M427 S430 G432 | S88-N106 WeakPolarHBondContact O-CB 3.34Å; S88-N106 PolarHBondContact O-N 2.84Å; L89-N106 WeakPolarHBondContact CA-O 3.44Å; L89-N106 HydrophobicContact CB-CB 4.48Å; L89-N106 HydrophobicContact CD1-CB 3.74Å; I90-N106 PolarHBondContact N-O 2.88Å; N106-R133 WeakPolarHBondContact CA-O 3.46Å; N106-R133 WeakPolarHBondContact OD1-CB 3.5Å; N106-M427 PolarHBondContact ND2-O 3.31Å; N106-M427 VanDerWaalsContact ND2-O 3.14Å; N106-S430 PolarHBondContact ND2-O 3.12Å; N106-S430 PolarHBondContact ND2-OG 3.37Å; N106-S430 PolarHBondContact OD1-OG 2.77Å; N106-G432 WeakPolarHBondContact OD1-CA 3.32Å; N106-G432 PolarHBondContact OD1-N 3.37Å |
| 107 | Y | 97.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.7 | 172.7 | -87.5 | -99.7 | 0 | 0 | 0 | 110 | I90 P96 L101 I102 K105 F109 I132 R133 I135 | I90-Y107 HydrophobicContact CB-CD1 4.07Å; I90-Y107 HydrophobicContact CB-CE1 3.9Å; I90-Y107 HydrophobicContact CB-CE2 4.41Å; I90-Y107 HydrophobicContact CB-CG 4.39Å; I90-Y107 HydrophobicContact CD1-CE1 4.2Å; I90-Y107 HydrophobicContact CD1-CE2 3.79Å; I90-Y107 WeakPolarHBondContact CD1-OH 3.49Å; I90-Y107 HydrophobicContact CG2-CD1 4.02Å; I90-Y107 HydrophobicContact CG2-CE1 3.61Å; I90-Y107 WeakPolarHBondContact O-CA 3.35Å; P96-Y107 HydrophobicContact CG-CD1 4.37Å; P96-Y107 HydrophobicContact CG-CE1 4.08Å; L101-Y107 HydrophobicContact CD2-CD1 4.38Å; L101-Y107 HydrophobicContact CD2-CE1 3.95Å; L101-Y107 HydrophobicContact CD2-CE2 4.25Å; I102-Y107 PolarHBondContact N-OH 3.2Å; K105-Y107 HydrophobicContact CB-CD2 4.17Å; K105-Y107 HydrophobicContact CB-CE2 3.95Å; Y107-F109 HydrophobicContact CD1-CD1 4.11Å; Y107-F109 AromaticContact CD1-CE1 3.8Å; Y107-F109 HydrophobicContact CD1-CE1 3.8Å; Y107-F109 HydrophobicContact CG-CE1 4.16Å; Y107-I132 HydrophobicContact CD2-CD1 4.19Å; Y107-I132 HydrophobicContact CD2-CG1 4.44Å; Y107-I132 HydrophobicContact CD2-CG2 3.54Å; Y107-I132 HydrophobicContact CE2-CD1 3.97Å; Y107-I132 HydrophobicContact CE2-CG1 4.48Å; Y107-I132 HydrophobicContact CE2-CG2 4.36Å; Y107-I132 HydrophobicContact CG-CG2 4.12Å; Y107-R133 PolarHBondContact N-O 2.99Å; Y107-I135 PolarHBondContact O-N 3.04Å |
| 108 | A | 97.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | L89 I90 V91 G92 I135 Y137 M427 | L89-A108 HydrophobicContact CD1-CB 4.43Å; I90-A108 PolarHBondContact O-N 2.94Å; V91-A108 WeakPolarHBondContact CA-O 3.21Å; V91-A108 HydrophobicContact CG1-CB 4.23Å; G92-A108 PolarHBondContact N-O 3.35Å; G92-A108 VanDerWaalsContact N-O 3.09Å; A108-I135 VanDerWaalsContact CA-O 3.32Å; A108-I135 WeakPolarHBondContact CA-O 3.2Å; A108-I135 HydrophobicContact CB-CB 3.98Å; A108-I135 HydrophobicContact CB-CD1 4.45Å; A108-I135 HydrophobicContact CB-CG2 4.34Å; A108-Y137 HydrophobicContact CB-CD1 4.45Å; A108-Y137 HydrophobicContact CB-CE1 3.56Å; A108-Y137 PolarHBondContact O-OH 2.93Å; A108-Y137 VanDerWaalsContact O-OH 3.05Å; A108-M427 HydrophobicContact CB-SD 4.17Å |
| 109 | F | 96.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 170.9 | 179.4 | 58.1 | -95 | 0 | 0 | 0 | 111.6 | G92 R95 P96 Y107 S111 L123 I127 L134 I135 Y137 | G92-F109 VanDerWaalsContact O-CA 3.32Å; G92-F109 WeakPolarHBondContact O-CA 3.45Å; G92-F109 WeakPolarHBondContact O-CB 3.43Å; R95-F109 HydrophobicContact CB-CD2 4.03Å; R95-F109 HydrophobicContact CB-CE2 3.71Å; R95-F109 HydrophobicContact CB-CZ 4.49Å; P96-F109 HydrophobicContact CG-CE1 4.24Å; P96-F109 HydrophobicContact CG-CZ 4.4Å; Y107-F109 HydrophobicContact CD1-CD1 4.11Å; Y107-F109 AromaticContact CD1-CE1 3.8Å; Y107-F109 HydrophobicContact CD1-CE1 3.8Å; Y107-F109 HydrophobicContact CG-CE1 4.16Å; F109-S111 PolarHBondContact O-N 3.45Å; F109-S111 VanDerWaalsContact O-N 3.13Å; F109-L123 HydrophobicContact CE2-CD2 4.01Å; F109-L123 HydrophobicContact CZ-CD2 4.17Å; F109-I127 HydrophobicContact CZ-CD1 4.08Å; F109-L134 HydrophobicContact CD1-CD1 4.21Å; F109-L134 HydrophobicContact CE1-CD1 3.59Å; F109-L134 HydrophobicContact CE2-CD1 4.06Å; F109-L134 HydrophobicContact CZ-CD1 3.5Å; F109-I135 PolarHBondContact N-O 3.23Å; F109-Y137 VanDerWaalsContact CA-CE2 3.44Å |
| 110 | F | 92.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 99.4 | 168.8 | -73.5 | -63.5 | 0 | 0 | 0 | 110.9 | V93 Y137 E138 F151 F416 | V93-F110 VanDerWaalsContact O-CD2 3.29Å; V93-F110 WeakPolarHBondContact O-CD2 3.44Å; V93-F110 PolarHBondContact O-N 3.47Å; F110-Y137 AromaticContact CD2-CD2 3.94Å; F110-Y137 HydrophobicContact CD2-CD2 3.94Å; F110-Y137 HydrophobicContact CE1-CD2 4.36Å; F110-Y137 HydrophobicContact CE1-CG 4.33Å; F110-Y137 AromaticContact CE2-CD2 3.76Å; F110-Y137 HydrophobicContact CE2-CD2 3.76Å; F110-Y137 HydrophobicContact CE2-CG 4.42Å; F110-Y137 HydrophobicContact CG-CD2 4.31Å; F110-Y137 VanDerWaalsContact CZ-CB 3.43Å; F110-Y137 AromaticContact CZ-CD2 3.99Å; F110-Y137 HydrophobicContact CZ-CD2 3.99Å; F110-Y137 HydrophobicContact CZ-CG 4.19Å; F110-E138 HydrophobicContact CD1-CB 4.22Å; F110-E138 HydrophobicContact CE1-CB 4.35Å; F110-F151 HydrophobicContact CD2-CE2 4.21Å; F110-F151 AromaticContact CE2-CD2 3.99Å; F110-F151 HydrophobicContact CE2-CD2 3.99Å; F110-F151 AromaticContact CE2-CE2 3.55Å; F110-F151 HydrophobicContact CE2-CE2 3.55Å; F110-F151 HydrophobicContact CZ-CE2 4.48Å; F110-F416 AromaticContact CE2-CE2 3.53Å; F110-F416 HydrophobicContact CE2-CE2 3.53Å; F110-F416 AromaticContact CE2-CZ 3.85Å; F110-F416 HydrophobicContact CE2-CZ 3.85Å; F110-F416 AromaticContact CZ-CE2 3.69Å; F110-F416 HydrophobicContact CZ-CE2 3.69Å; F110-F416 HydrophobicContact CZ-CZ 4.17Å |
| 111 | S | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.5 | -30.1 | -172.8 | 86.1 | 0 | 0 | 0 | 0 | 113.3 | F109 T113 D136 | F109-S111 PolarHBondContact O-N 3.45Å; F109-S111 VanDerWaalsContact O-N 3.13Å; S111-T113 PolarHBondContact O-N 3.18Å; S111-T113 WeakPolarHBondContact OG-CG2 3.43Å; S111-T113 PolarHBondContact OG-N 3.39Å; S111-T113 PolarHBondContact OG-OG1 2.93Å; S111-D136 WeakPolarHBondContact CB-OD2 3.3Å; S111-D136 PolarHBondContact N-OD2 2.94Å; S111-D136 PolarHBondContact OG-OD2 3.34Å | ||
| 112 | H | 86.7 | Confident | 87.9 | Confident | 64 Ų | 64 | 39.9 Ų | 39.9 | 30% | 0.296 | 21% | 0.209 | S | C | . | . | trans | 55.1 | 26.5 | -175 | -57.4 | -61.2 | 0 | 0 | 0 | 113.4 | K94 N120 D136 E138 | K94-H112 PolarHBondContact NZ-NE2 3.38Å; H112-N120 WeakPolarHBondContact CB-ND2 3.4Å; H112-N120 PolarHBondContact O-ND2 3.33Å; H112-D136 PolarHBondContact N-OD2 2.84Å; H112-E138 IonicContact CE1-OE2 2.85Å; H112-E138 IonicContact ND1-OE2 3.51Å; H112-E138 PolarHBondContact ND1-OE2 2.82Å | ||
| 113 | T | 86.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -87.6 | -24.6 | -177.5 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | S111 K115 A116 N120 M121 L124 | S111-T113 PolarHBondContact O-N 3.18Å; S111-T113 WeakPolarHBondContact OG-CG2 3.43Å; S111-T113 PolarHBondContact OG-N 3.39Å; S111-T113 PolarHBondContact OG-OG1 2.93Å; T113-K115 PolarHBondContact O-N 2.88Å; T113-A116 PolarHBondContact O-N 2.99Å; T113-N120 HydrophobicContact CG2-CB 4.2Å; T113-M121 HydrophobicContact CG2-CE 4.48Å; T113-L124 HydrophobicContact CG2-CB 3.97Å | ||
| 114 | I | 85.1 | Confident | 87.8 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.3 | -172.1 | 57 | 159.6 | 0 | 0 | 0 | 115.5 | E138 K139 I450 Y460 Y462 | I114-E138 HydrophobicContact CD1-CG 4.25Å; I114-K139 HydrophobicContact CD1-CD 4.18Å; I114-K139 HydrophobicContact CD1-CG 4.47Å; I114-K139 HydrophobicContact CG2-CG 3.96Å; I114-I450 HydrophobicContact CG2-CD1 3.64Å; I114-I450 HydrophobicContact CG2-CG1 4.43Å; I114-Y460 HydrophobicContact CG2-CD1 4.2Å; I114-Y460 HydrophobicContact CG2-CE1 3.92Å; I114-Y462 WeakPolarHBondContact O-CE2 3.29Å; I114-Y462 PolarHBondContact O-OH 3.03Å |
| 115 | K | 78.9 | Confident | 87.7 | Confident | 130 Ų | 130 | 33.9 Ų | 33.9 | 57% | 0.565 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.3 | 178.2 | -66.7 | -176.4 | -177.2 | -179.5 | 0 | 112.7 | T113 Q117 | T113-K115 PolarHBondContact O-N 2.88Å; K115-Q117 HydrophobicContact CB-CG 4.01Å; K115-Q117 PolarHBondContact O-N 2.98Å |
| 116 | A | 79.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | trans | 51 | 38 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T113 M121 I463 L466 R467 R470 | T113-A116 PolarHBondContact O-N 2.99Å; A116-M121 HydrophobicContact CB-SD 4.26Å; A116-I463 HydrophobicContact CB-CG2 4.28Å; A116-L466 HydrophobicContact CB-CB 3.6Å; A116-L466 HydrophobicContact CB-CD1 4.12Å; A116-R467 HydrophobicContact CB-CG 4.39Å; A116-R470 PolarHBondContact O-NH1 3.35Å | ||
| 117 | Q | 71.4 | Confident | 87.8 | Confident | 95 Ų | 95 | 33.5 Ų | 33.5 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | trans | -76.6 | 126.9 | 176.5 | -69.3 | 175.5 | -48.6 | 0 | 0 | 109.9 | K115 A119 N120 M121 | K115-Q117 HydrophobicContact CB-CG 4.01Å; K115-Q117 PolarHBondContact O-N 2.98Å; Q117-A119 PolarHBondContact O-N 3.34Å; Q117-A119 VanDerWaalsContact O-N 3.12Å; Q117-N120 PolarHBondContact O-N 3.13Å; Q117-M121 WeakPolarHBondContact O-CG 3.33Å | ||
| 118 | E | 74.1 | Confident | 87.7 | Confident | 114 Ų | 114 | 34.8 Ų | 34.8 | 53% | 0.533 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -49.5 | -39.8 | -174.4 | 175.5 | 169.2 | -170.6 | 0 | 0 | 114 | N120 M121 R470 Q474 | E118-N120 PolarHBondContact O-N 3.49Å; E118-M121 PolarHBondContact O-N 3.27Å; E118-R470 IonicContact OE2-CZ 2.66Å; E118-R470 IonicContact OE2-NE 3.41Å; E118-R470 IonicContact OE2-NH2 3.61Å; E118-R470 PolarHBondContact OE2-NH2 2.59Å; E118-Q474 PolarHBondContact OE2-NE2 3.46Å |
| 119 | A | 72.8 | Confident | 87.6 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -58.7 | -16.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | R95 Q117 | R95-A119 PolarHBondContact NH1-O 2.97Å; Q117-A119 PolarHBondContact O-N 3.34Å; Q117-A119 VanDerWaalsContact O-N 3.12Å |
| 120 | N | 83 | Confident | 87.6 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -115.2 | -1.1 | 179.9 | -62.3 | -51.4 | 0 | 0 | 0 | 113.3 | R95 H112 T113 Q117 E118 L124 | R95-N120 PolarHBondContact NH1-OD1 3.28Å; H112-N120 WeakPolarHBondContact CB-ND2 3.4Å; H112-N120 PolarHBondContact O-ND2 3.33Å; T113-N120 HydrophobicContact CG2-CB 4.2Å; Q117-N120 PolarHBondContact O-N 3.13Å; E118-N120 PolarHBondContact O-N 3.49Å; N120-L124 PolarHBondContact O-N 2.89Å |
| 121 | M | 89.7 | Confident | 87.7 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77 | -38.9 | -172.6 | -66.6 | -58 | 91.7 | 0 | 0 | 112.9 | T113 A116 Q117 E118 L123 L124 D125 R467 | T113-M121 HydrophobicContact CG2-CE 4.48Å; A116-M121 HydrophobicContact CB-SD 4.26Å; Q117-M121 WeakPolarHBondContact O-CG 3.33Å; E118-M121 PolarHBondContact O-N 3.27Å; M121-L123 VanDerWaalsContact C-N 3.28Å; M121-L123 PolarHBondContact O-N 3.37Å; M121-L124 HydrophobicContact CE-CD2 4.31Å; M121-L124 PolarHBondContact O-N 3.15Å; M121-L124 HydrophobicContact SD-CD2 4.45Å; M121-D125 PolarHBondContact O-N 3.42Å; M121-R467 PolarHBondContact O-NH2 3.1Å; M121-R467 HydrophobicContact SD-CG 4.02Å; M121-R467 PolarHBondContact SD-NE 3.46Å; M121-R467 PolarHBondContact SD-NH2 3.36Å; M121-R467 VanDerWaalsContact SD-NH2 3.38Å |
| 122 | S | 89.9 | Confident | 88 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.4 | -44 | 173.8 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | E98 L124 D125 E126 | E98-S122 VanDerWaalsContact OE1-CB 3.23Å; E98-S122 WeakPolarHBondContact OE1-CB 3.34Å; E98-S122 PolarHBondContact OE1-OG 2.91Å; S122-L124 PolarHBondContact O-N 3.28Å; S122-D125 PolarHBondContact O-N 2.86Å; S122-E126 WeakPolarHBondContact O-CB 3.48Å; S122-E126 PolarHBondContact O-N 3.27Å |
| 123 | L | 92.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.3 | 177.1 | 70.9 | 0 | 0 | 0 | 112 | R95 E98 L101 F109 M121 D125 E126 I127 | R95-L123 HydrophobicContact CB-CD2 3.65Å; R95-L123 HydrophobicContact CG-CD2 4.41Å; E98-L123 HydrophobicContact CG-CB 4.43Å; E98-L123 HydrophobicContact CG-CD1 4.14Å; E98-L123 PolarHBondContact OE1-N 3.48Å; L101-L123 HydrophobicContact CD1-CD1 3.88Å; F109-L123 HydrophobicContact CE2-CD2 4.01Å; F109-L123 HydrophobicContact CZ-CD2 4.17Å; M121-L123 VanDerWaalsContact C-N 3.28Å; M121-L123 PolarHBondContact O-N 3.37Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-E126 PolarHBondContact O-N 3.17Å; L123-I127 HydrophobicContact CD1-CD1 4.24Å; L123-I127 HydrophobicContact CD2-CD1 4.47Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 WeakPolarHBondContact O-CB 3.1Å; L123-I127 VanDerWaalsContact O-CG1 3.24Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 2.79Å |
| 124 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 179.3 | 176.5 | 58.8 | 0 | 0 | 0 | 111.1 | T113 N120 M121 S122 E126 I127 L128 A451 L456 I463 R467 | T113-L124 HydrophobicContact CG2-CB 3.97Å; N120-L124 PolarHBondContact O-N 2.89Å; M121-L124 HydrophobicContact CE-CD2 4.31Å; M121-L124 PolarHBondContact O-N 3.15Å; M121-L124 HydrophobicContact SD-CD2 4.45Å; S122-L124 PolarHBondContact O-N 3.28Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.95Å; L124-I127 WeakPolarHBondContact O-CB 3.42Å; L124-I127 PolarHBondContact O-N 3.01Å; L124-L128 HydrophobicContact CD1-CD1 4.46Å; L124-L128 HydrophobicContact CD1-CG 4.32Å; L124-L128 HydrophobicContact CG-CD1 4.3Å; L124-L128 VanDerWaalsContact O-CG 3.29Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.31Å; L124-A451 HydrophobicContact CD1-CB 4.33Å; L124-L456 HydrophobicContact CD1-CD2 4.24Å; L124-L456 HydrophobicContact CD2-CD2 4.22Å; L124-I463 HydrophobicContact CD2-CG2 3.96Å; L124-R467 VanDerWaalsContact CD2-NH2 3.32Å |
| 125 | D | 93 | Very high | 89.6 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.3 | -61.6 | -21.9 | 0 | 0 | 0 | 111.1 | M121 S122 L123 I127 L128 R129 R467 | M121-D125 PolarHBondContact O-N 3.42Å; S122-D125 PolarHBondContact O-N 2.86Å; L123-D125 VanDerWaalsContact C-N 3.31Å; D125-I127 VanDerWaalsContact C-N 3.35Å; D125-L128 PolarHBondContact O-N 2.98Å; D125-R129 VanDerWaalsContact O-CB 3.27Å; D125-R129 WeakPolarHBondContact O-CB 3.32Å; D125-R129 PolarHBondContact O-N 3.04Å; D125-R467 IonicContact OD1-CZ 3.03Å; D125-R467 IonicContact OD1-NH1 3.97Å; D125-R467 PolarHBondContact OD1-NH1 2.68Å; D125-R467 IonicContact OD1-NH2 3.81Å; D125-R467 PolarHBondContact OD1-NH2 3.21Å |
| 126 | E | 95.1 | Very high | 90.4 | Very high | 35 Ų | 35 | 37 Ų | 37 | 16% | 0.164 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.1 | -171.1 | 60.7 | -167.5 | 0 | 0 | 112 | E98 L101 S122 L123 L124 R129 Q130 | E98-E126 HydrophobicContact CB-CG 4.48Å; L101-E126 HydrophobicContact CD1-CB 3.99Å; L101-E126 HydrophobicContact CD1-CG 3.56Å; S122-E126 WeakPolarHBondContact O-CB 3.48Å; S122-E126 PolarHBondContact O-N 3.27Å; L123-E126 PolarHBondContact O-N 3.17Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.95Å; E126-R129 PolarHBondContact O-N 3.08Å; E126-R129 IonicContact OE1-CZ 3.4Å; E126-R129 IonicContact OE1-NE 2.74Å; E126-R129 PolarHBondContact OE1-NE 3.22Å; E126-R129 IonicContact OE1-NH2 3.63Å; E126-R129 PolarHBondContact OE1-NH2 3.18Å; E126-R129 IonicContact OE2-CZ 3.58Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 2.85Å; E126-R129 IonicContact OE2-NH2 2.72Å; E126-R129 PolarHBondContact OE2-NH2 3.45Å; E126-Q130 HydrophobicContact CG-CG 4.37Å; E126-Q130 VanDerWaalsContact O-CB 3.23Å; E126-Q130 WeakPolarHBondContact O-CB 2.88Å; E126-Q130 VanDerWaalsContact O-CG 3.3Å; E126-Q130 WeakPolarHBondContact O-CG 3.31Å; E126-Q130 PolarHBondContact O-N 3.41Å; E126-Q130 WeakPolarHBondContact OE1-CG 3.49Å; E126-Q130 PolarHBondContact OE1-NE2 2.73Å |
| 127 | I | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.5 | -76.7 | 170.5 | 0 | 0 | 0 | 111.4 | L101 F109 L123 L124 D125 E131 I132 L134 A451 | L101-I127 HydrophobicContact CD1-CG1 4.03Å; F109-I127 HydrophobicContact CZ-CD1 4.08Å; L123-I127 HydrophobicContact CD1-CD1 4.24Å; L123-I127 HydrophobicContact CD2-CD1 4.47Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 WeakPolarHBondContact O-CB 3.1Å; L123-I127 VanDerWaalsContact O-CG1 3.24Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 2.79Å; L124-I127 WeakPolarHBondContact O-CB 3.42Å; L124-I127 PolarHBondContact O-N 3.01Å; D125-I127 VanDerWaalsContact C-N 3.35Å; I127-E131 PolarHBondContact O-N 3.07Å; I127-I132 HydrophobicContact CB-CB 4.41Å; I127-I132 HydrophobicContact CG1-CG2 4.39Å; I127-I132 HydrophobicContact CG2-CB 3.99Å; I127-I132 HydrophobicContact CG2-CG2 4.09Å; I127-I132 PolarHBondContact O-N 3.09Å; I127-L134 HydrophobicContact CD1-CB 4.43Å; I127-L134 HydrophobicContact CD1-CD1 4.07Å; I127-L134 HydrophobicContact CD1-CD2 3.77Å; I127-L134 HydrophobicContact CD1-CG 4.29Å; I127-L134 HydrophobicContact CG2-CB 3.91Å; I127-L134 HydrophobicContact CG2-CD2 4.45Å; I127-A451 HydrophobicContact CG2-CB 3.99Å |
| 128 | L | 95.5 | Very high | 92 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 176 | -67.3 | 169.1 | 0 | 0 | 0 | 110.5 | L124 D125 Q130 E131 A451 G454 L456 | L124-L128 HydrophobicContact CD1-CD1 4.46Å; L124-L128 HydrophobicContact CD1-CG 4.32Å; L124-L128 HydrophobicContact CG-CD1 4.3Å; L124-L128 VanDerWaalsContact O-CG 3.29Å; L124-L128 WeakPolarHBondContact O-CG 3.45Å; L124-L128 PolarHBondContact O-N 3.31Å; D125-L128 PolarHBondContact O-N 2.98Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 3.28Å; L128-E131 PolarHBondContact O-N 3.12Å; L128-A451 HydrophobicContact CD2-CB 3.81Å; L128-G454 WeakPolarHBondContact O-CA 3.48Å; L128-L456 HydrophobicContact CD2-CG 4.49Å |
| 129 | R | 96.1 | Very high | 92.9 | Very high | 169 Ų | 169 | 31.9 Ų | 31.9 | 64% | 0.638 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -59.3 | -40.4 | -179.9 | -170.1 | -172.8 | 74.3 | 79.3 | -7.7 | 112.7 | D125 E126 E131 | D125-R129 VanDerWaalsContact O-CB 3.27Å; D125-R129 WeakPolarHBondContact O-CB 3.32Å; D125-R129 PolarHBondContact O-N 3.04Å; E126-R129 PolarHBondContact O-N 3.08Å; E126-R129 IonicContact OE1-CZ 3.4Å; E126-R129 IonicContact OE1-NE 2.74Å; E126-R129 PolarHBondContact OE1-NE 3.22Å; E126-R129 IonicContact OE1-NH2 3.63Å; E126-R129 PolarHBondContact OE1-NH2 3.18Å; E126-R129 IonicContact OE2-CZ 3.58Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 2.85Å; E126-R129 IonicContact OE2-NH2 2.72Å; E126-R129 PolarHBondContact OE2-NH2 3.45Å; R129-E131 PolarHBondContact O-N 3.37Å |
| 130 | Q | 95.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.5 | 178.9 | -69.2 | -159.8 | 29.2 | 0 | 0 | 113.5 | L101 I102 P103 K104 E126 L128 I132 | L101-Q130 VanDerWaalsContact CB-NE2 3.34Å; L101-Q130 PolarHBondContact O-OE1 2.7Å; I102-Q130 VanDerWaalsContact C-OE1 3.26Å; P103-Q130 CarbonylContact C-O 3.53Å; P103-Q130 VanDerWaalsContact CA-O 3.29Å; P103-Q130 WeakPolarHBondContact CA-O 3.29Å; P103-Q130 HydrophobicContact CB-CB 4.18Å; P103-Q130 WeakPolarHBondContact CB-O 3.2Å; P103-Q130 HydrophobicContact CG-CB 4.27Å; P103-Q130 HydrophobicContact CG-CG 4.2Å; P103-Q130 VanDerWaalsContact N-OE1 3.11Å; K104-Q130 PolarHBondContact N-O 2.78Å; E126-Q130 HydrophobicContact CG-CG 4.37Å; E126-Q130 VanDerWaalsContact O-CB 3.23Å; E126-Q130 WeakPolarHBondContact O-CB 2.88Å; E126-Q130 VanDerWaalsContact O-CG 3.3Å; E126-Q130 WeakPolarHBondContact O-CG 3.31Å; E126-Q130 PolarHBondContact O-N 3.41Å; E126-Q130 WeakPolarHBondContact OE1-CG 3.49Å; E126-Q130 PolarHBondContact OE1-NE2 2.73Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 3.28Å; Q130-I132 HydrophobicContact CB-CD1 3.84Å; Q130-I132 HydrophobicContact CB-CG1 3.9Å; Q130-I132 PolarHBondContact O-N 3.49Å |
| 131 | E | 96.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 29.5 Ų | 29.5 | 34% | 0.336 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 37.2 | -177.6 | -58.9 | 170.9 | -127.3 | 0 | 0 | 112.6 | K104 I127 L128 R129 | K104-E131 WeakPolarHBondContact CE-OE1 3.25Å; K104-E131 WeakPolarHBondContact CE-OE2 3.44Å; K104-E131 HydrophobicContact CG-CB 4.05Å; K104-E131 IonicContact NZ-OE1 3.79Å; K104-E131 PolarHBondContact NZ-OE1 2.95Å; K104-E131 IonicContact NZ-OE2 3.51Å; K104-E131 PolarHBondContact NZ-OE2 3.48Å; I127-E131 PolarHBondContact O-N 3.07Å; L128-E131 PolarHBondContact O-N 3.12Å; R129-E131 PolarHBondContact O-N 3.37Å |
| 132 | I | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -78.9 | 137.9 | -179.7 | -72 | 172.8 | 0 | 0 | 0 | 110 | L101 I102 Y107 I127 Q130 L134 | L101-I132 HydrophobicContact CB-CD1 3.86Å; L101-I132 HydrophobicContact CD1-CD1 4.32Å; L101-I132 HydrophobicContact CD2-CD1 3.83Å; L101-I132 HydrophobicContact CG-CD1 4.22Å; I102-I132 WeakPolarHBondContact O-CD1 3.42Å; Y107-I132 HydrophobicContact CD2-CD1 4.19Å; Y107-I132 HydrophobicContact CD2-CG1 4.44Å; Y107-I132 HydrophobicContact CD2-CG2 3.54Å; Y107-I132 HydrophobicContact CE2-CD1 3.97Å; Y107-I132 HydrophobicContact CE2-CG1 4.48Å; Y107-I132 HydrophobicContact CE2-CG2 4.36Å; Y107-I132 HydrophobicContact CG-CG2 4.12Å; I127-I132 HydrophobicContact CB-CB 4.41Å; I127-I132 HydrophobicContact CG1-CG2 4.39Å; I127-I132 HydrophobicContact CG2-CB 3.99Å; I127-I132 HydrophobicContact CG2-CG2 4.09Å; I127-I132 PolarHBondContact O-N 3.09Å; Q130-I132 HydrophobicContact CB-CD1 3.84Å; Q130-I132 HydrophobicContact CB-CG1 3.9Å; Q130-I132 PolarHBondContact O-N 3.49Å; I132-L134 PolarHBondContact O-N 3.42Å | ||
| 133 | R | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 109.7 | 167.6 | 179.1 | 172.9 | -69.5 | 142.5 | 6.9 | 109.4 | K105 N106 Y107 S430 E431 E434 V449 A451 S452 | K105-R133 PolarHBondContact O-N 3.1Å; N106-R133 WeakPolarHBondContact CA-O 3.46Å; N106-R133 WeakPolarHBondContact OD1-CB 3.5Å; Y107-R133 PolarHBondContact N-O 2.99Å; R133-S430 PolarHBondContact NH1-OG 2.91Å; R133-E431 PolarHBondContact NH1-O 2.68Å; R133-E434 PolarHBondContact NH2-O 3.11Å; R133-V449 HydrophobicContact CG-CG1 3.89Å; R133-A451 CarbonylContact C-O 3.55Å; R133-A451 VanDerWaalsContact CA-O 3.3Å; R133-A451 WeakPolarHBondContact CA-O 3.47Å; R133-S452 PolarHBondContact NE-OG 3.28Å; R133-S452 PolarHBondContact NH2-OG 3.34Å |
| 134 | L | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.4 | -178.8 | 176.5 | 63.9 | 0 | 0 | 0 | 111.1 | F109 I127 I132 V449 I450 A451 | F109-L134 HydrophobicContact CD1-CD1 4.21Å; F109-L134 HydrophobicContact CE1-CD1 3.59Å; F109-L134 HydrophobicContact CE2-CD1 4.06Å; F109-L134 HydrophobicContact CZ-CD1 3.5Å; I127-L134 HydrophobicContact CD1-CB 4.43Å; I127-L134 HydrophobicContact CD1-CD1 4.07Å; I127-L134 HydrophobicContact CD1-CD2 3.77Å; I127-L134 HydrophobicContact CD1-CG 4.29Å; I127-L134 HydrophobicContact CG2-CB 3.91Å; I127-L134 HydrophobicContact CG2-CD2 4.45Å; I132-L134 PolarHBondContact O-N 3.42Å; L134-V449 CarbonylContact O-C 3.53Å; L134-V449 VanDerWaalsContact O-CA 3.31Å; L134-V449 WeakPolarHBondContact O-CA 3.07Å; L134-I450 HydrophobicContact CD2-CB 4.05Å; L134-I450 HydrophobicContact CD2-CG1 4.3Å; L134-I450 HydrophobicContact CD2-CG2 4.46Å; L134-I450 HydrophobicContact CG-CB 4.33Å; L134-I450 HydrophobicContact CG-CG1 4.44Å; L134-I450 PolarHBondContact O-N 2.78Å; L134-A451 HydrophobicContact CB-CB 4.34Å; L134-A451 PolarHBondContact N-O 3.07Å |
| 135 | I | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.3 | 171.9 | -59.2 | 155.1 | 0 | 0 | 0 | 108.2 | Y107 A108 F109 M427 V445 A448 V449 | Y107-I135 PolarHBondContact O-N 3.04Å; A108-I135 VanDerWaalsContact CA-O 3.32Å; A108-I135 WeakPolarHBondContact CA-O 3.2Å; A108-I135 HydrophobicContact CB-CB 3.98Å; A108-I135 HydrophobicContact CB-CD1 4.45Å; A108-I135 HydrophobicContact CB-CG2 4.34Å; F109-I135 PolarHBondContact N-O 3.23Å; I135-M427 HydrophobicContact CD1-CB 4.15Å; I135-M427 HydrophobicContact CD1-CG 3.78Å; I135-M427 HydrophobicContact CD1-SD 4.06Å; I135-M427 HydrophobicContact CG2-CE 3.98Å; I135-M427 HydrophobicContact CG2-SD 4.39Å; I135-V445 HydrophobicContact CD1-CG1 4.49Å; I135-A448 HydrophobicContact CG2-CB 4.11Å; I135-V449 HydrophobicContact CG1-CG2 4.04Å |
| 136 | D | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.9 | 177.6 | -164 | -28.4 | 0 | 0 | 0 | 111.4 | S111 H112 E138 K139 A448 I450 | S111-D136 WeakPolarHBondContact CB-OD2 3.3Å; S111-D136 PolarHBondContact N-OD2 2.94Å; S111-D136 PolarHBondContact OG-OD2 3.34Å; H112-D136 PolarHBondContact N-OD2 2.84Å; D136-E138 PolarHBondContact O-N 3.21Å; D136-E138 VanDerWaalsContact O-N 3.11Å; D136-E138 VanDerWaalsContact OD1-CB 3.3Å; D136-E138 WeakPolarHBondContact OD1-CB 3.41Å; D136-E138 PolarHBondContact OD1-N 2.95Å; D136-K139 PolarHBondContact O-N 3.33Å; D136-A448 PolarHBondContact N-O 3.39Å; D136-I450 HydrophobicContact CB-CD1 3.92Å; D136-I450 HydrophobicContact CB-CG1 3.66Å |
| 137 | Y | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -56.2 | -26.7 | 176.3 | -62 | -34.3 | 0 | 0 | 0 | 113.5 | G92 A108 F109 F110 K139 M140 F416 L420 | G92-Y137 VanDerWaalsContact O-CE2 3.26Å; G92-Y137 WeakPolarHBondContact O-CE2 3.29Å; A108-Y137 HydrophobicContact CB-CD1 4.45Å; A108-Y137 HydrophobicContact CB-CE1 3.56Å; A108-Y137 PolarHBondContact O-OH 2.93Å; A108-Y137 VanDerWaalsContact O-OH 3.05Å; F109-Y137 VanDerWaalsContact CA-CE2 3.44Å; F110-Y137 AromaticContact CD2-CD2 3.94Å; F110-Y137 HydrophobicContact CD2-CD2 3.94Å; F110-Y137 HydrophobicContact CE1-CD2 4.36Å; F110-Y137 HydrophobicContact CE1-CG 4.33Å; F110-Y137 AromaticContact CE2-CD2 3.76Å; F110-Y137 HydrophobicContact CE2-CD2 3.76Å; F110-Y137 HydrophobicContact CE2-CG 4.42Å; F110-Y137 HydrophobicContact CG-CD2 4.31Å; F110-Y137 VanDerWaalsContact CZ-CB 3.43Å; F110-Y137 AromaticContact CZ-CD2 3.99Å; F110-Y137 HydrophobicContact CZ-CD2 3.99Å; F110-Y137 HydrophobicContact CZ-CG 4.19Å; Y137-K139 PolarHBondContact O-N 2.85Å; Y137-M140 HydrophobicContact CD1-SD 3.88Å; Y137-M140 PolarHBondContact O-N 2.62Å; Y137-F416 HydrophobicContact CD2-CE1 4.3Å; Y137-F416 HydrophobicContact CD2-CE2 4.42Å; Y137-F416 AromaticContact CD2-CZ 3.5Å; Y137-F416 HydrophobicContact CD2-CZ 3.5Å; Y137-F416 AromaticContact CE2-CE1 3.91Å; Y137-F416 HydrophobicContact CE2-CE1 3.91Å; Y137-F416 AromaticContact CE2-CZ 3.59Å; Y137-F416 HydrophobicContact CE2-CZ 3.59Å; Y137-F416 HydrophobicContact CG-CZ 4.01Å; Y137-L420 HydrophobicContact CD1-CD1 4.02Å; Y137-L420 HydrophobicContact CE1-CD1 3.58Å; Y137-L420 HydrophobicContact CE1-CD2 3.76Å; Y137-L420 HydrophobicContact CE1-CG 4.35Å; Y137-L420 WeakPolarHBondContact OH-CD2 3.3Å |
| 138 | E | 89.9 | Confident | 91.1 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64.8 | -25.7 | 177.3 | -170.9 | 170.2 | 163 | 0 | 0 | 112.3 | F110 H112 I114 D136 | F110-E138 HydrophobicContact CD1-CB 4.22Å; F110-E138 HydrophobicContact CE1-CB 4.35Å; H112-E138 IonicContact CE1-OE2 2.85Å; H112-E138 IonicContact ND1-OE2 3.51Å; H112-E138 PolarHBondContact ND1-OE2 2.82Å; I114-E138 HydrophobicContact CD1-CG 4.25Å; D136-E138 PolarHBondContact O-N 3.21Å; D136-E138 VanDerWaalsContact O-N 3.11Å; D136-E138 VanDerWaalsContact OD1-CB 3.3Å; D136-E138 WeakPolarHBondContact OD1-CB 3.41Å; D136-E138 PolarHBondContact OD1-N 2.95Å |
| 139 | K | 92.7 | Very high | 90.6 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 27% | 0.274 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -103.3 | 4.7 | -177 | -67.2 | -58 | -162.9 | -159 | 0 | 114.5 | I114 D136 Y137 V141 A448 I450 Y460 | I114-K139 HydrophobicContact CD1-CD 4.18Å; I114-K139 HydrophobicContact CD1-CG 4.47Å; I114-K139 HydrophobicContact CG2-CG 3.96Å; D136-K139 PolarHBondContact O-N 3.33Å; Y137-K139 PolarHBondContact O-N 2.85Å; K139-V141 PolarHBondContact O-N 2.79Å; K139-A448 HydrophobicContact CB-CB 4.23Å; K139-I450 HydrophobicContact CG-CD1 4.21Å; K139-Y460 VanDerWaalsContact CB-OH 3.23Å; K139-Y460 WeakPolarHBondContact CB-OH 3.36Å; K139-Y460 HydrophobicContact CD-CE1 4.46Å; K139-Y460 HydrophobicContact CG-CE1 4.11Å; K139-Y460 VanDerWaalsContact CG-OH 3.23Å; K139-Y460 WeakPolarHBondContact CG-OH 3.44Å |
| 140 | M | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -73.9 | 97.1 | 167.6 | -65.2 | -176.4 | 68.6 | 0 | 0 | 109.6 | Y137 R147 V148 V149 L420 Y423 M427 V444 V445 A448 | Y137-M140 HydrophobicContact CD1-SD 3.88Å; Y137-M140 PolarHBondContact O-N 2.62Å; M140-R147 WeakPolarHBondContact O-CA 3.28Å; M140-V148 HydrophobicContact CB-CG2 3.63Å; M140-V148 HydrophobicContact CE-CG2 4.37Å; M140-V148 VanDerWaalsContact O-CG2 3.25Å; M140-V148 WeakPolarHBondContact O-CG2 3.25Å; M140-V148 PolarHBondContact O-N 3.11Å; M140-V149 HydrophobicContact CE-CG2 4.08Å; M140-V149 HydrophobicContact SD-CG2 4.12Å; M140-L420 HydrophobicContact CE-CD1 4.26Å; M140-L420 HydrophobicContact SD-CD1 4.1Å; M140-Y423 HydrophobicContact CE-CD1 4.2Å; M140-Y423 HydrophobicContact CE-CD2 3.46Å; M140-Y423 VanDerWaalsContact CE-CD2 3.46Å; M140-Y423 HydrophobicContact CE-CE2 4.09Å; M140-Y423 HydrophobicContact CE-CG 3.52Å; M140-M427 HydrophobicContact CE-CE 3.62Å; M140-M427 HydrophobicContact SD-CE 3.73Å; M140-V444 HydrophobicContact CB-CG1 3.94Å; M140-V444 HydrophobicContact CE-CG1 4.08Å; M140-V444 HydrophobicContact CG-CG1 4.49Å; M140-V445 HydrophobicContact CE-CG2 3.98Å; M140-A448 HydrophobicContact CG-CB 3.62Å | ||
| 141 | V | 90.1 | Very high | 89.6 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -123 | 146.4 | -179.7 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | K139 M146 | K139-V141 PolarHBondContact O-N 2.79Å; V141-M146 CarbonylContact C-O 3.55Å; V141-M146 VanDerWaalsContact CA-O 3.29Å; V141-M146 WeakPolarHBondContact CA-O 3.34Å |
| 142 | D | 87.9 | Confident | 89 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | trans | -78.9 | -179.5 | 174.4 | 74.5 | 8.3 | 0 | 0 | 0 | 112.4 | K144 G145 M146 V148 | D142-K144 PolarHBondContact O-N 3.06Å; D142-K144 VanDerWaalsContact O-N 3.09Å; D142-K144 WeakPolarHBondContact OD1-CA 3.45Å; D142-K144 WeakPolarHBondContact OD1-CB 3.29Å; D142-K144 PolarHBondContact OD1-N 3.47Å; D142-G145 PolarHBondContact O-N 2.87Å; D142-G145 PolarHBondContact OD1-N 3.18Å; D142-M146 PolarHBondContact N-O 3.16Å; D142-M146 WeakPolarHBondContact OD1-CB 3.27Å; D142-M146 PolarHBondContact OD1-N 3.12Å; D142-V148 HydrophobicContact CB-CG1 3.87Å | ||
| 143 | H | 85.4 | Confident | 88.8 | Confident | 163 Ų | 163 | 43.9 Ų | 43.9 | 76% | 0.755 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.6 | 178.8 | 64.6 | -81.1 | 0 | 0 | 0 | 114.5 | ||
| 144 | K | 79.6 | Confident | 88.7 | Confident | 159 Ų | 159 | 45.1 Ų | 45.1 | 69% | 0.691 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 3.5 | 174.8 | -59 | -177.8 | 179.4 | 177.4 | 0 | 112.1 | D142 M146 | D142-K144 PolarHBondContact O-N 3.06Å; D142-K144 VanDerWaalsContact O-N 3.09Å; D142-K144 WeakPolarHBondContact OD1-CA 3.45Å; D142-K144 WeakPolarHBondContact OD1-CB 3.29Å; D142-K144 PolarHBondContact OD1-N 3.47Å; K144-M146 VanDerWaalsContact C-N 3.26Å; K144-M146 HydrophobicContact CB-CG 4.33Å; K144-M146 PolarHBondContact O-N 2.94Å |
| 145 | G | 77.1 | Confident | 88.5 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 55% | 0.546 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 76.9 | 9.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D142 | D142-G145 PolarHBondContact O-N 2.87Å; D142-G145 PolarHBondContact OD1-N 3.18Å |
| 146 | M | 79.7 | Confident | 88.5 | Confident | 123 Ų | 123 | 45.8 Ų | 45.8 | 61% | 0.606 | 24% | 0.235 | S | C | * | . | trans | -83.4 | 130.7 | 179.3 | -67.3 | -66.3 | -61.5 | 0 | 0 | 110.1 | V141 D142 K144 V148 | V141-M146 CarbonylContact C-O 3.55Å; V141-M146 VanDerWaalsContact CA-O 3.29Å; V141-M146 WeakPolarHBondContact CA-O 3.34Å; D142-M146 PolarHBondContact N-O 3.16Å; D142-M146 WeakPolarHBondContact OD1-CB 3.27Å; D142-M146 PolarHBondContact OD1-N 3.12Å; K144-M146 VanDerWaalsContact C-N 3.26Å; K144-M146 HydrophobicContact CB-CG 4.33Å; K144-M146 PolarHBondContact O-N 2.94Å; M146-V148 PolarHBondContact O-N 3.42Å | ||
| 147 | R | 85 | Confident | 88.5 | Confident | 102 Ų | 102 | 46 Ų | 46 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -64.8 | 126.4 | 177.1 | -174.9 | 169.1 | 166.5 | -168.8 | -10.4 | 111 | M140 V149 A150 | M140-R147 WeakPolarHBondContact O-CA 3.28Å; R147-V149 PolarHBondContact NE-O 3.06Å; R147-V149 PolarHBondContact NH2-O 3.49Å; R147-A150 HydrophobicContact CG-CB 4.35Å |
| 148 | V | 88.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -89.1 | -24.4 | -176.2 | -66 | 0 | 0 | 0 | 0 | 113.3 | M140 D142 M146 M419 Y423 V444 | M140-V148 HydrophobicContact CB-CG2 3.63Å; M140-V148 HydrophobicContact CE-CG2 4.37Å; M140-V148 VanDerWaalsContact O-CG2 3.25Å; M140-V148 WeakPolarHBondContact O-CG2 3.25Å; M140-V148 PolarHBondContact O-N 3.11Å; D142-V148 HydrophobicContact CB-CG1 3.87Å; M146-V148 PolarHBondContact O-N 3.42Å; V148-M419 WeakPolarHBondContact O-CB 2.83Å; V148-Y423 HydrophobicContact CB-CE2 4.42Å; V148-Y423 HydrophobicContact CG2-CE2 3.99Å; V148-V444 HydrophobicContact CG2-CG1 3.59Å |
| 149 | V | 86.3 | Confident | 89 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -126.1 | 106.1 | -176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | M140 R147 F416 M419 L420 | M140-V149 HydrophobicContact CE-CG2 4.08Å; M140-V149 HydrophobicContact SD-CG2 4.12Å; R147-V149 PolarHBondContact NE-O 3.06Å; R147-V149 PolarHBondContact NH2-O 3.49Å; V149-F416 HydrophobicContact CG1-CD2 3.85Å; V149-F416 HydrophobicContact CG1-CE1 4.2Å; V149-F416 HydrophobicContact CG1-CE2 3.14Å; V149-F416 HydrophobicContact CG1-CZ 3.33Å; V149-M419 HydrophobicContact CG2-CB 4.21Å; V149-L420 HydrophobicContact CG1-CB 4.41Å; V149-L420 HydrophobicContact CG2-CB 4.32Å; V149-L420 HydrophobicContact CG2-CD1 4.34Å |
| 150 | A | 85.1 | Confident | 89.2 | Confident | 18 Ų | 18 | 41 Ų | 41 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | trans | -155 | 149.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R147 G152 M419 | R147-A150 HydrophobicContact CG-CB 4.35Å; A150-G152 VanDerWaalsContact C-N 3.29Å; A150-G152 PolarHBondContact O-N 3.49Å; A150-M419 WeakPolarHBondContact O-CE 3.35Å | ||
| 151 | F | 84.6 | Confident | 89.4 | Confident | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | trans | -85 | 8.3 | 176.9 | -67.5 | -77.3 | 0 | 0 | 0 | 115.1 | V93 F110 K153 W154 A155 P405 A412 F416 | V93-F151 HydrophobicContact CG1-CE2 3.68Å; V93-F151 HydrophobicContact CG1-CZ 3.68Å; V93-F151 HydrophobicContact CG2-CZ 4.3Å; F110-F151 HydrophobicContact CD2-CE2 4.21Å; F110-F151 AromaticContact CE2-CD2 3.99Å; F110-F151 HydrophobicContact CE2-CD2 3.99Å; F110-F151 AromaticContact CE2-CE2 3.55Å; F110-F151 HydrophobicContact CE2-CE2 3.55Å; F110-F151 HydrophobicContact CZ-CE2 4.48Å; F151-K153 VanDerWaalsContact C-N 3.28Å; F151-K153 PolarHBondContact O-N 3.03Å; F151-K153 VanDerWaalsContact O-N 3.08Å; F151-W154 PolarHBondContact O-N 3.02Å; F151-A155 PolarHBondContact O-N 3.15Å; F151-A155 VanDerWaalsContact O-N 3.12Å; F151-P405 HydrophobicContact CB-CB 3.96Å; F151-P405 HydrophobicContact CB-CG 3.5Å; F151-P405 HydrophobicContact CD1-CB 4.27Å; F151-P405 HydrophobicContact CG-CB 4.31Å; F151-P405 HydrophobicContact CG-CG 4.23Å; F151-A412 HydrophobicContact CD1-CB 4.09Å; F151-A412 HydrophobicContact CE1-CB 4.19Å; F151-F416 HydrophobicContact CD1-CB 4Å; F151-F416 AromaticContact CD1-CD2 3.97Å; F151-F416 HydrophobicContact CD1-CD2 3.97Å; F151-F416 HydrophobicContact CD1-CG 4.31Å; F151-F416 HydrophobicContact CD2-CD2 4.02Å; F151-F416 HydrophobicContact CD2-CE2 4.28Å; F151-F416 HydrophobicContact CE1-CB 3.4Å; F151-F416 HydrophobicContact CE1-CD1 4.49Å; F151-F416 AromaticContact CE1-CD2 3.55Å; F151-F416 HydrophobicContact CE1-CD2 3.55Å; F151-F416 HydrophobicContact CE1-CE2 4.46Å; F151-F416 AromaticContact CE1-CG 3.57Å; F151-F416 HydrophobicContact CE1-CG 3.57Å; F151-F416 AromaticContact CE2-CD2 3.61Å; F151-F416 HydrophobicContact CE2-CD2 3.61Å; F151-F416 AromaticContact CE2-CE2 3.75Å; F151-F416 HydrophobicContact CE2-CE2 3.75Å; F151-F416 HydrophobicContact CE2-CG 4.27Å; F151-F416 HydrophobicContact CG-CD2 4.19Å; F151-F416 HydrophobicContact CZ-CB 3.92Å; F151-F416 HydrophobicContact CZ-CD1 4.17Å; F151-F416 AromaticContact CZ-CD2 3.34Å; F151-F416 HydrophobicContact CZ-CD2 3.34Å; F151-F416 AromaticContact CZ-CE2 3.84Å; F151-F416 HydrophobicContact CZ-CE2 3.84Å; F151-F416 AromaticContact CZ-CG 3.53Å; F151-F416 HydrophobicContact CZ-CG 3.53Å; F151-F416 HydrophobicContact CZ-CZ 4.46Å | ||
| 152 | G | 84.3 | Confident | 89.8 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -51.8 | -41.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A150 W154 A155 G156 V228 | A150-G152 VanDerWaalsContact C-N 3.29Å; A150-G152 PolarHBondContact O-N 3.49Å; G152-W154 PolarHBondContact O-N 3.09Å; G152-A155 WeakPolarHBondContact O-CB 3.49Å; G152-A155 PolarHBondContact O-N 2.84Å; G152-G156 PolarHBondContact O-N 3.25Å; G152-V228 VanDerWaalsContact O-CA 3.27Å; G152-V228 WeakPolarHBondContact O-CA 2.97Å; G152-V228 WeakPolarHBondContact O-CG2 3.34Å |
| 153 | K | 92.1 | Very high | 90.3 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.4 | -49.8 | 178.3 | -178.8 | 175.1 | 167.9 | 156.9 | 0 | 112.6 | F151 A155 G156 V157 N227 G231 E234 Y415 | F151-K153 VanDerWaalsContact C-N 3.28Å; F151-K153 PolarHBondContact O-N 3.03Å; F151-K153 VanDerWaalsContact O-N 3.08Å; K153-A155 VanDerWaalsContact C-N 3.35Å; K153-G156 WeakPolarHBondContact O-CA 3.39Å; K153-G156 PolarHBondContact O-N 2.97Å; K153-V157 WeakPolarHBondContact O-CG2 3.5Å; K153-V157 PolarHBondContact O-N 3.13Å; K153-N227 WeakPolarHBondContact CA-O 3.34Å; K153-N227 HydrophobicContact CB-CB 4.32Å; K153-G231 WeakPolarHBondContact O-CA 3.32Å; K153-E234 VanDerWaalsContact CE-CD 3.45Å; K153-E234 VanDerWaalsContact CE-OE1 3.24Å; K153-E234 WeakPolarHBondContact CE-OE1 3.43Å; K153-E234 WeakPolarHBondContact CE-OE2 3.36Å; K153-E234 IonicContact NZ-OE1 2.8Å; K153-E234 PolarHBondContact NZ-OE1 2.57Å; K153-E234 IonicContact NZ-OE2 3.1Å; K153-E234 PolarHBondContact NZ-OE2 3.34Å; K153-Y415 HydrophobicContact CB-CE1 3.85Å; K153-Y415 HydrophobicContact CB-CE2 4.48Å; K153-Y415 HydrophobicContact CD-CD2 4.34Å; K153-Y415 HydrophobicContact CD-CE2 3.84Å |
| 154 | W | 94.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75.5 | -23.5 | -178.1 | -73.4 | 105 | 0 | 0 | 0 | 113.4 | F151 G152 G156 V157 A158 P405 L408 E411 A412 Y415 | F151-W154 PolarHBondContact O-N 3.02Å; G152-W154 PolarHBondContact O-N 3.09Å; W154-G156 VanDerWaalsContact C-N 3.34Å; W154-V157 HydrophobicContact CE3-CB 3.97Å; W154-V157 HydrophobicContact CE3-CG1 4.05Å; W154-V157 HydrophobicContact CE3-CG2 4.18Å; W154-V157 HydrophobicContact CZ3-CB 4.25Å; W154-V157 HydrophobicContact CZ3-CG1 3.89Å; W154-V157 HydrophobicContact CZ3-CG2 4.32Å; W154-A158 WeakPolarHBondContact O-CB 3.41Å; W154-A158 PolarHBondContact O-N 2.78Å; W154-P405 HydrophobicContact CB-CB 3.95Å; W154-L408 HydrophobicContact CE3-CB 4.04Å; W154-L408 HydrophobicContact CE3-CD1 3.75Å; W154-L408 HydrophobicContact CZ3-CB 4.39Å; W154-L408 HydrophobicContact CZ3-CD1 3.82Å; W154-E411 HydrophobicContact CD2-CB 4.14Å; W154-E411 HydrophobicContact CE3-CB 4.3Å; W154-E411 HydrophobicContact CH2-CB 3.33Å; W154-E411 HydrophobicContact CH2-CG 3.77Å; W154-E411 HydrophobicContact CZ2-CB 3.11Å; W154-E411 HydrophobicContact CZ2-CG 3.97Å; W154-E411 HydrophobicContact CZ3-CB 3.93Å; W154-E411 HydrophobicContact CZ3-CG 4.45Å; W154-E411 PolarHBondContact NE1-O 3.31Å; W154-E411 VanDerWaalsContact NE1-O 3.13Å; W154-A412 HydrophobicContact CB-CB 4.25Å; W154-A412 HydrophobicContact CG-CB 4.22Å; W154-Y415 AromaticContact CD1-CD1 3.8Å; W154-Y415 AromaticContact CD1-CG 3.82Å; W154-Y415 AromaticContact NE1-CG 3.66Å |
| 155 | A | 94.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F151 G152 K153 G159 I356 L404 P405 | F151-A155 PolarHBondContact O-N 3.15Å; F151-A155 VanDerWaalsContact O-N 3.12Å; G152-A155 WeakPolarHBondContact O-CB 3.49Å; G152-A155 PolarHBondContact O-N 2.84Å; K153-A155 VanDerWaalsContact C-N 3.35Å; A155-G159 PolarHBondContact O-N 2.8Å; A155-I356 HydrophobicContact CB-CG2 3.83Å; A155-L404 HydrophobicContact CB-CB 4.2Å; A155-P405 HydrophobicContact CB-CG 3.9Å |
| 156 | G | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.8 | -51.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G152 K153 W154 G159 M160 V228 A232 | G152-G156 PolarHBondContact O-N 3.25Å; K153-G156 WeakPolarHBondContact O-CA 3.39Å; K153-G156 PolarHBondContact O-N 2.97Å; W154-G156 VanDerWaalsContact C-N 3.34Å; G156-G159 PolarHBondContact O-N 2.84Å; G156-M160 WeakPolarHBondContact O-CB 3.36Å; G156-M160 PolarHBondContact O-N 2.9Å; G156-V228 VanDerWaalsContact CA-O 3.24Å; G156-V228 WeakPolarHBondContact CA-O 3.46Å; G156-A232 WeakPolarHBondContact O-CA 3.47Å |
| 157 | V | 97.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -51.3 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | K153 W154 M160 I161 G231 M235 L408 | K153-V157 WeakPolarHBondContact O-CG2 3.5Å; K153-V157 PolarHBondContact O-N 3.13Å; W154-V157 HydrophobicContact CE3-CB 3.97Å; W154-V157 HydrophobicContact CE3-CG1 4.05Å; W154-V157 HydrophobicContact CE3-CG2 4.18Å; W154-V157 HydrophobicContact CZ3-CB 4.25Å; W154-V157 HydrophobicContact CZ3-CG1 3.89Å; W154-V157 HydrophobicContact CZ3-CG2 4.32Å; V157-M160 PolarHBondContact O-N 2.9Å; V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 2.85Å; V157-I161 VanDerWaalsContact O-N 3.07Å; V157-G231 VanDerWaalsContact CG2-O 3.32Å; V157-G231 WeakPolarHBondContact CG2-O 3.37Å; V157-M235 HydrophobicContact CG1-CE 3.75Å; V157-L408 HydrophobicContact CB-CD1 4.46Å; V157-L408 HydrophobicContact CG1-CD1 3.74Å |
| 158 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W154 I161 N162 A186 L404 L408 | W154-A158 WeakPolarHBondContact O-CB 3.41Å; W154-A158 PolarHBondContact O-N 2.78Å; A158-I161 PolarHBondContact O-N 3.48Å; A158-N162 WeakPolarHBondContact O-CB 3.45Å; A158-N162 PolarHBondContact O-N 2.76Å; A158-N162 PolarHBondContact O-OD1 2.96Å; A158-A186 HydrophobicContact CB-CB 4.08Å; A158-L404 HydrophobicContact CB-CB 4.17Å; A158-L404 HydrophobicContact CB-CD2 4.28Å; A158-L404 WeakPolarHBondContact CB-O 3.12Å; A158-L408 HydrophobicContact CB-CD1 4.33Å |
| 159 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A155 G156 N162 I163 C354 | A155-G159 PolarHBondContact O-N 2.8Å; G156-G159 PolarHBondContact O-N 2.84Å; G159-N162 PolarHBondContact O-N 2.92Å; G159-I163 PolarHBondContact O-N 3.29Å; G159-C354 PolarHBondContact O-SG 3.41Å |
| 160 | M | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.5 | -169.8 | 68 | -164.1 | 0 | 0 | 112.5 | G156 V157 N162 I163 L164 F220 F222 A232 M235 F236 I308 | G156-M160 WeakPolarHBondContact O-CB 3.36Å; G156-M160 PolarHBondContact O-N 2.9Å; V157-M160 PolarHBondContact O-N 2.9Å; M160-N162 VanDerWaalsContact C-N 3.35Å; M160-N162 PolarHBondContact O-N 3.19Å; M160-I163 WeakPolarHBondContact O-CG2 3.33Å; M160-I163 HydrophobicContact SD-CG2 4.26Å; M160-L164 HydrophobicContact CE-CD1 3.95Å; M160-L164 HydrophobicContact CE-CD2 3.84Å; M160-L164 HydrophobicContact CE-CG 3.84Å; M160-L164 HydrophobicContact CG-CD1 4.3Å; M160-L164 VanDerWaalsContact O-CG 3.26Å; M160-L164 WeakPolarHBondContact O-CG 3.43Å; M160-L164 PolarHBondContact O-N 2.94Å; M160-L164 VanDerWaalsContact O-N 3.09Å; M160-F220 HydrophobicContact CE-CD1 3.9Å; M160-F220 HydrophobicContact CE-CE1 3.97Å; M160-F222 HydrophobicContact SD-CE1 3.99Å; M160-F222 HydrophobicContact SD-CZ 4.32Å; M160-A232 HydrophobicContact CB-CB 4.03Å; M160-A232 WeakPolarHBondContact CG-O 3.41Å; M160-M235 HydrophobicContact CB-CB 4Å; M160-M235 HydrophobicContact CB-CG 4.26Å; M160-M235 HydrophobicContact CG-CB 3.84Å; M160-M235 HydrophobicContact CG-CG 3.99Å; M160-F236 HydrophobicContact CE-CB 3.88Å; M160-F236 HydrophobicContact CE-CD2 3.55Å; M160-F236 HydrophobicContact CE-CG 4.16Å; M160-F236 HydrophobicContact SD-CB 4.49Å; M160-I308 HydrophobicContact SD-CD1 4.22Å; M160-I308 HydrophobicContact SD-CG1 3.99Å |
| 161 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 175.7 | -64.7 | 160.1 | 0 | 0 | 0 | 110.2 | V157 A158 I163 L164 H165 I183 G184 A186 Y189 A195 M235 L408 | V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 2.85Å; V157-I161 VanDerWaalsContact O-N 3.07Å; A158-I161 PolarHBondContact O-N 3.48Å; I161-I163 PolarHBondContact O-N 3.44Å; I161-L164 PolarHBondContact O-N 3.28Å; I161-H165 PolarHBondContact O-N 2.74Å; I161-I183 HydrophobicContact CG2-CG2 4.37Å; I161-G184 WeakPolarHBondContact CG2-O 3.21Å; I161-A186 HydrophobicContact CB-CB 4.14Å; I161-A186 HydrophobicContact CD1-CB 4.13Å; I161-A186 HydrophobicContact CG2-CB 4.06Å; I161-Y189 HydrophobicContact CG2-CD2 4.41Å; I161-Y189 HydrophobicContact CG2-CE2 3.8Å; I161-A195 HydrophobicContact CD1-CB 3.6Å; I161-A195 HydrophobicContact CG1-CB 4.23Å; I161-M235 HydrophobicContact CD1-CE 3.71Å; I161-M235 HydrophobicContact CG1-CE 3.67Å; I161-M235 HydrophobicContact CG1-CG 3.93Å; I161-M235 HydrophobicContact CG1-SD 4.04Å; I161-L408 HydrophobicContact CD1-CD1 3.96Å |
| 162 | N | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | -177.7 | -75.8 | 8.3 | 0 | 0 | 0 | 111.7 | A158 G159 M160 L164 H165 G166 M185 A186 F377 Q407 | A158-N162 WeakPolarHBondContact O-CB 3.45Å; A158-N162 PolarHBondContact O-N 2.76Å; A158-N162 PolarHBondContact O-OD1 2.96Å; G159-N162 PolarHBondContact O-N 2.92Å; M160-N162 VanDerWaalsContact C-N 3.35Å; M160-N162 PolarHBondContact O-N 3.19Å; N162-L164 VanDerWaalsContact C-N 3.35Å; N162-L164 PolarHBondContact O-N 3.28Å; N162-H165 WeakPolarHBondContact O-CB 3.4Å; N162-H165 PolarHBondContact O-N 2.98Å; N162-G166 PolarHBondContact O-N 3.06Å; N162-M185 HydrophobicContact CB-CE 4.11Å; N162-M185 HydrophobicContact CB-SD 4.21Å; N162-M185 WeakPolarHBondContact ND2-CE 3.45Å; N162-M185 WeakPolarHBondContact OD1-CE 3.4Å; N162-A186 VanDerWaalsContact OD1-CB 3.27Å; N162-A186 WeakPolarHBondContact OD1-CB 3.24Å; N162-A186 PolarHBondContact OD1-N 2.77Å; N162-F377 WeakPolarHBondContact O-CE1 3.43Å; N162-F377 WeakPolarHBondContact O-CZ 3.49Å; N162-Q407 PolarHBondContact ND2-NE2 2.81Å; N162-Q407 PolarHBondContact ND2-OE1 3.01Å; N162-Q407 VanDerWaalsContact ND2-OE1 3.11Å; N162-Q407 PolarHBondContact OD1-OE1 2.96Å |
| 163 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.5 | -29.2 | -179.8 | -157.4 | 64.4 | 0 | 0 | 0 | 112.8 | G159 M160 I161 G166 L167 C306 I308 A352 C354 L397 C399 | G159-I163 PolarHBondContact O-N 3.29Å; M160-I163 WeakPolarHBondContact O-CG2 3.33Å; M160-I163 HydrophobicContact SD-CG2 4.26Å; I161-I163 PolarHBondContact O-N 3.44Å; I163-G166 PolarHBondContact O-N 2.9Å; I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CG 3.25Å; I163-L167 PolarHBondContact O-N 3.3Å; I163-C306 WeakPolarHBondContact CG1-SG 3.15Å; I163-I308 HydrophobicContact CG2-CG1 4.5Å; I163-A352 HydrophobicContact CD1-CB 3.92Å; I163-A352 HydrophobicContact CG1-CB 4.23Å; I163-C354 HydrophobicContact CB-CB 3.7Å; I163-C354 HydrophobicContact CD1-CB 3.92Å; I163-C354 HydrophobicContact CG1-CB 3.72Å; I163-C354 HydrophobicContact CG2-CB 4.09Å; I163-L397 HydrophobicContact CD1-CD2 4.49Å; I163-C399 HydrophobicContact CD1-CB 3.88Å |
| 164 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 170.9 | -72.1 | 172.9 | 0 | 0 | 0 | 111.4 | M160 I161 N162 L167 G168 L180 I183 V199 F220 L239 | M160-L164 HydrophobicContact CE-CD1 3.95Å; M160-L164 HydrophobicContact CE-CD2 3.84Å; M160-L164 HydrophobicContact CE-CG 3.84Å; M160-L164 HydrophobicContact CG-CD1 4.3Å; M160-L164 VanDerWaalsContact O-CG 3.26Å; M160-L164 WeakPolarHBondContact O-CG 3.43Å; M160-L164 PolarHBondContact O-N 2.94Å; M160-L164 VanDerWaalsContact O-N 3.09Å; I161-L164 PolarHBondContact O-N 3.28Å; N162-L164 VanDerWaalsContact C-N 3.35Å; N162-L164 PolarHBondContact O-N 3.28Å; L164-L167 PolarHBondContact O-N 3.18Å; L164-G168 PolarHBondContact O-N 3.24Å; L164-L180 HydrophobicContact CD2-CD2 4.12Å; L164-I183 HydrophobicContact CB-CD1 3.89Å; L164-I183 HydrophobicContact CB-CG2 4.38Å; L164-I183 HydrophobicContact CD1-CD1 4.29Å; L164-V199 HydrophobicContact CD1-CG1 4.17Å; L164-V199 HydrophobicContact CD1-CG2 4.05Å; L164-F220 HydrophobicContact CD2-CE1 3.95Å; L164-F220 HydrophobicContact CD2-CZ 4.02Å; L164-L239 HydrophobicContact CD1-CD1 4.38Å; L164-L239 HydrophobicContact CD2-CD1 4.06Å |
| 165 | H | 97.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 15.7 Ų | 15.7 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 171.5 | 172.1 | 71.7 | 0 | 0 | 0 | 111.5 | I161 N162 L167 G168 L169 I183 M185 F377 | I161-H165 PolarHBondContact O-N 2.74Å; N162-H165 WeakPolarHBondContact O-CB 3.4Å; N162-H165 PolarHBondContact O-N 2.98Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 3.07Å; H165-G168 WeakPolarHBondContact O-CA 3.33Å; H165-G168 PolarHBondContact O-N 3.18Å; H165-L169 PolarHBondContact O-N 3.2Å; H165-I183 HydrophobicContact CB-CG2 4.46Å; H165-I183 WeakPolarHBondContact CB-O 3.45Å; H165-I183 PolarHBondContact ND1-O 3.05Å; H165-M185 HydrophobicContact CB-SD 4.34Å; H165-M185 PolarHBondContact CD2-SD 3.36Å; H165-F377 AromaticContact CD2-CE2 3.62Å; H165-F377 AromaticContact CD2-CZ 3.83Å |
| 166 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N162 I163 G168 L169 R170 L397 | N162-G166 PolarHBondContact O-N 3.06Å; I163-G166 PolarHBondContact O-N 2.9Å; G166-G168 VanDerWaalsContact C-N 3.32Å; G166-G168 PolarHBondContact O-N 3.34Å; G166-L169 PolarHBondContact O-N 2.95Å; G166-R170 WeakPolarHBondContact O-CB 3.19Å; G166-R170 PolarHBondContact O-N 3.07Å; G166-L397 VanDerWaalsContact O-CD2 3.29Å; G166-L397 WeakPolarHBondContact O-CD2 3.38Å |
| 167 | L | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 172.2 | -79.5 | 171.2 | 0 | 0 | 0 | 112 | I163 L164 H165 L169 R170 F171 L180 F220 C306 L351 A352 | I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CG 3.25Å; I163-L167 PolarHBondContact O-N 3.3Å; L164-L167 PolarHBondContact O-N 3.18Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 3.07Å; L167-L169 PolarHBondContact O-N 2.93Å; L167-R170 PolarHBondContact O-N 2.97Å; L167-F171 HydrophobicContact CB-CD2 4.4Å; L167-F171 HydrophobicContact CB-CE2 4.22Å; L167-F171 HydrophobicContact CD2-CE2 4.34Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 WeakPolarHBondContact O-CD2 3.48Å; L167-F171 WeakPolarHBondContact O-CG 3.47Å; L167-F171 PolarHBondContact O-N 2.95Å; L167-L180 HydrophobicContact CB-CD1 4.03Å; L167-L180 HydrophobicContact CD1-CD1 4.48Å; L167-F220 HydrophobicContact CD1-CE1 3.66Å; L167-F220 HydrophobicContact CD1-CZ 3.8Å; L167-C306 HydrophobicContact CD1-CB 3.92Å; L167-L351 HydrophobicContact CD2-CB 4.36Å; L167-A352 HydrophobicContact CD2-CB 3.66Å; L167-A352 HydrophobicContact CG-CB 4.17Å |
| 168 | G | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L164 H165 G166 F171 L172 M181 | L164-G168 PolarHBondContact O-N 3.24Å; H165-G168 WeakPolarHBondContact O-CA 3.33Å; H165-G168 PolarHBondContact O-N 3.18Å; G166-G168 VanDerWaalsContact C-N 3.32Å; G166-G168 PolarHBondContact O-N 3.34Å; G168-F171 PolarHBondContact O-N 3.17Å; G168-L172 PolarHBondContact O-N 3.41Å; G168-M181 WeakPolarHBondContact O-CG 3.25Å |
| 169 | L | 96.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 21.2 Ų | 21.2 | 31% | 0.314 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63 | -41.4 | 175.6 | -62.4 | -178.5 | 0 | 0 | 0 | 112.4 | H165 G166 L167 L172 A173 F377 | H165-L169 PolarHBondContact O-N 3.2Å; G166-L169 PolarHBondContact O-N 2.95Å; L167-L169 PolarHBondContact O-N 2.93Å; L169-L172 WeakPolarHBondContact O-CB 3.01Å; L169-L172 PolarHBondContact O-N 3.36Å; L169-A173 WeakPolarHBondContact O-CB 3.45Å; L169-A173 PolarHBondContact O-N 3.26Å; L169-F377 HydrophobicContact CD1-CD2 4.42Å; L169-F377 HydrophobicContact CD1-CE2 4.31Å |
| 170 | R | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 179.9 | -175.1 | 58.8 | 174.6 | 153.5 | 4.2 | 111.6 | G166 L167 L172 A173 L174 V391 G393 G395 L397 | G166-R170 WeakPolarHBondContact O-CB 3.19Å; G166-R170 PolarHBondContact O-N 3.07Å; L167-R170 PolarHBondContact O-N 2.97Å; R170-L172 VanDerWaalsContact C-N 3.35Å; R170-A173 PolarHBondContact O-N 3.44Å; R170-L174 HydrophobicContact CG-CD1 4.19Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.45Å; R170-L174 PolarHBondContact O-N 2.81Å; R170-V391 PolarHBondContact NH1-O 3.11Å; R170-G393 VanDerWaalsContact CZ-O 3.31Å; R170-G393 PolarHBondContact NH1-O 3.2Å; R170-G393 PolarHBondContact NH2-O 2.98Å; R170-G395 PolarHBondContact NH2-O 3.49Å; R170-L397 HydrophobicContact CB-CD2 4.31Å |
| 171 | F | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.4 | -76.7 | -51 | 0 | 0 | 0 | 111.5 | L167 G168 A173 L174 G175 H176 T178 L180 V215 L218 L346 L351 | L167-F171 HydrophobicContact CB-CD2 4.4Å; L167-F171 HydrophobicContact CB-CE2 4.22Å; L167-F171 HydrophobicContact CD2-CE2 4.34Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 WeakPolarHBondContact O-CD2 3.48Å; L167-F171 WeakPolarHBondContact O-CG 3.47Å; L167-F171 PolarHBondContact O-N 2.95Å; G168-F171 PolarHBondContact O-N 3.17Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.02Å; F171-L174 CarbonylContact O-C 3.6Å; F171-L174 PolarHBondContact O-N 3.02Å; F171-L174 VanDerWaalsContact O-N 3.11Å; F171-G175 PolarHBondContact O-N 3.08Å; F171-H176 CarbonylContact C-O 3.57Å; F171-H176 VanDerWaalsContact C-O 3.25Å; F171-H176 HydrophobicContact CB-CB 4.05Å; F171-H176 WeakPolarHBondContact O-CA 3.43Å; F171-H176 WeakPolarHBondContact O-CB 3.24Å; F171-H176 PolarHBondContact O-N 3.26Å; F171-T178 HydrophobicContact CB-CG2 3.81Å; F171-T178 HydrophobicContact CD2-CG2 4.01Å; F171-T178 HydrophobicContact CG-CG2 3.88Å; F171-L180 HydrophobicContact CD2-CD1 4.35Å; F171-L180 HydrophobicContact CE2-CD1 4.05Å; F171-V215 HydrophobicContact CD1-CG1 4.43Å; F171-V215 HydrophobicContact CD1-CG2 4.17Å; F171-V215 HydrophobicContact CE1-CG1 3.62Å; F171-V215 HydrophobicContact CE1-CG2 4.12Å; F171-V215 HydrophobicContact CZ-CG1 3.8Å; F171-L218 HydrophobicContact CE2-CD2 4.28Å; F171-L218 HydrophobicContact CZ-CD2 3.66Å; F171-L346 HydrophobicContact CD1-CD2 4.19Å; F171-L346 HydrophobicContact CE1-CD1 4.36Å; F171-L346 HydrophobicContact CE1-CD2 3.97Å; F171-L351 HydrophobicContact CD1-CD1 4.3Å; F171-L351 HydrophobicContact CE1-CD1 3.47Å; F171-L351 VanDerWaalsContact CE1-CD1 3.47Å; F171-L351 HydrophobicContact CZ-CD1 3.87Å |
| 172 | L | 94.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 29.3 Ų | 29.3 | 51% | 0.508 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.6 | -178.2 | 59.1 | 0 | 0 | 0 | 111.6 | G168 L169 R170 L174 G175 H176 M181 | G168-L172 PolarHBondContact O-N 3.41Å; L169-L172 WeakPolarHBondContact O-CB 3.01Å; L169-L172 PolarHBondContact O-N 3.36Å; R170-L172 VanDerWaalsContact C-N 3.35Å; L172-L174 PolarHBondContact O-N 2.81Å; L172-G175 PolarHBondContact O-N 3.28Å; L172-H176 WeakPolarHBondContact CA-O 3.36Å; L172-H176 PolarHBondContact N-O 3.37Å; L172-M181 HydrophobicContact CB-SD 3.71Å; L172-M181 HydrophobicContact CD1-SD 3.78Å; L172-M181 HydrophobicContact CD2-SD 4.16Å; L172-M181 HydrophobicContact CG-SD 4.08Å |
| 173 | A | 92.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 29% | 0.289 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.6 | -28.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L169 R170 F171 G175 V391 E392 | L169-A173 WeakPolarHBondContact O-CB 3.45Å; L169-A173 PolarHBondContact O-N 3.26Å; R170-A173 PolarHBondContact O-N 3.44Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.02Å; A173-G175 VanDerWaalsContact C-N 3.29Å; A173-V391 HydrophobicContact CB-CG2 4.1Å; A173-V391 WeakPolarHBondContact CB-O 3.46Å; A173-E392 HydrophobicContact CB-CG 4.09Å |
| 174 | L | 91.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.7 | 174.4 | -65.3 | 173.5 | 0 | 0 | 0 | 113.2 | R170 F171 L172 P344 L346 P347 L351 | R170-L174 HydrophobicContact CG-CD1 4.19Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.45Å; R170-L174 PolarHBondContact O-N 2.81Å; F171-L174 CarbonylContact O-C 3.6Å; F171-L174 PolarHBondContact O-N 3.02Å; F171-L174 VanDerWaalsContact O-N 3.11Å; L172-L174 PolarHBondContact O-N 2.81Å; L174-P344 VanDerWaalsContact O-CG 3.3Å; L174-P344 WeakPolarHBondContact O-CG 3.45Å; L174-L346 HydrophobicContact CD1-CD2 4.01Å; L174-P347 HydrophobicContact CD1-CG 4.46Å; L174-P347 HydrophobicContact CD2-CG 4.06Å; L174-L351 HydrophobicContact CD1-CD1 4.46Å; L174-L351 HydrophobicContact CD1-CD2 4.02Å |
| 175 | G | 92.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 55% | 0.546 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 21.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | F171 L172 A173 | F171-G175 PolarHBondContact O-N 3.08Å; L172-G175 PolarHBondContact O-N 3.28Å; A173-G175 VanDerWaalsContact C-N 3.29Å |
| 176 | H | 92.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -116.6 | 121.5 | -179.6 | -61.3 | -53.8 | 0 | 0 | 0 | 112.8 | F171 L172 T178 S214 V215 P344 | F171-H176 CarbonylContact C-O 3.57Å; F171-H176 VanDerWaalsContact C-O 3.25Å; F171-H176 HydrophobicContact CB-CB 4.05Å; F171-H176 WeakPolarHBondContact O-CA 3.43Å; F171-H176 WeakPolarHBondContact O-CB 3.24Å; F171-H176 PolarHBondContact O-N 3.26Å; L172-H176 WeakPolarHBondContact CA-O 3.36Å; L172-H176 PolarHBondContact N-O 3.37Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; H176-S214 PolarHBondContact CE1-OG 3.29Å; H176-S214 PolarHBondContact ND1-OG 2.88Å; H176-V215 HydrophobicContact CB-CG2 4.28Å; H176-P344 PolarHBondContact CE1-O 3.27Å; H176-P344 PolarHBondContact NE2-O 3.49Å | ||
| 177 | H | 93.6 | Very high | 95.3 | Very high | 126 Ų | 126 | 31.5 Ų | 31.5 | 58% | 0.583 | 18% | 0.177 | S | C | * | . | trans | -79.4 | 120.8 | 163 | -177.9 | 93.8 | 0 | 0 | 0 | 109.1 | M181 P212 | H177-M181 HydrophobicContact CB-CE 4.24Å; H177-M181 WeakPolarHBondContact CE1-CE 3.47Å; H177-M181 WeakPolarHBondContact ND1-CE 3.38Å; H177-P212 WeakPolarHBondContact O-CG 3.46Å | ||
| 178 | T | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -135.1 | 154.5 | -180 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | F171 H176 L180 M181 M211 P212 | F171-T178 HydrophobicContact CB-CG2 3.81Å; F171-T178 HydrophobicContact CD2-CG2 4.01Å; F171-T178 HydrophobicContact CG-CG2 3.88Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; T178-L180 PolarHBondContact O-N 3.07Å; T178-L180 VanDerWaalsContact O-N 3.07Å; T178-M181 WeakPolarHBondContact O-CB 3.29Å; T178-M181 WeakPolarHBondContact O-CG 3.46Å; T178-M181 PolarHBondContact O-N 3.5Å; T178-M181 VanDerWaalsContact O-N 3.09Å; T178-M211 HydrophobicContact CG2-CE 4.12Å; T178-M211 HydrophobicContact CG2-SD 4.31Å; T178-P212 HydrophobicContact CG2-CG 4.33Å | ||
| 179 | P | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -54.7 | -26.7 | 175.7 | -29.8 | 38.2 | 0 | 0 | 0 | 114.6 | M181 H182 A202 E205 I206 L210 M211 | P179-M181 PolarHBondContact O-N 3Å; P179-H182 PolarHBondContact O-N 3.09Å; P179-A202 HydrophobicContact CB-CB 4.08Å; P179-A202 WeakPolarHBondContact CB-O 3.48Å; P179-E205 HydrophobicContact CB-CB 3.82Å; P179-E205 WeakPolarHBondContact CB-OE2 3.03Å; P179-E205 HydrophobicContact CG-CB 3.63Å; P179-I206 HydrophobicContact CB-CG1 4.18Å; P179-I206 HydrophobicContact CG-CG1 4.04Å; P179-L210 HydrophobicContact CG-CB 4.48Å; P179-M211 VanDerWaalsContact CD-SD 3.6Å; P179-M211 HydrophobicContact CG-SD 4.39Å |
| 180 | L | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.4 | -21.1 | -179.9 | -59.7 | -176.7 | 0 | 0 | 0 | 113.3 | L164 L167 F171 T178 H182 I183 I206 L218 | L164-L180 HydrophobicContact CD2-CD2 4.12Å; L167-L180 HydrophobicContact CB-CD1 4.03Å; L167-L180 HydrophobicContact CD1-CD1 4.48Å; F171-L180 HydrophobicContact CD2-CD1 4.35Å; F171-L180 HydrophobicContact CE2-CD1 4.05Å; T178-L180 PolarHBondContact O-N 3.07Å; T178-L180 VanDerWaalsContact O-N 3.07Å; L180-H182 PolarHBondContact O-N 3.39Å; L180-H182 VanDerWaalsContact O-N 3.14Å; L180-I183 HydrophobicContact CD2-CD1 3.8Å; L180-I183 PolarHBondContact O-N 3.04Å; L180-I206 HydrophobicContact CD2-CD1 4.33Å; L180-L218 HydrophobicContact CD1-CD1 4.43Å |
| 181 | M | 95.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -61.8 | -21.5 | 179.6 | -65.9 | -162.3 | -44.4 | 0 | 0 | 113.9 | G168 L172 H177 T178 P179 | G168-M181 WeakPolarHBondContact O-CG 3.25Å; L172-M181 HydrophobicContact CB-SD 3.71Å; L172-M181 HydrophobicContact CD1-SD 3.78Å; L172-M181 HydrophobicContact CD2-SD 4.16Å; L172-M181 HydrophobicContact CG-SD 4.08Å; H177-M181 HydrophobicContact CB-CE 4.24Å; H177-M181 WeakPolarHBondContact CE1-CE 3.47Å; H177-M181 WeakPolarHBondContact ND1-CE 3.38Å; T178-M181 WeakPolarHBondContact O-CB 3.29Å; T178-M181 WeakPolarHBondContact O-CG 3.46Å; T178-M181 PolarHBondContact O-N 3.5Å; T178-M181 VanDerWaalsContact O-N 3.09Å; P179-M181 PolarHBondContact O-N 3Å |
| 182 | H | 94 | Very high | 94.1 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -90.8 | -5.2 | -177.5 | -61.5 | -53.8 | 0 | 0 | 0 | 113.6 | P179 L180 G184 | P179-H182 PolarHBondContact O-N 3.09Å; L180-H182 PolarHBondContact O-N 3.39Å; L180-H182 VanDerWaalsContact O-N 3.14Å; H182-G184 PolarHBondContact O-N 3.12Å |
| 183 | I | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 119.9 | 172.8 | -60.7 | 169.1 | 0 | 0 | 0 | 107.5 | I161 L164 H165 L180 V199 A202 | I161-I183 HydrophobicContact CG2-CG2 4.37Å; L164-I183 HydrophobicContact CB-CD1 3.89Å; L164-I183 HydrophobicContact CB-CG2 4.38Å; L164-I183 HydrophobicContact CD1-CD1 4.29Å; H165-I183 HydrophobicContact CB-CG2 4.46Å; H165-I183 WeakPolarHBondContact CB-O 3.45Å; H165-I183 PolarHBondContact ND1-O 3.05Å; L180-I183 HydrophobicContact CD2-CD1 3.8Å; L180-I183 PolarHBondContact O-N 3.04Å; I183-V199 HydrophobicContact CD1-CG2 4.14Å; I183-V199 HydrophobicContact CG2-CG2 4.45Å; I183-A202 HydrophobicContact CD1-CB 3.98Å; I183-A202 HydrophobicContact CG1-CB 4.14Å |
| 184 | G | 96.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 169.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I161 H182 Y189 | I161-G184 WeakPolarHBondContact CG2-O 3.21Å; H182-G184 PolarHBondContact O-N 3.12Å; G184-Y189 PolarHBondContact N-OH 3.5Å; G184-Y189 VanDerWaalsContact O-CE2 3.24Å; G184-Y189 WeakPolarHBondContact O-CE2 3.29Å; G184-Y189 PolarHBondContact O-OH 3.14Å |
| 185 | M | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.054 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 152.3 | 171.9 | -71.6 | -66 | -70.7 | 0 | 0 | 112.4 | N162 H165 H187 N188 Y189 P376 F377 | N162-M185 HydrophobicContact CB-CE 4.11Å; N162-M185 HydrophobicContact CB-SD 4.21Å; N162-M185 WeakPolarHBondContact ND2-CE 3.45Å; N162-M185 WeakPolarHBondContact OD1-CE 3.4Å; H165-M185 HydrophobicContact CB-SD 4.34Å; H165-M185 PolarHBondContact CD2-SD 3.36Å; M185-H187 PolarHBondContact O-N 3.37Å; M185-H187 VanDerWaalsContact O-N 3.12Å; M185-N188 VanDerWaalsContact O-CB 3.32Å; M185-N188 WeakPolarHBondContact O-CB 3.39Å; M185-N188 PolarHBondContact O-N 3.39Å; M185-Y189 WeakPolarHBondContact O-CD2 3.47Å; M185-Y189 WeakPolarHBondContact O-CE2 3.27Å; M185-P376 HydrophobicContact CE-CB 3.4Å; M185-P376 HydrophobicContact CE-CG 3.58Å; M185-P376 HydrophobicContact SD-CB 4.46Å; M185-P376 HydrophobicContact SD-CG 4.25Å; M185-F377 HydrophobicContact CE-CZ 4.42Å; M185-F377 HydrophobicContact SD-CE2 3.79Å; M185-F377 HydrophobicContact SD-CZ 3.67Å |
| 186 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -54.4 | -37.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A158 I161 N162 N188 Y189 Q407 | A158-A186 HydrophobicContact CB-CB 4.08Å; I161-A186 HydrophobicContact CB-CB 4.14Å; I161-A186 HydrophobicContact CD1-CB 4.13Å; I161-A186 HydrophobicContact CG2-CB 4.06Å; N162-A186 VanDerWaalsContact OD1-CB 3.27Å; N162-A186 WeakPolarHBondContact OD1-CB 3.24Å; N162-A186 PolarHBondContact OD1-N 2.77Å; A186-N188 VanDerWaalsContact C-N 3.28Å; A186-N188 PolarHBondContact O-N 2.97Å; A186-Y189 PolarHBondContact O-N 2.73Å; A186-Q407 HydrophobicContact CB-CB 3.83Å |
| 187 | H | 94.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -76 | -10.1 | -179.9 | 63.4 | -96.8 | 0 | 0 | 0 | 114.6 | W37 M185 Y189 Q407 | W37-H187 AromaticContact CH2-CD2 3.86Å; W37-H187 AromaticContact CH2-CG 3.98Å; W37-H187 HydrophobicContact CZ3-CB 3.9Å; W37-H187 AromaticContact CZ3-CG 3.83Å; M185-H187 PolarHBondContact O-N 3.37Å; M185-H187 VanDerWaalsContact O-N 3.12Å; H187-Y189 VanDerWaalsContact C-N 3.28Å; H187-Q407 HydrophobicContact CB-CB 4.02Å; H187-Q407 HydrophobicContact CB-CG 4.09Å; H187-Q407 PolarHBondContact ND1-OE1 3.19Å; H187-Q407 VanDerWaalsContact ND1-OE1 3.1Å |
| 188 | N | 95.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -77 | -18.2 | 174.9 | -69.7 | -12.6 | 0 | 0 | 0 | 112.2 | M185 A186 | M185-N188 VanDerWaalsContact O-CB 3.32Å; M185-N188 WeakPolarHBondContact O-CB 3.39Å; M185-N188 PolarHBondContact O-N 3.39Å; A186-N188 VanDerWaalsContact C-N 3.28Å; A186-N188 PolarHBondContact O-N 2.97Å |
| 189 | Y | 94.9 | Very high | 95 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -90.3 | 141.8 | 177.2 | -54.9 | -74.5 | 0 | 0 | 0 | 110.8 | I161 G184 M185 A186 H187 N191 Q194 A195 A198 | I161-Y189 HydrophobicContact CG2-CD2 4.41Å; I161-Y189 HydrophobicContact CG2-CE2 3.8Å; G184-Y189 PolarHBondContact N-OH 3.5Å; G184-Y189 VanDerWaalsContact O-CE2 3.24Å; G184-Y189 WeakPolarHBondContact O-CE2 3.29Å; G184-Y189 PolarHBondContact O-OH 3.14Å; M185-Y189 WeakPolarHBondContact O-CD2 3.47Å; M185-Y189 WeakPolarHBondContact O-CE2 3.27Å; A186-Y189 PolarHBondContact O-N 2.73Å; H187-Y189 VanDerWaalsContact C-N 3.28Å; Y189-N191 VanDerWaalsContact C-N 3.25Å; Y189-N191 PolarHBondContact O-N 3.09Å; Y189-Q194 HydrophobicContact CD1-CB 4.03Å; Y189-A195 HydrophobicContact CD1-CB 4.23Å; Y189-A195 HydrophobicContact CD2-CB 3.44Å; Y189-A195 VanDerWaalsContact CD2-CB 3.44Å; Y189-A195 HydrophobicContact CE2-CB 3.79Å; Y189-A195 HydrophobicContact CG-CB 3.67Å; Y189-A198 HydrophobicContact CE1-CB 3.72Å; Y189-A198 WeakPolarHBondContact OH-CB 3.31Å |
| 190 | R | 88.1 | Confident | 95.1 | Very high | 204 Ų | 204 | 53.4 Ų | 53.4 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -67.6 | -31.5 | 176.2 | -173.9 | 176.4 | 177.2 | 177.3 | 0.2 | 112.1 | Q194 | R190-Q194 VanDerWaalsContact CB-OE1 3.24Š|
| 191 | N | 89 | Confident | 95.1 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -157.2 | 164.5 | 179.3 | 56.2 | 56.1 | 0 | 0 | 0 | 110.1 | Y189 S193 Q194 A195 E411 | Y189-N191 VanDerWaalsContact C-N 3.25Å; Y189-N191 PolarHBondContact O-N 3.09Å; N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.4Å; N191-S193 WeakPolarHBondContact OD1-CB 3.48Å; N191-S193 PolarHBondContact OD1-N 3.33Å; N191-Q194 WeakPolarHBondContact O-CB 3.39Å; N191-Q194 PolarHBondContact O-N 2.69Å; N191-Q194 VanDerWaalsContact O-N 3.14Å; N191-Q194 PolarHBondContact OD1-N 3.07Å; N191-A195 PolarHBondContact O-N 2.91Å; N191-E411 WeakPolarHBondContact CA-OE1 3.37Å; N191-E411 VanDerWaalsContact CB-OE1 3.27Å; N191-E411 WeakPolarHBondContact CB-OE1 3.46Å |
| 192 | S | 90 | Very high | 95.2 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.6 | -34.7 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | Q194 A195 V196 E411 | S192-Q194 VanDerWaalsContact C-N 3.33Å; S192-Q194 PolarHBondContact O-N 3.19Å; S192-A195 WeakPolarHBondContact O-CB 3.45Å; S192-A195 PolarHBondContact O-N 3.23Å; S192-V196 WeakPolarHBondContact O-CG2 2.99Å; S192-V196 PolarHBondContact O-N 3.37Å; S192-E411 VanDerWaalsContact CB-OE1 3.29Å; S192-E411 WeakPolarHBondContact CB-OE1 3.33Å; S192-E411 PolarHBondContact N-OE1 3.07Å; S192-E411 PolarHBondContact OG-OE1 3.14Å |
| 193 | S | 92.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.7 | -37.9 | 176.8 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | N191 Q197 | N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.4Å; N191-S193 WeakPolarHBondContact OD1-CB 3.48Å; N191-S193 PolarHBondContact OD1-N 3.33Å; S193-Q197 PolarHBondContact O-N 3.31Å |
| 194 | Q | 95.8 | Very high | 95.4 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 173.5 | -71.9 | -176.6 | -14.3 | 0 | 0 | 111.7 | Y189 R190 N191 S192 Q197 A198 | Y189-Q194 HydrophobicContact CD1-CB 4.03Å; R190-Q194 VanDerWaalsContact CB-OE1 3.24Å; N191-Q194 WeakPolarHBondContact O-CB 3.39Å; N191-Q194 PolarHBondContact O-N 2.69Å; N191-Q194 VanDerWaalsContact O-N 3.14Å; N191-Q194 PolarHBondContact OD1-N 3.07Å; S192-Q194 VanDerWaalsContact C-N 3.33Å; S192-Q194 PolarHBondContact O-N 3.19Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q194-A198 PolarHBondContact O-N 3.34Å; Q194-A198 VanDerWaalsContact O-N 3.08Å |
| 195 | A | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I161 Y189 N191 S192 Q197 A198 V199 M235 | I161-A195 HydrophobicContact CD1-CB 3.6Å; I161-A195 HydrophobicContact CG1-CB 4.23Å; Y189-A195 HydrophobicContact CD1-CB 4.23Å; Y189-A195 HydrophobicContact CD2-CB 3.44Å; Y189-A195 VanDerWaalsContact CD2-CB 3.44Å; Y189-A195 HydrophobicContact CE2-CB 3.79Å; Y189-A195 HydrophobicContact CG-CB 3.67Å; N191-A195 PolarHBondContact O-N 2.91Å; S192-A195 WeakPolarHBondContact O-CB 3.45Å; S192-A195 PolarHBondContact O-N 3.23Å; A195-Q197 VanDerWaalsContact C-N 3.28Å; A195-Q197 PolarHBondContact O-N 3.32Å; A195-A198 PolarHBondContact O-N 3.34Å; A195-V199 WeakPolarHBondContact O-CG2 3.47Å; A195-V199 PolarHBondContact O-N 3.29Å; A195-M235 HydrophobicContact CB-CE 4.32Å |
| 196 | V | 96.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -40 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | S192 V199 R200 M235 A238 | S192-V196 WeakPolarHBondContact O-CG2 2.99Å; S192-V196 PolarHBondContact O-N 3.37Å; V196-V199 PolarHBondContact O-N 3.27Å; V196-R200 HydrophobicContact CG1-CG 4.39Å; V196-R200 WeakPolarHBondContact O-CG 3.26Å; V196-R200 PolarHBondContact O-N 3.46Å; V196-M235 HydrophobicContact CG2-CE 3.57Å; V196-M235 HydrophobicContact CG2-SD 3.98Å; V196-A238 HydrophobicContact CG1-CB 4.21Å |
| 197 | Q | 97.4 | Very high | 95.6 | Very high | 89 Ų | 89 | 61 Ų | 61 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 177.4 | -171.3 | 59.1 | 47.1 | 0 | 0 | 111.7 | S193 Q194 A195 V199 R200 D201 | S193-Q197 PolarHBondContact O-N 3.31Å; Q194-Q197 PolarHBondContact O-N 3.03Å; A195-Q197 VanDerWaalsContact C-N 3.28Å; A195-Q197 PolarHBondContact O-N 3.32Å; Q197-V199 VanDerWaalsContact C-N 3.3Å; Q197-V199 PolarHBondContact O-N 2.82Å; Q197-R200 WeakPolarHBondContact O-CB 3.33Å; Q197-R200 PolarHBondContact O-N 2.83Å; Q197-R200 VanDerWaalsContact O-N 3.1Å; Q197-D201 PolarHBondContact NE2-OD1 3.39Å; Q197-D201 PolarHBondContact O-N 3.42Å |
| 198 | A | 97.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y189 Q194 A195 D201 A202 | Y189-A198 HydrophobicContact CE1-CB 3.72Å; Y189-A198 WeakPolarHBondContact OH-CB 3.31Å; Q194-A198 PolarHBondContact O-N 3.34Å; Q194-A198 VanDerWaalsContact O-N 3.08Å; A195-A198 PolarHBondContact O-N 3.34Å; A198-D201 PolarHBondContact O-N 2.92Å; A198-A202 PolarHBondContact O-N 3.12Å; A198-A202 VanDerWaalsContact O-N 3.12Å |
| 199 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -38 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L164 I183 A195 V196 Q197 G203 M235 A238 L239 | L164-V199 HydrophobicContact CD1-CG1 4.17Å; L164-V199 HydrophobicContact CD1-CG2 4.05Å; I183-V199 HydrophobicContact CD1-CG2 4.14Å; I183-V199 HydrophobicContact CG2-CG2 4.45Å; A195-V199 WeakPolarHBondContact O-CG2 3.47Å; A195-V199 PolarHBondContact O-N 3.29Å; V196-V199 PolarHBondContact O-N 3.27Å; Q197-V199 VanDerWaalsContact C-N 3.3Å; Q197-V199 PolarHBondContact O-N 2.82Å; V199-G203 PolarHBondContact O-N 2.97Å; V199-M235 HydrophobicContact CB-SD 4.06Å; V199-M235 HydrophobicContact CG1-SD 4.4Å; V199-M235 HydrophobicContact CG2-CG 4.24Å; V199-M235 HydrophobicContact CG2-SD 3.6Å; V199-M235 VanDerWaalsContact CG2-SD 3.6Å; V199-A238 HydrophobicContact CB-CB 4.19Å; V199-A238 HydrophobicContact CG1-CB 3.75Å; V199-L239 HydrophobicContact CG1-CD2 3.64Å; V199-L239 HydrophobicContact CG1-CG 3.69Å |
| 200 | R | 98.2 | Very high | 95.8 | Very high | 139 Ų | 139 | 63.2 Ų | 63.2 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.3 | -76.5 | 176.4 | 176.5 | 166.4 | -0.4 | 112.6 | V196 Q197 G203 Y204 A238 | V196-R200 HydrophobicContact CG1-CG 4.39Å; V196-R200 WeakPolarHBondContact O-CG 3.26Å; V196-R200 PolarHBondContact O-N 3.46Å; Q197-R200 WeakPolarHBondContact O-CB 3.33Å; Q197-R200 PolarHBondContact O-N 2.83Å; Q197-R200 VanDerWaalsContact O-N 3.1Å; R200-G203 CarbonylContact O-C 3.57Å; R200-G203 PolarHBondContact O-N 2.98Å; R200-Y204 WeakPolarHBondContact O-CB 3.33Å; R200-Y204 PolarHBondContact O-N 2.76Å; R200-A238 HydrophobicContact CG-CB 4.06Å |
| 201 | D | 98 | Very high | 96.1 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 178.6 | -63.8 | -20.9 | 0 | 0 | 0 | 109.9 | Q197 A198 G203 Y204 E205 | Q197-D201 PolarHBondContact NE2-OD1 3.39Å; Q197-D201 PolarHBondContact O-N 3.42Å; A198-D201 PolarHBondContact O-N 2.92Å; D201-G203 VanDerWaalsContact C-N 3.31Å; D201-G203 PolarHBondContact O-N 2.85Å; D201-Y204 WeakPolarHBondContact O-CB 3.42Å; D201-Y204 PolarHBondContact O-N 2.81Å; D201-E205 PolarHBondContact O-N 3.41Å |
| 202 | A | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P179 I183 A198 Y204 E205 I206 | P179-A202 HydrophobicContact CB-CB 4.08Å; P179-A202 WeakPolarHBondContact CB-O 3.48Å; I183-A202 HydrophobicContact CD1-CB 3.98Å; I183-A202 HydrophobicContact CG1-CB 4.14Å; A198-A202 PolarHBondContact O-N 3.12Å; A198-A202 VanDerWaalsContact O-N 3.12Å; A202-Y204 VanDerWaalsContact C-N 3.35Å; A202-Y204 PolarHBondContact O-N 2.95Å; A202-E205 PolarHBondContact O-N 2.66Å; A202-I206 VanDerWaalsContact O-CG1 3.31Å; A202-I206 WeakPolarHBondContact O-CG1 3.4Å; A202-I206 PolarHBondContact O-N 3.36Å |
| 203 | G | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V199 R200 D201 I206 S207 P240 | V199-G203 PolarHBondContact O-N 2.97Å; R200-G203 CarbonylContact O-C 3.57Å; R200-G203 PolarHBondContact O-N 2.98Å; D201-G203 VanDerWaalsContact C-N 3.31Å; D201-G203 PolarHBondContact O-N 2.85Å; G203-I206 PolarHBondContact O-N 3.36Å; G203-S207 PolarHBondContact O-N 2.92Å; G203-P240 VanDerWaalsContact O-CD 3.29Å; G203-P240 WeakPolarHBondContact O-CD 3.42Å; G203-P240 VanDerWaalsContact O-CG 3.32Å; G203-P240 WeakPolarHBondContact O-CG 3.4Å |
| 204 | Y | 97.9 | Very high | 96.1 | Very high | 153 Ų | 153 | 58.7 Ų | 58.7 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 175.6 | 178 | -108.5 | 0 | 0 | 0 | 110.8 | R200 D201 A202 I206 S207 L208 | R200-Y204 WeakPolarHBondContact O-CB 3.33Å; R200-Y204 PolarHBondContact O-N 2.76Å; D201-Y204 WeakPolarHBondContact O-CB 3.42Å; D201-Y204 PolarHBondContact O-N 2.81Å; A202-Y204 VanDerWaalsContact C-N 3.35Å; A202-Y204 PolarHBondContact O-N 2.95Å; Y204-I206 VanDerWaalsContact C-N 3.35Å; Y204-I206 PolarHBondContact O-N 3.32Å; Y204-S207 WeakPolarHBondContact O-CB 3.42Å; Y204-S207 PolarHBondContact O-N 3.4Å; Y204-S207 VanDerWaalsContact O-N 3.1Å; Y204-S207 PolarHBondContact O-OG 2.9Å; Y204-L208 HydrophobicContact CD1-CD1 4.14Å; Y204-L208 HydrophobicContact CE1-CD1 3.65Å; Y204-L208 HydrophobicContact CE1-CG 4.39Å; Y204-L208 WeakPolarHBondContact O-CG 3.34Å; Y204-L208 PolarHBondContact O-N 3.07Å; Y204-L208 VanDerWaalsContact O-N 3.13Å |
| 205 | E | 97.9 | Very high | 95.8 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.9 | -69.8 | -177.8 | -169.6 | 0 | 0 | 112.8 | P179 D201 A202 S207 L208 G209 L210 | P179-E205 HydrophobicContact CB-CB 3.82Å; P179-E205 WeakPolarHBondContact CB-OE2 3.03Å; P179-E205 HydrophobicContact CG-CB 3.63Å; D201-E205 PolarHBondContact O-N 3.41Å; A202-E205 PolarHBondContact O-N 2.66Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.5Å; E205-L208 PolarHBondContact O-N 3.32Å; E205-G209 PolarHBondContact O-N 3.49Å; E205-L210 HydrophobicContact CB-CB 4.42Å; E205-L210 HydrophobicContact CB-CD1 3.92Å; E205-L210 HydrophobicContact CG-CD1 4.05Å; E205-L210 WeakPolarHBondContact O-CB 3.31Å; E205-L210 WeakPolarHBondContact O-CG 3.49Å; E205-L210 PolarHBondContact O-N 3.44Å |
| 206 | I | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 172.7 | -67.5 | 166.4 | 0 | 0 | 0 | 110 | P179 L180 A202 G203 Y204 L208 G209 M211 L239 P240 R259 V261 | P179-I206 HydrophobicContact CB-CG1 4.18Å; P179-I206 HydrophobicContact CG-CG1 4.04Å; L180-I206 HydrophobicContact CD2-CD1 4.33Å; A202-I206 VanDerWaalsContact O-CG1 3.31Å; A202-I206 WeakPolarHBondContact O-CG1 3.4Å; A202-I206 PolarHBondContact O-N 3.36Å; G203-I206 PolarHBondContact O-N 3.36Å; Y204-I206 VanDerWaalsContact C-N 3.35Å; Y204-I206 PolarHBondContact O-N 3.32Å; I206-L208 PolarHBondContact O-N 2.98Å; I206-G209 WeakPolarHBondContact O-CA 3.24Å; I206-G209 PolarHBondContact O-N 2.85Å; I206-M211 HydrophobicContact CB-CG 4.41Å; I206-M211 HydrophobicContact CG1-CG 3.86Å; I206-M211 HydrophobicContact CG1-SD 4.12Å; I206-M211 HydrophobicContact CG2-CG 4.2Å; I206-L239 HydrophobicContact CD1-CD2 4.16Å; I206-P240 HydrophobicContact CB-CG 3.99Å; I206-P240 HydrophobicContact CG2-CG 3.73Å; I206-R259 WeakPolarHBondContact O-CA 3.47Å; I206-V261 HydrophobicContact CD1-CG1 4.38Å |
| 207 | S | 97.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -25.9 | -179.2 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | G203 Y204 E205 G209 R259 | G203-S207 PolarHBondContact O-N 2.92Å; Y204-S207 WeakPolarHBondContact O-CB 3.42Å; Y204-S207 PolarHBondContact O-N 3.4Å; Y204-S207 VanDerWaalsContact O-N 3.1Å; Y204-S207 PolarHBondContact O-OG 2.9Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.5Å; S207-G209 PolarHBondContact O-N 2.94Å; S207-R259 WeakPolarHBondContact CA-O 3.23Å |
| 208 | L | 97.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6.5 | 172.7 | -64.7 | 178.3 | 0 | 0 | 0 | 113.1 | Y204 E205 I206 L210 | Y204-L208 HydrophobicContact CD1-CD1 4.14Å; Y204-L208 HydrophobicContact CE1-CD1 3.65Å; Y204-L208 HydrophobicContact CE1-CG 4.39Å; Y204-L208 WeakPolarHBondContact O-CG 3.34Å; Y204-L208 PolarHBondContact O-N 3.07Å; Y204-L208 VanDerWaalsContact O-N 3.13Å; E205-L208 PolarHBondContact O-N 3.32Å; I206-L208 PolarHBondContact O-N 2.98Å; L208-L210 HydrophobicContact CB-CG 4.19Å |
| 209 | G | 95 | Very high | 95.7 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 26.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E205 I206 S207 M211 | E205-G209 PolarHBondContact O-N 3.49Å; I206-G209 WeakPolarHBondContact O-CA 3.24Å; I206-G209 PolarHBondContact O-N 2.85Å; S207-G209 PolarHBondContact O-N 2.94Å; G209-M211 PolarHBondContact O-N 3.47Å |
| 210 | L | 95.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | trans | -80.6 | 5.4 | 179.6 | -59 | -178.4 | 0 | 0 | 0 | 113.9 | P179 E205 L208 | P179-L210 HydrophobicContact CG-CB 4.48Å; E205-L210 HydrophobicContact CB-CB 4.42Å; E205-L210 HydrophobicContact CB-CD1 3.92Å; E205-L210 HydrophobicContact CG-CD1 4.05Å; E205-L210 WeakPolarHBondContact O-CB 3.31Å; E205-L210 WeakPolarHBondContact O-CG 3.49Å; E205-L210 PolarHBondContact O-N 3.44Å; L208-L210 HydrophobicContact CB-CG 4.19Å | ||
| 211 | M | 94.7 | Very high | 95.8 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -75.8 | 132.9 | 169.6 | -75.9 | -64.3 | -61.8 | 0 | 0 | 111.2 | T178 P179 I206 G209 K213 V215 L218 | T178-M211 HydrophobicContact CG2-CE 4.12Å; T178-M211 HydrophobicContact CG2-SD 4.31Å; P179-M211 VanDerWaalsContact CD-SD 3.6Å; P179-M211 HydrophobicContact CG-SD 4.39Å; I206-M211 HydrophobicContact CB-CG 4.41Å; I206-M211 HydrophobicContact CG1-CG 3.86Å; I206-M211 HydrophobicContact CG1-SD 4.12Å; I206-M211 HydrophobicContact CG2-CG 4.2Å; G209-M211 PolarHBondContact O-N 3.47Å; M211-K213 PolarHBondContact O-N 3.14Å; M211-V215 HydrophobicContact CE-CB 4.36Å; M211-V215 HydrophobicContact CE-CG1 3.82Å; M211-L218 HydrophobicContact CE-CD1 3.73Å; M211-L218 HydrophobicContact CE-CD2 4.47Å; M211-L218 HydrophobicContact CE-CG 4.19Å |
| 212 | P | 92.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 39 Ų | 39 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | trans | -60.6 | 133.9 | 175 | -22.8 | 32.9 | 0 | 0 | 0 | 112.1 | H177 T178 S214 V215 | H177-P212 WeakPolarHBondContact O-CG 3.46Å; T178-P212 HydrophobicContact CG2-CG 4.33Å; P212-S214 PolarHBondContact O-N 3.03Å; P212-V215 HydrophobicContact CB-CG2 4.19Å; P212-V215 HydrophobicContact CG-CG2 4.43Å; P212-V215 WeakPolarHBondContact O-CB 3.39Å; P212-V215 PolarHBondContact O-N 3.09Å; P212-V215 VanDerWaalsContact O-N 3.11Å | ||
| 213 | K | 90.6 | Very high | 95.7 | Very high | 182 Ų | 182 | 38.8 Ų | 38.8 | 79% | 0.791 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -60.4 | -28.9 | 179.2 | -66.4 | -175.1 | -179.5 | 179.1 | 0 | 113.3 | M211 V215 G216 L258 | M211-K213 PolarHBondContact O-N 3.14Å; K213-V215 PolarHBondContact O-N 2.97Å; K213-G216 PolarHBondContact O-N 3.46Å; K213-L258 HydrophobicContact CB-CD1 4.36Å; K213-L258 HydrophobicContact CG-CD1 4.03Å |
| 214 | S | 88.8 | Confident | 95.2 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -66.8 | -20.2 | 178.7 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | H176 P212 P344 | H176-S214 PolarHBondContact CE1-OG 3.29Å; H176-S214 PolarHBondContact ND1-OG 2.88Å; P212-S214 PolarHBondContact O-N 3.03Å; S214-P344 WeakPolarHBondContact CB-O 3.4Å |
| 215 | V | 91.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -77.3 | -29.3 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | F171 H176 M211 P212 K213 L218 L346 | F171-V215 HydrophobicContact CD1-CG1 4.43Å; F171-V215 HydrophobicContact CD1-CG2 4.17Å; F171-V215 HydrophobicContact CE1-CG1 3.62Å; F171-V215 HydrophobicContact CE1-CG2 4.12Å; F171-V215 HydrophobicContact CZ-CG1 3.8Å; H176-V215 HydrophobicContact CB-CG2 4.28Å; M211-V215 HydrophobicContact CE-CB 4.36Å; M211-V215 HydrophobicContact CE-CG1 3.82Å; P212-V215 HydrophobicContact CB-CG2 4.19Å; P212-V215 HydrophobicContact CG-CG2 4.43Å; P212-V215 WeakPolarHBondContact O-CB 3.39Å; P212-V215 PolarHBondContact O-N 3.09Å; P212-V215 VanDerWaalsContact O-N 3.11Å; K213-V215 PolarHBondContact O-N 2.97Å; V215-L218 HydrophobicContact CG1-CD2 3.57Å; V215-L218 HydrophobicContact CG1-CG 4.45Å; V215-L346 HydrophobicContact CG1-CD1 4.2Å; V215-L346 WeakPolarHBondContact O-CD1 3.27Å |
| 216 | G | 92.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 35 Ų | 35 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | trans | 65.6 | -170.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K213 L218 | K213-G216 PolarHBondContact O-N 3.46Å; G216-L218 PolarHBondContact O-N 3.24Å | ||
| 217 | P | 95.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | trans | -66.8 | 131.1 | -178.3 | -21 | 33 | 0 | 0 | 0 | 112.1 | V252 G256 L258 Y262 K349 | P217-V252 VanDerWaalsContact CB-O 3.26Å; P217-V252 WeakPolarHBondContact CB-O 3.36Å; P217-V252 WeakPolarHBondContact CG-O 3.23Å; P217-G256 WeakPolarHBondContact CG-O 3.32Å; P217-L258 HydrophobicContact CB-CD2 4.45Å; P217-L258 HydrophobicContact CG-CD2 3.95Å; P217-Y262 HydrophobicContact CB-CD2 4.43Å; P217-Y262 HydrophobicContact CB-CE2 4.39Å; P217-K349 PolarHBondContact O-NZ 3.17Å | ||
| 218 | L | 97.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.3 | 176.5 | -60 | -177.6 | 0 | 0 | 0 | 111 | F171 L180 M211 V215 G216 F220 V261 Y262 T305 | F171-L218 HydrophobicContact CE2-CD2 4.28Å; F171-L218 HydrophobicContact CZ-CD2 3.66Å; L180-L218 HydrophobicContact CD1-CD1 4.43Å; M211-L218 HydrophobicContact CE-CD1 3.73Å; M211-L218 HydrophobicContact CE-CD2 4.47Å; M211-L218 HydrophobicContact CE-CG 4.19Å; V215-L218 HydrophobicContact CG1-CD2 3.57Å; V215-L218 HydrophobicContact CG1-CG 4.45Å; G216-L218 PolarHBondContact O-N 3.24Å; L218-F220 HydrophobicContact CB-CE2 3.86Å; L218-F220 HydrophobicContact CD1-CE2 4.43Å; L218-V261 HydrophobicContact CB-CG1 4.16Å; L218-V261 HydrophobicContact CD1-CG1 4.16Å; L218-Y262 PolarHBondContact O-N 3.36Å; L218-T305 HydrophobicContact CD2-CG2 3.85Å |
| 219 | T | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.8 | -178.8 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | L249 V252 Y262 Y303 T305 C306 | T219-L249 HydrophobicContact CG2-CD1 3.88Å; T219-V252 HydrophobicContact CG2-CG2 4.22Å; T219-Y262 CarbonylContact C-O 3.52Å; T219-Y262 WeakPolarHBondContact CA-O 3.33Å; T219-Y303 WeakPolarHBondContact CB-O 3.36Å; T219-Y303 PolarHBondContact OG1-O 3.16Å; T219-T305 PolarHBondContact N-OG1 2.76Å; T219-T305 WeakPolarHBondContact O-CA 3.18Å; T219-T305 VanDerWaalsContact O-CB 3.24Å; T219-T305 WeakPolarHBondContact O-CB 3.48Å; T219-T305 PolarHBondContact O-N 3.2Å; T219-T305 PolarHBondContact OG1-N 3.38Å; T219-T305 PolarHBondContact OG1-OG1 3.12Å; T219-C306 PolarHBondContact O-N 2.91Å |
| 220 | F | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126 | -178.8 | -68.6 | -103.2 | 0 | 0 | 0 | 109.6 | M160 L164 L167 L218 F222 F236 V261 Y262 G263 T264 C306 I308 | M160-F220 HydrophobicContact CE-CD1 3.9Å; M160-F220 HydrophobicContact CE-CE1 3.97Å; L164-F220 HydrophobicContact CD2-CE1 3.95Å; L164-F220 HydrophobicContact CD2-CZ 4.02Å; L167-F220 HydrophobicContact CD1-CE1 3.66Å; L167-F220 HydrophobicContact CD1-CZ 3.8Å; L218-F220 HydrophobicContact CB-CE2 3.86Å; L218-F220 HydrophobicContact CD1-CE2 4.43Å; F220-F222 HydrophobicContact CB-CE2 4.02Å; F220-F222 HydrophobicContact CB-CZ 4.24Å; F220-F236 HydrophobicContact CB-CD2 4.41Å; F220-F236 HydrophobicContact CB-CE2 3.82Å; F220-F236 HydrophobicContact CB-CZ 4.13Å; F220-F236 HydrophobicContact CD1-CD2 4.45Å; F220-F236 HydrophobicContact CD1-CE2 4.24Å; F220-F236 HydrophobicContact CD2-CD2 4.38Å; F220-F236 AromaticContact CD2-CE2 3.45Å; F220-F236 HydrophobicContact CD2-CE2 3.45Å; F220-F236 VanDerWaalsContact CD2-CE2 3.45Å; F220-F236 HydrophobicContact CD2-CZ 4.1Å; F220-F236 HydrophobicContact CE2-CE2 4.03Å; F220-F236 HydrophobicContact CG-CD2 4.18Å; F220-F236 AromaticContact CG-CE2 3.58Å; F220-F236 HydrophobicContact CG-CE2 3.58Å; F220-F236 HydrophobicContact CG-CZ 4.29Å; F220-V261 HydrophobicContact CD2-CB 4.39Å; F220-V261 HydrophobicContact CE2-CB 4.16Å; F220-V261 HydrophobicContact CE2-CG1 4.29Å; F220-Y262 PolarHBondContact N-O 2.96Å; F220-G263 CarbonylContact O-C 3.48Å; F220-G263 WeakPolarHBondContact O-CA 3.34Å; F220-T264 PolarHBondContact O-N 3.24Å; F220-C306 WeakPolarHBondContact CA-O 3.23Å; F220-C306 HydrophobicContact CD1-CB 3.67Å; F220-C306 HydrophobicContact CE1-CB 3.74Å; F220-C306 HydrophobicContact CG-CB 4.38Å; F220-I308 HydrophobicContact CB-CD1 4.17Å; F220-I308 HydrophobicContact CD1-CD1 3.83Å |
| 221 | V | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.9 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | L249 T264 L266 F296 I300 T304 C306 L307 I308 | V221-L249 HydrophobicContact CG2-CD1 4.46Å; V221-L249 HydrophobicContact CG2-CD2 3.84Å; V221-T264 WeakPolarHBondContact CA-O 3.49Å; V221-L266 HydrophobicContact CG1-CD1 3.59Å; V221-L266 HydrophobicContact CG1-CG 3.84Å; V221-F296 HydrophobicContact CG1-CE2 4.09Å; V221-I300 HydrophobicContact CG1-CG2 4.03Å; V221-I300 HydrophobicContact CG2-CG2 4Å; V221-T304 HydrophobicContact CB-CG2 3.85Å; V221-T304 HydrophobicContact CG2-CG2 3.73Å; V221-T304 VanDerWaalsContact CG2-OG1 3.28Å; V221-T304 WeakPolarHBondContact CG2-OG1 3.23Å; V221-C306 PolarHBondContact N-O 2.62Å; V221-L307 HydrophobicContact CB-CD1 4.21Å; V221-L307 HydrophobicContact CG1-CD1 4.01Å; V221-L307 WeakPolarHBondContact O-CD1 3.44Å; V221-I308 PolarHBondContact O-N 3.26Å |
| 222 | F | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.9 | 178.1 | -56.7 | -92.1 | 0 | 0 | 0 | 109.2 | M160 F220 A232 Q233 F236 F243 T264 V265 L266 I308 | M160-F222 HydrophobicContact SD-CE1 3.99Å; M160-F222 HydrophobicContact SD-CZ 4.32Å; F220-F222 HydrophobicContact CB-CE2 4.02Å; F220-F222 HydrophobicContact CB-CZ 4.24Å; F222-A232 HydrophobicContact CD1-CB 3.94Å; F222-A232 HydrophobicContact CE1-CB 3.8Å; F222-Q233 HydrophobicContact CD1-CG 4.11Å; F222-Q233 HydrophobicContact CD2-CG 4.3Å; F222-Q233 HydrophobicContact CE1-CG 4.27Å; F222-Q233 HydrophobicContact CE2-CG 4.47Å; F222-Q233 HydrophobicContact CG-CG 4.14Å; F222-Q233 HydrophobicContact CZ-CG 4.46Å; F222-F236 HydrophobicContact CE1-CB 4.44Å; F222-F236 HydrophobicContact CE2-CD1 4.05Å; F222-F236 HydrophobicContact CE2-CE1 4.3Å; F222-F236 HydrophobicContact CE2-CG 4.18Å; F222-F236 HydrophobicContact CZ-CB 3.75Å; F222-F236 AromaticContact CZ-CD1 3.98Å; F222-F236 HydrophobicContact CZ-CD1 3.98Å; F222-F236 HydrophobicContact CZ-CD2 4.06Å; F222-F236 AromaticContact CZ-CG 3.66Å; F222-F236 HydrophobicContact CZ-CG 3.66Å; F222-F243 HydrophobicContact CD2-CE1 4.29Å; F222-F243 HydrophobicContact CE2-CE1 4.2Å; F222-F243 HydrophobicContact CE2-CZ 4.38Å; F222-T264 PolarHBondContact N-O 2.8Å; F222-V265 HydrophobicContact CB-CG2 4.39Å; F222-V265 HydrophobicContact CD2-CG2 4.47Å; F222-V265 CarbonylContact O-C 3.49Å; F222-V265 WeakPolarHBondContact O-CA 3.31Å; F222-L266 PolarHBondContact O-N 3.02Å; F222-I308 WeakPolarHBondContact CA-O 3.26Å; F222-I308 HydrophobicContact CD1-CB 3.75Å; F222-I308 HydrophobicContact CD1-CD1 4.22Å; F222-I308 HydrophobicContact CD1-CG1 4.17Å; F222-I308 HydrophobicContact CD1-CG2 3.93Å; F222-I308 HydrophobicContact CE1-CB 4.09Å; F222-I308 HydrophobicContact CE1-CD1 3.89Å; F222-I308 HydrophobicContact CE1-CG1 3.99Å; F222-I308 HydrophobicContact CE1-CG2 4.31Å; F222-I308 HydrophobicContact CG-CB 4.49Å; F222-I308 HydrophobicContact CZ-CD1 4.17Å |
| 223 | T | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.4 | 175.9 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | L266 F296 L307 I308 N309 G310 I311 L320 | T223-L266 HydrophobicContact CG2-CD1 4.35Å; T223-F296 HydrophobicContact CG2-CE2 4.33Å; T223-L307 HydrophobicContact CG2-CD1 3.69Å; T223-I308 PolarHBondContact N-O 2.98Å; T223-N309 VanDerWaalsContact OG1-CA 3.23Å; T223-N309 WeakPolarHBondContact OG1-CA 3.44Å; T223-N309 PolarHBondContact OG1-OD1 3.1Å; T223-G310 PolarHBondContact O-N 3.47Å; T223-G310 PolarHBondContact OG1-N 3Å; T223-I311 VanDerWaalsContact CB-CG2 3.49Å; T223-I311 WeakPolarHBondContact OG1-CG2 3.32Å; T223-L320 HydrophobicContact CG2-CD1 3.94Å |
| 224 | G | 87.1 | Confident | 94 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | trans | 81.3 | 157.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S229 L266 | G224-S229 WeakPolarHBondContact O-CB 3.41Å; G224-S229 PolarHBondContact O-OG 2.67Å; G224-L266 PolarHBondContact N-O 3.31Å | ||
| 225 | T | 86.3 | Confident | 94.4 | Very high | 83 Ų | 83 | 25.2 Ų | 25.2 | 51% | 0.509 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -114.3 | 9.5 | -178 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | K230 V265 S267 | T225-K230 WeakPolarHBondContact O-CE 3.48Å; T225-V265 HydrophobicContact CG2-CG1 4.32Å; T225-S267 VanDerWaalsContact CG2-OG 3.25Å; T225-S267 WeakPolarHBondContact CG2-OG 3.42Å |
| 226 | G | 87.8 | Confident | 94.7 | Very high | 40 Ų | 40 | 25 Ų | 25 | 41% | 0.412 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -78.7 | -173.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V228 S229 K230 | G226-V228 VanDerWaalsContact C-N 3.27Å; G226-V228 PolarHBondContact O-N 3.03Å; G226-S229 PolarHBondContact O-N 2.74Å; G226-K230 WeakPolarHBondContact O-CG 3.42Å; G226-K230 PolarHBondContact O-N 3.22Å |
| 227 | N | 90.5 | Very high | 95 | Very high | 67 Ų | 67 | 28.5 Ų | 28.5 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.2 | -33.1 | -176.1 | -70.8 | -20.6 | 0 | 0 | 0 | 113.4 | K153 K230 G231 | K153-N227 WeakPolarHBondContact CA-O 3.34Å; K153-N227 HydrophobicContact CB-CB 4.32Å; N227-K230 PolarHBondContact O-N 2.94Å; N227-G231 PolarHBondContact O-N 2.79Å |
| 228 | V | 92.4 | Very high | 95 | Very high | 28 Ų | 28 | 28.8 Ų | 28.8 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -56.5 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | G152 G156 G226 K230 G231 A232 I356 | G152-V228 VanDerWaalsContact O-CA 3.27Å; G152-V228 WeakPolarHBondContact O-CA 2.97Å; G152-V228 WeakPolarHBondContact O-CG2 3.34Å; G156-V228 VanDerWaalsContact CA-O 3.24Å; G156-V228 WeakPolarHBondContact CA-O 3.46Å; G226-V228 VanDerWaalsContact C-N 3.27Å; G226-V228 PolarHBondContact O-N 3.03Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 2.8Å; V228-G231 PolarHBondContact O-N 3.46Å; V228-A232 PolarHBondContact O-N 3.49Å; V228-I356 HydrophobicContact CG1-CB 3.83Å; V228-I356 HydrophobicContact CG1-CD1 3.84Å; V228-I356 HydrophobicContact CG1-CG1 4.43Å; V228-I356 HydrophobicContact CG1-CG2 3.43Å; V228-I356 VanDerWaalsContact CG1-CG2 3.43Å; V228-I356 HydrophobicContact CG2-CG2 4.42Å |
| 229 | S | 94.8 | Very high | 95 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | G224 G226 G231 A232 Q233 | G224-S229 WeakPolarHBondContact O-CB 3.41Å; G224-S229 PolarHBondContact O-OG 2.67Å; G226-S229 PolarHBondContact O-N 2.74Å; S229-G231 PolarHBondContact O-N 3.38Å; S229-A232 PolarHBondContact O-N 3.33Å; S229-Q233 WeakPolarHBondContact O-CB 3.3Å; S229-Q233 WeakPolarHBondContact O-CG 3.22Å; S229-Q233 PolarHBondContact O-N 2.89Å; S229-Q233 PolarHBondContact O-NE2 3.43Å; S229-Q233 PolarHBondContact OG-NE2 3.32Å |
| 230 | K | 95.4 | Very high | 95 | Very high | 113 Ų | 113 | 30.5 Ų | 30.5 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 176 | -68.6 | 176.3 | -177.1 | 177.1 | 0 | 112.8 | T225 G226 N227 V228 Q233 E234 | T225-K230 WeakPolarHBondContact O-CE 3.48Å; G226-K230 WeakPolarHBondContact O-CG 3.42Å; G226-K230 PolarHBondContact O-N 3.22Å; N227-K230 PolarHBondContact O-N 2.94Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 2.8Å; K230-Q233 PolarHBondContact O-N 2.86Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 2.97Å |
| 231 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K153 V157 N227 V228 S229 E234 M235 | K153-G231 WeakPolarHBondContact O-CA 3.32Å; V157-G231 VanDerWaalsContact CG2-O 3.32Å; V157-G231 WeakPolarHBondContact CG2-O 3.37Å; N227-G231 PolarHBondContact O-N 2.79Å; V228-G231 PolarHBondContact O-N 3.46Å; S229-G231 PolarHBondContact O-N 3.38Å; G231-E234 PolarHBondContact O-N 2.98Å; G231-M235 PolarHBondContact O-N 3.22Å |
| 232 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G156 M160 F222 V228 S229 E234 M235 F236 I308 | G156-A232 WeakPolarHBondContact O-CA 3.47Å; M160-A232 HydrophobicContact CB-CB 4.03Å; M160-A232 WeakPolarHBondContact CG-O 3.41Å; F222-A232 HydrophobicContact CD1-CB 3.94Å; F222-A232 HydrophobicContact CE1-CB 3.8Å; V228-A232 PolarHBondContact O-N 3.49Å; S229-A232 PolarHBondContact O-N 3.33Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.32Å; A232-M235 PolarHBondContact O-N 3.35Å; A232-F236 PolarHBondContact O-N 3.37Å; A232-I308 HydrophobicContact CB-CG2 3.84Å |
| 233 | Q | 97.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.8 | -71.1 | 169.8 | 53.4 | 0 | 0 | 112.5 | F222 S229 K230 M235 F236 N237 F243 V265 | F222-Q233 HydrophobicContact CD1-CG 4.11Å; F222-Q233 HydrophobicContact CD2-CG 4.3Å; F222-Q233 HydrophobicContact CE1-CG 4.27Å; F222-Q233 HydrophobicContact CE2-CG 4.47Å; F222-Q233 HydrophobicContact CG-CG 4.14Å; F222-Q233 HydrophobicContact CZ-CG 4.46Å; S229-Q233 WeakPolarHBondContact O-CB 3.3Å; S229-Q233 WeakPolarHBondContact O-CG 3.22Å; S229-Q233 PolarHBondContact O-N 2.89Å; S229-Q233 PolarHBondContact O-NE2 3.43Å; S229-Q233 PolarHBondContact OG-NE2 3.32Å; K230-Q233 PolarHBondContact O-N 2.86Å; Q233-M235 VanDerWaalsContact C-N 3.27Å; Q233-M235 PolarHBondContact O-N 3.12Å; Q233-F236 PolarHBondContact O-N 3.32Å; Q233-N237 WeakPolarHBondContact O-CB 3.5Å; Q233-N237 PolarHBondContact O-N 3.06Å; Q233-N237 PolarHBondContact O-ND2 2.78Å; Q233-F243 HydrophobicContact CB-CZ 4.43Å; Q233-F243 HydrophobicContact CG-CE1 4.31Å; Q233-F243 HydrophobicContact CG-CZ 4.05Å; Q233-V265 HydrophobicContact CG-CG2 4.43Å |
| 234 | E | 95.7 | Very high | 95 | Very high | 97 Ų | 97 | 40 Ų | 40 | 45% | 0.453 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.3 | -40.9 | 175.3 | -78.4 | 177.2 | -160.8 | 0 | 0 | 112.1 | K153 K230 G231 A232 | K153-E234 VanDerWaalsContact CE-CD 3.45Å; K153-E234 VanDerWaalsContact CE-OE1 3.24Å; K153-E234 WeakPolarHBondContact CE-OE1 3.43Å; K153-E234 WeakPolarHBondContact CE-OE2 3.36Å; K153-E234 IonicContact NZ-OE1 2.8Å; K153-E234 PolarHBondContact NZ-OE1 2.57Å; K153-E234 IonicContact NZ-OE2 3.1Å; K153-E234 PolarHBondContact NZ-OE2 3.34Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 2.97Å; G231-E234 PolarHBondContact O-N 2.98Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.32Å |
| 235 | M | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.4 | -40 | 175.1 | -173.4 | 60.1 | 60.4 | 0 | 0 | 112 | V157 M160 I161 A195 V196 V199 G231 A232 Q233 N237 A238 | V157-M235 HydrophobicContact CG1-CE 3.75Å; M160-M235 HydrophobicContact CB-CB 4Å; M160-M235 HydrophobicContact CB-CG 4.26Å; M160-M235 HydrophobicContact CG-CB 3.84Å; M160-M235 HydrophobicContact CG-CG 3.99Å; I161-M235 HydrophobicContact CD1-CE 3.71Å; I161-M235 HydrophobicContact CG1-CE 3.67Å; I161-M235 HydrophobicContact CG1-CG 3.93Å; I161-M235 HydrophobicContact CG1-SD 4.04Å; A195-M235 HydrophobicContact CB-CE 4.32Å; V196-M235 HydrophobicContact CG2-CE 3.57Å; V196-M235 HydrophobicContact CG2-SD 3.98Å; V199-M235 HydrophobicContact CB-SD 4.06Å; V199-M235 HydrophobicContact CG1-SD 4.4Å; V199-M235 HydrophobicContact CG2-CG 4.24Å; V199-M235 HydrophobicContact CG2-SD 3.6Å; V199-M235 VanDerWaalsContact CG2-SD 3.6Å; G231-M235 PolarHBondContact O-N 3.22Å; A232-M235 PolarHBondContact O-N 3.35Å; Q233-M235 VanDerWaalsContact C-N 3.27Å; Q233-M235 PolarHBondContact O-N 3.12Å; M235-N237 VanDerWaalsContact C-N 3.29Å; M235-N237 PolarHBondContact O-N 3.47Å; M235-A238 VanDerWaalsContact O-CB 3.25Å; M235-A238 WeakPolarHBondContact O-CB 3.27Å; M235-A238 PolarHBondContact O-N 3.48Å; M235-A238 VanDerWaalsContact O-N 3.09Å |
| 236 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 176.5 | -178.6 | -108.3 | 0 | 0 | 0 | 112.9 | M160 F220 F222 A232 Q233 A238 L239 C241 F243 V261 | M160-F236 HydrophobicContact CE-CB 3.88Å; M160-F236 HydrophobicContact CE-CD2 3.55Å; M160-F236 HydrophobicContact CE-CG 4.16Å; M160-F236 HydrophobicContact SD-CB 4.49Å; F220-F236 HydrophobicContact CB-CD2 4.41Å; F220-F236 HydrophobicContact CB-CE2 3.82Å; F220-F236 HydrophobicContact CB-CZ 4.13Å; F220-F236 HydrophobicContact CD1-CD2 4.45Å; F220-F236 HydrophobicContact CD1-CE2 4.24Å; F220-F236 HydrophobicContact CD2-CD2 4.38Å; F220-F236 AromaticContact CD2-CE2 3.45Å; F220-F236 HydrophobicContact CD2-CE2 3.45Å; F220-F236 VanDerWaalsContact CD2-CE2 3.45Å; F220-F236 HydrophobicContact CD2-CZ 4.1Å; F220-F236 HydrophobicContact CE2-CE2 4.03Å; F220-F236 HydrophobicContact CG-CD2 4.18Å; F220-F236 AromaticContact CG-CE2 3.58Å; F220-F236 HydrophobicContact CG-CE2 3.58Å; F220-F236 HydrophobicContact CG-CZ 4.29Å; F222-F236 HydrophobicContact CE1-CB 4.44Å; F222-F236 HydrophobicContact CE2-CD1 4.05Å; F222-F236 HydrophobicContact CE2-CE1 4.3Å; F222-F236 HydrophobicContact CE2-CG 4.18Å; F222-F236 HydrophobicContact CZ-CB 3.75Å; F222-F236 AromaticContact CZ-CD1 3.98Å; F222-F236 HydrophobicContact CZ-CD1 3.98Å; F222-F236 HydrophobicContact CZ-CD2 4.06Å; F222-F236 AromaticContact CZ-CG 3.66Å; F222-F236 HydrophobicContact CZ-CG 3.66Å; A232-F236 PolarHBondContact O-N 3.37Å; Q233-F236 PolarHBondContact O-N 3.32Å; F236-A238 PolarHBondContact O-N 3.22Å; F236-L239 HydrophobicContact CD2-CD1 4.03Å; F236-L239 HydrophobicContact CE2-CD1 4.3Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 2.99Å; F236-C241 HydrophobicContact CD1-CB 3.92Å; F236-C241 HydrophobicContact CE1-CB 3.38Å; F236-C241 HydrophobicContact CE2-CB 4.48Å; F236-C241 HydrophobicContact CZ-CB 3.73Å; F236-F243 HydrophobicContact CD1-CE1 4.47Å; F236-F243 AromaticContact CD1-CE2 3.75Å; F236-F243 HydrophobicContact CD1-CE2 3.75Å; F236-F243 AromaticContact CD1-CZ 3.56Å; F236-F243 HydrophobicContact CD1-CZ 3.56Å; F236-F243 HydrophobicContact CE1-CE1 4.46Å; F236-F243 AromaticContact CE1-CE2 3.88Å; F236-F243 HydrophobicContact CE1-CE2 3.88Å; F236-F243 AromaticContact CE1-CZ 3.84Å; F236-F243 HydrophobicContact CE1-CZ 3.84Å; F236-V261 HydrophobicContact CD2-CG2 4.42Å; F236-V261 HydrophobicContact CE2-CB 4.14Å; F236-V261 HydrophobicContact CE2-CG2 3.51Å; F236-V261 HydrophobicContact CZ-CB 4.24Å; F236-V261 HydrophobicContact CZ-CG2 3.61Å |
| 237 | N | 97.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.1 | 175.8 | -76.3 | -36.5 | 0 | 0 | 0 | 114.1 | Q233 M235 L239 F243 | Q233-N237 WeakPolarHBondContact O-CB 3.5Å; Q233-N237 PolarHBondContact O-N 3.06Å; Q233-N237 PolarHBondContact O-ND2 2.78Å; M235-N237 VanDerWaalsContact C-N 3.29Å; M235-N237 PolarHBondContact O-N 3.47Å; N237-L239 VanDerWaalsContact C-N 3.31Å; N237-F243 WeakPolarHBondContact OD1-CE2 3.5Å |
| 238 | A | 96.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 47 Ų | 47 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -15.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | V196 V199 R200 M235 F236 | V196-A238 HydrophobicContact CG1-CB 4.21Å; V199-A238 HydrophobicContact CB-CB 4.19Å; V199-A238 HydrophobicContact CG1-CB 3.75Å; R200-A238 HydrophobicContact CG-CB 4.06Å; M235-A238 VanDerWaalsContact O-CB 3.25Å; M235-A238 WeakPolarHBondContact O-CB 3.27Å; M235-A238 PolarHBondContact O-N 3.48Å; M235-A238 VanDerWaalsContact O-N 3.09Å; F236-A238 PolarHBondContact O-N 3.22Å |
| 239 | L | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -83.8 | 162.6 | 170.2 | -62.8 | 171.3 | 0 | 0 | 0 | 110.5 | L164 V199 I206 F236 N237 C241 V261 | L164-L239 HydrophobicContact CD1-CD1 4.38Å; L164-L239 HydrophobicContact CD2-CD1 4.06Å; V199-L239 HydrophobicContact CG1-CD2 3.64Å; V199-L239 HydrophobicContact CG1-CG 3.69Å; I206-L239 HydrophobicContact CD1-CD2 4.16Å; F236-L239 HydrophobicContact CD2-CD1 4.03Å; F236-L239 HydrophobicContact CE2-CD1 4.3Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 2.99Å; N237-L239 VanDerWaalsContact C-N 3.31Å; L239-C241 PolarHBondContact O-N 3.11Å; L239-V261 HydrophobicContact CB-CG2 3.71Å; L239-V261 HydrophobicContact CD1-CG2 3.97Å; L239-V261 HydrophobicContact CG-CG2 4.48Å |
| 240 | P | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.7 | 77.4 | 168.9 | 31.4 | -37.9 | 0 | 0 | 0 | 109.8 | G203 I206 K260 V261 | G203-P240 VanDerWaalsContact O-CD 3.29Å; G203-P240 WeakPolarHBondContact O-CD 3.42Å; G203-P240 VanDerWaalsContact O-CG 3.32Å; G203-P240 WeakPolarHBondContact O-CG 3.4Å; I206-P240 HydrophobicContact CB-CG 3.99Å; I206-P240 HydrophobicContact CG2-CG 3.73Å; P240-K260 CarbonylContact O-C 3.56Å; P240-K260 WeakPolarHBondContact O-CA 3.48Å; P240-K260 VanDerWaalsContact O-CB 3.27Å; P240-K260 WeakPolarHBondContact O-CB 3.27Å; P240-V261 PolarHBondContact O-N 3.35Å |
| 241 | C | 97.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 153.2 | -170.8 | 69.9 | 0 | 0 | 0 | 0 | 114 | F236 L239 V261 | F236-C241 HydrophobicContact CD1-CB 3.92Å; F236-C241 HydrophobicContact CE1-CB 3.38Å; F236-C241 HydrophobicContact CE2-CB 4.48Å; F236-C241 HydrophobicContact CZ-CB 3.73Å; L239-C241 PolarHBondContact O-N 3.11Å; C241-V261 CarbonylContact C-O 3.39Å; C241-V261 WeakPolarHBondContact CA-O 3.26Å; C241-V261 HydrophobicContact CB-CG2 3.75Å |
| 242 | E | 98.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123 | 170.2 | -170.7 | 172.1 | 132.5 | 0 | 0 | 109.1 | V244 K260 V261 Y262 G263 | E242-V244 HydrophobicContact CG-CG1 4.43Å; E242-K260 HydrophobicContact CB-CD 4.47Å; E242-K260 IonicContact OE2-NZ 3.22Å; E242-K260 PolarHBondContact OE2-NZ 2.91Å; E242-V261 PolarHBondContact N-O 2.87Å; E242-Y262 HydrophobicContact CB-CD1 4.1Å; E242-Y262 HydrophobicContact CB-CE1 4.09Å; E242-Y262 HydrophobicContact CG-CE1 4.36Å; E242-Y262 CarbonylContact O-C 3.55Å; E242-Y262 VanDerWaalsContact O-CA 3.32Å; E242-Y262 WeakPolarHBondContact O-CA 3.43Å; E242-G263 PolarHBondContact O-N 3.29Å |
| 243 | F | 98.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.7 | 174.6 | -82.3 | -91.8 | 0 | 0 | 0 | 110.3 | F222 Q233 F236 N237 G263 V265 | F222-F243 HydrophobicContact CD2-CE1 4.29Å; F222-F243 HydrophobicContact CE2-CE1 4.2Å; F222-F243 HydrophobicContact CE2-CZ 4.38Å; Q233-F243 HydrophobicContact CB-CZ 4.43Å; Q233-F243 HydrophobicContact CG-CE1 4.31Å; Q233-F243 HydrophobicContact CG-CZ 4.05Å; F236-F243 HydrophobicContact CD1-CE1 4.47Å; F236-F243 AromaticContact CD1-CE2 3.75Å; F236-F243 HydrophobicContact CD1-CE2 3.75Å; F236-F243 AromaticContact CD1-CZ 3.56Å; F236-F243 HydrophobicContact CD1-CZ 3.56Å; F236-F243 HydrophobicContact CE1-CE1 4.46Å; F236-F243 AromaticContact CE1-CE2 3.88Å; F236-F243 HydrophobicContact CE1-CE2 3.88Å; F236-F243 AromaticContact CE1-CZ 3.84Å; F236-F243 HydrophobicContact CE1-CZ 3.84Å; N237-F243 WeakPolarHBondContact OD1-CE2 3.5Å; F243-G263 CarbonylContact C-O 3.6Å; F243-G263 VanDerWaalsContact CA-O 3.23Å; F243-G263 WeakPolarHBondContact CA-O 3.33Å; F243-G263 WeakPolarHBondContact CD1-O 3.42Å; F243-V265 HydrophobicContact CD1-CG2 4.13Å; F243-V265 HydrophobicContact CE1-CG2 3.76Å |
| 244 | V | 97.7 | Very high | 96.4 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | trans | -127.6 | 154.7 | -179.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | E242 E248 V252 Y262 G263 T264 | E242-V244 HydrophobicContact CG-CG1 4.43Å; V244-E248 HydrophobicContact CB-CB 4.1Å; V244-E248 HydrophobicContact CG2-CB 4.41Å; V244-V252 HydrophobicContact CG1-CG1 4.18Å; V244-V252 HydrophobicContact CG2-CG2 4Å; V244-Y262 HydrophobicContact CG1-CD1 3.96Å; V244-Y262 HydrophobicContact CG1-CE1 4.48Å; V244-G263 PolarHBondContact N-O 2.84Å; V244-T264 WeakPolarHBondContact CG2-OG1 3.38Å; V244-T264 PolarHBondContact O-OG1 3.23Å; V244-T264 VanDerWaalsContact O-OG1 3.08Å | ||
| 245 | E | 96.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | trans | -69.8 | 152.8 | 177.3 | -70.1 | -62.6 | 147 | 0 | 0 | 111.2 | H247 E248 L249 | E245-H247 WeakPolarHBondContact CB-CE1 3.36Å; E245-H247 WeakPolarHBondContact CB-ND1 3.36Å; E245-H247 PolarHBondContact O-N 3.04Å; E245-E248 HydrophobicContact CB-CG 4.31Å; E245-E248 WeakPolarHBondContact CB-OE2 3.28Å; E245-E248 PolarHBondContact N-OE2 2.93Å; E245-E248 WeakPolarHBondContact O-CB 3.31Å; E245-E248 PolarHBondContact O-N 3.06Å; E245-L249 PolarHBondContact O-N 2.64Å | ||
| 246 | P | 94.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.1 | -174.9 | -28.3 | 37.1 | 0 | 0 | 0 | 115.1 | E248 L249 T264 L266 H270 I300 | P246-E248 VanDerWaalsContact C-N 3.32Å; P246-L249 WeakPolarHBondContact O-CB 3.25Å; P246-T264 HydrophobicContact CB-CG2 4.1Å; P246-T264 HydrophobicContact CG-CG2 3.72Å; P246-L266 HydrophobicContact CB-CD2 3.91Å; P246-L266 HydrophobicContact CG-CD2 3.65Å; P246-H270 HydrophobicContact CG-CB 4.36Å; P246-I300 HydrophobicContact CB-CD1 3.95Å |
| 247 | H | 94 | Very high | 96.1 | Very high | 152 Ų | 152 | 60.9 Ų | 60.9 | 70% | 0.704 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.5 | 178 | 65.9 | -86.6 | 0 | 0 | 0 | 113.3 | E245 | E245-H247 WeakPolarHBondContact CB-CE1 3.36Å; E245-H247 WeakPolarHBondContact CB-ND1 3.36Å; E245-H247 PolarHBondContact O-N 3.04Å |
| 248 | E | 96.2 | Very high | 96 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -16.7 | 178 | -58.6 | 177.8 | 117 | 0 | 0 | 112 | V244 E245 P246 K250 E251 V252 | V244-E248 HydrophobicContact CB-CB 4.1Å; V244-E248 HydrophobicContact CG2-CB 4.41Å; E245-E248 HydrophobicContact CB-CG 4.31Å; E245-E248 WeakPolarHBondContact CB-OE2 3.28Å; E245-E248 PolarHBondContact N-OE2 2.93Å; E245-E248 WeakPolarHBondContact O-CB 3.31Å; E245-E248 PolarHBondContact O-N 3.06Å; P246-E248 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 3.11Å; E248-K250 VanDerWaalsContact O-N 3.12Å; E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 3.21Å; E248-V252 PolarHBondContact O-N 2.86Å; E248-V252 VanDerWaalsContact O-N 3.11Å |
| 249 | L | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.4 | -38.9 | -176 | -169.9 | 66 | 0 | 0 | 0 | 112.7 | T219 V221 E245 P246 E251 V252 S253 I300 | T219-L249 HydrophobicContact CG2-CD1 3.88Å; V221-L249 HydrophobicContact CG2-CD1 4.46Å; V221-L249 HydrophobicContact CG2-CD2 3.84Å; E245-L249 PolarHBondContact O-N 2.64Å; P246-L249 WeakPolarHBondContact O-CB 3.25Å; L249-E251 PolarHBondContact O-N 2.82Å; L249-V252 HydrophobicContact CD1-CG2 4.44Å; L249-V252 WeakPolarHBondContact O-CG2 3.35Å; L249-S253 WeakPolarHBondContact O-CB 3.3Å; L249-S253 PolarHBondContact O-N 3.48Å; L249-S253 PolarHBondContact O-OG 3.47Å; L249-I300 HydrophobicContact CD2-CG2 3.73Å |
| 250 | K | 95.7 | Very high | 96 | Very high | 104 Ų | 104 | 67.7 Ų | 67.7 | 45% | 0.452 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.4 | 177.4 | 172.8 | -171.3 | 175.7 | 0 | 112.5 | E248 S253 Y303 | E248-K250 PolarHBondContact O-N 3.11Å; E248-K250 VanDerWaalsContact O-N 3.12Å; K250-S253 PolarHBondContact O-OG 3.43Å; K250-Y303 HydrophobicContact CB-CD1 4.08Å; K250-Y303 HydrophobicContact CB-CD2 4.04Å; K250-Y303 HydrophobicContact CB-CE1 3.98Å; K250-Y303 HydrophobicContact CB-CE2 3.94Å; K250-Y303 HydrophobicContact CB-CG 4.1Å; K250-Y303 HydrophobicContact CD-CE1 4.03Å; K250-Y303 HydrophobicContact CD-CE2 4.22Å; K250-Y303 WeakPolarHBondContact CD-OH 3.46Å; K250-Y303 WeakPolarHBondContact CE-OH 3.28Å; K250-Y303 HydrophobicContact CG-CD1 4.04Å; K250-Y303 HydrophobicContact CG-CE1 3.54Å; K250-Y303 HydrophobicContact CG-CE2 4.17Å |
| 251 | E | 96.2 | Very high | 96 | Very high | 136 Ų | 136 | 66.2 Ų | 66.2 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71.5 | -53 | -179.1 | -175.3 | 174.6 | 170.9 | 0 | 0 | 110.4 | E248 L249 S253 K254 S255 | E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 3.21Å; L249-E251 PolarHBondContact O-N 2.82Å; E251-S253 VanDerWaalsContact C-N 3.26Å; E251-S253 PolarHBondContact O-N 2.82Å; E251-K254 PolarHBondContact O-N 3.02Å; E251-S255 PolarHBondContact O-N 3.5Å; E251-S255 PolarHBondContact O-OG 3.45Å |
| 252 | V | 96.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -30.5 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | P217 T219 V244 E248 L249 K254 G256 Y262 | P217-V252 VanDerWaalsContact CB-O 3.26Å; P217-V252 WeakPolarHBondContact CB-O 3.36Å; P217-V252 WeakPolarHBondContact CG-O 3.23Å; T219-V252 HydrophobicContact CG2-CG2 4.22Å; V244-V252 HydrophobicContact CG1-CG1 4.18Å; V244-V252 HydrophobicContact CG2-CG2 4Å; E248-V252 PolarHBondContact O-N 2.86Å; E248-V252 VanDerWaalsContact O-N 3.11Å; L249-V252 HydrophobicContact CD1-CG2 4.44Å; L249-V252 WeakPolarHBondContact O-CG2 3.35Å; V252-K254 PolarHBondContact O-N 3.26Å; V252-K254 VanDerWaalsContact O-N 3.13Å; V252-G256 WeakPolarHBondContact O-CA 3.14Å; V252-G256 PolarHBondContact O-N 3.4Å; V252-Y262 HydrophobicContact CB-CD1 3.83Å; V252-Y262 HydrophobicContact CB-CD2 4.36Å; V252-Y262 HydrophobicContact CB-CE1 3.98Å; V252-Y262 HydrophobicContact CB-CG 4.02Å; V252-Y262 HydrophobicContact CG1-CD1 3.89Å; V252-Y262 HydrophobicContact CG1-CE1 3.81Å; V252-Y262 HydrophobicContact CG2-CD1 4.09Å; V252-Y262 HydrophobicContact CG2-CG 4.07Å |
| 253 | S | 94.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -19.8 | 176.2 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | L249 K250 E251 K349 | L249-S253 WeakPolarHBondContact O-CB 3.3Å; L249-S253 PolarHBondContact O-N 3.48Å; L249-S253 PolarHBondContact O-OG 3.47Å; K250-S253 PolarHBondContact O-OG 3.43Å; E251-S253 VanDerWaalsContact C-N 3.26Å; E251-S253 PolarHBondContact O-N 2.82Å; S253-K349 PolarHBondContact O-NZ 3.05Å; S253-K349 VanDerWaalsContact O-NZ 3.15Å |
| 254 | K | 92.8 | Very high | 96.1 | Very high | 147 Ų | 147 | 57.9 Ų | 57.9 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -105.1 | -42.8 | -178.2 | -64.4 | -179 | -179.7 | -169.6 | 0 | 112.9 | E251 V252 | E251-K254 PolarHBondContact O-N 3.02Å; V252-K254 PolarHBondContact O-N 3.26Å; V252-K254 VanDerWaalsContact O-N 3.13Å |
| 255 | S | 93.8 | Very high | 96 | Very high | 89 Ų | 89 | 59 Ų | 59 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -126.4 | 13.8 | -170 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | E251 | E251-S255 PolarHBondContact O-N 3.5Å; E251-S255 PolarHBondContact O-OG 3.45Å |
| 256 | G | 94.6 | Very high | 96 | Very high | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | trans | -61 | 154.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P217 V252 L258 Y262 | P217-G256 WeakPolarHBondContact CG-O 3.32Å; V252-G256 WeakPolarHBondContact O-CA 3.14Å; V252-G256 PolarHBondContact O-N 3.4Å; G256-L258 PolarHBondContact O-N 3.28Å; G256-Y262 WeakPolarHBondContact CA-OH 3.47Å | ||
| 257 | D | 95.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | trans | -68.9 | 122.4 | 174.1 | -170.9 | -16.2 | 0 | 0 | 0 | 110 | R259 K260 Y262 | D257-R259 PolarHBondContact O-N 2.82Å; D257-R259 WeakPolarHBondContact OD1-CB 3.49Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.74Å; D257-R259 PolarHBondContact OD1-N 3.32Å; D257-R259 IonicContact OD1-NE 3.77Å; D257-R259 PolarHBondContact OD1-NE 3.39Å; D257-R259 IonicContact OD1-NH2 3.81Å; D257-R259 IonicContact OD2-CZ 2.9Å; D257-R259 IonicContact OD2-NE 2.79Å; D257-R259 PolarHBondContact OD2-NE 2.83Å; D257-R259 IonicContact OD2-NH2 2.73Å; D257-R259 PolarHBondContact OD2-NH2 2.91Å; D257-K260 PolarHBondContact O-N 3.47Å; D257-K260 VanDerWaalsContact O-N 3.16Å; D257-Y262 PolarHBondContact N-OH 3.43Å | ||
| 258 | L | 95.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.4 | -179.4 | -56.9 | -177.7 | 0 | 0 | 0 | 113.6 | K213 P217 G256 K260 | K213-L258 HydrophobicContact CB-CD1 4.36Å; K213-L258 HydrophobicContact CG-CD1 4.03Å; P217-L258 HydrophobicContact CB-CD2 4.45Å; P217-L258 HydrophobicContact CG-CD2 3.95Å; G256-L258 PolarHBondContact O-N 3.28Å; L258-K260 PolarHBondContact O-N 3.48Å |
| 259 | R | 97.1 | Very high | 95.5 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.1 | 173.8 | -60.8 | 172.3 | -63.9 | 174 | 5.4 | 113 | I206 S207 D257 | I206-R259 WeakPolarHBondContact O-CA 3.47Å; S207-R259 WeakPolarHBondContact CA-O 3.23Å; D257-R259 PolarHBondContact O-N 2.82Å; D257-R259 WeakPolarHBondContact OD1-CB 3.49Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.74Å; D257-R259 PolarHBondContact OD1-N 3.32Å; D257-R259 IonicContact OD1-NE 3.77Å; D257-R259 PolarHBondContact OD1-NE 3.39Å; D257-R259 IonicContact OD1-NH2 3.81Å; D257-R259 IonicContact OD2-CZ 2.9Å; D257-R259 IonicContact OD2-NE 2.79Å; D257-R259 PolarHBondContact OD2-NE 2.83Å; D257-R259 IonicContact OD2-NH2 2.73Å; D257-R259 PolarHBondContact OD2-NH2 2.91Å |
| 260 | K | 96.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -138.4 | 165.2 | -178.6 | -56.8 | -176.2 | -174.1 | 178.4 | 0 | 111.3 | P240 E242 D257 L258 | P240-K260 CarbonylContact O-C 3.56Å; P240-K260 WeakPolarHBondContact O-CA 3.48Å; P240-K260 VanDerWaalsContact O-CB 3.27Å; P240-K260 WeakPolarHBondContact O-CB 3.27Å; E242-K260 HydrophobicContact CB-CD 4.47Å; E242-K260 IonicContact OE2-NZ 3.22Å; E242-K260 PolarHBondContact OE2-NZ 2.91Å; D257-K260 PolarHBondContact O-N 3.47Å; D257-K260 VanDerWaalsContact O-N 3.16Å; L258-K260 PolarHBondContact O-N 3.48Å |
| 261 | V | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.1 | 168.4 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | I206 L218 F220 F236 L239 P240 C241 E242 | I206-V261 HydrophobicContact CD1-CG1 4.38Å; L218-V261 HydrophobicContact CB-CG1 4.16Å; L218-V261 HydrophobicContact CD1-CG1 4.16Å; F220-V261 HydrophobicContact CD2-CB 4.39Å; F220-V261 HydrophobicContact CE2-CB 4.16Å; F220-V261 HydrophobicContact CE2-CG1 4.29Å; F236-V261 HydrophobicContact CD2-CG2 4.42Å; F236-V261 HydrophobicContact CE2-CB 4.14Å; F236-V261 HydrophobicContact CE2-CG2 3.51Å; F236-V261 HydrophobicContact CZ-CB 4.24Å; F236-V261 HydrophobicContact CZ-CG2 3.61Å; L239-V261 HydrophobicContact CB-CG2 3.71Å; L239-V261 HydrophobicContact CD1-CG2 3.97Å; L239-V261 HydrophobicContact CG-CG2 4.48Å; P240-V261 PolarHBondContact O-N 3.35Å; C241-V261 CarbonylContact C-O 3.39Å; C241-V261 WeakPolarHBondContact CA-O 3.26Å; C241-V261 HydrophobicContact CB-CG2 3.75Å; E242-V261 PolarHBondContact N-O 2.87Å |
| 262 | Y | 98.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.6 | -175 | -67.7 | -87.7 | 0 | 0 | 0 | 110.9 | P217 L218 T219 F220 E242 V244 V252 G256 D257 | P217-Y262 HydrophobicContact CB-CD2 4.43Å; P217-Y262 HydrophobicContact CB-CE2 4.39Å; L218-Y262 PolarHBondContact O-N 3.36Å; T219-Y262 CarbonylContact C-O 3.52Å; T219-Y262 WeakPolarHBondContact CA-O 3.33Å; F220-Y262 PolarHBondContact N-O 2.96Å; E242-Y262 HydrophobicContact CB-CD1 4.1Å; E242-Y262 HydrophobicContact CB-CE1 4.09Å; E242-Y262 HydrophobicContact CG-CE1 4.36Å; E242-Y262 CarbonylContact O-C 3.55Å; E242-Y262 VanDerWaalsContact O-CA 3.32Å; E242-Y262 WeakPolarHBondContact O-CA 3.43Å; V244-Y262 HydrophobicContact CG1-CD1 3.96Å; V244-Y262 HydrophobicContact CG1-CE1 4.48Å; V252-Y262 HydrophobicContact CB-CD1 3.83Å; V252-Y262 HydrophobicContact CB-CD2 4.36Å; V252-Y262 HydrophobicContact CB-CE1 3.98Å; V252-Y262 HydrophobicContact CB-CG 4.02Å; V252-Y262 HydrophobicContact CG1-CD1 3.89Å; V252-Y262 HydrophobicContact CG1-CE1 3.81Å; V252-Y262 HydrophobicContact CG2-CD1 4.09Å; V252-Y262 HydrophobicContact CG2-CG 4.07Å; G256-Y262 WeakPolarHBondContact CA-OH 3.47Å; D257-Y262 PolarHBondContact N-OH 3.43Å |
| 263 | G | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F220 E242 F243 V244 | F220-G263 CarbonylContact O-C 3.48Å; F220-G263 WeakPolarHBondContact O-CA 3.34Å; E242-G263 PolarHBondContact O-N 3.29Å; F243-G263 CarbonylContact C-O 3.6Å; F243-G263 VanDerWaalsContact CA-O 3.23Å; F243-G263 WeakPolarHBondContact CA-O 3.33Å; F243-G263 WeakPolarHBondContact CD1-O 3.42Å; V244-G263 PolarHBondContact N-O 2.84Å |
| 264 | T | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.8 | 172.8 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | F220 V221 F222 V244 P246 L266 | F220-T264 PolarHBondContact O-N 3.24Å; V221-T264 WeakPolarHBondContact CA-O 3.49Å; F222-T264 PolarHBondContact N-O 2.8Å; V244-T264 WeakPolarHBondContact CG2-OG1 3.38Å; V244-T264 PolarHBondContact O-OG1 3.23Å; V244-T264 VanDerWaalsContact O-OG1 3.08Å; P246-T264 HydrophobicContact CB-CG2 4.1Å; P246-T264 HydrophobicContact CG-CG2 3.72Å; T264-L266 HydrophobicContact CG2-CD2 3.92Å |
| 265 | V | 97.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.1 | 178.6 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | F222 T225 Q233 F243 | F222-V265 HydrophobicContact CB-CG2 4.39Å; F222-V265 HydrophobicContact CD2-CG2 4.47Å; F222-V265 CarbonylContact O-C 3.49Å; F222-V265 WeakPolarHBondContact O-CA 3.31Å; T225-V265 HydrophobicContact CG2-CG1 4.32Å; Q233-V265 HydrophobicContact CG-CG2 4.43Å; F243-V265 HydrophobicContact CD1-CG2 4.13Å; F243-V265 HydrophobicContact CE1-CG2 3.76Å |
| 266 | L | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.1 | -179.9 | -57.6 | -176.4 | 0 | 0 | 0 | 112.4 | V221 F222 T223 G224 P246 T264 H270 F296 I300 | V221-L266 HydrophobicContact CG1-CD1 3.59Å; V221-L266 HydrophobicContact CG1-CG 3.84Å; F222-L266 PolarHBondContact O-N 3.02Å; T223-L266 HydrophobicContact CG2-CD1 4.35Å; G224-L266 PolarHBondContact N-O 3.31Å; P246-L266 HydrophobicContact CB-CD2 3.91Å; P246-L266 HydrophobicContact CG-CD2 3.65Å; T264-L266 HydrophobicContact CG2-CD2 3.92Å; L266-H270 HydrophobicContact CD2-CB 4.01Å; L266-F296 HydrophobicContact CD1-CD2 3.7Å; L266-F296 HydrophobicContact CD1-CE2 3.57Å; L266-I300 HydrophobicContact CD1-CG1 4.22Å; L266-I300 HydrophobicContact CD1-CG2 4.04Å; L266-I300 HydrophobicContact CD2-CD1 4.2Å |
| 267 | S | 91.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | trans | -84 | 163.5 | 155.3 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | T225 H269 H270 H271 | T225-S267 VanDerWaalsContact CG2-OG 3.25Å; T225-S267 WeakPolarHBondContact CG2-OG 3.42Å; S267-H269 VanDerWaalsContact C-N 3.27Å; S267-H269 WeakPolarHBondContact CB-ND1 3.41Å; S267-H269 PolarHBondContact O-N 2.81Å; S267-H270 PolarHBondContact N-ND1 3.31Å; S267-H270 WeakPolarHBondContact O-CB 3.06Å; S267-H270 PolarHBondContact O-N 3.12Å; S267-H270 PolarHBondContact O-ND1 3.06Å; S267-H271 PolarHBondContact O-CD2 3.2Å | ||
| 268 | R | 90.8 | Very high | 94.8 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 38% | 0.377 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -47.4 | -44.6 | 179.3 | -71.3 | -177.9 | -177.6 | 177.2 | -3.7 | 113.5 | H270 H271 L272 Y280 E286 | R268-H270 PolarHBondContact O-N 2.95Å; R268-H271 PolarHBondContact O-N 3.3Å; R268-L272 HydrophobicContact CB-CD1 3.94Å; R268-L272 HydrophobicContact CG-CD1 4.08Å; R268-L272 VanDerWaalsContact O-CB 3.31Å; R268-L272 WeakPolarHBondContact O-CB 3.48Å; R268-L272 PolarHBondContact O-N 3.04Å; R268-Y280 HydrophobicContact CB-CE1 4.22Å; R268-Y280 HydrophobicContact CB-CE2 4.02Å; R268-Y280 VanDerWaalsContact CB-OH 3.25Å; R268-Y280 WeakPolarHBondContact CB-OH 3.32Å; R268-Y280 VanDerWaalsContact CD-OH 3.28Å; R268-Y280 WeakPolarHBondContact CD-OH 3.47Å; R268-E286 IonicContact CZ-OE2 3.81Å; R268-E286 IonicContact NH1-OE2 2.76Å; R268-E286 PolarHBondContact NH1-OE2 2.74Å; R268-E286 IonicContact NH2-OE2 3.75Å |
| 269 | H | 91.9 | Very high | 94.7 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -17.2 | -176.5 | 70 | -90.7 | 0 | 0 | 0 | 115.2 | S267 Y280 | S267-H269 VanDerWaalsContact C-N 3.27Å; S267-H269 WeakPolarHBondContact CB-ND1 3.41Å; S267-H269 PolarHBondContact O-N 2.81Å; H269-Y280 VanDerWaalsContact CA-CD1 3.47Å; H269-Y280 HydrophobicContact CB-CD1 3.25Å; H269-Y280 HydrophobicContact CB-CE1 3.78Å; H269-Y280 HydrophobicContact CB-CG 3.84Å |
| 270 | H | 94.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76 | -29.8 | 178.8 | -62 | 131.8 | 0 | 0 | 0 | 112.7 | P246 L266 S267 R268 | P246-H270 HydrophobicContact CG-CB 4.36Å; L266-H270 HydrophobicContact CD2-CB 4.01Å; S267-H270 PolarHBondContact N-ND1 3.31Å; S267-H270 WeakPolarHBondContact O-CB 3.06Å; S267-H270 PolarHBondContact O-N 3.12Å; S267-H270 PolarHBondContact O-ND1 3.06Å; R268-H270 PolarHBondContact O-N 2.95Å |
| 271 | H | 93.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -126.9 | -22.7 | -172 | 70.5 | 95.1 | 0 | 0 | 0 | 113.7 | S267 R268 S294 R295 F296 L320 | S267-H271 PolarHBondContact O-CD2 3.2Å; R268-H271 PolarHBondContact O-N 3.3Å; H271-S294 PolarHBondContact ND1-OG 2.79Å; H271-S294 VanDerWaalsContact ND1-OG 3.14Å; H271-S294 CarbonylContact O-C 3.56Å; H271-S294 WeakPolarHBondContact O-CA 3.47Å; H271-R295 PolarHBondContact O-N 2.78Å; H271-F296 HydrophobicContact CB-CB 4.16Å; H271-L320 VanDerWaalsContact CE1-CD2 3.45Å; H271-L320 WeakPolarHBondContact CE1-CD2 3.44Å |
| 272 | L | 94.4 | Very high | 94 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.4 | 176.1 | -66 | 172.2 | 0 | 0 | 0 | 111 | R268 Y280 Y285 T293 P318 | R268-L272 HydrophobicContact CB-CD1 3.94Å; R268-L272 HydrophobicContact CG-CD1 4.08Å; R268-L272 VanDerWaalsContact O-CB 3.31Å; R268-L272 WeakPolarHBondContact O-CB 3.48Å; R268-L272 PolarHBondContact O-N 3.04Å; L272-Y280 HydrophobicContact CB-CD2 3.79Å; L272-Y280 HydrophobicContact CB-CE2 3.89Å; L272-Y280 HydrophobicContact CD1-CE2 4.26Å; L272-Y280 WeakPolarHBondContact O-CB 3.32Å; L272-Y280 WeakPolarHBondContact O-CD2 3.45Å; L272-Y285 HydrophobicContact CD1-CD2 4.26Å; L272-Y285 HydrophobicContact CD1-CE1 4.28Å; L272-Y285 HydrophobicContact CD1-CE2 3.66Å; L272-T293 WeakPolarHBondContact CA-O 3.17Å; L272-P318 HydrophobicContact CD2-CB 3.97Å; L272-P318 HydrophobicContact CD2-CG 4Å |
| 273 | V | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.8 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | G278 Y292 T293 R295 | V273-G278 WeakPolarHBondContact CB-O 3.35Å; V273-G278 VanDerWaalsContact CG1-O 3.27Å; V273-G278 WeakPolarHBondContact CG1-O 3.33Å; V273-Y292 VanDerWaalsContact C-CD1 3.47Å; V273-Y292 CarbonylContact O-C 3.56Å; V273-Y292 VanDerWaalsContact O-CA 3.27Å; V273-Y292 WeakPolarHBondContact O-CA 3.42Å; V273-T293 HydrophobicContact CG2-CG2 3.89Å; V273-T293 PolarHBondContact N-O 3.19Å; V273-T293 PolarHBondContact O-N 3.28Å; V273-R295 HydrophobicContact CG2-CG 3.82Å |
| 274 | R | 95.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 136.5 | 170.9 | -80.9 | -169.2 | -86 | -122.3 | -3.7 | 110.4 | R276 D277 G278 M279 D281 D284 Y292 | R274-R276 HydrophobicContact CB-CG 4.49Å; R274-R276 PolarHBondContact O-N 2.92Å; R274-D277 VanDerWaalsContact CB-OD1 3.32Å; R274-D277 WeakPolarHBondContact CB-OD1 3.44Å; R274-D277 IonicContact NE-OD1 2.66Å; R274-D277 IonicContact NE-OD2 3.8Å; R274-G278 WeakPolarHBondContact O-CA 3.41Å; R274-G278 PolarHBondContact O-N 3.1Å; R274-M279 WeakPolarHBondContact CB-O 3.26Å; R274-M279 PolarHBondContact N-O 2.88Å; R274-D281 VanDerWaalsContact NH1-CB 3.32Å; R274-D281 IonicContact NH1-OD2 3.51Å; R274-D281 VanDerWaalsContact NH2-CB 3.32Å; R274-D281 IonicContact NH2-OD2 2.73Å; R274-D284 WeakPolarHBondContact CD-OD2 3.39Å; R274-D284 IonicContact CZ-OD2 2.67Å; R274-D284 VanDerWaalsContact NH1-CG 3.26Å; R274-D284 IonicContact NH1-OD2 3.18Å; R274-D284 PolarHBondContact NH1-OD2 3.5Å; R274-Y292 HydrophobicContact CB-CE1 4.35Å; R274-Y292 WeakPolarHBondContact CD-OH 3.45Å; R274-Y292 HydrophobicContact CG-CD1 3.98Å; R274-Y292 HydrophobicContact CG-CD2 4.23Å; R274-Y292 HydrophobicContact CG-CE1 3.41Å; R274-Y292 VanDerWaalsContact CG-CE1 3.41Å; R274-Y292 HydrophobicContact CG-CE2 3.68Å; R274-Y292 HydrophobicContact CG-CG 4.35Å; R274-Y292 VanDerWaalsContact CG-OH 3.31Å; R274-Y292 WeakPolarHBondContact CG-OH 3.34Å; R274-Y292 PolarHBondContact NH1-OH 3.11Å |
| 275 | K | 93.8 | Very high | 93 | Very high | 140 Ų | 140 | 60.3 Ų | 60.3 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28 | 179.2 | -70.3 | 168.7 | 177.9 | 162.3 | 0 | 113.5 | E290 L291 Y292 T293 | K275-E290 PolarHBondContact NZ-O 2.76Å; K275-L291 WeakPolarHBondContact CG-O 3.45Å; K275-L291 PolarHBondContact N-O 3.04Å; K275-Y292 VanDerWaalsContact CE-O 3.23Å; K275-Y292 WeakPolarHBondContact CE-O 3.21Å; K275-T293 HydrophobicContact CG-CG2 4.27Å |
| 276 | R | 92.8 | Very high | 92.4 | Very high | 197 Ų | 197 | 64.6 Ų | 64.6 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -39 | -174.5 | 76.9 | -178 | -175.4 | -168.5 | -4.9 | 114.6 | R274 | R274-R276 HydrophobicContact CB-CG 4.49Å; R274-R276 PolarHBondContact O-N 2.92Å |
| 277 | D | 92.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 71.7 Ų | 71.7 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | -6 | -166.4 | 58.1 | 29.7 | 0 | 0 | 0 | 113.5 | R274 M279 | R274-D277 VanDerWaalsContact CB-OD1 3.32Å; R274-D277 WeakPolarHBondContact CB-OD1 3.44Å; R274-D277 IonicContact NE-OD1 2.66Å; R274-D277 IonicContact NE-OD2 3.8Å; D277-M279 PolarHBondContact O-N 3.09Å; D277-M279 WeakPolarHBondContact OD1-CB 3.29Å; D277-M279 PolarHBondContact OD1-N 3.06Å |
| 278 | G | 91.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 73.8 Ų | 73.8 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 73.5 | 7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V273 R274 | V273-G278 WeakPolarHBondContact CB-O 3.35Å; V273-G278 VanDerWaalsContact CG1-O 3.27Å; V273-G278 WeakPolarHBondContact CG1-O 3.33Å; R274-G278 WeakPolarHBondContact O-CA 3.41Å; R274-G278 PolarHBondContact O-N 3.1Å |
| 279 | M | 92.3 | Very high | 92 | Very high | 121 Ų | 121 | 70 Ų | 70 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | trans | -94.5 | 152.7 | 178.9 | -65.1 | -165.8 | 70.5 | 0 | 0 | 112.3 | R274 D277 | R274-M279 WeakPolarHBondContact CB-O 3.26Å; R274-M279 PolarHBondContact N-O 2.88Å; D277-M279 PolarHBondContact O-N 3.09Å; D277-M279 WeakPolarHBondContact OD1-CB 3.29Å; D277-M279 PolarHBondContact OD1-N 3.06Å | ||
| 280 | Y | 93.4 | Very high | 92 | Very high | 51 Ų | 51 | 69.6 Ų | 69.6 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | trans | -99.9 | 132.4 | 170.1 | -176.1 | -106.2 | 0 | 0 | 0 | 111.3 | R268 H269 L272 P282 Y285 Y292 | R268-Y280 HydrophobicContact CB-CE1 4.22Å; R268-Y280 HydrophobicContact CB-CE2 4.02Å; R268-Y280 VanDerWaalsContact CB-OH 3.25Å; R268-Y280 WeakPolarHBondContact CB-OH 3.32Å; R268-Y280 VanDerWaalsContact CD-OH 3.28Å; R268-Y280 WeakPolarHBondContact CD-OH 3.47Å; H269-Y280 VanDerWaalsContact CA-CD1 3.47Å; H269-Y280 HydrophobicContact CB-CD1 3.25Å; H269-Y280 HydrophobicContact CB-CE1 3.78Å; H269-Y280 HydrophobicContact CB-CG 3.84Å; L272-Y280 HydrophobicContact CB-CD2 3.79Å; L272-Y280 HydrophobicContact CB-CE2 3.89Å; L272-Y280 HydrophobicContact CD1-CE2 4.26Å; L272-Y280 WeakPolarHBondContact O-CB 3.32Å; L272-Y280 WeakPolarHBondContact O-CD2 3.45Å; Y280-P282 HydrophobicContact CE1-CB 4Å; Y280-Y285 HydrophobicContact CE2-CD2 4.42Å; Y280-Y285 HydrophobicContact CE2-CG 4.07Å; Y280-Y292 HydrophobicContact CD2-CD1 4.15Å; Y280-Y292 AromaticContact CD2-CE1 3.84Å; Y280-Y292 HydrophobicContact CD2-CE1 3.84Å; Y280-Y292 HydrophobicContact CE2-CE1 4.3Å | ||
| 281 | D | 93.9 | Very high | 91.9 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | trans | -132.8 | 119.2 | 170.8 | 179.1 | -36.4 | 0 | 0 | 0 | 109.1 | R274 V283 D284 Y285 Y292 | R274-D281 VanDerWaalsContact NH1-CB 3.32Å; R274-D281 IonicContact NH1-OD2 3.51Å; R274-D281 VanDerWaalsContact NH2-CB 3.32Å; R274-D281 IonicContact NH2-OD2 2.73Å; D281-V283 PolarHBondContact O-N 2.89Å; D281-V283 PolarHBondContact OD1-N 2.83Å; D281-D284 HydrophobicContact CB-CB 3.96Å; D281-D284 PolarHBondContact OD1-N 3.1Å; D281-D284 VanDerWaalsContact OD1-N 3.09Å; D281-Y285 VanDerWaalsContact O-CB 3.26Å; D281-Y285 WeakPolarHBondContact O-CB 3.04Å; D281-Y285 PolarHBondContact O-N 3.41Å; D281-Y292 PolarHBondContact N-OH 2.66Å; D281-Y292 PolarHBondContact O-OH 2.83Å | ||
| 282 | P | 89.7 | Confident | 92 | Very high | 76 Ų | 76 | 71 Ų | 71 | 49% | 0.494 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | -173.6 | 26.7 | -33.7 | 0 | 0 | 0 | 113.4 | Y280 E286 | Y280-P282 HydrophobicContact CE1-CB 4Å; P282-E286 PolarHBondContact O-N 3.09Å |
| 283 | V | 91.7 | Very high | 92 | Very high | 94 Ų | 94 | 73.8 Ų | 73.8 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -76.6 | -39.2 | -176.6 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | D281 | D281-V283 PolarHBondContact O-N 2.89Å; D281-V283 PolarHBondContact OD1-N 2.83Å |
| 284 | D | 91.9 | Very high | 92 | Very high | 37 Ų | 37 | 74 Ų | 74 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 176.2 | -178.5 | 69.3 | 0 | 0 | 0 | 111.6 | R274 D281 E286 K287 H288 Y292 | R274-D284 WeakPolarHBondContact CD-OD2 3.39Å; R274-D284 IonicContact CZ-OD2 2.67Å; R274-D284 VanDerWaalsContact NH1-CG 3.26Å; R274-D284 IonicContact NH1-OD2 3.18Å; R274-D284 PolarHBondContact NH1-OD2 3.5Å; D281-D284 HydrophobicContact CB-CB 3.96Å; D281-D284 PolarHBondContact OD1-N 3.1Å; D281-D284 VanDerWaalsContact OD1-N 3.09Å; D284-E286 VanDerWaalsContact C-N 3.32Å; D284-E286 PolarHBondContact O-N 2.98Å; D284-K287 PolarHBondContact O-N 3.04Å; D284-K287 VanDerWaalsContact O-N 3.16Å; D284-H288 PolarHBondContact O-N 3.07Å; D284-H288 IonicContact OD1-CD2 3.16Å; D284-Y292 WeakPolarHBondContact OD2-CE2 3.48Å; D284-Y292 PolarHBondContact OD2-OH 2.86Å |
| 285 | Y | 89.4 | Confident | 92 | Very high | 17 Ų | 17 | 77.7 Ų | 77.7 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 174.9 | 175.6 | -98.5 | 0 | 0 | 0 | 113 | L272 Y280 D281 K287 H288 P289 Y292 T317 | L272-Y285 HydrophobicContact CD1-CD2 4.26Å; L272-Y285 HydrophobicContact CD1-CE1 4.28Å; L272-Y285 HydrophobicContact CD1-CE2 3.66Å; Y280-Y285 HydrophobicContact CE2-CD2 4.42Å; Y280-Y285 HydrophobicContact CE2-CG 4.07Å; D281-Y285 VanDerWaalsContact O-CB 3.26Å; D281-Y285 WeakPolarHBondContact O-CB 3.04Å; D281-Y285 PolarHBondContact O-N 3.41Å; Y285-K287 PolarHBondContact O-N 2.95Å; Y285-H288 PolarHBondContact O-N 3.08Å; Y285-P289 HydrophobicContact CD2-CB 4.32Å; Y285-P289 HydrophobicContact CE2-CB 3.92Å; Y285-P289 WeakPolarHBondContact O-CA 3.41Å; Y285-P289 VanDerWaalsContact O-CD 3.31Å; Y285-P289 WeakPolarHBondContact O-CD 3.42Å; Y285-P289 VanDerWaalsContact O-N 3.14Å; Y285-Y292 AromaticContact CD2-CD1 3.97Å; Y285-Y292 HydrophobicContact CD2-CD1 3.97Å; Y285-Y292 AromaticContact CD2-CD2 3.71Å; Y285-Y292 HydrophobicContact CD2-CD2 3.71Å; Y285-Y292 HydrophobicContact CD2-CE1 4.4Å; Y285-Y292 HydrophobicContact CD2-CE2 4.2Å; Y285-Y292 AromaticContact CD2-CG 3.62Å; Y285-Y292 HydrophobicContact CD2-CG 3.62Å; Y285-Y292 HydrophobicContact CE2-CG 4.34Å; Y285-T317 WeakPolarHBondContact OH-CB 3.47Å; Y285-T317 WeakPolarHBondContact OH-CG2 3.45Å |
| 286 | E | 85.8 | Confident | 92.1 | Very high | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.6 | -25.1 | -179 | -156.5 | 68.1 | -163.6 | 0 | 0 | 112.4 | R268 P282 D284 | R268-E286 IonicContact CZ-OE2 3.81Å; R268-E286 IonicContact NH1-OE2 2.76Å; R268-E286 PolarHBondContact NH1-OE2 2.74Å; R268-E286 IonicContact NH2-OE2 3.75Å; P282-E286 PolarHBondContact O-N 3.09Å; D284-E286 VanDerWaalsContact C-N 3.32Å; D284-E286 PolarHBondContact O-N 2.98Å |
| 287 | K | 89.2 | Confident | 92.2 | Very high | 149 Ų | 149 | 63.4 Ų | 63.4 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -93.3 | -34.1 | 177.7 | -66.5 | 178.9 | -178.2 | 179 | 0 | 113.1 | D284 Y285 | D284-K287 PolarHBondContact O-N 3.04Å; D284-K287 VanDerWaalsContact O-N 3.16Å; Y285-K287 PolarHBondContact O-N 2.95Å |
| 288 | H | 90.9 | Very high | 92.2 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | trans | -137.3 | 60.2 | -169.6 | -60.8 | -60.9 | 0 | 0 | 0 | 112.1 | D284 Y285 E290 L291 Y292 | D284-H288 PolarHBondContact O-N 3.07Å; D284-H288 IonicContact OD1-CD2 3.16Å; Y285-H288 PolarHBondContact O-N 3.08Å; H288-E290 VanDerWaalsContact CA-OE2 3.27Å; H288-E290 WeakPolarHBondContact CA-OE2 3.39Å; H288-E290 IonicContact CG-OE1 2.7Å; H288-E290 IonicContact ND1-OE1 2.78Å; H288-E290 PolarHBondContact ND1-OE1 3.22Å; H288-E290 PolarHBondContact O-N 2.8Å; H288-L291 HydrophobicContact CB-CD1 3.69Å; H288-L291 HydrophobicContact CB-CG 3.97Å; H288-L291 PolarHBondContact O-N 2.7Å; H288-Y292 WeakPolarHBondContact O-CD2 3.19Å | ||
| 289 | P | 90.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.3 | -178 | 26 | -34.9 | 0 | 0 | 0 | 113.2 | Y285 L291 Y292 H316 T317 | Y285-P289 HydrophobicContact CD2-CB 4.32Å; Y285-P289 HydrophobicContact CE2-CB 3.92Å; Y285-P289 WeakPolarHBondContact O-CA 3.41Å; Y285-P289 VanDerWaalsContact O-CD 3.31Å; Y285-P289 WeakPolarHBondContact O-CD 3.42Å; Y285-P289 VanDerWaalsContact O-N 3.14Å; P289-L291 PolarHBondContact O-N 3.31Å; P289-Y292 PolarHBondContact O-N 3.31Å; P289-Y292 VanDerWaalsContact O-N 3.14Å; P289-H316 HydrophobicContact CG-CB 4.44Å; P289-T317 HydrophobicContact CB-CG2 3.89Å; P289-T317 HydrophobicContact CG-CG2 4.42Å |
| 290 | E | 90.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -64.2 | -21.9 | 178.7 | 71.2 | -75.2 | 175.8 | 0 | 0 | 114 | K275 H288 Y292 | K275-E290 PolarHBondContact NZ-O 2.76Å; H288-E290 VanDerWaalsContact CA-OE2 3.27Å; H288-E290 WeakPolarHBondContact CA-OE2 3.39Å; H288-E290 IonicContact CG-OE1 2.7Å; H288-E290 IonicContact ND1-OE1 2.78Å; H288-E290 PolarHBondContact ND1-OE1 3.22Å; H288-E290 PolarHBondContact O-N 2.8Å; E290-Y292 PolarHBondContact O-N 3.11Å |
| 291 | L | 93.2 | Very high | 92.7 | Very high | 82 Ų | 82 | 57 Ų | 57 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -79.9 | -6.5 | 178.1 | -60.3 | -177.2 | 0 | 0 | 0 | 113 | K275 H288 P289 | K275-L291 WeakPolarHBondContact CG-O 3.45Å; K275-L291 PolarHBondContact N-O 3.04Å; H288-L291 HydrophobicContact CB-CD1 3.69Å; H288-L291 HydrophobicContact CB-CG 3.97Å; H288-L291 PolarHBondContact O-N 2.7Å; P289-L291 PolarHBondContact O-N 3.31Å |
| 292 | Y | 95.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 159.4 | -177 | -69.5 | -107.3 | 0 | 0 | 0 | 111.5 | V273 R274 K275 Y280 D281 D284 Y285 H288 P289 E290 P318 | V273-Y292 VanDerWaalsContact C-CD1 3.47Å; V273-Y292 CarbonylContact O-C 3.56Å; V273-Y292 VanDerWaalsContact O-CA 3.27Å; V273-Y292 WeakPolarHBondContact O-CA 3.42Å; R274-Y292 HydrophobicContact CB-CE1 4.35Å; R274-Y292 WeakPolarHBondContact CD-OH 3.45Å; R274-Y292 HydrophobicContact CG-CD1 3.98Å; R274-Y292 HydrophobicContact CG-CD2 4.23Å; R274-Y292 HydrophobicContact CG-CE1 3.41Å; R274-Y292 VanDerWaalsContact CG-CE1 3.41Å; R274-Y292 HydrophobicContact CG-CE2 3.68Å; R274-Y292 HydrophobicContact CG-CG 4.35Å; R274-Y292 VanDerWaalsContact CG-OH 3.31Å; R274-Y292 WeakPolarHBondContact CG-OH 3.34Å; R274-Y292 PolarHBondContact NH1-OH 3.11Å; K275-Y292 VanDerWaalsContact CE-O 3.23Å; K275-Y292 WeakPolarHBondContact CE-O 3.21Å; Y280-Y292 HydrophobicContact CD2-CD1 4.15Å; Y280-Y292 AromaticContact CD2-CE1 3.84Å; Y280-Y292 HydrophobicContact CD2-CE1 3.84Å; Y280-Y292 HydrophobicContact CE2-CE1 4.3Å; D281-Y292 PolarHBondContact N-OH 2.66Å; D281-Y292 PolarHBondContact O-OH 2.83Å; D284-Y292 WeakPolarHBondContact OD2-CE2 3.48Å; D284-Y292 PolarHBondContact OD2-OH 2.86Å; Y285-Y292 AromaticContact CD2-CD1 3.97Å; Y285-Y292 HydrophobicContact CD2-CD1 3.97Å; Y285-Y292 AromaticContact CD2-CD2 3.71Å; Y285-Y292 HydrophobicContact CD2-CD2 3.71Å; Y285-Y292 HydrophobicContact CD2-CE1 4.4Å; Y285-Y292 HydrophobicContact CD2-CE2 4.2Å; Y285-Y292 AromaticContact CD2-CG 3.62Å; Y285-Y292 HydrophobicContact CD2-CG 3.62Å; Y285-Y292 HydrophobicContact CE2-CG 4.34Å; H288-Y292 WeakPolarHBondContact O-CD2 3.19Å; P289-Y292 PolarHBondContact O-N 3.31Å; P289-Y292 VanDerWaalsContact O-N 3.14Å; E290-Y292 PolarHBondContact O-N 3.11Å; Y292-P318 VanDerWaalsContact O-CG 3.26Å; Y292-P318 WeakPolarHBondContact O-CG 3.4Å |
| 293 | T | 94.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.5 | 168.8 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | L272 V273 K275 | L272-T293 WeakPolarHBondContact CA-O 3.17Å; V273-T293 HydrophobicContact CG2-CG2 3.89Å; V273-T293 PolarHBondContact N-O 3.19Å; V273-T293 PolarHBondContact O-N 3.28Å; K275-T293 HydrophobicContact CG-CG2 4.27Å |
| 294 | S | 94.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.5 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | H271 F296 R319 | H271-S294 PolarHBondContact ND1-OG 2.79Å; H271-S294 VanDerWaalsContact ND1-OG 3.14Å; H271-S294 CarbonylContact O-C 3.56Å; H271-S294 WeakPolarHBondContact O-CA 3.47Å; S294-F296 VanDerWaalsContact OG-CB 3.32Å; S294-F296 WeakPolarHBondContact OG-CB 3.2Å; S294-F296 PolarHBondContact OG-N 3.13Å; S294-R319 WeakPolarHBondContact CB-O 3.49Å |
| 295 | R | 94.6 | Very high | 93.6 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | trans | -98.6 | 11.9 | 168.7 | -59.7 | -171.8 | -58.2 | 176.8 | 6.1 | 112.6 | H271 V273 N297 T298 D299 | H271-R295 PolarHBondContact O-N 2.78Å; V273-R295 HydrophobicContact CG2-CG 3.82Å; R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.03Å; R295-T298 PolarHBondContact O-N 3.45Å; R295-T298 PolarHBondContact O-OG1 2.93Å; R295-D299 WeakPolarHBondContact CB-OD2 3.48Å; R295-D299 IonicContact CZ-OD2 3.27Å; R295-D299 IonicContact NE-OD2 3.56Å; R295-D299 PolarHBondContact NE-OD2 2.8Å; R295-D299 IonicContact NH1-OD2 2.64Å; R295-D299 IonicContact NH2-OD2 2.71Å; R295-D299 PolarHBondContact NH2-OD2 2.85Å; R295-D299 PolarHBondContact O-N 3.36Å | ||
| 296 | F | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -55.2 | -42 | -178.3 | -179.3 | -90.4 | 0 | 0 | 0 | 112.2 | V221 T223 L266 H271 S294 T298 I300 A301 L307 L320 L321 | V221-F296 HydrophobicContact CG1-CE2 4.09Å; T223-F296 HydrophobicContact CG2-CE2 4.33Å; L266-F296 HydrophobicContact CD1-CD2 3.7Å; L266-F296 HydrophobicContact CD1-CE2 3.57Å; H271-F296 HydrophobicContact CB-CB 4.16Å; S294-F296 VanDerWaalsContact OG-CB 3.32Å; S294-F296 WeakPolarHBondContact OG-CB 3.2Å; S294-F296 PolarHBondContact OG-N 3.13Å; F296-T298 PolarHBondContact O-N 2.64Å; F296-I300 HydrophobicContact CD2-CB 3.95Å; F296-I300 HydrophobicContact CD2-CG1 4.29Å; F296-I300 HydrophobicContact CD2-CG2 4.15Å; F296-I300 HydrophobicContact CE2-CB 4.04Å; F296-I300 HydrophobicContact CE2-CG2 3.74Å; F296-I300 HydrophobicContact CZ-CG2 4.31Å; F296-I300 PolarHBondContact O-N 2.73Å; F296-A301 HydrophobicContact CD1-CB 4.02Å; F296-A301 HydrophobicContact CE1-CB 3.75Å; F296-A301 HydrophobicContact CZ-CB 4.48Å; F296-A301 WeakPolarHBondContact O-CB 3.33Å; F296-A301 PolarHBondContact O-N 2.57Å; F296-L307 HydrophobicContact CE1-CD2 4.03Å; F296-L307 HydrophobicContact CE2-CD1 4.14Å; F296-L307 HydrophobicContact CZ-CD1 3.64Å; F296-L307 HydrophobicContact CZ-CD2 3.83Å; F296-L307 HydrophobicContact CZ-CG 4.33Å; F296-L320 HydrophobicContact CB-CD2 3.97Å; F296-L320 HydrophobicContact CD1-CB 4.02Å; F296-L320 HydrophobicContact CD2-CD2 4.06Å; F296-L320 HydrophobicContact CG-CB 4.24Å; F296-L320 HydrophobicContact CG-CD2 3.94Å; F296-L321 HydrophobicContact CD1-CD2 3.85Å; F296-L321 HydrophobicContact CD1-CG 3.91Å; F296-L321 HydrophobicContact CE1-CD1 4.09Å; F296-L321 HydrophobicContact CE1-CD2 4.12Å; F296-L321 HydrophobicContact CE1-CG 3.94Å |
| 297 | N | 94.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -57.6 | -25.7 | 177.3 | 67.3 | -22.8 | 0 | 0 | 0 | 115 | R295 P302 L321 D325 | R295-N297 VanDerWaalsContact C-N 3.25Å; R295-N297 PolarHBondContact O-N 3.03Å; N297-P302 WeakPolarHBondContact O-CD 3.31Å; N297-L321 HydrophobicContact CB-CD2 3.94Å; N297-D325 HydrophobicContact CB-CB 3.9Å; N297-D325 PolarHBondContact ND2-OD1 2.89Å |
| 298 | T | 91.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 46% | 0.46 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -111.2 | -44.4 | -170.8 | 38.1 | 0 | 0 | 0 | 0 | 112 | R295 F296 | R295-T298 PolarHBondContact O-N 3.45Å; R295-T298 PolarHBondContact O-OG1 2.93Å; F296-T298 PolarHBondContact O-N 2.64Å |
| 299 | D | 94.1 | Very high | 95.4 | Very high | 66 Ų | 66 | 31.4 Ų | 31.4 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -87.5 | -25.3 | -174 | -65.9 | -18.8 | 0 | 0 | 0 | 112.5 | R295 Y303 | R295-D299 WeakPolarHBondContact CB-OD2 3.48Å; R295-D299 IonicContact CZ-OD2 3.27Å; R295-D299 IonicContact NE-OD2 3.56Å; R295-D299 PolarHBondContact NE-OD2 2.8Å; R295-D299 IonicContact NH1-OD2 2.64Å; R295-D299 IonicContact NH2-OD2 2.71Å; R295-D299 PolarHBondContact NH2-OD2 2.85Å; R295-D299 PolarHBondContact O-N 3.36Å; D299-Y303 WeakPolarHBondContact O-CD2 3.23Å |
| 300 | I | 97 | Very high | 95.4 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -124.4 | -56 | -168.8 | -52 | -62.2 | 0 | 0 | 0 | 113.4 | V221 P246 L249 L266 F296 P302 Y303 T304 | V221-I300 HydrophobicContact CG1-CG2 4.03Å; V221-I300 HydrophobicContact CG2-CG2 4Å; P246-I300 HydrophobicContact CB-CD1 3.95Å; L249-I300 HydrophobicContact CD2-CG2 3.73Å; L266-I300 HydrophobicContact CD1-CG1 4.22Å; L266-I300 HydrophobicContact CD1-CG2 4.04Å; L266-I300 HydrophobicContact CD2-CD1 4.2Å; F296-I300 HydrophobicContact CD2-CB 3.95Å; F296-I300 HydrophobicContact CD2-CG1 4.29Å; F296-I300 HydrophobicContact CD2-CG2 4.15Å; F296-I300 HydrophobicContact CE2-CB 4.04Å; F296-I300 HydrophobicContact CE2-CG2 3.74Å; F296-I300 HydrophobicContact CZ-CG2 4.31Å; F296-I300 PolarHBondContact O-N 2.73Å; I300-P302 VanDerWaalsContact C-N 3.33Å; I300-Y303 PolarHBondContact O-N 2.83Å; I300-T304 PolarHBondContact O-N 3.38Å; I300-T304 PolarHBondContact O-OG1 2.96Å |
| 301 | A | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -54 | -38.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F296 Y303 T304 L321 L329 | F296-A301 HydrophobicContact CD1-CB 4.02Å; F296-A301 HydrophobicContact CE1-CB 3.75Å; F296-A301 HydrophobicContact CZ-CB 4.48Å; F296-A301 WeakPolarHBondContact O-CB 3.33Å; F296-A301 PolarHBondContact O-N 2.57Å; A301-Y303 PolarHBondContact O-N 3.46Å; A301-Y303 VanDerWaalsContact O-N 3.1Å; A301-T304 PolarHBondContact O-N 3.02Å; A301-T304 VanDerWaalsContact O-N 3.12Å; A301-L321 HydrophobicContact CB-CD2 4Å; A301-L329 HydrophobicContact CB-CD1 3.67Å; A301-L329 HydrophobicContact CB-CD2 4Å |
| 302 | P | 95.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 31% | 0.312 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -61.9 | -20.4 | 178.1 | -24 | 35.4 | 0 | 0 | 0 | 114.5 | N297 I300 L329 | N297-P302 WeakPolarHBondContact O-CD 3.31Å; I300-P302 VanDerWaalsContact C-N 3.33Å; P302-L329 HydrophobicContact CB-CD2 4.23Å; P302-L329 HydrophobicContact CG-CD2 3.73Å |
| 303 | Y | 96.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 34 Ų | 34 | 18% | 0.184 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -109.3 | 7 | -177.4 | -47 | -62.8 | 0 | 0 | 0 | 112.3 | T219 K250 D299 I300 A301 | T219-Y303 WeakPolarHBondContact CB-O 3.36Å; T219-Y303 PolarHBondContact OG1-O 3.16Å; K250-Y303 HydrophobicContact CB-CD1 4.08Å; K250-Y303 HydrophobicContact CB-CD2 4.04Å; K250-Y303 HydrophobicContact CB-CE1 3.98Å; K250-Y303 HydrophobicContact CB-CE2 3.94Å; K250-Y303 HydrophobicContact CB-CG 4.1Å; K250-Y303 HydrophobicContact CD-CE1 4.03Å; K250-Y303 HydrophobicContact CD-CE2 4.22Å; K250-Y303 WeakPolarHBondContact CD-OH 3.46Å; K250-Y303 WeakPolarHBondContact CE-OH 3.28Å; K250-Y303 HydrophobicContact CG-CD1 4.04Å; K250-Y303 HydrophobicContact CG-CE1 3.54Å; K250-Y303 HydrophobicContact CG-CE2 4.17Å; D299-Y303 WeakPolarHBondContact O-CD2 3.23Å; I300-Y303 PolarHBondContact O-N 2.83Å; A301-Y303 PolarHBondContact O-N 3.46Å; A301-Y303 VanDerWaalsContact O-N 3.1Å |
| 304 | T | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -99 | 130.6 | -176.8 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | V221 I300 A301 C306 L307 K349 L350 | V221-T304 HydrophobicContact CB-CG2 3.85Å; V221-T304 HydrophobicContact CG2-CG2 3.73Å; V221-T304 VanDerWaalsContact CG2-OG1 3.28Å; V221-T304 WeakPolarHBondContact CG2-OG1 3.23Å; I300-T304 PolarHBondContact O-N 3.38Å; I300-T304 PolarHBondContact O-OG1 2.96Å; A301-T304 PolarHBondContact O-N 3.02Å; A301-T304 VanDerWaalsContact O-N 3.12Å; T304-C306 WeakPolarHBondContact CG2-O 3.41Å; T304-L307 HydrophobicContact CG2-CB 4.35Å; T304-K349 CarbonylContact O-C 3.57Å; T304-K349 VanDerWaalsContact O-C 3.28Å; T304-L350 HydrophobicContact CG2-CD1 3.92Å; T304-L350 WeakPolarHBondContact O-CA 3.36Å; T304-L350 PolarHBondContact O-N 2.77Å | ||
| 305 | T | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -88.6 | -45.8 | 172.4 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | L218 T219 K349 L351 A352 | L218-T305 HydrophobicContact CD2-CG2 3.85Å; T219-T305 PolarHBondContact N-OG1 2.76Å; T219-T305 WeakPolarHBondContact O-CA 3.18Å; T219-T305 VanDerWaalsContact O-CB 3.24Å; T219-T305 WeakPolarHBondContact O-CB 3.48Å; T219-T305 PolarHBondContact O-N 3.2Å; T219-T305 PolarHBondContact OG1-N 3.38Å; T219-T305 PolarHBondContact OG1-OG1 3.12Å; T305-K349 VanDerWaalsContact CA-O 3.3Å; T305-K349 WeakPolarHBondContact CA-O 3.24Å; T305-K349 WeakPolarHBondContact OG1-CE 3.4Å; T305-L351 HydrophobicContact CG2-CD1 4.25Å; T305-L351 HydrophobicContact CG2-CG 4.46Å; T305-L351 PolarHBondContact O-N 3.29Å; T305-A352 PolarHBondContact O-N 2.91Å |
| 306 | C | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.6 | 179 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | I163 L167 T219 F220 V221 T304 A352 | I163-C306 WeakPolarHBondContact CG1-SG 3.15Å; L167-C306 HydrophobicContact CD1-CB 3.92Å; T219-C306 PolarHBondContact O-N 2.91Å; F220-C306 WeakPolarHBondContact CA-O 3.23Å; F220-C306 HydrophobicContact CD1-CB 3.67Å; F220-C306 HydrophobicContact CE1-CB 3.74Å; F220-C306 HydrophobicContact CG-CB 4.38Å; V221-C306 PolarHBondContact N-O 2.62Å; T304-C306 WeakPolarHBondContact CG2-O 3.41Å; C306-A352 WeakPolarHBondContact CA-O 3.25Å |
| 307 | L | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.5 | 173.8 | 178.5 | 58.3 | 0 | 0 | 0 | 109.9 | V221 T223 F296 T304 N309 L350 A352 I353 C354 I364 | V221-L307 HydrophobicContact CB-CD1 4.21Å; V221-L307 HydrophobicContact CG1-CD1 4.01Å; V221-L307 WeakPolarHBondContact O-CD1 3.44Å; T223-L307 HydrophobicContact CG2-CD1 3.69Å; F296-L307 HydrophobicContact CE1-CD2 4.03Å; F296-L307 HydrophobicContact CE2-CD1 4.14Å; F296-L307 HydrophobicContact CZ-CD1 3.64Å; F296-L307 HydrophobicContact CZ-CD2 3.83Å; F296-L307 HydrophobicContact CZ-CG 4.33Å; T304-L307 HydrophobicContact CG2-CB 4.35Å; L307-N309 HydrophobicContact CG-CB 4.36Å; L307-L350 HydrophobicContact CB-CD1 4.43Å; L307-A352 PolarHBondContact N-O 3.18Å; L307-I353 HydrophobicContact CB-CB 4.4Å; L307-I353 HydrophobicContact CB-CG1 4.02Å; L307-I353 HydrophobicContact CB-CG2 4.25Å; L307-I353 HydrophobicContact CD2-CD1 4.46Å; L307-I353 HydrophobicContact CD2-CG1 4.3Å; L307-I353 HydrophobicContact CD2-CG2 4.08Å; L307-I353 HydrophobicContact CG-CG2 4.28Å; L307-I353 CarbonylContact O-C 3.57Å; L307-I353 WeakPolarHBondContact O-CA 3.25Å; L307-C354 PolarHBondContact O-N 3.06Å; L307-I364 HydrophobicContact CD2-CD1 3.96Å |
| 308 | I | 98.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 96.1 | 171.1 | -61.5 | 87.8 | 0 | 0 | 0 | 106.5 | M160 I163 F220 V221 F222 T223 A232 I356 | M160-I308 HydrophobicContact SD-CD1 4.22Å; M160-I308 HydrophobicContact SD-CG1 3.99Å; I163-I308 HydrophobicContact CG2-CG1 4.5Å; F220-I308 HydrophobicContact CB-CD1 4.17Å; F220-I308 HydrophobicContact CD1-CD1 3.83Å; V221-I308 PolarHBondContact O-N 3.26Å; F222-I308 WeakPolarHBondContact CA-O 3.26Å; F222-I308 HydrophobicContact CD1-CB 3.75Å; F222-I308 HydrophobicContact CD1-CD1 4.22Å; F222-I308 HydrophobicContact CD1-CG1 4.17Å; F222-I308 HydrophobicContact CD1-CG2 3.93Å; F222-I308 HydrophobicContact CE1-CB 4.09Å; F222-I308 HydrophobicContact CE1-CD1 3.89Å; F222-I308 HydrophobicContact CE1-CG1 3.99Å; F222-I308 HydrophobicContact CE1-CG2 4.31Å; F222-I308 HydrophobicContact CG-CB 4.49Å; F222-I308 HydrophobicContact CZ-CD1 4.17Å; T223-I308 PolarHBondContact N-O 2.98Å; A232-I308 HydrophobicContact CB-CG2 3.84Å; I308-I356 HydrophobicContact CG2-CD1 3.8Å |
| 309 | N | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.7 | -175 | -171.6 | 47 | 0 | 0 | 0 | 111.2 | T223 L307 L320 C354 D355 I356 S357 S363 | T223-N309 VanDerWaalsContact OG1-CA 3.23Å; T223-N309 WeakPolarHBondContact OG1-CA 3.44Å; T223-N309 PolarHBondContact OG1-OD1 3.1Å; L307-N309 HydrophobicContact CG-CB 4.36Å; N309-L320 VanDerWaalsContact OD1-CD1 3.25Å; N309-L320 WeakPolarHBondContact OD1-CD1 3.31Å; N309-C354 PolarHBondContact N-O 2.84Å; N309-D355 PolarHBondContact ND2-OD1 3.26Å; N309-I356 WeakPolarHBondContact O-CA 3.15Å; N309-I356 WeakPolarHBondContact O-CB 3.38Å; N309-I356 PolarHBondContact O-N 3.31Å; N309-S357 PolarHBondContact O-N 3.14Å; N309-S363 PolarHBondContact ND2-OG 3.19Å |
| 310 | G | 91.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -130.5 | 23 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T223 | T223-G310 PolarHBondContact O-N 3.47Å; T223-G310 PolarHBondContact OG1-N 3Å | ||
| 311 | I | 88.6 | Confident | 91.4 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | trans | -78 | 154.4 | 178.7 | 68.8 | 176.8 | 0 | 0 | 0 | 112 | T223 W313 L320 S357 | T223-I311 VanDerWaalsContact CB-CG2 3.49Å; T223-I311 WeakPolarHBondContact OG1-CG2 3.32Å; I311-W313 HydrophobicContact CD1-CB 4.42Å; I311-W313 HydrophobicContact CG1-CB 4.44Å; I311-L320 HydrophobicContact CD1-CD1 3.95Å; I311-L320 HydrophobicContact CD1-CG 4.07Å; I311-S357 VanDerWaalsContact O-CB 3.31Å; I311-S357 WeakPolarHBondContact O-CB 3.23Å | ||
| 312 | Y | 82.9 | Confident | 91.2 | Very high | 168 Ų | 168 | 42.9 Ų | 42.9 | 66% | 0.659 | 20% | 0.204 | S | C | * | . | trans | -84 | 131 | 157.5 | -179.3 | -106.3 | 0 | 0 | 0 | 108.8 | E314 | Y312-E314 HydrophobicContact CD1-CG 4.42Å; Y312-E314 HydrophobicContact CE1-CG 3.55Å; Y312-E314 VanDerWaalsContact CE1-OE1 3.28Å; Y312-E314 WeakPolarHBondContact CE1-OE1 3.5Å; Y312-E314 PolarHBondContact OH-OE1 2.99Å | ||
| 313 | W | 86.6 | Confident | 91 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | trans | -130.7 | 142.7 | -178.9 | -177 | 86.6 | 0 | 0 | 0 | 111.2 | I311 Q315 T317 P318 R319 | I311-W313 HydrophobicContact CD1-CB 4.42Å; I311-W313 HydrophobicContact CG1-CB 4.44Å; W313-Q315 HydrophobicContact CH2-CB 4.46Å; W313-T317 PolarHBondContact NE1-O 3.05Å; W313-T317 PolarHBondContact NE1-OG1 3.5Å; W313-P318 PolarHBondContact NE1-O 3.1Å; W313-R319 HydrophobicContact CZ2-CG 4.05Å | ||
| 314 | E | 78.3 | Confident | 90.7 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | trans | -128 | 156.5 | 175.4 | -65.6 | -176 | 172.1 | 0 | 0 | 110.6 | Y312 H316 T317 | Y312-E314 HydrophobicContact CD1-CG 4.42Å; Y312-E314 HydrophobicContact CE1-CG 3.55Å; Y312-E314 VanDerWaalsContact CE1-OE1 3.28Å; Y312-E314 WeakPolarHBondContact CE1-OE1 3.5Å; Y312-E314 PolarHBondContact OH-OE1 2.99Å; E314-H316 PolarHBondContact O-N 3.01Å; E314-T317 HydrophobicContact CB-CG2 4.18Å; E314-T317 PolarHBondContact N-OG1 2.81Å; E314-T317 WeakPolarHBondContact O-CB 3.43Å; E314-T317 PolarHBondContact O-N 2.95Å; E314-T317 PolarHBondContact O-OG1 3.33Å | ||
| 315 | Q | 74.6 | Confident | 90.5 | Very high | 166 Ų | 166 | 49.5 Ų | 49.5 | 78% | 0.776 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.1 | -172.6 | -167.2 | 175.7 | 0.6 | 0 | 0 | 114.6 | W313 | W313-Q315 HydrophobicContact CH2-CB 4.46Š|
| 316 | H | 80.5 | Confident | 90.2 | Very high | 133 Ų | 133 | 49.5 Ų | 49.5 | 62% | 0.616 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.4 | 180 | -54.8 | -57.2 | 0 | 0 | 0 | 113.7 | P289 E314 | P289-H316 HydrophobicContact CG-CB 4.44Å; E314-H316 PolarHBondContact O-N 3.01Å |
| 317 | T | 86.3 | Confident | 89.7 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -98.3 | 146.5 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | Y285 P289 W313 E314 | Y285-T317 WeakPolarHBondContact OH-CB 3.47Å; Y285-T317 WeakPolarHBondContact OH-CG2 3.45Å; P289-T317 HydrophobicContact CB-CG2 3.89Å; P289-T317 HydrophobicContact CG-CG2 4.42Å; W313-T317 PolarHBondContact NE1-O 3.05Å; W313-T317 PolarHBondContact NE1-OG1 3.5Å; E314-T317 HydrophobicContact CB-CG2 4.18Å; E314-T317 PolarHBondContact N-OG1 2.81Å; E314-T317 WeakPolarHBondContact O-CB 3.43Å; E314-T317 PolarHBondContact O-N 2.95Å; E314-T317 PolarHBondContact O-OG1 3.33Å |
| 318 | P | 90.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 141.3 | 179.4 | -25.1 | 35.7 | 0 | 0 | 0 | 113 | L272 Y292 W313 | L272-P318 HydrophobicContact CD2-CB 3.97Å; L272-P318 HydrophobicContact CD2-CG 4Å; Y292-P318 VanDerWaalsContact O-CG 3.26Å; Y292-P318 WeakPolarHBondContact O-CG 3.4Å; W313-P318 PolarHBondContact NE1-O 3.1Å |
| 319 | R | 93.5 | Very high | 88.9 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 33% | 0.328 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -75 | 156.9 | 174.3 | -63 | 175.3 | -178.8 | -97 | 0.5 | 111 | S294 W313 G361 G362 E365 | S294-R319 WeakPolarHBondContact CB-O 3.49Å; W313-R319 HydrophobicContact CZ2-CG 4.05Å; R319-G361 VanDerWaalsContact NH1-C 3.29Å; R319-G361 PolarHBondContact NH1-O 2.81Å; R319-G361 PolarHBondContact NH2-O 3.06Å; R319-G362 PolarHBondContact NH1-O 3.44Å; R319-E365 VanDerWaalsContact NH1-CA 3.29Å |
| 320 | L | 94.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -78.1 | -47.1 | 171.3 | -69 | 178.4 | 0 | 0 | 0 | 111.3 | T223 H271 F296 N309 I311 S363 I364 | T223-L320 HydrophobicContact CG2-CD1 3.94Å; H271-L320 VanDerWaalsContact CE1-CD2 3.45Å; H271-L320 WeakPolarHBondContact CE1-CD2 3.44Å; F296-L320 HydrophobicContact CB-CD2 3.97Å; F296-L320 HydrophobicContact CD1-CB 4.02Å; F296-L320 HydrophobicContact CD2-CD2 4.06Å; F296-L320 HydrophobicContact CG-CB 4.24Å; F296-L320 HydrophobicContact CG-CD2 3.94Å; N309-L320 VanDerWaalsContact OD1-CD1 3.25Å; N309-L320 WeakPolarHBondContact OD1-CD1 3.31Å; I311-L320 HydrophobicContact CD1-CD1 3.95Å; I311-L320 HydrophobicContact CD1-CG 4.07Å; L320-S363 PolarHBondContact N-O 2.92Å; L320-I364 HydrophobicContact CB-CD1 4.09Å; L320-I364 HydrophobicContact CD1-CD1 4.45Å |
| 321 | L | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 130.4 | -179.8 | -66.8 | 175.9 | 0 | 0 | 0 | 110.8 | F296 N297 A301 D325 L329 L350 I353 S363 I364 E365 F366 | F296-L321 HydrophobicContact CD1-CD2 3.85Å; F296-L321 HydrophobicContact CD1-CG 3.91Å; F296-L321 HydrophobicContact CE1-CD1 4.09Å; F296-L321 HydrophobicContact CE1-CD2 4.12Å; F296-L321 HydrophobicContact CE1-CG 3.94Å; N297-L321 HydrophobicContact CB-CD2 3.94Å; A301-L321 HydrophobicContact CB-CD2 4Å; L321-D325 HydrophobicContact CD2-CB 4.04Å; L321-L329 HydrophobicContact CD1-CD1 4.48Å; L321-L329 HydrophobicContact CD2-CD1 3.64Å; L321-L350 HydrophobicContact CD1-CD2 4.06Å; L321-I353 HydrophobicContact CD1-CD1 4.19Å; L321-S363 PolarHBondContact N-O 2.8Å; L321-I364 HydrophobicContact CB-CD1 4.26Å; L321-I364 HydrophobicContact CD1-CD1 4.3Å; L321-I364 HydrophobicContact CG-CD1 4.41Å; L321-E365 PolarHBondContact O-N 2.82Å; L321-F366 HydrophobicContact CB-CE1 3.97Å; L321-F366 HydrophobicContact CB-CZ 4.46Å; L321-F366 HydrophobicContact CD1-CZ 4.39Å |
| 322 | S | 93.4 | Very high | 87 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | -91.6 | 168.3 | 167.3 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | Q324 D325 A326 E365 | S322-Q324 PolarHBondContact O-N 2.72Å; S322-D325 WeakPolarHBondContact CB-OD2 3.39Å; S322-D325 PolarHBondContact N-OD2 2.82Å; S322-D325 WeakPolarHBondContact O-CB 3.27Å; S322-D325 PolarHBondContact O-N 3.44Å; S322-D325 VanDerWaalsContact O-N 3.12Å; S322-D325 PolarHBondContact OG-N 3.3Å; S322-D325 VanDerWaalsContact OG-N 3.1Å; S322-D325 PolarHBondContact OG-OD2 2.78Å; S322-A326 PolarHBondContact O-N 2.88Å; S322-E365 WeakPolarHBondContact CA-OE2 3.19Å; S322-E365 WeakPolarHBondContact CB-OE2 3.26Å | ||
| 323 | R | 91.4 | Very high | 86.2 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.5 | -39.4 | 170.5 | -70.4 | -179.9 | -176.8 | -124.1 | -1.1 | 111.7 | D325 A326 Q327 E365 F366 | R323-D325 VanDerWaalsContact C-N 3.34Å; R323-A326 PolarHBondContact O-N 3.35Å; R323-Q327 PolarHBondContact O-N 3.46Å; R323-Q327 VanDerWaalsContact O-N 3.1Å; R323-E365 HydrophobicContact CG-CG 4.29Å; R323-E365 PolarHBondContact N-OE2 2.71Å; R323-F366 HydrophobicContact CG-CB 4.05Å |
| 324 | Q | 89.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 71.7 Ų | 71.7 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 177.3 | -64.9 | -179.3 | 10 | 0 | 0 | 112.2 | S322 K328 | S322-Q324 PolarHBondContact O-N 2.72Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 2.53Å |
| 325 | D | 92.8 | Very high | 83.5 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 174.8 | -62.1 | -45.1 | 0 | 0 | 0 | 111 | N297 L321 S322 R323 Q327 K328 L329 | N297-D325 HydrophobicContact CB-CB 3.9Å; N297-D325 PolarHBondContact ND2-OD1 2.89Å; L321-D325 HydrophobicContact CD2-CB 4.04Å; S322-D325 WeakPolarHBondContact CB-OD2 3.39Å; S322-D325 PolarHBondContact N-OD2 2.82Å; S322-D325 WeakPolarHBondContact O-CB 3.27Å; S322-D325 PolarHBondContact O-N 3.44Å; S322-D325 VanDerWaalsContact O-N 3.12Å; S322-D325 PolarHBondContact OG-N 3.3Å; S322-D325 VanDerWaalsContact OG-N 3.1Å; S322-D325 PolarHBondContact OG-OD2 2.78Å; R323-D325 VanDerWaalsContact C-N 3.34Å; D325-Q327 PolarHBondContact O-N 2.74Å; D325-K328 PolarHBondContact O-N 3.3Å; D325-L329 WeakPolarHBondContact O-CB 3.31Å; D325-L329 VanDerWaalsContact O-CG 3.27Å; D325-L329 WeakPolarHBondContact O-CG 3.37Å; D325-L329 PolarHBondContact O-N 3.27Å |
| 326 | A | 91 | Very high | 82.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S322 R323 K328 L329 L330 F366 Y380 A382 | S322-A326 PolarHBondContact O-N 2.88Å; R323-A326 PolarHBondContact O-N 3.35Å; A326-K328 PolarHBondContact O-N 3.42Å; A326-L329 PolarHBondContact O-N 2.73Å; A326-L329 VanDerWaalsContact O-N 3.07Å; A326-L330 WeakPolarHBondContact O-CB 3.43Å; A326-L330 VanDerWaalsContact O-CG 3.23Å; A326-L330 WeakPolarHBondContact O-CG 3.32Å; A326-L330 PolarHBondContact O-N 3.26Å; A326-F366 HydrophobicContact CB-CD1 4.05Å; A326-F366 HydrophobicContact CB-CE1 3.66Å; A326-F366 HydrophobicContact CB-CZ 4.16Å; A326-Y380 HydrophobicContact CB-CE1 3.83Å; A326-A382 HydrophobicContact CB-CB 3.88Å |
| 327 | Q | 89.1 | Confident | 80.9 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.3 | -41.4 | 175.7 | -77.4 | 175.8 | -18.9 | 0 | 0 | 112.7 | R323 D325 V331 A382 H385 | R323-Q327 PolarHBondContact O-N 3.46Å; R323-Q327 VanDerWaalsContact O-N 3.1Å; D325-Q327 PolarHBondContact O-N 2.74Å; Q327-V331 VanDerWaalsContact O-CG2 3.23Å; Q327-V331 WeakPolarHBondContact O-CG2 3.05Å; Q327-A382 HydrophobicContact CG-CB 3.94Å; Q327-A382 WeakPolarHBondContact CG-O 3.49Å; Q327-A382 PolarHBondContact NE2-O 3.35Å; Q327-H385 PolarHBondContact NE2-CE1 3.33Å; Q327-H385 PolarHBondContact NE2-NE2 3.34Å; Q327-H385 VanDerWaalsContact NE2-NE2 3.17Å |
| 328 | K | 89.4 | Confident | 79.4 | Confident | 147 Ų | 147 | 71.1 Ų | 71.1 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.4 | -36.2 | 178.2 | -68.1 | 170.4 | -172.9 | 167.3 | 0 | 112.8 | Q324 D325 A326 | Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 2.53Å; D325-K328 PolarHBondContact O-N 3.3Å; A326-K328 PolarHBondContact O-N 3.42Å |
| 329 | L | 89.1 | Confident | 77.9 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.2 | -28.2 | -177.3 | -73.6 | 167.6 | 0 | 0 | 0 | 113.2 | A301 P302 L321 D325 A326 L350 | A301-L329 HydrophobicContact CB-CD1 3.67Å; A301-L329 HydrophobicContact CB-CD2 4Å; P302-L329 HydrophobicContact CB-CD2 4.23Å; P302-L329 HydrophobicContact CG-CD2 3.73Å; L321-L329 HydrophobicContact CD1-CD1 4.48Å; L321-L329 HydrophobicContact CD2-CD1 3.64Å; D325-L329 WeakPolarHBondContact O-CB 3.31Å; D325-L329 VanDerWaalsContact O-CG 3.27Å; D325-L329 WeakPolarHBondContact O-CG 3.37Å; D325-L329 PolarHBondContact O-N 3.27Å; A326-L329 PolarHBondContact O-N 2.73Å; A326-L329 VanDerWaalsContact O-N 3.07Å; L329-L350 HydrophobicContact CD1-CD2 4.27Å |
| 330 | L | 87.5 | Confident | 76.5 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -98 | 3.5 | -174.1 | -55.6 | -178.3 | 0 | 0 | 0 | 114 | A326 P332 H348 A382 I396 | A326-L330 WeakPolarHBondContact O-CB 3.43Å; A326-L330 VanDerWaalsContact O-CG 3.23Å; A326-L330 WeakPolarHBondContact O-CG 3.32Å; A326-L330 PolarHBondContact O-N 3.26Å; L330-P332 WeakPolarHBondContact O-CD 3.41Å; L330-H348 HydrophobicContact CD2-CB 4.39Å; L330-H348 VanDerWaalsContact CD2-CE1 3.46Å; L330-H348 WeakPolarHBondContact CD2-CE1 3.32Å; L330-H348 WeakPolarHBondContact CD2-ND1 3.3Å; L330-A382 HydrophobicContact CD1-CB 3.6Å; L330-A382 HydrophobicContact CG-CB 4.46Å; L330-I396 HydrophobicContact CD1-CD1 3.79Å; L330-I396 HydrophobicContact CD1-CG1 3.61Å; L330-I396 HydrophobicContact CD2-CD1 3.78Å; L330-I396 HydrophobicContact CD2-CG1 3.44Å; L330-I396 VanDerWaalsContact CD2-CG1 3.44Å; L330-I396 HydrophobicContact CG-CD1 4.16Å; L330-I396 HydrophobicContact CG-CG1 4.09Å |
| 331 | V | 81.3 | Confident | 75.2 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -56.6 | 123.2 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | Q327 V333 | Q327-V331 VanDerWaalsContact O-CG2 3.23Å; Q327-V331 WeakPolarHBondContact O-CG2 3.05Å; V331-V333 PolarHBondContact O-N 2.82Å |
| 332 | P | 69.3 | Low | 74.2 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | trans | -55.2 | 133.3 | -179.4 | -27 | 34.2 | 0 | 0 | 0 | 111.7 | L330 K334 P347 | L330-P332 WeakPolarHBondContact O-CD 3.41Å; P332-K334 PolarHBondContact O-N 2.91Å; P332-K334 VanDerWaalsContact O-N 3.11Å; P332-P347 WeakPolarHBondContact CA-O 3.28Å | ||
| 333 | V | 65.3 | Low | 73.6 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 62% | 0.624 | 51% | 0.508 | S | S | * | . | trans | -65.7 | 114.6 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | V331 S335 P347 | V331-V333 PolarHBondContact O-N 2.82Å; V333-S335 PolarHBondContact O-N 2.91Å; V333-P347 PolarHBondContact N-O 3.4Å | ||
| 334 | K | 55.5 | Low | 73.3 | Confident | 201 Ų | 201 | 87.2 Ų | 87.2 | 87% | 0.874 | 51% | 0.509 | S | S | * | . | trans | -63.7 | 105.4 | 171.6 | -77.3 | -175.3 | 178.2 | 179.9 | 0 | 108.5 | P332 A336 | P332-K334 PolarHBondContact O-N 2.91Å; P332-K334 VanDerWaalsContact O-N 3.11Å; K334-A336 PolarHBondContact O-N 2.77Å | ||
| 335 | S | 52.1 | Low | 73.1 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | trans | -65.7 | 132.8 | 179.9 | -160.1 | 0 | 0 | 0 | 0 | 111 | V333 T337 E345 | V333-S335 PolarHBondContact O-N 2.91Å; S335-T337 VanDerWaalsContact C-N 3.25Å; S335-T337 WeakPolarHBondContact CB-O 3.45Å; S335-T337 PolarHBondContact OG-N 3.05Å; S335-T337 PolarHBondContact OG-O 3.3Å; S335-E345 VanDerWaalsContact CB-OE2 3.3Å; S335-E345 WeakPolarHBondContact CB-OE2 3.25Å; S335-E345 PolarHBondContact OG-OE1 3.37Å; S335-E345 PolarHBondContact OG-OE2 3.29Å | ||
| 336 | A | 47.1 | Very low | 72.9 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 89% | 0.893 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -83.3 | -4.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K334 | K334-A336 PolarHBondContact O-N 2.77Š|
| 337 | T | 54.1 | Low | 72.8 | Confident | 95 Ų | 95 | 86.8 Ų | 86.8 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -129.6 | 140.5 | -176.9 | 33.8 | 0 | 0 | 0 | 0 | 109.7 | S335 A339 | S335-T337 VanDerWaalsContact C-N 3.25Å; S335-T337 WeakPolarHBondContact CB-O 3.45Å; S335-T337 PolarHBondContact OG-N 3.05Å; S335-T337 PolarHBondContact OG-O 3.3Å; T337-A339 PolarHBondContact O-N 3.38Å |
| 338 | V | 54.1 | Low | 72.8 | Confident | 144 Ų | 144 | 83.9 Ų | 83.9 | 87% | 0.873 | 50% | 0.497 | S | S | * | . | trans | -60 | 114 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | T340 | V338-T340 PolarHBondContact O-N 2.82Š| ||
| 339 | A | 59 | Low | 72.9 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | trans | -52.2 | 130 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T337 | T337-A339 PolarHBondContact O-N 3.38Š| ||
| 340 | T | 65.3 | Low | 73.2 | Confident | 102 Ų | 102 | 78 Ų | 78 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -77.6 | 129.9 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | V338 G342 C343 | V338-T340 PolarHBondContact O-N 2.82Å; T340-G342 PolarHBondContact O-N 3.24Å; T340-C343 PolarHBondContact O-N 2.81Å |
| 341 | E | 67.4 | Low | 73.6 | Confident | 209 Ų | 209 | 77.7 Ų | 77.7 | 98% | 0.977 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -0.7 | -169.1 | -160.9 | 174.9 | 171.7 | 0 | 0 | 116.2 | ||
| 342 | G | 75 | Confident | 74.4 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 9.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T340 | T340-G342 PolarHBondContact O-N 3.24Š|
| 343 | C | 80.3 | Confident | 75.7 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 48% | 0.48 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -136.5 | 70.4 | 179.2 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | T340 | T340-C343 PolarHBondContact O-N 2.81Å |
| 344 | P | 85.5 | Confident | 77.3 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 145.4 | -177.3 | 24.4 | -32.2 | 0 | 0 | 0 | 111.1 | L174 H176 S214 | L174-P344 VanDerWaalsContact O-CG 3.3Å; L174-P344 WeakPolarHBondContact O-CG 3.45Å; H176-P344 PolarHBondContact CE1-O 3.27Å; H176-P344 PolarHBondContact NE2-O 3.49Å; S214-P344 WeakPolarHBondContact CB-O 3.4Å |
| 345 | E | 85.1 | Confident | 79.2 | Confident | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 153.7 | 169.5 | -67.6 | -177.1 | 162.2 | 0 | 0 | 109.6 | S335 | S335-E345 VanDerWaalsContact CB-OE2 3.3Å; S335-E345 WeakPolarHBondContact CB-OE2 3.25Å; S335-E345 PolarHBondContact OG-OE1 3.37Å; S335-E345 PolarHBondContact OG-OE2 3.29Å |
| 346 | L | 88.8 | Confident | 81.3 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 140.3 | 172.3 | -61.4 | 176.6 | 0 | 0 | 0 | 110.3 | F171 L174 V215 H348 L351 | F171-L346 HydrophobicContact CD1-CD2 4.19Å; F171-L346 HydrophobicContact CE1-CD1 4.36Å; F171-L346 HydrophobicContact CE1-CD2 3.97Å; L174-L346 HydrophobicContact CD1-CD2 4.01Å; V215-L346 HydrophobicContact CG1-CD1 4.2Å; V215-L346 WeakPolarHBondContact O-CD1 3.27Å; L346-H348 VanDerWaalsContact C-N 3.29Å; L346-H348 PolarHBondContact O-N 3.45Å; L346-L351 HydrophobicContact CD1-CD1 3.93Å; L346-L351 HydrophobicContact CD2-CD1 4.04Å |
| 347 | P | 87.7 | Confident | 83.2 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63.9 | -35 | -177.5 | 24.4 | -33.8 | 0 | 0 | 0 | 112.7 | L174 P332 V333 | L174-P347 HydrophobicContact CD1-CG 4.46Å; L174-P347 HydrophobicContact CD2-CG 4.06Å; P332-P347 WeakPolarHBondContact CA-O 3.28Å; V333-P347 PolarHBondContact N-O 3.4Å |
| 348 | H | 90.8 | Very high | 84.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | trans | -158.5 | 167.2 | 177.9 | 47.2 | 74 | 0 | 0 | 0 | 109.4 | L330 L346 L350 L351 G395 | L330-H348 HydrophobicContact CD2-CB 4.39Å; L330-H348 VanDerWaalsContact CD2-CE1 3.46Å; L330-H348 WeakPolarHBondContact CD2-CE1 3.32Å; L330-H348 WeakPolarHBondContact CD2-ND1 3.3Å; L346-H348 VanDerWaalsContact C-N 3.29Å; L346-H348 PolarHBondContact O-N 3.45Å; H348-L350 PolarHBondContact CE1-O 2.98Å; H348-L350 PolarHBondContact ND1-O 3.13Å; H348-L351 WeakPolarHBondContact O-CD2 3.47Å; H348-G395 PolarHBondContact CE1-O 3.26Å; H348-G395 PolarHBondContact NE2-O 3.5Å; H348-G395 VanDerWaalsContact NE2-O 3.17Å | ||
| 349 | K | 91.7 | Very high | 86.2 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -72.5 | -48.3 | -177 | -166 | 72.1 | -177.2 | -177.5 | 0 | 112.4 | P217 S253 T304 T305 L351 | P217-K349 PolarHBondContact O-NZ 3.17Å; S253-K349 PolarHBondContact O-NZ 3.05Å; S253-K349 VanDerWaalsContact O-NZ 3.15Å; T304-K349 CarbonylContact O-C 3.57Å; T304-K349 VanDerWaalsContact O-C 3.28Å; T305-K349 VanDerWaalsContact CA-O 3.3Å; T305-K349 WeakPolarHBondContact CA-O 3.24Å; T305-K349 WeakPolarHBondContact OG1-CE 3.4Å; K349-L351 PolarHBondContact O-N 2.82Å; K349-L351 VanDerWaalsContact O-N 3.1Å |
| 350 | L | 95.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -76.5 | 96 | -177.4 | -178.6 | 63 | 0 | 0 | 0 | 110.6 | T304 L307 L321 L329 H348 I353 I396 | T304-L350 HydrophobicContact CG2-CD1 3.92Å; T304-L350 WeakPolarHBondContact O-CA 3.36Å; T304-L350 PolarHBondContact O-N 2.77Å; L307-L350 HydrophobicContact CB-CD1 4.43Å; L321-L350 HydrophobicContact CD1-CD2 4.06Å; L329-L350 HydrophobicContact CD1-CD2 4.27Å; H348-L350 PolarHBondContact CE1-O 2.98Å; H348-L350 PolarHBondContact ND1-O 3.13Å; L350-I353 HydrophobicContact CD1-CG1 4.36Å; L350-I353 HydrophobicContact CD2-CD1 4.4Å; L350-I396 HydrophobicContact CD2-CD1 3.94Å; L350-I396 HydrophobicContact CG-CD1 4.3Å | ||
| 351 | L | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -93.6 | -29.9 | -174.6 | -67.4 | -177.7 | 0 | 0 | 0 | 113.5 | L167 F171 L174 T305 L346 H348 K349 L397 | L167-L351 HydrophobicContact CD2-CB 4.36Å; F171-L351 HydrophobicContact CD1-CD1 4.3Å; F171-L351 HydrophobicContact CE1-CD1 3.47Å; F171-L351 VanDerWaalsContact CE1-CD1 3.47Å; F171-L351 HydrophobicContact CZ-CD1 3.87Å; L174-L351 HydrophobicContact CD1-CD1 4.46Å; L174-L351 HydrophobicContact CD1-CD2 4.02Å; T305-L351 HydrophobicContact CG2-CD1 4.25Å; T305-L351 HydrophobicContact CG2-CG 4.46Å; T305-L351 PolarHBondContact O-N 3.29Å; L346-L351 HydrophobicContact CD1-CD1 3.93Å; L346-L351 HydrophobicContact CD2-CD1 4.04Å; H348-L351 WeakPolarHBondContact O-CD2 3.47Å; K349-L351 PolarHBondContact O-N 2.82Å; K349-L351 VanDerWaalsContact O-N 3.1Å; L351-L397 PolarHBondContact O-N 3.16Å | ||
| 352 | A | 97.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I163 L167 T305 C306 L307 L397 | I163-A352 HydrophobicContact CD1-CB 3.92Å; I163-A352 HydrophobicContact CG1-CB 4.23Å; L167-A352 HydrophobicContact CD2-CB 3.66Å; L167-A352 HydrophobicContact CG-CB 4.17Å; T305-A352 PolarHBondContact O-N 2.91Å; C306-A352 WeakPolarHBondContact CA-O 3.25Å; L307-A352 PolarHBondContact N-O 3.18Å; A352-L397 CarbonylContact C-O 3.54Å; A352-L397 WeakPolarHBondContact CA-O 3.48Å; A352-L397 HydrophobicContact CB-CB 4.05Å; A352-L397 HydrophobicContact CB-CD2 4.41Å |
| 353 | I | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 119 | 171.6 | -58.8 | 172.7 | 0 | 0 | 0 | 108.2 | L307 L321 L350 D355 I364 F366 I396 L397 M398 C399 | L307-I353 HydrophobicContact CB-CB 4.4Å; L307-I353 HydrophobicContact CB-CG1 4.02Å; L307-I353 HydrophobicContact CB-CG2 4.25Å; L307-I353 HydrophobicContact CD2-CD1 4.46Å; L307-I353 HydrophobicContact CD2-CG1 4.3Å; L307-I353 HydrophobicContact CD2-CG2 4.08Å; L307-I353 HydrophobicContact CG-CG2 4.28Å; L307-I353 CarbonylContact O-C 3.57Å; L307-I353 WeakPolarHBondContact O-CA 3.25Å; L321-I353 HydrophobicContact CD1-CD1 4.19Å; L350-I353 HydrophobicContact CD1-CG1 4.36Å; L350-I353 HydrophobicContact CD2-CD1 4.4Å; I353-D355 HydrophobicContact CG2-CB 4.35Å; I353-I364 HydrophobicContact CD1-CG2 4.39Å; I353-I364 HydrophobicContact CG2-CG1 4.46Å; I353-F366 HydrophobicContact CD1-CE2 4.07Å; I353-F366 HydrophobicContact CD1-CZ 3.91Å; I353-I396 HydrophobicContact CB-CG2 4.36Å; I353-I396 HydrophobicContact CD1-CD1 4.21Å; I353-I396 HydrophobicContact CD1-CG2 3.97Å; I353-I396 HydrophobicContact CG1-CG2 3.75Å; I353-L397 PolarHBondContact N-O 2.87Å; I353-M398 HydrophobicContact CB-CE 3.94Å; I353-M398 HydrophobicContact CB-SD 3.74Å; I353-M398 HydrophobicContact CD1-CE 4.31Å; I353-M398 HydrophobicContact CD1-SD 3.91Å; I353-M398 HydrophobicContact CG1-SD 4.18Å; I353-M398 HydrophobicContact CG2-CE 4Å; I353-M398 HydrophobicContact CG2-SD 4.46Å; I353-M398 WeakPolarHBondContact O-CA 3.39Å; I353-C399 PolarHBondContact O-N 2.97Å |
| 354 | C | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 99.4 | 163.6 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | G159 I163 L307 N309 I356 C399 | G159-C354 PolarHBondContact O-SG 3.41Å; I163-C354 HydrophobicContact CB-CB 3.7Å; I163-C354 HydrophobicContact CD1-CB 3.92Å; I163-C354 HydrophobicContact CG1-CB 3.72Å; I163-C354 HydrophobicContact CG2-CB 4.09Å; L307-C354 PolarHBondContact O-N 3.06Å; N309-C354 PolarHBondContact N-O 2.84Å; C354-I356 PolarHBondContact O-N 2.95Å; C354-C399 CarbonylContact C-O 3.47Å; C354-C399 VanDerWaalsContact CA-O 3.26Å; C354-C399 WeakPolarHBondContact CA-O 3.45Å |
| 355 | D | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 89.2 | 176.4 | -168 | 15.2 | 0 | 0 | 0 | 111.3 | N309 I353 S357 A358 M367 C399 S400 | N309-D355 PolarHBondContact ND2-OD1 3.26Å; I353-D355 HydrophobicContact CG2-CB 4.35Å; D355-S357 VanDerWaalsContact C-N 3.26Å; D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 PolarHBondContact OD1-N 2.91Å; D355-S357 PolarHBondContact OD1-OG 2.99Å; D355-A358 PolarHBondContact O-N 3.33Å; D355-M367 WeakPolarHBondContact OD2-CE 3.31Å; D355-C399 PolarHBondContact N-O 2.81Å; D355-S400 WeakPolarHBondContact O-CA 3.29Å; D355-S400 PolarHBondContact O-OG 3.46Å |
| 356 | I | 94.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 9% | 0.087 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -76.5 | -16.8 | -177.8 | -55.8 | 177 | 0 | 0 | 0 | 111.3 | A155 V228 I308 N309 C354 A358 L404 | A155-I356 HydrophobicContact CB-CG2 3.83Å; V228-I356 HydrophobicContact CG1-CB 3.83Å; V228-I356 HydrophobicContact CG1-CD1 3.84Å; V228-I356 HydrophobicContact CG1-CG1 4.43Å; V228-I356 HydrophobicContact CG1-CG2 3.43Å; V228-I356 VanDerWaalsContact CG1-CG2 3.43Å; V228-I356 HydrophobicContact CG2-CG2 4.42Å; I308-I356 HydrophobicContact CG2-CD1 3.8Å; N309-I356 WeakPolarHBondContact O-CA 3.15Å; N309-I356 WeakPolarHBondContact O-CB 3.38Å; N309-I356 PolarHBondContact O-N 3.31Å; C354-I356 PolarHBondContact O-N 2.95Å; I356-A358 VanDerWaalsContact C-N 3.25Å; I356-L404 HydrophobicContact CB-CD1 4.25Å; I356-L404 HydrophobicContact CG1-CD1 3.98Å; I356-L404 HydrophobicContact CG2-CD1 3.8Å |
| 357 | S | 88.3 | Confident | 91.2 | Very high | 27 Ų | 27 | 18.5 Ų | 18.5 | 19% | 0.189 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -67.8 | -32.3 | 173.3 | 97.1 | 0 | 0 | 0 | 0 | 111.1 | N309 I311 D355 D359 | N309-S357 PolarHBondContact O-N 3.14Å; I311-S357 VanDerWaalsContact O-CB 3.31Å; I311-S357 WeakPolarHBondContact O-CB 3.23Å; D355-S357 VanDerWaalsContact C-N 3.26Å; D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 PolarHBondContact OD1-N 2.91Å; D355-S357 PolarHBondContact OD1-OG 2.99Å; S357-D359 VanDerWaalsContact CB-OD2 3.29Å; S357-D359 WeakPolarHBondContact CB-OD2 3.36Å; S357-D359 PolarHBondContact O-N 3.23Å; S357-D359 PolarHBondContact OG-OD2 2.82Å |
| 358 | A | 87.4 | Confident | 90.8 | Very high | 16 Ų | 16 | 20 Ų | 20 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | trans | 54.3 | 38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D355 I356 C370 S400 D402 | D355-A358 PolarHBondContact O-N 3.33Å; I356-A358 VanDerWaalsContact C-N 3.25Å; A358-C370 PolarHBondContact O-SG 2.65Å; A358-S400 WeakPolarHBondContact CA-OG 3.34Å; A358-D402 HydrophobicContact CB-CB 4.18Å | ||
| 359 | D | 83.8 | Confident | 90.4 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 31% | 0.305 | 15% | 0.15 | S | C | . | . | trans | -95.1 | 104.9 | 178.5 | -63.4 | -58.7 | 0 | 0 | 0 | 111.2 | S357 G361 G362 M367 | S357-D359 VanDerWaalsContact CB-OD2 3.29Å; S357-D359 WeakPolarHBondContact CB-OD2 3.36Å; S357-D359 PolarHBondContact O-N 3.23Å; S357-D359 PolarHBondContact OG-OD2 2.82Å; D359-G361 PolarHBondContact O-N 3.27Å; D359-G362 WeakPolarHBondContact O-CA 3.3Å; D359-G362 PolarHBondContact O-N 2.9Å; D359-M367 VanDerWaalsContact N-CE 3.35Å; D359-M367 WeakPolarHBondContact O-CE 3.39Å | ||
| 360 | T | 82.1 | Confident | 90.2 | Very high | 90 Ų | 90 | 26.5 Ų | 26.5 | 55% | 0.552 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 127.5 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | G362 M367 T368 | T360-G362 PolarHBondContact O-N 3.18Å; T360-M367 CarbonylContact C-O 3.59Å; T360-M367 WeakPolarHBondContact CA-O 3.46Å; T360-M367 HydrophobicContact CG2-SD 4.17Å; T360-T368 WeakPolarHBondContact CB-O 3.41Å; T360-T368 VanDerWaalsContact CG2-O 3.3Å; T360-T368 WeakPolarHBondContact CG2-O 3.38Å |
| 361 | G | 83 | Confident | 90 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 26% | 0.258 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 28.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R319 D359 M367 | R319-G361 VanDerWaalsContact NH1-C 3.29Å; R319-G361 PolarHBondContact NH1-O 2.81Å; R319-G361 PolarHBondContact NH2-O 3.06Å; D359-G361 PolarHBondContact O-N 3.27Å; G361-M367 PolarHBondContact N-O 2.86Å |
| 362 | G | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -90.5 | -133.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R319 D359 T360 I364 | R319-G362 PolarHBondContact NH1-O 3.44Å; D359-G362 WeakPolarHBondContact O-CA 3.3Å; D359-G362 PolarHBondContact O-N 2.9Å; T360-G362 PolarHBondContact O-N 3.18Å; G362-I364 PolarHBondContact O-N 3.14Å; G362-I364 VanDerWaalsContact O-N 3.11Å |
| 363 | S | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -61.4 | -22.8 | -176.4 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | N309 L320 L321 | N309-S363 PolarHBondContact ND2-OG 3.19Å; L320-S363 PolarHBondContact N-O 2.92Å; L321-S363 PolarHBondContact N-O 2.8Å |
| 364 | I | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -109.2 | 106 | 168.1 | -53.8 | -61.2 | 0 | 0 | 0 | 107.5 | L307 L320 L321 I353 G362 F366 M367 M398 | L307-I364 HydrophobicContact CD2-CD1 3.96Å; L320-I364 HydrophobicContact CB-CD1 4.09Å; L320-I364 HydrophobicContact CD1-CD1 4.45Å; L321-I364 HydrophobicContact CB-CD1 4.26Å; L321-I364 HydrophobicContact CD1-CD1 4.3Å; L321-I364 HydrophobicContact CG-CD1 4.41Å; I353-I364 HydrophobicContact CD1-CG2 4.39Å; I353-I364 HydrophobicContact CG2-CG1 4.46Å; G362-I364 PolarHBondContact O-N 3.14Å; G362-I364 VanDerWaalsContact O-N 3.11Å; I364-F366 VanDerWaalsContact C-N 3.3Å; I364-F366 HydrophobicContact CG2-CD1 4.22Å; I364-F366 HydrophobicContact CG2-CD2 3.88Å; I364-F366 HydrophobicContact CG2-CE1 3.81Å; I364-F366 HydrophobicContact CG2-CE2 3.46Å; I364-F366 VanDerWaalsContact CG2-CE2 3.46Å; I364-F366 HydrophobicContact CG2-CG 4.25Å; I364-F366 HydrophobicContact CG2-CZ 3.43Å; I364-F366 VanDerWaalsContact CG2-CZ 3.43Å; I364-F366 PolarHBondContact O-N 3.24Å; I364-M367 HydrophobicContact CB-CB 4.39Å; I364-M367 HydrophobicContact CG2-CB 4.4Å; I364-M367 PolarHBondContact O-N 3.18Å; I364-M398 HydrophobicContact CG2-CE 4.13Å |
| 365 | E | 91.8 | Very high | 88.9 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -35.2 | -167.3 | -174.7 | 179.6 | -155.5 | 0 | 0 | 114.9 | R319 L321 S322 R323 M367 | R319-E365 VanDerWaalsContact NH1-CA 3.29Å; L321-E365 PolarHBondContact O-N 2.82Å; S322-E365 WeakPolarHBondContact CA-OE2 3.19Å; S322-E365 WeakPolarHBondContact CB-OE2 3.26Å; R323-E365 HydrophobicContact CG-CG 4.29Å; R323-E365 PolarHBondContact N-OE2 2.71Å; E365-M367 VanDerWaalsContact C-N 3.3Å |
| 366 | F | 88.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.6 | -176 | 47.5 | -93.6 | 0 | 0 | 0 | 114 | L321 R323 A326 I353 I364 T368 Y380 I396 M398 | L321-F366 HydrophobicContact CB-CE1 3.97Å; L321-F366 HydrophobicContact CB-CZ 4.46Å; L321-F366 HydrophobicContact CD1-CZ 4.39Å; R323-F366 HydrophobicContact CG-CB 4.05Å; A326-F366 HydrophobicContact CB-CD1 4.05Å; A326-F366 HydrophobicContact CB-CE1 3.66Å; A326-F366 HydrophobicContact CB-CZ 4.16Å; I353-F366 HydrophobicContact CD1-CE2 4.07Å; I353-F366 HydrophobicContact CD1-CZ 3.91Å; I364-F366 VanDerWaalsContact C-N 3.3Å; I364-F366 HydrophobicContact CG2-CD1 4.22Å; I364-F366 HydrophobicContact CG2-CD2 3.88Å; I364-F366 HydrophobicContact CG2-CE1 3.81Å; I364-F366 HydrophobicContact CG2-CE2 3.46Å; I364-F366 VanDerWaalsContact CG2-CE2 3.46Å; I364-F366 HydrophobicContact CG2-CG 4.25Å; I364-F366 HydrophobicContact CG2-CZ 3.43Å; I364-F366 VanDerWaalsContact CG2-CZ 3.43Å; I364-F366 PolarHBondContact O-N 3.24Å; F366-T368 PolarHBondContact O-N 3.34Å; F366-T368 VanDerWaalsContact O-N 3.08Å; F366-Y380 HydrophobicContact CB-CD1 4.17Å; F366-Y380 HydrophobicContact CB-CD2 4Å; F366-Y380 HydrophobicContact CB-CE1 3.64Å; F366-Y380 HydrophobicContact CB-CE2 3.47Å; F366-Y380 VanDerWaalsContact CB-CE2 3.47Å; F366-Y380 HydrophobicContact CB-CG 4.32Å; F366-Y380 WeakPolarHBondContact CB-OH 3.39Å; F366-Y380 HydrophobicContact CD1-CD1 4.42Å; F366-Y380 AromaticContact CD1-CE1 3.84Å; F366-Y380 HydrophobicContact CD1-CE1 3.84Å; F366-Y380 AromaticContact CD2-CD1 3.27Å; F366-Y380 HydrophobicContact CD2-CD1 3.27Å; F366-Y380 HydrophobicContact CD2-CD2 4.11Å; F366-Y380 AromaticContact CD2-CE1 3.49Å; F366-Y380 HydrophobicContact CD2-CE1 3.49Å; F366-Y380 VanDerWaalsContact CD2-CE1 3.49Å; F366-Y380 HydrophobicContact CD2-CE2 4.31Å; F366-Y380 AromaticContact CD2-CG 3.6Å; F366-Y380 HydrophobicContact CD2-CG 3.6Å; F366-Y380 HydrophobicContact CE1-CE1 4.36Å; F366-Y380 AromaticContact CE2-CD1 3.64Å; F366-Y380 HydrophobicContact CE2-CD1 3.64Å; F366-Y380 HydrophobicContact CE2-CE1 4.04Å; F366-Y380 HydrophobicContact CE2-CG 4.22Å; F366-Y380 AromaticContact CG-CD1 3.71Å; F366-Y380 HydrophobicContact CG-CD1 3.71Å; F366-Y380 HydrophobicContact CG-CD2 4.37Å; F366-Y380 AromaticContact CG-CE1 3.36Å; F366-Y380 HydrophobicContact CG-CE1 3.36Å; F366-Y380 HydrophobicContact CG-CE2 4.11Å; F366-Y380 HydrophobicContact CG-CG 4.19Å; F366-Y380 AromaticContact CG-CZ 3.59Å; F366-Y380 HydrophobicContact CZ-CD1 4.36Å; F366-Y380 HydrophobicContact CZ-CE1 4.44Å; F366-I396 HydrophobicContact CE2-CD1 4.37Å; F366-I396 HydrophobicContact CZ-CD1 4.21Å; F366-M398 HydrophobicContact CD2-CE 4.49Å; F366-M398 HydrophobicContact CD2-SD 4.44Å; F366-M398 HydrophobicContact CE2-CE 4.11Å; F366-M398 HydrophobicContact CE2-SD 3.85Å |
| 367 | M | 88.2 | Confident | 88.7 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | trans | -78.9 | 89.1 | 168.9 | -166 | -78.3 | -80.1 | 0 | 0 | 108.3 | D355 D359 T360 G361 I364 E365 E369 M398 S400 | D355-M367 WeakPolarHBondContact OD2-CE 3.31Å; D359-M367 VanDerWaalsContact N-CE 3.35Å; D359-M367 WeakPolarHBondContact O-CE 3.39Å; T360-M367 CarbonylContact C-O 3.59Å; T360-M367 WeakPolarHBondContact CA-O 3.46Å; T360-M367 HydrophobicContact CG2-SD 4.17Å; G361-M367 PolarHBondContact N-O 2.86Å; I364-M367 HydrophobicContact CB-CB 4.39Å; I364-M367 HydrophobicContact CG2-CB 4.4Å; I364-M367 PolarHBondContact O-N 3.18Å; E365-M367 VanDerWaalsContact C-N 3.3Å; M367-E369 VanDerWaalsContact SD-O 3.33Å; M367-M398 HydrophobicContact CB-CE 4.3Å; M367-M398 HydrophobicContact CG-CE 4.37Å; M367-S400 WeakPolarHBondContact CE-OG 3.27Å | ||
| 368 | T | 79.9 | Confident | 88.8 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | trans | -85.3 | -26.6 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 113 | T360 F366 I387 | T360-T368 WeakPolarHBondContact CB-O 3.41Å; T360-T368 VanDerWaalsContact CG2-O 3.3Å; T360-T368 WeakPolarHBondContact CG2-O 3.38Å; F366-T368 PolarHBondContact O-N 3.34Å; F366-T368 VanDerWaalsContact O-N 3.08Å; T368-I387 WeakPolarHBondContact OG1-CD1 3.47Å | ||
| 369 | E | 81.6 | Confident | 89 | Confident | 148 Ų | 148 | 39 Ų | 39 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -140.6 | 144.4 | -178 | -62.8 | -173.2 | 174.3 | 0 | 0 | 110.6 | M367 | M367-E369 VanDerWaalsContact SD-O 3.33Š|
| 370 | C | 87.7 | Confident | 89.3 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | trans | -78.1 | 131.1 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | A358 S400 | A358-C370 PolarHBondContact O-SG 2.65Å; C370-S400 CarbonylContact C-O 3.54Å; C370-S400 VanDerWaalsContact CA-O 3.27Å; C370-S400 WeakPolarHBondContact CA-O 3.4Å; C370-S400 VanDerWaalsContact CB-O 3.25Å; C370-S400 WeakPolarHBondContact CB-O 3.23Å | ||
| 371 | T | 91.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 156.7 | 167.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | S375 P376 C378 S400 I401 | T371-S375 WeakPolarHBondContact CB-O 3.3Å; T371-P376 PolarHBondContact OG1-O 3.2Å; T371-C378 HydrophobicContact CG2-CB 4.47Å; T371-S400 PolarHBondContact N-O 3.17Å; T371-S400 WeakPolarHBondContact OG1-CA 3.47Å; T371-S400 PolarHBondContact OG1-N 3.03Å; T371-S400 PolarHBondContact OG1-O 2.9Å; T371-S400 VanDerWaalsContact OG1-O 3.1Å; T371-I401 WeakPolarHBondContact O-CA 3.26Å; T371-I401 VanDerWaalsContact OG1-CG1 3.31Å; T371-I401 WeakPolarHBondContact OG1-CG1 3.38Å; T371-I401 PolarHBondContact OG1-N 3.12Å |
| 372 | T | 91.9 | Very high | 89.4 | Confident | 68 Ų | 68 | 31.8 Ų | 31.8 | 42% | 0.417 | 18% | 0.178 | S | C | . | . | trans | -107.4 | 171.3 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 111 | D374 S375 P376 | T372-D374 PolarHBondContact O-N 2.75Å; T372-D374 PolarHBondContact OG1-N 3.06Å; T372-S375 PolarHBondContact N-O 3.17Å; T372-S375 VanDerWaalsContact N-O 3.12Å; T372-S375 CarbonylContact O-C 3.56Å; T372-S375 PolarHBondContact O-N 3.39Å; T372-S375 VanDerWaalsContact O-O 3.13Å; T372-S375 PolarHBondContact OG1-N 2.67Å; T372-P376 WeakPolarHBondContact O-CA 3.39Å; T372-P376 VanDerWaalsContact O-N 3.11Å | ||
| 373 | I | 92.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -66.3 | -30.6 | 173.3 | -60.9 | 168 | 0 | 0 | 0 | 110.8 | W37 I401 N403 A406 Q407 | W37-I373 HydrophobicContact CB-CD1 3.76Å; W37-I373 HydrophobicContact CD2-CB 3.86Å; W37-I373 HydrophobicContact CD2-CD1 3.78Å; W37-I373 HydrophobicContact CD2-CG1 4.43Å; W37-I373 HydrophobicContact CD2-CG2 3.69Å; W37-I373 HydrophobicContact CE3-CB 4.38Å; W37-I373 HydrophobicContact CE3-CD1 4.04Å; W37-I373 HydrophobicContact CE3-CG2 3.74Å; W37-I373 HydrophobicContact CG-CB 4.19Å; W37-I373 HydrophobicContact CG-CD1 3.65Å; W37-I373 HydrophobicContact CG-CG1 4.47Å; W37-I373 HydrophobicContact CH2-CG2 3.48Å; W37-I373 VanDerWaalsContact CH2-CG2 3.48Å; W37-I373 HydrophobicContact CZ2-CB 4.02Å; W37-I373 HydrophobicContact CZ2-CG2 3.42Å; W37-I373 VanDerWaalsContact CZ2-CG2 3.42Å; W37-I373 HydrophobicContact CZ3-CG2 3.64Å; I373-I401 HydrophobicContact CG1-CD1 4.46Å; I373-I401 HydrophobicContact CG1-CG2 3.83Å; I373-N403 WeakPolarHBondContact CD1-OD1 3.43Å; I373-N403 WeakPolarHBondContact CG1-OD1 3.33Å; I373-A406 HydrophobicContact CD1-CB 4.33Å; I373-Q407 HydrophobicContact CD1-CG 3.7Å; I373-Q407 HydrophobicContact CG1-CG 4Å; I373-Q407 HydrophobicContact CG2-CG 4.05Å |
| 374 | D | 89.4 | Confident | 87 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 62% | 0.62 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -72.4 | -37.9 | 177.8 | -56.9 | -72.8 | 0 | 0 | 0 | 112.3 | W37 T372 P376 | W37-D374 WeakPolarHBondContact CZ2-OD1 3.49Å; W37-D374 PolarHBondContact NE1-OD1 2.95Å; W37-D374 PolarHBondContact NE1-OD2 2.89Å; T372-D374 PolarHBondContact O-N 2.75Å; T372-D374 PolarHBondContact OG1-N 3.06Å; D374-P376 WeakPolarHBondContact O-CD 3.3Å |
| 375 | S | 91.6 | Very high | 85.6 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -124.4 | 79.2 | 173.8 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | T371 T372 F377 | T371-S375 WeakPolarHBondContact CB-O 3.3Å; T372-S375 PolarHBondContact N-O 3.17Å; T372-S375 VanDerWaalsContact N-O 3.12Å; T372-S375 CarbonylContact O-C 3.56Å; T372-S375 PolarHBondContact O-N 3.39Å; T372-S375 VanDerWaalsContact O-O 3.13Å; T372-S375 PolarHBondContact OG1-N 2.67Å; S375-F377 PolarHBondContact O-N 2.88Å |
| 376 | P | 91.7 | Very high | 84.1 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | trans | -79.9 | -11.5 | -166.1 | 30.8 | -37.5 | 0 | 0 | 0 | 115.6 | M185 T371 T372 D374 C399 I401 | M185-P376 HydrophobicContact CE-CB 3.4Å; M185-P376 HydrophobicContact CE-CG 3.58Å; M185-P376 HydrophobicContact SD-CB 4.46Å; M185-P376 HydrophobicContact SD-CG 4.25Å; T371-P376 PolarHBondContact OG1-O 3.2Å; T372-P376 WeakPolarHBondContact O-CA 3.39Å; T372-P376 VanDerWaalsContact O-N 3.11Å; D374-P376 WeakPolarHBondContact O-CD 3.3Å; P376-C399 PolarHBondContact O-SG 3.14Å; P376-I401 HydrophobicContact CB-CD1 3.85Å | ||
| 377 | F | 94.3 | Very high | 83.4 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | trans | -133.3 | 144.9 | -178.8 | -50.8 | -68.4 | 0 | 0 | 0 | 111 | N162 H165 L169 M185 S375 L397 M398 C399 | N162-F377 WeakPolarHBondContact O-CE1 3.43Å; N162-F377 WeakPolarHBondContact O-CZ 3.49Å; H165-F377 AromaticContact CD2-CE2 3.62Å; H165-F377 AromaticContact CD2-CZ 3.83Å; L169-F377 HydrophobicContact CD1-CD2 4.42Å; L169-F377 HydrophobicContact CD1-CE2 4.31Å; M185-F377 HydrophobicContact CE-CZ 4.42Å; M185-F377 HydrophobicContact SD-CE2 3.79Å; M185-F377 HydrophobicContact SD-CZ 3.67Å; S375-F377 PolarHBondContact O-N 2.88Å; F377-L397 HydrophobicContact CB-CD1 3.83Å; F377-L397 HydrophobicContact CB-CG 4.4Å; F377-L397 HydrophobicContact CD1-CD1 4.45Å; F377-L397 HydrophobicContact CD1-CD2 4.03Å; F377-L397 HydrophobicContact CD1-CG 4.23Å; F377-L397 HydrophobicContact CE1-CD2 4.48Å; F377-L397 HydrophobicContact CG-CD1 4.26Å; F377-M398 VanDerWaalsContact CA-O 3.3Å; F377-M398 WeakPolarHBondContact CA-O 3.48Å; F377-C399 HydrophobicContact CD1-CB 3.86Å; F377-C399 HydrophobicContact CE1-CB 3.94Å | ||
| 378 | C | 91.9 | Very high | 82.7 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.7 | 163.3 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | T371 I387 M398 | T371-C378 HydrophobicContact CG2-CB 4.47Å; C378-I387 HydrophobicContact CB-CG2 3.52Å; C378-I387 VanDerWaalsContact SG-CG2 3.58Å; C378-M398 PolarHBondContact N-O 2.87Å; C378-M398 VanDerWaalsContact N-O 3.1Å; C378-M398 PolarHBondContact O-N 3.04Å |
| 379 | M | 91.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.1 | 174.3 | -78.6 | -64.5 | -60 | 0 | 0 | 109.7 | I387 H388 S390 G395 I396 L397 | M379-I387 VanDerWaalsContact O-CA 3.26Å; M379-I387 WeakPolarHBondContact O-CA 3.43Å; M379-H388 WeakPolarHBondContact CB-CE1 3.3Å; M379-H388 PolarHBondContact N-O 3.03Å; M379-H388 PolarHBondContact O-N 3Å; M379-S390 WeakPolarHBondContact CB-O 3.3Å; M379-S390 WeakPolarHBondContact CG-O 3.27Å; M379-G395 WeakPolarHBondContact CE-O 3.26Å; M379-I396 WeakPolarHBondContact CA-O 3.2Å; M379-L397 VanDerWaalsContact SD-CA 3.56Å; M379-L397 HydrophobicContact SD-CB 3.93Å; M379-L397 HydrophobicContact SD-CD1 3.92Å |
| 380 | Y | 89.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.9 | 170.6 | 176.6 | -110.6 | 0 | 0 | 0 | 110.6 | A326 F366 A382 H385 I387 G395 I396 | A326-Y380 HydrophobicContact CB-CE1 3.83Å; F366-Y380 HydrophobicContact CB-CD1 4.17Å; F366-Y380 HydrophobicContact CB-CD2 4Å; F366-Y380 HydrophobicContact CB-CE1 3.64Å; F366-Y380 HydrophobicContact CB-CE2 3.47Å; F366-Y380 VanDerWaalsContact CB-CE2 3.47Å; F366-Y380 HydrophobicContact CB-CG 4.32Å; F366-Y380 WeakPolarHBondContact CB-OH 3.39Å; F366-Y380 HydrophobicContact CD1-CD1 4.42Å; F366-Y380 AromaticContact CD1-CE1 3.84Å; F366-Y380 HydrophobicContact CD1-CE1 3.84Å; F366-Y380 AromaticContact CD2-CD1 3.27Å; F366-Y380 HydrophobicContact CD2-CD1 3.27Å; F366-Y380 HydrophobicContact CD2-CD2 4.11Å; F366-Y380 AromaticContact CD2-CE1 3.49Å; F366-Y380 HydrophobicContact CD2-CE1 3.49Å; F366-Y380 VanDerWaalsContact CD2-CE1 3.49Å; F366-Y380 HydrophobicContact CD2-CE2 4.31Å; F366-Y380 AromaticContact CD2-CG 3.6Å; F366-Y380 HydrophobicContact CD2-CG 3.6Å; F366-Y380 HydrophobicContact CE1-CE1 4.36Å; F366-Y380 AromaticContact CE2-CD1 3.64Å; F366-Y380 HydrophobicContact CE2-CD1 3.64Å; F366-Y380 HydrophobicContact CE2-CE1 4.04Å; F366-Y380 HydrophobicContact CE2-CG 4.22Å; F366-Y380 AromaticContact CG-CD1 3.71Å; F366-Y380 HydrophobicContact CG-CD1 3.71Å; F366-Y380 HydrophobicContact CG-CD2 4.37Å; F366-Y380 AromaticContact CG-CE1 3.36Å; F366-Y380 HydrophobicContact CG-CE1 3.36Å; F366-Y380 HydrophobicContact CG-CE2 4.11Å; F366-Y380 HydrophobicContact CG-CG 4.19Å; F366-Y380 AromaticContact CG-CZ 3.59Å; F366-Y380 HydrophobicContact CZ-CD1 4.36Å; F366-Y380 HydrophobicContact CZ-CE1 4.44Å; Y380-A382 HydrophobicContact CE1-CB 3.85Å; Y380-H385 PolarHBondContact OH-ND1 3.11Å; Y380-I387 HydrophobicContact CD2-CG1 4.15Å; Y380-G395 WeakPolarHBondContact O-CA 3.05Å; Y380-I396 PolarHBondContact N-O 2.86Å; Y380-I396 PolarHBondContact O-N 3.24Å |
| 381 | D | 84.8 | Confident | 81.9 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.9 | 169.9 | -174.8 | -33.2 | 0 | 0 | 0 | 109.2 | D383 Q384 H385 I386 | D381-D383 WeakPolarHBondContact OD1-CA 3.31Å; D381-D383 WeakPolarHBondContact OD1-CB 3.42Å; D381-D383 PolarHBondContact OD1-N 3.48Å; D381-Q384 HydrophobicContact CB-CB 4.47Å; D381-Q384 PolarHBondContact OD1-N 3.4Å; D381-Q384 VanDerWaalsContact OD1-N 3.07Å; D381-H385 WeakPolarHBondContact O-CA 3.29Å; D381-H385 PolarHBondContact O-N 2.95Å; D381-I386 PolarHBondContact N-O 3.34Å; D381-I386 PolarHBondContact O-N 2.95Å |
| 382 | A | 81.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | A326 Q327 L330 Y380 H385 | A326-A382 HydrophobicContact CB-CB 3.88Å; Q327-A382 HydrophobicContact CG-CB 3.94Å; Q327-A382 WeakPolarHBondContact CG-O 3.49Å; Q327-A382 PolarHBondContact NE2-O 3.35Å; L330-A382 HydrophobicContact CD1-CB 3.6Å; L330-A382 HydrophobicContact CG-CB 4.46Å; Y380-A382 HydrophobicContact CE1-CB 3.85Å; A382-H385 PolarHBondContact O-CE1 3.19Å; A382-H385 PolarHBondContact O-ND1 3.07Å |
| 383 | D | 72.8 | Confident | 80.7 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -42.6 | -179.7 | -70.7 | -21.2 | 0 | 0 | 0 | 110.6 | D381 | D381-D383 WeakPolarHBondContact OD1-CA 3.31Å; D381-D383 WeakPolarHBondContact OD1-CB 3.42Å; D381-D383 PolarHBondContact OD1-N 3.48Å |
| 384 | Q | 60.3 | Low | 80.1 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -15.7 | -179.8 | -55.3 | -173.3 | 12.9 | 0 | 0 | 112.8 | D381 I386 | D381-Q384 HydrophobicContact CB-CB 4.47Å; D381-Q384 PolarHBondContact OD1-N 3.4Å; D381-Q384 VanDerWaalsContact OD1-N 3.07Å; Q384-I386 HydrophobicContact CB-CB 4.2Å; Q384-I386 HydrophobicContact CB-CD1 3.81Å; Q384-I386 HydrophobicContact CB-CG1 3.75Å; Q384-I386 PolarHBondContact O-N 2.84Å |
| 385 | H | 65 | Low | 80.1 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.7 | -169.1 | -61.6 | -45.9 | 0 | 0 | 0 | 113.5 | Q327 Y380 D381 A382 | Q327-H385 PolarHBondContact NE2-CE1 3.33Å; Q327-H385 PolarHBondContact NE2-NE2 3.34Å; Q327-H385 VanDerWaalsContact NE2-NE2 3.17Å; Y380-H385 PolarHBondContact OH-ND1 3.11Å; D381-H385 WeakPolarHBondContact O-CA 3.29Å; D381-H385 PolarHBondContact O-N 2.95Å; A382-H385 PolarHBondContact O-CE1 3.19Å; A382-H385 PolarHBondContact O-ND1 3.07Å |
| 386 | I | 60.7 | Low | 80.2 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 42% | 0.415 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 140.8 | -179.7 | -62.7 | 179.6 | 0 | 0 | 0 | 109 | D381 Q384 | D381-I386 PolarHBondContact N-O 3.34Å; D381-I386 PolarHBondContact O-N 2.95Å; Q384-I386 HydrophobicContact CB-CB 4.2Å; Q384-I386 HydrophobicContact CB-CD1 3.81Å; Q384-I386 HydrophobicContact CB-CG1 3.75Å; Q384-I386 PolarHBondContact O-N 2.84Å |
| 387 | I | 73 | Confident | 80.4 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.1 | 166.6 | -61.4 | 175.9 | 0 | 0 | 0 | 107.3 | T368 C378 M379 Y380 | T368-I387 WeakPolarHBondContact OG1-CD1 3.47Å; C378-I387 HydrophobicContact CB-CG2 3.52Å; C378-I387 VanDerWaalsContact SG-CG2 3.58Å; M379-I387 VanDerWaalsContact O-CA 3.26Å; M379-I387 WeakPolarHBondContact O-CA 3.43Å; Y380-I387 HydrophobicContact CD2-CG1 4.15Å |
| 388 | H | 73.6 | Confident | 80.4 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.8 | 175.9 | 67.2 | 69.5 | 0 | 0 | 0 | 112.4 | M379 S390 E392 | M379-H388 WeakPolarHBondContact CB-CE1 3.3Å; M379-H388 PolarHBondContact N-O 3.03Å; M379-H388 PolarHBondContact O-N 3Å; H388-S390 PolarHBondContact CE1-O 3.32Å; H388-S390 PolarHBondContact ND1-N 2.62Å; H388-S390 PolarHBondContact ND1-O 3.11Å; H388-E392 PolarHBondContact CE1-O 3.32Å |
| 389 | D | 75.6 | Confident | 80.6 | Confident | 132 Ų | 132 | 47.1 Ų | 47.1 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -81.9 | -14.7 | -173.2 | -62.2 | -28 | 0 | 0 | 0 | 114.1 | ||
| 390 | S | 76.6 | Confident | 80.8 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | trans | -70.1 | 141.1 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | M379 H388 E392 | M379-S390 WeakPolarHBondContact CB-O 3.3Å; M379-S390 WeakPolarHBondContact CG-O 3.27Å; H388-S390 PolarHBondContact CE1-O 3.32Å; H388-S390 PolarHBondContact ND1-N 2.62Å; H388-S390 PolarHBondContact ND1-O 3.11Å; S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 WeakPolarHBondContact OG-CB 3.5Å; S390-E392 PolarHBondContact OG-N 2.99Å; S390-E392 VanDerWaalsContact OG-N 3.14Å | ||
| 391 | V | 80.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -87 | -1.1 | 171.2 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | R170 A173 L397 | R170-V391 PolarHBondContact NH1-O 3.11Å; A173-V391 HydrophobicContact CB-CG2 4.1Å; A173-V391 WeakPolarHBondContact CB-O 3.46Å; V391-L397 HydrophobicContact CB-CD1 4.32Å; V391-L397 HydrophobicContact CG1-CD1 3.69Å |
| 392 | E | 80.5 | Confident | 81.1 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | trans | -84.5 | 166.8 | 176.8 | -59.4 | -179.6 | 173.3 | 0 | 0 | 111.9 | A173 H388 S390 | A173-E392 HydrophobicContact CB-CG 4.09Å; H388-E392 PolarHBondContact CE1-O 3.32Å; S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 WeakPolarHBondContact OG-CB 3.5Å; S390-E392 PolarHBondContact OG-N 2.99Å; S390-E392 VanDerWaalsContact OG-N 3.14Å | ||
| 393 | G | 78.4 | Confident | 81.5 | Confident | 48 Ų | 48 | 53 Ų | 53 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 87 | -173.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | R170 | R170-G393 VanDerWaalsContact CZ-O 3.31Å; R170-G393 PolarHBondContact NH1-O 3.2Å; R170-G393 PolarHBondContact NH2-O 2.98Å |
| 394 | S | 79.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -76.9 | 146.6 | 178 | -166 | 0 | 0 | 0 | 0 | 110.7 | ||
| 395 | G | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 129.5 | -173.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R170 H348 M379 Y380 | R170-G395 PolarHBondContact NH2-O 3.49Å; H348-G395 PolarHBondContact CE1-O 3.26Å; H348-G395 PolarHBondContact NE2-O 3.5Å; H348-G395 VanDerWaalsContact NE2-O 3.17Å; M379-G395 WeakPolarHBondContact CE-O 3.26Å; Y380-G395 WeakPolarHBondContact O-CA 3.05Å |
| 396 | I | 92.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.5 | -178.7 | -56 | 170.2 | 0 | 0 | 0 | 110 | L330 L350 I353 F366 M379 Y380 M398 | L330-I396 HydrophobicContact CD1-CD1 3.79Å; L330-I396 HydrophobicContact CD1-CG1 3.61Å; L330-I396 HydrophobicContact CD2-CD1 3.78Å; L330-I396 HydrophobicContact CD2-CG1 3.44Å; L330-I396 VanDerWaalsContact CD2-CG1 3.44Å; L330-I396 HydrophobicContact CG-CD1 4.16Å; L330-I396 HydrophobicContact CG-CG1 4.09Å; L350-I396 HydrophobicContact CD2-CD1 3.94Å; L350-I396 HydrophobicContact CG-CD1 4.3Å; I353-I396 HydrophobicContact CB-CG2 4.36Å; I353-I396 HydrophobicContact CD1-CD1 4.21Å; I353-I396 HydrophobicContact CD1-CG2 3.97Å; I353-I396 HydrophobicContact CG1-CG2 3.75Å; F366-I396 HydrophobicContact CE2-CD1 4.37Å; F366-I396 HydrophobicContact CZ-CD1 4.21Å; M379-I396 WeakPolarHBondContact CA-O 3.2Å; Y380-I396 PolarHBondContact N-O 2.86Å; Y380-I396 PolarHBondContact O-N 3.24Å; I396-M398 HydrophobicContact CB-SD 4.42Å; I396-M398 HydrophobicContact CG2-SD 3.88Å; I396-M398 PolarHBondContact O-N 3.3Å |
| 397 | L | 95.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 117.3 | 169.6 | -173 | 82.3 | 0 | 0 | 0 | 110.2 | I163 G166 R170 L351 A352 I353 F377 M379 V391 | I163-L397 HydrophobicContact CD1-CD2 4.49Å; G166-L397 VanDerWaalsContact O-CD2 3.29Å; G166-L397 WeakPolarHBondContact O-CD2 3.38Å; R170-L397 HydrophobicContact CB-CD2 4.31Å; L351-L397 PolarHBondContact O-N 3.16Å; A352-L397 CarbonylContact C-O 3.54Å; A352-L397 WeakPolarHBondContact CA-O 3.48Å; A352-L397 HydrophobicContact CB-CB 4.05Å; A352-L397 HydrophobicContact CB-CD2 4.41Å; I353-L397 PolarHBondContact N-O 2.87Å; F377-L397 HydrophobicContact CB-CD1 3.83Å; F377-L397 HydrophobicContact CB-CG 4.4Å; F377-L397 HydrophobicContact CD1-CD1 4.45Å; F377-L397 HydrophobicContact CD1-CD2 4.03Å; F377-L397 HydrophobicContact CD1-CG 4.23Å; F377-L397 HydrophobicContact CE1-CD2 4.48Å; F377-L397 HydrophobicContact CG-CD1 4.26Å; M379-L397 VanDerWaalsContact SD-CA 3.56Å; M379-L397 HydrophobicContact SD-CB 3.93Å; M379-L397 HydrophobicContact SD-CD1 3.92Å; V391-L397 HydrophobicContact CB-CD1 4.32Å; V391-L397 HydrophobicContact CG1-CD1 3.69Å |
| 398 | M | 95.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.7 | 179.3 | -60.2 | -60 | -62.1 | 0 | 0 | 110.6 | I353 I364 F366 M367 F377 C378 I396 | I353-M398 HydrophobicContact CB-CE 3.94Å; I353-M398 HydrophobicContact CB-SD 3.74Å; I353-M398 HydrophobicContact CD1-CE 4.31Å; I353-M398 HydrophobicContact CD1-SD 3.91Å; I353-M398 HydrophobicContact CG1-SD 4.18Å; I353-M398 HydrophobicContact CG2-CE 4Å; I353-M398 HydrophobicContact CG2-SD 4.46Å; I353-M398 WeakPolarHBondContact O-CA 3.39Å; I364-M398 HydrophobicContact CG2-CE 4.13Å; F366-M398 HydrophobicContact CD2-CE 4.49Å; F366-M398 HydrophobicContact CD2-SD 4.44Å; F366-M398 HydrophobicContact CE2-CE 4.11Å; F366-M398 HydrophobicContact CE2-SD 3.85Å; M367-M398 HydrophobicContact CB-CE 4.3Å; M367-M398 HydrophobicContact CG-CE 4.37Å; F377-M398 VanDerWaalsContact CA-O 3.3Å; F377-M398 WeakPolarHBondContact CA-O 3.48Å; C378-M398 PolarHBondContact N-O 2.87Å; C378-M398 VanDerWaalsContact N-O 3.1Å; C378-M398 PolarHBondContact O-N 3.04Å; I396-M398 HydrophobicContact CB-SD 4.42Å; I396-M398 HydrophobicContact CG2-SD 3.88Å; I396-M398 PolarHBondContact O-N 3.3Å |
| 399 | C | 96.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 113 | 168.8 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | I163 I353 C354 D355 P376 F377 | I163-C399 HydrophobicContact CD1-CB 3.88Å; I353-C399 PolarHBondContact O-N 2.97Å; C354-C399 CarbonylContact C-O 3.47Å; C354-C399 VanDerWaalsContact CA-O 3.26Å; C354-C399 WeakPolarHBondContact CA-O 3.45Å; D355-C399 PolarHBondContact N-O 2.81Å; P376-C399 PolarHBondContact O-SG 3.14Å; F377-C399 HydrophobicContact CD1-CB 3.86Å; F377-C399 HydrophobicContact CE1-CB 3.94Å |
| 400 | S | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | trans | -141 | 72.6 | -173.7 | -178.7 | 0 | 0 | 0 | 0 | 111 | D355 A358 M367 C370 T371 | D355-S400 WeakPolarHBondContact O-CA 3.29Å; D355-S400 PolarHBondContact O-OG 3.46Å; A358-S400 WeakPolarHBondContact CA-OG 3.34Å; M367-S400 WeakPolarHBondContact CE-OG 3.27Å; C370-S400 CarbonylContact C-O 3.54Å; C370-S400 VanDerWaalsContact CA-O 3.27Å; C370-S400 WeakPolarHBondContact CA-O 3.4Å; C370-S400 VanDerWaalsContact CB-O 3.25Å; C370-S400 WeakPolarHBondContact CB-O 3.23Å; T371-S400 PolarHBondContact N-O 3.17Å; T371-S400 WeakPolarHBondContact OG1-CA 3.47Å; T371-S400 PolarHBondContact OG1-N 3.03Å; T371-S400 PolarHBondContact OG1-O 2.9Å; T371-S400 VanDerWaalsContact OG1-O 3.1Å | ||
| 401 | I | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 123.4 | -176.3 | -58.9 | 171.5 | 0 | 0 | 0 | 109.9 | T371 I373 P376 N403 L404 | T371-I401 WeakPolarHBondContact O-CA 3.26Å; T371-I401 VanDerWaalsContact OG1-CG1 3.31Å; T371-I401 WeakPolarHBondContact OG1-CG1 3.38Å; T371-I401 PolarHBondContact OG1-N 3.12Å; I373-I401 HydrophobicContact CG1-CD1 4.46Å; I373-I401 HydrophobicContact CG1-CG2 3.83Å; P376-I401 HydrophobicContact CB-CD1 3.85Å; I401-N403 VanDerWaalsContact C-N 3.31Å; I401-N403 VanDerWaalsContact CG2-OD1 3.26Å; I401-N403 WeakPolarHBondContact CG2-OD1 3.48Å; I401-N403 PolarHBondContact O-N 2.84Å; I401-L404 HydrophobicContact CB-CD2 3.78Å; I401-L404 HydrophobicContact CB-CG 3.82Å; I401-L404 HydrophobicContact CD1-CD2 4.05Å; I401-L404 HydrophobicContact CG1-CD2 4.4Å; I401-L404 HydrophobicContact CG2-CD2 4.19Å; I401-L404 HydrophobicContact CG2-CG 4.14Å; I401-L404 WeakPolarHBondContact O-CG 3.27Å |
| 402 | D | 87.9 | Confident | 91.6 | Very high | 117 Ų | 117 | 22.7 Ų | 22.7 | 63% | 0.626 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.8 | -174.8 | 72.5 | -21.7 | 0 | 0 | 0 | 114.5 | A358 | A358-D402 HydrophobicContact CB-CB 4.18Š|
| 403 | N | 89.9 | Confident | 92.3 | Very high | 27 Ų | 27 | 16.8 Ų | 16.8 | 14% | 0.144 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 27.9 | -174.1 | 67 | 14.7 | 0 | 0 | 0 | 113.6 | I373 I401 P405 A406 | I373-N403 WeakPolarHBondContact CD1-OD1 3.43Å; I373-N403 WeakPolarHBondContact CG1-OD1 3.33Å; I401-N403 VanDerWaalsContact C-N 3.31Å; I401-N403 VanDerWaalsContact CG2-OD1 3.26Å; I401-N403 WeakPolarHBondContact CG2-OD1 3.48Å; I401-N403 PolarHBondContact O-N 2.84Å; N403-P405 VanDerWaalsContact C-N 3.32Å; N403-P405 WeakPolarHBondContact O-CD 3.46Å; N403-A406 WeakPolarHBondContact O-CB 3.48Å; N403-A406 PolarHBondContact O-N 3Å |
| 404 | L | 93.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -38.2 | -45.8 | -179 | -80.3 | 166.5 | 0 | 0 | 0 | 116.3 | A155 A158 I356 I401 A406 Q407 | A155-L404 HydrophobicContact CB-CB 4.2Å; A158-L404 HydrophobicContact CB-CB 4.17Å; A158-L404 HydrophobicContact CB-CD2 4.28Å; A158-L404 WeakPolarHBondContact CB-O 3.12Å; I356-L404 HydrophobicContact CB-CD1 4.25Å; I356-L404 HydrophobicContact CG1-CD1 3.98Å; I356-L404 HydrophobicContact CG2-CD1 3.8Å; I401-L404 HydrophobicContact CB-CD2 3.78Å; I401-L404 HydrophobicContact CB-CG 3.82Å; I401-L404 HydrophobicContact CD1-CD2 4.05Å; I401-L404 HydrophobicContact CG1-CD2 4.4Å; I401-L404 HydrophobicContact CG2-CD2 4.19Å; I401-L404 HydrophobicContact CG2-CG 4.14Å; I401-L404 WeakPolarHBondContact O-CG 3.27Å; L404-A406 PolarHBondContact O-N 2.88Å; L404-Q407 VanDerWaalsContact CD2-NE2 3.34Å; L404-Q407 WeakPolarHBondContact O-CB 3.48Å; L404-Q407 PolarHBondContact O-N 3.4Å; L404-Q407 VanDerWaalsContact O-N 3.09Å |
| 405 | P | 93.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -63.7 | -14.9 | -178.6 | -11 | 20.7 | 0 | 0 | 0 | 114.4 | F151 W154 A155 N403 Q407 L408 A412 | F151-P405 HydrophobicContact CB-CB 3.96Å; F151-P405 HydrophobicContact CB-CG 3.5Å; F151-P405 HydrophobicContact CD1-CB 4.27Å; F151-P405 HydrophobicContact CG-CB 4.31Å; F151-P405 HydrophobicContact CG-CG 4.23Å; W154-P405 HydrophobicContact CB-CB 3.95Å; A155-P405 HydrophobicContact CB-CG 3.9Å; N403-P405 VanDerWaalsContact C-N 3.32Å; N403-P405 WeakPolarHBondContact O-CD 3.46Å; P405-Q407 PolarHBondContact O-N 2.93Å; P405-L408 CarbonylContact O-C 3.39Å; P405-L408 PolarHBondContact O-N 2.94Å; P405-A412 HydrophobicContact CB-CB 4.13Å |
| 406 | A | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -65.8 | -19.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I373 N403 L404 P409 | I373-A406 HydrophobicContact CD1-CB 4.33Å; N403-A406 WeakPolarHBondContact O-CB 3.48Å; N403-A406 PolarHBondContact O-N 3Å; L404-A406 PolarHBondContact O-N 2.88Å; A406-P409 WeakPolarHBondContact O-CD 3.39Å |
| 407 | Q | 95.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -76.6 | -22 | 176.5 | -64.5 | -179.5 | 94.9 | 0 | 0 | 113.1 | N162 A186 H187 I373 L404 P405 P409 | N162-Q407 PolarHBondContact ND2-NE2 2.81Å; N162-Q407 PolarHBondContact ND2-OE1 3.01Å; N162-Q407 VanDerWaalsContact ND2-OE1 3.11Å; N162-Q407 PolarHBondContact OD1-OE1 2.96Å; A186-Q407 HydrophobicContact CB-CB 3.83Å; H187-Q407 HydrophobicContact CB-CB 4.02Å; H187-Q407 HydrophobicContact CB-CG 4.09Å; H187-Q407 PolarHBondContact ND1-OE1 3.19Å; H187-Q407 VanDerWaalsContact ND1-OE1 3.1Å; I373-Q407 HydrophobicContact CD1-CG 3.7Å; I373-Q407 HydrophobicContact CG1-CG 4Å; I373-Q407 HydrophobicContact CG2-CG 4.05Å; L404-Q407 VanDerWaalsContact CD2-NE2 3.34Å; L404-Q407 WeakPolarHBondContact O-CB 3.48Å; L404-Q407 PolarHBondContact O-N 3.4Å; L404-Q407 VanDerWaalsContact O-N 3.09Å; P405-Q407 PolarHBondContact O-N 2.93Å; Q407-P409 WeakPolarHBondContact O-CD 3.22Å |
| 408 | L | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -122.6 | 64.8 | 174.7 | -65.7 | 170.9 | 0 | 0 | 0 | 110 | W154 V157 A158 I161 P405 I410 A412 | W154-L408 HydrophobicContact CE3-CB 4.04Å; W154-L408 HydrophobicContact CE3-CD1 3.75Å; W154-L408 HydrophobicContact CZ3-CB 4.39Å; W154-L408 HydrophobicContact CZ3-CD1 3.82Å; V157-L408 HydrophobicContact CB-CD1 4.46Å; V157-L408 HydrophobicContact CG1-CD1 3.74Å; A158-L408 HydrophobicContact CB-CD1 4.33Å; I161-L408 HydrophobicContact CD1-CD1 3.96Å; P405-L408 CarbonylContact O-C 3.39Å; P405-L408 PolarHBondContact O-N 2.94Å; L408-I410 PolarHBondContact O-N 3.17Å; L408-A412 WeakPolarHBondContact O-CB 3.19Å; L408-A412 PolarHBondContact O-N 3.06Å; L408-A412 VanDerWaalsContact O-N 3.09Å |
| 409 | P | 94.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.4 | -27.2 | -161.4 | 28 | -36.6 | 0 | 0 | 0 | 114.5 | R39 R40 A67 A406 Q407 T413 | R39-P409 HydrophobicContact CB-CB 4.11Å; R39-P409 HydrophobicContact CB-CG 4.34Å; R40-P409 HydrophobicContact CG-CB 3.73Å; A67-P409 HydrophobicContact CB-CB 3.73Å; A67-P409 HydrophobicContact CB-CG 3.4Å; A406-P409 WeakPolarHBondContact O-CD 3.39Å; Q407-P409 WeakPolarHBondContact O-CD 3.22Å; P409-T413 VanDerWaalsContact O-CB 3.25Å; P409-T413 WeakPolarHBondContact O-CB 3.04Å; P409-T413 PolarHBondContact O-N 3.39Å; P409-T413 PolarHBondContact O-OG1 3.1Å |
| 410 | I | 94.6 | Very high | 94.3 | Very high | 55 Ų | 55 | 23.8 Ų | 23.8 | 28% | 0.282 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -69.7 | -54.9 | -178.4 | -63.4 | 176.7 | 0 | 0 | 0 | 109.5 | A67 I68 L408 A412 T413 E414 | A67-I410 HydrophobicContact CB-CG1 3.83Å; I68-I410 HydrophobicContact CD1-CG2 4.33Å; I68-I410 HydrophobicContact CG1-CB 4.48Å; I68-I410 HydrophobicContact CG1-CG1 4.1Å; I68-I410 HydrophobicContact CG1-CG2 4.19Å; L408-I410 PolarHBondContact O-N 3.17Å; I410-A412 VanDerWaalsContact C-N 3.34Å; I410-A412 PolarHBondContact O-N 2.84Å; I410-T413 WeakPolarHBondContact O-CA 3.33Å; I410-T413 VanDerWaalsContact O-CB 3.28Å; I410-T413 WeakPolarHBondContact O-CB 3.47Å; I410-T413 PolarHBondContact O-N 3.5Å; I410-T413 VanDerWaalsContact O-N 3.1Å; I410-E414 PolarHBondContact O-N 2.76Å |
| 411 | E | 94.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.6 | -30.6 | -176.8 | -55.1 | 94.1 | 138.7 | 0 | 0 | 112.1 | W154 N191 S192 T413 E414 Y415 | W154-E411 HydrophobicContact CD2-CB 4.14Å; W154-E411 HydrophobicContact CE3-CB 4.3Å; W154-E411 HydrophobicContact CH2-CB 3.33Å; W154-E411 HydrophobicContact CH2-CG 3.77Å; W154-E411 HydrophobicContact CZ2-CB 3.11Å; W154-E411 HydrophobicContact CZ2-CG 3.97Å; W154-E411 HydrophobicContact CZ3-CB 3.93Å; W154-E411 HydrophobicContact CZ3-CG 4.45Å; W154-E411 PolarHBondContact NE1-O 3.31Å; W154-E411 VanDerWaalsContact NE1-O 3.13Å; N191-E411 WeakPolarHBondContact CA-OE1 3.37Å; N191-E411 VanDerWaalsContact CB-OE1 3.27Å; N191-E411 WeakPolarHBondContact CB-OE1 3.46Å; S192-E411 VanDerWaalsContact CB-OE1 3.29Å; S192-E411 WeakPolarHBondContact CB-OE1 3.33Å; S192-E411 PolarHBondContact N-OE1 3.07Å; S192-E411 PolarHBondContact OG-OE1 3.14Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.03Å; E411-E414 PolarHBondContact O-N 2.82Å; E411-Y415 VanDerWaalsContact O-CB 3.25Å; E411-Y415 WeakPolarHBondContact O-CB 3.25Å; E411-Y415 PolarHBondContact O-N 3.1Å |
| 412 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R40 F151 W154 P405 L408 I410 F416 | R40-A412 HydrophobicContact CG-CB 4.23Å; F151-A412 HydrophobicContact CD1-CB 4.09Å; F151-A412 HydrophobicContact CE1-CB 4.19Å; W154-A412 HydrophobicContact CB-CB 4.25Å; W154-A412 HydrophobicContact CG-CB 4.22Å; P405-A412 HydrophobicContact CB-CB 4.13Å; L408-A412 WeakPolarHBondContact O-CB 3.19Å; L408-A412 PolarHBondContact O-N 3.06Å; L408-A412 VanDerWaalsContact O-N 3.09Å; I410-A412 VanDerWaalsContact C-N 3.34Å; I410-A412 PolarHBondContact O-N 2.84Å; A412-F416 WeakPolarHBondContact O-CB 3.47Å; A412-F416 PolarHBondContact O-N 2.93Å |
| 413 | T | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 175.8 | -65 | 0 | 0 | 0 | 0 | 111.9 | R40 A41 A44 I68 P409 I410 E411 G417 | R40-T413 WeakPolarHBondContact CA-OG1 3.3Å; A41-T413 HydrophobicContact CB-CG2 3.92Å; A41-T413 PolarHBondContact N-OG1 2.78Å; A41-T413 VanDerWaalsContact O-CG2 3.26Å; A41-T413 WeakPolarHBondContact O-CG2 3.27Å; A41-T413 PolarHBondContact O-OG1 3.46Å; A44-T413 HydrophobicContact CB-CG2 4Å; I68-T413 HydrophobicContact CD1-CG2 3.79Å; P409-T413 VanDerWaalsContact O-CB 3.25Å; P409-T413 WeakPolarHBondContact O-CB 3.04Å; P409-T413 PolarHBondContact O-N 3.39Å; P409-T413 PolarHBondContact O-OG1 3.1Å; I410-T413 WeakPolarHBondContact O-CA 3.33Å; I410-T413 VanDerWaalsContact O-CB 3.28Å; I410-T413 WeakPolarHBondContact O-CB 3.47Å; I410-T413 PolarHBondContact O-N 3.5Å; I410-T413 VanDerWaalsContact O-N 3.1Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.03Å; T413-G417 PolarHBondContact O-N 2.92Å |
| 414 | E | 95.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 25.2 Ų | 25.2 | 36% | 0.355 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.1 | -51.8 | 178.4 | -71.6 | -179.4 | 163.5 | 0 | 0 | 111.9 | A44 I410 E411 F416 G417 D418 | A44-E414 HydrophobicContact CB-CB 4.46Å; A44-E414 HydrophobicContact CB-CG 3.72Å; I410-E414 PolarHBondContact O-N 2.76Å; E411-E414 PolarHBondContact O-N 2.82Å; E414-F416 PolarHBondContact O-N 2.7Å; E414-G417 PolarHBondContact O-N 2.89Å; E414-D418 VanDerWaalsContact O-CG 3.3Å; E414-D418 PolarHBondContact O-N 3.25Å |
| 415 | Y | 94.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 29 Ų | 29 | 21% | 0.208 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | -179.1 | -179.8 | -101.3 | 0 | 0 | 0 | 111.9 | K153 W154 E411 D418 M419 | K153-Y415 HydrophobicContact CB-CE1 3.85Å; K153-Y415 HydrophobicContact CB-CE2 4.48Å; K153-Y415 HydrophobicContact CD-CD2 4.34Å; K153-Y415 HydrophobicContact CD-CE2 3.84Å; W154-Y415 AromaticContact CD1-CD1 3.8Å; W154-Y415 AromaticContact CD1-CG 3.82Å; W154-Y415 AromaticContact NE1-CG 3.66Å; E411-Y415 VanDerWaalsContact O-CB 3.25Å; E411-Y415 WeakPolarHBondContact O-CB 3.25Å; E411-Y415 PolarHBondContact O-N 3.1Å; Y415-D418 PolarHBondContact O-N 3Å; Y415-M419 HydrophobicContact CD1-CE 3.52Å; Y415-M419 HydrophobicContact CD1-SD 4.38Å; Y415-M419 HydrophobicContact CE1-CE 3.38Å; Y415-M419 HydrophobicContact CE1-SD 3.75Å; Y415-M419 HydrophobicContact CG-CE 4.39Å; Y415-M419 WeakPolarHBondContact O-CE 3.39Å; Y415-M419 PolarHBondContact O-N 3.12Å |
| 416 | F | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.1 | -176.7 | -92.1 | 0 | 0 | 0 | 111.9 | P42 F110 Y137 V149 F151 A412 E414 D418 M419 L420 | P42-F416 HydrophobicContact CB-CE1 4.27Å; P42-F416 WeakPolarHBondContact O-CD1 3.18Å; F110-F416 AromaticContact CE2-CE2 3.53Å; F110-F416 HydrophobicContact CE2-CE2 3.53Å; F110-F416 AromaticContact CE2-CZ 3.85Å; F110-F416 HydrophobicContact CE2-CZ 3.85Å; F110-F416 AromaticContact CZ-CE2 3.69Å; F110-F416 HydrophobicContact CZ-CE2 3.69Å; F110-F416 HydrophobicContact CZ-CZ 4.17Å; Y137-F416 HydrophobicContact CD2-CE1 4.3Å; Y137-F416 HydrophobicContact CD2-CE2 4.42Å; Y137-F416 AromaticContact CD2-CZ 3.5Å; Y137-F416 HydrophobicContact CD2-CZ 3.5Å; Y137-F416 AromaticContact CE2-CE1 3.91Å; Y137-F416 HydrophobicContact CE2-CE1 3.91Å; Y137-F416 AromaticContact CE2-CZ 3.59Å; Y137-F416 HydrophobicContact CE2-CZ 3.59Å; Y137-F416 HydrophobicContact CG-CZ 4.01Å; V149-F416 HydrophobicContact CG1-CD2 3.85Å; V149-F416 HydrophobicContact CG1-CE1 4.2Å; V149-F416 HydrophobicContact CG1-CE2 3.14Å; V149-F416 HydrophobicContact CG1-CZ 3.33Å; F151-F416 HydrophobicContact CD1-CB 4Å; F151-F416 AromaticContact CD1-CD2 3.97Å; F151-F416 HydrophobicContact CD1-CD2 3.97Å; F151-F416 HydrophobicContact CD1-CG 4.31Å; F151-F416 HydrophobicContact CD2-CD2 4.02Å; F151-F416 HydrophobicContact CD2-CE2 4.28Å; F151-F416 HydrophobicContact CE1-CB 3.4Å; F151-F416 HydrophobicContact CE1-CD1 4.49Å; F151-F416 AromaticContact CE1-CD2 3.55Å; F151-F416 HydrophobicContact CE1-CD2 3.55Å; F151-F416 HydrophobicContact CE1-CE2 4.46Å; F151-F416 AromaticContact CE1-CG 3.57Å; F151-F416 HydrophobicContact CE1-CG 3.57Å; F151-F416 AromaticContact CE2-CD2 3.61Å; F151-F416 HydrophobicContact CE2-CD2 3.61Å; F151-F416 AromaticContact CE2-CE2 3.75Å; F151-F416 HydrophobicContact CE2-CE2 3.75Å; F151-F416 HydrophobicContact CE2-CG 4.27Å; F151-F416 HydrophobicContact CG-CD2 4.19Å; F151-F416 HydrophobicContact CZ-CB 3.92Å; F151-F416 HydrophobicContact CZ-CD1 4.17Å; F151-F416 AromaticContact CZ-CD2 3.34Å; F151-F416 HydrophobicContact CZ-CD2 3.34Å; F151-F416 AromaticContact CZ-CE2 3.84Å; F151-F416 HydrophobicContact CZ-CE2 3.84Å; F151-F416 AromaticContact CZ-CG 3.53Å; F151-F416 HydrophobicContact CZ-CG 3.53Å; F151-F416 HydrophobicContact CZ-CZ 4.46Å; A412-F416 WeakPolarHBondContact O-CB 3.47Å; A412-F416 PolarHBondContact O-N 2.93Å; E414-F416 PolarHBondContact O-N 2.7Å; F416-D418 VanDerWaalsContact C-N 3.34Å; F416-D418 PolarHBondContact O-N 3.33Å; F416-M419 PolarHBondContact O-N 3.47Å; F416-L420 HydrophobicContact CD1-CD2 4.48Å; F416-L420 HydrophobicContact CE1-CB 4.35Å; F416-L420 HydrophobicContact CE1-CD2 3.74Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CB 3.36Å; F416-L420 PolarHBondContact O-N 3.35Å |
| 417 | G | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P42 H47 T413 E414 M419 L420 F421 | P42-G417 WeakPolarHBondContact O-CA 3.47Å; H47-G417 VanDerWaalsContact CE1-C 3.46Å; H47-G417 VanDerWaalsContact CE1-CA 3.42Å; H47-G417 WeakPolarHBondContact CE1-CA 3.35Å; T413-G417 PolarHBondContact O-N 2.92Å; E414-G417 PolarHBondContact O-N 2.89Å; G417-M419 PolarHBondContact O-N 3.01Å; G417-L420 PolarHBondContact O-N 3.26Å; G417-L420 VanDerWaalsContact O-N 3.15Å; G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 3.31Å |
| 418 | D | 96.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 44% | 0.439 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.5 | -37 | 178.5 | -74 | -39.7 | 0 | 0 | 0 | 112.1 | K46 H47 E414 Y415 F416 P422 | K46-D418 WeakPolarHBondContact CE-OD1 3.43Å; K46-D418 IonicContact NZ-OD1 3.11Å; K46-D418 PolarHBondContact NZ-OD1 2.73Å; K46-D418 IonicContact NZ-OD2 3.22Å; K46-D418 PolarHBondContact NZ-OD2 3.44Å; H47-D418 PolarHBondContact NE2-N 2.92Å; H47-D418 VanDerWaalsContact NE2-N 3.17Å; H47-D418 IonicContact NE2-OD1 2.78Å; H47-D418 PolarHBondContact NE2-OD1 3.14Å; E414-D418 VanDerWaalsContact O-CG 3.3Å; E414-D418 PolarHBondContact O-N 3.25Å; Y415-D418 PolarHBondContact O-N 3Å; F416-D418 VanDerWaalsContact C-N 3.34Å; F416-D418 PolarHBondContact O-N 3.33Å; D418-P422 WeakPolarHBondContact O-CD 3.27Å |
| 419 | M | 95.1 | Very high | 95.2 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 19% | 0.187 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -78.3 | -34.3 | 177.5 | -68.6 | 179.1 | -60.6 | 0 | 0 | 112.9 | V148 V149 A150 Y415 F416 G417 P422 | V148-M419 WeakPolarHBondContact O-CB 2.83Å; V149-M419 HydrophobicContact CG2-CB 4.21Å; A150-M419 WeakPolarHBondContact O-CE 3.35Å; Y415-M419 HydrophobicContact CD1-CE 3.52Å; Y415-M419 HydrophobicContact CD1-SD 4.38Å; Y415-M419 HydrophobicContact CE1-CE 3.38Å; Y415-M419 HydrophobicContact CE1-SD 3.75Å; Y415-M419 HydrophobicContact CG-CE 4.39Å; Y415-M419 WeakPolarHBondContact O-CE 3.39Å; Y415-M419 PolarHBondContact O-N 3.12Å; F416-M419 PolarHBondContact O-N 3.47Å; G417-M419 PolarHBondContact O-N 3.01Å; M419-P422 WeakPolarHBondContact O-CD 3.42Å |
| 420 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80 | -35.3 | -178 | 178.8 | 61.4 | 0 | 0 | 0 | 112.3 | P42 L43 Y137 M140 V149 F416 G417 Y423 I424 M427 | P42-L420 HydrophobicContact CB-CD2 4.39Å; L43-L420 HydrophobicContact CD2-CD2 4.47Å; Y137-L420 HydrophobicContact CD1-CD1 4.02Å; Y137-L420 HydrophobicContact CE1-CD1 3.58Å; Y137-L420 HydrophobicContact CE1-CD2 3.76Å; Y137-L420 HydrophobicContact CE1-CG 4.35Å; Y137-L420 WeakPolarHBondContact OH-CD2 3.3Å; M140-L420 HydrophobicContact CE-CD1 4.26Å; M140-L420 HydrophobicContact SD-CD1 4.1Å; V149-L420 HydrophobicContact CG1-CB 4.41Å; V149-L420 HydrophobicContact CG2-CB 4.32Å; V149-L420 HydrophobicContact CG2-CD1 4.34Å; F416-L420 HydrophobicContact CD1-CD2 4.48Å; F416-L420 HydrophobicContact CE1-CB 4.35Å; F416-L420 HydrophobicContact CE1-CD2 3.74Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CB 3.36Å; F416-L420 PolarHBondContact O-N 3.35Å; G417-L420 PolarHBondContact O-N 3.26Å; G417-L420 VanDerWaalsContact O-N 3.15Å; L420-Y423 PolarHBondContact O-N 2.86Å; L420-I424 HydrophobicContact CD1-CD1 4.35Å; L420-I424 HydrophobicContact CD2-CD1 3.92Å; L420-I424 HydrophobicContact CG-CD1 3.79Å; L420-I424 HydrophobicContact CG-CG1 4.18Å; L420-M427 HydrophobicContact CD1-CE 4.07Å |
| 421 | F | 96.8 | Very high | 94.5 | Very high | 40 Ų | 40 | 34 Ų | 34 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -50.6 | -42.5 | -172 | -174 | -101.3 | 0 | 0 | 0 | 115 | H47 E50 L51 G417 Y423 I424 | H47-F421 HydrophobicContact CB-CD2 3.7Å; H47-F421 HydrophobicContact CB-CE2 4.01Å; H47-F421 AromaticContact CD2-CD2 3.94Å; E50-F421 HydrophobicContact CB-CE1 4.33Å; E50-F421 HydrophobicContact CB-CE2 4.01Å; E50-F421 HydrophobicContact CB-CZ 3.47Å; E50-F421 VanDerWaalsContact CB-CZ 3.47Å; E50-F421 HydrophobicContact CG-CZ 4.38Å; E50-F421 WeakPolarHBondContact OE2-CE1 3.25Å; E50-F421 VanDerWaalsContact OE2-CZ 3.29Å; E50-F421 WeakPolarHBondContact OE2-CZ 3.37Å; L51-F421 HydrophobicContact CD2-CE2 4.22Å; L51-F421 HydrophobicContact CG-CE2 3.96Å; G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 3.31Å; F421-Y423 PolarHBondContact O-N 3.44Å; F421-I424 PolarHBondContact O-N 3.19Å; F421-I424 VanDerWaalsContact O-N 3.07Å |
| 422 | P | 96.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 33.1 Ų | 33.1 | 58% | 0.584 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -57.3 | -20.2 | 178.6 | -26.1 | 36.3 | 0 | 0 | 0 | 114.7 | D418 M419 | D418-P422 WeakPolarHBondContact O-CD 3.27Å; M419-P422 WeakPolarHBondContact O-CD 3.42Å |
| 423 | Y | 96.2 | Very high | 93.3 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 18% | 0.18 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -105.6 | -7.9 | -176.7 | -53.8 | -76.6 | 0 | 0 | 0 | 113.2 | M140 V148 L420 F421 E425 E426 M427 V444 V445 | M140-Y423 HydrophobicContact CE-CD1 4.2Å; M140-Y423 HydrophobicContact CE-CD2 3.46Å; M140-Y423 VanDerWaalsContact CE-CD2 3.46Å; M140-Y423 HydrophobicContact CE-CE2 4.09Å; M140-Y423 HydrophobicContact CE-CG 3.52Å; V148-Y423 HydrophobicContact CB-CE2 4.42Å; V148-Y423 HydrophobicContact CG2-CE2 3.99Å; L420-Y423 PolarHBondContact O-N 2.86Å; F421-Y423 PolarHBondContact O-N 3.44Å; Y423-E425 VanDerWaalsContact C-N 3.35Å; Y423-E425 PolarHBondContact O-N 3.23Å; Y423-E426 WeakPolarHBondContact O-CG 3.45Å; Y423-M427 VanDerWaalsContact O-CG 3.3Å; Y423-M427 WeakPolarHBondContact O-CG 3.24Å; Y423-M427 PolarHBondContact O-N 2.79Å; Y423-V444 HydrophobicContact CD1-CB 4.33Å; Y423-V444 HydrophobicContact CD1-CG1 4.29Å; Y423-V444 HydrophobicContact CE1-CB 3.77Å; Y423-V444 HydrophobicContact CE1-CG1 3.76Å; Y423-V444 HydrophobicContact CE1-CG2 3.99Å; Y423-V445 HydrophobicContact CD1-CG2 3.97Å; Y423-V445 HydrophobicContact CG-CG2 4.16Å |
| 424 | I | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | -175.7 | -70.9 | -66.7 | 0 | 0 | 0 | 111.6 | L27 L43 L51 V91 L420 F421 E426 M427 L428 | L27-I424 HydrophobicContact CD1-CG2 3.54Å; L43-I424 HydrophobicContact CD1-CD1 4.27Å; L43-I424 HydrophobicContact CD1-CG1 4.47Å; L43-I424 HydrophobicContact CD2-CD1 4.3Å; L43-I424 HydrophobicContact CD2-CG1 4.17Å; L51-I424 HydrophobicContact CD1-CG2 4.17Å; L51-I424 HydrophobicContact CD2-CG2 3.83Å; V91-I424 HydrophobicContact CG1-CD1 4.36Å; L420-I424 HydrophobicContact CD1-CD1 4.35Å; L420-I424 HydrophobicContact CD2-CD1 3.92Å; L420-I424 HydrophobicContact CG-CD1 3.79Å; L420-I424 HydrophobicContact CG-CG1 4.18Å; F421-I424 PolarHBondContact O-N 3.19Å; F421-I424 VanDerWaalsContact O-N 3.07Å; I424-E426 PolarHBondContact O-N 3.13Å; I424-M427 PolarHBondContact O-N 3.05Å; I424-L428 WeakPolarHBondContact O-CB 3.45Å; I424-L428 PolarHBondContact O-N 3.36Å |
| 425 | E | 94.3 | Very high | 92.7 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | -175.9 | -169.6 | 176.1 | -153.3 | 0 | 0 | 111.8 | M54 Y56 Y423 L428 L429 | M54-E425 HydrophobicContact CE-CG 4.35Å; M54-E425 WeakPolarHBondContact CE-OE1 3.42Å; Y56-E425 HydrophobicContact CE2-CG 4.28Å; Y56-E425 WeakPolarHBondContact OH-CG 3.41Å; Y56-E425 PolarHBondContact OH-OE1 3.1Å; Y56-E425 VanDerWaalsContact OH-OE1 3.1Å; Y423-E425 VanDerWaalsContact C-N 3.35Å; Y423-E425 PolarHBondContact O-N 3.23Å; E425-L428 PolarHBondContact O-N 2.66Å; E425-L429 HydrophobicContact CG-CD1 3.94Å; E425-L429 HydrophobicContact CG-CG 4.39Å; E425-L429 WeakPolarHBondContact O-CB 3.46Å; E425-L429 VanDerWaalsContact O-CG 3.29Å; E425-L429 WeakPolarHBondContact O-CG 3.2Å; E425-L429 PolarHBondContact O-N 3.37Å |
| 426 | E | 93.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.5 | -37 | 177.2 | 61.1 | 178 | -171.6 | 0 | 0 | 112.6 | Y423 I424 L428 S430 Y441 S442 V445 | Y423-E426 WeakPolarHBondContact O-CG 3.45Å; I424-E426 PolarHBondContact O-N 3.13Å; E426-L428 VanDerWaalsContact C-N 3.34Å; E426-S430 PolarHBondContact O-N 3.22Å; E426-Y441 HydrophobicContact CB-CD1 4.11Å; E426-Y441 HydrophobicContact CB-CE1 4.48Å; E426-Y441 HydrophobicContact CG-CD1 4.14Å; E426-Y441 VanDerWaalsContact O-CE1 3.31Å; E426-Y441 WeakPolarHBondContact O-CE1 3.29Å; E426-S442 WeakPolarHBondContact OE1-CB 3.49Å; E426-S442 PolarHBondContact OE1-OG 3.15Å; E426-S442 WeakPolarHBondContact OE2-CB 3.13Å; E426-S442 PolarHBondContact OE2-N 3.22Å; E426-S442 PolarHBondContact OE2-OG 2.9Å; E426-V445 HydrophobicContact CG-CG2 4.18Å; E426-V445 VanDerWaalsContact OE1-CB 3.29Å; E426-V445 WeakPolarHBondContact OE1-CB 3.3Å; E426-V445 WeakPolarHBondContact OE1-CG2 3.48Å |
| 427 | M | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | 173.1 | -62.6 | 179.2 | -169.3 | 0 | 0 | 112.6 | L89 N106 A108 I135 M140 L420 Y423 I424 V445 | L89-M427 HydrophobicContact CD1-CB 4.1Å; L89-M427 HydrophobicContact CD2-CB 3.62Å; L89-M427 HydrophobicContact CG-CB 4.5Å; N106-M427 PolarHBondContact ND2-O 3.31Å; N106-M427 VanDerWaalsContact ND2-O 3.14Å; A108-M427 HydrophobicContact CB-SD 4.17Å; I135-M427 HydrophobicContact CD1-CB 4.15Å; I135-M427 HydrophobicContact CD1-CG 3.78Å; I135-M427 HydrophobicContact CD1-SD 4.06Å; I135-M427 HydrophobicContact CG2-CE 3.98Å; I135-M427 HydrophobicContact CG2-SD 4.39Å; M140-M427 HydrophobicContact CE-CE 3.62Å; M140-M427 HydrophobicContact SD-CE 3.73Å; L420-M427 HydrophobicContact CD1-CE 4.07Å; Y423-M427 VanDerWaalsContact O-CG 3.3Å; Y423-M427 WeakPolarHBondContact O-CG 3.24Å; Y423-M427 PolarHBondContact O-N 2.79Å; I424-M427 PolarHBondContact O-N 3.05Å; M427-V445 HydrophobicContact CE-CB 4.48Å; M427-V445 HydrophobicContact CE-CG1 4.16Å; M427-V445 HydrophobicContact CE-CG2 3.49Å; M427-V445 VanDerWaalsContact CE-CG2 3.49Å; M427-V445 HydrophobicContact CG-CG1 3.89Å; M427-V445 HydrophobicContact CG-CG2 4.33Å |
| 428 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.6 | -37.6 | -175.6 | 178.7 | 59.3 | 0 | 0 | 0 | 112.5 | L27 Y56 S88 L89 I424 E425 E426 S430 | L27-L428 HydrophobicContact CB-CD1 3.88Å; L27-L428 HydrophobicContact CB-CD2 4.38Å; Y56-L428 HydrophobicContact CD1-CD2 3.38Å; Y56-L428 HydrophobicContact CD1-CG 4.23Å; Y56-L428 HydrophobicContact CD2-CD2 4.06Å; Y56-L428 HydrophobicContact CE1-CD2 3.78Å; Y56-L428 HydrophobicContact CE1-CG 4.35Å; Y56-L428 HydrophobicContact CE2-CD2 4.41Å; Y56-L428 HydrophobicContact CG-CD2 3.53Å; S88-L428 PolarHBondContact OG-O 3.1Å; L89-L428 HydrophobicContact CB-CD1 3.95Å; L89-L428 HydrophobicContact CD2-CB 4.11Å; I424-L428 WeakPolarHBondContact O-CB 3.45Å; I424-L428 PolarHBondContact O-N 3.36Å; E425-L428 PolarHBondContact O-N 2.66Å; E426-L428 VanDerWaalsContact C-N 3.34Å; L428-S430 PolarHBondContact O-N 3.03Å |
| 429 | L | 91.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.1 | -12.7 | 177.1 | -70 | 176.7 | 0 | 0 | 0 | 113 | Y56 E425 | Y56-L429 HydrophobicContact CE1-CD2 4.09Å; E425-L429 HydrophobicContact CG-CD1 3.94Å; E425-L429 HydrophobicContact CG-CG 4.39Å; E425-L429 WeakPolarHBondContact O-CB 3.46Å; E425-L429 VanDerWaalsContact O-CG 3.29Å; E425-L429 WeakPolarHBondContact O-CG 3.2Å; E425-L429 PolarHBondContact O-N 3.37Å |
| 430 | S | 89.1 | Confident | 91.1 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | trans | -72.7 | 138.9 | 174.8 | 137.5 | 0 | 0 | 0 | 0 | 111.4 | N106 R133 E426 L428 Q439 Y441 | N106-S430 PolarHBondContact ND2-O 3.12Å; N106-S430 PolarHBondContact ND2-OG 3.37Å; N106-S430 PolarHBondContact OD1-OG 2.77Å; R133-S430 PolarHBondContact NH1-OG 2.91Å; E426-S430 PolarHBondContact O-N 3.22Å; L428-S430 PolarHBondContact O-N 3.03Å; S430-Q439 VanDerWaalsContact CA-OE1 3.24Å; S430-Y441 WeakPolarHBondContact CB-OH 3.33Å; S430-Y441 PolarHBondContact OG-OH 2.81Å | ||
| 431 | E | 85.7 | Confident | 90.9 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | trans | -100.2 | 117.2 | 172.9 | -69.6 | -68.2 | 168.8 | 0 | 0 | 109.2 | R133 S433 E434 Q439 | R133-E431 PolarHBondContact NH1-O 2.68Å; E431-S433 PolarHBondContact O-N 3.13Å; E431-E434 HydrophobicContact CB-CB 4.23Å; E431-E434 HydrophobicContact CB-CG 3.79Å; E431-E434 PolarHBondContact O-N 2.79Å; E431-E434 VanDerWaalsContact O-N 3.12Å; E431-Q439 VanDerWaalsContact N-OE1 3.13Å | ||
| 432 | G | 81.3 | Confident | 90.7 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N106 | N106-G432 WeakPolarHBondContact OD1-CA 3.32Å; N106-G432 PolarHBondContact OD1-N 3.37Å |
| 433 | S | 83.2 | Confident | 90.5 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21.1 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | E431 N453 | E431-S433 PolarHBondContact O-N 3.13Å; S433-N453 PolarHBondContact O-ND2 2.88Å; S433-N453 VanDerWaalsContact O-ND2 3.16Å |
| 434 | E | 88.7 | Confident | 90.4 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -81.1 | 156.6 | 179.7 | -68.5 | -62 | 140.8 | 0 | 0 | 110.7 | R133 E431 Q439 N453 | R133-E434 PolarHBondContact NH2-O 3.11Å; E431-E434 HydrophobicContact CB-CB 4.23Å; E431-E434 HydrophobicContact CB-CG 3.79Å; E431-E434 PolarHBondContact O-N 2.79Å; E431-E434 VanDerWaalsContact O-N 3.12Å; E434-Q439 VanDerWaalsContact CB-NE2 3.25Å; E434-N453 PolarHBondContact O-ND2 3.42Å; E434-N453 PolarHBondContact O-OD1 3.3Å |
| 435 | P | 90.4 | Very high | 90.3 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | trans | -58.3 | 149.2 | 175.4 | -25.1 | 35.1 | 0 | 0 | 0 | 113 | E437 S438 Q439 | P435-E437 VanDerWaalsContact C-N 3.26Å; P435-E437 PolarHBondContact O-N 3.28Å; P435-S438 PolarHBondContact O-N 2.74Å; P435-S438 PolarHBondContact O-OG 3.18Å; P435-Q439 WeakPolarHBondContact O-CG 3.45Å; P435-Q439 PolarHBondContact O-NE2 2.93Å | ||
| 436 | L | 90.9 | Very high | 90.3 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -63.7 | -33.9 | -180 | 179.1 | 59.7 | 0 | 0 | 0 | 112.1 | S438 Q439 Y441 V449 T457 | L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.09Å; L436-Q439 WeakPolarHBondContact O-CB 3.23Å; L436-Q439 PolarHBondContact O-N 3Å; L436-Q439 VanDerWaalsContact O-N 3.12Å; L436-Y441 HydrophobicContact CD1-CD2 3.74Å; L436-Y441 HydrophobicContact CD1-CE2 3.57Å; L436-V449 HydrophobicContact CD1-CB 4.4Å; L436-V449 HydrophobicContact CD1-CG1 4.31Å; L436-V449 HydrophobicContact CD1-CG2 4.02Å; L436-V449 HydrophobicContact CD2-CB 4.21Å; L436-V449 HydrophobicContact CD2-CG1 4.12Å; L436-T457 HydrophobicContact CD2-CG2 3.64Å |
| 437 | E | 88.7 | Confident | 90.3 | Very high | 155 Ų | 155 | 52.1 Ų | 52.1 | 72% | 0.724 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -68 | -25.8 | -177.7 | -60.8 | 71.1 | -154.7 | 0 | 0 | 112.5 | P435 Q439 | P435-E437 VanDerWaalsContact C-N 3.26Å; P435-E437 PolarHBondContact O-N 3.28Å; E437-Q439 VanDerWaalsContact C-N 3.28Å |
| 438 | S | 87.8 | Confident | 90.3 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -82.3 | -6.9 | 176.3 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | P435 L436 | P435-S438 PolarHBondContact O-N 2.74Å; P435-S438 PolarHBondContact O-OG 3.18Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.09Å |
| 439 | Q | 87.4 | Confident | 90.4 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -90 | 139.2 | -179.1 | -50.5 | -52.7 | -62.4 | 0 | 0 | 112.3 | S430 E431 E434 P435 L436 E437 Y441 R446 | S430-Q439 VanDerWaalsContact CA-OE1 3.24Å; E431-Q439 VanDerWaalsContact N-OE1 3.13Å; E434-Q439 VanDerWaalsContact CB-NE2 3.25Å; P435-Q439 WeakPolarHBondContact O-CG 3.45Å; P435-Q439 PolarHBondContact O-NE2 2.93Å; L436-Q439 WeakPolarHBondContact O-CB 3.23Å; L436-Q439 PolarHBondContact O-N 3Å; L436-Q439 VanDerWaalsContact O-N 3.12Å; E437-Q439 VanDerWaalsContact C-N 3.28Å; Q439-Y441 HydrophobicContact CB-CD2 3.92Å; Q439-Y441 HydrophobicContact CB-CE2 3.87Å; Q439-Y441 HydrophobicContact CG-CE2 4.33Å; Q439-Y441 PolarHBondContact O-N 3.03Å; Q439-R446 PolarHBondContact O-NH2 3.05Å |
| 440 | N | 89.1 | Confident | 90.7 | Very high | 149 Ų | 149 | 48.6 Ų | 48.6 | 80% | 0.797 | 27% | 0.265 | S | S | * | . | trans | -87.3 | 88.3 | 176.1 | -172.7 | 31.4 | 0 | 0 | 0 | 110.7 | ||||
| 441 | Y | 91.6 | Very high | 91 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | trans | -112.3 | 142.4 | 176 | -74.7 | -47.5 | 0 | 0 | 0 | 111.7 | E426 S430 L436 Q439 V445 V449 | E426-Y441 HydrophobicContact CB-CD1 4.11Å; E426-Y441 HydrophobicContact CB-CE1 4.48Å; E426-Y441 HydrophobicContact CG-CD1 4.14Å; E426-Y441 VanDerWaalsContact O-CE1 3.31Å; E426-Y441 WeakPolarHBondContact O-CE1 3.29Å; S430-Y441 WeakPolarHBondContact CB-OH 3.33Å; S430-Y441 PolarHBondContact OG-OH 2.81Å; L436-Y441 HydrophobicContact CD1-CD2 3.74Å; L436-Y441 HydrophobicContact CD1-CE2 3.57Å; Q439-Y441 HydrophobicContact CB-CD2 3.92Å; Q439-Y441 HydrophobicContact CB-CE2 3.87Å; Q439-Y441 HydrophobicContact CG-CE2 4.33Å; Q439-Y441 PolarHBondContact O-N 3.03Å; Y441-V445 HydrophobicContact CD1-CB 4.02Å; Y441-V445 HydrophobicContact CD1-CG1 3.47Å; Y441-V445 VanDerWaalsContact CD1-CG1 3.47Å; Y441-V445 HydrophobicContact CE1-CG1 3.51Å; Y441-V445 HydrophobicContact CG-CB 4.4Å; Y441-V445 HydrophobicContact CG-CG1 4.01Å; Y441-V449 HydrophobicContact CE2-CG2 4.26Å | ||
| 442 | S | 93.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | trans | -57.2 | 157.2 | 157.6 | 76.4 | 0 | 0 | 0 | 0 | 110.7 | E426 V444 V445 R446 | E426-S442 WeakPolarHBondContact OE1-CB 3.49Å; E426-S442 PolarHBondContact OE1-OG 3.15Å; E426-S442 WeakPolarHBondContact OE2-CB 3.13Å; E426-S442 PolarHBondContact OE2-N 3.22Å; E426-S442 PolarHBondContact OE2-OG 2.9Å; S442-V444 PolarHBondContact O-N 3.38Å; S442-V444 PolarHBondContact OG-N 3.48Å; S442-V445 PolarHBondContact O-N 3.17Å; S442-V445 PolarHBondContact OG-N 3.03Å; S442-R446 VanDerWaalsContact O-CB 3.29Å; S442-R446 WeakPolarHBondContact O-CB 3.11Å; S442-R446 PolarHBondContact O-N 2.92Å | ||
| 443 | S | 90.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.2 | -30.3 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | D447 | S443-D447 WeakPolarHBondContact O-CB 3.46Å; S443-D447 PolarHBondContact O-N 3.08Å; S443-D447 VanDerWaalsContact O-N 3.07Å |
| 444 | V | 94.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | M140 V148 Y423 S442 A448 | M140-V444 HydrophobicContact CB-CG1 3.94Å; M140-V444 HydrophobicContact CE-CG1 4.08Å; M140-V444 HydrophobicContact CG-CG1 4.49Å; V148-V444 HydrophobicContact CG2-CG1 3.59Å; Y423-V444 HydrophobicContact CD1-CB 4.33Å; Y423-V444 HydrophobicContact CD1-CG1 4.29Å; Y423-V444 HydrophobicContact CE1-CB 3.77Å; Y423-V444 HydrophobicContact CE1-CG1 3.76Å; Y423-V444 HydrophobicContact CE1-CG2 3.99Å; S442-V444 PolarHBondContact O-N 3.38Å; S442-V444 PolarHBondContact OG-N 3.48Å; V444-A448 WeakPolarHBondContact O-CB 3.41Å |
| 445 | V | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -81.3 | -41.5 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | I135 M140 Y423 E426 M427 Y441 S442 D447 A448 V449 | I135-V445 HydrophobicContact CD1-CG1 4.49Å; M140-V445 HydrophobicContact CE-CG2 3.98Å; Y423-V445 HydrophobicContact CD1-CG2 3.97Å; Y423-V445 HydrophobicContact CG-CG2 4.16Å; E426-V445 HydrophobicContact CG-CG2 4.18Å; E426-V445 VanDerWaalsContact OE1-CB 3.29Å; E426-V445 WeakPolarHBondContact OE1-CB 3.3Å; E426-V445 WeakPolarHBondContact OE1-CG2 3.48Å; M427-V445 HydrophobicContact CE-CB 4.48Å; M427-V445 HydrophobicContact CE-CG1 4.16Å; M427-V445 HydrophobicContact CE-CG2 3.49Å; M427-V445 VanDerWaalsContact CE-CG2 3.49Å; M427-V445 HydrophobicContact CG-CG1 3.89Å; M427-V445 HydrophobicContact CG-CG2 4.33Å; Y441-V445 HydrophobicContact CD1-CB 4.02Å; Y441-V445 HydrophobicContact CD1-CG1 3.47Å; Y441-V445 VanDerWaalsContact CD1-CG1 3.47Å; Y441-V445 HydrophobicContact CE1-CG1 3.51Å; Y441-V445 HydrophobicContact CG-CB 4.4Å; Y441-V445 HydrophobicContact CG-CG1 4.01Å; S442-V445 PolarHBondContact O-N 3.17Å; S442-V445 PolarHBondContact OG-N 3.03Å; V445-D447 VanDerWaalsContact C-N 3.3Å; V445-D447 PolarHBondContact O-N 2.82Å; V445-A448 WeakPolarHBondContact O-CA 3.46Å; V445-A448 WeakPolarHBondContact O-CB 3.11Å; V445-A448 PolarHBondContact O-N 2.7Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.06Å |
| 446 | R | 94.2 | Very high | 93.2 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.7 | -47.7 | 179.7 | -175.9 | 171.5 | -73.1 | 173 | -3.6 | 111.5 | Q439 S442 A448 V449 | Q439-R446 PolarHBondContact O-NH2 3.05Å; S442-R446 VanDerWaalsContact O-CB 3.29Å; S442-R446 WeakPolarHBondContact O-CB 3.11Å; S442-R446 PolarHBondContact O-N 2.92Å; R446-A448 PolarHBondContact O-N 3.07Å; R446-V449 PolarHBondContact O-N 3.12Å |
| 447 | D | 93.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.4 | -179.9 | -78.3 | 18 | 0 | 0 | 0 | 113 | S443 V445 K459 Y460 | S443-D447 WeakPolarHBondContact O-CB 3.46Å; S443-D447 PolarHBondContact O-N 3.08Å; S443-D447 VanDerWaalsContact O-N 3.07Å; V445-D447 VanDerWaalsContact C-N 3.3Å; V445-D447 PolarHBondContact O-N 2.82Å; D447-K459 HydrophobicContact CB-CD 4.25Å; D447-K459 IonicContact OD2-NZ 2.9Å; D447-K459 PolarHBondContact OD2-NZ 3.4Å; D447-Y460 VanDerWaalsContact O-CE2 3.27Å; D447-Y460 WeakPolarHBondContact O-CE2 3.23Å; D447-Y460 PolarHBondContact O-OH 3.27Å |
| 448 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I135 D136 K139 M140 V444 V445 R446 I450 | I135-A448 HydrophobicContact CG2-CB 4.11Å; D136-A448 PolarHBondContact N-O 3.39Å; K139-A448 HydrophobicContact CB-CB 4.23Å; M140-A448 HydrophobicContact CG-CB 3.62Å; V444-A448 WeakPolarHBondContact O-CB 3.41Å; V445-A448 WeakPolarHBondContact O-CA 3.46Å; V445-A448 WeakPolarHBondContact O-CB 3.11Å; V445-A448 PolarHBondContact O-N 2.7Å; R446-A448 PolarHBondContact O-N 3.07Å; A448-I450 PolarHBondContact O-N 2.94Å |
| 449 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 107.2 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | R133 L134 I135 L436 Y441 V445 R446 A451 T457 Y460 | R133-V449 HydrophobicContact CG-CG1 3.89Å; L134-V449 CarbonylContact O-C 3.53Å; L134-V449 VanDerWaalsContact O-CA 3.31Å; L134-V449 WeakPolarHBondContact O-CA 3.07Å; I135-V449 HydrophobicContact CG1-CG2 4.04Å; L436-V449 HydrophobicContact CD1-CB 4.4Å; L436-V449 HydrophobicContact CD1-CG1 4.31Å; L436-V449 HydrophobicContact CD1-CG2 4.02Å; L436-V449 HydrophobicContact CD2-CB 4.21Å; L436-V449 HydrophobicContact CD2-CG1 4.12Å; Y441-V449 HydrophobicContact CE2-CG2 4.26Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.06Å; R446-V449 PolarHBondContact O-N 3.12Å; V449-A451 WeakPolarHBondContact CG1-O 3.45Å; V449-T457 HydrophobicContact CB-CG2 4.31Å; V449-T457 HydrophobicContact CG1-CG2 3.81Å; V449-T457 VanDerWaalsContact O-CG2 3.3Å; V449-T457 WeakPolarHBondContact O-CG2 3.26Å; V449-T457 PolarHBondContact O-OG1 3.48Å; V449-Y460 WeakPolarHBondContact O-CD2 3.19Å; V449-Y460 WeakPolarHBondContact O-CE2 3.42Å |
| 450 | I | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -45.7 | -179.2 | -51.3 | -52.7 | 0 | 0 | 0 | 111.2 | I114 L134 D136 K139 A448 L456 T457 Y460 I463 | I114-I450 HydrophobicContact CG2-CD1 3.64Å; I114-I450 HydrophobicContact CG2-CG1 4.43Å; L134-I450 HydrophobicContact CD2-CB 4.05Å; L134-I450 HydrophobicContact CD2-CG1 4.3Å; L134-I450 HydrophobicContact CD2-CG2 4.46Å; L134-I450 HydrophobicContact CG-CB 4.33Å; L134-I450 HydrophobicContact CG-CG1 4.44Å; L134-I450 PolarHBondContact O-N 2.78Å; D136-I450 HydrophobicContact CB-CD1 3.92Å; D136-I450 HydrophobicContact CB-CG1 3.66Å; K139-I450 HydrophobicContact CG-CD1 4.21Å; A448-I450 PolarHBondContact O-N 2.94Å; I450-L456 HydrophobicContact CG2-CD2 4.19Å; I450-T457 PolarHBondContact O-N 3.05Å; I450-Y460 HydrophobicContact CB-CD2 4.46Å; I450-Y460 HydrophobicContact CD1-CD1 3.77Å; I450-Y460 HydrophobicContact CD1-CD2 3.85Å; I450-Y460 HydrophobicContact CD1-CE1 3.41Å; I450-Y460 VanDerWaalsContact CD1-CE1 3.41Å; I450-Y460 HydrophobicContact CD1-CE2 3.51Å; I450-Y460 HydrophobicContact CD1-CG 3.98Å; I450-Y460 HydrophobicContact CG2-CG 4.2Å; I450-I463 HydrophobicContact CG2-CD1 3.95Å |
| 451 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L124 I127 L128 R133 L134 V449 S455 | L124-A451 HydrophobicContact CD1-CB 4.33Å; I127-A451 HydrophobicContact CG2-CB 3.99Å; L128-A451 HydrophobicContact CD2-CB 3.81Å; R133-A451 CarbonylContact C-O 3.55Å; R133-A451 VanDerWaalsContact CA-O 3.3Å; R133-A451 WeakPolarHBondContact CA-O 3.47Å; L134-A451 HydrophobicContact CB-CB 4.34Å; L134-A451 PolarHBondContact N-O 3.07Å; V449-A451 WeakPolarHBondContact CG1-O 3.45Å; A451-S455 CarbonylContact C-O 3.57Å; A451-S455 VanDerWaalsContact CA-O 3.3Å; A451-S455 WeakPolarHBondContact CA-O 3.47Å |
| 452 | S | 95.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.9 | 175.7 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | R133 G454 S455 | R133-S452 PolarHBondContact NE-OG 3.28Å; R133-S452 PolarHBondContact NH2-OG 3.34Å; S452-G454 PolarHBondContact O-N 2.97Å; S452-S455 PolarHBondContact N-O 3.3Å; S452-S455 PolarHBondContact O-N 3.5Å |
| 453 | N | 94.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 35.2 | 173.1 | -49.1 | 93.8 | 0 | 0 | 0 | 113.8 | S433 E434 S455 | S433-N453 PolarHBondContact O-ND2 2.88Å; S433-N453 VanDerWaalsContact O-ND2 3.16Å; E434-N453 PolarHBondContact O-ND2 3.42Å; E434-N453 PolarHBondContact O-OD1 3.3Å; N453-S455 PolarHBondContact O-N 3.27Å |
| 454 | G | 94.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 10.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L128 S452 | L128-G454 WeakPolarHBondContact O-CA 3.48Å; S452-G454 PolarHBondContact O-N 2.97Å |
| 455 | S | 94.9 | Very high | 93 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 53% | 0.531 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 157.8 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | A451 S452 N453 | A451-S455 CarbonylContact C-O 3.57Å; A451-S455 VanDerWaalsContact CA-O 3.3Å; A451-S455 WeakPolarHBondContact CA-O 3.47Å; S452-S455 PolarHBondContact N-O 3.3Å; S452-S455 PolarHBondContact O-N 3.5Å; N453-S455 PolarHBondContact O-N 3.27Å |
| 456 | L | 95.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.4 | 165.5 | -69.2 | 167.4 | 0 | 0 | 0 | 109.1 | L124 L128 I450 I463 Q464 | L124-L456 HydrophobicContact CD1-CD2 4.24Å; L124-L456 HydrophobicContact CD2-CD2 4.22Å; L128-L456 HydrophobicContact CD2-CG 4.49Å; I450-L456 HydrophobicContact CG2-CD2 4.19Å; L456-I463 HydrophobicContact CD1-CB 4.04Å; L456-I463 HydrophobicContact CD1-CG2 4.47Å; L456-I463 HydrophobicContact CD2-CD1 4.31Å; L456-Q464 HydrophobicContact CD1-CB 4.12Å |
| 457 | T | 95 | Very high | 91.7 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.129 | 25% | 0.251 | C | S | . | . | trans | -78.2 | 159.8 | 173.7 | 72.3 | 0 | 0 | 0 | 0 | 110.4 | L436 V449 I450 K459 Y460 E461 | L436-T457 HydrophobicContact CD2-CG2 3.64Å; V449-T457 HydrophobicContact CB-CG2 4.31Å; V449-T457 HydrophobicContact CG1-CG2 3.81Å; V449-T457 VanDerWaalsContact O-CG2 3.3Å; V449-T457 WeakPolarHBondContact O-CG2 3.26Å; V449-T457 PolarHBondContact O-OG1 3.48Å; I450-T457 PolarHBondContact O-N 3.05Å; T457-K459 PolarHBondContact O-N 2.82Å; T457-Y460 CarbonylContact O-C 3.56Å; T457-Y460 WeakPolarHBondContact O-CA 3.33Å; T457-Y460 PolarHBondContact O-N 2.56Å; T457-Y460 WeakPolarHBondContact OG1-CD2 3.3Å; T457-E461 PolarHBondContact O-N 2.97Å; T457-E461 VanDerWaalsContact O-N 3.14Å | ||
| 458 | A | 91.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 49 Ų | 49 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -50.3 | -36.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y460 | A458-Y460 PolarHBondContact O-N 3.34Š|
| 459 | K | 90.9 | Very high | 89.8 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -70 | -19.3 | 179.4 | -165.4 | 173.9 | -173.5 | 175.9 | 0 | 113.2 | D447 T457 Y462 | D447-K459 HydrophobicContact CB-CD 4.25Å; D447-K459 IonicContact OD2-NZ 2.9Å; D447-K459 PolarHBondContact OD2-NZ 3.4Å; T457-K459 PolarHBondContact O-N 2.82Å; K459-Y462 WeakPolarHBondContact O-CD1 3.5Å; K459-Y462 VanDerWaalsContact O-CE1 3.22Å; K459-Y462 WeakPolarHBondContact O-CE1 3.26Å |
| 460 | Y | 94.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -119 | 4.7 | -173.6 | -60.1 | -73.9 | 0 | 0 | 0 | 113.8 | I114 K139 D447 V449 I450 T457 A458 Y462 I463 | I114-Y460 HydrophobicContact CG2-CD1 4.2Å; I114-Y460 HydrophobicContact CG2-CE1 3.92Å; K139-Y460 VanDerWaalsContact CB-OH 3.23Å; K139-Y460 WeakPolarHBondContact CB-OH 3.36Å; K139-Y460 HydrophobicContact CD-CE1 4.46Å; K139-Y460 HydrophobicContact CG-CE1 4.11Å; K139-Y460 VanDerWaalsContact CG-OH 3.23Å; K139-Y460 WeakPolarHBondContact CG-OH 3.44Å; D447-Y460 VanDerWaalsContact O-CE2 3.27Å; D447-Y460 WeakPolarHBondContact O-CE2 3.23Å; D447-Y460 PolarHBondContact O-OH 3.27Å; V449-Y460 WeakPolarHBondContact O-CD2 3.19Å; V449-Y460 WeakPolarHBondContact O-CE2 3.42Å; I450-Y460 HydrophobicContact CB-CD2 4.46Å; I450-Y460 HydrophobicContact CD1-CD1 3.77Å; I450-Y460 HydrophobicContact CD1-CD2 3.85Å; I450-Y460 HydrophobicContact CD1-CE1 3.41Å; I450-Y460 VanDerWaalsContact CD1-CE1 3.41Å; I450-Y460 HydrophobicContact CD1-CE2 3.51Å; I450-Y460 HydrophobicContact CD1-CG 3.98Å; I450-Y460 HydrophobicContact CG2-CG 4.2Å; T457-Y460 CarbonylContact O-C 3.56Å; T457-Y460 WeakPolarHBondContact O-CA 3.33Å; T457-Y460 PolarHBondContact O-N 2.56Å; T457-Y460 WeakPolarHBondContact OG1-CD2 3.3Å; A458-Y460 PolarHBondContact O-N 3.34Å; Y460-Y462 AromaticContact CD1-CE1 3.89Å; Y460-Y462 HydrophobicContact CD1-CE1 3.89Å; Y460-Y462 PolarHBondContact O-N 2.75Å; Y460-Y462 VanDerWaalsContact O-N 3.09Å; Y460-I463 HydrophobicContact CD1-CD1 4.14Å; Y460-I463 HydrophobicContact CG-CD1 4.38Å; Y460-I463 VanDerWaalsContact O-CB 3.25Å; Y460-I463 WeakPolarHBondContact O-CB 3.16Å; Y460-I463 VanDerWaalsContact O-CG1 3.3Å; Y460-I463 WeakPolarHBondContact O-CG1 3.49Å; Y460-I463 PolarHBondContact O-N 3.3Å |
| 461 | E | 92.1 | Very high | 86.7 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.1 | 171.7 | -72.5 | 176.4 | -174.9 | 0 | 0 | 112.2 | T457 I463 Q464 | T457-E461 PolarHBondContact O-N 2.97Å; T457-E461 VanDerWaalsContact O-N 3.14Å; E461-I463 PolarHBondContact O-N 3.17Å; E461-I463 VanDerWaalsContact O-N 3.15Å; E461-Q464 WeakPolarHBondContact O-CB 3.2Å; E461-Q464 PolarHBondContact O-N 2.76Å |
| 462 | Y | 87.9 | Confident | 84.5 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.6 | -23.6 | 173.4 | 79.2 | -96.2 | 0 | 0 | 0 | 113.1 | I114 K459 Y460 Q464 K465 L466 | I114-Y462 WeakPolarHBondContact O-CE2 3.29Å; I114-Y462 PolarHBondContact O-OH 3.03Å; K459-Y462 WeakPolarHBondContact O-CD1 3.5Å; K459-Y462 VanDerWaalsContact O-CE1 3.22Å; K459-Y462 WeakPolarHBondContact O-CE1 3.26Å; Y460-Y462 AromaticContact CD1-CE1 3.89Å; Y460-Y462 HydrophobicContact CD1-CE1 3.89Å; Y460-Y462 PolarHBondContact O-N 2.75Å; Y460-Y462 VanDerWaalsContact O-N 3.09Å; Y462-Q464 PolarHBondContact O-N 3.48Å; Y462-K465 CarbonylContact O-C 3.49Å; Y462-K465 WeakPolarHBondContact O-CB 3.47Å; Y462-K465 PolarHBondContact O-N 3.33Å; Y462-K465 VanDerWaalsContact O-N 3.13Å; Y462-L466 HydrophobicContact CD2-CD1 3.55Å; Y462-L466 HydrophobicContact CD2-CG 3.98Å; Y462-L466 HydrophobicContact CE2-CD1 3.51Å; Y462-L466 HydrophobicContact CE2-CG 4.43Å; Y462-L466 WeakPolarHBondContact O-CG 3.45Å; Y462-L466 PolarHBondContact O-N 2.59Å |
| 463 | I | 89.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 175.5 | -63.5 | 176.5 | 0 | 0 | 0 | 109.5 | A116 L124 I450 L456 Y460 E461 K465 L466 R467 | A116-I463 HydrophobicContact CB-CG2 4.28Å; L124-I463 HydrophobicContact CD2-CG2 3.96Å; I450-I463 HydrophobicContact CG2-CD1 3.95Å; L456-I463 HydrophobicContact CD1-CB 4.04Å; L456-I463 HydrophobicContact CD1-CG2 4.47Å; L456-I463 HydrophobicContact CD2-CD1 4.31Å; Y460-I463 HydrophobicContact CD1-CD1 4.14Å; Y460-I463 HydrophobicContact CG-CD1 4.38Å; Y460-I463 VanDerWaalsContact O-CB 3.25Å; Y460-I463 WeakPolarHBondContact O-CB 3.16Å; Y460-I463 VanDerWaalsContact O-CG1 3.3Å; Y460-I463 WeakPolarHBondContact O-CG1 3.49Å; Y460-I463 PolarHBondContact O-N 3.3Å; E461-I463 PolarHBondContact O-N 3.17Å; E461-I463 VanDerWaalsContact O-N 3.15Å; I463-K465 VanDerWaalsContact C-N 3.34Å; I463-L466 PolarHBondContact O-N 3.12Å; I463-R467 HydrophobicContact CG2-CG 4.42Å; I463-R467 WeakPolarHBondContact O-CB 3.27Å; I463-R467 VanDerWaalsContact O-CG 3.26Å; I463-R467 WeakPolarHBondContact O-CG 3.23Å; I463-R467 PolarHBondContact O-N 2.67Å |
| 464 | Q | 85.8 | Confident | 79.9 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.4 | -175.8 | 59 | 25.5 | 0 | 0 | 110.7 | L456 E461 Y462 L466 R467 E468 | L456-Q464 HydrophobicContact CD1-CB 4.12Å; E461-Q464 WeakPolarHBondContact O-CB 3.2Å; E461-Q464 PolarHBondContact O-N 2.76Å; Y462-Q464 PolarHBondContact O-N 3.48Å; Q464-L466 VanDerWaalsContact C-N 3.35Å; Q464-L466 PolarHBondContact O-N 3.17Å; Q464-R467 WeakPolarHBondContact O-CB 3.48Å; Q464-R467 PolarHBondContact O-N 2.78Å; Q464-E468 WeakPolarHBondContact CG-OE1 3.31Å; Q464-E468 PolarHBondContact NE2-OE1 3.02Å; Q464-E468 WeakPolarHBondContact O-CB 3.48Å; Q464-E468 WeakPolarHBondContact O-CG 3.31Å; Q464-E468 PolarHBondContact O-N 3.44Å |
| 465 | K | 83.1 | Confident | 77.4 | Confident | 144 Ų | 144 | 73.5 Ų | 73.5 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.5 | -36.5 | 174.3 | -170.7 | 176.6 | -178.3 | 179.6 | 0 | 112.7 | Y462 I463 T469 | Y462-K465 CarbonylContact O-C 3.49Å; Y462-K465 WeakPolarHBondContact O-CB 3.47Å; Y462-K465 PolarHBondContact O-N 3.33Å; Y462-K465 VanDerWaalsContact O-N 3.13Å; I463-K465 VanDerWaalsContact C-N 3.34Å; K465-T469 WeakPolarHBondContact O-CB 3.49Å; K465-T469 PolarHBondContact O-N 2.81Å; K465-T469 PolarHBondContact O-OG1 2.69Å |
| 466 | L | 81.1 | Confident | 74.9 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.2 | -73.7 | 178.3 | 0 | 0 | 0 | 111.5 | A116 Y462 I463 Q464 R470 | A116-L466 HydrophobicContact CB-CB 3.6Å; A116-L466 HydrophobicContact CB-CD1 4.12Å; Y462-L466 HydrophobicContact CD2-CD1 3.55Å; Y462-L466 HydrophobicContact CD2-CG 3.98Å; Y462-L466 HydrophobicContact CE2-CD1 3.51Å; Y462-L466 HydrophobicContact CE2-CG 4.43Å; Y462-L466 WeakPolarHBondContact O-CG 3.45Å; Y462-L466 PolarHBondContact O-N 2.59Å; I463-L466 PolarHBondContact O-N 3.12Å; Q464-L466 VanDerWaalsContact C-N 3.35Å; Q464-L466 PolarHBondContact O-N 3.17Å; L466-R470 WeakPolarHBondContact O-CB 3.43Å; L466-R470 PolarHBondContact O-N 3.19Å |
| 467 | R | 81.2 | Confident | 72.1 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -51.1 | 172.7 | -72.9 | 166 | 167.4 | -145.5 | -17.1 | 110.5 | A116 M121 L124 D125 I463 Q464 T469 R470 E471 | A116-R467 HydrophobicContact CB-CG 4.39Å; M121-R467 PolarHBondContact O-NH2 3.1Å; M121-R467 HydrophobicContact SD-CG 4.02Å; M121-R467 PolarHBondContact SD-NE 3.46Å; M121-R467 PolarHBondContact SD-NH2 3.36Å; M121-R467 VanDerWaalsContact SD-NH2 3.38Å; L124-R467 VanDerWaalsContact CD2-NH2 3.32Å; D125-R467 IonicContact OD1-CZ 3.03Å; D125-R467 IonicContact OD1-NH1 3.97Å; D125-R467 PolarHBondContact OD1-NH1 2.68Å; D125-R467 IonicContact OD1-NH2 3.81Å; D125-R467 PolarHBondContact OD1-NH2 3.21Å; I463-R467 HydrophobicContact CG2-CG 4.42Å; I463-R467 WeakPolarHBondContact O-CB 3.27Å; I463-R467 VanDerWaalsContact O-CG 3.26Å; I463-R467 WeakPolarHBondContact O-CG 3.23Å; I463-R467 PolarHBondContact O-N 2.67Å; Q464-R467 WeakPolarHBondContact O-CB 3.48Å; Q464-R467 PolarHBondContact O-N 2.78Å; R467-T469 VanDerWaalsContact C-N 3.34Å; R467-T469 PolarHBondContact O-N 3.3Å; R467-R470 CarbonylContact O-C 3.28Å; R467-R470 WeakPolarHBondContact O-CA 3.12Å; R467-R470 WeakPolarHBondContact O-CB 3.11Å; R467-R470 PolarHBondContact O-N 3.42Å; R467-R470 VanDerWaalsContact O-N 3.1Å; R467-E471 VanDerWaalsContact O-CB 3.31Å; R467-E471 WeakPolarHBondContact O-CB 3.46Å; R467-E471 VanDerWaalsContact O-CG 3.31Å; R467-E471 WeakPolarHBondContact O-CG 3.36Å; R467-E471 PolarHBondContact O-N 2.81Å |
| 468 | E | 77.1 | Confident | 69.5 | Low | 101 Ų | 101 | 81.4 Ų | 81.4 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 176.5 | -72.7 | 167.1 | -168.7 | 0 | 0 | 112.1 | Q464 R470 E471 Y472 | Q464-E468 WeakPolarHBondContact CG-OE1 3.31Å; Q464-E468 PolarHBondContact NE2-OE1 3.02Å; Q464-E468 WeakPolarHBondContact O-CB 3.48Å; Q464-E468 WeakPolarHBondContact O-CG 3.31Å; Q464-E468 PolarHBondContact O-N 3.44Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-E471 PolarHBondContact O-N 2.69Å; E468-Y472 WeakPolarHBondContact O-CA 3.34Å; E468-Y472 WeakPolarHBondContact O-CB 3.21Å; E468-Y472 PolarHBondContact O-N 2.6Å |
| 469 | T | 71.8 | Confident | 67.3 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 174.9 | -57 | 0 | 0 | 0 | 0 | 110 | K465 R467 T473 | K465-T469 WeakPolarHBondContact O-CB 3.49Å; K465-T469 PolarHBondContact O-N 2.81Å; K465-T469 PolarHBondContact O-OG1 2.69Å; R467-T469 VanDerWaalsContact C-N 3.34Å; R467-T469 PolarHBondContact O-N 3.3Å; T469-T473 WeakPolarHBondContact O-CA 3.4Å; T469-T473 WeakPolarHBondContact O-CB 3.41Å; T469-T473 PolarHBondContact O-N 3.07Å; T469-T473 PolarHBondContact O-OG1 3.35Å |
| 470 | R | 67 | Low | 65.4 | Low | 85 Ų | 85 | 85.6 Ų | 85.6 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 175.6 | -178.8 | -173.1 | -179 | 129 | 10.5 | 111.2 | A116 E118 L466 R467 E468 T473 Q474 | A116-R470 PolarHBondContact O-NH1 3.35Å; E118-R470 IonicContact OE2-CZ 2.66Å; E118-R470 IonicContact OE2-NE 3.41Å; E118-R470 IonicContact OE2-NH2 3.61Å; E118-R470 PolarHBondContact OE2-NH2 2.59Å; L466-R470 WeakPolarHBondContact O-CB 3.43Å; L466-R470 PolarHBondContact O-N 3.19Å; R467-R470 CarbonylContact O-C 3.28Å; R467-R470 WeakPolarHBondContact O-CA 3.12Å; R467-R470 WeakPolarHBondContact O-CB 3.11Å; R467-R470 PolarHBondContact O-N 3.42Å; R467-R470 VanDerWaalsContact O-N 3.1Å; E468-R470 VanDerWaalsContact C-N 3.33Å; R470-T473 CarbonylContact O-C 3.57Å; R470-T473 PolarHBondContact O-N 3.46Å; R470-Q474 HydrophobicContact CG-CG 4.27Å; R470-Q474 WeakPolarHBondContact O-CA 2.97Å; R470-Q474 WeakPolarHBondContact O-CB 3.3Å; R470-Q474 WeakPolarHBondContact O-CG 3.4Å; R470-Q474 PolarHBondContact O-N 2.69Å |
| 471 | E | 61.4 | Low | 64.3 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 175.1 | -76.8 | 172.5 | -172.8 | 0 | 0 | 110.5 | R467 E468 Q474 S475 | R467-E471 VanDerWaalsContact O-CB 3.31Å; R467-E471 WeakPolarHBondContact O-CB 3.46Å; R467-E471 VanDerWaalsContact O-CG 3.31Å; R467-E471 WeakPolarHBondContact O-CG 3.36Å; R467-E471 PolarHBondContact O-N 2.81Å; E468-E471 PolarHBondContact O-N 2.69Å; E471-Q474 CarbonylContact O-C 3.54Å; E471-Q474 PolarHBondContact O-N 3.48Å; E471-S475 WeakPolarHBondContact O-CA 3.07Å; E471-S475 WeakPolarHBondContact O-CB 3.02Å; E471-S475 PolarHBondContact O-N 3.18Å; E471-S475 PolarHBondContact O-OG 3.48Å |
| 472 | Y | 51.4 | Low | 64.1 | Low | 147 Ų | 147 | 85.3 Ų | 85.3 | 58% | 0.576 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -71.3 | -38.6 | 171.5 | -179.4 | -108.1 | 0 | 0 | 0 | 111.1 | E468 S475 L476 | E468-Y472 WeakPolarHBondContact O-CA 3.34Å; E468-Y472 WeakPolarHBondContact O-CB 3.21Å; E468-Y472 PolarHBondContact O-N 2.6Å; Y472-S475 VanDerWaalsContact CA-OG 3.3Å; Y472-S475 WeakPolarHBondContact CA-OG 3.05Å; Y472-S475 PolarHBondContact O-N 2.72Å; Y472-S475 PolarHBondContact O-OG 2.72Å; Y472-L476 HydrophobicContact CD1-CD1 3.56Å; Y472-L476 HydrophobicContact CD1-CG 4.29Å; Y472-L476 HydrophobicContact CE1-CD1 3.23Å; Y472-L476 HydrophobicContact CE1-CG 4.05Å; Y472-L476 HydrophobicContact CE2-CD1 4.32Å; Y472-L476 HydrophobicContact CE2-CG 4.27Å; Y472-L476 HydrophobicContact CG-CD1 4.25Å; Y472-L476 WeakPolarHBondContact O-CA 3.4Å; Y472-L476 WeakPolarHBondContact O-CB 3.46Å; Y472-L476 WeakPolarHBondContact O-CD1 3.38Å; Y472-L476 WeakPolarHBondContact O-CG 3.08Å; Y472-L476 PolarHBondContact O-N 3.03Å |
| 473 | T | 48.8 | Very low | 64.4 | Low | 62 Ų | 62 | 86.3 Ų | 86.3 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.2 | -32.4 | 173 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | T469 R470 N477 | T469-T473 WeakPolarHBondContact O-CA 3.4Å; T469-T473 WeakPolarHBondContact O-CB 3.41Å; T469-T473 PolarHBondContact O-N 3.07Å; T469-T473 PolarHBondContact O-OG1 3.35Å; R470-T473 CarbonylContact O-C 3.57Å; R470-T473 PolarHBondContact O-N 3.46Å; T473-N477 WeakPolarHBondContact O-CA 3.31Å; T473-N477 WeakPolarHBondContact O-CB 3.13Å; T473-N477 PolarHBondContact O-N 3.18Å; T473-N477 PolarHBondContact O-ND2 2.63Å; T473-N477 PolarHBondContact O-OD1 2.67Å |
| 474 | Q | 44.4 | Very low | 64.8 | Low | 71 Ų | 71 | 86.3 Ų | 86.3 | 33% | 0.332 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77.9 | -28.8 | 174.4 | -83.5 | 176.2 | -26.9 | 0 | 0 | 110.9 | E118 R470 E471 N477 M478 | E118-Q474 PolarHBondContact OE2-NE2 3.46Å; R470-Q474 HydrophobicContact CG-CG 4.27Å; R470-Q474 WeakPolarHBondContact O-CA 2.97Å; R470-Q474 WeakPolarHBondContact O-CB 3.3Å; R470-Q474 WeakPolarHBondContact O-CG 3.4Å; R470-Q474 PolarHBondContact O-N 2.69Å; E471-Q474 CarbonylContact O-C 3.54Å; E471-Q474 PolarHBondContact O-N 3.48Å; Q474-N477 CarbonylContact O-C 3.6Å; Q474-M478 VanDerWaalsContact O-CB 3.31Å; Q474-M478 WeakPolarHBondContact O-CB 3.46Å; Q474-M478 WeakPolarHBondContact O-CG 3.07Å; Q474-M478 PolarHBondContact O-N 3.23Å |
| 475 | S | 40.5 | Very low | 65.4 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80.8 | -41 | 174 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | E471 Y472 N477 M478 D479 | E471-S475 WeakPolarHBondContact O-CA 3.07Å; E471-S475 WeakPolarHBondContact O-CB 3.02Å; E471-S475 PolarHBondContact O-N 3.18Å; E471-S475 PolarHBondContact O-OG 3.48Å; Y472-S475 VanDerWaalsContact CA-OG 3.3Å; Y472-S475 WeakPolarHBondContact CA-OG 3.05Å; Y472-S475 PolarHBondContact O-N 2.72Å; Y472-S475 PolarHBondContact O-OG 2.72Å; S475-N477 VanDerWaalsContact C-N 3.26Å; S475-N477 PolarHBondContact O-N 3.46Å; S475-M478 PolarHBondContact O-N 3.44Å; S475-D479 PolarHBondContact O-N 3.13Å |
| 476 | L | 42 | Very low | 66.1 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 164.6 | -75.9 | 170.1 | 0 | 0 | 0 | 110.1 | Y472 D479 N480 | Y472-L476 HydrophobicContact CD1-CD1 3.56Å; Y472-L476 HydrophobicContact CD1-CG 4.29Å; Y472-L476 HydrophobicContact CE1-CD1 3.23Å; Y472-L476 HydrophobicContact CE1-CG 4.05Å; Y472-L476 HydrophobicContact CE2-CD1 4.32Å; Y472-L476 HydrophobicContact CE2-CG 4.27Å; Y472-L476 HydrophobicContact CG-CD1 4.25Å; Y472-L476 WeakPolarHBondContact O-CA 3.4Å; Y472-L476 WeakPolarHBondContact O-CB 3.46Å; Y472-L476 WeakPolarHBondContact O-CD1 3.38Å; Y472-L476 WeakPolarHBondContact O-CG 3.08Å; Y472-L476 PolarHBondContact O-N 3.03Å; L476-D479 CarbonylContact O-C 3.6Å; L476-D479 PolarHBondContact O-N 3.31Å; L476-N480 WeakPolarHBondContact O-CB 3.3Å; L476-N480 PolarHBondContact O-N 3.42Å; L476-N480 VanDerWaalsContact O-N 3.11Å |
| 477 | N | 37.9 | Very low | 66.8 | Low | 79 Ų | 79 | 72.4 Ų | 72.4 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.2 | -24.8 | 174.4 | -75.5 | -19.9 | 0 | 0 | 0 | 112.8 | T473 Q474 S475 D479 N480 K481 | T473-N477 WeakPolarHBondContact O-CA 3.31Å; T473-N477 WeakPolarHBondContact O-CB 3.13Å; T473-N477 PolarHBondContact O-N 3.18Å; T473-N477 PolarHBondContact O-ND2 2.63Å; T473-N477 PolarHBondContact O-OD1 2.67Å; Q474-N477 CarbonylContact O-C 3.6Å; S475-N477 VanDerWaalsContact C-N 3.26Å; S475-N477 PolarHBondContact O-N 3.46Å; N477-D479 VanDerWaalsContact C-N 3.29Å; N477-N480 CarbonylContact O-C 3.58Å; N477-N480 WeakPolarHBondContact O-CA 3.37Å; N477-N480 PolarHBondContact O-N 3.37Å; N477-K481 WeakPolarHBondContact O-CA 3.31Å; N477-K481 VanDerWaalsContact O-CG 3.26Å; N477-K481 WeakPolarHBondContact O-CG 3.48Å; N477-K481 PolarHBondContact O-N 3.4Å |
| 478 | M | 40.4 | Very low | 67.3 | Low | 131 Ų | 131 | 71.8 Ų | 71.8 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.3 | -32.1 | 170.4 | -82.8 | -86.6 | -77 | 0 | 0 | 110.3 | Q474 S475 | Q474-M478 VanDerWaalsContact O-CB 3.31Å; Q474-M478 WeakPolarHBondContact O-CB 3.46Å; Q474-M478 WeakPolarHBondContact O-CG 3.07Å; Q474-M478 PolarHBondContact O-N 3.23Å; S475-M478 PolarHBondContact O-N 3.44Å |
| 479 | D | 44 | Very low | 67.9 | Low | 151 Ų | 151 | 67.3 Ų | 67.3 | 81% | 0.807 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.2 | -7.1 | 165.8 | -78.3 | -22.8 | 0 | 0 | 0 | 113.1 | S475 L476 N477 | S475-D479 PolarHBondContact O-N 3.13Å; L476-D479 CarbonylContact O-C 3.6Å; L476-D479 PolarHBondContact O-N 3.31Å; N477-D479 VanDerWaalsContact C-N 3.29Å |
| 480 | N | 52.9 | Low | 68.5 | Low | 121 Ų | 121 | 66 Ų | 66 | 65% | 0.647 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -121.3 | 3.3 | -179.7 | -123.3 | 1.6 | 0 | 0 | 0 | 114.6 | L476 N477 K482 | L476-N480 WeakPolarHBondContact O-CB 3.3Å; L476-N480 PolarHBondContact O-N 3.42Å; L476-N480 VanDerWaalsContact O-N 3.11Å; N477-N480 CarbonylContact O-C 3.58Å; N477-N480 WeakPolarHBondContact O-CA 3.37Å; N477-N480 PolarHBondContact O-N 3.37Å; N480-K482 PolarHBondContact O-N 3.36Å |
| 481 | K | 69.8 | Low | 69.2 | Low | 63 Ų | 63 | 70 Ų | 70 | 27% | 0.274 | 35% | 0.348 | S | S | . | . | trans | -72.3 | 126.4 | 178.1 | -88.2 | -160.6 | -179.2 | -172 | 0 | 107.8 | N477 R483 S505 D507 | N477-K481 WeakPolarHBondContact O-CA 3.31Å; N477-K481 VanDerWaalsContact O-CG 3.26Å; N477-K481 WeakPolarHBondContact O-CG 3.48Å; N477-K481 PolarHBondContact O-N 3.4Å; K481-R483 PolarHBondContact O-N 2.59Å; K481-S505 WeakPolarHBondContact CA-O 3.47Å; K481-D507 VanDerWaalsContact CD-CG 3.46Å; K481-D507 WeakPolarHBondContact CD-OD2 3.42Å; K481-D507 VanDerWaalsContact NZ-CG 3.34Å; K481-D507 IonicContact NZ-OD1 2.64Å; K481-D507 PolarHBondContact NZ-OD1 2.97Å; K481-D507 IonicContact NZ-OD2 3.31Å; K481-D507 PolarHBondContact NZ-OD2 3.03Å; K481-D507 VanDerWaalsContact NZ-OD2 3.1Å | ||
| 482 | K | 88.3 | Confident | 70.5 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.3 | -179.6 | -60 | -170.8 | -165 | 178.9 | 0 | 108.2 | N480 S505 V506 D507 L888 D889 | N480-K482 PolarHBondContact O-N 3.36Å; K482-S505 PolarHBondContact N-O 3.39Å; K482-V506 WeakPolarHBondContact O-CA 3.36Å; K482-D507 PolarHBondContact O-N 3.03Å; K482-L888 HydrophobicContact CB-CD1 4.34Å; K482-L888 HydrophobicContact CB-CD2 4.06Å; K482-L888 HydrophobicContact CD-CB 3.72Å; K482-L888 HydrophobicContact CD-CD2 4.21Å; K482-L888 HydrophobicContact CD-CG 4.37Å; K482-L888 WeakPolarHBondContact CE-O 3.46Å; K482-L888 VanDerWaalsContact NZ-C 3.29Å; K482-L888 PolarHBondContact NZ-O 3.09Å; K482-D889 IonicContact NZ-OD1 3.19Å; K482-D889 PolarHBondContact NZ-OD1 3.07Å |
| 483 | R | 93.9 | Very high | 72.5 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.6 | -176.1 | -69.9 | 176.7 | -66.4 | 179.1 | 3.7 | 109.6 | K481 D507 K548 H549 D550 L551 | K481-R483 PolarHBondContact O-N 2.59Å; R483-D507 CarbonylContact C-O 3.51Å; R483-D507 WeakPolarHBondContact CA-O 3.38Å; R483-D507 HydrophobicContact CG-CB 4.45Å; R483-K548 WeakPolarHBondContact CD-O 3.41Å; R483-K548 PolarHBondContact NE-O 3.37Å; R483-K548 PolarHBondContact NH1-O 3.35Å; R483-K548 PolarHBondContact NH2-O 3.17Å; R483-H549 HydrophobicContact CB-CB 4.29Å; R483-H549 WeakPolarHBondContact O-CB 3.48Å; R483-D550 PolarHBondContact N-OD2 3.28Å; R483-D550 PolarHBondContact O-N 3.48Å; R483-L551 PolarHBondContact O-N 3.02Å |
| 484 | V | 97.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.5 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | L500 V506 D507 I508 T509 H549 L551 I553 L888 | V484-L500 HydrophobicContact CG1-CD1 4.33Å; V484-V506 HydrophobicContact CB-CG1 4.42Å; V484-V506 HydrophobicContact CG2-CG1 3.71Å; V484-D507 PolarHBondContact N-O 2.98Å; V484-I508 HydrophobicContact CB-CG1 4.46Å; V484-I508 CarbonylContact O-C 3.48Å; V484-I508 WeakPolarHBondContact O-CA 3.42Å; V484-T509 PolarHBondContact O-N 2.8Å; V484-H549 PolarHBondContact O-CD2 2.76Å; V484-L551 WeakPolarHBondContact CA-O 3.25Å; V484-I553 HydrophobicContact CG1-CD1 3.69Å; V484-I553 HydrophobicContact CG1-CG1 3.92Å; V484-L888 HydrophobicContact CG2-CD1 3.55Å; V484-L888 HydrophobicContact CG2-CD2 4.4Å; V484-L888 HydrophobicContact CG2-CG 4.49Å |
| 485 | L | 98 | Very high | 76.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.4 | 170.3 | 178.5 | 61.5 | 0 | 0 | 0 | 109.6 | L487 T509 A511 L545 V546 H549 L551 V552 I553 | L485-L487 HydrophobicContact CD1-CD2 4.02Å; L485-L487 HydrophobicContact CD2-CD2 3.88Å; L485-L487 HydrophobicContact CG-CD2 3.72Å; L485-L487 HydrophobicContact CG-CG 4.31Å; L485-T509 CarbonylContact C-O 3.53Å; L485-T509 WeakPolarHBondContact CA-O 3.37Å; L485-T509 HydrophobicContact CD1-CG2 3.95Å; L485-A511 HydrophobicContact CD1-CB 4.34Å; L485-L545 HydrophobicContact CD2-CB 3.92Å; L485-V546 HydrophobicContact CD2-CG2 3.97Å; L485-H549 HydrophobicContact CB-CB 4.05Å; L485-H549 PolarHBondContact N-CD2 3.13Å; L485-L551 PolarHBondContact N-O 2.67Å; L485-V552 HydrophobicContact CB-CG2 4.27Å; L485-V552 HydrophobicContact CD2-CG2 4.29Å; L485-V552 CarbonylContact O-C 3.47Å; L485-V552 WeakPolarHBondContact O-CA 3.24Å; L485-I553 PolarHBondContact O-N 2.76Å |
| 486 | L | 97.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.5 | 173.2 | -177.7 | 62.6 | 0 | 0 | 0 | 110.1 | V496 L497 I508 T509 V510 A511 I553 L555 | L486-V496 HydrophobicContact CD1-CG1 4.26Å; L486-V496 HydrophobicContact CD2-CG1 4.44Å; L486-L497 HydrophobicContact CD2-CD1 4.14Å; L486-L497 HydrophobicContact CD2-CD2 3.56Å; L486-L497 HydrophobicContact CD2-CG 3.69Å; L486-I508 HydrophobicContact CB-CG2 4.26Å; L486-T509 PolarHBondContact N-O 2.75Å; L486-V510 HydrophobicContact CB-CG2 4.3Å; L486-V510 HydrophobicContact CD2-CG2 4.26Å; L486-V510 CarbonylContact O-C 3.43Å; L486-V510 WeakPolarHBondContact O-CA 3.26Å; L486-A511 PolarHBondContact O-N 2.79Å; L486-I553 HydrophobicContact CD1-CB 3.66Å; L486-I553 HydrophobicContact CD1-CG2 3.6Å; L486-L555 HydrophobicContact CD1-CD1 3.86Å; L486-L555 HydrophobicContact CD1-CG 4.02Å |
| 487 | L | 96.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.3 | 176.4 | -54.6 | -179.5 | 0 | 0 | 0 | 110 | L485 A511 V535 L542 V552 I553 L555 L556 V564 | L485-L487 HydrophobicContact CD1-CD2 4.02Å; L485-L487 HydrophobicContact CD2-CD2 3.88Å; L485-L487 HydrophobicContact CG-CD2 3.72Å; L485-L487 HydrophobicContact CG-CG 4.31Å; L487-A511 HydrophobicContact CD2-CB 3.88Å; L487-V535 HydrophobicContact CD2-CG1 4.1Å; L487-L542 HydrophobicContact CD1-CD1 3.99Å; L487-L542 HydrophobicContact CD2-CD1 4.03Å; L487-V552 HydrophobicContact CD1-CG1 3.83Å; L487-V552 HydrophobicContact CG-CG1 4.05Å; L487-I553 PolarHBondContact N-O 3.41Å; L487-L555 CarbonylContact O-C 3.53Å; L487-L555 WeakPolarHBondContact O-CA 3.48Å; L487-L555 PolarHBondContact O-N 2.9Å; L487-L556 HydrophobicContact CB-CD1 3.85Å; L487-L556 HydrophobicContact CB-CD2 4.29Å; L487-L556 HydrophobicContact CB-CG 3.89Å; L487-L556 HydrophobicContact CD1-CD1 4.14Å; L487-V564 HydrophobicContact CD1-CB 4.43Å; L487-V564 HydrophobicContact CD1-CG1 3.74Å; L487-V564 HydrophobicContact CD1-CG2 3.73Å |
| 488 | G | 91.3 | Very high | 84.9 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | trans | 106.9 | 136.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A511 | G488-A511 PolarHBondContact N-O 2.74Š| ||
| 489 | S | 89.7 | Confident | 87.5 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -115.2 | 18.5 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | S493 S512 Q517 | S489-S493 VanDerWaalsContact C-OG 3.29Å; S489-S493 PolarHBondContact O-OG 2.8Å; S489-S512 WeakPolarHBondContact OG-CB 3.5Å; S489-S512 PolarHBondContact OG-OG 2.66Å; S489-Q517 PolarHBondContact O-OE1 3.47Å; S489-Q517 PolarHBondContact OG-OE1 3.41Å | ||
| 490 | G | 84.1 | Confident | 89.9 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 40% | 0.402 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -67 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V492 S493 | G490-V492 PolarHBondContact O-N 3.38Å; G490-S493 VanDerWaalsContact O-CB 3.29Å; G490-S493 WeakPolarHBondContact O-CB 3.48Å; G490-S493 PolarHBondContact O-N 3.29Å; G490-S493 PolarHBondContact O-OG 2.91Å |
| 491 | Y | 82.4 | Confident | 91.8 | Very high | 168 Ų | 168 | 28.6 Ų | 28.6 | 66% | 0.659 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.3 | -173.8 | -69 | -75.8 | 0 | 0 | 0 | 115.3 | S493 G494 S653 | Y491-S493 VanDerWaalsContact C-N 3.27Å; Y491-S493 PolarHBondContact O-N 3.1Å; Y491-G494 PolarHBondContact O-N 3.15Å; Y491-S653 WeakPolarHBondContact CD2-O 3.15Å |
| 492 | V | 89 | Confident | 92.9 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 21% | 0.212 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.8 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | G490 G494 L555 V876 | G490-V492 PolarHBondContact O-N 3.38Å; V492-G494 VanDerWaalsContact C-N 3.26Å; V492-G494 PolarHBondContact O-N 3.24Å; V492-L555 HydrophobicContact CB-CD1 4.32Å; V492-L555 HydrophobicContact CG1-CD1 4.05Å; V492-L555 HydrophobicContact CG1-CD2 4.22Å; V492-V876 HydrophobicContact CG1-CB 3.83Å; V492-V876 HydrophobicContact CG1-CG1 3.55Å; V492-V876 HydrophobicContact CG2-CB 4.28Å; V492-V876 HydrophobicContact CG2-CG1 4.29Å |
| 493 | S | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -27.9 | 179.6 | 67 | 0 | 0 | 0 | 0 | 112.9 | S489 G490 Y491 V496 L497 | S489-S493 VanDerWaalsContact C-OG 3.29Å; S489-S493 PolarHBondContact O-OG 2.8Å; G490-S493 VanDerWaalsContact O-CB 3.29Å; G490-S493 WeakPolarHBondContact O-CB 3.48Å; G490-S493 PolarHBondContact O-N 3.29Å; G490-S493 PolarHBondContact O-OG 2.91Å; Y491-S493 VanDerWaalsContact C-N 3.27Å; Y491-S493 PolarHBondContact O-N 3.1Å; S493-V496 PolarHBondContact O-N 2.89Å; S493-L497 VanDerWaalsContact O-CG 3.29Å; S493-L497 WeakPolarHBondContact O-CG 3.18Å; S493-L497 PolarHBondContact O-N 2.95Å |
| 494 | G | 92.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -59.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y491 V492 V496 L497 E498 Y525 Y869 | Y491-G494 PolarHBondContact O-N 3.15Å; V492-G494 VanDerWaalsContact C-N 3.26Å; V492-G494 PolarHBondContact O-N 3.24Å; G494-V496 VanDerWaalsContact C-N 3.28Å; G494-V496 PolarHBondContact O-N 2.78Å; G494-L497 PolarHBondContact O-N 2.89Å; G494-E498 WeakPolarHBondContact O-CB 3.19Å; G494-E498 PolarHBondContact O-N 3.06Å; G494-Y525 PolarHBondContact O-OH 2.7Å; G494-Y869 PolarHBondContact O-OH 3.22Å |
| 495 | P | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -32.3 | 175.8 | -27.6 | 36.5 | 0 | 0 | 0 | 114.1 | Y499 Y869 A873 Y878 | P495-Y499 VanDerWaalsContact O-CB 3.29Å; P495-Y499 WeakPolarHBondContact O-CB 3.15Å; P495-Y499 PolarHBondContact O-N 3.2Å; P495-Y869 HydrophobicContact CB-CD2 4.37Å; P495-Y869 HydrophobicContact CG-CD1 3.95Å; P495-Y869 HydrophobicContact CG-CD2 3.75Å; P495-Y869 HydrophobicContact CG-CE1 4.4Å; P495-Y869 HydrophobicContact CG-CE2 4.21Å; P495-Y869 HydrophobicContact CG-CG 3.62Å; P495-A873 HydrophobicContact CG-CB 3.92Å; P495-Y878 HydrophobicContact CB-CD1 4.25Å; P495-Y878 HydrophobicContact CB-CD2 4.4Å; P495-Y878 HydrophobicContact CB-CE1 4.03Å; P495-Y878 HydrophobicContact CB-CE2 4.21Å; P495-Y878 HydrophobicContact CB-CG 4.41Å |
| 496 | V | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L486 S493 G494 L500 I553 L555 G877 T880 A881 | L486-V496 HydrophobicContact CD1-CG1 4.26Å; L486-V496 HydrophobicContact CD2-CG1 4.44Å; S493-V496 PolarHBondContact O-N 2.89Å; G494-V496 VanDerWaalsContact C-N 3.28Å; G494-V496 PolarHBondContact O-N 2.78Å; V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 WeakPolarHBondContact O-CB 3.29Å; V496-L500 WeakPolarHBondContact O-CG 3.44Å; V496-L500 PolarHBondContact O-N 3.07Å; V496-I553 HydrophobicContact CG1-CD1 3.87Å; V496-L555 HydrophobicContact CG2-CD1 4.19Å; V496-G877 WeakPolarHBondContact CG2-O 3.42Å; V496-T880 HydrophobicContact CG2-CG2 4.21Å; V496-A881 HydrophobicContact CB-CB 4.35Å; V496-A881 HydrophobicContact CG1-CB 4.24Å; V496-A881 HydrophobicContact CG2-CB 4.32Å |
| 497 | L | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -47.1 | 177.6 | -68.6 | 173.7 | 0 | 0 | 0 | 111 | L486 S493 G494 Y499 L500 T501 I508 V510 L521 Y525 I528 | L486-L497 HydrophobicContact CD2-CD1 4.14Å; L486-L497 HydrophobicContact CD2-CD2 3.56Å; L486-L497 HydrophobicContact CD2-CG 3.69Å; S493-L497 VanDerWaalsContact O-CG 3.29Å; S493-L497 WeakPolarHBondContact O-CG 3.18Å; S493-L497 PolarHBondContact O-N 2.95Å; G494-L497 PolarHBondContact O-N 2.89Å; L497-Y499 PolarHBondContact O-N 3.11Å; L497-L500 PolarHBondContact O-N 3.02Å; L497-T501 VanDerWaalsContact O-CB 3.27Å; L497-T501 WeakPolarHBondContact O-CB 3.21Å; L497-T501 WeakPolarHBondContact O-CG2 3.27Å; L497-T501 PolarHBondContact O-N 3.11Å; L497-T501 PolarHBondContact O-OG1 2.71Å; L497-I508 HydrophobicContact CD2-CB 4.38Å; L497-I508 HydrophobicContact CD2-CD1 3.85Å; L497-I508 HydrophobicContact CD2-CG2 3.66Å; L497-V510 HydrophobicContact CD1-CG2 4.07Å; L497-V510 HydrophobicContact CD2-CG2 3.79Å; L497-L521 HydrophobicContact CD1-CB 4.5Å; L497-L521 HydrophobicContact CD1-CD1 3.79Å; L497-L521 HydrophobicContact CD1-CD2 3.64Å; L497-L521 HydrophobicContact CD1-CG 4.17Å; L497-Y525 HydrophobicContact CB-CD2 4.3Å; L497-Y525 HydrophobicContact CB-CE2 3.87Å; L497-Y525 HydrophobicContact CD1-CE2 4.44Å; L497-I528 HydrophobicContact CB-CD1 4.14Å; L497-I528 HydrophobicContact CD1-CD1 3.81Å; L497-I528 HydrophobicContact CD2-CD1 3.64Å; L497-I528 HydrophobicContact CD2-CG1 4.49Å; L497-I528 HydrophobicContact CG-CD1 4.06Å |
| 498 | E | 94.4 | Very high | 91.1 | Very high | 42 Ų | 42 | 35 Ų | 35 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.6 | -52 | 178.1 | -168.6 | -86 | 134 | 0 | 0 | 111.2 | G494 T501 R502 Y525 Y869 Y878 | G494-E498 WeakPolarHBondContact O-CB 3.19Å; G494-E498 PolarHBondContact O-N 3.06Å; E498-T501 PolarHBondContact O-OG1 3.17Å; E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.46Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 IonicContact OE1-NE 2.57Å; E498-R502 PolarHBondContact OE1-NE 2.77Å; E498-R502 IonicContact OE1-NH2 2.74Å; E498-R502 PolarHBondContact OE1-NH2 2.76Å; E498-R502 IonicContact OE2-CZ 2.83Å; E498-R502 IonicContact OE2-NE 3.61Å; E498-R502 IonicContact OE2-NH2 2.95Å; E498-R502 PolarHBondContact OE2-NH2 2.65Å; E498-Y525 HydrophobicContact CB-CE1 4.31Å; E498-Y525 WeakPolarHBondContact CB-OH 3.37Å; E498-Y869 HydrophobicContact CB-CE2 4.03Å; E498-Y869 WeakPolarHBondContact CB-OH 3.32Å; E498-Y869 HydrophobicContact CG-CE2 4.06Å; E498-Y878 WeakPolarHBondContact OE2-CE1 3.4Å; E498-Y878 PolarHBondContact OE2-OH 3.16Å |
| 499 | Y | 96 | Very high | 91.3 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | -179.4 | -173.1 | -89.2 | 0 | 0 | 0 | 113.3 | P495 L497 R502 Y878 A881 I882 K885 E916 | P495-Y499 VanDerWaalsContact O-CB 3.29Å; P495-Y499 WeakPolarHBondContact O-CB 3.15Å; P495-Y499 PolarHBondContact O-N 3.2Å; L497-Y499 PolarHBondContact O-N 3.11Å; Y499-R502 WeakPolarHBondContact O-CB 3.41Å; Y499-Y878 AromaticContact CD2-CD1 3.99Å; Y499-Y878 HydrophobicContact CD2-CD1 3.99Å; Y499-Y878 HydrophobicContact CD2-CE1 4.25Å; Y499-Y878 HydrophobicContact CG-CD1 4.34Å; Y499-A881 HydrophobicContact CD1-CB 3.69Å; Y499-A881 HydrophobicContact CG-CB 3.94Å; Y499-I882 HydrophobicContact CD2-CG1 4.48Å; Y499-I882 HydrophobicContact CE1-CG1 3.89Å; Y499-I882 HydrophobicContact CE2-CD1 4.47Å; Y499-I882 HydrophobicContact CE2-CG1 3.82Å; Y499-I882 VanDerWaalsContact CZ-CG1 3.5Å; Y499-K885 HydrophobicContact CE1-CB 4.24Å; Y499-K885 HydrophobicContact CE1-CD 4.03Å; Y499-E916 WeakPolarHBondContact CE2-OE1 3.3Å |
| 500 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.9 | -31.4 | -176.9 | -69.3 | 177 | 0 | 0 | 0 | 112.8 | V484 V496 L497 R502 D503 I508 I553 A881 K885 | V484-L500 HydrophobicContact CG1-CD1 4.33Å; V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 WeakPolarHBondContact O-CB 3.29Å; V496-L500 WeakPolarHBondContact O-CG 3.44Å; V496-L500 PolarHBondContact O-N 3.07Å; L497-L500 PolarHBondContact O-N 3.02Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 2.58Å; L500-D503 PolarHBondContact O-N 3.06Å; L500-I508 HydrophobicContact CB-CD1 3.59Å; L500-I508 HydrophobicContact CD1-CD1 4.31Å; L500-I553 HydrophobicContact CD1-CD1 3.67Å; L500-A881 HydrophobicContact CG-CB 4.42Å; L500-K885 HydrophobicContact CD2-CB 4.08Å |
| 501 | T | 92.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.6 | -13 | -179.7 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | L497 E498 D503 I508 Y525 N527 I528 | L497-T501 VanDerWaalsContact O-CB 3.27Å; L497-T501 WeakPolarHBondContact O-CB 3.21Å; L497-T501 WeakPolarHBondContact O-CG2 3.27Å; L497-T501 PolarHBondContact O-N 3.11Å; L497-T501 PolarHBondContact O-OG1 2.71Å; E498-T501 PolarHBondContact O-OG1 3.17Å; T501-D503 PolarHBondContact O-N 3.3Å; T501-I508 HydrophobicContact CG2-CD1 3.66Å; T501-Y525 HydrophobicContact CG2-CD1 4.25Å; T501-Y525 HydrophobicContact CG2-CG 4.38Å; T501-Y525 WeakPolarHBondContact OG1-CD1 3.36Å; T501-N527 WeakPolarHBondContact CB-OD1 3.2Å; T501-N527 WeakPolarHBondContact CG2-OD1 3.39Å; T501-I528 HydrophobicContact CG2-CD1 4.33Å; T501-I528 HydrophobicContact CG2-CG1 4.19Å |
| 502 | R | 92 | Very high | 92.6 | Very high | 129 Ų | 129 | 25.9 Ų | 25.9 | 49% | 0.487 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.3 | 168.2 | -64.4 | 173.1 | -171 | 176.7 | 5.4 | 112.3 | E498 Y499 L500 E916 | E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.46Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 IonicContact OE1-NE 2.57Å; E498-R502 PolarHBondContact OE1-NE 2.77Å; E498-R502 IonicContact OE1-NH2 2.74Å; E498-R502 PolarHBondContact OE1-NH2 2.76Å; E498-R502 IonicContact OE2-CZ 2.83Å; E498-R502 IonicContact OE2-NE 3.61Å; E498-R502 IonicContact OE2-NH2 2.95Å; E498-R502 PolarHBondContact OE2-NH2 2.65Å; Y499-R502 WeakPolarHBondContact O-CB 3.41Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 2.58Å; R502-E916 IonicContact CZ-OE1 2.95Å; R502-E916 IonicContact CZ-OE2 3.67Å; R502-E916 VanDerWaalsContact NH1-CD 3.33Å; R502-E916 IonicContact NH1-OE1 3.96Å; R502-E916 PolarHBondContact NH1-OE1 3.01Å; R502-E916 IonicContact NH1-OE2 3.68Å; R502-E916 PolarHBondContact NH1-OE2 3.26Å; R502-E916 VanDerWaalsContact NH1-OE2 3.13Å; R502-E916 IonicContact NH2-OE1 2.61Å; R502-E916 IonicContact NH2-OE2 3.74Å; R502-E916 PolarHBondContact NH2-OE2 3.38Å |
| 503 | D | 87.2 | Confident | 92.6 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -97.9 | 105.9 | 175.8 | -171.8 | -17.9 | 0 | 0 | 0 | 110.2 | L500 T501 S505 V506 K885 | L500-D503 PolarHBondContact O-N 3.06Å; T501-D503 PolarHBondContact O-N 3.3Å; D503-S505 VanDerWaalsContact CG-OG 3.25Å; D503-S505 PolarHBondContact O-N 3.45Å; D503-S505 VanDerWaalsContact OD1-CB 3.3Å; D503-S505 WeakPolarHBondContact OD1-CB 3.43Å; D503-S505 PolarHBondContact OD1-N 3.37Å; D503-S505 PolarHBondContact OD1-OG 3.48Å; D503-S505 PolarHBondContact OD2-OG 2.98Å; D503-V506 HydrophobicContact CB-CG2 4.05Å; D503-V506 PolarHBondContact O-N 3.33Å; D503-K885 IonicContact OD2-NZ 3.34Å; D503-K885 PolarHBondContact OD2-NZ 2.96Å |
| 504 | S | 84.6 | Confident | 92.3 | Very high | 103 Ų | 103 | 32.5 Ų | 32.5 | 72% | 0.72 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9 | -179.3 | 60 | 0 | 0 | 0 | 0 | 114.2 | V506 | S504-V506 VanDerWaalsContact C-N 3.33Š|
| 505 | S | 84.4 | Confident | 91.9 | Very high | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6 | 174 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | K481 K482 D503 | K481-S505 WeakPolarHBondContact CA-O 3.47Å; K482-S505 PolarHBondContact N-O 3.39Å; D503-S505 VanDerWaalsContact CG-OG 3.25Å; D503-S505 PolarHBondContact O-N 3.45Å; D503-S505 VanDerWaalsContact OD1-CB 3.3Å; D503-S505 WeakPolarHBondContact OD1-CB 3.43Å; D503-S505 PolarHBondContact OD1-N 3.37Å; D503-S505 PolarHBondContact OD1-OG 3.48Å; D503-S505 PolarHBondContact OD2-OG 2.98Å |
| 506 | V | 91 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.2 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | K482 V484 D503 S504 I508 N527 L888 | K482-V506 WeakPolarHBondContact O-CA 3.36Å; V484-V506 HydrophobicContact CB-CG1 4.42Å; V484-V506 HydrophobicContact CG2-CG1 3.71Å; D503-V506 HydrophobicContact CB-CG2 4.05Å; D503-V506 PolarHBondContact O-N 3.33Å; S504-V506 VanDerWaalsContact C-N 3.33Å; V506-I508 HydrophobicContact CG1-CG1 3.95Å; V506-N527 PolarHBondContact O-ND2 3.25Å; V506-L888 HydrophobicContact CG2-CD1 4.49Å |
| 507 | D | 91.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.8 | 171.9 | -79 | -7.5 | 0 | 0 | 0 | 109.2 | K481 K482 R483 V484 | K481-D507 VanDerWaalsContact CD-CG 3.46Å; K481-D507 WeakPolarHBondContact CD-OD2 3.42Å; K481-D507 VanDerWaalsContact NZ-CG 3.34Å; K481-D507 IonicContact NZ-OD1 2.64Å; K481-D507 PolarHBondContact NZ-OD1 2.97Å; K481-D507 IonicContact NZ-OD2 3.31Å; K481-D507 PolarHBondContact NZ-OD2 3.03Å; K481-D507 VanDerWaalsContact NZ-OD2 3.1Å; K482-D507 PolarHBondContact O-N 3.03Å; R483-D507 CarbonylContact C-O 3.51Å; R483-D507 WeakPolarHBondContact CA-O 3.38Å; R483-D507 HydrophobicContact CG-CB 4.45Å; V484-D507 PolarHBondContact N-O 2.98Å |
| 508 | I | 95.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.8 | -174 | -49 | 177.1 | 0 | 0 | 0 | 110.6 | V484 L486 L497 L500 T501 V506 V510 N527 I528 T529 | V484-I508 HydrophobicContact CB-CG1 4.46Å; V484-I508 CarbonylContact O-C 3.48Å; V484-I508 WeakPolarHBondContact O-CA 3.42Å; L486-I508 HydrophobicContact CB-CG2 4.26Å; L497-I508 HydrophobicContact CD2-CB 4.38Å; L497-I508 HydrophobicContact CD2-CD1 3.85Å; L497-I508 HydrophobicContact CD2-CG2 3.66Å; L500-I508 HydrophobicContact CB-CD1 3.59Å; L500-I508 HydrophobicContact CD1-CD1 4.31Å; T501-I508 HydrophobicContact CG2-CD1 3.66Å; V506-I508 HydrophobicContact CG1-CG1 3.95Å; I508-V510 HydrophobicContact CG2-CG2 4.17Å; I508-N527 PolarHBondContact N-O 2.85Å; I508-I528 HydrophobicContact CB-CG1 4.4Å; I508-I528 CarbonylContact O-C 3.52Å; I508-I528 WeakPolarHBondContact O-CA 3.4Å; I508-T529 PolarHBondContact O-N 3.37Å |
| 509 | T | 96.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.6 | 166 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | V484 L485 L486 T529 V531 H549 | V484-T509 PolarHBondContact O-N 2.8Å; L485-T509 CarbonylContact C-O 3.53Å; L485-T509 WeakPolarHBondContact CA-O 3.37Å; L485-T509 HydrophobicContact CD1-CG2 3.95Å; L486-T509 PolarHBondContact N-O 2.75Å; T509-T529 CarbonylContact C-O 3.49Å; T509-T529 VanDerWaalsContact CA-O 3.25Å; T509-T529 WeakPolarHBondContact CA-O 3.35Å; T509-V531 HydrophobicContact CG2-CB 4.44Å; T509-V531 HydrophobicContact CG2-CG2 3.55Å; T509-H549 WeakPolarHBondContact CB-NE2 3.33Å; T509-H549 PolarHBondContact OG1-NE2 2.76Å |
| 510 | V | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.5 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L486 L497 I508 L518 L521 I528 T529 V531 | L486-V510 HydrophobicContact CB-CG2 4.3Å; L486-V510 HydrophobicContact CD2-CG2 4.26Å; L486-V510 CarbonylContact O-C 3.43Å; L486-V510 WeakPolarHBondContact O-CA 3.26Å; L497-V510 HydrophobicContact CD1-CG2 4.07Å; L497-V510 HydrophobicContact CD2-CG2 3.79Å; I508-V510 HydrophobicContact CG2-CG2 4.17Å; V510-L518 HydrophobicContact CB-CD2 4Å; V510-L518 HydrophobicContact CG1-CD2 3.6Å; V510-L521 HydrophobicContact CG1-CD1 4.29Å; V510-I528 HydrophobicContact CB-CG2 4.36Å; V510-I528 HydrophobicContact CG2-CG2 3.64Å; V510-T529 PolarHBondContact N-O 2.89Å; V510-V531 PolarHBondContact O-N 3.3Å |
| 511 | A | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L485 L486 L487 G488 V531 M533 | L485-A511 HydrophobicContact CD1-CB 4.34Å; L486-A511 PolarHBondContact O-N 2.79Å; L487-A511 HydrophobicContact CD2-CB 3.88Å; G488-A511 PolarHBondContact N-O 2.74Å; A511-V531 VanDerWaalsContact CA-O 3.26Å; A511-V531 WeakPolarHBondContact CA-O 3.46Å; A511-V531 HydrophobicContact CB-CB 4.31Å; A511-M533 HydrophobicContact CB-CE 4.5Å |
| 512 | S | 92.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 160 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | S489 M514 V531 H532 M533 | S489-S512 WeakPolarHBondContact OG-CB 3.5Å; S489-S512 PolarHBondContact OG-OG 2.66Å; S512-M514 PolarHBondContact OG-N 2.74Å; S512-V531 PolarHBondContact N-O 2.82Å; S512-V531 VanDerWaalsContact N-O 3.16Å; S512-H532 WeakPolarHBondContact O-CA 3.07Å; S512-H532 PolarHBondContact O-CD2 3.2Å; S512-M533 CarbonylContact C-O 3.56Å; S512-M533 PolarHBondContact O-N 3.41Å |
| 513 | V | 88.9 | Confident | 88.2 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -81.5 | -17.8 | 170.2 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | K515 H532 D534 | V513-K515 PolarHBondContact O-N 3Å; V513-H532 PolarHBondContact O-CD2 3.5Å; V513-H532 PolarHBondContact O-NE2 3.4Å; V513-D534 VanDerWaalsContact CG1-CA 3.48Å; V513-D534 HydrophobicContact CG1-CB 3.68Å |
| 514 | M | 85.7 | Confident | 88.1 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | trans | -88 | 92.1 | -176.8 | -60.3 | -58.8 | -179.4 | 0 | 0 | 110.4 | S512 E516 Q517 L518 | S512-M514 PolarHBondContact OG-N 2.74Å; M514-E516 PolarHBondContact O-N 2.7Å; M514-Q517 HydrophobicContact CB-CB 4.1Å; M514-Q517 HydrophobicContact CB-CG 4.08Å; M514-Q517 PolarHBondContact O-N 3.42Å; M514-L518 PolarHBondContact O-N 3.03Å | ||
| 515 | K | 85 | Confident | 88 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | -175.2 | -171.1 | -179.6 | 177.1 | -167.7 | 0 | 113.1 | V513 Q517 L518 E519 | V513-K515 PolarHBondContact O-N 3Å; K515-Q517 PolarHBondContact O-N 2.98Å; K515-L518 WeakPolarHBondContact O-CB 3.33Å; K515-L518 PolarHBondContact O-N 2.95Å; K515-E519 WeakPolarHBondContact CE-OE1 3.25Å; K515-E519 IonicContact NZ-OE1 2.88Å; K515-E519 PolarHBondContact O-N 3.19Å; K515-E519 VanDerWaalsContact O-N 3.11Å |
| 516 | E | 84.6 | Confident | 87.6 | Confident | 158 Ų | 158 | 64.7 Ų | 64.7 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | -178.5 | -65.9 | 172.3 | -177.6 | 0 | 0 | 111.9 | M514 L518 E519 E520 | M514-E516 PolarHBondContact O-N 2.7Å; E516-L518 VanDerWaalsContact C-N 3.33Å; E516-L518 PolarHBondContact O-N 2.87Å; E516-E519 PolarHBondContact O-N 3.11Å; E516-E520 PolarHBondContact O-N 3.05Å |
| 517 | Q | 84.2 | Confident | 87.1 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 176.6 | -68.6 | 176.9 | -10.9 | 0 | 0 | 112.1 | S489 M514 K515 E519 E520 L521 | S489-Q517 PolarHBondContact O-OE1 3.47Å; S489-Q517 PolarHBondContact OG-OE1 3.41Å; M514-Q517 HydrophobicContact CB-CB 4.1Å; M514-Q517 HydrophobicContact CB-CG 4.08Å; M514-Q517 PolarHBondContact O-N 3.42Å; K515-Q517 PolarHBondContact O-N 2.98Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 3.2Å; Q517-E520 PolarHBondContact O-N 3.03Å; Q517-L521 VanDerWaalsContact O-CG 3.24Å; Q517-L521 WeakPolarHBondContact O-CG 3.39Å; Q517-L521 PolarHBondContact O-N 3.16Å |
| 518 | L | 87.6 | Confident | 87 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.3 | -70.1 | 174.8 | 0 | 0 | 0 | 112.1 | V510 M514 K515 E516 L521 T522 A530 H532 | V510-L518 HydrophobicContact CB-CD2 4Å; V510-L518 HydrophobicContact CG1-CD2 3.6Å; M514-L518 PolarHBondContact O-N 3.03Å; K515-L518 WeakPolarHBondContact O-CB 3.33Å; K515-L518 PolarHBondContact O-N 2.95Å; E516-L518 VanDerWaalsContact C-N 3.33Å; E516-L518 PolarHBondContact O-N 2.87Å; L518-L521 PolarHBondContact O-N 3.25Å; L518-T522 WeakPolarHBondContact O-CG2 3.35Å; L518-T522 PolarHBondContact O-N 2.84Å; L518-T522 VanDerWaalsContact O-N 3.1Å; L518-T522 PolarHBondContact O-OG1 3.07Å; L518-A530 HydrophobicContact CB-CB 4Å; L518-A530 HydrophobicContact CD2-CB 4.22Å; L518-A530 HydrophobicContact CG-CB 4.49Å; L518-H532 HydrophobicContact CD1-CB 4.27Å |
| 519 | E | 85.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 69 Ų | 69 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 177.2 | -69.8 | 177.6 | -172.2 | 0 | 0 | 112.1 | K515 E516 Q517 T522 K523 | K515-E519 WeakPolarHBondContact CE-OE1 3.25Å; K515-E519 IonicContact NZ-OE1 2.88Å; K515-E519 PolarHBondContact O-N 3.19Å; K515-E519 VanDerWaalsContact O-N 3.11Å; E516-E519 PolarHBondContact O-N 3.11Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 3.2Å; E519-T522 PolarHBondContact O-OG1 3.38Å; E519-T522 VanDerWaalsContact O-OG1 3.1Å; E519-K523 VanDerWaalsContact O-CG 3.32Å; E519-K523 WeakPolarHBondContact O-CG 3.34Å; E519-K523 PolarHBondContact O-N 3.4Å |
| 520 | E | 85.2 | Confident | 86.6 | Confident | 133 Ų | 133 | 70.2 Ų | 70.2 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 173.8 | -70.7 | -178.5 | 166.6 | 0 | 0 | 112.2 | E516 Q517 T522 K523 K524 | E516-E520 PolarHBondContact O-N 3.05Å; Q517-E520 PolarHBondContact O-N 3.03Å; E520-T522 PolarHBondContact O-N 3.19Å; E520-K523 PolarHBondContact O-N 3.3Å; E520-K524 PolarHBondContact O-N 2.96Å |
| 521 | L | 83.2 | Confident | 86.4 | Confident | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | -179.9 | -71.1 | 173.4 | 0 | 0 | 0 | 112.4 | L497 V510 Q517 L518 K523 K524 Y525 | L497-L521 HydrophobicContact CD1-CB 4.5Å; L497-L521 HydrophobicContact CD1-CD1 3.79Å; L497-L521 HydrophobicContact CD1-CD2 3.64Å; L497-L521 HydrophobicContact CD1-CG 4.17Å; V510-L521 HydrophobicContact CG1-CD1 4.29Å; Q517-L521 VanDerWaalsContact O-CG 3.24Å; Q517-L521 WeakPolarHBondContact O-CG 3.39Å; Q517-L521 PolarHBondContact O-N 3.16Å; L518-L521 PolarHBondContact O-N 3.25Å; L521-K523 VanDerWaalsContact C-N 3.33Å; L521-K523 PolarHBondContact O-N 2.85Å; L521-K524 PolarHBondContact O-N 2.89Å; L521-K524 VanDerWaalsContact O-N 3.17Å; L521-Y525 HydrophobicContact CD2-CE2 4.21Å; L521-Y525 WeakPolarHBondContact O-CD2 3.35Å; L521-Y525 PolarHBondContact O-N 3Å |
| 522 | T | 82.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 34% | 0.344 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.6 | -23.7 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | L518 E519 E520 I528 A530 | L518-T522 WeakPolarHBondContact O-CG2 3.35Å; L518-T522 PolarHBondContact O-N 2.84Å; L518-T522 VanDerWaalsContact O-N 3.1Å; L518-T522 PolarHBondContact O-OG1 3.07Å; E519-T522 PolarHBondContact O-OG1 3.38Å; E519-T522 VanDerWaalsContact O-OG1 3.1Å; E520-T522 PolarHBondContact O-N 3.19Å; T522-I528 HydrophobicContact CG2-CG2 4.34Å; T522-A530 HydrophobicContact CG2-CB 3.58Å |
| 523 | K | 85.8 | Confident | 86.2 | Confident | 170 Ų | 170 | 77.7 Ų | 77.7 | 74% | 0.739 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.2 | -31.7 | 169.1 | -71.2 | 168.5 | -171.8 | 168.5 | 0 | 112.1 | E519 E520 L521 | E519-K523 VanDerWaalsContact O-CG 3.32Å; E519-K523 WeakPolarHBondContact O-CG 3.34Å; E519-K523 PolarHBondContact O-N 3.4Å; E520-K523 PolarHBondContact O-N 3.3Å; L521-K523 VanDerWaalsContact C-N 3.33Å; L521-K523 PolarHBondContact O-N 2.85Å |
| 524 | K | 84.6 | Confident | 86.1 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -81.9 | -35 | -175.7 | -170 | 174.7 | -178.7 | -176.8 | 0 | 113.1 | E520 L521 Y869 | E520-K524 PolarHBondContact O-N 2.96Å; L521-K524 PolarHBondContact O-N 2.89Å; L521-K524 VanDerWaalsContact O-N 3.17Å; K524-Y869 PolarHBondContact NZ-OH 3.35Å |
| 525 | Y | 83.8 | Confident | 86.1 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | trans | -126.4 | 129.8 | -174.8 | -54.3 | -74.8 | 0 | 0 | 0 | 111.8 | G494 L497 E498 T501 L521 I528 Y869 | G494-Y525 PolarHBondContact O-OH 2.7Å; L497-Y525 HydrophobicContact CB-CD2 4.3Å; L497-Y525 HydrophobicContact CB-CE2 3.87Å; L497-Y525 HydrophobicContact CD1-CE2 4.44Å; E498-Y525 HydrophobicContact CB-CE1 4.31Å; E498-Y525 WeakPolarHBondContact CB-OH 3.37Å; T501-Y525 HydrophobicContact CG2-CD1 4.25Å; T501-Y525 HydrophobicContact CG2-CG 4.38Å; T501-Y525 WeakPolarHBondContact OG1-CD1 3.36Å; L521-Y525 HydrophobicContact CD2-CE2 4.21Å; L521-Y525 WeakPolarHBondContact O-CD2 3.35Å; L521-Y525 PolarHBondContact O-N 3Å; Y525-I528 VanDerWaalsContact CB-CD1 3.44Å; Y525-I528 HydrophobicContact CD2-CD1 3.44Å; Y525-I528 VanDerWaalsContact CD2-CD1 3.44Å; Y525-I528 HydrophobicContact CE2-CD1 4.4Å; Y525-I528 HydrophobicContact CG-CD1 3.68Å; Y525-I528 HydrophobicContact CG-CG1 4.42Å; Y525-Y869 PolarHBondContact OH-OH 3.19Å | ||
| 526 | S | 74.9 | Confident | 86.1 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 91% | 0.909 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.1 | -175 | 53.1 | 0 | 0 | 0 | 0 | 115 | ||
| 527 | N | 80.8 | Confident | 86 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 28.1 | -178.6 | 58.2 | -28.1 | 0 | 0 | 0 | 113.3 | T501 V506 I508 | T501-N527 WeakPolarHBondContact CB-OD1 3.2Å; T501-N527 WeakPolarHBondContact CG2-OD1 3.39Å; V506-N527 PolarHBondContact O-ND2 3.25Å; I508-N527 PolarHBondContact N-O 2.85Å |
| 528 | I | 89.9 | Confident | 86 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134 | 177.9 | -61.7 | -173.9 | 0 | 0 | 0 | 111.4 | L497 T501 I508 V510 T522 Y525 | L497-I528 HydrophobicContact CB-CD1 4.14Å; L497-I528 HydrophobicContact CD1-CD1 3.81Å; L497-I528 HydrophobicContact CD2-CD1 3.64Å; L497-I528 HydrophobicContact CD2-CG1 4.49Å; L497-I528 HydrophobicContact CG-CD1 4.06Å; T501-I528 HydrophobicContact CG2-CD1 4.33Å; T501-I528 HydrophobicContact CG2-CG1 4.19Å; I508-I528 HydrophobicContact CB-CG1 4.4Å; I508-I528 CarbonylContact O-C 3.52Å; I508-I528 WeakPolarHBondContact O-CA 3.4Å; V510-I528 HydrophobicContact CB-CG2 4.36Å; V510-I528 HydrophobicContact CG2-CG2 3.64Å; T522-I528 HydrophobicContact CG2-CG2 4.34Å; Y525-I528 VanDerWaalsContact CB-CD1 3.44Å; Y525-I528 HydrophobicContact CD2-CD1 3.44Å; Y525-I528 VanDerWaalsContact CD2-CD1 3.44Å; Y525-I528 HydrophobicContact CE2-CD1 4.4Å; Y525-I528 HydrophobicContact CG-CD1 3.68Å; Y525-I528 HydrophobicContact CG-CG1 4.42Å |
| 529 | T | 91.6 | Very high | 85.8 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 53% | 0.534 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.8 | 166.2 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | I508 T509 V510 | I508-T529 PolarHBondContact O-N 3.37Å; T509-T529 CarbonylContact C-O 3.49Å; T509-T529 VanDerWaalsContact CA-O 3.25Å; T509-T529 WeakPolarHBondContact CA-O 3.35Å; V510-T529 PolarHBondContact N-O 2.89Å |
| 530 | A | 92.1 | Very high | 85.5 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L518 T522 | L518-A530 HydrophobicContact CB-CB 4Å; L518-A530 HydrophobicContact CD2-CB 4.22Å; L518-A530 HydrophobicContact CG-CB 4.49Å; T522-A530 HydrophobicContact CG2-CB 3.58Å |
| 531 | V | 92 | Very high | 85.4 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 112.7 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | T509 V510 A511 S512 M533 L545 | T509-V531 HydrophobicContact CG2-CB 4.44Å; T509-V531 HydrophobicContact CG2-CG2 3.55Å; V510-V531 PolarHBondContact O-N 3.3Å; A511-V531 VanDerWaalsContact CA-O 3.26Å; A511-V531 WeakPolarHBondContact CA-O 3.46Å; A511-V531 HydrophobicContact CB-CB 4.31Å; S512-V531 PolarHBondContact N-O 2.82Å; S512-V531 VanDerWaalsContact N-O 3.16Å; V531-M533 HydrophobicContact CG1-CB 4.2Å; V531-M533 PolarHBondContact O-N 2.94Å; V531-L545 HydrophobicContact CG1-CD1 4.12Å; V531-L545 HydrophobicContact CG2-CD2 4.46Å |
| 532 | H | 93.2 | Very high | 85.8 | Confident | 119 Ų | 119 | 75.2 Ų | 75.2 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.8 | 173.8 | -176.1 | -122.1 | 0 | 0 | 0 | 109.9 | S512 V513 L518 | S512-H532 WeakPolarHBondContact O-CA 3.07Å; S512-H532 PolarHBondContact O-CD2 3.2Å; V513-H532 PolarHBondContact O-CD2 3.5Å; V513-H532 PolarHBondContact O-NE2 3.4Å; L518-H532 HydrophobicContact CD1-CB 4.27Å |
| 533 | M | 88.5 | Confident | 86.1 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.059 | 38% | 0.378 | C | S | . | . | trans | -159 | 139.7 | -175.8 | -173.9 | 178.8 | 69.4 | 0 | 0 | 112.3 | A511 S512 V531 V535 H538 N541 L542 L545 | A511-M533 HydrophobicContact CB-CE 4.5Å; S512-M533 CarbonylContact C-O 3.56Å; S512-M533 PolarHBondContact O-N 3.41Å; V531-M533 HydrophobicContact CG1-CB 4.2Å; V531-M533 PolarHBondContact O-N 2.94Å; M533-V535 HydrophobicContact CE-CB 4.47Å; M533-V535 HydrophobicContact CE-CG1 3.74Å; M533-V535 PolarHBondContact O-N 3.5Å; M533-H538 HydrophobicContact CG-CB 4.04Å; M533-H538 HydrophobicContact SD-CB 4.17Å; M533-N541 HydrophobicContact SD-CB 3.52Å; M533-N541 VanDerWaalsContact SD-CB 3.52Å; M533-L542 HydrophobicContact CE-CB 4.23Å; M533-L542 HydrophobicContact CE-CD1 4.36Å; M533-L545 HydrophobicContact CE-CD1 3.6Å; M533-L545 HydrophobicContact SD-CD1 4.02Å | ||
| 534 | D | 87.8 | Confident | 86.3 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | trans | -84.9 | 103.3 | 162 | -174.2 | -28 | 0 | 0 | 0 | 109.4 | V513 I536 K537 H538 | V513-D534 VanDerWaalsContact CG1-CA 3.48Å; V513-D534 HydrophobicContact CG1-CB 3.68Å; D534-I536 PolarHBondContact O-N 3.05Å; D534-I536 PolarHBondContact OD1-N 3.36Å; D534-K537 HydrophobicContact CB-CB 4.22Å; D534-K537 PolarHBondContact O-N 2.79Å; D534-K537 PolarHBondContact OD1-N 2.85Å; D534-K537 VanDerWaalsContact OD1-N 3.14Å; D534-K537 VanDerWaalsContact OD2-CD 3.27Å; D534-K537 WeakPolarHBondContact OD2-CD 3.14Å; D534-K537 WeakPolarHBondContact OD2-CE 3.18Å; D534-K537 WeakPolarHBondContact OD2-CG 3.38Å; D534-K537 IonicContact OD2-NZ 3.38Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.19Å; D534-H538 PolarHBondContact O-ND1 3.31Å | ||
| 535 | V | 85.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.9 | -178.4 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | L487 M533 L542 L556 | L487-V535 HydrophobicContact CD2-CG1 4.1Å; M533-V535 HydrophobicContact CE-CB 4.47Å; M533-V535 HydrophobicContact CE-CG1 3.74Å; M533-V535 PolarHBondContact O-N 3.5Å; V535-L542 HydrophobicContact CB-CD2 4.47Å; V535-L542 HydrophobicContact CG1-CD1 4.46Å; V535-L556 HydrophobicContact CB-CD1 4.42Å; V535-L556 HydrophobicContact CG2-CD1 3.55Å; V535-L556 HydrophobicContact CG2-CD2 4.2Å |
| 536 | I | 83.3 | Confident | 87.2 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -39.8 | -178.9 | -59.1 | 177.7 | 0 | 0 | 0 | 109.8 | D534 A560 | D534-I536 PolarHBondContact O-N 3.05Å; D534-I536 PolarHBondContact OD1-N 3.36Å; I536-A560 HydrophobicContact CD1-CB 4.49Å |
| 537 | K | 84.3 | Confident | 88 | Confident | 164 Ų | 164 | 63.3 Ų | 63.3 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -26.2 | -179.1 | -65.8 | -177.5 | -173.3 | 172.8 | 0 | 114 | D534 | D534-K537 HydrophobicContact CB-CB 4.22Å; D534-K537 PolarHBondContact O-N 2.79Å; D534-K537 PolarHBondContact OD1-N 2.85Å; D534-K537 VanDerWaalsContact OD1-N 3.14Å; D534-K537 VanDerWaalsContact OD2-CD 3.27Å; D534-K537 WeakPolarHBondContact OD2-CD 3.14Å; D534-K537 WeakPolarHBondContact OD2-CE 3.18Å; D534-K537 WeakPolarHBondContact OD2-CG 3.38Å; D534-K537 IonicContact OD2-NZ 3.38Å |
| 538 | H | 84.4 | Confident | 88.6 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | trans | -113.7 | 57.7 | -173.5 | -52.8 | 98.9 | 0 | 0 | 0 | 112.2 | M533 D534 E540 N541 L542 | M533-H538 HydrophobicContact CG-CB 4.04Å; M533-H538 HydrophobicContact SD-CB 4.17Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.19Å; D534-H538 PolarHBondContact O-ND1 3.31Å; H538-E540 VanDerWaalsContact C-N 3.31Å; H538-E540 PolarHBondContact O-N 2.7Å; H538-N541 HydrophobicContact CB-CB 4.15Å; H538-N541 PolarHBondContact O-N 2.91Å; H538-L542 PolarHBondContact O-N 3.09Å | ||
| 539 | E | 82.9 | Confident | 88.9 | Confident | 84 Ų | 84 | 67 Ų | 67 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | -175.4 | -72.8 | -162.3 | -154.6 | 0 | 0 | 115 | L542 S543 L563 K567 | E539-L542 WeakPolarHBondContact O-CB 3.42Å; E539-L542 PolarHBondContact O-N 2.75Å; E539-S543 PolarHBondContact O-N 2.92Å; E539-L563 HydrophobicContact CG-CD1 3.94Å; E539-L563 HydrophobicContact CG-CD2 4.24Å; E539-L563 WeakPolarHBondContact OE2-CD1 3.47Å; E539-K567 WeakPolarHBondContact OE2-CE 3.35Å; E539-K567 IonicContact OE2-NZ 3.62Å; E539-K567 PolarHBondContact OE2-NZ 3.3Å |
| 540 | E | 79.6 | Confident | 89.1 | Confident | 144 Ų | 144 | 66.1 Ų | 66.1 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 179.3 | -69.3 | -57 | 141.6 | 0 | 0 | 111.3 | H538 L542 S543 S544 | H538-E540 VanDerWaalsContact C-N 3.31Å; H538-E540 PolarHBondContact O-N 2.7Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.47Å; E540-S543 WeakPolarHBondContact O-CB 3.47Å; E540-S543 PolarHBondContact O-N 3.05Å; E540-S544 PolarHBondContact O-N 3.31Å; E540-S544 VanDerWaalsContact O-N 3.08Å |
| 541 | N | 83.5 | Confident | 89.4 | Confident | 88 Ų | 88 | 64 Ų | 64 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176 | -67.3 | 8.2 | 0 | 0 | 0 | 110.7 | M533 H538 S543 S544 L545 | M533-N541 HydrophobicContact SD-CB 3.52Å; M533-N541 VanDerWaalsContact SD-CB 3.52Å; H538-N541 HydrophobicContact CB-CB 4.15Å; H538-N541 PolarHBondContact O-N 2.91Å; N541-S543 VanDerWaalsContact C-N 3.35Å; N541-S543 PolarHBondContact O-N 3.44Å; N541-S544 PolarHBondContact O-N 3.38Å; N541-S544 PolarHBondContact O-OG 3.06Å; N541-L545 PolarHBondContact O-N 3.29Å |
| 542 | L | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 173.8 | 177.7 | 62.5 | 0 | 0 | 0 | 111.3 | L487 M533 V535 H538 E539 E540 S544 L545 V546 V564 K567 | L487-L542 HydrophobicContact CD1-CD1 3.99Å; L487-L542 HydrophobicContact CD2-CD1 4.03Å; M533-L542 HydrophobicContact CE-CB 4.23Å; M533-L542 HydrophobicContact CE-CD1 4.36Å; V535-L542 HydrophobicContact CB-CD2 4.47Å; V535-L542 HydrophobicContact CG1-CD1 4.46Å; H538-L542 PolarHBondContact O-N 3.09Å; E539-L542 WeakPolarHBondContact O-CB 3.42Å; E539-L542 PolarHBondContact O-N 2.75Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.47Å; L542-S544 VanDerWaalsContact C-N 3.31Å; L542-S544 PolarHBondContact O-N 3.1Å; L542-L545 PolarHBondContact O-N 3.48Å; L542-V546 HydrophobicContact CD1-CG2 4.01Å; L542-V546 HydrophobicContact CG-CG2 4.26Å; L542-V546 VanDerWaalsContact O-CG2 3.27Å; L542-V546 WeakPolarHBondContact O-CG2 3.29Å; L542-V546 PolarHBondContact O-N 2.98Å; L542-V564 HydrophobicContact CD2-CG2 4.42Å; L542-K567 HydrophobicContact CD2-CG 4.1Å; L542-K567 HydrophobicContact CG-CG 4.33Å |
| 543 | S | 89.4 | Confident | 89.9 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.7 | -165.6 | 0 | 0 | 0 | 0 | 112 | E539 E540 N541 L545 V546 K547 N571 | E539-S543 PolarHBondContact O-N 2.92Å; E540-S543 WeakPolarHBondContact O-CB 3.47Å; E540-S543 PolarHBondContact O-N 3.05Å; N541-S543 VanDerWaalsContact C-N 3.35Å; N541-S543 PolarHBondContact O-N 3.44Å; S543-L545 VanDerWaalsContact C-N 3.3Å; S543-L545 PolarHBondContact O-N 3.1Å; S543-V546 PolarHBondContact O-N 3.07Å; S543-K547 WeakPolarHBondContact O-CB 3.34Å; S543-K547 PolarHBondContact O-N 2.73Å; S543-N571 PolarHBondContact OG-ND2 3.35Å |
| 544 | S | 88.8 | Confident | 90.3 | Very high | 56 Ų | 56 | 56 Ų | 56 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 178.6 | 81.5 | 0 | 0 | 0 | 0 | 113.2 | E540 N541 L542 K548 | E540-S544 PolarHBondContact O-N 3.31Å; E540-S544 VanDerWaalsContact O-N 3.08Å; N541-S544 PolarHBondContact O-N 3.38Å; N541-S544 PolarHBondContact O-OG 3.06Å; L542-S544 VanDerWaalsContact C-N 3.31Å; L542-S544 PolarHBondContact O-N 3.1Å; S544-K548 WeakPolarHBondContact O-CG 3.37Å |
| 545 | L | 91.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.9 | -51.4 | 175.2 | -74.4 | 168.6 | 0 | 0 | 0 | 110.2 | L485 V531 M533 N541 L542 S543 K547 K548 H549 | L485-L545 HydrophobicContact CD2-CB 3.92Å; V531-L545 HydrophobicContact CG1-CD1 4.12Å; V531-L545 HydrophobicContact CG2-CD2 4.46Å; M533-L545 HydrophobicContact CE-CD1 3.6Å; M533-L545 HydrophobicContact SD-CD1 4.02Å; N541-L545 PolarHBondContact O-N 3.29Å; L542-L545 PolarHBondContact O-N 3.48Å; S543-L545 VanDerWaalsContact C-N 3.3Å; S543-L545 PolarHBondContact O-N 3.1Å; L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 3.25Å; L545-K548 WeakPolarHBondContact O-CB 3.3Å; L545-K548 PolarHBondContact O-N 3.24Å; L545-H549 PolarHBondContact O-CE1 3.17Å; L545-H549 PolarHBondContact O-ND1 3.33Å |
| 546 | V | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.6 | -47.7 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L485 L542 S543 K548 H549 V552 K567 N571 V573 | L485-V546 HydrophobicContact CD2-CG2 3.97Å; L542-V546 HydrophobicContact CD1-CG2 4.01Å; L542-V546 HydrophobicContact CG-CG2 4.26Å; L542-V546 VanDerWaalsContact O-CG2 3.27Å; L542-V546 WeakPolarHBondContact O-CG2 3.29Å; L542-V546 PolarHBondContact O-N 2.98Å; S543-V546 PolarHBondContact O-N 3.07Å; V546-K548 PolarHBondContact O-N 2.85Å; V546-H549 PolarHBondContact O-N 3.47Å; V546-V552 HydrophobicContact CB-CG2 4.45Å; V546-V552 HydrophobicContact CG1-CG2 4.03Å; V546-V552 HydrophobicContact CG2-CG2 4.02Å; V546-K567 HydrophobicContact CG2-CB 4.32Å; V546-N571 HydrophobicContact CG1-CB 4.09Å; V546-V573 HydrophobicContact CG1-CB 3.91Å; V546-V573 HydrophobicContact CG1-CG1 4.32Å; V546-V573 HydrophobicContact CG1-CG2 3.92Å |
| 547 | K | 93.1 | Very high | 91.1 | Very high | 155 Ų | 155 | 56.4 Ų | 56.4 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.1 | 178.7 | -170.6 | 175.1 | 177 | 179.8 | 0 | 114.9 | S543 L545 N571 | S543-K547 WeakPolarHBondContact O-CB 3.34Å; S543-K547 PolarHBondContact O-N 2.73Å; L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 3.25Å; K547-N571 HydrophobicContact CB-CB 4.39Å; K547-N571 WeakPolarHBondContact CB-OD1 3.41Å |
| 548 | K | 92.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 55.4 Ų | 55.4 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1 | -178.9 | -67.4 | 174.3 | -177.9 | -179.7 | 0 | 113.4 | R483 S544 L545 V546 | R483-K548 WeakPolarHBondContact CD-O 3.41Å; R483-K548 PolarHBondContact NE-O 3.37Å; R483-K548 PolarHBondContact NH1-O 3.35Å; R483-K548 PolarHBondContact NH2-O 3.17Å; S544-K548 WeakPolarHBondContact O-CG 3.37Å; L545-K548 WeakPolarHBondContact O-CB 3.3Å; L545-K548 PolarHBondContact O-N 3.24Å; V546-K548 PolarHBondContact O-N 2.85Å |
| 549 | H | 96.5 | Very high | 91.3 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | trans | -124.1 | 155.7 | -174.3 | -61.4 | 82.7 | 0 | 0 | 0 | 111 | R483 V484 L485 T509 L545 V546 V573 | R483-H549 HydrophobicContact CB-CB 4.29Å; R483-H549 WeakPolarHBondContact O-CB 3.48Å; V484-H549 PolarHBondContact O-CD2 2.76Å; L485-H549 HydrophobicContact CB-CB 4.05Å; L485-H549 PolarHBondContact N-CD2 3.13Å; T509-H549 WeakPolarHBondContact CB-NE2 3.33Å; T509-H549 PolarHBondContact OG1-NE2 2.76Å; L545-H549 PolarHBondContact O-CE1 3.17Å; L545-H549 PolarHBondContact O-ND1 3.33Å; V546-H549 PolarHBondContact O-N 3.47Å; H549-V573 WeakPolarHBondContact O-CG1 3.41Å; H549-V573 WeakPolarHBondContact O-CG2 3.14Å | ||
| 550 | D | 95.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -90.5 | -24.3 | -179.7 | -53 | -62.3 | 0 | 0 | 0 | 111.7 | R483 L888 | R483-D550 PolarHBondContact N-OD2 3.28Å; R483-D550 PolarHBondContact O-N 3.48Å; D550-L888 HydrophobicContact CB-CD2 4.36Å |
| 551 | L | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.8 | 178.1 | 177.5 | 67.5 | 0 | 0 | 0 | 111.1 | R483 V484 L485 I553 N574 V576 A884 V887 L888 | R483-L551 PolarHBondContact O-N 3.02Å; V484-L551 WeakPolarHBondContact CA-O 3.25Å; L485-L551 PolarHBondContact N-O 2.67Å; L551-I553 HydrophobicContact CD2-CG1 4.37Å; L551-N574 HydrophobicContact CD1-CB 3.55Å; L551-V576 HydrophobicContact CD1-CG2 3.8Å; L551-V576 HydrophobicContact CD2-CG2 4.18Å; L551-V576 HydrophobicContact CG-CG2 4.47Å; L551-A884 HydrophobicContact CD2-CB 3.57Å; L551-A884 WeakPolarHBondContact CD2-O 3.48Å; L551-V887 HydrophobicContact CD1-CG1 4.09Å; L551-L888 HydrophobicContact CB-CD2 3.68Å; L551-L888 HydrophobicContact CB-CG 4.35Å; L551-L888 HydrophobicContact CD2-CD1 4.27Å; L551-L888 HydrophobicContact CD2-CD2 4.13Å; L551-L888 HydrophobicContact CD2-CG 3.84Å |
| 552 | V | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.3 | 168.4 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | L485 L487 V546 V564 V573 N574 L575 V576 | L485-V552 HydrophobicContact CB-CG2 4.27Å; L485-V552 HydrophobicContact CD2-CG2 4.29Å; L485-V552 CarbonylContact O-C 3.47Å; L485-V552 WeakPolarHBondContact O-CA 3.24Å; L487-V552 HydrophobicContact CD1-CG1 3.83Å; L487-V552 HydrophobicContact CG-CG1 4.05Å; V546-V552 HydrophobicContact CB-CG2 4.45Å; V546-V552 HydrophobicContact CG1-CG2 4.03Å; V546-V552 HydrophobicContact CG2-CG2 4.02Å; V552-V564 HydrophobicContact CG1-CG1 3.96Å; V552-V573 HydrophobicContact CG2-CG1 3.91Å; V552-N574 PolarHBondContact N-O 3.23Å; V552-L575 HydrophobicContact CB-CD1 3.98Å; V552-L575 HydrophobicContact CG1-CD1 3.9Å; V552-L575 CarbonylContact O-C 3.55Å; V552-L575 VanDerWaalsContact O-CA 3.31Å; V552-L575 WeakPolarHBondContact O-CA 3.49Å; V552-L575 WeakPolarHBondContact O-CD1 3.47Å; V552-V576 PolarHBondContact O-N 3.23Å |
| 553 | I | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120 | 168.8 | -55.2 | 175.6 | 0 | 0 | 0 | 107.6 | V484 L485 L486 L487 V496 L500 L551 L555 V576 T880 A884 | V484-I553 HydrophobicContact CG1-CD1 3.69Å; V484-I553 HydrophobicContact CG1-CG1 3.92Å; L485-I553 PolarHBondContact O-N 2.76Å; L486-I553 HydrophobicContact CD1-CB 3.66Å; L486-I553 HydrophobicContact CD1-CG2 3.6Å; L487-I553 PolarHBondContact N-O 3.41Å; V496-I553 HydrophobicContact CG1-CD1 3.87Å; L500-I553 HydrophobicContact CD1-CD1 3.67Å; L551-I553 HydrophobicContact CD2-CG1 4.37Å; I553-L555 HydrophobicContact CG2-CD2 4.4Å; I553-L555 HydrophobicContact CG2-CG 4.26Å; I553-V576 WeakPolarHBondContact CA-O 3.46Å; I553-V576 HydrophobicContact CG1-CB 4.36Å; I553-T880 HydrophobicContact CG2-CG2 3.62Å; I553-A884 HydrophobicContact CD1-CB 3.57Å; I553-A884 HydrophobicContact CG1-CB 4.08Å |
| 554 | S | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 108.4 | 178 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | H561 V576 | S554-H561 PolarHBondContact OG-CE1 3.35Å; S554-H561 PolarHBondContact OG-ND1 3.14Å; S554-V576 PolarHBondContact N-O 3.46Å |
| 555 | L | 94.8 | Very high | 94 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | trans | -105.9 | 24.8 | 170.1 | -60.4 | -176.2 | 0 | 0 | 0 | 111.7 | L486 L487 V492 V496 I553 A578 T880 | L486-L555 HydrophobicContact CD1-CD1 3.86Å; L486-L555 HydrophobicContact CD1-CG 4.02Å; L487-L555 CarbonylContact O-C 3.53Å; L487-L555 WeakPolarHBondContact O-CA 3.48Å; L487-L555 PolarHBondContact O-N 2.9Å; V492-L555 HydrophobicContact CB-CD1 4.32Å; V492-L555 HydrophobicContact CG1-CD1 4.05Å; V492-L555 HydrophobicContact CG1-CD2 4.22Å; V496-L555 HydrophobicContact CG2-CD1 4.19Å; I553-L555 HydrophobicContact CG2-CD2 4.4Å; I553-L555 HydrophobicContact CG2-CG 4.26Å; L555-A578 HydrophobicContact CD2-CB 4.09Å; L555-T880 HydrophobicContact CD2-CG2 4.28Å | ||
| 556 | L | 91 | Very high | 94.3 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.1 | 167.8 | 175.6 | -59.8 | 174.6 | 0 | 0 | 0 | 111.4 | L487 V535 Y558 A560 H561 V564 | L487-L556 HydrophobicContact CB-CD1 3.85Å; L487-L556 HydrophobicContact CB-CD2 4.29Å; L487-L556 HydrophobicContact CB-CG 3.89Å; L487-L556 HydrophobicContact CD1-CD1 4.14Å; V535-L556 HydrophobicContact CB-CD1 4.42Å; V535-L556 HydrophobicContact CG2-CD1 3.55Å; V535-L556 HydrophobicContact CG2-CD2 4.2Å; L556-Y558 PolarHBondContact O-N 3.25Å; L556-A560 HydrophobicContact CB-CB 4.18Å; L556-A560 HydrophobicContact CD1-CB 4.17Å; L556-H561 PolarHBondContact O-CE1 3.23Å; L556-H561 VanDerWaalsContact O-CE1 3.23Å; L556-V564 HydrophobicContact CD1-CG2 4.12Å |
| 557 | P | 86.8 | Confident | 94.3 | Very high | 91 Ų | 91 | 45 Ų | 45 | 59% | 0.591 | 23% | 0.225 | S | C | * | . | trans | -52 | 138.5 | 165.9 | -26 | 35.4 | 0 | 0 | 0 | 111.6 | S559 A560 | P557-S559 PolarHBondContact O-N 3.47Å; P557-A560 WeakPolarHBondContact O-CB 3.18Å; P557-A560 PolarHBondContact O-N 2.78Å | ||
| 558 | Y | 86.3 | Confident | 94.6 | Very high | 144 Ų | 144 | 37.7 Ų | 37.7 | 57% | 0.565 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -60.6 | -20.2 | -171.2 | 68.5 | -97 | 0 | 0 | 0 | 114.6 | L556 A560 H561 T582 | L556-Y558 PolarHBondContact O-N 3.25Å; Y558-A560 PolarHBondContact O-N 3.48Å; Y558-H561 PolarHBondContact O-N 2.92Å; Y558-T582 HydrophobicContact CD2-CG2 4.18Å |
| 559 | S | 86.8 | Confident | 94.8 | Very high | 90 Ų | 90 | 33 Ų | 33 | 63% | 0.629 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -64.8 | -23.5 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | P557 | P557-S559 PolarHBondContact O-N 3.47Š|
| 560 | A | 90.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -84.1 | -17.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I536 L556 P557 Y558 L563 V564 | I536-A560 HydrophobicContact CD1-CB 4.49Å; L556-A560 HydrophobicContact CB-CB 4.18Å; L556-A560 HydrophobicContact CD1-CB 4.17Å; P557-A560 WeakPolarHBondContact O-CB 3.18Å; P557-A560 PolarHBondContact O-N 2.78Å; Y558-A560 PolarHBondContact O-N 3.48Å; A560-L563 WeakPolarHBondContact O-CB 3.42Å; A560-L563 PolarHBondContact O-N 3.33Å; A560-L563 VanDerWaalsContact O-N 3.13Å; A560-V564 PolarHBondContact O-N 3.44Å; A560-V564 VanDerWaalsContact O-N 3.16Å |
| 561 | H | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | -174.2 | -63.6 | -18 | 0 | 0 | 0 | 114.1 | S554 L556 Y558 L563 V564 A565 S579 M585 | S554-H561 PolarHBondContact OG-CE1 3.35Å; S554-H561 PolarHBondContact OG-ND1 3.14Å; L556-H561 PolarHBondContact O-CE1 3.23Å; L556-H561 VanDerWaalsContact O-CE1 3.23Å; Y558-H561 PolarHBondContact O-N 2.92Å; H561-L563 VanDerWaalsContact C-N 3.27Å; H561-L563 PolarHBondContact O-N 3.05Å; H561-V564 PolarHBondContact O-N 2.9Å; H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.44Å; H561-A565 PolarHBondContact O-N 2.7Å; H561-S579 VanDerWaalsContact NE2-CB 3.29Å; H561-S579 WeakPolarHBondContact NE2-CB 3.44Å; H561-S579 PolarHBondContact NE2-OG 2.94Å; H561-M585 VanDerWaalsContact C-SD 3.52Å; H561-M585 HydrophobicContact CB-CE 4.38Å; H561-M585 HydrophobicContact CB-CG 4.32Å; H561-M585 HydrophobicContact CB-SD 3.78Å |
| 562 | P | 95.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 16% | 0.156 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -35.5 | 176.3 | -25.4 | 35.6 | 0 | 0 | 0 | 113.3 | K566 A584 M585 | P562-K566 VanDerWaalsContact O-CG 3.26Å; P562-K566 WeakPolarHBondContact O-CG 3.36Å; P562-K566 PolarHBondContact O-N 3.49Å; P562-K566 VanDerWaalsContact O-N 3.09Å; P562-A584 HydrophobicContact CG-CB 4.02Å; P562-M585 HydrophobicContact CG-CG 4.29Å; P562-M585 HydrophobicContact CG-SD 4.25Å |
| 563 | L | 95.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 175.4 | 172.8 | 66.3 | 0 | 0 | 0 | 110.7 | E539 A560 H561 A565 K566 K567 | E539-L563 HydrophobicContact CG-CD1 3.94Å; E539-L563 HydrophobicContact CG-CD2 4.24Å; E539-L563 WeakPolarHBondContact OE2-CD1 3.47Å; A560-L563 WeakPolarHBondContact O-CB 3.42Å; A560-L563 PolarHBondContact O-N 3.33Å; A560-L563 VanDerWaalsContact O-N 3.13Å; H561-L563 VanDerWaalsContact C-N 3.27Å; H561-L563 PolarHBondContact O-N 3.05Å; L563-A565 PolarHBondContact O-N 3.16Å; L563-K566 PolarHBondContact O-N 2.6Å; L563-K567 PolarHBondContact O-N 3.24Å |
| 564 | V | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | L487 L542 V552 L556 A560 H561 K566 K567 C568 L575 | L487-V564 HydrophobicContact CD1-CB 4.43Å; L487-V564 HydrophobicContact CD1-CG1 3.74Å; L487-V564 HydrophobicContact CD1-CG2 3.73Å; L542-V564 HydrophobicContact CD2-CG2 4.42Å; V552-V564 HydrophobicContact CG1-CG1 3.96Å; L556-V564 HydrophobicContact CD1-CG2 4.12Å; A560-V564 PolarHBondContact O-N 3.44Å; A560-V564 VanDerWaalsContact O-N 3.16Å; H561-V564 PolarHBondContact O-N 2.9Å; V564-K566 PolarHBondContact O-N 2.97Å; V564-K567 PolarHBondContact O-N 3.24Å; V564-K567 VanDerWaalsContact O-N 3.12Å; V564-C568 PolarHBondContact O-N 3.23Å; V564-C568 PolarHBondContact O-SG 2.86Å; V564-L575 HydrophobicContact CG1-CD1 3.94Å; V564-L575 HydrophobicContact CG1-CD2 4.36Å |
| 565 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H561 L563 K567 C568 I569 L575 M585 L588 | H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.44Å; H561-A565 PolarHBondContact O-N 2.7Å; L563-A565 PolarHBondContact O-N 3.16Å; A565-K567 VanDerWaalsContact C-N 3.33Å; A565-K567 PolarHBondContact O-N 2.87Å; A565-C568 WeakPolarHBondContact O-CB 3.45Å; A565-C568 PolarHBondContact O-N 3.46Å; A565-C568 VanDerWaalsContact O-N 3.14Å; A565-I569 VanDerWaalsContact O-CG1 3.23Å; A565-I569 WeakPolarHBondContact O-CG1 3.35Å; A565-I569 PolarHBondContact O-N 2.79Å; A565-L575 HydrophobicContact CB-CD2 3.94Å; A565-M585 HydrophobicContact CB-CE 3.95Å; A565-M585 HydrophobicContact CB-SD 3.83Å; A565-L588 HydrophobicContact CB-CD1 3.75Å |
| 566 | K | 97 | Very high | 95 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 48% | 0.478 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 174.2 | -74.5 | 171.5 | -177.2 | -178.7 | 0 | 112.5 | P562 L563 V564 I569 N570 L588 | P562-K566 VanDerWaalsContact O-CG 3.26Å; P562-K566 WeakPolarHBondContact O-CG 3.36Å; P562-K566 PolarHBondContact O-N 3.49Å; P562-K566 VanDerWaalsContact O-N 3.09Å; L563-K566 PolarHBondContact O-N 2.6Å; V564-K566 PolarHBondContact O-N 2.97Å; K566-I569 PolarHBondContact O-N 3.41Å; K566-N570 WeakPolarHBondContact O-CB 3.44Å; K566-N570 PolarHBondContact O-N 3.26Å; K566-N570 PolarHBondContact O-ND2 3.3Å; K566-N570 PolarHBondContact O-OD1 2.91Å; K566-L588 HydrophobicContact CG-CD1 4.3Å; K566-L588 HydrophobicContact CG-CD2 4.28Å |
| 567 | K | 97.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.1 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 175.6 | -57.4 | -54.2 | -178.8 | -175.5 | 0 | 111.9 | E539 L542 V546 L563 V564 A565 N571 | E539-K567 WeakPolarHBondContact OE2-CE 3.35Å; E539-K567 IonicContact OE2-NZ 3.62Å; E539-K567 PolarHBondContact OE2-NZ 3.3Å; L542-K567 HydrophobicContact CD2-CG 4.1Å; L542-K567 HydrophobicContact CG-CG 4.33Å; V546-K567 HydrophobicContact CG2-CB 4.32Å; L563-K567 PolarHBondContact O-N 3.24Å; V564-K567 PolarHBondContact O-N 3.24Å; V564-K567 VanDerWaalsContact O-N 3.12Å; A565-K567 VanDerWaalsContact C-N 3.33Å; A565-K567 PolarHBondContact O-N 2.87Å; K567-N571 PolarHBondContact O-N 3.29Å; K567-N571 PolarHBondContact O-ND2 2.86Å |
| 568 | C | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 175 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | V564 A565 N571 K572 V573 I597 | V564-C568 PolarHBondContact O-N 3.23Å; V564-C568 PolarHBondContact O-SG 2.86Å; A565-C568 WeakPolarHBondContact O-CB 3.45Å; A565-C568 PolarHBondContact O-N 3.46Å; A565-C568 VanDerWaalsContact O-N 3.14Å; C568-N571 CarbonylContact O-C 3.59Å; C568-N571 PolarHBondContact O-N 2.9Å; C568-K572 WeakPolarHBondContact O-CA 3.15Å; C568-K572 PolarHBondContact O-N 2.95Å; C568-V573 WeakPolarHBondContact CB-O 3.35Å; C568-V573 PolarHBondContact O-N 3.45Å; C568-I597 HydrophobicContact CB-CD1 4.33Å |
| 569 | I | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -52 | 174.8 | -69.9 | 162.8 | 0 | 0 | 0 | 110.4 | A565 K566 N571 K572 L588 V592 A595 I597 | A565-I569 VanDerWaalsContact O-CG1 3.23Å; A565-I569 WeakPolarHBondContact O-CG1 3.35Å; A565-I569 PolarHBondContact O-N 2.79Å; K566-I569 PolarHBondContact O-N 3.41Å; I569-N571 PolarHBondContact O-N 3.42Å; I569-K572 PolarHBondContact O-N 3.32Å; I569-L588 HydrophobicContact CD1-CB 4.1Å; I569-L588 HydrophobicContact CD1-CD1 4.35Å; I569-V592 HydrophobicContact CD1-CG2 3.69Å; I569-V592 HydrophobicContact CG1-CG2 3.82Å; I569-A595 HydrophobicContact CG2-CB 4.13Å; I569-I597 HydrophobicContact CG1-CD1 4Å |
| 570 | N | 96.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 31.6 Ų | 31.6 | 64% | 0.636 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -61.2 | -30.4 | -177.6 | -70.5 | -9.9 | 0 | 0 | 0 | 113.3 | K566 | K566-N570 WeakPolarHBondContact O-CB 3.44Å; K566-N570 PolarHBondContact O-N 3.26Å; K566-N570 PolarHBondContact O-ND2 3.3Å; K566-N570 PolarHBondContact O-OD1 2.91Å |
| 571 | N | 96.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -103.1 | 1.1 | -178.4 | -68 | -74.2 | 0 | 0 | 0 | 113.6 | S543 V546 K547 K567 C568 I569 V573 | S543-N571 PolarHBondContact OG-ND2 3.35Å; V546-N571 HydrophobicContact CG1-CB 4.09Å; K547-N571 HydrophobicContact CB-CB 4.39Å; K547-N571 WeakPolarHBondContact CB-OD1 3.41Å; K567-N571 PolarHBondContact O-N 3.29Å; K567-N571 PolarHBondContact O-ND2 2.86Å; C568-N571 CarbonylContact O-C 3.59Å; C568-N571 PolarHBondContact O-N 2.9Å; I569-N571 PolarHBondContact O-N 3.42Å; N571-V573 HydrophobicContact CB-CG2 4.06Å |
| 572 | K | 97.4 | Very high | 96.2 | Very high | 158 Ų | 158 | 34.7 Ų | 34.7 | 69% | 0.687 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 44.9 | -176.6 | -53.6 | -176.3 | -179.2 | -174.8 | 0 | 114 | C568 I569 I597 | C568-K572 WeakPolarHBondContact O-CA 3.15Å; C568-K572 PolarHBondContact O-N 2.95Å; I569-K572 PolarHBondContact O-N 3.32Å; K572-I597 HydrophobicContact CB-CG2 4.18Å |
| 573 | V | 98 | Very high | 96 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | trans | -109.9 | 140.9 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 110 | V546 H549 V552 C568 N571 I597 | V546-V573 HydrophobicContact CG1-CB 3.91Å; V546-V573 HydrophobicContact CG1-CG1 4.32Å; V546-V573 HydrophobicContact CG1-CG2 3.92Å; H549-V573 WeakPolarHBondContact O-CG1 3.41Å; H549-V573 WeakPolarHBondContact O-CG2 3.14Å; V552-V573 HydrophobicContact CG2-CG1 3.91Å; C568-V573 WeakPolarHBondContact CB-O 3.35Å; C568-V573 PolarHBondContact O-N 3.45Å; N571-V573 HydrophobicContact CB-CG2 4.06Å; V573-I597 VanDerWaalsContact O-CD1 3.29Å; V573-I597 WeakPolarHBondContact O-CD1 3.26Å | ||
| 574 | N | 98.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 158.9 | 178.2 | -62.6 | -48 | 0 | 0 | 0 | 111.5 | L551 V552 T598 V887 | L551-N574 HydrophobicContact CD1-CB 3.55Å; V552-N574 PolarHBondContact N-O 3.23Å; N574-T598 WeakPolarHBondContact CA-O 3.32Å; N574-T598 WeakPolarHBondContact CB-O 3.43Å; N574-T598 PolarHBondContact OD1-N 2.96Å; N574-V887 HydrophobicContact CB-CG1 3.89Å |
| 575 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.6 | 178.9 | 175.8 | 62 | 0 | 0 | 0 | 111.5 | V552 V564 A565 T577 M585 T598 V599 I600 | V552-L575 HydrophobicContact CB-CD1 3.98Å; V552-L575 HydrophobicContact CG1-CD1 3.9Å; V552-L575 CarbonylContact O-C 3.55Å; V552-L575 VanDerWaalsContact O-CA 3.31Å; V552-L575 WeakPolarHBondContact O-CA 3.49Å; V552-L575 WeakPolarHBondContact O-CD1 3.47Å; V564-L575 HydrophobicContact CG1-CD1 3.94Å; V564-L575 HydrophobicContact CG1-CD2 4.36Å; A565-L575 HydrophobicContact CB-CD2 3.94Å; L575-T577 HydrophobicContact CD1-CG2 4.09Å; L575-T577 HydrophobicContact CD2-CG2 4.16Å; L575-T577 HydrophobicContact CG-CG2 3.92Å; L575-M585 HydrophobicContact CD2-CE 4.41Å; L575-T598 PolarHBondContact N-O 3.16Å; L575-V599 HydrophobicContact CB-CB 4.47Å; L575-V599 HydrophobicContact CB-CG1 4.11Å; L575-V599 HydrophobicContact CB-CG2 4.11Å; L575-V599 HydrophobicContact CD2-CG1 3.98Å; L575-V599 HydrophobicContact CG-CG1 4.19Å; L575-V599 CarbonylContact O-C 3.54Å; L575-V599 VanDerWaalsContact O-CA 3.3Å; L575-V599 WeakPolarHBondContact O-CA 3.44Å; L575-I600 PolarHBondContact O-N 3.31Å |
| 576 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.6 | 170.1 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | L551 V552 I553 S554 I600 M603 T880 A884 | L551-V576 HydrophobicContact CD1-CG2 3.8Å; L551-V576 HydrophobicContact CD2-CG2 4.18Å; L551-V576 HydrophobicContact CG-CG2 4.47Å; V552-V576 PolarHBondContact O-N 3.23Å; I553-V576 WeakPolarHBondContact CA-O 3.46Å; I553-V576 HydrophobicContact CG1-CB 4.36Å; S554-V576 PolarHBondContact N-O 3.46Å; V576-I600 CarbonylContact C-O 3.46Å; V576-I600 WeakPolarHBondContact CA-O 3.41Å; V576-I600 HydrophobicContact CB-CG2 3.74Å; V576-I600 HydrophobicContact CG1-CG2 3.83Å; V576-I600 HydrophobicContact CG2-CG2 3.27Å; V576-M603 HydrophobicContact CG1-CB 4.47Å; V576-M603 HydrophobicContact CG1-CG 4.35Å; V576-T880 HydrophobicContact CG1-CG2 3.83Å; V576-A884 HydrophobicContact CG2-CB 4.11Å |
| 577 | T | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.9 | 173.6 | 83.8 | 0 | 0 | 0 | 0 | 111.9 | L575 S579 I600 S601 E602 M603 | L575-T577 HydrophobicContact CD1-CG2 4.09Å; L575-T577 HydrophobicContact CD2-CG2 4.16Å; L575-T577 HydrophobicContact CG-CG2 3.92Å; T577-S579 VanDerWaalsContact C-N 3.29Å; T577-I600 PolarHBondContact N-O 3.28Å; T577-S601 CarbonylContact O-C 3.42Å; T577-E602 PolarHBondContact O-N 3.18Å; T577-M603 PolarHBondContact O-N 2.83Å |
| 578 | A | 95.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -92.9 | 21.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L555 V876 T880 | L555-A578 HydrophobicContact CD2-CB 4.09Å; A578-V876 HydrophobicContact CB-CG1 3.69Å; A578-T880 WeakPolarHBondContact CB-OG1 3.3Å |
| 579 | S | 92.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -121.1 | 160.2 | -170.7 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | H561 T577 E602 | H561-S579 VanDerWaalsContact NE2-CB 3.29Å; H561-S579 WeakPolarHBondContact NE2-CB 3.44Å; H561-S579 PolarHBondContact NE2-OG 2.94Å; T577-S579 VanDerWaalsContact C-N 3.29Å; S579-E602 WeakPolarHBondContact O-CA 3.32Å; S579-E602 WeakPolarHBondContact O-CG 3.3Å; S579-E602 PolarHBondContact O-N 2.98Å |
| 580 | Y | 90.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | trans | -51 | 140.9 | 171.9 | -78.5 | -74.8 | 0 | 0 | 0 | 112.5 | T582 D606 P607 R705 Y710 R724 | Y580-T582 PolarHBondContact O-N 2.87Å; Y580-D606 PolarHBondContact OH-OD1 2.84Å; Y580-P607 HydrophobicContact CD1-CB 4Å; Y580-P607 HydrophobicContact CD1-CG 3.68Å; Y580-P607 HydrophobicContact CD2-CG 3.8Å; Y580-P607 HydrophobicContact CE1-CB 3.64Å; Y580-P607 HydrophobicContact CE1-CG 3.71Å; Y580-P607 HydrophobicContact CE2-CB 4.4Å; Y580-P607 VanDerWaalsContact CE2-CD 3.46Å; Y580-P607 HydrophobicContact CE2-CG 3.83Å; Y580-P607 HydrophobicContact CG-CG 3.73Å; Y580-R705 VanDerWaalsContact CD2-NH1 3.34Å; Y580-Y710 WeakPolarHBondContact CE1-OH 3.36Å; Y580-R724 PolarHBondContact OH-NH1 2.85Å | ||
| 581 | L | 92.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | trans | -72.9 | 94.8 | 167.6 | -176.4 | 66.1 | 0 | 0 | 0 | 109.2 | M585 E602 M897 I899 | L581-M585 HydrophobicContact CD1-CB 3.71Å; L581-E602 PolarHBondContact N-OE1 2.84Å; L581-M897 HydrophobicContact CD1-CB 4.17Å; L581-M897 HydrophobicContact CD1-CG 4.12Å; L581-M897 HydrophobicContact CD1-SD 3.97Å; L581-M897 HydrophobicContact CD2-CB 4.18Å; L581-I899 HydrophobicContact CB-CG2 4.42Å; L581-I899 HydrophobicContact CD2-CG2 4.35Å | ||
| 582 | T | 91.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | trans | -71.9 | 159.8 | -178.1 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | Y558 Y580 A584 M585 K586 | Y558-T582 HydrophobicContact CD2-CG2 4.18Å; Y580-T582 PolarHBondContact O-N 2.87Å; T582-A584 VanDerWaalsContact C-N 3.27Å; T582-A584 PolarHBondContact O-N 2.82Å; T582-M585 WeakPolarHBondContact O-CB 3.48Å; T582-M585 PolarHBondContact O-N 2.82Å; T582-M585 WeakPolarHBondContact OG1-CG 3.5Å; T582-M585 PolarHBondContact OG1-N 2.81Å; T582-K586 PolarHBondContact O-N 2.92Å | ||
| 583 | P | 92.1 | Very high | 95.4 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 66% | 0.662 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -52.9 | -44.1 | 173 | -28.1 | 36 | 0 | 0 | 0 | 113.1 | M585 K586 E587 | P583-M585 VanDerWaalsContact C-N 3.29Å; P583-M585 PolarHBondContact O-N 2.86Å; P583-K586 WeakPolarHBondContact O-CB 3.43Å; P583-K586 PolarHBondContact O-N 3.44Å; P583-E587 WeakPolarHBondContact O-CG 3.41Å; P583-E587 PolarHBondContact O-N 3.43Å |
| 584 | A | 93.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -31.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P562 T582 | P562-A584 HydrophobicContact CG-CB 4.02Å; T582-A584 VanDerWaalsContact C-N 3.27Å; T582-A584 PolarHBondContact O-N 2.82Å |
| 585 | M | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.4 | -44.4 | 170.1 | -74.9 | -71.6 | -69.8 | 0 | 0 | 110.6 | H561 P562 A565 L575 L581 T582 P583 E587 L588 V599 M897 | H561-M585 VanDerWaalsContact C-SD 3.52Å; H561-M585 HydrophobicContact CB-CE 4.38Å; H561-M585 HydrophobicContact CB-CG 4.32Å; H561-M585 HydrophobicContact CB-SD 3.78Å; P562-M585 HydrophobicContact CG-CG 4.29Å; P562-M585 HydrophobicContact CG-SD 4.25Å; A565-M585 HydrophobicContact CB-CE 3.95Å; A565-M585 HydrophobicContact CB-SD 3.83Å; L575-M585 HydrophobicContact CD2-CE 4.41Å; L581-M585 HydrophobicContact CD1-CB 3.71Å; T582-M585 WeakPolarHBondContact O-CB 3.48Å; T582-M585 PolarHBondContact O-N 2.82Å; T582-M585 WeakPolarHBondContact OG1-CG 3.5Å; T582-M585 PolarHBondContact OG1-N 2.81Å; P583-M585 VanDerWaalsContact C-N 3.29Å; P583-M585 PolarHBondContact O-N 2.86Å; M585-E587 VanDerWaalsContact C-N 3.26Å; M585-E587 PolarHBondContact O-N 2.87Å; M585-L588 WeakPolarHBondContact O-CB 3.49Å; M585-L588 PolarHBondContact O-N 2.9Å; M585-V599 HydrophobicContact CE-CG1 3.95Å; M585-M897 HydrophobicContact CE-CE 4.06Å; M585-M897 HydrophobicContact CE-SD 4.33Å; M585-M897 WeakPolarHBondContact O-CE 3.29Å |
| 586 | K | 93.5 | Very high | 95.1 | Very high | 142 Ų | 142 | 54.5 Ų | 54.5 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.3 | -34.1 | -179.6 | -167.3 | 176.7 | -178.8 | -179.9 | 0 | 112.8 | T582 P583 L588 Q589 | T582-K586 PolarHBondContact O-N 2.92Å; P583-K586 WeakPolarHBondContact O-CB 3.43Å; P583-K586 PolarHBondContact O-N 3.44Å; K586-L588 PolarHBondContact O-N 2.98Å; K586-L588 VanDerWaalsContact O-N 3.15Å; K586-Q589 VanDerWaalsContact O-CB 3.28Å; K586-Q589 WeakPolarHBondContact O-CB 3.23Å; K586-Q589 PolarHBondContact O-N 3.24Å |
| 587 | E | 96.6 | Very high | 95.1 | Very high | 157 Ų | 157 | 54.6 Ų | 54.6 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.8 | 172.6 | -75.3 | 168.8 | -163.5 | 0 | 0 | 113.5 | P583 M585 Q589 | P583-E587 WeakPolarHBondContact O-CG 3.41Å; P583-E587 PolarHBondContact O-N 3.43Å; M585-E587 VanDerWaalsContact C-N 3.26Å; M585-E587 PolarHBondContact O-N 2.87Å; E587-Q589 VanDerWaalsContact C-N 3.33Å |
| 588 | L | 96.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1 | 177.8 | -55.5 | 175.6 | 0 | 0 | 0 | 113.4 | A565 K566 I569 M585 K586 E590 S591 V592 M897 | A565-L588 HydrophobicContact CB-CD1 3.75Å; K566-L588 HydrophobicContact CG-CD1 4.3Å; K566-L588 HydrophobicContact CG-CD2 4.28Å; I569-L588 HydrophobicContact CD1-CB 4.1Å; I569-L588 HydrophobicContact CD1-CD1 4.35Å; M585-L588 WeakPolarHBondContact O-CB 3.49Å; M585-L588 PolarHBondContact O-N 2.9Å; K586-L588 PolarHBondContact O-N 2.98Å; K586-L588 VanDerWaalsContact O-N 3.15Å; L588-E590 PolarHBondContact O-N 2.75Å; L588-S591 WeakPolarHBondContact O-CB 3.5Å; L588-S591 PolarHBondContact O-N 2.82Å; L588-S591 VanDerWaalsContact O-N 3.07Å; L588-V592 HydrophobicContact CB-CG2 4.39Å; L588-V592 WeakPolarHBondContact O-CG2 3.26Å; L588-V592 PolarHBondContact O-N 3.33Å; L588-M897 HydrophobicContact CB-CE 3.84Å |
| 589 | Q | 95.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -48 | -56.6 | -175.3 | 179.1 | 71.8 | 10 | 0 | 0 | 112.8 | K586 E587 S591 V592 E593 | K586-Q589 VanDerWaalsContact O-CB 3.28Å; K586-Q589 WeakPolarHBondContact O-CB 3.23Å; K586-Q589 PolarHBondContact O-N 3.24Å; E587-Q589 VanDerWaalsContact C-N 3.33Å; Q589-S591 PolarHBondContact O-N 2.9Å; Q589-V592 WeakPolarHBondContact O-CB 3.43Å; Q589-V592 PolarHBondContact O-N 3.35Å; Q589-V592 VanDerWaalsContact O-N 3.12Å; Q589-E593 PolarHBondContact NE2-OE1 3.23Å; Q589-E593 WeakPolarHBondContact O-CG 3.48Å; Q589-E593 PolarHBondContact O-N 3.45Å |
| 590 | E | 95.9 | Very high | 95.4 | Very high | 160 Ų | 160 | 52.8 Ų | 52.8 | 75% | 0.748 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.3 | -36.6 | -176.9 | -64.9 | -177.7 | 176.2 | 0 | 0 | 111.6 | L588 A594 | L588-E590 PolarHBondContact O-N 2.75Å; E590-A594 VanDerWaalsContact O-CB 3.25Å; E590-A594 WeakPolarHBondContact O-CB 3.23Å; E590-A594 PolarHBondContact O-N 2.98Å |
| 591 | S | 97.6 | Very high | 95.7 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | L588 Q589 A595 | L588-S591 WeakPolarHBondContact O-CB 3.5Å; L588-S591 PolarHBondContact O-N 2.82Å; L588-S591 VanDerWaalsContact O-N 3.07Å; Q589-S591 PolarHBondContact O-N 2.9Å; S591-A595 WeakPolarHBondContact O-CB 3.38Å; S591-A595 PolarHBondContact O-N 2.72Å |
| 592 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | I569 L588 Q589 A595 G596 I597 V599 M897 | I569-V592 HydrophobicContact CD1-CG2 3.69Å; I569-V592 HydrophobicContact CG1-CG2 3.82Å; L588-V592 HydrophobicContact CB-CG2 4.39Å; L588-V592 WeakPolarHBondContact O-CG2 3.26Å; L588-V592 PolarHBondContact O-N 3.33Å; Q589-V592 WeakPolarHBondContact O-CB 3.43Å; Q589-V592 PolarHBondContact O-N 3.35Å; Q589-V592 VanDerWaalsContact O-N 3.12Å; V592-A595 PolarHBondContact O-N 2.97Å; V592-G596 PolarHBondContact O-N 2.93Å; V592-I597 HydrophobicContact CB-CG1 4.5Å; V592-I597 HydrophobicContact CG1-CD1 4.37Å; V592-I597 HydrophobicContact CG1-CG1 3.76Å; V592-I597 PolarHBondContact O-N 3.39Å; V592-V599 HydrophobicContact CB-CG2 4.48Å; V592-V599 HydrophobicContact CG1-CB 4.21Å; V592-V599 HydrophobicContact CG1-CG2 3.63Å; V592-V599 HydrophobicContact CG2-CG2 3.87Å; V592-M897 HydrophobicContact CG2-CE 3.57Å; V592-M897 HydrophobicContact CG2-SD 4.36Å |
| 593 | E | 95.6 | Very high | 96 | Very high | 100 Ų | 100 | 48 Ų | 48 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 176.4 | -71.7 | 177.6 | 177.5 | 0 | 0 | 111.5 | Q589 A595 G596 | Q589-E593 PolarHBondContact NE2-OE1 3.23Å; Q589-E593 WeakPolarHBondContact O-CG 3.48Å; Q589-E593 PolarHBondContact O-N 3.45Å; E593-A595 VanDerWaalsContact C-N 3.26Å; E593-A595 PolarHBondContact O-N 2.95Å; E593-G596 PolarHBondContact O-N 2.91Å |
| 594 | A | 96.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 74% | 0.736 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E590 G596 | E590-A594 VanDerWaalsContact O-CB 3.25Å; E590-A594 WeakPolarHBondContact O-CB 3.23Å; E590-A594 PolarHBondContact O-N 2.98Å; A594-G596 VanDerWaalsContact C-N 3.26Å; A594-G596 PolarHBondContact O-N 3.06Å |
| 595 | A | 96.5 | Very high | 96.3 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75 | -14.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I569 S591 V592 E593 I597 | I569-A595 HydrophobicContact CG2-CB 4.13Å; S591-A595 WeakPolarHBondContact O-CB 3.38Å; S591-A595 PolarHBondContact O-N 2.72Å; V592-A595 PolarHBondContact O-N 2.97Å; E593-A595 VanDerWaalsContact C-N 3.26Å; E593-A595 PolarHBondContact O-N 2.95Å; A595-I597 VanDerWaalsContact C-N 3.3Å; A595-I597 HydrophobicContact CB-CG1 4.26Å; A595-I597 HydrophobicContact CB-CG2 4.32Å; A595-I597 PolarHBondContact O-N 3.39Å |
| 596 | G | 96.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 20.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V592 E593 A594 K895 | V592-G596 PolarHBondContact O-N 2.93Å; E593-G596 PolarHBondContact O-N 2.91Å; A594-G596 VanDerWaalsContact C-N 3.26Å; A594-G596 PolarHBondContact O-N 3.06Å; G596-K895 WeakPolarHBondContact O-CD 3.27Å; G596-K895 WeakPolarHBondContact O-CE 3.2Å; G596-K895 PolarHBondContact O-NZ 2.88Å |
| 597 | I | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | trans | -100.4 | 163.5 | -177.6 | 67.9 | 172.2 | 0 | 0 | 0 | 111.8 | C568 I569 K572 V573 V592 A595 V599 G896 | C568-I597 HydrophobicContact CB-CD1 4.33Å; I569-I597 HydrophobicContact CG1-CD1 4Å; K572-I597 HydrophobicContact CB-CG2 4.18Å; V573-I597 VanDerWaalsContact O-CD1 3.29Å; V573-I597 WeakPolarHBondContact O-CD1 3.26Å; V592-I597 HydrophobicContact CB-CG1 4.5Å; V592-I597 HydrophobicContact CG1-CD1 4.37Å; V592-I597 HydrophobicContact CG1-CG1 3.76Å; V592-I597 PolarHBondContact O-N 3.39Å; A595-I597 VanDerWaalsContact C-N 3.3Å; A595-I597 HydrophobicContact CB-CG1 4.26Å; A595-I597 HydrophobicContact CB-CG2 4.32Å; A595-I597 PolarHBondContact O-N 3.39Å; I597-V599 HydrophobicContact CD1-CG2 3.98Å; I597-V599 HydrophobicContact CG1-CG2 4.3Å; I597-G896 PolarHBondContact O-N 3.21Å | ||
| 598 | T | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.4 | 173.1 | -48.7 | 0 | 0 | 0 | 0 | 108.8 | N574 L575 V887 I892 A894 V898 | N574-T598 WeakPolarHBondContact CA-O 3.32Å; N574-T598 WeakPolarHBondContact CB-O 3.43Å; N574-T598 PolarHBondContact OD1-N 2.96Å; L575-T598 PolarHBondContact N-O 3.16Å; T598-V887 HydrophobicContact CG2-CG2 4.5Å; T598-I892 HydrophobicContact CG2-CG2 4.27Å; T598-A894 WeakPolarHBondContact CG2-O 3.25Å; T598-A894 PolarHBondContact OG1-O 2.85Å; T598-V898 HydrophobicContact CG2-CG2 4.02Å |
| 599 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 100.5 | 171.8 | 179 | 0 | 0 | 0 | 0 | 108.4 | L575 M585 V592 I597 G896 M897 V898 | L575-V599 HydrophobicContact CB-CB 4.47Å; L575-V599 HydrophobicContact CB-CG1 4.11Å; L575-V599 HydrophobicContact CB-CG2 4.11Å; L575-V599 HydrophobicContact CD2-CG1 3.98Å; L575-V599 HydrophobicContact CG-CG1 4.19Å; L575-V599 CarbonylContact O-C 3.54Å; L575-V599 VanDerWaalsContact O-CA 3.3Å; L575-V599 WeakPolarHBondContact O-CA 3.44Å; M585-V599 HydrophobicContact CE-CG1 3.95Å; V592-V599 HydrophobicContact CB-CG2 4.48Å; V592-V599 HydrophobicContact CG1-CB 4.21Å; V592-V599 HydrophobicContact CG1-CG2 3.63Å; V592-V599 HydrophobicContact CG2-CG2 3.87Å; I597-V599 HydrophobicContact CD1-CG2 3.98Å; I597-V599 HydrophobicContact CG1-CG2 4.3Å; V599-G896 PolarHBondContact N-O 3.38Å; V599-M897 HydrophobicContact CB-CE 4.41Å; V599-M897 HydrophobicContact CB-SD 3.52Å; V599-M897 VanDerWaalsContact CB-SD 3.52Å; V599-M897 HydrophobicContact CG1-CE 4.2Å; V599-M897 HydrophobicContact CG1-SD 3.39Å; V599-M897 WeakPolarHBondContact CG1-SD 3.34Å; V599-M897 HydrophobicContact CG2-SD 4.28Å; V599-M897 CarbonylContact O-C 3.47Å; V599-M897 WeakPolarHBondContact O-CA 3.5Å; V599-V898 PolarHBondContact O-N 3.48Å |
| 600 | I | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.8 | 179.5 | -168.6 | 163.9 | 0 | 0 | 0 | 110.3 | L575 V576 T577 M603 A883 V887 I892 V898 I905 | L575-I600 PolarHBondContact O-N 3.31Å; V576-I600 CarbonylContact C-O 3.46Å; V576-I600 WeakPolarHBondContact CA-O 3.41Å; V576-I600 HydrophobicContact CB-CG2 3.74Å; V576-I600 HydrophobicContact CG1-CG2 3.83Å; V576-I600 HydrophobicContact CG2-CG2 3.27Å; T577-I600 PolarHBondContact N-O 3.28Å; I600-M603 HydrophobicContact CD1-CE 3.55Å; I600-M603 HydrophobicContact CD1-CG 4.06Å; I600-M603 HydrophobicContact CD1-SD 3.56Å; I600-M603 VanDerWaalsContact CD1-SD 3.56Å; I600-M603 HydrophobicContact CG1-CE 3.46Å; I600-M603 VanDerWaalsContact CG1-CE 3.46Å; I600-M603 HydrophobicContact CG1-CG 3.74Å; I600-M603 HydrophobicContact CG1-SD 3.83Å; I600-M603 HydrophobicContact CG2-CG 4.32Å; I600-A883 HydrophobicContact CD1-CB 4.29Å; I600-V887 HydrophobicContact CG2-CG2 4.42Å; I600-I892 HydrophobicContact CD1-CD1 3.9Å; I600-V898 CarbonylContact C-O 3.57Å; I600-V898 WeakPolarHBondContact CA-O 3.31Å; I600-V898 HydrophobicContact CB-CB 4.32Å; I600-V898 HydrophobicContact CD1-CG1 4.21Å; I600-V898 HydrophobicContact CG1-CB 4.3Å; I600-V898 HydrophobicContact CG1-CG1 4.24Å; I600-I905 HydrophobicContact CD1-CG2 4.26Å |
| 601 | S | 96.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | trans | -115.8 | 170.9 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 110 | T577 M603 V898 | T577-S601 CarbonylContact O-C 3.42Å; S601-M603 VanDerWaalsContact C-N 3.33Å; S601-M603 WeakPolarHBondContact O-CE 3.42Å; S601-M603 PolarHBondContact O-N 2.86Å; S601-V898 PolarHBondContact N-O 3.06Å | ||
| 602 | E | 95.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 15.8 Ų | 15.8 | 8% | 0.075 | 11% | 0.105 | C | C | . | . | trans | 63.5 | 36.5 | 175.9 | -56.7 | -174.5 | 174.6 | 0 | 0 | 113.2 | T577 S579 L581 P607 G608 H611 I899 P900 | T577-E602 PolarHBondContact O-N 3.18Å; S579-E602 WeakPolarHBondContact O-CA 3.32Å; S579-E602 WeakPolarHBondContact O-CG 3.3Å; S579-E602 PolarHBondContact O-N 2.98Å; L581-E602 PolarHBondContact N-OE1 2.84Å; E602-P607 CarbonylContact C-O 3.52Å; E602-P607 HydrophobicContact CB-CB 3.85Å; E602-P607 HydrophobicContact CB-CG 3.94Å; E602-P607 HydrophobicContact CG-CB 3.86Å; E602-P607 HydrophobicContact CG-CG 3.69Å; E602-G608 WeakPolarHBondContact O-CA 3.37Å; E602-H611 IonicContact OE2-CD2 3.39Å; E602-H611 PolarHBondContact OE2-CD2 3.35Å; E602-H611 VanDerWaalsContact OE2-CD2 3.3Å; E602-H611 IonicContact OE2-NE2 3.33Å; E602-H611 PolarHBondContact OE2-NE2 2.81Å; E602-H611 VanDerWaalsContact OE2-NE2 3.08Å; E602-I899 HydrophobicContact CB-CG2 4.44Å; E602-I899 HydrophobicContact CG-CG2 4.27Å; E602-P900 WeakPolarHBondContact O-CG 3.42Å | ||
| 603 | M | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -97.4 | 50.7 | 178.1 | -63.9 | -64.8 | 115.2 | 0 | 0 | 113.5 | V576 T577 I600 S601 M612 T880 A883 P900 I909 | V576-M603 HydrophobicContact CG1-CB 4.47Å; V576-M603 HydrophobicContact CG1-CG 4.35Å; T577-M603 PolarHBondContact O-N 2.83Å; I600-M603 HydrophobicContact CD1-CE 3.55Å; I600-M603 HydrophobicContact CD1-CG 4.06Å; I600-M603 HydrophobicContact CD1-SD 3.56Å; I600-M603 VanDerWaalsContact CD1-SD 3.56Å; I600-M603 HydrophobicContact CG1-CE 3.46Å; I600-M603 VanDerWaalsContact CG1-CE 3.46Å; I600-M603 HydrophobicContact CG1-CG 3.74Å; I600-M603 HydrophobicContact CG1-SD 3.83Å; I600-M603 HydrophobicContact CG2-CG 4.32Å; S601-M603 VanDerWaalsContact C-N 3.33Å; S601-M603 WeakPolarHBondContact O-CE 3.42Å; S601-M603 PolarHBondContact O-N 2.86Å; M603-M612 HydrophobicContact CE-CE 4.37Å; M603-M612 HydrophobicContact SD-CE 4.06Å; M603-T880 PolarHBondContact O-N 3.37Å; M603-T880 PolarHBondContact O-OG1 3.49Å; M603-A883 HydrophobicContact CB-CB 4.37Å; M603-A883 HydrophobicContact CG-CB 3.76Å; M603-A883 HydrophobicContact SD-CB 3.54Å; M603-A883 VanDerWaalsContact SD-CB 3.54Å; M603-P900 HydrophobicContact CE-CB 3.35Å; M603-P900 HydrophobicContact CE-CG 3.42Å; M603-P900 VanDerWaalsContact CE-CG 3.42Å; M603-P900 HydrophobicContact SD-CB 4.42Å; M603-I909 HydrophobicContact SD-CD1 3.99Å | ||
| 604 | G | 95.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | -141.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P607 G608 L609 T875 | G604-P607 CarbonylContact C-O 3.58Å; G604-P607 WeakPolarHBondContact CA-O 3.19Å; G604-P607 PolarHBondContact N-O 2.72Å; G604-G608 CarbonylContact O-C 3.48Å; G604-G608 VanDerWaalsContact O-CA 3.27Å; G604-G608 WeakPolarHBondContact O-CA 3.33Å; G604-L609 PolarHBondContact O-N 2.91Å; G604-T875 CarbonylContact C-O 3.49Å |
| 605 | L | 95.3 | Very high | 96 | Very high | 7 Ų | 7 | 7.4 Ų | 7.4 | 4% | 0.037 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -87 | -60.7 | 173.3 | 171.3 | 64.7 | 0 | 0 | 0 | 111.1 | L609 D610 I838 M840 M872 T875 V876 | L605-L609 HydrophobicContact CD1-CB 4.5Å; L605-L609 HydrophobicContact CD1-CD1 4.2Å; L605-L609 PolarHBondContact O-N 3.42Å; L605-D610 PolarHBondContact O-N 3.31Å; L605-D610 VanDerWaalsContact O-N 3.15Å; L605-I838 HydrophobicContact CD1-CG2 3.69Å; L605-I838 HydrophobicContact CD2-CB 4.47Å; L605-I838 HydrophobicContact CD2-CD1 3.52Å; L605-I838 HydrophobicContact CD2-CG1 3.91Å; L605-I838 HydrophobicContact CD2-CG2 3.71Å; L605-I838 HydrophobicContact CG-CG2 4.35Å; L605-M840 HydrophobicContact CD1-CE 3.52Å; L605-M840 HydrophobicContact CG-CE 4.21Å; L605-M872 HydrophobicContact CD2-CE 4Å; L605-M872 HydrophobicContact CD2-SD 4.06Å; L605-T875 HydrophobicContact CD1-CG2 4.49Å; L605-T875 PolarHBondContact N-O 3.29Å; L605-V876 HydrophobicContact CB-CG2 3.91Å |
| 606 | D | 91.3 | Very high | 96 | Very high | 49 Ų | 49 | 8 Ų | 8 | 26% | 0.262 | 5% | 0.049 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 91.2 | -179.8 | 176.1 | -6.5 | 0 | 0 | 0 | 107.5 | Y580 C635 R724 | Y580-D606 PolarHBondContact OH-OD1 2.84Å; D606-C635 HydrophobicContact CB-CB 4.42Å; D606-R724 IonicContact OD1-CZ 3.54Å; D606-R724 IonicContact OD1-NH1 2.76Å; D606-R724 IonicContact OD1-NH2 3.41Å; D606-R724 PolarHBondContact OD1-NH2 2.84Å; D606-R724 IonicContact OD2-NH2 3.8Å; D606-R724 PolarHBondContact OD2-NH2 2.72Å |
| 607 | P | 91.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 6.4 Ų | 6.4 | 3% | 0.032 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | 141.1 | 13.8 | 36.1 | -32.6 | 0 | 0 | 0 | 113.7 | Y580 E602 G604 D610 H611 | Y580-P607 HydrophobicContact CD1-CB 4Å; Y580-P607 HydrophobicContact CD1-CG 3.68Å; Y580-P607 HydrophobicContact CD2-CG 3.8Å; Y580-P607 HydrophobicContact CE1-CB 3.64Å; Y580-P607 HydrophobicContact CE1-CG 3.71Å; Y580-P607 HydrophobicContact CE2-CB 4.4Å; Y580-P607 VanDerWaalsContact CE2-CD 3.46Å; Y580-P607 HydrophobicContact CE2-CG 3.83Å; Y580-P607 HydrophobicContact CG-CG 3.73Å; E602-P607 CarbonylContact C-O 3.52Å; E602-P607 HydrophobicContact CB-CB 3.85Å; E602-P607 HydrophobicContact CB-CG 3.94Å; E602-P607 HydrophobicContact CG-CB 3.86Å; E602-P607 HydrophobicContact CG-CG 3.69Å; G604-P607 CarbonylContact C-O 3.58Å; G604-P607 WeakPolarHBondContact CA-O 3.19Å; G604-P607 PolarHBondContact N-O 2.72Å; P607-D610 WeakPolarHBondContact CA-OD1 3.27Å; P607-H611 VanDerWaalsContact CB-NE2 3.32Å; P607-H611 WeakPolarHBondContact CB-NE2 3.43Å |
| 608 | G | 96 | Very high | 96 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | B | Isolated β-bridge | trans | 156 | -90.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E602 G604 D610 H611 M612 | E602-G608 WeakPolarHBondContact O-CA 3.37Å; G604-G608 CarbonylContact O-C 3.48Å; G604-G608 VanDerWaalsContact O-CA 3.27Å; G604-G608 WeakPolarHBondContact O-CA 3.33Å; G608-D610 PolarHBondContact N-OD1 3.07Å; G608-D610 PolarHBondContact O-N 3.44Å; G608-H611 WeakPolarHBondContact O-CA 3.35Å; G608-H611 WeakPolarHBondContact O-CB 3.35Å; G608-H611 PolarHBondContact O-N 3.46Å; G608-M612 WeakPolarHBondContact O-CG 3.39Å; G608-M612 PolarHBondContact O-N 3.32Å |
| 609 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -54.5 | -35.2 | 178.3 | -72.8 | 174.1 | 0 | 0 | 0 | 112.2 | G604 L605 H611 M612 L613 M840 L860 T875 P879 L910 V913 I918 | G604-L609 PolarHBondContact O-N 2.91Å; L605-L609 HydrophobicContact CD1-CB 4.5Å; L605-L609 HydrophobicContact CD1-CD1 4.2Å; L605-L609 PolarHBondContact O-N 3.42Å; L609-H611 VanDerWaalsContact C-N 3.35Å; L609-H611 PolarHBondContact O-N 3.48Å; L609-M612 HydrophobicContact CD2-SD 4.29Å; L609-M612 PolarHBondContact O-N 2.77Å; L609-L613 WeakPolarHBondContact O-CB 3.36Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.94Å; L609-M840 HydrophobicContact CB-CE 4.49Å; L609-L860 HydrophobicContact CD1-CD1 4.25Å; L609-T875 HydrophobicContact CD1-CG2 4.32Å; L609-P879 HydrophobicContact CD1-CG 4.24Å; L609-P879 HydrophobicContact CD2-CG 4.13Å; L609-P879 HydrophobicContact CG-CG 4.01Å; L609-L910 HydrophobicContact CD2-CD2 4.17Å; L609-V913 HydrophobicContact CD2-CG2 4.16Å; L609-I918 HydrophobicContact CD1-CG2 4.11Å |
| 610 | D | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 173.8 | 74.6 | -55 | 0 | 0 | 0 | 112.4 | L605 P607 G608 A614 R724 M840 | L605-D610 PolarHBondContact O-N 3.31Å; L605-D610 VanDerWaalsContact O-N 3.15Å; P607-D610 WeakPolarHBondContact CA-OD1 3.27Å; G608-D610 PolarHBondContact N-OD1 3.07Å; G608-D610 PolarHBondContact O-N 3.44Å; D610-A614 WeakPolarHBondContact O-CB 3.48Å; D610-A614 PolarHBondContact O-N 2.8Å; D610-A614 VanDerWaalsContact O-N 3.11Å; D610-R724 IonicContact OD2-CZ 2.59Å; D610-R724 IonicContact OD2-NE 3.13Å; D610-R724 PolarHBondContact OD2-NE 3.18Å; D610-R724 IonicContact OD2-NH2 2.69Å; D610-R724 PolarHBondContact OD2-NH2 3.08Å; D610-M840 HydrophobicContact CB-CE 3.7Å; D610-M840 HydrophobicContact CB-SD 3.97Å |
| 611 | H | 93.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 175.3 | -64.8 | -19.6 | 0 | 0 | 0 | 111.5 | E602 P607 G608 L609 A614 K615 Y710 Y714 P900 L901 | E602-H611 IonicContact OE2-CD2 3.39Å; E602-H611 PolarHBondContact OE2-CD2 3.35Å; E602-H611 VanDerWaalsContact OE2-CD2 3.3Å; E602-H611 IonicContact OE2-NE2 3.33Å; E602-H611 PolarHBondContact OE2-NE2 2.81Å; E602-H611 VanDerWaalsContact OE2-NE2 3.08Å; P607-H611 VanDerWaalsContact CB-NE2 3.32Å; P607-H611 WeakPolarHBondContact CB-NE2 3.43Å; G608-H611 WeakPolarHBondContact O-CA 3.35Å; G608-H611 WeakPolarHBondContact O-CB 3.35Å; G608-H611 PolarHBondContact O-N 3.46Å; L609-H611 VanDerWaalsContact C-N 3.35Å; L609-H611 PolarHBondContact O-N 3.48Å; H611-A614 PolarHBondContact O-N 2.91Å; H611-K615 VanDerWaalsContact O-CB 3.29Å; H611-K615 WeakPolarHBondContact O-CB 3.36Å; H611-K615 WeakPolarHBondContact O-CG 3.43Å; H611-K615 PolarHBondContact O-N 2.84Å; H611-Y710 AromaticContact CE1-CE1 3.45Å; H611-Y710 VanDerWaalsContact CE1-CE1 3.45Å; H611-Y710 WeakPolarHBondContact CE1-CE1 3.46Å; H611-Y714 WeakPolarHBondContact CA-OH 3.48Å; H611-Y714 AromaticContact ND1-CE1 3.95Å; H611-Y714 AromaticContact ND1-CZ 3.72Å; H611-Y714 PolarHBondContact ND1-OH 2.92Å; H611-P900 HydrophobicContact CB-CG 4.01Å; H611-L901 HydrophobicContact CB-CD2 3.83Å |
| 612 | M | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | -175.4 | -64.5 | 175.8 | -160.3 | 0 | 0 | 111.4 | M603 G608 L609 K615 E616 P900 I909 L910 | M603-M612 HydrophobicContact CE-CE 4.37Å; M603-M612 HydrophobicContact SD-CE 4.06Å; G608-M612 WeakPolarHBondContact O-CG 3.39Å; G608-M612 PolarHBondContact O-N 3.32Å; L609-M612 HydrophobicContact CD2-SD 4.29Å; L609-M612 PolarHBondContact O-N 2.77Å; M612-K615 PolarHBondContact O-N 2.92Å; M612-E616 WeakPolarHBondContact O-CB 3.36Å; M612-E616 PolarHBondContact O-N 3.37Å; M612-P900 HydrophobicContact CE-CB 3.53Å; M612-P900 HydrophobicContact CE-CG 3.96Å; M612-P900 HydrophobicContact CG-CB 3.77Å; M612-P900 HydrophobicContact CG-CG 4.3Å; M612-P900 HydrophobicContact SD-CB 4.45Å; M612-I909 HydrophobicContact CE-CB 4.47Å; M612-I909 HydrophobicContact CE-CD1 3.96Å; M612-I909 HydrophobicContact CE-CG2 3.88Å; M612-I909 HydrophobicContact SD-CB 4.02Å; M612-I909 HydrophobicContact SD-CG2 3.54Å; M612-I909 VanDerWaalsContact SD-CG2 3.54Å; M612-L910 HydrophobicContact CB-CD1 4.05Å; M612-L910 HydrophobicContact CB-CD2 3.78Å; M612-L910 HydrophobicContact CB-CG 3.87Å |
| 613 | L | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 179.2 | -67.3 | 173.6 | 0 | 0 | 0 | 111.9 | L609 C617 M840 I858 L860 L910 Y920 | L609-L613 WeakPolarHBondContact O-CB 3.36Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.94Å; L613-C617 PolarHBondContact O-N 3Å; L613-M840 HydrophobicContact CD1-SD 3.99Å; L613-I858 HydrophobicContact CB-CG2 4.42Å; L613-I858 HydrophobicContact CD1-CG2 4.34Å; L613-I858 HydrophobicContact CD2-CG2 4.31Å; L613-I858 WeakPolarHBondContact O-CD1 2.9Å; L613-L860 HydrophobicContact CD1-CD1 4.06Å; L613-L910 HydrophobicContact CD2-CD1 4.43Å; L613-L910 HydrophobicContact CD2-CD2 3.73Å; L613-L910 HydrophobicContact CG-CD2 4.15Å; L613-Y920 HydrophobicContact CD2-CD1 3.54Å; L613-Y920 HydrophobicContact CD2-CD2 3.61Å; L613-Y920 HydrophobicContact CD2-CE1 3.43Å; L613-Y920 VanDerWaalsContact CD2-CE1 3.43Å; L613-Y920 HydrophobicContact CD2-CE2 3.48Å; L613-Y920 VanDerWaalsContact CD2-CE2 3.48Å; L613-Y920 HydrophobicContact CD2-CG 3.61Å |
| 614 | A | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D610 H611 C617 I618 Y631 Y714 | D610-A614 WeakPolarHBondContact O-CB 3.48Å; D610-A614 PolarHBondContact O-N 2.8Å; D610-A614 VanDerWaalsContact O-N 3.11Å; H611-A614 PolarHBondContact O-N 2.91Å; A614-C617 PolarHBondContact O-N 3.47Å; A614-I618 HydrophobicContact CB-CD1 4.44Å; A614-I618 WeakPolarHBondContact O-CB 3.28Å; A614-I618 WeakPolarHBondContact O-CD1 3.32Å; A614-I618 WeakPolarHBondContact O-CG1 3.46Å; A614-I618 PolarHBondContact O-N 2.95Å; A614-Y631 HydrophobicContact CB-CE2 3.6Å; A614-Y714 HydrophobicContact CB-CE2 3.96Å |
| 615 | K | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | -178 | -76.8 | -63 | -73.9 | 70.9 | 0 | 113.4 | H611 M612 C617 I618 D619 Y714 L901 Y906 | H611-K615 VanDerWaalsContact O-CB 3.29Å; H611-K615 WeakPolarHBondContact O-CB 3.36Å; H611-K615 WeakPolarHBondContact O-CG 3.43Å; H611-K615 PolarHBondContact O-N 2.84Å; M612-K615 PolarHBondContact O-N 2.92Å; K615-C617 VanDerWaalsContact C-N 3.28Å; K615-C617 PolarHBondContact O-N 2.64Å; K615-I618 PolarHBondContact O-N 3.07Å; K615-D619 IonicContact NZ-OD1 3.95Å; K615-D619 PolarHBondContact NZ-OD1 2.73Å; K615-D619 IonicContact NZ-OD2 2.79Å; K615-D619 PolarHBondContact NZ-OD2 3.4Å; K615-D619 VanDerWaalsContact O-CB 3.32Å; K615-D619 WeakPolarHBondContact O-CB 3.31Å; K615-D619 PolarHBondContact O-N 3.04Å; K615-Y714 HydrophobicContact CD-CD1 3.82Å; K615-Y714 HydrophobicContact CD-CE1 4.47Å; K615-Y714 HydrophobicContact CD-CG 4.14Å; K615-Y714 HydrophobicContact CG-CD1 4.22Å; K615-Y714 HydrophobicContact CG-CE1 4.38Å; K615-L901 HydrophobicContact CD-CD2 4.41Å; K615-L901 WeakPolarHBondContact CE-O 3.29Å; K615-L901 HydrophobicContact CG-CB 4.4Å; K615-L901 HydrophobicContact CG-CD2 3.83Å; K615-L901 PolarHBondContact NZ-O 3.07Å; K615-L901 VanDerWaalsContact NZ-O 3.08Å; K615-Y906 HydrophobicContact CB-CD1 3.97Å; K615-Y906 HydrophobicContact CB-CE1 3.8Å |
| 616 | E | 97.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.5 | -45 | 173.7 | -173.8 | -172.2 | -151.8 | 0 | 0 | 110.8 | M612 K620 Y906 L910 R914 Y920 | M612-E616 WeakPolarHBondContact O-CB 3.36Å; M612-E616 PolarHBondContact O-N 3.37Å; E616-K620 HydrophobicContact CG-CD 4.26Å; E616-K620 WeakPolarHBondContact O-CB 3.31Å; E616-K620 VanDerWaalsContact O-CG 3.26Å; E616-K620 WeakPolarHBondContact O-CG 3.29Å; E616-K620 PolarHBondContact O-N 3.29Å; E616-K620 VanDerWaalsContact O-N 3.16Å; E616-K620 IonicContact OE1-NZ 3.94Å; E616-K620 PolarHBondContact OE1-NZ 3.49Å; E616-K620 IonicContact OE2-NZ 3.34Å; E616-Y906 HydrophobicContact CB-CD2 4.3Å; E616-Y906 HydrophobicContact CB-CE2 3.91Å; E616-Y906 HydrophobicContact CG-CE2 4.29Å; E616-L910 HydrophobicContact CB-CD1 3.99Å; E616-L910 HydrophobicContact CG-CD1 4.43Å; E616-R914 IonicContact OE1-NH2 2.8Å; E616-Y920 PolarHBondContact OE2-OH 2.86Å |
| 617 | C | 96.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.9 | -43.7 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | L613 A614 K615 D619 K620 A621 I844 K856 I858 | L613-C617 PolarHBondContact O-N 3Å; A614-C617 PolarHBondContact O-N 3.47Å; K615-C617 VanDerWaalsContact C-N 3.28Å; K615-C617 PolarHBondContact O-N 2.64Å; C617-D619 VanDerWaalsContact C-N 3.35Å; C617-D619 PolarHBondContact O-N 3.4Å; C617-K620 PolarHBondContact O-N 3.19Å; C617-A621 WeakPolarHBondContact O-CB 3.37Å; C617-A621 PolarHBondContact O-N 3.42Å; C617-I844 HydrophobicContact CB-CD1 3.82Å; C617-K856 WeakPolarHBondContact SG-CD 3.46Å; C617-I858 HydrophobicContact CB-CD1 3.77Å |
| 618 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 179 | -69.8 | 166.7 | 0 | 0 | 0 | 110.7 | A614 K615 A621 K622 I628 Y714 I716 | A614-I618 HydrophobicContact CB-CD1 4.44Å; A614-I618 WeakPolarHBondContact O-CB 3.28Å; A614-I618 WeakPolarHBondContact O-CD1 3.32Å; A614-I618 WeakPolarHBondContact O-CG1 3.46Å; A614-I618 PolarHBondContact O-N 2.95Å; K615-I618 PolarHBondContact O-N 3.07Å; I618-A621 PolarHBondContact O-N 3.44Å; I618-K622 HydrophobicContact CG2-CD 4.18Å; I618-K622 WeakPolarHBondContact O-CG 3.29Å; I618-K622 PolarHBondContact O-N 3.11Å; I618-I628 HydrophobicContact CG1-CG1 4.15Å; I618-I628 HydrophobicContact CG2-CD1 4.03Å; I618-I628 HydrophobicContact CG2-CG1 4.32Å; I618-Y714 HydrophobicContact CD1-CD2 3.93Å; I618-Y714 HydrophobicContact CD1-CG 4.22Å; I618-I716 HydrophobicContact CD1-CD1 4.34Å; I618-I716 HydrophobicContact CD1-CG2 3.9Å; I618-I716 HydrophobicContact CG1-CG2 4.25Å; I618-I716 HydrophobicContact CG2-CG2 3.91Å |
| 619 | D | 97.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 29.8 Ų | 29.8 | 17% | 0.171 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -43.2 | -179.2 | -67.6 | -13.4 | 0 | 0 | 0 | 110.9 | K615 C617 A621 K622 E623 Y906 | K615-D619 IonicContact NZ-OD1 3.95Å; K615-D619 PolarHBondContact NZ-OD1 2.73Å; K615-D619 IonicContact NZ-OD2 2.79Å; K615-D619 PolarHBondContact NZ-OD2 3.4Å; K615-D619 VanDerWaalsContact O-CB 3.32Å; K615-D619 WeakPolarHBondContact O-CB 3.31Å; K615-D619 PolarHBondContact O-N 3.04Å; C617-D619 VanDerWaalsContact C-N 3.35Å; C617-D619 PolarHBondContact O-N 3.4Å; D619-A621 VanDerWaalsContact C-N 3.28Å; D619-A621 PolarHBondContact O-N 3.2Å; D619-K622 PolarHBondContact O-N 2.89Å; D619-E623 WeakPolarHBondContact O-CG 3.39Å; D619-E623 PolarHBondContact O-N 2.75Å; D619-Y906 WeakPolarHBondContact OD2-CE1 3.37Å; D619-Y906 PolarHBondContact OD2-OH 3.48Å |
| 620 | K | 95.7 | Very high | 96.2 | Very high | 94 Ų | 94 | 31 Ų | 31 | 41% | 0.409 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.5 | -37.4 | 173.1 | -74.7 | 174.6 | -174.1 | 169.9 | 0 | 112.5 | E616 C617 E623 | E616-K620 HydrophobicContact CG-CD 4.26Å; E616-K620 WeakPolarHBondContact O-CB 3.31Å; E616-K620 VanDerWaalsContact O-CG 3.26Å; E616-K620 WeakPolarHBondContact O-CG 3.29Å; E616-K620 PolarHBondContact O-N 3.29Å; E616-K620 VanDerWaalsContact O-N 3.16Å; E616-K620 IonicContact OE1-NZ 3.94Å; E616-K620 PolarHBondContact OE1-NZ 3.49Å; E616-K620 IonicContact OE2-NZ 3.34Å; C617-K620 PolarHBondContact O-N 3.19Å; K620-E623 PolarHBondContact O-N 3.37Å |
| 621 | A | 95.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C617 I618 D619 E623 V624 G625 A626 I628 L846 | C617-A621 WeakPolarHBondContact O-CB 3.37Å; C617-A621 PolarHBondContact O-N 3.42Å; I618-A621 PolarHBondContact O-N 3.44Å; D619-A621 VanDerWaalsContact C-N 3.28Å; D619-A621 PolarHBondContact O-N 3.2Å; A621-E623 VanDerWaalsContact C-N 3.33Å; A621-E623 PolarHBondContact O-N 2.87Å; A621-V624 WeakPolarHBondContact O-CG2 3.25Å; A621-V624 PolarHBondContact O-N 3.11Å; A621-G625 PolarHBondContact O-N 2.99Å; A621-A626 HydrophobicContact CB-CB 4.21Å; A621-A626 WeakPolarHBondContact O-CB 3.43Å; A621-A626 PolarHBondContact O-N 3.17Å; A621-I628 HydrophobicContact CB-CD1 4.33Å; A621-L846 HydrophobicContact CB-CD1 3.99Å; A621-L846 HydrophobicContact CB-CD2 3.71Å; A621-L846 HydrophobicContact CB-CG 4.43Å |
| 622 | K | 94.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 32.2 Ų | 32.2 | 39% | 0.391 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 176.5 | -72.1 | 173.3 | 177.7 | 175.5 | 0 | 112.5 | I618 D619 V624 G625 I628 Y714 G715 | I618-K622 HydrophobicContact CG2-CD 4.18Å; I618-K622 WeakPolarHBondContact O-CG 3.29Å; I618-K622 PolarHBondContact O-N 3.11Å; D619-K622 PolarHBondContact O-N 2.89Å; K622-V624 PolarHBondContact O-N 2.92Å; K622-G625 PolarHBondContact O-N 3.01Å; K622-I628 HydrophobicContact CG-CD1 4.31Å; K622-Y714 PolarHBondContact NZ-O 2.61Å; K622-G715 WeakPolarHBondContact CE-O 3.03Å; K622-G715 PolarHBondContact NZ-O 3.06Å |
| 623 | E | 95.5 | Very high | 96.3 | Very high | 125 Ų | 125 | 32.3 Ų | 32.3 | 58% | 0.584 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -58.2 | -29.8 | 174.9 | -75 | 170.7 | -175.2 | 0 | 0 | 112.5 | D619 K620 A621 K903 | D619-E623 WeakPolarHBondContact O-CG 3.39Å; D619-E623 PolarHBondContact O-N 2.75Å; K620-E623 PolarHBondContact O-N 3.37Å; A621-E623 VanDerWaalsContact C-N 3.33Å; A621-E623 PolarHBondContact O-N 2.87Å; E623-K903 IonicContact OE1-NZ 3.19Å; E623-K903 PolarHBondContact OE1-NZ 3.32Å |
| 624 | V | 94.1 | Very high | 96.3 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.2 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | A621 K622 A626 | A621-V624 WeakPolarHBondContact O-CG2 3.25Å; A621-V624 PolarHBondContact O-N 3.11Å; K622-V624 PolarHBondContact O-N 2.92Å; V624-A626 VanDerWaalsContact C-N 3.29Å; V624-A626 HydrophobicContact CG2-CB 4.17Å; V624-A626 PolarHBondContact O-N 3.37Å |
| 625 | G | 94.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 47% | 0.474 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 11.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A621 K622 P849 | A621-G625 PolarHBondContact O-N 2.99Å; K622-G625 PolarHBondContact O-N 3.01Å; G625-P849 WeakPolarHBondContact O-CG 3.5Å |
| 626 | A | 96.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | trans | -76.3 | 147.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A621 V624 R847 | A621-A626 HydrophobicContact CB-CB 4.21Å; A621-A626 WeakPolarHBondContact O-CB 3.43Å; A621-A626 PolarHBondContact O-N 3.17Å; V624-A626 VanDerWaalsContact C-N 3.29Å; V624-A626 HydrophobicContact CG2-CB 4.17Å; V624-A626 PolarHBondContact O-N 3.37Å; A626-R847 CarbonylContact C-O 3.48Å; A626-R847 VanDerWaalsContact CA-O 3.29Å; A626-R847 WeakPolarHBondContact CA-O 3.13Å | ||
| 627 | T | 96.6 | Very high | 96.2 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.2 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | T718 R847 | T627-T718 HydrophobicContact CG2-CG2 3.96Å; T627-T718 VanDerWaalsContact CG2-OG1 3.22Å; T627-T718 WeakPolarHBondContact CG2-OG1 3.48Å; T627-R847 PolarHBondContact N-O 2.91Å; T627-R847 PolarHBondContact O-N 3.15Å |
| 628 | I | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.7 | 179 | -62.9 | 65.7 | 0 | 0 | 0 | 107.9 | I618 A621 K622 I716 T718 A719 I844 L846 | I618-I628 HydrophobicContact CG1-CG1 4.15Å; I618-I628 HydrophobicContact CG2-CD1 4.03Å; I618-I628 HydrophobicContact CG2-CG1 4.32Å; A621-I628 HydrophobicContact CB-CD1 4.33Å; K622-I628 HydrophobicContact CG-CD1 4.31Å; I628-I716 HydrophobicContact CB-CB 4.14Å; I628-I716 HydrophobicContact CB-CG2 3.72Å; I628-I716 HydrophobicContact CD1-CG2 4.24Å; I628-I716 HydrophobicContact CG1-CG2 3.77Å; I628-I716 HydrophobicContact CG2-CB 4.1Å; I628-I716 HydrophobicContact CG2-CG2 3.9Å; I628-T718 CarbonylContact O-C 3.54Å; I628-T718 PolarHBondContact O-OG1 3.42Å; I628-A719 HydrophobicContact CG2-CB 4.42Å; I628-A719 PolarHBondContact O-N 3.19Å; I628-I844 HydrophobicContact CG2-CG2 4.06Å; I628-L846 HydrophobicContact CD1-CD2 4.47Å; I628-L846 HydrophobicContact CG1-CD2 3.97Å |
| 629 | V | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -24.7 | -179.3 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | A719 H720 G845 R847 L853 | V629-A719 CarbonylContact O-C 3.21Å; V629-A719 VanDerWaalsContact O-CA 3.27Å; V629-A719 WeakPolarHBondContact O-CA 3.48Å; V629-H720 PolarHBondContact O-CD2 3.03Å; V629-H720 VanDerWaalsContact O-CD2 3.28Å; V629-H720 PolarHBondContact O-CE1 3.37Å; V629-H720 PolarHBondContact O-N 2.8Å; V629-H720 PolarHBondContact O-ND1 3.49Å; V629-H720 PolarHBondContact O-NE2 3.48Å; V629-G845 WeakPolarHBondContact CG2-O 3.38Å; V629-G845 PolarHBondContact N-O 3.12Å; V629-R847 HydrophobicContact CG1-CB 3.75Å; V629-L853 HydrophobicContact CG2-CD1 3.65Å |
| 630 | S | 97.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 19% | 0.189 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 147.7 | 173.2 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | T721 I844 G845 | S630-T721 CarbonylContact C-O 3.57Å; S630-T721 WeakPolarHBondContact CA-O 3.46Å; S630-I844 WeakPolarHBondContact O-CA 3.19Å; S630-G845 PolarHBondContact N-O 3.29Å; S630-G845 PolarHBondContact O-N 3.28Å; S630-G845 VanDerWaalsContact OG-CA 3.31Å; S630-G845 WeakPolarHBondContact OG-CA 3.11Å; S630-G845 PolarHBondContact OG-N 3.33Å |
| 631 | Y | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 119.5 | 170.8 | 169.7 | -101.1 | 0 | 0 | 0 | 109.3 | A614 S633 Y714 I716 T721 L722 L723 R724 E843 I844 | A614-Y631 HydrophobicContact CB-CE2 3.6Å; Y631-S633 VanDerWaalsContact OH-CB 3.28Å; Y631-S633 WeakPolarHBondContact OH-CB 3.29Å; Y631-Y714 AromaticContact CE1-CE2 3.87Å; Y631-Y714 HydrophobicContact CE1-CE2 3.87Å; Y631-Y714 HydrophobicContact CE2-CE2 4.33Å; Y631-Y714 AromaticContact CZ-CE2 3.76Å; Y631-I716 HydrophobicContact CG-CD1 4.32Å; Y631-T721 PolarHBondContact N-O 2.84Å; Y631-L722 HydrophobicContact CD1-CD2 4.37Å; Y631-L722 VanDerWaalsContact O-CA 3.31Å; Y631-L722 WeakPolarHBondContact O-CA 3.17Å; Y631-L723 PolarHBondContact O-N 2.8Å; Y631-R724 HydrophobicContact CE1-CG 4.06Å; Y631-E843 WeakPolarHBondContact CA-O 3.41Å; Y631-I844 HydrophobicContact CD2-CD1 4.14Å; Y631-I844 HydrophobicContact CD2-CG1 4.03Å; Y631-I844 HydrophobicContact CE2-CD1 4.42Å |
| 632 | T | 96.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.153 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.4 | 172.7 | -59.7 | 0 | 0 | 0 | 0 | 109 | F634 L723 N842 E843 | T632-F634 HydrophobicContact CG2-CD2 3.66Å; T632-F634 HydrophobicContact CG2-CE2 3.49Å; T632-F634 VanDerWaalsContact CG2-CE2 3.49Å; T632-L723 CarbonylContact C-O 3.43Å; T632-L723 VanDerWaalsContact CA-O 3.23Å; T632-L723 WeakPolarHBondContact CA-O 3.24Å; T632-L723 HydrophobicContact CG2-CB 4.28Å; T632-L723 HydrophobicContact CG2-CD2 4.1Å; T632-L723 HydrophobicContact CG2-CG 4.29Å; T632-N842 CarbonylContact O-C 3.32Å; T632-N842 WeakPolarHBondContact O-CA 3.49Å; T632-E843 PolarHBondContact N-O 3.1Å; T632-E843 PolarHBondContact O-N 3.04Å |
| 633 | S | 96.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123.1 | -179 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | Y631 L723 R724 G725 R841 N842 | Y631-S633 VanDerWaalsContact OH-CB 3.28Å; Y631-S633 WeakPolarHBondContact OH-CB 3.29Å; S633-L723 PolarHBondContact N-O 2.97Å; S633-R724 CarbonylContact O-C 3.48Å; S633-R724 VanDerWaalsContact O-CA 3.23Å; S633-R724 WeakPolarHBondContact O-CA 3.01Å; S633-G725 PolarHBondContact O-N 2.87Å; S633-R841 WeakPolarHBondContact CA-O 3.42Å; S633-N842 WeakPolarHBondContact CB-OD1 3.46Å; S633-N842 PolarHBondContact OG-OD1 3Å |
| 634 | F | 97.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.5 | 179.1 | -86.4 | -85.1 | 0 | 0 | 0 | 109.7 | T632 M691 L723 G725 L727 M840 R841 | T632-F634 HydrophobicContact CG2-CD2 3.66Å; T632-F634 HydrophobicContact CG2-CE2 3.49Å; T632-F634 VanDerWaalsContact CG2-CE2 3.49Å; F634-M691 HydrophobicContact CD1-CE 4.04Å; F634-M691 HydrophobicContact CD2-CE 4.29Å; F634-M691 HydrophobicContact CE1-CE 3.5Å; F634-M691 HydrophobicContact CE2-CE 3.78Å; F634-M691 HydrophobicContact CE2-SD 4.48Å; F634-M691 HydrophobicContact CG-CE 4.42Å; F634-M691 HydrophobicContact CZ-CE 3.36Å; F634-L723 HydrophobicContact CE2-CD2 3.94Å; F634-L723 HydrophobicContact CE2-CG 4.35Å; F634-L723 HydrophobicContact CZ-CD2 4Å; F634-L723 HydrophobicContact CZ-CG 4.41Å; F634-G725 WeakPolarHBondContact CA-O 3.44Å; F634-L727 HydrophobicContact CB-CD1 4.02Å; F634-L727 HydrophobicContact CB-CD2 3.83Å; F634-L727 HydrophobicContact CB-CG 3.77Å; F634-L727 HydrophobicContact CD1-CD2 3.95Å; F634-L727 HydrophobicContact CD1-CG 4.3Å; F634-L727 HydrophobicContact CG-CD2 4.16Å; F634-L727 HydrophobicContact CG-CG 4.48Å; F634-M840 CarbonylContact O-C 3.48Å; F634-M840 VanDerWaalsContact O-CA 3.28Å; F634-M840 WeakPolarHBondContact O-CA 3.49Å; F634-R841 PolarHBondContact N-O 3.15Å; F634-R841 PolarHBondContact O-N 3.04Å |
| 635 | C | 96.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.1 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 111 | D606 G725 T726 L727 V839 M840 | D606-C635 HydrophobicContact CB-CB 4.42Å; C635-G725 PolarHBondContact N-O 2.89Å; C635-G725 VanDerWaalsContact N-O 3.16Å; C635-T726 CarbonylContact O-C 3.59Å; C635-T726 WeakPolarHBondContact O-CA 3.36Å; C635-L727 PolarHBondContact O-N 2.78Å; C635-V839 CarbonylContact C-O 3.09Å; C635-V839 WeakPolarHBondContact CA-O 3.44Å; C635-M840 HydrophobicContact CB-CB 4.39Å; C635-M840 HydrophobicContact CB-CE 4.15Å; C635-M840 HydrophobicContact CB-CG 4.26Å |
| 636 | G | 95.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 131.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I838 V839 | G636-I838 WeakPolarHBondContact O-CA 3.37Å; G636-V839 PolarHBondContact N-O 3.32Å; G636-V839 PolarHBondContact O-N 3.17Å |
| 637 | G | 95.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.1 | 160 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y650 M837 I838 | G637-Y650 WeakPolarHBondContact O-CE2 3.42Å; G637-Y650 PolarHBondContact O-OH 2.7Å; G637-Y650 VanDerWaalsContact O-OH 3.1Å; G637-M837 WeakPolarHBondContact CA-O 3.47Å; G637-I838 VanDerWaalsContact CA-CD1 3.47Å |
| 638 | L | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.2 | -169.3 | -56.7 | 175.6 | 0 | 0 | 0 | 109.3 | Y650 L699 Y729 D836 M837 | L638-Y650 HydrophobicContact CD2-CD2 4.11Å; L638-Y650 HydrophobicContact CD2-CE2 3.91Å; L638-L699 HydrophobicContact CD1-CD2 3.74Å; L638-Y729 HydrophobicContact CB-CD2 4.45Å; L638-Y729 HydrophobicContact CB-CE2 3.86Å; L638-Y729 HydrophobicContact CD1-CD2 4.37Å; L638-Y729 HydrophobicContact CD1-CE1 4.49Å; L638-Y729 HydrophobicContact CD1-CE2 4.11Å; L638-Y729 HydrophobicContact CG-CE2 4.44Å; L638-D836 CarbonylContact O-C 3.54Å; L638-D836 VanDerWaalsContact O-CA 3.31Å; L638-D836 WeakPolarHBondContact O-CA 3.31Å; L638-D836 WeakPolarHBondContact O-CB 3.15Å; L638-M837 HydrophobicContact CB-CE 4.45Å; L638-M837 HydrophobicContact CD1-CE 4.23Å; L638-M837 PolarHBondContact N-O 3.1Å; L638-M837 PolarHBondContact O-N 3.12Å |
| 639 | P | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 149.6 | 158.5 | 27 | -31.6 | 0 | 0 | 0 | 109.9 | K651 Y729 F830 | P639-K651 HydrophobicContact CB-CG 4.42Å; P639-Y729 HydrophobicContact CG-CE2 4.15Å; P639-Y729 WeakPolarHBondContact O-CE2 3.37Å; P639-Y729 PolarHBondContact O-OH 3.23Å; P639-F830 HydrophobicContact CB-CE1 4.08Å; P639-F830 HydrophobicContact CB-CZ 4.29Å |
| 640 | A | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -56.1 | 148.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E642 Y643 S644 R835 Y863 | A640-E642 WeakPolarHBondContact CB-OE2 3.46Å; A640-E642 PolarHBondContact O-N 3.21Å; A640-Y643 HydrophobicContact CB-CD2 4.1Å; A640-Y643 PolarHBondContact O-N 2.77Å; A640-S644 PolarHBondContact O-N 3.08Å; A640-R835 HydrophobicContact CB-CB 4.4Å; A640-R835 WeakPolarHBondContact CB-O 3.45Å; A640-R835 PolarHBondContact N-O 2.9Å; A640-Y863 HydrophobicContact CB-CD1 4.03Å; A640-Y863 HydrophobicContact CB-CE1 4.04Å | ||
| 641 | P | 96.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 30 Ų | 30 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -50.9 | -39 | -170.2 | -28.3 | 34.5 | 0 | 0 | 0 | 114.1 | Y643 S644 L697 Y729 M837 | P641-Y643 PolarHBondContact O-N 2.95Å; P641-S644 WeakPolarHBondContact O-CB 3.23Å; P641-S644 PolarHBondContact O-N 2.72Å; P641-S644 PolarHBondContact O-OG 2.96Å; P641-L697 HydrophobicContact CG-CD2 3.55Å; P641-Y729 WeakPolarHBondContact CA-OH 3.47Å; P641-Y729 WeakPolarHBondContact CG-OH 3.4Å; P641-M837 HydrophobicContact CG-CE 4.43Å |
| 642 | E | 95.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 30.5 Ų | 30.5 | 46% | 0.458 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -64.3 | -18.7 | 178.3 | 65.5 | -89.5 | -150.2 | 0 | 0 | 114.5 | A640 R835 | A640-E642 WeakPolarHBondContact CB-OE2 3.46Å; A640-E642 PolarHBondContact O-N 3.21Å; E642-R835 IonicContact OE1-NH2 3.98Å; E642-R835 PolarHBondContact OE1-NH2 3.09Å; E642-R835 VanDerWaalsContact OE1-NH2 3.11Å |
| 643 | Y | 96.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 30.2 Ų | 30.2 | 27% | 0.267 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -111.8 | 15.1 | 179.5 | -55.6 | -62.9 | 0 | 0 | 0 | 113.2 | A640 P641 D645 K651 E834 R835 | A640-Y643 HydrophobicContact CB-CD2 4.1Å; A640-Y643 PolarHBondContact O-N 2.77Å; P641-Y643 PolarHBondContact O-N 2.95Å; Y643-D645 VanDerWaalsContact C-N 3.33Å; Y643-K651 WeakPolarHBondContact O-CE 3.21Å; Y643-E834 HydrophobicContact CD1-CB 4.07Å; Y643-E834 HydrophobicContact CD1-CG 3.65Å; Y643-E834 WeakPolarHBondContact CD1-OE1 3.39Å; Y643-E834 HydrophobicContact CD2-CB 4.09Å; Y643-E834 HydrophobicContact CE1-CB 4.22Å; Y643-E834 HydrophobicContact CE1-CG 3.75Å; Y643-E834 HydrophobicContact CE2-CB 4.25Å; Y643-E834 HydrophobicContact CG-CB 4.02Å; Y643-E834 HydrophobicContact CG-CG 4.09Å; Y643-R835 HydrophobicContact CE2-CB 4.4Å |
| 644 | S | 96.2 | Very high | 93.6 | Very high | 26 Ų | 26 | 34.5 Ų | 34.5 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | trans | -86.8 | 3.5 | 179.4 | 70.5 | 0 | 0 | 0 | 0 | 114 | A640 P641 N646 R649 | A640-S644 PolarHBondContact O-N 3.08Å; P641-S644 WeakPolarHBondContact O-CB 3.23Å; P641-S644 PolarHBondContact O-N 2.72Å; P641-S644 PolarHBondContact O-OG 2.96Å; S644-N646 VanDerWaalsContact C-N 3.33Å; S644-N646 PolarHBondContact O-N 2.9Å; S644-R649 VanDerWaalsContact O-CA 3.23Å; S644-R649 WeakPolarHBondContact O-CA 3.38Å; S644-R649 WeakPolarHBondContact O-CG 3.29Å | ||
| 645 | D | 95.2 | Very high | 92.8 | Very high | 162 Ų | 162 | 36.7 Ų | 36.7 | 87% | 0.866 | 19% | 0.188 | S | C | * | . | trans | -78 | 78.1 | -176.5 | -169.3 | 25.4 | 0 | 0 | 0 | 112.9 | Y643 | Y643-D645 VanDerWaalsContact C-N 3.33Š| ||
| 646 | N | 95.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -153.4 | 167.4 | 168.5 | 67.3 | 70.9 | 0 | 0 | 0 | 110.2 | S644 L648 R649 Y650 W801 L828 | S644-N646 VanDerWaalsContact C-N 3.33Å; S644-N646 PolarHBondContact O-N 2.9Å; N646-L648 PolarHBondContact O-N 3.19Å; N646-L648 WeakPolarHBondContact OD1-CA 3.39Å; N646-L648 WeakPolarHBondContact OD1-CB 3.38Å; N646-L648 PolarHBondContact OD1-N 2.86Å; N646-R649 PolarHBondContact O-N 3.4Å; N646-R649 PolarHBondContact OD1-N 2.91Å; N646-Y650 PolarHBondContact ND2-N 3.42Å; N646-Y650 PolarHBondContact ND2-O 2.7Å; N646-Y650 PolarHBondContact OD1-N 2.85Å; N646-Y650 PolarHBondContact OD1-O 2.77Å; N646-W801 HydrophobicContact CB-CH2 4.29Å; N646-W801 HydrophobicContact CB-CZ2 4.41Å; N646-L828 HydrophobicContact CB-CD2 3.98Å |
| 647 | P | 94.4 | Very high | 92 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.7 | -174.6 | -24.6 | 33.3 | 0 | 0 | 0 | 115.2 | R649 T735 A798 W801 | P647-R649 PolarHBondContact O-NH1 2.86Å; P647-T735 PolarHBondContact O-OG1 3Å; P647-T735 VanDerWaalsContact O-OG1 3.14Å; P647-A798 HydrophobicContact CB-CB 3.54Å; P647-A798 HydrophobicContact CG-CB 4.47Å; P647-W801 HydrophobicContact CG-CB 3.75Å; P647-W801 HydrophobicContact CG-CD2 3.59Å; P647-W801 HydrophobicContact CG-CE3 3.81Å; P647-W801 HydrophobicContact CG-CG 3.55Å |
| 648 | L | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -12.9 | 175.5 | -81 | 169.8 | 0 | 0 | 0 | 113.3 | N646 Y650 Y732 T735 M736 F739 M824 L828 | N646-L648 PolarHBondContact O-N 3.19Å; N646-L648 WeakPolarHBondContact OD1-CA 3.39Å; N646-L648 WeakPolarHBondContact OD1-CB 3.38Å; N646-L648 PolarHBondContact OD1-N 2.86Å; L648-Y650 PolarHBondContact O-N 2.82Å; L648-Y732 HydrophobicContact CB-CD2 4.5Å; L648-Y732 HydrophobicContact CD2-CD2 4.05Å; L648-Y732 HydrophobicContact CD2-CE2 4.24Å; L648-Y732 WeakPolarHBondContact O-CD2 3.38Å; L648-T735 HydrophobicContact CD2-CG2 3.52Å; L648-T735 HydrophobicContact CG-CG2 4.05Å; L648-M736 HydrophobicContact CD1-CE 4.14Å; L648-M736 HydrophobicContact CD2-CE 3.59Å; L648-M736 HydrophobicContact CD2-CG 4.31Å; L648-M736 HydrophobicContact CD2-SD 4.27Å; L648-F739 HydrophobicContact CD1-CE2 4.34Å; L648-F739 HydrophobicContact CD2-CE2 4.15Å; L648-M824 HydrophobicContact CD1-CE 3.79Å; L648-M824 HydrophobicContact CD1-SD 4.28Å; L648-L828 HydrophobicContact CD1-CD1 3.61Å |
| 649 | R | 96.8 | Very high | 91.1 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 49.1 | 38.2 | -166.1 | -60.7 | 88.2 | -179.1 | 149.5 | 4.3 | 111.9 | S644 N646 P647 Y729 | S644-R649 VanDerWaalsContact O-CA 3.23Å; S644-R649 WeakPolarHBondContact O-CA 3.38Å; S644-R649 WeakPolarHBondContact O-CG 3.29Å; N646-R649 PolarHBondContact O-N 3.4Å; N646-R649 PolarHBondContact OD1-N 2.91Å; P647-R649 PolarHBondContact O-NH1 2.86Å; R649-Y729 HydrophobicContact CB-CD2 4.21Å; R649-Y729 HydrophobicContact CB-CG 4.34Å; R649-Y729 WeakPolarHBondContact O-CD2 3.4Å |
| 650 | Y | 96.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | trans | -146.2 | 153.1 | -172.1 | -157.1 | -99.3 | 0 | 0 | 0 | 111 | G637 L638 N646 L648 F652 R728 Y732 | G637-Y650 WeakPolarHBondContact O-CE2 3.42Å; G637-Y650 PolarHBondContact O-OH 2.7Å; G637-Y650 VanDerWaalsContact O-OH 3.1Å; L638-Y650 HydrophobicContact CD2-CD2 4.11Å; L638-Y650 HydrophobicContact CD2-CE2 3.91Å; N646-Y650 PolarHBondContact ND2-N 3.42Å; N646-Y650 PolarHBondContact ND2-O 2.7Å; N646-Y650 PolarHBondContact OD1-N 2.85Å; N646-Y650 PolarHBondContact OD1-O 2.77Å; L648-Y650 PolarHBondContact O-N 2.82Å; Y650-F652 HydrophobicContact CD1-CD1 4.03Å; Y650-F652 AromaticContact CD1-CE1 3.72Å; Y650-F652 HydrophobicContact CD1-CE1 3.72Å; Y650-F652 HydrophobicContact CD1-CE2 4.28Å; Y650-F652 HydrophobicContact CD1-CG 4.43Å; Y650-F652 AromaticContact CD1-CZ 3.86Å; Y650-F652 HydrophobicContact CD1-CZ 3.86Å; Y650-F652 AromaticContact CE1-CD1 3.7Å; Y650-F652 HydrophobicContact CE1-CD1 3.7Å; Y650-F652 AromaticContact CE1-CE1 3.59Å; Y650-F652 HydrophobicContact CE1-CE1 3.59Å; Y650-F652 HydrophobicContact CE1-CG 4.4Å; Y650-F652 HydrophobicContact CE1-CZ 4.22Å; Y650-R728 VanDerWaalsContact CE2-CZ 3.46Å; Y650-R728 VanDerWaalsContact CE2-NE 3.31Å; Y650-R728 PolarHBondContact OH-NH2 2.82Å; Y650-Y732 HydrophobicContact CD2-CD2 4.46Å; Y650-Y732 HydrophobicContact CD2-CE2 4.37Å; Y650-Y732 HydrophobicContact CG-CD2 4.34Å; Y650-Y732 HydrophobicContact CG-CE2 4.11Å | ||
| 651 | K | 94.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | trans | -139.6 | 150.7 | 174.4 | -68.4 | -170.3 | 173.2 | -163.5 | 0 | 108.9 | P639 Y643 L828 F830 E834 | P639-K651 HydrophobicContact CB-CG 4.42Å; Y643-K651 WeakPolarHBondContact O-CE 3.21Å; K651-L828 WeakPolarHBondContact CA-O 3.08Å; K651-F830 HydrophobicContact CB-CD1 4.3Å; K651-F830 HydrophobicContact CB-CD2 3.9Å; K651-F830 HydrophobicContact CB-CE1 3.99Å; K651-F830 HydrophobicContact CB-CE2 3.56Å; K651-F830 HydrophobicContact CB-CG 4.26Å; K651-F830 HydrophobicContact CB-CZ 3.61Å; K651-F830 HydrophobicContact CD-CD1 4.08Å; K651-F830 HydrophobicContact CD-CE1 4.21Å; K651-F830 HydrophobicContact CD-CG 4.44Å; K651-E834 IonicContact NZ-OE1 3.3Å; K651-E834 PolarHBondContact NZ-OE1 3.44Å; K651-E834 IonicContact NZ-OE2 3.45Å; K651-E834 PolarHBondContact NZ-OE2 3.2Å | ||
| 652 | F | 87.9 | Confident | 90.1 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 124.7 | -173.6 | -63.9 | -80 | 0 | 0 | 0 | 110.9 | Y650 P656 V659 M824 L828 | Y650-F652 HydrophobicContact CD1-CD1 4.03Å; Y650-F652 AromaticContact CD1-CE1 3.72Å; Y650-F652 HydrophobicContact CD1-CE1 3.72Å; Y650-F652 HydrophobicContact CD1-CE2 4.28Å; Y650-F652 HydrophobicContact CD1-CG 4.43Å; Y650-F652 AromaticContact CD1-CZ 3.86Å; Y650-F652 HydrophobicContact CD1-CZ 3.86Å; Y650-F652 AromaticContact CE1-CD1 3.7Å; Y650-F652 HydrophobicContact CE1-CD1 3.7Å; Y650-F652 AromaticContact CE1-CE1 3.59Å; Y650-F652 HydrophobicContact CE1-CE1 3.59Å; Y650-F652 HydrophobicContact CE1-CG 4.4Å; Y650-F652 HydrophobicContact CE1-CZ 4.22Å; F652-P656 HydrophobicContact CB-CG 4.08Å; F652-P656 HydrophobicContact CD1-CB 3.69Å; F652-P656 HydrophobicContact CD1-CG 3.65Å; F652-P656 HydrophobicContact CD2-CB 4.31Å; F652-P656 HydrophobicContact CD2-CG 3.82Å; F652-P656 HydrophobicContact CE1-CB 3.52Å; F652-P656 HydrophobicContact CE1-CG 3.97Å; F652-P656 HydrophobicContact CE2-CB 4.17Å; F652-P656 HydrophobicContact CE2-CG 4.13Å; F652-P656 HydrophobicContact CG-CB 4.1Å; F652-P656 HydrophobicContact CG-CG 3.58Å; F652-P656 HydrophobicContact CZ-CB 3.77Å; F652-P656 HydrophobicContact CZ-CG 4.2Å; F652-V659 HydrophobicContact CE1-CB 4.36Å; F652-V659 HydrophobicContact CE1-CG1 4.34Å; F652-M824 HydrophobicContact CD2-CB 4.32Å; F652-M824 HydrophobicContact CE2-CB 3.9Å; F652-M824 HydrophobicContact CE2-CG 4.48Å; F652-M824 HydrophobicContact CE2-SD 4.07Å; F652-M824 HydrophobicContact CZ-SD 4.14Å; F652-L828 HydrophobicContact CD2-CB 3.94Å; F652-L828 HydrophobicContact CE2-CB 4.29Å; F652-L828 HydrophobicContact CE2-CD1 4.01Å; F652-L828 PolarHBondContact N-O 3.49Å |
| 653 | S | 73.5 | Confident | 89.8 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -107.4 | 8 | 169.8 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | Y491 | Y491-S653 WeakPolarHBondContact CD2-O 3.15Š|
| 654 | W | 74.5 | Confident | 89.5 | Confident | 92 Ų | 92 | 36.3 Ų | 36.3 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -156 | 173.8 | 171.8 | 63.5 | 90.2 | 0 | 0 | 0 | 109.4 | P656 V659 M872 | W654-P656 WeakPolarHBondContact O-CD 3.25Å; W654-V659 HydrophobicContact CZ2-CG2 4.06Å; W654-M872 HydrophobicContact CE3-CG 4.04Å; W654-M872 HydrophobicContact CH2-CE 3.49Å; W654-M872 VanDerWaalsContact CH2-CE 3.49Å; W654-M872 HydrophobicContact CZ2-CE 4.47Å; W654-M872 HydrophobicContact CZ3-CB 4.33Å; W654-M872 HydrophobicContact CZ3-CE 3.56Å; W654-M872 HydrophobicContact CZ3-CG 3.65Å; W654-M872 HydrophobicContact CZ3-SD 4.23Å |
| 655 | S | 79.4 | Confident | 89.2 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 43% | 0.427 | 21% | 0.21 | S | C | . | . | trans | -52.1 | 124.1 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | Q657 | S655-Q657 PolarHBondContact O-N 2.86Š| ||
| 656 | P | 87.3 | Confident | 89 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.9 | -177.5 | -26.1 | 36.4 | 0 | 0 | 0 | 114.8 | F652 W654 G658 V659 L660 A821 M824 E825 | F652-P656 HydrophobicContact CB-CG 4.08Å; F652-P656 HydrophobicContact CD1-CB 3.69Å; F652-P656 HydrophobicContact CD1-CG 3.65Å; F652-P656 HydrophobicContact CD2-CB 4.31Å; F652-P656 HydrophobicContact CD2-CG 3.82Å; F652-P656 HydrophobicContact CE1-CB 3.52Å; F652-P656 HydrophobicContact CE1-CG 3.97Å; F652-P656 HydrophobicContact CE2-CB 4.17Å; F652-P656 HydrophobicContact CE2-CG 4.13Å; F652-P656 HydrophobicContact CG-CB 4.1Å; F652-P656 HydrophobicContact CG-CG 3.58Å; F652-P656 HydrophobicContact CZ-CB 3.77Å; F652-P656 HydrophobicContact CZ-CG 4.2Å; W654-P656 WeakPolarHBondContact O-CD 3.25Å; P656-G658 PolarHBondContact O-N 2.77Å; P656-V659 WeakPolarHBondContact O-CA 3.41Å; P656-V659 WeakPolarHBondContact O-CB 3.46Å; P656-V659 PolarHBondContact O-N 3.45Å; P656-L660 HydrophobicContact CB-CD1 4.12Å; P656-L660 HydrophobicContact CB-CG 4.39Å; P656-L660 WeakPolarHBondContact O-CG 3.37Å; P656-L660 PolarHBondContact O-N 2.96Å; P656-A821 HydrophobicContact CB-CB 4.08Å; P656-A821 WeakPolarHBondContact CG-O 3.32Å; P656-M824 HydrophobicContact CB-CB 4.43Å; P656-M824 HydrophobicContact CG-CB 4.15Å; P656-E825 HydrophobicContact CG-CB 4.29Å |
| 657 | Q | 88.2 | Confident | 89 | Confident | 77 Ų | 77 | 33.6 Ų | 33.6 | 36% | 0.36 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.6 | -44.6 | -166 | -173.6 | 175.8 | -6.4 | 0 | 0 | 113.2 | S655 V659 L660 L661 A821 | S655-Q657 PolarHBondContact O-N 2.86Å; Q657-V659 VanDerWaalsContact C-N 3.32Å; Q657-V659 PolarHBondContact O-N 3Å; Q657-L660 PolarHBondContact O-N 3.19Å; Q657-L661 HydrophobicContact CG-CD1 4.03Å; Q657-L661 WeakPolarHBondContact O-CB 3.1Å; Q657-L661 WeakPolarHBondContact O-CG 3.09Å; Q657-L661 PolarHBondContact O-N 3.11Å; Q657-A821 HydrophobicContact CB-CB 3.78Å |
| 658 | G | 84.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 55% | 0.546 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P656 N662 | P656-G658 PolarHBondContact O-N 2.77Å; G658-N662 WeakPolarHBondContact O-CB 3.31Å; G658-N662 PolarHBondContact O-N 3.33Å; G658-N662 VanDerWaalsContact O-N 3.1Å |
| 659 | V | 88.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 178 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | F652 W654 P656 Q657 N662 Y732 | F652-V659 HydrophobicContact CE1-CB 4.36Å; F652-V659 HydrophobicContact CE1-CG1 4.34Å; W654-V659 HydrophobicContact CZ2-CG2 4.06Å; P656-V659 WeakPolarHBondContact O-CA 3.41Å; P656-V659 WeakPolarHBondContact O-CB 3.46Å; P656-V659 PolarHBondContact O-N 3.45Å; Q657-V659 VanDerWaalsContact C-N 3.32Å; Q657-V659 PolarHBondContact O-N 3Å; V659-N662 PolarHBondContact O-N 2.85Å; V659-Y732 VanDerWaalsContact CG1-OH 3.26Å; V659-Y732 WeakPolarHBondContact CG1-OH 3.2Å |
| 660 | L | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -49.8 | 176.2 | -67 | 172.9 | 0 | 0 | 0 | 111.4 | P656 Q657 N662 T663 M736 I745 V817 L820 A821 M824 | P656-L660 HydrophobicContact CB-CD1 4.12Å; P656-L660 HydrophobicContact CB-CG 4.39Å; P656-L660 WeakPolarHBondContact O-CG 3.37Å; P656-L660 PolarHBondContact O-N 2.96Å; Q657-L660 PolarHBondContact O-N 3.19Å; L660-N662 VanDerWaalsContact C-N 3.26Å; L660-N662 PolarHBondContact O-N 2.9Å; L660-T663 WeakPolarHBondContact O-CB 3.18Å; L660-T663 PolarHBondContact O-N 3.01Å; L660-T663 VanDerWaalsContact O-N 3.13Å; L660-T663 PolarHBondContact O-OG1 2.94Å; L660-M736 HydrophobicContact CD2-CE 3.42Å; L660-M736 VanDerWaalsContact CD2-CE 3.42Å; L660-M736 HydrophobicContact CD2-SD 3.71Å; L660-I745 HydrophobicContact CB-CD1 4.27Å; L660-I745 HydrophobicContact CD2-CD1 4.06Å; L660-V817 HydrophobicContact CB-CG2 3.88Å; L660-V817 HydrophobicContact CD1-CG2 4.19Å; L660-L820 HydrophobicContact CD1-CD2 4.16Å; L660-L820 HydrophobicContact CD1-CG 4.34Å; L660-A821 HydrophobicContact CD1-CB 3.99Å; L660-M824 HydrophobicContact CD1-SD 4.07Å; L660-M824 HydrophobicContact CD2-CE 4.24Å; L660-M824 HydrophobicContact CD2-SD 3.8Å; L660-M824 HydrophobicContact CG-SD 4.43Å |
| 661 | L | 90.1 | Very high | 89.1 | Confident | 39 Ų | 39 | 37 Ų | 37 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -33.3 | 179.7 | -73.1 | 172.9 | 0 | 0 | 0 | 112.8 | Q657 T663 V664 Q665 P747 V817 | Q657-L661 HydrophobicContact CG-CD1 4.03Å; Q657-L661 WeakPolarHBondContact O-CB 3.1Å; Q657-L661 WeakPolarHBondContact O-CG 3.09Å; Q657-L661 PolarHBondContact O-N 3.11Å; L661-T663 PolarHBondContact O-N 3.42Å; L661-T663 VanDerWaalsContact O-N 3.16Å; L661-V664 WeakPolarHBondContact O-CG2 3.15Å; L661-V664 PolarHBondContact O-N 3.19Å; L661-V664 VanDerWaalsContact O-N 3.13Å; L661-Q665 WeakPolarHBondContact O-CG 3.45Å; L661-Q665 PolarHBondContact O-N 3.04Å; L661-P747 HydrophobicContact CD2-CB 3.96Å; L661-P747 HydrophobicContact CD2-CG 4.36Å; L661-V817 HydrophobicContact CD2-CG1 4Å; L661-V817 HydrophobicContact CD2-CG2 4.23Å; L661-V817 HydrophobicContact CG-CG2 4.38Å |
| 662 | N | 88.3 | Confident | 89.1 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -25.6 | 178.4 | -163.8 | 52.9 | 0 | 0 | 0 | 112.8 | G658 V659 L660 V664 Q665 L684 N704 | G658-N662 WeakPolarHBondContact O-CB 3.31Å; G658-N662 PolarHBondContact O-N 3.33Å; G658-N662 VanDerWaalsContact O-N 3.1Å; V659-N662 PolarHBondContact O-N 2.85Å; L660-N662 VanDerWaalsContact C-N 3.26Å; L660-N662 PolarHBondContact O-N 2.9Å; N662-V664 PolarHBondContact O-N 2.89Å; N662-Q665 PolarHBondContact O-N 2.65Å; N662-L684 VanDerWaalsContact O-CD2 3.3Å; N662-L684 WeakPolarHBondContact O-CD2 3.49Å; N662-N704 PolarHBondContact ND2-OD1 3.32Å |
| 663 | T | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.6 | 179.1 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | L660 L661 L685 Y732 M736 | L660-T663 WeakPolarHBondContact O-CB 3.18Å; L660-T663 PolarHBondContact O-N 3.01Å; L660-T663 VanDerWaalsContact O-N 3.13Å; L660-T663 PolarHBondContact O-OG1 2.94Å; L661-T663 PolarHBondContact O-N 3.42Å; L661-T663 VanDerWaalsContact O-N 3.16Å; T663-L685 HydrophobicContact CG2-CD2 4.37Å; T663-Y732 HydrophobicContact CG2-CE1 4.43Å; T663-M736 HydrophobicContact CG2-CB 4.16Å; T663-M736 HydrophobicContact CG2-CG 4.06Å; T663-M736 HydrophobicContact CG2-SD 4.49Å |
| 664 | V | 90.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 0.9 | 179.5 | -64.1 | 0 | 0 | 0 | 0 | 113 | L661 N662 A680 G681 V740 I745 | L661-V664 WeakPolarHBondContact O-CG2 3.15Å; L661-V664 PolarHBondContact O-N 3.19Å; L661-V664 VanDerWaalsContact O-N 3.13Å; N662-V664 PolarHBondContact O-N 2.89Å; V664-A680 CarbonylContact O-C 3.49Å; V664-A680 VanDerWaalsContact O-CA 3.32Å; V664-A680 WeakPolarHBondContact O-CA 3.36Å; V664-A680 WeakPolarHBondContact O-CB 3.33Å; V664-G681 PolarHBondContact O-N 2.81Å; V664-V740 HydrophobicContact CG1-CG1 4.31Å; V664-V740 HydrophobicContact CG1-CG2 3.56Å; V664-I745 HydrophobicContact CB-CG2 4.39Å; V664-I745 HydrophobicContact CG1-CB 4.07Å; V664-I745 HydrophobicContact CG1-CG2 3.67Å; V664-I745 HydrophobicContact CG2-CG2 3.77Å |
| 665 | Q | 89.1 | Confident | 91.5 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -73.6 | 160.5 | 174.2 | -65.1 | -55.3 | -53.2 | 0 | 0 | 111.4 | L661 N662 | L661-Q665 WeakPolarHBondContact O-CG 3.45Å; L661-Q665 PolarHBondContact O-N 3.04Å; N662-Q665 PolarHBondContact O-N 2.65Å |
| 666 | S | 92.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | trans | -72.1 | 158.7 | 169.2 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | I678 | S666-I678 VanDerWaalsContact CA-O 3.23Å; S666-I678 WeakPolarHBondContact CA-O 3.07Å; S666-I678 WeakPolarHBondContact CB-O 3.44Å | ||
| 667 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T677 I678 L684 P703 R705 | A667-T677 CarbonylContact O-C 3.48Å; A667-T677 WeakPolarHBondContact O-CA 3.48Å; A667-I678 HydrophobicContact CB-CD1 4.44Å; A667-I678 PolarHBondContact N-O 2.9Å; A667-I678 VanDerWaalsContact N-O 3.08Å; A667-I678 PolarHBondContact O-N 2.86Å; A667-L684 HydrophobicContact CB-CD1 3.66Å; A667-P703 HydrophobicContact CB-CB 3.84Å; A667-R705 CarbonylContact C-O 3.48Å; A667-R705 WeakPolarHBondContact CA-O 3.35Å |
| 668 | T | 96.4 | Very high | 93 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.7 | 178.7 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | I675 V676 R705 D706 S707 T708 | T668-I675 HydrophobicContact CG2-CG2 3.67Å; T668-V676 CarbonylContact C-O 3.47Å; T668-V676 VanDerWaalsContact CA-O 3.31Å; T668-V676 WeakPolarHBondContact CA-O 3.29Å; T668-R705 PolarHBondContact N-O 2.72Å; T668-D706 CarbonylContact O-C 3.57Å; T668-D706 WeakPolarHBondContact O-CA 3.36Å; T668-S707 PolarHBondContact O-N 3.15Å; T668-T708 HydrophobicContact CG2-CG2 4.04Å |
| 669 | Y | 96.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 54 Ų | 54 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 164.1 | -179.5 | 62.5 | -88.9 | 0 | 0 | 0 | 111.3 | K671 V676 I678 P703 L722 L723 | Y669-K671 HydrophobicContact CD2-CB 4.12Å; Y669-K671 HydrophobicContact CE2-CB 3.88Å; Y669-K671 HydrophobicContact CE2-CD 4.08Å; Y669-V676 HydrophobicContact CD1-CB 4.32Å; Y669-V676 HydrophobicContact CD2-CB 4.19Å; Y669-V676 HydrophobicContact CD2-CG2 4.49Å; Y669-V676 HydrophobicContact CE1-CB 3.93Å; Y669-V676 HydrophobicContact CE1-CG1 3.77Å; Y669-V676 HydrophobicContact CE2-CB 3.78Å; Y669-V676 HydrophobicContact CE2-CG1 4.18Å; Y669-V676 HydrophobicContact CE2-CG2 3.94Å; Y669-V676 HydrophobicContact CG-CB 4.45Å; Y669-V676 PolarHBondContact N-O 2.83Å; Y669-V676 PolarHBondContact O-N 3.17Å; Y669-V676 WeakPolarHBondContact OH-CG1 3.46Å; Y669-I678 HydrophobicContact CE1-CD1 4.07Å; Y669-P703 HydrophobicContact CD1-CB 3.87Å; Y669-P703 HydrophobicContact CD1-CG 3.98Å; Y669-P703 HydrophobicContact CE1-CB 4.01Å; Y669-P703 HydrophobicContact CE1-CG 3.6Å; Y669-L722 WeakPolarHBondContact CB-O 3.26Å; Y669-L723 HydrophobicContact CD1-CD1 4.02Å; Y669-L723 HydrophobicContact CD2-CD1 3.91Å; Y669-L723 HydrophobicContact CE2-CD1 4.45Å; Y669-L723 HydrophobicContact CG-CD1 3.66Å |
| 670 | L | 97.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.1 | 176.8 | -172.6 | 73.3 | 0 | 0 | 0 | 109 | I675 A719 H720 T721 L722 | L670-I675 HydrophobicContact CD1-CG1 4.16Å; L670-A719 WeakPolarHBondContact CD2-O 3.47Å; L670-H720 WeakPolarHBondContact CG-O 3.12Å; L670-T721 CarbonylContact O-C 3.53Å; L670-T721 WeakPolarHBondContact O-CA 3.42Å; L670-L722 HydrophobicContact CB-CB 3.99Å; L670-L722 HydrophobicContact CB-CG 4.47Å; L670-L722 HydrophobicContact CD2-CD1 4.28Å; L670-L722 HydrophobicContact CD2-CG 4.26Å; L670-L722 PolarHBondContact N-O 2.81Å; L670-L722 PolarHBondContact O-N 2.88Å |
| 671 | K | 96 | Very high | 92.7 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 47% | 0.47 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.4 | 175.4 | -174.2 | 174.3 | -179.7 | 178 | 0 | 109.7 | Y669 G673 E674 V676 H720 | Y669-K671 HydrophobicContact CD2-CB 4.12Å; Y669-K671 HydrophobicContact CE2-CB 3.88Å; Y669-K671 HydrophobicContact CE2-CD 4.08Å; K671-G673 PolarHBondContact O-N 2.87Å; K671-E674 PolarHBondContact N-O 2.64Å; K671-E674 PolarHBondContact O-N 2.98Å; K671-V676 HydrophobicContact CB-CG2 4.15Å; K671-H720 CarbonylContact C-O 3.54Å |
| 672 | N | 94.1 | Very high | 92.3 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 65% | 0.647 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.8 | 179.8 | -56.8 | -22.9 | 0 | 0 | 0 | 114.2 | E674 H720 T721 | N672-E674 VanDerWaalsContact C-N 3.33Å; N672-H720 CarbonylContact C-O 3.5Å; N672-H720 WeakPolarHBondContact CA-O 3.2Å; N672-H720 PolarHBondContact N-O 2.76Å; N672-T721 PolarHBondContact N-OG1 2.86Å |
| 673 | G | 93.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -5.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | K671 H720 | K671-G673 PolarHBondContact O-N 2.87Å; G673-H720 PolarHBondContact N-O 3.27Å |
| 674 | E | 96.2 | Very high | 92.3 | Very high | 145 Ų | 145 | 58.2 Ų | 58.2 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 137.3 | -179.6 | -63.4 | -174.8 | 168.8 | 0 | 0 | 111.7 | K671 N672 V676 | K671-E674 PolarHBondContact N-O 2.64Å; K671-E674 PolarHBondContact O-N 2.98Å; N672-E674 VanDerWaalsContact C-N 3.33Å; E674-V676 PolarHBondContact O-N 2.9Å |
| 675 | I | 96.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 58.3 Ų | 58.3 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 118.3 | 172.5 | -62.9 | 176.6 | 0 | 0 | 0 | 108 | T668 L670 | T668-I675 HydrophobicContact CG2-CG2 3.67Å; L670-I675 HydrophobicContact CD1-CG1 4.16Å |
| 676 | V | 96.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.3 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | T668 Y669 K671 E674 | T668-V676 CarbonylContact C-O 3.47Å; T668-V676 VanDerWaalsContact CA-O 3.31Å; T668-V676 WeakPolarHBondContact CA-O 3.29Å; Y669-V676 HydrophobicContact CD1-CB 4.32Å; Y669-V676 HydrophobicContact CD2-CB 4.19Å; Y669-V676 HydrophobicContact CD2-CG2 4.49Å; Y669-V676 HydrophobicContact CE1-CB 3.93Å; Y669-V676 HydrophobicContact CE1-CG1 3.77Å; Y669-V676 HydrophobicContact CE2-CB 3.78Å; Y669-V676 HydrophobicContact CE2-CG1 4.18Å; Y669-V676 HydrophobicContact CE2-CG2 3.94Å; Y669-V676 HydrophobicContact CG-CB 4.45Å; Y669-V676 PolarHBondContact N-O 2.83Å; Y669-V676 PolarHBondContact O-N 3.17Å; Y669-V676 WeakPolarHBondContact OH-CG1 3.46Å; K671-V676 HydrophobicContact CB-CG2 4.15Å; E674-V676 PolarHBondContact O-N 2.9Å |
| 677 | T | 95.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.9 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | A667 | A667-T677 CarbonylContact O-C 3.48Å; A667-T677 WeakPolarHBondContact O-CA 3.48Å |
| 678 | I | 93.5 | Very high | 92.1 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126 | 172 | -57 | 165.5 | 0 | 0 | 0 | 108.2 | S666 A667 Y669 A683 L684 S687 P703 | S666-I678 VanDerWaalsContact CA-O 3.23Å; S666-I678 WeakPolarHBondContact CA-O 3.07Å; S666-I678 WeakPolarHBondContact CB-O 3.44Å; A667-I678 HydrophobicContact CB-CD1 4.44Å; A667-I678 PolarHBondContact N-O 2.9Å; A667-I678 VanDerWaalsContact N-O 3.08Å; A667-I678 PolarHBondContact O-N 2.86Å; Y669-I678 HydrophobicContact CE1-CD1 4.07Å; I678-A683 HydrophobicContact CG2-CB 3.98Å; I678-L684 HydrophobicContact CD1-CD1 4.04Å; I678-L684 HydrophobicContact CG2-CB 4.46Å; I678-S687 VanDerWaalsContact CD1-CB 3.49Å; I678-S687 WeakPolarHBondContact CD1-OG 3.21Å; I678-P703 HydrophobicContact CD1-CG 4.16Å |
| 679 | Q | 91.4 | Very high | 92 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 152.3 | -177.9 | -61.5 | -59.3 | -36.6 | 0 | 0 | 111.9 | ||
| 680 | A | 87.7 | Confident | 92 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -65.4 | 164.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V664 | V664-A680 CarbonylContact O-C 3.49Å; V664-A680 VanDerWaalsContact O-CA 3.32Å; V664-A680 WeakPolarHBondContact O-CA 3.36Å; V664-A680 WeakPolarHBondContact O-CB 3.33Å |
| 681 | G | 81.2 | Confident | 92 | Very high | 57 Ų | 57 | 65 Ų | 65 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 99.2 | 17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V664 | V664-G681 PolarHBondContact O-N 2.81Š|
| 682 | G | 80.6 | Confident | 91.9 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 105.6 | -8.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L684 L685 | G682-L684 PolarHBondContact O-N 3.46Å; G682-L685 PolarHBondContact O-N 3.16Å |
| 683 | A | 86.9 | Confident | 91.8 | Very high | 40 Ų | 40 | 61 Ų | 61 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -59.2 | -18.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I678 L685 D686 | I678-A683 HydrophobicContact CG2-CB 3.98Å; A683-L685 PolarHBondContact O-N 2.79Å; A683-D686 WeakPolarHBondContact O-CB 3.48Å; A683-D686 PolarHBondContact O-N 3.48Å |
| 684 | L | 90.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -55.2 | -39.5 | 172.5 | -172.7 | 61.2 | 0 | 0 | 0 | 112.6 | N662 A667 I678 G682 D686 S687 F702 P703 | N662-L684 VanDerWaalsContact O-CD2 3.3Å; N662-L684 WeakPolarHBondContact O-CD2 3.49Å; A667-L684 HydrophobicContact CB-CD1 3.66Å; I678-L684 HydrophobicContact CD1-CD1 4.04Å; I678-L684 HydrophobicContact CG2-CB 4.46Å; G682-L684 PolarHBondContact O-N 3.46Å; L684-D686 PolarHBondContact O-N 2.7Å; L684-S687 WeakPolarHBondContact O-CB 3.46Å; L684-S687 PolarHBondContact O-N 2.85Å; L684-S687 VanDerWaalsContact O-N 3.1Å; L684-S687 PolarHBondContact O-OG 2.86Å; L684-F702 HydrophobicContact CD2-CD2 3.89Å; L684-F702 HydrophobicContact CD2-CE2 4.19Å; L684-F702 HydrophobicContact CG-CD2 4.08Å; L684-P703 WeakPolarHBondContact CD1-O 3.4Å |
| 685 | L | 90.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -73.9 | -14.5 | -176.3 | -56.9 | 179.3 | 0 | 0 | 0 | 112.9 | T663 G682 A683 S687 V688 M736 G737 V740 | T663-L685 HydrophobicContact CG2-CD2 4.37Å; G682-L685 PolarHBondContact O-N 3.16Å; A683-L685 PolarHBondContact O-N 2.79Å; L685-S687 VanDerWaalsContact C-N 3.29Å; L685-V688 WeakPolarHBondContact O-CG2 3.18Å; L685-M736 HydrophobicContact CD1-CB 3.87Å; L685-G737 VanDerWaalsContact CD1-N 3.34Å; L685-V740 HydrophobicContact CD1-CG2 4.36Å |
| 686 | D | 87.4 | Confident | 91.3 | Very high | 143 Ų | 143 | 58.3 Ų | 58.3 | 77% | 0.765 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -78.9 | -15.8 | 172.2 | -57.9 | -39.7 | 0 | 0 | 0 | 112.1 | A683 L684 | A683-D686 WeakPolarHBondContact O-CB 3.48Å; A683-D686 PolarHBondContact O-N 3.48Å; L684-D686 PolarHBondContact O-N 2.7Å |
| 687 | S | 90.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -91.7 | 6.3 | 179.9 | 76.2 | 0 | 0 | 0 | 0 | 114.4 | I678 L684 L685 P703 | I678-S687 VanDerWaalsContact CD1-CB 3.49Å; I678-S687 WeakPolarHBondContact CD1-OG 3.21Å; L684-S687 WeakPolarHBondContact O-CB 3.46Å; L684-S687 PolarHBondContact O-N 2.85Å; L684-S687 VanDerWaalsContact O-N 3.1Å; L684-S687 PolarHBondContact O-OG 2.86Å; L685-S687 VanDerWaalsContact C-N 3.29Å; S687-P703 WeakPolarHBondContact OG-CD 3.43Å |
| 688 | V | 94.8 | Very high | 91.3 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | trans | -64.6 | 136 | -176.4 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | L685 E700 G701 F702 S733 | L685-V688 WeakPolarHBondContact O-CG2 3.18Å; V688-E700 HydrophobicContact CG1-CB 3.72Å; V688-E700 HydrophobicContact CG1-CG 4.16Å; V688-G701 WeakPolarHBondContact CA-O 3.27Å; V688-F702 HydrophobicContact CG2-CB 4.01Å; V688-F702 HydrophobicContact CG2-CD1 4.22Å; V688-F702 HydrophobicContact CG2-CG 4.49Å; V688-S733 VanDerWaalsContact CG2-CB 3.47Å; V688-S733 WeakPolarHBondContact CG2-OG 3.04Å | ||
| 689 | T | 94.9 | Very high | 91.5 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.5 | 180 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | M691 E700 G701 | T689-M691 WeakPolarHBondContact OG1-CE 3.31Å; T689-E700 CarbonylContact O-C 3.57Å; T689-E700 VanDerWaalsContact O-CA 3.27Å; T689-E700 WeakPolarHBondContact O-CA 3.44Å; T689-G701 PolarHBondContact N-O 3.34Å; T689-G701 PolarHBondContact O-N 2.69Å; T689-G701 PolarHBondContact OG1-O 2.81Å |
| 690 | S | 96.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 138.9 | 172.7 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | D692 K730 | S690-D692 WeakPolarHBondContact CB-OD2 3.49Å; S690-D692 PolarHBondContact OG-OD1 2.87Å; S690-D692 PolarHBondContact OG-OD2 2.92Å; S690-K730 WeakPolarHBondContact OG-CE 3.35Å; S690-K730 PolarHBondContact OG-NZ 2.92Å |
| 691 | M | 96.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 49 Ų | 49 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 90.3 | -178.2 | -67 | -62.9 | 169 | 0 | 0 | 109.7 | F634 T689 F693 L699 L727 | F634-M691 HydrophobicContact CD1-CE 4.04Å; F634-M691 HydrophobicContact CD2-CE 4.29Å; F634-M691 HydrophobicContact CE1-CE 3.5Å; F634-M691 HydrophobicContact CE2-CE 3.78Å; F634-M691 HydrophobicContact CE2-SD 4.48Å; F634-M691 HydrophobicContact CG-CE 4.42Å; F634-M691 HydrophobicContact CZ-CE 3.36Å; T689-M691 WeakPolarHBondContact OG1-CE 3.31Å; M691-F693 HydrophobicContact CB-CD1 4.28Å; M691-F693 HydrophobicContact CB-CE1 3.65Å; M691-F693 HydrophobicContact CB-CZ 4.15Å; M691-F693 HydrophobicContact CG-CE1 4.17Å; M691-F693 HydrophobicContact SD-CE1 3.99Å; M691-L699 HydrophobicContact CB-CB 3.79Å; M691-L699 PolarHBondContact N-O 2.87Å; M691-L727 HydrophobicContact CB-CD2 4.04Å; M691-L727 HydrophobicContact CG-CD2 3.7Å |
| 692 | D | 93.4 | Very high | 93 | Very high | 102 Ų | 102 | 46.4 Ų | 46.4 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | trans | -102.7 | 20.2 | -167 | -55.4 | -59.5 | 0 | 0 | 0 | 113.6 | S690 Y694 K730 | S690-D692 WeakPolarHBondContact CB-OD2 3.49Å; S690-D692 PolarHBondContact OG-OD1 2.87Å; S690-D692 PolarHBondContact OG-OD2 2.92Å; D692-Y694 PolarHBondContact O-N 2.89Å; D692-K730 IonicContact OD1-NZ 2.71Å; D692-K730 PolarHBondContact OD1-NZ 2.73Å | ||
| 693 | F | 91.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -70.2 | -15.4 | 178.5 | 49 | -103.8 | 0 | 0 | 0 | 113.8 | M691 L699 L727 V839 R841 | M691-F693 HydrophobicContact CB-CD1 4.28Å; M691-F693 HydrophobicContact CB-CE1 3.65Å; M691-F693 HydrophobicContact CB-CZ 4.15Å; M691-F693 HydrophobicContact CG-CE1 4.17Å; M691-F693 HydrophobicContact SD-CE1 3.99Å; F693-L699 HydrophobicContact CE2-CD1 4.01Å; F693-L699 HydrophobicContact CZ-CD1 4.14Å; F693-L727 HydrophobicContact CE1-CD2 4.33Å; F693-L727 HydrophobicContact CZ-CD1 3.88Å; F693-L727 HydrophobicContact CZ-CD2 3.89Å; F693-V839 HydrophobicContact CE2-CG1 4.35Å; F693-R841 HydrophobicContact CD1-CG 4.31Å; F693-R841 HydrophobicContact CD2-CB 4.48Å; F693-R841 HydrophobicContact CD2-CG 4.4Å; F693-R841 HydrophobicContact CE1-CB 4.36Å; F693-R841 HydrophobicContact CE1-CG 4.32Å; F693-R841 HydrophobicContact CE2-CB 4.06Å; F693-R841 HydrophobicContact CE2-CG 4.43Å; F693-R841 HydrophobicContact CG-CG 4.37Å; F693-R841 HydrophobicContact CZ-CB 4.01Å; F693-R841 HydrophobicContact CZ-CG 4.39Å |
| 694 | Y | 92.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -120.3 | 102.2 | 166.8 | -66 | -59.7 | 0 | 0 | 0 | 109.6 | D692 G696 L697 L699 V839 D859 V861 | D692-Y694 PolarHBondContact O-N 2.89Å; Y694-G696 PolarHBondContact O-N 2.84Å; Y694-L697 HydrophobicContact CD2-CD1 4.01Å; Y694-L697 HydrophobicContact CG-CD1 4.22Å; Y694-L697 PolarHBondContact O-N 3.19Å; Y694-L697 VanDerWaalsContact O-O 3.09Å; Y694-L699 HydrophobicContact CD2-CD1 4.38Å; Y694-V839 HydrophobicContact CD2-CG1 4.1Å; Y694-V839 HydrophobicContact CE2-CG1 3.62Å; Y694-D859 WeakPolarHBondContact OH-CB 2.84Å; Y694-D859 PolarHBondContact OH-OD1 3.04Å; Y694-V861 HydrophobicContact CE2-CG2 4.26Å |
| 695 | P | 91.1 | Very high | 93.2 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 87% | 0.87 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.1 | -177.4 | -28.2 | 35.4 | 0 | 0 | 0 | 114.6 | ||
| 696 | G | 92.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y694 | Y694-G696 PolarHBondContact O-N 2.84Š|
| 697 | L | 95.9 | Very high | 93.7 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -117.9 | 124.3 | -179.3 | -62.8 | 178.5 | 0 | 0 | 0 | 110.6 | P641 Y694 L699 Y729 M837 V839 | P641-L697 HydrophobicContact CG-CD2 3.55Å; Y694-L697 HydrophobicContact CD2-CD1 4.01Å; Y694-L697 HydrophobicContact CG-CD1 4.22Å; Y694-L697 PolarHBondContact O-N 3.19Å; Y694-L697 VanDerWaalsContact O-O 3.09Å; L697-L699 HydrophobicContact CB-CD1 4.06Å; L697-L699 HydrophobicContact CB-CD2 4.32Å; L697-L699 HydrophobicContact CB-CG 3.84Å; L697-L699 HydrophobicContact CD1-CD1 4.31Å; L697-L699 PolarHBondContact O-N 2.96Å; L697-L699 VanDerWaalsContact O-N 3.07Å; L697-Y729 HydrophobicContact CD2-CE1 4.44Å; L697-M837 HydrophobicContact CD1-CE 4.18Å; L697-M837 HydrophobicContact CD1-SD 4.48Å; L697-M837 HydrophobicContact CD2-CE 4.22Å; L697-V839 HydrophobicContact CD1-CG2 4.2Å |
| 698 | N | 96.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | trans | -87.6 | 76.9 | -178.9 | -163.6 | 21.9 | 0 | 0 | 0 | 111.2 | Y729 K730 | N698-Y729 WeakPolarHBondContact O-CA 3.39Å; N698-K730 PolarHBondContact O-N 2.85Å; N698-K730 WeakPolarHBondContact OD1-CD 3.32Å; N698-K730 WeakPolarHBondContact OD1-CE 3.22Å; N698-K730 WeakPolarHBondContact OD1-CG 3.36Å; N698-K730 PolarHBondContact OD1-NZ 2.85Å | ||
| 699 | L | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.3 | -171.7 | -58.5 | 174.8 | 0 | 0 | 0 | 113.2 | L638 M691 F693 Y694 L697 R728 Y729 K730 V839 | L638-L699 HydrophobicContact CD1-CD2 3.74Å; M691-L699 HydrophobicContact CB-CB 3.79Å; M691-L699 PolarHBondContact N-O 2.87Å; F693-L699 HydrophobicContact CE2-CD1 4.01Å; F693-L699 HydrophobicContact CZ-CD1 4.14Å; Y694-L699 HydrophobicContact CD2-CD1 4.38Å; L697-L699 HydrophobicContact CB-CD1 4.06Å; L697-L699 HydrophobicContact CB-CD2 4.32Å; L697-L699 HydrophobicContact CB-CG 3.84Å; L697-L699 HydrophobicContact CD1-CD1 4.31Å; L697-L699 PolarHBondContact O-N 2.96Å; L697-L699 VanDerWaalsContact O-N 3.07Å; L699-R728 CarbonylContact C-O 3.48Å; L699-R728 WeakPolarHBondContact CA-O 3.36Å; L699-Y729 HydrophobicContact CD2-CD1 3.89Å; L699-Y729 HydrophobicContact CD2-CE1 3.98Å; L699-K730 WeakPolarHBondContact O-CE 3.18Å; L699-V839 HydrophobicContact CD1-CG1 4.37Å |
| 700 | E | 97.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.8 | 164 | 61.1 | -178.3 | -147.4 | 0 | 0 | 109.5 | V688 T689 L727 R728 K730 G731 Y732 S733 | V688-E700 HydrophobicContact CG1-CB 3.72Å; V688-E700 HydrophobicContact CG1-CG 4.16Å; T689-E700 CarbonylContact O-C 3.57Å; T689-E700 VanDerWaalsContact O-CA 3.27Å; T689-E700 WeakPolarHBondContact O-CA 3.44Å; E700-L727 WeakPolarHBondContact O-CA 3.33Å; E700-R728 HydrophobicContact CG-CB 4.08Å; E700-R728 PolarHBondContact N-O 3.1Å; E700-R728 PolarHBondContact O-N 2.83Å; E700-R728 VanDerWaalsContact O-O 3.09Å; E700-K730 HydrophobicContact CB-CG 4.13Å; E700-K730 VanDerWaalsContact OE2-CA 3.28Å; E700-K730 WeakPolarHBondContact OE2-CA 3.46Å; E700-G731 PolarHBondContact OE2-N 3.16Å; E700-Y732 PolarHBondContact OE1-N 2.68Å; E700-S733 WeakPolarHBondContact OE1-CB 3.39Å; E700-S733 PolarHBondContact OE1-N 2.81Å; E700-S733 PolarHBondContact OE1-OG 3.21Å |
| 701 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V688 T689 T726 | V688-G701 WeakPolarHBondContact CA-O 3.27Å; T689-G701 PolarHBondContact N-O 3.34Å; T689-G701 PolarHBondContact O-N 2.69Å; T689-G701 PolarHBondContact OG1-O 2.81Å; G701-T726 WeakPolarHBondContact CA-O 3.36Å |
| 702 | F | 95.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 150.6 | 176.6 | 54.1 | -92.7 | 0 | 0 | 0 | 110.6 | L684 V688 G725 T726 R728 Y732 | L684-F702 HydrophobicContact CD2-CD2 3.89Å; L684-F702 HydrophobicContact CD2-CE2 4.19Å; L684-F702 HydrophobicContact CG-CD2 4.08Å; V688-F702 HydrophobicContact CG2-CB 4.01Å; V688-F702 HydrophobicContact CG2-CD1 4.22Å; V688-F702 HydrophobicContact CG2-CG 4.49Å; F702-G725 CarbonylContact O-C 3.59Å; F702-G725 WeakPolarHBondContact O-CA 3.28Å; F702-T726 HydrophobicContact CE1-CG2 4.33Å; F702-T726 HydrophobicContact CE2-CG2 4.42Å; F702-T726 HydrophobicContact CZ-CG2 3.9Å; F702-T726 PolarHBondContact N-O 3.37Å; F702-T726 PolarHBondContact O-N 3.3Å; F702-R728 HydrophobicContact CE1-CG 4.15Å; F702-Y732 HydrophobicContact CE1-CE1 4.47Å |
| 703 | P | 94.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 153.2 | 179.5 | -23.2 | 34.7 | 0 | 0 | 0 | 113.1 | A667 Y669 I678 L684 S687 L723 R724 | A667-P703 HydrophobicContact CB-CB 3.84Å; Y669-P703 HydrophobicContact CD1-CB 3.87Å; Y669-P703 HydrophobicContact CD1-CG 3.98Å; Y669-P703 HydrophobicContact CE1-CB 4.01Å; Y669-P703 HydrophobicContact CE1-CG 3.6Å; I678-P703 HydrophobicContact CD1-CG 4.16Å; L684-P703 WeakPolarHBondContact CD1-O 3.4Å; S687-P703 WeakPolarHBondContact OG-CD 3.43Å; P703-L723 HydrophobicContact CB-CD1 3.73Å; P703-L723 HydrophobicContact CG-CD1 3.92Å; P703-R724 WeakPolarHBondContact CA-O 3.42Å |
| 704 | N | 83.9 | Confident | 93.4 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | trans | -122.2 | 126.1 | 178.7 | -77.5 | -18.3 | 0 | 0 | 0 | 111.7 | N662 R724 G725 T726 | N662-N704 PolarHBondContact ND2-OD1 3.32Å; N704-R724 PolarHBondContact N-O 2.97Å; N704-G725 VanDerWaalsContact ND2-C 3.28Å; N704-T726 PolarHBondContact ND2-N 2.88Å; N704-T726 VanDerWaalsContact ND2-N 3.19Å; N704-T726 PolarHBondContact ND2-OG1 2.98Å; N704-T726 WeakPolarHBondContact OD1-CB 3.39Å; N704-T726 PolarHBondContact OD1-OG1 3.02Å | ||
| 705 | R | 85.3 | Confident | 93.5 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 47.9 | -141.9 | 168.6 | -55.6 | -179.8 | 177.9 | -173.6 | -2.2 | 110.9 | Y580 A667 T668 | Y580-R705 VanDerWaalsContact CD2-NH1 3.34Å; A667-R705 CarbonylContact C-O 3.48Å; A667-R705 WeakPolarHBondContact CA-O 3.35Å; T668-R705 PolarHBondContact N-O 2.72Å |
| 706 | D | 92.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -100.6 | 116.6 | 176.8 | -175.6 | 6.8 | 0 | 0 | 0 | 111.4 | T668 T708 K709 | T668-D706 CarbonylContact O-C 3.57Å; T668-D706 WeakPolarHBondContact O-CA 3.36Å; D706-T708 WeakPolarHBondContact OD1-CB 3.21Å; D706-T708 PolarHBondContact OD1-N 3.29Å; D706-T708 PolarHBondContact OD1-OG1 3.43Å; D706-T708 PolarHBondContact OD2-OG1 3.41Å; D706-K709 WeakPolarHBondContact O-CE 3.42Å; D706-K709 WeakPolarHBondContact O-CG 3.47Å |
| 707 | S | 94.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -89.4 | -20.4 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | T668 K709 Y710 L722 R724 | T668-S707 PolarHBondContact O-N 3.15Å; S707-K709 VanDerWaalsContact C-N 3.26Å; S707-K709 PolarHBondContact O-N 2.89Å; S707-Y710 WeakPolarHBondContact O-CD2 3.46Å; S707-Y710 PolarHBondContact O-N 2.79Å; S707-L722 WeakPolarHBondContact CB-O 3.13Å; S707-R724 PolarHBondContact OG-N 2.97Å |
| 708 | T | 93.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.1 | -30.5 | -175.5 | 67 | 0 | 0 | 0 | 0 | 112 | T668 D706 Y710 A711 | T668-T708 HydrophobicContact CG2-CG2 4.04Å; D706-T708 WeakPolarHBondContact OD1-CB 3.21Å; D706-T708 PolarHBondContact OD1-N 3.29Å; D706-T708 PolarHBondContact OD1-OG1 3.43Å; D706-T708 PolarHBondContact OD2-OG1 3.41Å; T708-Y710 PolarHBondContact O-N 3.3Å; T708-A711 WeakPolarHBondContact O-CB 3.39Å; T708-A711 PolarHBondContact O-N 2.9Å |
| 709 | K | 91.9 | Very high | 93.7 | Very high | 100 Ų | 100 | 41 Ų | 41 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -59.7 | -16.4 | 175.8 | 73.2 | 179.8 | -174.9 | 164 | 0 | 115.1 | D706 S707 P713 | D706-K709 WeakPolarHBondContact O-CE 3.42Å; D706-K709 WeakPolarHBondContact O-CG 3.47Å; S707-K709 VanDerWaalsContact C-N 3.26Å; S707-K709 PolarHBondContact O-N 2.89Å; K709-P713 WeakPolarHBondContact O-CD 3.5Å; K709-P713 WeakPolarHBondContact O-CG 3.4Å |
| 710 | Y | 91.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 45 Ų | 45 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -82.1 | -12.9 | -179.4 | -69.2 | -78.2 | 0 | 0 | 0 | 113.6 | Y580 H611 S707 T708 E712 Y714 R724 | Y580-Y710 WeakPolarHBondContact CE1-OH 3.36Å; H611-Y710 AromaticContact CE1-CE1 3.45Å; H611-Y710 VanDerWaalsContact CE1-CE1 3.45Å; H611-Y710 WeakPolarHBondContact CE1-CE1 3.46Å; S707-Y710 WeakPolarHBondContact O-CD2 3.46Å; S707-Y710 PolarHBondContact O-N 2.79Å; T708-Y710 PolarHBondContact O-N 3.3Å; Y710-E712 PolarHBondContact O-N 3.25Å; Y710-Y714 HydrophobicContact CD1-CE1 4.03Å; Y710-Y714 HydrophobicContact CD1-CE2 4.27Å; Y710-Y714 AromaticContact CD1-CZ 3.85Å; Y710-Y714 WeakPolarHBondContact O-CB 3.43Å; Y710-Y714 PolarHBondContact O-N 3.43Å; Y710-R724 HydrophobicContact CD2-CG 4.4Å; Y710-R724 HydrophobicContact CE2-CG 4.45Å; Y710-R724 VanDerWaalsContact CZ-NH1 3.29Å; Y710-R724 PolarHBondContact OH-NH1 2.95Å |
| 711 | A | 94.4 | Very high | 93.6 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T708 G715 I716 Q717 L722 | T708-A711 WeakPolarHBondContact O-CB 3.39Å; T708-A711 PolarHBondContact O-N 2.9Å; A711-G715 PolarHBondContact O-N 2.88Å; A711-G715 VanDerWaalsContact O-N 3.15Å; A711-I716 PolarHBondContact O-N 3.01Å; A711-Q717 HydrophobicContact CB-CG 4.43Å; A711-L722 HydrophobicContact CB-CD1 3.56Å |
| 712 | E | 94.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 45.3 Ų | 45.3 | 72% | 0.724 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -75.7 | -51.3 | -176.1 | 179.1 | -179.6 | -164.2 | 0 | 0 | 112.9 | Y710 Y714 G715 | Y710-E712 PolarHBondContact O-N 3.25Å; E712-Y714 VanDerWaalsContact C-N 3.25Å; E712-Y714 PolarHBondContact O-N 3.21Å; E712-G715 PolarHBondContact O-N 2.97Å |
| 713 | P | 91.4 | Very high | 93.6 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -31.4 | 180 | -23.7 | 34.3 | 0 | 0 | 0 | 113.9 | K709 L901 | K709-P713 WeakPolarHBondContact O-CD 3.5Å; K709-P713 WeakPolarHBondContact O-CG 3.4Å; P713-L901 HydrophobicContact CB-CD1 3.51Å |
| 714 | Y | 95.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -87.8 | -13 | 176.3 | -68.4 | 0.7 | 0 | 0 | 0 | 113.3 | H611 A614 K615 I618 K622 Y631 Y710 E712 I716 L901 | H611-Y714 WeakPolarHBondContact CA-OH 3.48Å; H611-Y714 AromaticContact ND1-CE1 3.95Å; H611-Y714 AromaticContact ND1-CZ 3.72Å; H611-Y714 PolarHBondContact ND1-OH 2.92Å; A614-Y714 HydrophobicContact CB-CE2 3.96Å; K615-Y714 HydrophobicContact CD-CD1 3.82Å; K615-Y714 HydrophobicContact CD-CE1 4.47Å; K615-Y714 HydrophobicContact CD-CG 4.14Å; K615-Y714 HydrophobicContact CG-CD1 4.22Å; K615-Y714 HydrophobicContact CG-CE1 4.38Å; I618-Y714 HydrophobicContact CD1-CD2 3.93Å; I618-Y714 HydrophobicContact CD1-CG 4.22Å; K622-Y714 PolarHBondContact NZ-O 2.61Å; Y631-Y714 AromaticContact CE1-CE2 3.87Å; Y631-Y714 HydrophobicContact CE1-CE2 3.87Å; Y631-Y714 HydrophobicContact CE2-CE2 4.33Å; Y631-Y714 AromaticContact CZ-CE2 3.76Å; Y710-Y714 HydrophobicContact CD1-CE1 4.03Å; Y710-Y714 HydrophobicContact CD1-CE2 4.27Å; Y710-Y714 AromaticContact CD1-CZ 3.85Å; Y710-Y714 WeakPolarHBondContact O-CB 3.43Å; Y710-Y714 PolarHBondContact O-N 3.43Å; E712-Y714 VanDerWaalsContact C-N 3.25Å; E712-Y714 PolarHBondContact O-N 3.21Å; Y714-I716 HydrophobicContact CD2-CD1 3.84Å; Y714-I716 HydrophobicContact CG-CD1 4.43Å; Y714-L901 HydrophobicContact CD1-CD1 4.4Å; Y714-L901 HydrophobicContact CD1-CD2 3.98Å; Y714-L901 HydrophobicContact CE1-CD2 3.61Å |
| 715 | G | 95.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 47.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K622 A711 E712 | K622-G715 WeakPolarHBondContact CE-O 3.03Å; K622-G715 PolarHBondContact NZ-O 3.06Å; A711-G715 PolarHBondContact O-N 2.88Å; A711-G715 VanDerWaalsContact O-N 3.15Å; E712-G715 PolarHBondContact O-N 2.97Å |
| 716 | I | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -126 | 36.6 | -178 | 61.6 | 178.8 | 0 | 0 | 0 | 111.7 | I618 I628 Y631 A711 Y714 T718 A719 L722 | I618-I716 HydrophobicContact CD1-CD1 4.34Å; I618-I716 HydrophobicContact CD1-CG2 3.9Å; I618-I716 HydrophobicContact CG1-CG2 4.25Å; I618-I716 HydrophobicContact CG2-CG2 3.91Å; I628-I716 HydrophobicContact CB-CB 4.14Å; I628-I716 HydrophobicContact CB-CG2 3.72Å; I628-I716 HydrophobicContact CD1-CG2 4.24Å; I628-I716 HydrophobicContact CG1-CG2 3.77Å; I628-I716 HydrophobicContact CG2-CB 4.1Å; I628-I716 HydrophobicContact CG2-CG2 3.9Å; Y631-I716 HydrophobicContact CG-CD1 4.32Å; A711-I716 PolarHBondContact O-N 3.01Å; Y714-I716 HydrophobicContact CD2-CD1 3.84Å; Y714-I716 HydrophobicContact CG-CD1 4.43Å; I716-T718 PolarHBondContact O-N 2.84Å; I716-A719 VanDerWaalsContact O-CB 3.23Å; I716-A719 WeakPolarHBondContact O-CB 3.06Å; I716-A719 PolarHBondContact O-N 3.39Å; I716-L722 HydrophobicContact CD1-CD2 3.42Å; I716-L722 VanDerWaalsContact CD1-CD2 3.42Å; I716-L722 HydrophobicContact CG1-CD2 3.95Å | ||
| 717 | Q | 95.6 | Very high | 94.9 | Very high | 125 Ų | 125 | 37.7 Ų | 37.7 | 58% | 0.584 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.7 | 179.7 | -58.8 | 89.1 | -24.2 | 0 | 0 | 113.4 | A711 A719 | A711-Q717 HydrophobicContact CB-CG 4.43Å; Q717-A719 VanDerWaalsContact C-N 3.27Å |
| 718 | T | 92.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.2 | 173.9 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | T627 I628 I716 H720 | T627-T718 HydrophobicContact CG2-CG2 3.96Å; T627-T718 VanDerWaalsContact CG2-OG1 3.22Å; T627-T718 WeakPolarHBondContact CG2-OG1 3.48Å; I628-T718 CarbonylContact O-C 3.54Å; I628-T718 PolarHBondContact O-OG1 3.42Å; I716-T718 PolarHBondContact O-N 2.84Å; T718-H720 PolarHBondContact O-N 2.89Å |
| 719 | A | 96.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | trans | -69 | 128.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | I628 V629 L670 I716 Q717 T721 L722 | I628-A719 HydrophobicContact CG2-CB 4.42Å; I628-A719 PolarHBondContact O-N 3.19Å; V629-A719 CarbonylContact O-C 3.21Å; V629-A719 VanDerWaalsContact O-CA 3.27Å; V629-A719 WeakPolarHBondContact O-CA 3.48Å; L670-A719 WeakPolarHBondContact CD2-O 3.47Å; I716-A719 VanDerWaalsContact O-CB 3.23Å; I716-A719 WeakPolarHBondContact O-CB 3.06Å; I716-A719 PolarHBondContact O-N 3.39Å; Q717-A719 VanDerWaalsContact C-N 3.27Å; A719-T721 VanDerWaalsContact C-N 3.33Å; A719-L722 HydrophobicContact CB-CD2 3.69Å; A719-L722 HydrophobicContact CB-CG 4.06Å | ||
| 720 | H | 96.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 35.5 Ų | 35.5 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -85.2 | -10 | 173.1 | 57.5 | 65.7 | 0 | 0 | 0 | 112.2 | V629 L670 K671 N672 G673 T718 | V629-H720 PolarHBondContact O-CD2 3.03Å; V629-H720 VanDerWaalsContact O-CD2 3.28Å; V629-H720 PolarHBondContact O-CE1 3.37Å; V629-H720 PolarHBondContact O-N 2.8Å; V629-H720 PolarHBondContact O-ND1 3.49Å; V629-H720 PolarHBondContact O-NE2 3.48Å; L670-H720 WeakPolarHBondContact CG-O 3.12Å; K671-H720 CarbonylContact C-O 3.54Å; N672-H720 CarbonylContact C-O 3.5Å; N672-H720 WeakPolarHBondContact CA-O 3.2Å; N672-H720 PolarHBondContact N-O 2.76Å; G673-H720 PolarHBondContact N-O 3.27Å; T718-H720 PolarHBondContact O-N 2.89Å |
| 721 | T | 97.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.5 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | S630 Y631 L670 N672 A719 | S630-T721 CarbonylContact C-O 3.57Å; S630-T721 WeakPolarHBondContact CA-O 3.46Å; Y631-T721 PolarHBondContact N-O 2.84Å; L670-T721 CarbonylContact O-C 3.53Å; L670-T721 WeakPolarHBondContact O-CA 3.42Å; N672-T721 PolarHBondContact N-OG1 2.86Å; A719-T721 VanDerWaalsContact C-N 3.33Å |
| 722 | L | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 105.5 | 177.3 | -64.4 | 175.7 | 0 | 0 | 0 | 108.8 | Y631 Y669 L670 S707 A711 I716 A719 | Y631-L722 HydrophobicContact CD1-CD2 4.37Å; Y631-L722 VanDerWaalsContact O-CA 3.31Å; Y631-L722 WeakPolarHBondContact O-CA 3.17Å; Y669-L722 WeakPolarHBondContact CB-O 3.26Å; L670-L722 HydrophobicContact CB-CB 3.99Å; L670-L722 HydrophobicContact CB-CG 4.47Å; L670-L722 HydrophobicContact CD2-CD1 4.28Å; L670-L722 HydrophobicContact CD2-CG 4.26Å; L670-L722 PolarHBondContact N-O 2.81Å; L670-L722 PolarHBondContact O-N 2.88Å; S707-L722 WeakPolarHBondContact CB-O 3.13Å; A711-L722 HydrophobicContact CB-CD1 3.56Å; I716-L722 HydrophobicContact CD1-CD2 3.42Å; I716-L722 VanDerWaalsContact CD1-CD2 3.42Å; I716-L722 HydrophobicContact CG1-CD2 3.95Å; A719-L722 HydrophobicContact CB-CD2 3.69Å; A719-L722 HydrophobicContact CB-CG 4.06Å |
| 723 | L | 96.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.9 | -176.8 | 173.9 | 62.8 | 0 | 0 | 0 | 110.8 | Y631 T632 S633 F634 Y669 P703 | Y631-L723 PolarHBondContact O-N 2.8Å; T632-L723 CarbonylContact C-O 3.43Å; T632-L723 VanDerWaalsContact CA-O 3.23Å; T632-L723 WeakPolarHBondContact CA-O 3.24Å; T632-L723 HydrophobicContact CG2-CB 4.28Å; T632-L723 HydrophobicContact CG2-CD2 4.1Å; T632-L723 HydrophobicContact CG2-CG 4.29Å; S633-L723 PolarHBondContact N-O 2.97Å; F634-L723 HydrophobicContact CE2-CD2 3.94Å; F634-L723 HydrophobicContact CE2-CG 4.35Å; F634-L723 HydrophobicContact CZ-CD2 4Å; F634-L723 HydrophobicContact CZ-CG 4.41Å; Y669-L723 HydrophobicContact CD1-CD1 4.02Å; Y669-L723 HydrophobicContact CD2-CD1 3.91Å; Y669-L723 HydrophobicContact CE2-CD1 4.45Å; Y669-L723 HydrophobicContact CG-CD1 3.66Å; P703-L723 HydrophobicContact CB-CD1 3.73Å; P703-L723 HydrophobicContact CG-CD1 3.92Å |
| 724 | R | 95.3 | Very high | 96 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.8 | 164.2 | -61.6 | -176.3 | 71.1 | -127.1 | -9.5 | 109.4 | Y580 D606 D610 Y631 S633 P703 N704 S707 Y710 | Y580-R724 PolarHBondContact OH-NH1 2.85Å; D606-R724 IonicContact OD1-CZ 3.54Å; D606-R724 IonicContact OD1-NH1 2.76Å; D606-R724 IonicContact OD1-NH2 3.41Å; D606-R724 PolarHBondContact OD1-NH2 2.84Å; D606-R724 IonicContact OD2-NH2 3.8Å; D606-R724 PolarHBondContact OD2-NH2 2.72Å; D610-R724 IonicContact OD2-CZ 2.59Å; D610-R724 IonicContact OD2-NE 3.13Å; D610-R724 PolarHBondContact OD2-NE 3.18Å; D610-R724 IonicContact OD2-NH2 2.69Å; D610-R724 PolarHBondContact OD2-NH2 3.08Å; Y631-R724 HydrophobicContact CE1-CG 4.06Å; S633-R724 CarbonylContact O-C 3.48Å; S633-R724 VanDerWaalsContact O-CA 3.23Å; S633-R724 WeakPolarHBondContact O-CA 3.01Å; P703-R724 WeakPolarHBondContact CA-O 3.42Å; N704-R724 PolarHBondContact N-O 2.97Å; S707-R724 PolarHBondContact OG-N 2.97Å; Y710-R724 HydrophobicContact CD2-CG 4.4Å; Y710-R724 HydrophobicContact CE2-CG 4.45Å; Y710-R724 VanDerWaalsContact CZ-NH1 3.29Å; Y710-R724 PolarHBondContact OH-NH1 2.95Å |
| 725 | G | 95 | Very high | 96 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 166.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S633 F634 C635 F702 N704 | S633-G725 PolarHBondContact O-N 2.87Å; F634-G725 WeakPolarHBondContact CA-O 3.44Å; C635-G725 PolarHBondContact N-O 2.89Å; C635-G725 VanDerWaalsContact N-O 3.16Å; F702-G725 CarbonylContact O-C 3.59Å; F702-G725 WeakPolarHBondContact O-CA 3.28Å; N704-G725 VanDerWaalsContact ND2-C 3.28Å |
| 726 | T | 95.6 | Very high | 96 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.9 | 176.1 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | C635 G701 F702 N704 R728 | C635-T726 CarbonylContact O-C 3.59Å; C635-T726 WeakPolarHBondContact O-CA 3.36Å; G701-T726 WeakPolarHBondContact CA-O 3.36Å; F702-T726 HydrophobicContact CE1-CG2 4.33Å; F702-T726 HydrophobicContact CE2-CG2 4.42Å; F702-T726 HydrophobicContact CZ-CG2 3.9Å; F702-T726 PolarHBondContact N-O 3.37Å; F702-T726 PolarHBondContact O-N 3.3Å; N704-T726 PolarHBondContact ND2-N 2.88Å; N704-T726 VanDerWaalsContact ND2-N 3.19Å; N704-T726 PolarHBondContact ND2-OG1 2.98Å; N704-T726 WeakPolarHBondContact OD1-CB 3.39Å; N704-T726 PolarHBondContact OD1-OG1 3.02Å; T726-R728 HydrophobicContact CG2-CG 4.21Å |
| 727 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.9 | 165.5 | -64.4 | 169.4 | 0 | 0 | 0 | 111.6 | F634 C635 M691 F693 E700 V839 | F634-L727 HydrophobicContact CB-CD1 4.02Å; F634-L727 HydrophobicContact CB-CD2 3.83Å; F634-L727 HydrophobicContact CB-CG 3.77Å; F634-L727 HydrophobicContact CD1-CD2 3.95Å; F634-L727 HydrophobicContact CD1-CG 4.3Å; F634-L727 HydrophobicContact CG-CD2 4.16Å; F634-L727 HydrophobicContact CG-CG 4.48Å; C635-L727 PolarHBondContact O-N 2.78Å; M691-L727 HydrophobicContact CB-CD2 4.04Å; M691-L727 HydrophobicContact CG-CD2 3.7Å; F693-L727 HydrophobicContact CE1-CD2 4.33Å; F693-L727 HydrophobicContact CZ-CD1 3.88Å; F693-L727 HydrophobicContact CZ-CD2 3.89Å; E700-L727 WeakPolarHBondContact O-CA 3.33Å; L727-V839 HydrophobicContact CD1-CB 4.27Å; L727-V839 HydrophobicContact CD1-CG1 3.92Å |
| 728 | R | 97.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 167.1 | 169.9 | -69.2 | -67.9 | -178 | -92.3 | 5.7 | 109.8 | Y650 L699 E700 F702 T726 Y732 | Y650-R728 VanDerWaalsContact CE2-CZ 3.46Å; Y650-R728 VanDerWaalsContact CE2-NE 3.31Å; Y650-R728 PolarHBondContact OH-NH2 2.82Å; L699-R728 CarbonylContact C-O 3.48Å; L699-R728 WeakPolarHBondContact CA-O 3.36Å; E700-R728 HydrophobicContact CG-CB 4.08Å; E700-R728 PolarHBondContact N-O 3.1Å; E700-R728 PolarHBondContact O-N 2.83Å; E700-R728 VanDerWaalsContact O-O 3.09Å; F702-R728 HydrophobicContact CE1-CG 4.15Å; T726-R728 HydrophobicContact CG2-CG 4.21Å; R728-Y732 HydrophobicContact CB-CD1 3.93Å; R728-Y732 HydrophobicContact CB-CG 3.88Å; R728-Y732 HydrophobicContact CG-CD1 3.5Å; R728-Y732 VanDerWaalsContact CG-CD1 3.5Å; R728-Y732 HydrophobicContact CG-CD2 4.29Å; R728-Y732 HydrophobicContact CG-CE1 3.84Å; R728-Y732 HydrophobicContact CG-CG 3.75Å |
| 729 | Y | 98.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 146.9 | 166.3 | -72 | -64.1 | 0 | 0 | 0 | 110.6 | L638 P639 P641 R649 L697 N698 L699 G731 Y732 M837 | L638-Y729 HydrophobicContact CB-CD2 4.45Å; L638-Y729 HydrophobicContact CB-CE2 3.86Å; L638-Y729 HydrophobicContact CD1-CD2 4.37Å; L638-Y729 HydrophobicContact CD1-CE1 4.49Å; L638-Y729 HydrophobicContact CD1-CE2 4.11Å; L638-Y729 HydrophobicContact CG-CE2 4.44Å; P639-Y729 HydrophobicContact CG-CE2 4.15Å; P639-Y729 WeakPolarHBondContact O-CE2 3.37Å; P639-Y729 PolarHBondContact O-OH 3.23Å; P641-Y729 WeakPolarHBondContact CA-OH 3.47Å; P641-Y729 WeakPolarHBondContact CG-OH 3.4Å; R649-Y729 HydrophobicContact CB-CD2 4.21Å; R649-Y729 HydrophobicContact CB-CG 4.34Å; R649-Y729 WeakPolarHBondContact O-CD2 3.4Å; L697-Y729 HydrophobicContact CD2-CE1 4.44Å; N698-Y729 WeakPolarHBondContact O-CA 3.39Å; L699-Y729 HydrophobicContact CD2-CD1 3.89Å; L699-Y729 HydrophobicContact CD2-CE1 3.98Å; Y729-G731 PolarHBondContact O-N 3.2Å; Y729-Y732 WeakPolarHBondContact O-CB 3.36Å; Y729-Y732 PolarHBondContact O-N 3.03Å; Y729-M837 WeakPolarHBondContact OH-CE 3.48Å |
| 730 | K | 96.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 20.5 Ų | 20.5 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.9 | -179.7 | -68.4 | -163.5 | -167.6 | 147.1 | 0 | 111.5 | S690 D692 N698 L699 E700 | S690-K730 WeakPolarHBondContact OG-CE 3.35Å; S690-K730 PolarHBondContact OG-NZ 2.92Å; D692-K730 IonicContact OD1-NZ 2.71Å; D692-K730 PolarHBondContact OD1-NZ 2.73Å; N698-K730 PolarHBondContact O-N 2.85Å; N698-K730 WeakPolarHBondContact OD1-CD 3.32Å; N698-K730 WeakPolarHBondContact OD1-CE 3.22Å; N698-K730 WeakPolarHBondContact OD1-CG 3.36Å; N698-K730 PolarHBondContact OD1-NZ 2.85Å; L699-K730 WeakPolarHBondContact O-CE 3.18Å; E700-K730 HydrophobicContact CB-CG 4.13Å; E700-K730 VanDerWaalsContact OE2-CA 3.28Å; E700-K730 WeakPolarHBondContact OE2-CA 3.46Å |
| 731 | G | 94.8 | Very high | 96 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 19% | 0.186 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.2 | -15.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | E700 Y729 K734 T735 | E700-G731 PolarHBondContact OE2-N 3.16Å; Y729-G731 PolarHBondContact O-N 3.2Å; G731-K734 PolarHBondContact O-N 2.63Å; G731-T735 PolarHBondContact O-N 3.39Å; G731-T735 PolarHBondContact O-OG1 2.66Å |
| 732 | Y | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.2 | -52.4 | 174.3 | 171.5 | -86.1 | 0 | 0 | 0 | 111.5 | L648 Y650 V659 T663 E700 F702 R728 Y729 K734 T735 M736 | L648-Y732 HydrophobicContact CB-CD2 4.5Å; L648-Y732 HydrophobicContact CD2-CD2 4.05Å; L648-Y732 HydrophobicContact CD2-CE2 4.24Å; L648-Y732 WeakPolarHBondContact O-CD2 3.38Å; Y650-Y732 HydrophobicContact CD2-CD2 4.46Å; Y650-Y732 HydrophobicContact CD2-CE2 4.37Å; Y650-Y732 HydrophobicContact CG-CD2 4.34Å; Y650-Y732 HydrophobicContact CG-CE2 4.11Å; V659-Y732 VanDerWaalsContact CG1-OH 3.26Å; V659-Y732 WeakPolarHBondContact CG1-OH 3.2Å; T663-Y732 HydrophobicContact CG2-CE1 4.43Å; E700-Y732 PolarHBondContact OE1-N 2.68Å; F702-Y732 HydrophobicContact CE1-CE1 4.47Å; R728-Y732 HydrophobicContact CB-CD1 3.93Å; R728-Y732 HydrophobicContact CB-CG 3.88Å; R728-Y732 HydrophobicContact CG-CD1 3.5Å; R728-Y732 VanDerWaalsContact CG-CD1 3.5Å; R728-Y732 HydrophobicContact CG-CD2 4.29Å; R728-Y732 HydrophobicContact CG-CE1 3.84Å; R728-Y732 HydrophobicContact CG-CG 3.75Å; Y729-Y732 WeakPolarHBondContact O-CB 3.36Å; Y729-Y732 PolarHBondContact O-N 3.03Å; Y732-K734 VanDerWaalsContact C-N 3.28Å; Y732-K734 PolarHBondContact O-N 3.45Å; Y732-T735 PolarHBondContact O-N 3.39Å; Y732-T735 VanDerWaalsContact O-N 3.15Å; Y732-M736 HydrophobicContact CD1-CG 4.11Å; Y732-M736 HydrophobicContact CD2-CE 4.47Å; Y732-M736 HydrophobicContact CE1-CE 4.39Å; Y732-M736 HydrophobicContact CE1-CG 3.64Å; Y732-M736 HydrophobicContact CE2-CE 3.56Å; Y732-M736 HydrophobicContact CE2-CG 4.28Å; Y732-M736 VanDerWaalsContact CZ-CE 3.5Å; Y732-M736 WeakPolarHBondContact O-CG 3.36Å; Y732-M736 PolarHBondContact O-N 2.7Å; Y732-M736 VanDerWaalsContact OH-CE 3.3Å; Y732-M736 WeakPolarHBondContact OH-CE 3.38Å |
| 733 | S | 94.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.4 | -34.7 | -176 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | V688 E700 M736 G737 | V688-S733 VanDerWaalsContact CG2-CB 3.47Å; V688-S733 WeakPolarHBondContact CG2-OG 3.04Å; E700-S733 WeakPolarHBondContact OE1-CB 3.39Å; E700-S733 PolarHBondContact OE1-N 2.81Å; E700-S733 PolarHBondContact OE1-OG 3.21Å; S733-M736 PolarHBondContact O-N 3.08Å; S733-G737 PolarHBondContact O-N 3Å |
| 734 | K | 94.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 20.5 Ų | 20.5 | 42% | 0.417 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 172.5 | -171.3 | -176.7 | -175.9 | -164.1 | 0 | 111.2 | G731 Y732 G737 G738 D792 S794 Q795 | G731-K734 PolarHBondContact O-N 2.63Å; Y732-K734 VanDerWaalsContact C-N 3.28Å; Y732-K734 PolarHBondContact O-N 3.45Å; K734-G737 PolarHBondContact O-N 2.81Å; K734-G738 PolarHBondContact O-N 2.95Å; K734-D792 WeakPolarHBondContact CE-OD2 3.42Å; K734-D792 IonicContact NZ-OD1 3.15Å; K734-D792 PolarHBondContact NZ-OD1 3.4Å; K734-D792 IonicContact NZ-OD2 3.32Å; K734-D792 PolarHBondContact NZ-OD2 3.09Å; K734-S794 WeakPolarHBondContact CE-OG 3.47Å; K734-S794 PolarHBondContact NZ-OG 3.45Å; K734-Q795 PolarHBondContact O-NE2 2.87Å |
| 735 | T | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | P647 L648 G731 Y732 G737 G738 F739 A798 | P647-T735 PolarHBondContact O-OG1 3Å; P647-T735 VanDerWaalsContact O-OG1 3.14Å; L648-T735 HydrophobicContact CD2-CG2 3.52Å; L648-T735 HydrophobicContact CG-CG2 4.05Å; G731-T735 PolarHBondContact O-N 3.39Å; G731-T735 PolarHBondContact O-OG1 2.66Å; Y732-T735 PolarHBondContact O-N 3.39Å; Y732-T735 VanDerWaalsContact O-N 3.15Å; T735-G737 VanDerWaalsContact C-N 3.3Å; T735-G737 PolarHBondContact O-N 3.18Å; T735-G738 WeakPolarHBondContact O-CA 3.4Å; T735-G738 PolarHBondContact O-N 3.38Å; T735-F739 HydrophobicContact CG2-CE1 4.27Å; T735-F739 HydrophobicContact CG2-CE2 3.89Å; T735-F739 HydrophobicContact CG2-CZ 3.61Å; T735-F739 PolarHBondContact O-N 3.39Å; T735-A798 HydrophobicContact CG2-CB 3.61Å |
| 736 | M | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 176.4 | -71.9 | -61.9 | 178 | 0 | 0 | 112.6 | L648 L660 T663 L685 Y732 S733 G738 F739 V740 | L648-M736 HydrophobicContact CD1-CE 4.14Å; L648-M736 HydrophobicContact CD2-CE 3.59Å; L648-M736 HydrophobicContact CD2-CG 4.31Å; L648-M736 HydrophobicContact CD2-SD 4.27Å; L660-M736 HydrophobicContact CD2-CE 3.42Å; L660-M736 VanDerWaalsContact CD2-CE 3.42Å; L660-M736 HydrophobicContact CD2-SD 3.71Å; T663-M736 HydrophobicContact CG2-CB 4.16Å; T663-M736 HydrophobicContact CG2-CG 4.06Å; T663-M736 HydrophobicContact CG2-SD 4.49Å; L685-M736 HydrophobicContact CD1-CB 3.87Å; Y732-M736 HydrophobicContact CD1-CG 4.11Å; Y732-M736 HydrophobicContact CD2-CE 4.47Å; Y732-M736 HydrophobicContact CE1-CE 4.39Å; Y732-M736 HydrophobicContact CE1-CG 3.64Å; Y732-M736 HydrophobicContact CE2-CE 3.56Å; Y732-M736 HydrophobicContact CE2-CG 4.28Å; Y732-M736 VanDerWaalsContact CZ-CE 3.5Å; Y732-M736 WeakPolarHBondContact O-CG 3.36Å; Y732-M736 PolarHBondContact O-N 2.7Å; Y732-M736 VanDerWaalsContact OH-CE 3.3Å; Y732-M736 WeakPolarHBondContact OH-CE 3.38Å; S733-M736 PolarHBondContact O-N 3.08Å; M736-G738 PolarHBondContact O-N 2.71Å; M736-F739 WeakPolarHBondContact O-CB 3.35Å; M736-F739 PolarHBondContact O-N 3.22Å; M736-F739 HydrophobicContact SD-CD2 3.64Å; M736-F739 HydrophobicContact SD-CE2 4.05Å; M736-V740 WeakPolarHBondContact O-CG2 3.3Å; M736-V740 PolarHBondContact O-N 2.89Å |
| 737 | G | 95 | Very high | 95.5 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 17% | 0.165 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L685 S733 K734 T735 V740 K741 | L685-G737 VanDerWaalsContact CD1-N 3.34Å; S733-G737 PolarHBondContact O-N 3Å; K734-G737 PolarHBondContact O-N 2.81Å; T735-G737 VanDerWaalsContact C-N 3.3Å; T735-G737 PolarHBondContact O-N 3.18Å; G737-V740 PolarHBondContact O-N 2.86Å; G737-K741 WeakPolarHBondContact O-CG 3.35Å; G737-K741 PolarHBondContact O-N 3.19Å |
| 738 | G | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K734 T735 M736 V740 K741 L742 L789 | K734-G738 PolarHBondContact O-N 2.95Å; T735-G738 WeakPolarHBondContact O-CA 3.4Å; T735-G738 PolarHBondContact O-N 3.38Å; M736-G738 PolarHBondContact O-N 2.71Å; G738-V740 VanDerWaalsContact C-N 3.33Å; G738-V740 PolarHBondContact O-N 2.84Å; G738-K741 PolarHBondContact O-N 3.47Å; G738-L742 WeakPolarHBondContact O-CG 3.33Å; G738-L742 PolarHBondContact O-N 3.45Å; G738-L789 WeakPolarHBondContact O-CD2 3.11Å |
| 739 | F | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 177 | -57.9 | -25.6 | 0 | 0 | 0 | 112.6 | L648 T735 M736 L742 G743 L744 I745 V799 L802 L804 M824 | L648-F739 HydrophobicContact CD1-CE2 4.34Å; L648-F739 HydrophobicContact CD2-CE2 4.15Å; T735-F739 HydrophobicContact CG2-CE1 4.27Å; T735-F739 HydrophobicContact CG2-CE2 3.89Å; T735-F739 HydrophobicContact CG2-CZ 3.61Å; T735-F739 PolarHBondContact O-N 3.39Å; M736-F739 WeakPolarHBondContact O-CB 3.35Å; M736-F739 PolarHBondContact O-N 3.22Å; M736-F739 HydrophobicContact SD-CD2 3.64Å; M736-F739 HydrophobicContact SD-CE2 4.05Å; F739-L742 PolarHBondContact O-N 3.23Å; F739-G743 PolarHBondContact O-N 3.18Å; F739-L744 HydrophobicContact CB-CB 4.12Å; F739-L744 HydrophobicContact CB-CD1 4.2Å; F739-L744 HydrophobicContact CD1-CD1 3.79Å; F739-L744 HydrophobicContact CG-CD1 4.23Å; F739-L744 WeakPolarHBondContact O-CB 3.38Å; F739-L744 PolarHBondContact O-N 3.26Å; F739-I745 HydrophobicContact CB-CD1 3.89Å; F739-I745 HydrophobicContact CB-CG1 3.9Å; F739-V799 HydrophobicContact CD1-CG2 4.31Å; F739-V799 HydrophobicContact CE1-CG2 3.92Å; F739-L802 HydrophobicContact CE1-CD1 4.18Å; F739-L802 HydrophobicContact CE2-CD1 4.28Å; F739-L802 HydrophobicContact CZ-CD1 3.49Å; F739-L802 VanDerWaalsContact CZ-CD1 3.49Å; F739-L804 HydrophobicContact CE1-CD1 4.32Å; F739-M824 HydrophobicContact CD2-CE 3.97Å; F739-M824 HydrophobicContact CE2-CE 3.37Å; F739-M824 HydrophobicContact CZ-CE 4.02Å |
| 740 | V | 94.9 | Very high | 94.8 | Very high | 37 Ų | 37 | 37 Ų | 37 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | V664 L685 M736 G737 G738 L742 G743 I745 | V664-V740 HydrophobicContact CG1-CG1 4.31Å; V664-V740 HydrophobicContact CG1-CG2 3.56Å; L685-V740 HydrophobicContact CD1-CG2 4.36Å; M736-V740 WeakPolarHBondContact O-CG2 3.3Å; M736-V740 PolarHBondContact O-N 2.89Å; G737-V740 PolarHBondContact O-N 2.86Å; G738-V740 VanDerWaalsContact C-N 3.33Å; G738-V740 PolarHBondContact O-N 2.84Å; V740-L742 PolarHBondContact O-N 3.2Å; V740-G743 PolarHBondContact O-N 3.3Å; V740-I745 HydrophobicContact CG2-CB 4.19Å; V740-I745 HydrophobicContact CG2-CG1 3.89Å |
| 741 | K | 94.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 38.6 Ų | 38.6 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.3 | -36.6 | 177.3 | -72.3 | 172.8 | -175.4 | 177.8 | 0 | 112.9 | G737 G738 G743 K788 L789 | G737-K741 WeakPolarHBondContact O-CG 3.35Å; G737-K741 PolarHBondContact O-N 3.19Å; G738-K741 PolarHBondContact O-N 3.47Å; K741-G743 VanDerWaalsContact C-N 3.27Å; K741-G743 PolarHBondContact O-N 2.89Å; K741-K788 WeakPolarHBondContact O-CE 3.39Å; K741-L789 PolarHBondContact NZ-O 3.06Å |
| 742 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9 | 178.5 | -67 | 174.7 | 0 | 0 | 0 | 113.5 | G738 F739 V740 L744 M766 V770 V785 K788 L789 V799 | G738-L742 WeakPolarHBondContact O-CG 3.33Å; G738-L742 PolarHBondContact O-N 3.45Å; F739-L742 PolarHBondContact O-N 3.23Å; V740-L742 PolarHBondContact O-N 3.2Å; L742-L744 VanDerWaalsContact C-N 3.33Å; L742-L744 HydrophobicContact CB-CD1 4.15Å; L742-L744 HydrophobicContact CB-CG 4.03Å; L742-L744 HydrophobicContact CD1-CD1 4.15Å; L742-M766 HydrophobicContact CD1-CE 4.5Å; L742-M766 HydrophobicContact CD1-SD 4.32Å; L742-M766 HydrophobicContact CD2-SD 4.41Å; L742-V770 HydrophobicContact CD2-CG1 4.29Å; L742-V785 HydrophobicContact CD1-CG1 4.23Å; L742-V785 HydrophobicContact CD2-CG1 4.09Å; L742-K788 HydrophobicContact CD2-CB 4.14Å; L742-K788 HydrophobicContact CD2-CD 4.13Å; L742-K788 HydrophobicContact CD2-CG 4.13Å; L742-L789 HydrophobicContact CD1-CD2 3.88Å; L742-L789 HydrophobicContact CD1-CG 4.38Å; L742-L789 HydrophobicContact CD2-CD2 4.21Å; L742-L789 HydrophobicContact CD2-CG 4.27Å; L742-L789 HydrophobicContact CG-CD2 3.78Å; L742-L789 HydrophobicContact CG-CG 4.35Å; L742-V799 HydrophobicContact CD1-CG1 4.5Å; L742-V799 HydrophobicContact CD1-CG2 3.74Å |
| 743 | G | 95.4 | Very high | 93.6 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 18.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F739 V740 K741 N746 | F739-G743 PolarHBondContact O-N 3.18Å; V740-G743 PolarHBondContact O-N 3.3Å; K741-G743 VanDerWaalsContact C-N 3.27Å; K741-G743 PolarHBondContact O-N 2.89Å; G743-N746 WeakPolarHBondContact O-CB 3.37Å |
| 744 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -77.8 | -26.4 | 179.7 | -68.5 | 171.5 | 0 | 0 | 0 | 112.7 | F739 L742 N746 W762 M766 L769 L804 I816 V817 L820 | F739-L744 HydrophobicContact CB-CB 4.12Å; F739-L744 HydrophobicContact CB-CD1 4.2Å; F739-L744 HydrophobicContact CD1-CD1 3.79Å; F739-L744 HydrophobicContact CG-CD1 4.23Å; F739-L744 WeakPolarHBondContact O-CB 3.38Å; F739-L744 PolarHBondContact O-N 3.26Å; L742-L744 VanDerWaalsContact C-N 3.33Å; L742-L744 HydrophobicContact CB-CD1 4.15Å; L742-L744 HydrophobicContact CB-CG 4.03Å; L742-L744 HydrophobicContact CD1-CD1 4.15Å; L744-N746 PolarHBondContact O-N 2.74Å; L744-N746 VanDerWaalsContact O-N 3.16Å; L744-W762 HydrophobicContact CD2-CZ3 4.06Å; L744-M766 HydrophobicContact CD1-CE 4.17Å; L744-M766 HydrophobicContact CD2-CE 4.07Å; L744-M766 HydrophobicContact CG-CE 4.47Å; L744-L769 HydrophobicContact CD2-CD1 3.67Å; L744-L769 HydrophobicContact CG-CD1 4.38Å; L744-L804 HydrophobicContact CD1-CD1 3.97Å; L744-I816 HydrophobicContact CD2-CG2 4.14Å; L744-V817 WeakPolarHBondContact O-CA 3.29Å; L744-V817 PolarHBondContact O-N 3.21Å; L744-L820 HydrophobicContact CB-CD2 4.12Å | ||
| 745 | I | 95 | Very high | 92.3 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -90.4 | 59.9 | 174.8 | -44.2 | -58.2 | 0 | 0 | 0 | 109.3 | L660 V664 F739 V740 V817 L820 | L660-I745 HydrophobicContact CB-CD1 4.27Å; L660-I745 HydrophobicContact CD2-CD1 4.06Å; V664-I745 HydrophobicContact CB-CG2 4.39Å; V664-I745 HydrophobicContact CG1-CB 4.07Å; V664-I745 HydrophobicContact CG1-CG2 3.67Å; V664-I745 HydrophobicContact CG2-CG2 3.77Å; F739-I745 HydrophobicContact CB-CD1 3.89Å; F739-I745 HydrophobicContact CB-CG1 3.9Å; V740-I745 HydrophobicContact CG2-CB 4.19Å; V740-I745 HydrophobicContact CG2-CG1 3.89Å; I745-V817 HydrophobicContact CG2-CG2 4.26Å; I745-L820 HydrophobicContact CD1-CD2 3.82Å |
| 746 | N | 92.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | trans | -116 | 115.5 | 179.5 | -171.4 | -13.2 | 0 | 0 | 0 | 110.9 | G743 L744 D748 I816 V817 | G743-N746 WeakPolarHBondContact O-CB 3.37Å; L744-N746 PolarHBondContact O-N 2.74Å; L744-N746 VanDerWaalsContact O-N 3.16Å; N746-D748 VanDerWaalsContact C-N 3.35Å; N746-D748 WeakPolarHBondContact OD1-CB 3.43Å; N746-D748 PolarHBondContact OD1-N 3.34Å; N746-D748 PolarHBondContact OD1-OD2 3.48Å; N746-I816 HydrophobicContact CB-CD1 4.39Å; N746-V817 WeakPolarHBondContact O-CB 3.23Å; N746-V817 VanDerWaalsContact O-CG1 3.28Å; N746-V817 WeakPolarHBondContact O-CG1 3.48Å; N746-V817 PolarHBondContact O-N 2.94Å; N746-V817 VanDerWaalsContact O-N 3.1Å | ||
| 747 | P | 90.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | trans | -79.9 | -11 | 177.1 | 33 | -34.5 | 0 | 0 | 0 | 114.5 | L661 S815 V817 | L661-P747 HydrophobicContact CD2-CB 3.96Å; L661-P747 HydrophobicContact CD2-CG 4.36Å; P747-S815 VanDerWaalsContact O-CB 3.24Å; P747-S815 WeakPolarHBondContact O-CB 3.31Å; P747-V817 HydrophobicContact CB-CG1 4.34Å | ||
| 748 | D | 93.1 | Very high | 90.1 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -62.7 | 146 | -175.1 | -64 | -22.6 | 0 | 0 | 0 | 111.4 | N746 Y750 S815 | N746-D748 VanDerWaalsContact C-N 3.35Å; N746-D748 WeakPolarHBondContact OD1-CB 3.43Å; N746-D748 PolarHBondContact OD1-N 3.34Å; N746-D748 PolarHBondContact OD1-OD2 3.48Å; D748-Y750 PolarHBondContact O-N 2.6Å; D748-S815 WeakPolarHBondContact O-CB 3.12Å |
| 749 | P | 92.4 | Very high | 89.5 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | B | Isolated β-bridge | trans | -55 | 130.2 | 175.6 | -26.6 | 35 | 0 | 0 | 0 | 112.1 | D814 | P749-D814 CarbonylContact C-O 3.6Å; P749-D814 VanDerWaalsContact CA-O 3.24Å; P749-D814 WeakPolarHBondContact CA-O 3.27Å |
| 750 | Y | 92.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 21% | 0.212 | 38% | 0.384 | C | S | . | . | trans | -125.1 | 91.7 | 179.3 | -159.3 | -89.7 | 0 | 0 | 0 | 110.8 | D748 L752 L753 L765 D814 I816 | D748-Y750 PolarHBondContact O-N 2.6Å; Y750-L752 HydrophobicContact CD1-CB 4Å; Y750-L752 HydrophobicContact CE1-CB 3.73Å; Y750-L752 HydrophobicContact CE1-CD1 3.95Å; Y750-L752 HydrophobicContact CE1-CG 4.17Å; Y750-L752 PolarHBondContact O-N 3.22Å; Y750-L753 HydrophobicContact CD1-CD1 3.96Å; Y750-L753 HydrophobicContact CD1-CG 3.8Å; Y750-L753 HydrophobicContact CE1-CG 4.49Å; Y750-L753 HydrophobicContact CG-CD1 4.41Å; Y750-L753 PolarHBondContact O-N 3.06Å; Y750-L765 HydrophobicContact CE1-CD1 4.03Å; Y750-D814 PolarHBondContact N-O 3Å; Y750-I816 HydrophobicContact CD1-CG1 4.48Å; Y750-I816 HydrophobicContact CD2-CD1 3.73Å; Y750-I816 HydrophobicContact CD2-CG1 3.99Å; Y750-I816 HydrophobicContact CE2-CD1 3.99Å; Y750-I816 HydrophobicContact CG-CD1 4.22Å; Y750-I816 HydrophobicContact CG-CG1 3.95Å | ||
| 751 | P | 88 | Confident | 89.4 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -56.6 | -26 | -168.4 | -29.3 | 35.6 | 0 | 0 | 0 | 116.3 | L753 S754 | P751-L753 PolarHBondContact O-N 3.41Å; P751-S754 VanDerWaalsContact O-CB 3.27Å; P751-S754 WeakPolarHBondContact O-CB 3.28Å; P751-S754 PolarHBondContact O-N 3.2Å |
| 752 | L | 87.7 | Confident | 89.5 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -72.3 | -8.5 | 179.1 | -60.1 | 177.1 | 0 | 0 | 0 | 113.9 | Y750 T757 K768 | Y750-L752 HydrophobicContact CD1-CB 4Å; Y750-L752 HydrophobicContact CE1-CB 3.73Å; Y750-L752 HydrophobicContact CE1-CD1 3.95Å; Y750-L752 HydrophobicContact CE1-CG 4.17Å; Y750-L752 PolarHBondContact O-N 3.22Å; L752-T757 PolarHBondContact O-OG1 2.88Å; L752-T757 VanDerWaalsContact O-OG1 3.12Å; L752-K768 HydrophobicContact CD1-CD 4.31Å |
| 753 | L | 88.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -100.5 | 3.9 | 175.4 | -64.5 | 175 | 0 | 0 | 0 | 112.4 | Y750 P751 L760 V810 A812 A813 I816 A819 | Y750-L753 HydrophobicContact CD1-CD1 3.96Å; Y750-L753 HydrophobicContact CD1-CG 3.8Å; Y750-L753 HydrophobicContact CE1-CG 4.49Å; Y750-L753 HydrophobicContact CG-CD1 4.41Å; Y750-L753 PolarHBondContact O-N 3.06Å; P751-L753 PolarHBondContact O-N 3.41Å; L753-L760 HydrophobicContact CD2-CD2 4.22Å; L753-V810 HydrophobicContact CD2-CB 3.92Å; L753-V810 HydrophobicContact CD2-CG1 3.48Å; L753-V810 VanDerWaalsContact CD2-CG1 3.48Å; L753-A812 CarbonylContact O-C 3.49Å; L753-A812 VanDerWaalsContact O-CA 3.25Å; L753-A812 WeakPolarHBondContact O-CA 3.46Å; L753-A813 CarbonylContact C-O 3.54Å; L753-A813 WeakPolarHBondContact CB-O 3.5Å; L753-A813 PolarHBondContact O-N 3.14Å; L753-I816 HydrophobicContact CD1-CG1 4.12Å; L753-A819 HydrophobicContact CD1-CB 3.96Å |
| 754 | S | 84.6 | Confident | 89.4 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -67.2 | 149.7 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | P751 A756 T757 | P751-S754 VanDerWaalsContact O-CB 3.27Å; P751-S754 WeakPolarHBondContact O-CB 3.28Å; P751-S754 PolarHBondContact O-N 3.2Å; S754-A756 PolarHBondContact O-N 2.97Å; S754-A756 VanDerWaalsContact O-N 3.08Å; S754-A756 PolarHBondContact OG-N 3.49Å; S754-T757 PolarHBondContact O-N 3.45Å; S754-T757 PolarHBondContact O-OG1 3.14Å |
| 755 | S | 77.1 | Confident | 89.4 | Confident | 113 Ų | 113 | 60.3 Ų | 60.3 | 79% | 0.79 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.1 | 173.2 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 756 | A | 77.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | S754 | S754-A756 PolarHBondContact O-N 2.97Å; S754-A756 VanDerWaalsContact O-N 3.08Å; S754-A756 PolarHBondContact OG-N 3.49Å |
| 757 | T | 79.8 | Confident | 89.6 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -104.8 | 156.4 | 178.6 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | L752 S754 | L752-T757 PolarHBondContact O-OG1 2.88Å; L752-T757 VanDerWaalsContact O-OG1 3.12Å; S754-T757 PolarHBondContact O-N 3.45Å; S754-T757 PolarHBondContact O-OG1 3.14Å |
| 758 | P | 82.1 | Confident | 89.8 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 72% | 0.721 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -54 | 143.2 | 171.5 | -24.6 | 34.2 | 0 | 0 | 0 | 111.5 | L760 | P758-L760 PolarHBondContact O-N 2.77Š|
| 759 | P | 84.6 | Confident | 89.9 | Confident | 115 Ų | 115 | 55 Ų | 55 | 75% | 0.747 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 124.7 | -177.4 | 24.2 | -32.3 | 0 | 0 | 0 | 110.8 | ||
| 760 | L | 93.3 | Very high | 90 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 140.8 | 175.6 | -169.9 | 69.8 | 0 | 0 | 0 | 109.4 | L753 P758 E764 L765 V810 | L753-L760 HydrophobicContact CD2-CD2 4.22Å; P758-L760 PolarHBondContact O-N 2.77Å; L760-E764 HydrophobicContact CD1-CB 3.49Å; L760-E764 VanDerWaalsContact CD1-CB 3.49Å; L760-E764 HydrophobicContact CD1-CG 4.42Å; L760-E764 HydrophobicContact CG-CB 4.12Å; L760-L765 HydrophobicContact CD2-CB 3.71Å; L760-L765 HydrophobicContact CD2-CD1 3.96Å; L760-L765 HydrophobicContact CD2-CG 4.34Å; L760-L765 HydrophobicContact CG-CB 4.31Å; L760-V810 WeakPolarHBondContact O-CG2 3.2Å; L760-V810 PolarHBondContact O-N 2.96Å |
| 761 | T | 95.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -87 | 157.4 | 171.4 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | K763 E764 L765 D807 E808 | T761-K763 VanDerWaalsContact C-N 3.26Å; T761-K763 PolarHBondContact O-N 3.31Å; T761-E764 PolarHBondContact N-OE2 3.29Å; T761-E764 PolarHBondContact O-N 3.02Å; T761-E764 VanDerWaalsContact OG1-CD 3.24Å; T761-E764 WeakPolarHBondContact OG1-CG 3.32Å; T761-E764 PolarHBondContact OG1-N 3.21Å; T761-E764 PolarHBondContact OG1-OE2 3.38Å; T761-L765 PolarHBondContact O-N 3.35Å; T761-D807 WeakPolarHBondContact CG2-O 3.5Å; T761-E808 WeakPolarHBondContact CA-O 3.46Å |
| 762 | W | 96.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 175.4 | -85.9 | 110.1 | 0 | 0 | 0 | 112.3 | L744 L765 M766 L804 E808 V810 L820 H823 | L744-W762 HydrophobicContact CD2-CZ3 4.06Å; W762-L765 HydrophobicContact CE3-CD2 4.04Å; W762-L765 HydrophobicContact CZ3-CD2 3.78Å; W762-L765 PolarHBondContact O-N 2.85Å; W762-M766 VanDerWaalsContact O-CB 3.31Å; W762-M766 WeakPolarHBondContact O-CB 3.46Å; W762-M766 PolarHBondContact O-N 3.3Å; W762-L804 HydrophobicContact CD2-CD2 3.62Å; W762-L804 HydrophobicContact CE3-CB 4.3Å; W762-L804 HydrophobicContact CE3-CD2 3.63Å; W762-L804 HydrophobicContact CG-CD2 4.33Å; W762-L804 HydrophobicContact CH2-CD2 3.88Å; W762-L804 HydrophobicContact CZ2-CD2 3.86Å; W762-L804 HydrophobicContact CZ3-CD2 3.76Å; W762-E808 PolarHBondContact N-O 3.1Å; W762-V810 HydrophobicContact CB-CG2 4.44Å; W762-V810 HydrophobicContact CD2-CG2 3.83Å; W762-V810 HydrophobicContact CE3-CG2 4.21Å; W762-V810 HydrophobicContact CG-CG2 3.93Å; W762-V810 HydrophobicContact CH2-CG1 4.36Å; W762-V810 HydrophobicContact CZ2-CG1 4.1Å; W762-L820 HydrophobicContact CH2-CB 4.26Å; W762-L820 HydrophobicContact CH2-CD1 3.94Å; W762-H823 AromaticContact CD1-CE1 3.73Å; W762-H823 AromaticContact CD1-ND1 4Å; W762-H823 AromaticContact CE2-CG 3.81Å; W762-H823 AromaticContact CE2-ND1 3.82Å; W762-H823 HydrophobicContact CZ2-CB 3.64Å; W762-H823 AromaticContact CZ2-CG 3.69Å; W762-H823 AromaticContact NE1-CD2 3.9Å; W762-H823 AromaticContact NE1-CE1 3.17Å; W762-H823 PolarHBondContact NE1-CE1 3.42Å; W762-H823 AromaticContact NE1-CG 3.52Å; W762-H823 AromaticContact NE1-ND1 3.04Å; W762-H823 PolarHBondContact NE1-ND1 3.18Å; W762-H823 AromaticContact NE1-NE2 3.69Å |
| 763 | K | 95.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.7 | -53.4 | 171.6 | -177 | -172.4 | 173.5 | -174.5 | 0 | 111.9 | T761 L765 M766 C767 A776 L781 G806 D807 | T761-K763 VanDerWaalsContact C-N 3.26Å; T761-K763 PolarHBondContact O-N 3.31Å; K763-L765 PolarHBondContact O-N 3.13Å; K763-M766 PolarHBondContact O-N 3.48Å; K763-C767 PolarHBondContact O-N 2.79Å; K763-C767 PolarHBondContact O-SG 3.43Å; K763-C767 VanDerWaalsContact O-SG 3.38Å; K763-A776 VanDerWaalsContact CE-O 3.26Å; K763-A776 WeakPolarHBondContact CE-O 3.5Å; K763-A776 PolarHBondContact NZ-O 3.44Å; K763-L781 HydrophobicContact CB-CD2 4.38Å; K763-L781 HydrophobicContact CG-CD2 3.66Å; K763-G806 WeakPolarHBondContact CB-O 3.45Å; K763-G806 PolarHBondContact N-O 3.35Å; K763-D807 WeakPolarHBondContact CD-OD1 3.42Å |
| 764 | E | 94.9 | Very high | 90.6 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -177.8 | -68.2 | 164.9 | 135.2 | 0 | 0 | 112.3 | L760 T761 K768 P774 | L760-E764 HydrophobicContact CD1-CB 3.49Å; L760-E764 VanDerWaalsContact CD1-CB 3.49Å; L760-E764 HydrophobicContact CD1-CG 4.42Å; L760-E764 HydrophobicContact CG-CB 4.12Å; T761-E764 PolarHBondContact N-OE2 3.29Å; T761-E764 PolarHBondContact O-N 3.02Å; T761-E764 VanDerWaalsContact OG1-CD 3.24Å; T761-E764 WeakPolarHBondContact OG1-CG 3.32Å; T761-E764 PolarHBondContact OG1-N 3.21Å; T761-E764 PolarHBondContact OG1-OE2 3.38Å; E764-K768 WeakPolarHBondContact O-CG 3.43Å; E764-K768 PolarHBondContact O-N 2.85Å; E764-K768 VanDerWaalsContact O-N 3.16Å; E764-P774 HydrophobicContact CG-CB 4.23Å |
| 765 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.8 | -179.5 | 58 | 0 | 0 | 0 | 110.8 | Y750 L760 T761 W762 K763 K768 L769 V810 | Y750-L765 HydrophobicContact CE1-CD1 4.03Å; L760-L765 HydrophobicContact CD2-CB 3.71Å; L760-L765 HydrophobicContact CD2-CD1 3.96Å; L760-L765 HydrophobicContact CD2-CG 4.34Å; L760-L765 HydrophobicContact CG-CB 4.31Å; T761-L765 PolarHBondContact O-N 3.35Å; W762-L765 HydrophobicContact CE3-CD2 4.04Å; W762-L765 HydrophobicContact CZ3-CD2 3.78Å; W762-L765 PolarHBondContact O-N 2.85Å; K763-L765 PolarHBondContact O-N 3.13Å; L765-K768 WeakPolarHBondContact O-CB 3.42Å; L765-K768 PolarHBondContact O-N 3.12Å; L765-L769 HydrophobicContact CD1-CD1 4.43Å; L765-L769 HydrophobicContact CD1-CG 4.41Å; L765-L769 HydrophobicContact CG-CD1 4.16Å; L765-L769 WeakPolarHBondContact O-CG 3.23Å; L765-L769 PolarHBondContact O-N 3.34Å; L765-V810 HydrophobicContact CB-CG2 4.22Å; L765-V810 HydrophobicContact CD2-CG1 4.15Å; L765-V810 HydrophobicContact CD2-CG2 4.01Å |
| 766 | M | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | -179.9 | -164.4 | 63.1 | 63.7 | 0 | 0 | 111.9 | L742 L744 W762 K763 K768 L769 V770 L781 V785 V799 L804 L805 | L742-M766 HydrophobicContact CD1-CE 4.5Å; L742-M766 HydrophobicContact CD1-SD 4.32Å; L742-M766 HydrophobicContact CD2-SD 4.41Å; L744-M766 HydrophobicContact CD1-CE 4.17Å; L744-M766 HydrophobicContact CD2-CE 4.07Å; L744-M766 HydrophobicContact CG-CE 4.47Å; W762-M766 VanDerWaalsContact O-CB 3.31Å; W762-M766 WeakPolarHBondContact O-CB 3.46Å; W762-M766 PolarHBondContact O-N 3.3Å; K763-M766 PolarHBondContact O-N 3.48Å; M766-K768 VanDerWaalsContact C-N 3.29Å; M766-K768 PolarHBondContact O-N 2.9Å; M766-L769 PolarHBondContact O-N 2.79Å; M766-L769 VanDerWaalsContact O-N 3.1Å; M766-L769 HydrophobicContact SD-CB 4.5Å; M766-L769 HydrophobicContact SD-CD1 4.44Å; M766-V770 HydrophobicContact CG-CG1 4.39Å; M766-V770 WeakPolarHBondContact O-CG2 3.23Å; M766-V770 PolarHBondContact O-N 2.88Å; M766-V770 HydrophobicContact SD-CG1 4.34Å; M766-L781 HydrophobicContact CB-CD1 4.08Å; M766-L781 HydrophobicContact CB-CD2 4.49Å; M766-L781 HydrophobicContact CG-CD1 3.87Å; M766-V785 HydrophobicContact CG-CG2 3.56Å; M766-V785 HydrophobicContact SD-CG2 4.12Å; M766-V799 HydrophobicContact CE-CG1 4.39Å; M766-L804 HydrophobicContact CE-CB 4.02Å; M766-L805 HydrophobicContact CB-CD2 4.37Å; M766-L805 HydrophobicContact CE-CD2 4.47Å; M766-L805 HydrophobicContact CG-CD2 3.73Å |
| 767 | C | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.7 | -46.8 | 172.5 | -75.2 | 0 | 0 | 0 | 0 | 111.4 | K763 L769 V770 G771 I772 | K763-C767 PolarHBondContact O-N 2.79Å; K763-C767 PolarHBondContact O-SG 3.43Å; K763-C767 VanDerWaalsContact O-SG 3.38Å; C767-L769 PolarHBondContact O-N 3.06Å; C767-V770 PolarHBondContact O-N 2.88Å; C767-G771 PolarHBondContact O-N 3.15Å; C767-I772 CarbonylContact C-O 3.59Å; C767-I772 HydrophobicContact CB-CG1 3.83Å; C767-I772 PolarHBondContact O-N 2.7Å |
| 768 | K | 94.2 | Very high | 92.4 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.9 | -70.6 | 166.6 | -179.5 | -87.8 | 0 | 112.1 | L752 E764 L765 M766 V770 G771 | L752-K768 HydrophobicContact CD1-CD 4.31Å; E764-K768 WeakPolarHBondContact O-CG 3.43Å; E764-K768 PolarHBondContact O-N 2.85Å; E764-K768 VanDerWaalsContact O-N 3.16Å; L765-K768 WeakPolarHBondContact O-CB 3.42Å; L765-K768 PolarHBondContact O-N 3.12Å; M766-K768 VanDerWaalsContact C-N 3.29Å; M766-K768 PolarHBondContact O-N 2.9Å; K768-V770 PolarHBondContact O-N 2.97Å; K768-G771 PolarHBondContact O-N 3.21Å |
| 769 | L | 94.9 | Very high | 93 | Very high | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.4 | -31.6 | -179.5 | -71 | 175.4 | 0 | 0 | 0 | 113.3 | L744 L765 M766 C767 K788 I816 | L744-L769 HydrophobicContact CD2-CD1 3.67Å; L744-L769 HydrophobicContact CG-CD1 4.38Å; L765-L769 HydrophobicContact CD1-CD1 4.43Å; L765-L769 HydrophobicContact CD1-CG 4.41Å; L765-L769 HydrophobicContact CG-CD1 4.16Å; L765-L769 WeakPolarHBondContact O-CG 3.23Å; L765-L769 PolarHBondContact O-N 3.34Å; M766-L769 PolarHBondContact O-N 2.79Å; M766-L769 VanDerWaalsContact O-N 3.1Å; M766-L769 HydrophobicContact SD-CB 4.5Å; M766-L769 HydrophobicContact SD-CD1 4.44Å; C767-L769 PolarHBondContact O-N 3.06Å; L769-K788 PolarHBondContact O-NZ 3.24Å; L769-I816 HydrophobicContact CD2-CD1 3.96Å |
| 770 | V | 95.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -93.8 | -6 | 177 | -53 | 0 | 0 | 0 | 0 | 113.7 | L742 M766 C767 K768 I772 L781 A784 V785 K788 | L742-V770 HydrophobicContact CD2-CG1 4.29Å; M766-V770 HydrophobicContact CG-CG1 4.39Å; M766-V770 WeakPolarHBondContact O-CG2 3.23Å; M766-V770 PolarHBondContact O-N 2.88Å; M766-V770 HydrophobicContact SD-CG1 4.34Å; C767-V770 PolarHBondContact O-N 2.88Å; K768-V770 PolarHBondContact O-N 2.97Å; V770-I772 HydrophobicContact CG2-CD1 4.01Å; V770-I772 HydrophobicContact CG2-CG1 3.8Å; V770-I772 HydrophobicContact CG2-CG2 4.29Å; V770-L781 HydrophobicContact CG2-CD1 4.04Å; V770-A784 HydrophobicContact CB-CB 4.21Å; V770-A784 HydrophobicContact CG2-CB 3.74Å; V770-V785 HydrophobicContact CG1-CG2 3.75Å; V770-K788 HydrophobicContact CG1-CD 4.12Å |
| 771 | G | 93.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 33.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C767 K768 | C767-G771 PolarHBondContact O-N 3.15Å; K768-G771 PolarHBondContact O-N 3.21Å |
| 772 | I | 94.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 54 Ų | 54 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | trans | -118.6 | 164 | 175.2 | 69.4 | 177.2 | 0 | 0 | 0 | 111.3 | C767 V770 A776 L781 A784 | C767-I772 CarbonylContact C-O 3.59Å; C767-I772 HydrophobicContact CB-CG1 3.83Å; C767-I772 PolarHBondContact O-N 2.7Å; V770-I772 HydrophobicContact CG2-CD1 4.01Å; V770-I772 HydrophobicContact CG2-CG1 3.8Å; V770-I772 HydrophobicContact CG2-CG2 4.29Å; I772-A776 HydrophobicContact CD1-CB 3.85Å; I772-A776 HydrophobicContact CG1-CB 4.35Å; I772-L781 HydrophobicContact CD1-CB 4.04Å; I772-L781 HydrophobicContact CD1-CD1 3.96Å; I772-A784 HydrophobicContact CD1-CB 4.23Å; I772-A784 HydrophobicContact CG2-CB 4.2Å | ||
| 773 | E | 91.1 | Very high | 93.6 | Very high | 136 Ų | 136 | 58.9 Ų | 58.9 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | trans | -63.7 | 137.2 | 178.9 | -73.2 | -61.1 | 138.5 | 0 | 0 | 112.1 | S775 A776 | E773-S775 PolarHBondContact O-N 2.95Å; E773-S775 VanDerWaalsContact O-N 3.14Å; E773-A776 WeakPolarHBondContact O-CB 3.29Å; E773-A776 PolarHBondContact O-N 3.49Å | ||
| 774 | P | 87.5 | Confident | 93.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.2 | 177.7 | -24.9 | 34.4 | 0 | 0 | 0 | 114.2 | E764 A776 | E764-P774 HydrophobicContact CG-CB 4.23Å; P774-A776 PolarHBondContact O-N 2.95Å |
| 775 | S | 86.6 | Confident | 93.7 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 74% | 0.741 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2 | 175.7 | 58 | 0 | 0 | 0 | 0 | 114.1 | E773 | E773-S775 PolarHBondContact O-N 2.95Å; E773-S775 VanDerWaalsContact O-N 3.14Å |
| 776 | A | 87.9 | Confident | 93.8 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | trans | -57.1 | 145.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K763 I772 E773 P774 A780 | K763-A776 VanDerWaalsContact CE-O 3.26Å; K763-A776 WeakPolarHBondContact CE-O 3.5Å; K763-A776 PolarHBondContact NZ-O 3.44Å; I772-A776 HydrophobicContact CD1-CB 3.85Å; I772-A776 HydrophobicContact CG1-CB 4.35Å; E773-A776 WeakPolarHBondContact O-CB 3.29Å; E773-A776 PolarHBondContact O-N 3.49Å; P774-A776 PolarHBondContact O-N 2.95Å; A776-A780 HydrophobicContact CB-CB 4.45Å | ||
| 777 | E | 91.2 | Very high | 93.8 | Very high | 145 Ų | 145 | 60 Ų | 60 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | trans | -63.9 | 151.3 | 171.6 | -66.5 | -166.6 | 164.6 | 0 | 0 | 110.9 | S779 A780 L781 | E777-S779 PolarHBondContact O-N 3.32Å; E777-A780 PolarHBondContact O-N 3.03Å; E777-L781 PolarHBondContact O-N 2.94Å; E777-L781 VanDerWaalsContact O-N 3.09Å | ||
| 778 | Y | 92.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.9 | -37.5 | -179.3 | 179.1 | -95.2 | 0 | 0 | 0 | 112.8 | A780 L781 K782 E800 L805 | Y778-A780 PolarHBondContact O-N 3.2Å; Y778-L781 PolarHBondContact O-N 3.33Å; Y778-K782 HydrophobicContact CE1-CD 4.15Å; Y778-K782 VanDerWaalsContact O-CB 3.31Å; Y778-K782 WeakPolarHBondContact O-CB 3.27Å; Y778-K782 PolarHBondContact O-N 3.35Å; Y778-E800 PolarHBondContact OH-OE1 3.48Å; Y778-L805 HydrophobicContact CE2-CB 3.82Å |
| 779 | S | 93.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | E777 E783 | E777-S779 PolarHBondContact O-N 3.32Å; S779-E783 PolarHBondContact O-N 3.41Å |
| 780 | A | 94.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A776 E777 Y778 E783 A784 | A776-A780 HydrophobicContact CB-CB 4.45Å; E777-A780 PolarHBondContact O-N 3.03Å; Y778-A780 PolarHBondContact O-N 3.2Å; A780-E783 PolarHBondContact O-N 3.41Å; A780-A784 WeakPolarHBondContact O-CB 3.14Å; A780-A784 PolarHBondContact O-N 2.83Å |
| 781 | L | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.4 | 174.5 | 59.4 | 0 | 0 | 0 | 111.5 | K763 M766 V770 I772 E777 Y778 E783 A784 V785 L805 | K763-L781 HydrophobicContact CB-CD2 4.38Å; K763-L781 HydrophobicContact CG-CD2 3.66Å; M766-L781 HydrophobicContact CB-CD1 4.08Å; M766-L781 HydrophobicContact CB-CD2 4.49Å; M766-L781 HydrophobicContact CG-CD1 3.87Å; V770-L781 HydrophobicContact CG2-CD1 4.04Å; I772-L781 HydrophobicContact CD1-CB 4.04Å; I772-L781 HydrophobicContact CD1-CD1 3.96Å; E777-L781 PolarHBondContact O-N 2.94Å; E777-L781 VanDerWaalsContact O-N 3.09Å; Y778-L781 PolarHBondContact O-N 3.33Å; L781-E783 VanDerWaalsContact C-N 3.33Å; L781-E783 PolarHBondContact O-N 3.28Å; L781-A784 PolarHBondContact O-N 2.93Å; L781-V785 HydrophobicContact CD1-CG2 3.93Å; L781-V785 HydrophobicContact CG-CG2 4.46Å; L781-V785 WeakPolarHBondContact O-CG2 3.12Å; L781-V785 PolarHBondContact O-N 3.21Å; L781-L805 HydrophobicContact CD2-CB 4.34Å; L781-L805 HydrophobicContact CD2-CD2 4.36Å; L781-L805 HydrophobicContact CG-CD2 4.36Å |
| 782 | K | 96.5 | Very high | 94 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 179 | -177.2 | 171.5 | 179.8 | 157 | 0 | 111.7 | Y778 F786 L796 E800 | Y778-K782 HydrophobicContact CE1-CD 4.15Å; Y778-K782 VanDerWaalsContact O-CB 3.31Å; Y778-K782 WeakPolarHBondContact O-CB 3.27Å; Y778-K782 PolarHBondContact O-N 3.35Å; K782-F786 VanDerWaalsContact O-CB 3.29Å; K782-F786 WeakPolarHBondContact O-CB 3.5Å; K782-F786 PolarHBondContact O-N 3.22Å; K782-L796 HydrophobicContact CG-CD1 4.35Å; K782-L796 HydrophobicContact CG-CD2 4.18Å; K782-E800 WeakPolarHBondContact CD-OE1 3.45Å; K782-E800 WeakPolarHBondContact CE-OE1 3.32Å; K782-E800 VanDerWaalsContact NZ-CD 3.29Å; K782-E800 IonicContact NZ-OE1 2.79Å; K782-E800 PolarHBondContact NZ-OE1 2.87Å; K782-E800 IonicContact NZ-OE2 2.63Å; K782-E800 PolarHBondContact NZ-OE2 3.36Å; K782-E800 VanDerWaalsContact NZ-OE2 3.15Å |
| 783 | E | 96 | Very high | 94.1 | Very high | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.8 | -175.1 | 59.6 | -157.9 | 0 | 0 | 112.3 | S779 A780 L781 V785 F786 S787 | S779-E783 PolarHBondContact O-N 3.41Å; A780-E783 PolarHBondContact O-N 3.41Å; L781-E783 VanDerWaalsContact C-N 3.33Å; L781-E783 PolarHBondContact O-N 3.28Å; E783-V785 PolarHBondContact O-N 3.4Å; E783-F786 PolarHBondContact O-N 3.06Å; E783-S787 WeakPolarHBondContact O-CB 3.11Å; E783-S787 PolarHBondContact O-N 2.91Å |
| 784 | A | 96.5 | Very high | 94.3 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V770 I772 A780 L781 K788 | V770-A784 HydrophobicContact CB-CB 4.21Å; V770-A784 HydrophobicContact CG2-CB 3.74Å; I772-A784 HydrophobicContact CD1-CB 4.23Å; I772-A784 HydrophobicContact CG2-CB 4.2Å; A780-A784 WeakPolarHBondContact O-CB 3.14Å; A780-A784 PolarHBondContact O-N 2.83Å; L781-A784 PolarHBondContact O-N 2.93Å; A784-K788 WeakPolarHBondContact O-CB 3.27Å; A784-K788 PolarHBondContact O-N 3.01Å |
| 785 | V | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L742 M766 V770 L781 E783 S787 K788 L789 L796 V799 L805 | L742-V785 HydrophobicContact CD1-CG1 4.23Å; L742-V785 HydrophobicContact CD2-CG1 4.09Å; M766-V785 HydrophobicContact CG-CG2 3.56Å; M766-V785 HydrophobicContact SD-CG2 4.12Å; V770-V785 HydrophobicContact CG1-CG2 3.75Å; L781-V785 HydrophobicContact CD1-CG2 3.93Å; L781-V785 HydrophobicContact CG-CG2 4.46Å; L781-V785 WeakPolarHBondContact O-CG2 3.12Å; L781-V785 PolarHBondContact O-N 3.21Å; E783-V785 PolarHBondContact O-N 3.4Å; V785-S787 VanDerWaalsContact C-N 3.3Å; V785-S787 PolarHBondContact O-N 3.2Å; V785-K788 PolarHBondContact O-N 3.2Å; V785-L789 HydrophobicContact CG1-CD1 3.84Å; V785-L789 HydrophobicContact CG1-CG 4.4Å; V785-L789 VanDerWaalsContact O-CG 3.29Å; V785-L789 WeakPolarHBondContact O-CG 3.4Å; V785-L789 PolarHBondContact O-N 3.28Å; V785-L796 HydrophobicContact CB-CD1 4.37Å; V785-L796 HydrophobicContact CG1-CD1 3.79Å; V785-V799 HydrophobicContact CG1-CG1 4.29Å; V785-L805 HydrophobicContact CG1-CD2 4.4Å; V785-L805 HydrophobicContact CG2-CD2 3.82Å |
| 786 | F | 97.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 179.1 | -173.3 | -131.8 | 0 | 0 | 0 | 112.2 | K782 E783 L789 G790 K791 K793 L796 | K782-F786 VanDerWaalsContact O-CB 3.29Å; K782-F786 WeakPolarHBondContact O-CB 3.5Å; K782-F786 PolarHBondContact O-N 3.22Å; E783-F786 PolarHBondContact O-N 3.06Å; F786-L789 PolarHBondContact O-N 3.22Å; F786-G790 PolarHBondContact O-N 2.76Å; F786-K791 HydrophobicContact CD1-CB 4.33Å; F786-K791 HydrophobicContact CD1-CG 4.07Å; F786-K791 HydrophobicContact CE1-CB 3.78Å; F786-K791 HydrophobicContact CE1-CD 4.32Å; F786-K791 HydrophobicContact CE1-CG 3.85Å; F786-K791 HydrophobicContact CE2-CB 4.02Å; F786-K791 WeakPolarHBondContact CE2-O 3.26Å; F786-K791 HydrophobicContact CZ-CB 3.61Å; F786-K791 HydrophobicContact CZ-CG 4.21Å; F786-K791 VanDerWaalsContact CZ-O 3.27Å; F786-K791 WeakPolarHBondContact CZ-O 3.42Å; F786-K791 WeakPolarHBondContact O-CA 3.3Å; F786-K791 PolarHBondContact O-N 3.5Å; F786-K793 HydrophobicContact CE2-CG 4.1Å; F786-K793 HydrophobicContact CZ-CG 4.19Å; F786-L796 HydrophobicContact CB-CD1 4.39Å; F786-L796 HydrophobicContact CB-CD2 3.98Å; F786-L796 HydrophobicContact CD2-CB 4.1Å; F786-L796 HydrophobicContact CD2-CD2 3.68Å; F786-L796 HydrophobicContact CD2-CG 4.43Å; F786-L796 HydrophobicContact CE2-CD2 4.38Å; F786-L796 HydrophobicContact CG-CD2 3.99Å |
| 787 | S | 96.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | E783 V785 L789 G790 | E783-S787 WeakPolarHBondContact O-CB 3.11Å; E783-S787 PolarHBondContact O-N 2.91Å; V785-S787 VanDerWaalsContact C-N 3.3Å; V785-S787 PolarHBondContact O-N 3.2Å; S787-L789 VanDerWaalsContact C-N 3.26Å; S787-L789 PolarHBondContact O-N 2.84Å; S787-G790 PolarHBondContact O-N 3Å |
| 788 | K | 96 | Very high | 95.9 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -27.9 | 179.2 | -168.2 | 162.5 | -179 | 165.9 | 0 | 113.4 | K741 L742 L769 V770 A784 V785 G790 | K741-K788 WeakPolarHBondContact O-CE 3.39Å; L742-K788 HydrophobicContact CD2-CB 4.14Å; L742-K788 HydrophobicContact CD2-CD 4.13Å; L742-K788 HydrophobicContact CD2-CG 4.13Å; L769-K788 PolarHBondContact O-NZ 3.24Å; V770-K788 HydrophobicContact CG1-CD 4.12Å; A784-K788 WeakPolarHBondContact O-CB 3.27Å; A784-K788 PolarHBondContact O-N 3.01Å; V785-K788 PolarHBondContact O-N 3.2Å; K788-G790 PolarHBondContact O-N 3.34Å |
| 789 | L | 96 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.5 | 172.7 | -67.9 | 172.5 | 0 | 0 | 0 | 113.3 | G738 K741 L742 V785 F786 S787 Q795 L796 V799 | G738-L789 WeakPolarHBondContact O-CD2 3.11Å; K741-L789 PolarHBondContact NZ-O 3.06Å; L742-L789 HydrophobicContact CD1-CD2 3.88Å; L742-L789 HydrophobicContact CD1-CG 4.38Å; L742-L789 HydrophobicContact CD2-CD2 4.21Å; L742-L789 HydrophobicContact CD2-CG 4.27Å; L742-L789 HydrophobicContact CG-CD2 3.78Å; L742-L789 HydrophobicContact CG-CG 4.35Å; V785-L789 HydrophobicContact CG1-CD1 3.84Å; V785-L789 HydrophobicContact CG1-CG 4.4Å; V785-L789 VanDerWaalsContact O-CG 3.29Å; V785-L789 WeakPolarHBondContact O-CG 3.4Å; V785-L789 PolarHBondContact O-N 3.28Å; F786-L789 PolarHBondContact O-N 3.22Å; S787-L789 VanDerWaalsContact C-N 3.26Å; S787-L789 PolarHBondContact O-N 2.84Å; L789-Q795 HydrophobicContact CB-CB 4.48Å; L789-Q795 HydrophobicContact CD1-CB 3.92Å; L789-Q795 HydrophobicContact CD2-CB 4.08Å; L789-Q795 HydrophobicContact CG-CB 4.39Å; L789-Q795 PolarHBondContact O-OE1 2.98Å; L789-L796 HydrophobicContact CD1-CB 4.2Å; L789-L796 HydrophobicContact CD1-CD1 4.46Å; L789-V799 HydrophobicContact CD1-CG2 4.45Å |
| 790 | G | 95.3 | Very high | 96.3 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 29.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F786 S787 K788 D792 | F786-G790 PolarHBondContact O-N 2.76Å; S787-G790 PolarHBondContact O-N 3Å; K788-G790 PolarHBondContact O-N 3.34Å; G790-D792 VanDerWaalsContact C-N 3.26Å; G790-D792 PolarHBondContact O-N 2.84Å |
| 791 | K | 95.3 | Very high | 96.5 | Very high | 130 Ų | 130 | 54.3 Ų | 54.3 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 60.3 | 30.9 | -178.3 | -58.8 | -174.4 | 176.3 | -175.1 | 0 | 114.3 | F786 K793 | F786-K791 HydrophobicContact CD1-CB 4.33Å; F786-K791 HydrophobicContact CD1-CG 4.07Å; F786-K791 HydrophobicContact CE1-CB 3.78Å; F786-K791 HydrophobicContact CE1-CD 4.32Å; F786-K791 HydrophobicContact CE1-CG 3.85Å; F786-K791 HydrophobicContact CE2-CB 4.02Å; F786-K791 WeakPolarHBondContact CE2-O 3.26Å; F786-K791 HydrophobicContact CZ-CB 3.61Å; F786-K791 HydrophobicContact CZ-CG 4.21Å; F786-K791 VanDerWaalsContact CZ-O 3.27Å; F786-K791 WeakPolarHBondContact CZ-O 3.42Å; F786-K791 WeakPolarHBondContact O-CA 3.3Å; F786-K791 PolarHBondContact O-N 3.5Å; K791-K793 PolarHBondContact O-N 3.42Å |
| 792 | D | 96.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -81.8 | 112.2 | 173.5 | -168.6 | -71.4 | 0 | 0 | 0 | 111.1 | K734 G790 S794 Q795 L796 | K734-D792 WeakPolarHBondContact CE-OD2 3.42Å; K734-D792 IonicContact NZ-OD1 3.15Å; K734-D792 PolarHBondContact NZ-OD1 3.4Å; K734-D792 IonicContact NZ-OD2 3.32Å; K734-D792 PolarHBondContact NZ-OD2 3.09Å; G790-D792 VanDerWaalsContact C-N 3.26Å; G790-D792 PolarHBondContact O-N 2.84Å; D792-S794 PolarHBondContact O-N 3.47Å; D792-S794 PolarHBondContact OD1-N 3.12Å; D792-S794 PolarHBondContact OD1-OG 2.87Å; D792-Q795 HydrophobicContact CB-CB 4.15Å; D792-Q795 HydrophobicContact CB-CG 4.09Å; D792-Q795 PolarHBondContact O-N 3.14Å; D792-Q795 PolarHBondContact OD1-N 3.2Å; D792-L796 PolarHBondContact O-N 2.93Å | ||
| 793 | K | 95.6 | Very high | 96.5 | Very high | 150 Ų | 150 | 51.7 Ų | 51.7 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | -177.7 | -67.4 | -176.4 | 178.3 | -177.9 | 0 | 112.6 | F786 K791 Q795 L796 E797 | F786-K793 HydrophobicContact CE2-CG 4.1Å; F786-K793 HydrophobicContact CZ-CG 4.19Å; K791-K793 PolarHBondContact O-N 3.42Å; K793-Q795 VanDerWaalsContact C-N 3.35Å; K793-Q795 PolarHBondContact O-N 3.33Å; K793-L796 PolarHBondContact O-N 2.84Å; K793-E797 WeakPolarHBondContact O-CB 3.36Å; K793-E797 VanDerWaalsContact O-CG 3.32Å; K793-E797 WeakPolarHBondContact O-CG 3.37Å; K793-E797 PolarHBondContact O-N 3.19Å |
| 794 | S | 94.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -35.6 | -177.9 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | K734 D792 A798 | K734-S794 WeakPolarHBondContact CE-OG 3.47Å; K734-S794 PolarHBondContact NZ-OG 3.45Å; D792-S794 PolarHBondContact O-N 3.47Å; D792-S794 PolarHBondContact OD1-N 3.12Å; D792-S794 PolarHBondContact OD1-OG 2.87Å; S794-A798 PolarHBondContact O-N 3.16Å; S794-A798 VanDerWaalsContact O-N 3.13Å |
| 795 | Q | 97 | Very high | 96.5 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 174 | -68.7 | -179.4 | -17.2 | 0 | 0 | 111.3 | K734 L789 D792 K793 A798 V799 | K734-Q795 PolarHBondContact O-NE2 2.87Å; L789-Q795 HydrophobicContact CB-CB 4.48Å; L789-Q795 HydrophobicContact CD1-CB 3.92Å; L789-Q795 HydrophobicContact CD2-CB 4.08Å; L789-Q795 HydrophobicContact CG-CB 4.39Å; L789-Q795 PolarHBondContact O-OE1 2.98Å; D792-Q795 HydrophobicContact CB-CB 4.15Å; D792-Q795 HydrophobicContact CB-CG 4.09Å; D792-Q795 PolarHBondContact O-N 3.14Å; D792-Q795 PolarHBondContact OD1-N 3.2Å; K793-Q795 VanDerWaalsContact C-N 3.35Å; K793-Q795 PolarHBondContact O-N 3.33Å; Q795-A798 PolarHBondContact O-N 3.25Å; Q795-V799 VanDerWaalsContact O-CG2 3.31Å; Q795-V799 WeakPolarHBondContact O-CG2 3.5Å; Q795-V799 PolarHBondContact O-N 3.03Å; Q795-V799 VanDerWaalsContact O-N 3.12Å |
| 796 | L | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.6 | -177.5 | 66.7 | 0 | 0 | 0 | 111.4 | K782 V785 F786 L789 D792 K793 A798 V799 E800 L805 | K782-L796 HydrophobicContact CG-CD1 4.35Å; K782-L796 HydrophobicContact CG-CD2 4.18Å; V785-L796 HydrophobicContact CB-CD1 4.37Å; V785-L796 HydrophobicContact CG1-CD1 3.79Å; F786-L796 HydrophobicContact CB-CD1 4.39Å; F786-L796 HydrophobicContact CB-CD2 3.98Å; F786-L796 HydrophobicContact CD2-CB 4.1Å; F786-L796 HydrophobicContact CD2-CD2 3.68Å; F786-L796 HydrophobicContact CD2-CG 4.43Å; F786-L796 HydrophobicContact CE2-CD2 4.38Å; F786-L796 HydrophobicContact CG-CD2 3.99Å; L789-L796 HydrophobicContact CD1-CB 4.2Å; L789-L796 HydrophobicContact CD1-CD1 4.46Å; D792-L796 PolarHBondContact O-N 2.93Å; K793-L796 PolarHBondContact O-N 2.84Å; L796-A798 VanDerWaalsContact C-N 3.25Å; L796-A798 PolarHBondContact O-N 3.46Å; L796-V799 WeakPolarHBondContact O-CB 3.46Å; L796-V799 PolarHBondContact O-N 3.31Å; L796-V799 VanDerWaalsContact O-N 3.09Å; L796-E800 HydrophobicContact CG-CG 4.48Å; L796-E800 WeakPolarHBondContact O-CG 3.49Å; L796-E800 PolarHBondContact O-N 2.82Å; L796-L805 HydrophobicContact CD1-CD1 4.44Å |
| 797 | E | 96.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.7 | -39.7 | 176.3 | -74.6 | 166 | -170.5 | 0 | 0 | 111.6 | K793 E800 W801 | K793-E797 WeakPolarHBondContact O-CB 3.36Å; K793-E797 VanDerWaalsContact O-CG 3.32Å; K793-E797 WeakPolarHBondContact O-CG 3.37Å; K793-E797 PolarHBondContact O-N 3.19Å; E797-E800 PolarHBondContact O-N 3.22Å; E797-W801 WeakPolarHBondContact O-CB 3.4Å; E797-W801 PolarHBondContact O-N 3.49Å |
| 798 | A | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P647 T735 S794 Q795 L796 L802 | P647-A798 HydrophobicContact CB-CB 3.54Å; P647-A798 HydrophobicContact CG-CB 4.47Å; T735-A798 HydrophobicContact CG2-CB 3.61Å; S794-A798 PolarHBondContact O-N 3.16Å; S794-A798 VanDerWaalsContact O-N 3.13Å; Q795-A798 PolarHBondContact O-N 3.25Å; L796-A798 VanDerWaalsContact C-N 3.25Å; L796-A798 PolarHBondContact O-N 3.46Å; A798-L802 WeakPolarHBondContact O-CB 3.49Å; A798-L802 WeakPolarHBondContact O-CG 3.21Å; A798-L802 PolarHBondContact O-N 2.63Å; A798-L802 VanDerWaalsContact O-N 3.12Å |
| 799 | V | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | F739 L742 M766 V785 L789 Q795 L796 G803 L804 L805 | F739-V799 HydrophobicContact CD1-CG2 4.31Å; F739-V799 HydrophobicContact CE1-CG2 3.92Å; L742-V799 HydrophobicContact CD1-CG1 4.5Å; L742-V799 HydrophobicContact CD1-CG2 3.74Å; M766-V799 HydrophobicContact CE-CG1 4.39Å; V785-V799 HydrophobicContact CG1-CG1 4.29Å; L789-V799 HydrophobicContact CD1-CG2 4.45Å; Q795-V799 VanDerWaalsContact O-CG2 3.31Å; Q795-V799 WeakPolarHBondContact O-CG2 3.5Å; Q795-V799 PolarHBondContact O-N 3.03Å; Q795-V799 VanDerWaalsContact O-N 3.12Å; L796-V799 WeakPolarHBondContact O-CB 3.46Å; L796-V799 PolarHBondContact O-N 3.31Å; L796-V799 VanDerWaalsContact O-N 3.09Å; V799-G803 PolarHBondContact O-N 3.36Å; V799-L804 HydrophobicContact CG1-CB 3.87Å; V799-L804 HydrophobicContact CG1-CD1 4.35Å; V799-L804 PolarHBondContact O-N 3.01Å; V799-L804 VanDerWaalsContact O-N 3.1Å; V799-L805 HydrophobicContact CG1-CD2 3.7Å; V799-L805 HydrophobicContact CG1-CG 3.95Å |
| 800 | E | 96.8 | Very high | 96 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -47 | 176.2 | -71.6 | -173.5 | 119.5 | 0 | 0 | 112.1 | Y778 K782 L796 E797 L802 G803 L805 | Y778-E800 PolarHBondContact OH-OE1 3.48Å; K782-E800 WeakPolarHBondContact CD-OE1 3.45Å; K782-E800 WeakPolarHBondContact CE-OE1 3.32Å; K782-E800 VanDerWaalsContact NZ-CD 3.29Å; K782-E800 IonicContact NZ-OE1 2.79Å; K782-E800 PolarHBondContact NZ-OE1 2.87Å; K782-E800 IonicContact NZ-OE2 2.63Å; K782-E800 PolarHBondContact NZ-OE2 3.36Å; K782-E800 VanDerWaalsContact NZ-OE2 3.15Å; L796-E800 HydrophobicContact CG-CG 4.48Å; L796-E800 WeakPolarHBondContact O-CG 3.49Å; L796-E800 PolarHBondContact O-N 2.82Å; E797-E800 PolarHBondContact O-N 3.22Å; E800-L802 VanDerWaalsContact C-N 3.28Å; E800-L802 PolarHBondContact O-N 2.99Å; E800-G803 WeakPolarHBondContact O-CA 3.44Å; E800-G803 PolarHBondContact O-N 2.92Å; E800-L805 HydrophobicContact CG-CD1 3.79Å |
| 801 | W | 97.4 | Very high | 96 | Very high | 132 Ų | 132 | 50.3 Ų | 50.3 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.2 | -36.8 | -179.7 | -174.8 | 97.1 | 0 | 0 | 0 | 112.3 | N646 P647 E797 G803 L828 | N646-W801 HydrophobicContact CB-CH2 4.29Å; N646-W801 HydrophobicContact CB-CZ2 4.41Å; P647-W801 HydrophobicContact CG-CB 3.75Å; P647-W801 HydrophobicContact CG-CD2 3.59Å; P647-W801 HydrophobicContact CG-CE3 3.81Å; P647-W801 HydrophobicContact CG-CG 3.55Å; E797-W801 WeakPolarHBondContact O-CB 3.4Å; E797-W801 PolarHBondContact O-N 3.49Å; W801-G803 PolarHBondContact O-N 3.39Å; W801-L828 HydrophobicContact CH2-CD2 3.72Å; W801-L828 HydrophobicContact CZ3-CD2 3.72Å; W801-L828 HydrophobicContact CZ3-CG 4.27Å |
| 802 | L | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.6 | 174.3 | -73.9 | 171.4 | 0 | 0 | 0 | 113.5 | F739 A798 E800 L804 H823 M824 K827 L828 | F739-L802 HydrophobicContact CE1-CD1 4.18Å; F739-L802 HydrophobicContact CE2-CD1 4.28Å; F739-L802 HydrophobicContact CZ-CD1 3.49Å; F739-L802 VanDerWaalsContact CZ-CD1 3.49Å; A798-L802 WeakPolarHBondContact O-CB 3.49Å; A798-L802 WeakPolarHBondContact O-CG 3.21Å; A798-L802 PolarHBondContact O-N 2.63Å; A798-L802 VanDerWaalsContact O-N 3.12Å; E800-L802 VanDerWaalsContact C-N 3.28Å; E800-L802 PolarHBondContact O-N 2.99Å; L802-L804 VanDerWaalsContact C-N 3.32Å; L802-L804 HydrophobicContact CB-CD1 4.13Å; L802-L804 HydrophobicContact CB-CD2 4.27Å; L802-L804 HydrophobicContact CB-CG 3.75Å; L802-L804 HydrophobicContact CD1-CD1 4.2Å; L802-H823 PolarHBondContact O-NE2 3.29Å; L802-M824 HydrophobicContact CD1-CE 3.99Å; L802-K827 HydrophobicContact CD2-CB 4.11Å; L802-L828 HydrophobicContact CD2-CD1 4.16Å |
| 803 | G | 96.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V799 E800 W801 L805 G806 | V799-G803 PolarHBondContact O-N 3.36Å; E800-G803 WeakPolarHBondContact O-CA 3.44Å; E800-G803 PolarHBondContact O-N 2.92Å; W801-G803 PolarHBondContact O-N 3.39Å; G803-L805 PolarHBondContact O-N 3.04Å; G803-L805 VanDerWaalsContact O-N 3.1Å; G803-G806 PolarHBondContact O-N 3.18Å |
| 804 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -2.9 | -173.1 | -54.2 | 179.2 | 0 | 0 | 0 | 113.8 | F739 L744 W762 M766 V799 L802 L820 | F739-L804 HydrophobicContact CE1-CD1 4.32Å; L744-L804 HydrophobicContact CD1-CD1 3.97Å; W762-L804 HydrophobicContact CD2-CD2 3.62Å; W762-L804 HydrophobicContact CE3-CB 4.3Å; W762-L804 HydrophobicContact CE3-CD2 3.63Å; W762-L804 HydrophobicContact CG-CD2 4.33Å; W762-L804 HydrophobicContact CH2-CD2 3.88Å; W762-L804 HydrophobicContact CZ2-CD2 3.86Å; W762-L804 HydrophobicContact CZ3-CD2 3.76Å; M766-L804 HydrophobicContact CE-CB 4.02Å; V799-L804 HydrophobicContact CG1-CB 3.87Å; V799-L804 HydrophobicContact CG1-CD1 4.35Å; V799-L804 PolarHBondContact O-N 3.01Å; V799-L804 VanDerWaalsContact O-N 3.1Å; L802-L804 VanDerWaalsContact C-N 3.32Å; L802-L804 HydrophobicContact CB-CD1 4.13Å; L802-L804 HydrophobicContact CB-CD2 4.27Å; L802-L804 HydrophobicContact CB-CG 3.75Å; L802-L804 HydrophobicContact CD1-CD1 4.2Å; L804-L820 HydrophobicContact CD1-CD1 4.19Å; L804-L820 HydrophobicContact CD2-CD1 4.11Å |
| 805 | L | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 1.4 | 173.1 | -51 | -171.2 | 0 | 0 | 0 | 112.8 | M766 Y778 L781 V785 L796 V799 E800 G803 | M766-L805 HydrophobicContact CB-CD2 4.37Å; M766-L805 HydrophobicContact CE-CD2 4.47Å; M766-L805 HydrophobicContact CG-CD2 3.73Å; Y778-L805 HydrophobicContact CE2-CB 3.82Å; L781-L805 HydrophobicContact CD2-CB 4.34Å; L781-L805 HydrophobicContact CD2-CD2 4.36Å; L781-L805 HydrophobicContact CG-CD2 4.36Å; V785-L805 HydrophobicContact CG1-CD2 4.4Å; V785-L805 HydrophobicContact CG2-CD2 3.82Å; L796-L805 HydrophobicContact CD1-CD1 4.44Å; V799-L805 HydrophobicContact CG1-CD2 3.7Å; V799-L805 HydrophobicContact CG1-CG 3.95Å; E800-L805 HydrophobicContact CG-CD1 3.79Å; G803-L805 PolarHBondContact O-N 3.04Å; G803-L805 VanDerWaalsContact O-N 3.1Å |
| 806 | G | 93.8 | Very high | 95.2 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -96.6 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K763 G803 E808 | K763-G806 WeakPolarHBondContact CB-O 3.45Å; K763-G806 PolarHBondContact N-O 3.35Å; G803-G806 PolarHBondContact O-N 3.18Å; G806-E808 PolarHBondContact O-N 3.25Å |
| 807 | D | 94.3 | Very high | 95.1 | Very high | 120 Ų | 120 | 42.5 Ų | 42.5 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -83.4 | 12.5 | 179.7 | -56 | -53.2 | 0 | 0 | 0 | 113 | T761 K763 | T761-D807 WeakPolarHBondContact CG2-O 3.5Å; K763-D807 WeakPolarHBondContact CD-OD1 3.42Å |
| 808 | E | 94.7 | Very high | 95 | Very high | 77 Ų | 77 | 37 Ų | 37 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 136.3 | 172.9 | -69.4 | -175.6 | -165.6 | 0 | 0 | 109.9 | T761 W762 G806 H823 K827 | T761-E808 WeakPolarHBondContact CA-O 3.46Å; W762-E808 PolarHBondContact N-O 3.1Å; G806-E808 PolarHBondContact O-N 3.25Å; E808-H823 IonicContact OE2-CE1 2.75Å; E808-H823 PolarHBondContact OE2-CE1 3.31Å; E808-H823 VanDerWaalsContact OE2-CE1 3.32Å; E808-K827 VanDerWaalsContact CD-NZ 3.27Å; E808-K827 IonicContact OE1-NZ 3.86Å; E808-K827 PolarHBondContact OE1-NZ 2.94Å; E808-K827 WeakPolarHBondContact OE2-CE 3.43Å; E808-K827 IonicContact OE2-NZ 3.75Å; E808-K827 PolarHBondContact OE2-NZ 3.22Å |
| 809 | P | 94.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 37 Ų | 37 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | B | Isolated β-bridge | trans | -68.2 | 139.2 | 179.2 | 28 | -34 | 0 | 0 | 0 | 111.1 | ||
| 810 | V | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 129.2 | 174.4 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | L753 L760 W762 L765 A812 A819 | L753-V810 HydrophobicContact CD2-CB 3.92Å; L753-V810 HydrophobicContact CD2-CG1 3.48Å; L753-V810 VanDerWaalsContact CD2-CG1 3.48Å; L760-V810 WeakPolarHBondContact O-CG2 3.2Å; L760-V810 PolarHBondContact O-N 2.96Å; W762-V810 HydrophobicContact CB-CG2 4.44Å; W762-V810 HydrophobicContact CD2-CG2 3.83Å; W762-V810 HydrophobicContact CE3-CG2 4.21Å; W762-V810 HydrophobicContact CG-CG2 3.93Å; W762-V810 HydrophobicContact CH2-CG1 4.36Å; W762-V810 HydrophobicContact CZ2-CG1 4.1Å; L765-V810 HydrophobicContact CB-CG2 4.22Å; L765-V810 HydrophobicContact CD2-CG1 4.15Å; L765-V810 HydrophobicContact CD2-CG2 4.01Å; V810-A812 PolarHBondContact O-N 3.29Å; V810-A819 HydrophobicContact CG1-CB 3.59Å |
| 811 | P | 94 | Very high | 94.7 | Very high | 27 Ų | 27 | 34.6 Ų | 34.6 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 134.9 | 175.5 | -24.7 | 34.6 | 0 | 0 | 0 | 112.1 | A813 A819 K822 H823 | P811-A813 PolarHBondContact O-N 2.89Å; P811-A819 WeakPolarHBondContact O-CB 2.99Å; P811-K822 HydrophobicContact CB-CB 3.71Å; P811-K822 HydrophobicContact CB-CD 4.03Å; P811-K822 HydrophobicContact CG-CB 4.04Å; P811-H823 HydrophobicContact CG-CB 4.19Å |
| 812 | A | 91.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 33 Ų | 33 | 40% | 0.397 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 130.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L753 V810 K822 | L753-A812 CarbonylContact O-C 3.49Å; L753-A812 VanDerWaalsContact O-CA 3.25Å; L753-A812 WeakPolarHBondContact O-CA 3.46Å; V810-A812 PolarHBondContact O-N 3.29Å; A812-K822 PolarHBondContact O-NZ 2.87Å |
| 813 | A | 90.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | trans | -162 | 162.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L753 P811 S815 A819 | L753-A813 CarbonylContact C-O 3.54Å; L753-A813 WeakPolarHBondContact CB-O 3.5Å; L753-A813 PolarHBondContact O-N 3.14Å; P811-A813 PolarHBondContact O-N 2.89Å; A813-S815 VanDerWaalsContact C-N 3.29Å; A813-S815 PolarHBondContact O-N 3.36Å; A813-A819 HydrophobicContact CB-CB 4Å; A813-A819 VanDerWaalsContact CB-N 3.33Å | ||
| 814 | D | 90.2 | Very high | 94.3 | Very high | 146 Ų | 146 | 32.5 Ų | 32.5 | 78% | 0.781 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -72.7 | -22.9 | 179.9 | -60 | -33 | 0 | 0 | 0 | 112.8 | P749 Y750 | P749-D814 CarbonylContact C-O 3.6Å; P749-D814 VanDerWaalsContact CA-O 3.24Å; P749-D814 WeakPolarHBondContact CA-O 3.27Å; Y750-D814 PolarHBondContact N-O 3Å |
| 815 | S | 94.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -144.2 | 163.5 | -176.8 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | P747 D748 A813 V817 G818 A819 | P747-S815 VanDerWaalsContact O-CB 3.24Å; P747-S815 WeakPolarHBondContact O-CB 3.31Å; D748-S815 WeakPolarHBondContact O-CB 3.12Å; A813-S815 VanDerWaalsContact C-N 3.29Å; A813-S815 PolarHBondContact O-N 3.36Å; S815-V817 PolarHBondContact O-N 3.37Å; S815-G818 PolarHBondContact O-N 2.99Å; S815-G818 VanDerWaalsContact O-N 3.16Å; S815-G818 PolarHBondContact OG-N 3.44Å; S815-A819 PolarHBondContact O-N 2.95Å |
| 816 | I | 95.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | -179.6 | -63.1 | 163.5 | 0 | 0 | 0 | 110.8 | L744 N746 Y750 L753 L769 G818 A819 L820 | L744-I816 HydrophobicContact CD2-CG2 4.14Å; N746-I816 HydrophobicContact CB-CD1 4.39Å; Y750-I816 HydrophobicContact CD1-CG1 4.48Å; Y750-I816 HydrophobicContact CD2-CD1 3.73Å; Y750-I816 HydrophobicContact CD2-CG1 3.99Å; Y750-I816 HydrophobicContact CE2-CD1 3.99Å; Y750-I816 HydrophobicContact CG-CD1 4.22Å; Y750-I816 HydrophobicContact CG-CG1 3.95Å; L753-I816 HydrophobicContact CD1-CG1 4.12Å; L769-I816 HydrophobicContact CD2-CD1 3.96Å; I816-G818 VanDerWaalsContact C-N 3.26Å; I816-G818 PolarHBondContact O-N 3.23Å; I816-A819 PolarHBondContact O-N 3.42Å; I816-L820 WeakPolarHBondContact O-CB 3.44Å; I816-L820 PolarHBondContact O-N 2.92Å |
| 817 | V | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -32.2 | 177.4 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | L660 L661 L744 I745 N746 P747 S815 A821 | L660-V817 HydrophobicContact CB-CG2 3.88Å; L660-V817 HydrophobicContact CD1-CG2 4.19Å; L661-V817 HydrophobicContact CD2-CG1 4Å; L661-V817 HydrophobicContact CD2-CG2 4.23Å; L661-V817 HydrophobicContact CG-CG2 4.38Å; L744-V817 WeakPolarHBondContact O-CA 3.29Å; L744-V817 PolarHBondContact O-N 3.21Å; I745-V817 HydrophobicContact CG2-CG2 4.26Å; N746-V817 WeakPolarHBondContact O-CB 3.23Å; N746-V817 VanDerWaalsContact O-CG1 3.28Å; N746-V817 WeakPolarHBondContact O-CG1 3.48Å; N746-V817 PolarHBondContact O-N 2.94Å; N746-V817 VanDerWaalsContact O-N 3.1Å; P747-V817 HydrophobicContact CB-CG1 4.34Å; S815-V817 PolarHBondContact O-N 3.37Å; V817-A821 VanDerWaalsContact O-CB 3.3Å; V817-A821 WeakPolarHBondContact O-CB 3.39Å; V817-A821 PolarHBondContact O-N 3Å |
| 818 | G | 94.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S815 I816 A821 K822 | S815-G818 PolarHBondContact O-N 2.99Å; S815-G818 VanDerWaalsContact O-N 3.16Å; S815-G818 PolarHBondContact OG-N 3.44Å; I816-G818 VanDerWaalsContact C-N 3.26Å; I816-G818 PolarHBondContact O-N 3.23Å; G818-A821 PolarHBondContact O-N 3.36Å; G818-K822 WeakPolarHBondContact O-CG 3.36Å; G818-K822 PolarHBondContact O-N 3.34Å |
| 819 | A | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L753 V810 P811 A813 S815 I816 A821 K822 H823 | L753-A819 HydrophobicContact CD1-CB 3.96Å; V810-A819 HydrophobicContact CG1-CB 3.59Å; P811-A819 WeakPolarHBondContact O-CB 2.99Å; A813-A819 HydrophobicContact CB-CB 4Å; A813-A819 VanDerWaalsContact CB-N 3.33Å; S815-A819 PolarHBondContact O-N 2.95Å; I816-A819 PolarHBondContact O-N 3.42Å; A819-A821 VanDerWaalsContact C-N 3.32Å; A819-A821 PolarHBondContact O-N 3.27Å; A819-K822 PolarHBondContact O-N 2.74Å; A819-H823 WeakPolarHBondContact O-CB 3.32Å; A819-H823 PolarHBondContact O-N 3.5Å |
| 820 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.6 | -176.4 | 69 | 0 | 0 | 0 | 111.6 | L660 L744 I745 W762 L804 I816 K822 H823 M824 | L660-L820 HydrophobicContact CD1-CD2 4.16Å; L660-L820 HydrophobicContact CD1-CG 4.34Å; L744-L820 HydrophobicContact CB-CD2 4.12Å; I745-L820 HydrophobicContact CD1-CD2 3.82Å; W762-L820 HydrophobicContact CH2-CB 4.26Å; W762-L820 HydrophobicContact CH2-CD1 3.94Å; L804-L820 HydrophobicContact CD1-CD1 4.19Å; L804-L820 HydrophobicContact CD2-CD1 4.11Å; I816-L820 WeakPolarHBondContact O-CB 3.44Å; I816-L820 PolarHBondContact O-N 2.92Å; L820-K822 PolarHBondContact O-N 3.38Å; L820-H823 WeakPolarHBondContact O-CB 3.23Å; L820-H823 PolarHBondContact O-N 3.34Å; L820-M824 HydrophobicContact CD1-CE 4.07Å; L820-M824 HydrophobicContact CD1-CG 4.48Å; L820-M824 HydrophobicContact CD2-CE 4.05Å; L820-M824 HydrophobicContact CG-CE 4.03Å; L820-M824 HydrophobicContact CG-CG 4.41Å; L820-M824 HydrophobicContact CG-SD 4.29Å; L820-M824 WeakPolarHBondContact O-CB 3.48Å; L820-M824 WeakPolarHBondContact O-CG 3.34Å; L820-M824 PolarHBondContact O-N 2.88Å |
| 821 | A | 94.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P656 Q657 L660 V817 G818 A819 H823 M824 E825 | P656-A821 HydrophobicContact CB-CB 4.08Å; P656-A821 WeakPolarHBondContact CG-O 3.32Å; Q657-A821 HydrophobicContact CB-CB 3.78Å; L660-A821 HydrophobicContact CD1-CB 3.99Å; V817-A821 VanDerWaalsContact O-CB 3.3Å; V817-A821 WeakPolarHBondContact O-CB 3.39Å; V817-A821 PolarHBondContact O-N 3Å; G818-A821 PolarHBondContact O-N 3.36Å; A819-A821 VanDerWaalsContact C-N 3.32Å; A819-A821 PolarHBondContact O-N 3.27Å; A821-H823 VanDerWaalsContact C-N 3.3Å; A821-H823 PolarHBondContact O-N 3.15Å; A821-M824 PolarHBondContact O-N 3.3Å; A821-E825 PolarHBondContact O-N 3.44Å |
| 822 | K | 93 | Very high | 92.8 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 43% | 0.426 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 175.7 | -70 | 179.6 | -178.5 | -174.8 | 0 | 112.1 | P811 A812 G818 A819 L820 E825 I826 | P811-K822 HydrophobicContact CB-CB 3.71Å; P811-K822 HydrophobicContact CB-CD 4.03Å; P811-K822 HydrophobicContact CG-CB 4.04Å; A812-K822 PolarHBondContact O-NZ 2.87Å; G818-K822 WeakPolarHBondContact O-CG 3.36Å; G818-K822 PolarHBondContact O-N 3.34Å; A819-K822 PolarHBondContact O-N 2.74Å; L820-K822 PolarHBondContact O-N 3.38Å; K822-E825 PolarHBondContact O-N 3.43Å; K822-I826 WeakPolarHBondContact O-CG1 3.4Å; K822-I826 PolarHBondContact O-N 2.58Å |
| 823 | H | 95.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 177.4 | -168.4 | 77.3 | 0 | 0 | 0 | 112.4 | W762 L802 E808 P811 A819 L820 A821 E825 I826 K827 | W762-H823 AromaticContact CD1-CE1 3.73Å; W762-H823 AromaticContact CD1-ND1 4Å; W762-H823 AromaticContact CE2-CG 3.81Å; W762-H823 AromaticContact CE2-ND1 3.82Å; W762-H823 HydrophobicContact CZ2-CB 3.64Å; W762-H823 AromaticContact CZ2-CG 3.69Å; W762-H823 AromaticContact NE1-CD2 3.9Å; W762-H823 AromaticContact NE1-CE1 3.17Å; W762-H823 PolarHBondContact NE1-CE1 3.42Å; W762-H823 AromaticContact NE1-CG 3.52Å; W762-H823 AromaticContact NE1-ND1 3.04Å; W762-H823 PolarHBondContact NE1-ND1 3.18Å; W762-H823 AromaticContact NE1-NE2 3.69Å; L802-H823 PolarHBondContact O-NE2 3.29Å; E808-H823 IonicContact OE2-CE1 2.75Å; E808-H823 PolarHBondContact OE2-CE1 3.31Å; E808-H823 VanDerWaalsContact OE2-CE1 3.32Å; P811-H823 HydrophobicContact CG-CB 4.19Å; A819-H823 WeakPolarHBondContact O-CB 3.32Å; A819-H823 PolarHBondContact O-N 3.5Å; L820-H823 WeakPolarHBondContact O-CB 3.23Å; L820-H823 PolarHBondContact O-N 3.34Å; A821-H823 VanDerWaalsContact C-N 3.3Å; A821-H823 PolarHBondContact O-N 3.15Å; H823-E825 VanDerWaalsContact C-N 3.34Å; H823-E825 PolarHBondContact O-N 2.7Å; H823-I826 WeakPolarHBondContact O-CB 3.4Å; H823-I826 PolarHBondContact O-N 2.89Å; H823-K827 WeakPolarHBondContact O-CG 3.43Å; H823-K827 PolarHBondContact O-N 3.38Å |
| 824 | M | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 176.1 | -75.5 | -174 | 169.9 | 0 | 0 | 113 | L648 F652 P656 L660 F739 L802 L820 A821 I826 K827 L828 | L648-M824 HydrophobicContact CD1-CE 3.79Å; L648-M824 HydrophobicContact CD1-SD 4.28Å; F652-M824 HydrophobicContact CD2-CB 4.32Å; F652-M824 HydrophobicContact CE2-CB 3.9Å; F652-M824 HydrophobicContact CE2-CG 4.48Å; F652-M824 HydrophobicContact CE2-SD 4.07Å; F652-M824 HydrophobicContact CZ-SD 4.14Å; P656-M824 HydrophobicContact CB-CB 4.43Å; P656-M824 HydrophobicContact CG-CB 4.15Å; L660-M824 HydrophobicContact CD1-SD 4.07Å; L660-M824 HydrophobicContact CD2-CE 4.24Å; L660-M824 HydrophobicContact CD2-SD 3.8Å; L660-M824 HydrophobicContact CG-SD 4.43Å; F739-M824 HydrophobicContact CD2-CE 3.97Å; F739-M824 HydrophobicContact CE2-CE 3.37Å; F739-M824 HydrophobicContact CZ-CE 4.02Å; L802-M824 HydrophobicContact CD1-CE 3.99Å; L820-M824 HydrophobicContact CD1-CE 4.07Å; L820-M824 HydrophobicContact CD1-CG 4.48Å; L820-M824 HydrophobicContact CD2-CE 4.05Å; L820-M824 HydrophobicContact CG-CE 4.03Å; L820-M824 HydrophobicContact CG-CG 4.41Å; L820-M824 HydrophobicContact CG-SD 4.29Å; L820-M824 WeakPolarHBondContact O-CB 3.48Å; L820-M824 WeakPolarHBondContact O-CG 3.34Å; L820-M824 PolarHBondContact O-N 2.88Å; A821-M824 PolarHBondContact O-N 3.3Å; M824-I826 PolarHBondContact O-N 2.71Å; M824-K827 PolarHBondContact O-N 2.99Å; M824-L828 WeakPolarHBondContact O-CB 3.34Å; M824-L828 PolarHBondContact O-N 3Å |
| 825 | E | 90.9 | Very high | 92.9 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -33.8 | 173.9 | -170.1 | 167.6 | -156.4 | 0 | 0 | 111.5 | P656 A821 K822 H823 | P656-E825 HydrophobicContact CG-CB 4.29Å; A821-E825 PolarHBondContact O-N 3.44Å; K822-E825 PolarHBondContact O-N 3.43Å; H823-E825 VanDerWaalsContact C-N 3.34Å; H823-E825 PolarHBondContact O-N 2.7Å |
| 826 | I | 91.4 | Very high | 93 | Very high | 122 Ų | 122 | 41.5 Ų | 41.5 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -77.4 | -41.7 | 175.2 | -61.9 | 164.5 | 0 | 0 | 0 | 111.8 | K822 H823 M824 P829 | K822-I826 WeakPolarHBondContact O-CG1 3.4Å; K822-I826 PolarHBondContact O-N 2.58Å; H823-I826 WeakPolarHBondContact O-CB 3.4Å; H823-I826 PolarHBondContact O-N 2.89Å; M824-I826 PolarHBondContact O-N 2.71Å; I826-P829 VanDerWaalsContact O-CD 3.32Å; I826-P829 WeakPolarHBondContact O-CD 3.3Å |
| 827 | K | 94.1 | Very high | 93 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -84.1 | -25.7 | -173 | -66 | -69.9 | -173.9 | 178.8 | 0 | 114.3 | L802 E808 H823 M824 | L802-K827 HydrophobicContact CD2-CB 4.11Å; E808-K827 VanDerWaalsContact CD-NZ 3.27Å; E808-K827 IonicContact OE1-NZ 3.86Å; E808-K827 PolarHBondContact OE1-NZ 2.94Å; E808-K827 WeakPolarHBondContact OE2-CE 3.43Å; E808-K827 IonicContact OE2-NZ 3.75Å; E808-K827 PolarHBondContact OE2-NZ 3.22Å; H823-K827 WeakPolarHBondContact O-CG 3.43Å; H823-K827 PolarHBondContact O-N 3.38Å; M824-K827 PolarHBondContact O-N 2.99Å |
| 828 | L | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -127.1 | 44 | -174.2 | -65.2 | 165.7 | 0 | 0 | 0 | 113.9 | N646 L648 K651 F652 W801 L802 M824 | N646-L828 HydrophobicContact CB-CD2 3.98Å; L648-L828 HydrophobicContact CD1-CD1 3.61Å; K651-L828 WeakPolarHBondContact CA-O 3.08Å; F652-L828 HydrophobicContact CD2-CB 3.94Å; F652-L828 HydrophobicContact CE2-CB 4.29Å; F652-L828 HydrophobicContact CE2-CD1 4.01Å; F652-L828 PolarHBondContact N-O 3.49Å; W801-L828 HydrophobicContact CH2-CD2 3.72Å; W801-L828 HydrophobicContact CZ3-CD2 3.72Å; W801-L828 HydrophobicContact CZ3-CG 4.27Å; L802-L828 HydrophobicContact CD2-CD1 4.16Å; M824-L828 WeakPolarHBondContact O-CB 3.34Å; M824-L828 PolarHBondContact O-N 3Å |
| 829 | P | 92.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 40% | 0.403 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -73.3 | 162.5 | 170.9 | 34.6 | -36.1 | 0 | 0 | 0 | 110.8 | I826 | I826-P829 VanDerWaalsContact O-CD 3.32Å; I826-P829 WeakPolarHBondContact O-CD 3.3Å |
| 830 | F | 90.5 | Very high | 93.5 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 23% | 0.228 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 129.5 | 160 | -74.9 | -88.4 | 0 | 0 | 0 | 109.4 | P639 K651 E834 D836 | P639-F830 HydrophobicContact CB-CE1 4.08Å; P639-F830 HydrophobicContact CB-CZ 4.29Å; K651-F830 HydrophobicContact CB-CD1 4.3Å; K651-F830 HydrophobicContact CB-CD2 3.9Å; K651-F830 HydrophobicContact CB-CE1 3.99Å; K651-F830 HydrophobicContact CB-CE2 3.56Å; K651-F830 HydrophobicContact CB-CG 4.26Å; K651-F830 HydrophobicContact CB-CZ 3.61Å; K651-F830 HydrophobicContact CD-CD1 4.08Å; K651-F830 HydrophobicContact CD-CE1 4.21Å; K651-F830 HydrophobicContact CD-CG 4.44Å; F830-E834 HydrophobicContact CD1-CB 4.17Å; F830-D836 HydrophobicContact CE1-CB 3.85Å; F830-D836 HydrophobicContact CE2-CB 4.36Å; F830-D836 HydrophobicContact CZ-CB 3.58Å |
| 831 | G | 88 | Confident | 93.5 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 171.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G833 E834 | G831-G833 PolarHBondContact O-N 2.9Å; G831-E834 PolarHBondContact N-OE2 3.47Å; G831-E834 WeakPolarHBondContact O-CB 3.49Å; G831-E834 PolarHBondContact O-N 3.22Å; G831-E834 VanDerWaalsContact O-N 3.17Å |
| 832 | T | 86.3 | Confident | 93.6 | Very high | 157 Ų | 157 | 42.1 Ų | 42.1 | 96% | 0.963 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.5 | 178.4 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | E834 | T832-E834 PolarHBondContact O-N 3.44Š|
| 833 | G | 86.6 | Confident | 93.8 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -9.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G831 S866 | G831-G833 PolarHBondContact O-N 2.9Å; G833-S866 PolarHBondContact O-OG 3.08Å; G833-S866 VanDerWaalsContact O-OG 3.07Å |
| 834 | E | 93.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | trans | -70.4 | 148 | 172.6 | -59.1 | -166.9 | 133.2 | 0 | 0 | 111 | Y643 K651 F830 G831 T832 | Y643-E834 HydrophobicContact CD1-CB 4.07Å; Y643-E834 HydrophobicContact CD1-CG 3.65Å; Y643-E834 WeakPolarHBondContact CD1-OE1 3.39Å; Y643-E834 HydrophobicContact CD2-CB 4.09Å; Y643-E834 HydrophobicContact CE1-CB 4.22Å; Y643-E834 HydrophobicContact CE1-CG 3.75Å; Y643-E834 HydrophobicContact CE2-CB 4.25Å; Y643-E834 HydrophobicContact CG-CB 4.02Å; Y643-E834 HydrophobicContact CG-CG 4.09Å; K651-E834 IonicContact NZ-OE1 3.3Å; K651-E834 PolarHBondContact NZ-OE1 3.44Å; K651-E834 IonicContact NZ-OE2 3.45Å; K651-E834 PolarHBondContact NZ-OE2 3.2Å; F830-E834 HydrophobicContact CD1-CB 4.17Å; G831-E834 PolarHBondContact N-OE2 3.47Å; G831-E834 WeakPolarHBondContact O-CB 3.49Å; G831-E834 PolarHBondContact O-N 3.22Å; G831-E834 VanDerWaalsContact O-N 3.17Å; T832-E834 PolarHBondContact O-N 3.44Å | ||
| 835 | R | 94.1 | Very high | 94 | Very high | 73 Ų | 73 | 40.3 Ų | 40.3 | 28% | 0.275 | 22% | 0.22 | S | C | . | . | trans | -122.6 | 145.6 | -175 | -57.7 | -176.1 | -65.5 | 158 | 7.5 | 111.2 | A640 E642 Y643 G864 S866 | A640-R835 HydrophobicContact CB-CB 4.4Å; A640-R835 WeakPolarHBondContact CB-O 3.45Å; A640-R835 PolarHBondContact N-O 2.9Å; E642-R835 IonicContact OE1-NH2 3.98Å; E642-R835 PolarHBondContact OE1-NH2 3.09Å; E642-R835 VanDerWaalsContact OE1-NH2 3.11Å; Y643-R835 HydrophobicContact CE2-CB 4.4Å; R835-G864 WeakPolarHBondContact CD-O 3.47Å; R835-S866 WeakPolarHBondContact CD-OG 3.45Å; R835-S866 WeakPolarHBondContact CG-OG 3.28Å | ||
| 836 | D | 95.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 174.4 | 166.7 | 71.1 | -33.5 | 0 | 0 | 0 | 111 | L638 F830 G864 S870 A871 M872 | L638-D836 CarbonylContact O-C 3.54Å; L638-D836 VanDerWaalsContact O-CA 3.31Å; L638-D836 WeakPolarHBondContact O-CA 3.31Å; L638-D836 WeakPolarHBondContact O-CB 3.15Å; F830-D836 HydrophobicContact CE1-CB 3.85Å; F830-D836 HydrophobicContact CE2-CB 4.36Å; F830-D836 HydrophobicContact CZ-CB 3.58Å; D836-G864 PolarHBondContact O-N 2.79Å; D836-G864 WeakPolarHBondContact OD1-CA 3.43Å; D836-S870 WeakPolarHBondContact OD1-CA 3.37Å; D836-S870 WeakPolarHBondContact OD1-CB 3.41Å; D836-S870 WeakPolarHBondContact OD2-CB 3.46Å; D836-A871 VanDerWaalsContact CG-N 3.3Å; D836-A871 PolarHBondContact OD1-N 3.04Å; D836-A871 PolarHBondContact OD2-N 3.45Å; D836-M872 WeakPolarHBondContact OD2-CB 3.4Å; D836-M872 PolarHBondContact OD2-N 3.29Å |
| 837 | M | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.4 | -179 | -178.5 | -178.9 | 63.6 | 0 | 0 | 109.1 | G637 L638 P641 L697 Y729 V839 V861 V862 Y863 | G637-M837 WeakPolarHBondContact CA-O 3.47Å; L638-M837 HydrophobicContact CB-CE 4.45Å; L638-M837 HydrophobicContact CD1-CE 4.23Å; L638-M837 PolarHBondContact N-O 3.1Å; L638-M837 PolarHBondContact O-N 3.12Å; P641-M837 HydrophobicContact CG-CE 4.43Å; L697-M837 HydrophobicContact CD1-CE 4.18Å; L697-M837 HydrophobicContact CD1-SD 4.48Å; L697-M837 HydrophobicContact CD2-CE 4.22Å; Y729-M837 WeakPolarHBondContact OH-CE 3.48Å; M837-V839 HydrophobicContact CE-CG2 3.6Å; M837-V839 HydrophobicContact CG-CG2 4.04Å; M837-V839 HydrophobicContact SD-CG2 3.9Å; M837-V861 HydrophobicContact CG-CG1 4.42Å; M837-V861 HydrophobicContact SD-CG1 4.39Å; M837-V862 CarbonylContact C-O 3.46Å; M837-V862 VanDerWaalsContact CA-O 3.25Å; M837-V862 WeakPolarHBondContact CA-O 3.09Å; M837-Y863 HydrophobicContact CB-CD1 4.1Å; M837-Y863 HydrophobicContact CB-CE1 4.12Å; M837-Y863 HydrophobicContact CG-CD1 4.11Å; M837-Y863 HydrophobicContact CG-CE1 3.86Å; M837-Y863 HydrophobicContact CG-CE2 4.48Å; M837-Y863 HydrophobicContact SD-CD1 4.38Å; M837-Y863 HydrophobicContact SD-CE1 3.55Å; M837-Y863 VanDerWaalsContact SD-CE1 3.55Å; M837-Y863 HydrophobicContact SD-CE2 4.25Å; M837-Y863 PolarHBondContact SD-OH 3.13Å; M837-Y863 VanDerWaalsContact SD-OH 3.36Å |
| 838 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.4 | 164.8 | -62.5 | -49.6 | 0 | 0 | 0 | 108.5 | L605 G636 G637 L860 V861 V862 A871 M872 T875 | L605-I838 HydrophobicContact CD1-CG2 3.69Å; L605-I838 HydrophobicContact CD2-CB 4.47Å; L605-I838 HydrophobicContact CD2-CD1 3.52Å; L605-I838 HydrophobicContact CD2-CG1 3.91Å; L605-I838 HydrophobicContact CD2-CG2 3.71Å; L605-I838 HydrophobicContact CG-CG2 4.35Å; G636-I838 WeakPolarHBondContact O-CA 3.37Å; G637-I838 VanDerWaalsContact CA-CD1 3.47Å; I838-L860 HydrophobicContact CG2-CD2 3.7Å; I838-V861 VanDerWaalsContact O-CA 3.3Å; I838-V861 WeakPolarHBondContact O-CA 3.31Å; I838-V862 HydrophobicContact CB-CB 4.32Å; I838-V862 PolarHBondContact N-O 2.79Å; I838-V862 PolarHBondContact O-N 2.78Å; I838-A871 HydrophobicContact CB-CB 4.42Å; I838-A871 HydrophobicContact CG1-CB 3.77Å; I838-M872 HydrophobicContact CD1-CB 4.26Å; I838-M872 HydrophobicContact CD1-CE 3.53Å; I838-M872 HydrophobicContact CD1-SD 4.22Å; I838-T875 HydrophobicContact CG1-CG2 4.15Å |
| 839 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.9 | 168.3 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | C635 G636 F693 Y694 L697 L699 L727 M837 L860 | C635-V839 CarbonylContact C-O 3.09Å; C635-V839 WeakPolarHBondContact CA-O 3.44Å; G636-V839 PolarHBondContact N-O 3.32Å; G636-V839 PolarHBondContact O-N 3.17Å; F693-V839 HydrophobicContact CE2-CG1 4.35Å; Y694-V839 HydrophobicContact CD2-CG1 4.1Å; Y694-V839 HydrophobicContact CE2-CG1 3.62Å; L697-V839 HydrophobicContact CD1-CG2 4.2Å; L699-V839 HydrophobicContact CD1-CG1 4.37Å; L727-V839 HydrophobicContact CD1-CB 4.27Å; L727-V839 HydrophobicContact CD1-CG1 3.92Å; M837-V839 HydrophobicContact CE-CG2 3.6Å; M837-V839 HydrophobicContact CG-CG2 4.04Å; M837-V839 HydrophobicContact SD-CG2 3.9Å; V839-L860 CarbonylContact C-O 3.4Å; V839-L860 WeakPolarHBondContact CA-O 3.49Å |
| 840 | M | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.7 | 172.4 | -179.9 | -172.1 | -65.9 | 0 | 0 | 110.1 | L605 L609 D610 L613 F634 C635 L860 | L605-M840 HydrophobicContact CD1-CE 3.52Å; L605-M840 HydrophobicContact CG-CE 4.21Å; L609-M840 HydrophobicContact CB-CE 4.49Å; D610-M840 HydrophobicContact CB-CE 3.7Å; D610-M840 HydrophobicContact CB-SD 3.97Å; L613-M840 HydrophobicContact CD1-SD 3.99Å; F634-M840 CarbonylContact O-C 3.48Å; F634-M840 VanDerWaalsContact O-CA 3.28Å; F634-M840 WeakPolarHBondContact O-CA 3.49Å; C635-M840 HydrophobicContact CB-CB 4.39Å; C635-M840 HydrophobicContact CB-CE 4.15Å; C635-M840 HydrophobicContact CB-CG 4.26Å; M840-L860 HydrophobicContact CB-CB 4.23Å; M840-L860 HydrophobicContact CB-CD2 4.38Å; M840-L860 PolarHBondContact N-O 2.82Å; M840-L860 PolarHBondContact O-N 2.95Å |
| 841 | R | 96.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.4 | 177.3 | 176.6 | 73.8 | 168.3 | -162.7 | -0.6 | 108.5 | S633 F634 F693 E843 F857 I858 D859 H923 | S633-R841 WeakPolarHBondContact CA-O 3.42Å; F634-R841 PolarHBondContact N-O 3.15Å; F634-R841 PolarHBondContact O-N 3.04Å; F693-R841 HydrophobicContact CD1-CG 4.31Å; F693-R841 HydrophobicContact CD2-CB 4.48Å; F693-R841 HydrophobicContact CD2-CG 4.4Å; F693-R841 HydrophobicContact CE1-CB 4.36Å; F693-R841 HydrophobicContact CE1-CG 4.32Å; F693-R841 HydrophobicContact CE2-CB 4.06Å; F693-R841 HydrophobicContact CE2-CG 4.43Å; F693-R841 HydrophobicContact CG-CG 4.37Å; F693-R841 HydrophobicContact CZ-CB 4.01Å; F693-R841 HydrophobicContact CZ-CG 4.39Å; R841-E843 HydrophobicContact CG-CG 3.86Å; R841-E843 IonicContact CZ-OE1 2.82Å; R841-E843 IonicContact NE-OE1 2.75Å; R841-E843 PolarHBondContact NE-OE1 2.63Å; R841-E843 IonicContact NH2-OE1 2.7Å; R841-F857 VanDerWaalsContact CZ-CD1 3.42Å; R841-I858 WeakPolarHBondContact CA-O 3.46Å; R841-D859 WeakPolarHBondContact CD-OD1 3.45Å; R841-D859 IonicContact CZ-OD1 3.39Å; R841-D859 IonicContact NE-OD1 3.77Å; R841-D859 IonicContact NH1-OD1 2.66Å; R841-D859 PolarHBondContact NH1-OD1 3.27Å; R841-D859 IonicContact NH1-OD2 3.08Å; R841-D859 PolarHBondContact NH1-OD2 3.31Å; R841-H923 PolarHBondContact NH1-CE1 2.69Å; R841-H923 VanDerWaalsContact NH1-CE1 3.25Å |
| 842 | N | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.4 | 164.8 | -62.3 | -30.2 | 0 | 0 | 0 | 109.4 | T632 S633 F857 I858 | T632-N842 CarbonylContact O-C 3.32Å; T632-N842 WeakPolarHBondContact O-CA 3.49Å; S633-N842 WeakPolarHBondContact CB-OD1 3.46Å; S633-N842 PolarHBondContact OG-OD1 3Å; N842-F857 CarbonylContact O-C 3.58Å; N842-F857 VanDerWaalsContact O-CA 3.3Å; N842-F857 WeakPolarHBondContact O-CA 3.42Å; N842-I858 HydrophobicContact CB-CB 4.12Å; N842-I858 HydrophobicContact CB-CD1 4.32Å; N842-I858 HydrophobicContact CB-CG1 4.44Å; N842-I858 PolarHBondContact N-O 3.32Å; N842-I858 PolarHBondContact O-N 2.87Å |
| 843 | E | 96.5 | Very high | 95.1 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.4 | 175.7 | -42.7 | -159.7 | 147.7 | 0 | 0 | 108.6 | Y631 T632 R841 K856 F857 | Y631-E843 WeakPolarHBondContact CA-O 3.41Å; T632-E843 PolarHBondContact N-O 3.1Å; T632-E843 PolarHBondContact O-N 3.04Å; R841-E843 HydrophobicContact CG-CG 3.86Å; R841-E843 IonicContact CZ-OE1 2.82Å; R841-E843 IonicContact NE-OE1 2.75Å; R841-E843 PolarHBondContact NE-OE1 2.63Å; R841-E843 IonicContact NH2-OE1 2.7Å; E843-K856 CarbonylContact C-O 3.53Å; E843-K856 WeakPolarHBondContact CA-O 3.34Å; E843-F857 HydrophobicContact CB-CD1 3.99Å; E843-F857 HydrophobicContact CB-CE1 4.08Å; E843-F857 HydrophobicContact CG-CD1 3.76Å; E843-F857 HydrophobicContact CG-CE1 3.99Å |
| 844 | I | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.4 | -171.8 | -44.9 | -170.2 | 0 | 0 | 0 | 109 | C617 I628 S630 Y631 L846 K856 I858 | C617-I844 HydrophobicContact CB-CD1 3.82Å; I628-I844 HydrophobicContact CG2-CG2 4.06Å; S630-I844 WeakPolarHBondContact O-CA 3.19Å; Y631-I844 HydrophobicContact CD2-CD1 4.14Å; Y631-I844 HydrophobicContact CD2-CG1 4.03Å; Y631-I844 HydrophobicContact CE2-CD1 4.42Å; I844-L846 HydrophobicContact CG2-CD2 3.65Å; I844-L846 HydrophobicContact CG2-CG 4.41Å; I844-K856 PolarHBondContact N-O 3.06Å; I844-K856 PolarHBondContact O-N 2.91Å; I844-I858 HydrophobicContact CD1-CD1 4.38Å |
| 845 | G | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V629 S630 | V629-G845 WeakPolarHBondContact CG2-O 3.38Å; V629-G845 PolarHBondContact N-O 3.12Å; S630-G845 PolarHBondContact N-O 3.29Å; S630-G845 PolarHBondContact O-N 3.28Å; S630-G845 VanDerWaalsContact OG-CA 3.31Å; S630-G845 WeakPolarHBondContact OG-CA 3.11Å; S630-G845 PolarHBondContact OG-N 3.33Å |
| 846 | L | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.2 | -176.8 | -52.4 | 178.1 | 0 | 0 | 0 | 110 | A621 I628 I844 E854 K856 | A621-L846 HydrophobicContact CB-CD1 3.99Å; A621-L846 HydrophobicContact CB-CD2 3.71Å; A621-L846 HydrophobicContact CB-CG 4.43Å; I628-L846 HydrophobicContact CD1-CD2 4.47Å; I628-L846 HydrophobicContact CG1-CD2 3.97Å; I844-L846 HydrophobicContact CG2-CD2 3.65Å; I844-L846 HydrophobicContact CG2-CG 4.41Å; L846-E854 HydrophobicContact CB-CB 4.27Å; L846-E854 PolarHBondContact N-O 3.29Å; L846-E854 PolarHBondContact O-N 3.06Å; L846-K856 HydrophobicContact CD1-CB 4.25Å; L846-K856 HydrophobicContact CD1-CD 4.12Å |
| 847 | R | 96.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 32.5 Ų | 32.5 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.8 | 170.9 | -175.2 | 67.4 | 60.9 | -176.5 | -2.2 | 109.1 | A626 T627 V629 G851 | A626-R847 CarbonylContact C-O 3.48Å; A626-R847 VanDerWaalsContact CA-O 3.29Å; A626-R847 WeakPolarHBondContact CA-O 3.13Å; T627-R847 PolarHBondContact N-O 2.91Å; T627-R847 PolarHBondContact O-N 3.15Å; V629-R847 HydrophobicContact CG1-CB 3.75Å; R847-G851 VanDerWaalsContact CD-O 3.25Å; R847-G851 WeakPolarHBondContact CD-O 3.4Å; R847-G851 PolarHBondContact NH1-O 3.43Å |
| 848 | H | 94.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | trans | -77.7 | 157.9 | 178.3 | -76.3 | -93.8 | 0 | 0 | 0 | 112.1 | S850 G851 H852 E854 | H848-S850 PolarHBondContact O-N 3.07Å; H848-S850 VanDerWaalsContact O-N 3.11Å; H848-G851 PolarHBondContact O-N 3.19Å; H848-H852 WeakPolarHBondContact CB-CE1 3.44Å; H848-H852 AromaticContact CD2-CD2 3.75Å; H848-H852 AromaticContact CD2-CE1 3.64Å; H848-H852 AromaticContact CD2-NE2 3.14Å; H848-H852 PolarHBondContact CD2-NE2 2.62Å; H848-H852 AromaticContact CG-CE1 3.41Å; H848-H852 VanDerWaalsContact CG-CE1 3.41Å; H848-H852 AromaticContact CG-NE2 3.44Å; H848-H852 PolarHBondContact N-O 3.38Å; H848-H852 AromaticContact NE2-NE2 3.71Å; H848-E854 IonicContact CD2-OE2 2.63Å; H848-E854 IonicContact CE1-OE2 3.65Å; H848-E854 IonicContact NE2-OE2 3.18Å; H848-E854 PolarHBondContact NE2-OE2 2.92Å | ||
| 849 | P | 94 | Very high | 95.9 | Very high | 100 Ų | 100 | 33.4 Ų | 33.4 | 65% | 0.649 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.2 | 174.6 | -26.9 | 35 | 0 | 0 | 0 | 114.2 | G625 G851 | G625-P849 WeakPolarHBondContact O-CG 3.5Å; P849-G851 PolarHBondContact O-N 2.89Å |
| 850 | S | 91.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 33.5 Ų | 33.5 | 66% | 0.664 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -4.7 | 175.4 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | H848 H852 | H848-S850 PolarHBondContact O-N 3.07Å; H848-S850 VanDerWaalsContact O-N 3.11Å; S850-H852 PolarHBondContact OG-CE1 3.02Å; S850-H852 VanDerWaalsContact OG-CE1 3.23Å; S850-H852 PolarHBondContact OG-ND1 2.94Å |
| 851 | G | 90.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 95.3 | -18.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | R847 H848 P849 | R847-G851 VanDerWaalsContact CD-O 3.25Å; R847-G851 WeakPolarHBondContact CD-O 3.4Å; R847-G851 PolarHBondContact NH1-O 3.43Å; H848-G851 PolarHBondContact O-N 3.19Å; P849-G851 PolarHBondContact O-N 2.89Å |
| 852 | H | 92.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 151.2 | 178.6 | 72.9 | -88.4 | 0 | 0 | 0 | 112.3 | H848 S850 I926 | H848-H852 WeakPolarHBondContact CB-CE1 3.44Å; H848-H852 AromaticContact CD2-CD2 3.75Å; H848-H852 AromaticContact CD2-CE1 3.64Å; H848-H852 AromaticContact CD2-NE2 3.14Å; H848-H852 PolarHBondContact CD2-NE2 2.62Å; H848-H852 AromaticContact CG-CE1 3.41Å; H848-H852 VanDerWaalsContact CG-CE1 3.41Å; H848-H852 AromaticContact CG-NE2 3.44Å; H848-H852 PolarHBondContact N-O 3.38Å; H848-H852 AromaticContact NE2-NE2 3.71Å; S850-H852 PolarHBondContact OG-CE1 3.02Å; S850-H852 VanDerWaalsContact OG-CE1 3.23Å; S850-H852 PolarHBondContact OG-ND1 2.94Å; H852-I926 HydrophobicContact CB-CG2 4.23Å |
| 853 | L | 95.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.6 | 175.8 | -177 | 64 | 0 | 0 | 0 | 109.3 | V629 I926 K927 | V629-L853 HydrophobicContact CG2-CD1 3.65Å; L853-I926 WeakPolarHBondContact O-CA 3.14Å; L853-K927 PolarHBondContact N-O 2.83Å; L853-K927 PolarHBondContact O-N 3.49Å |
| 854 | E | 95.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.5 | 170 | 179.3 | -168.8 | 174.7 | 0 | 0 | 108.9 | L846 H848 S924 V925 | L846-E854 HydrophobicContact CB-CB 4.27Å; L846-E854 PolarHBondContact N-O 3.29Å; L846-E854 PolarHBondContact O-N 3.06Å; H848-E854 IonicContact CD2-OE2 2.63Å; H848-E854 IonicContact CE1-OE2 3.65Å; H848-E854 IonicContact NE2-OE2 3.18Å; H848-E854 PolarHBondContact NE2-OE2 2.92Å; E854-S924 WeakPolarHBondContact OE1-CB 3.44Å; E854-S924 PolarHBondContact OE1-OG 3.39Å; E854-V925 CarbonylContact C-O 3.25Å; E854-V925 WeakPolarHBondContact CA-O 3.41Å |
| 855 | E | 96.5 | Very high | 95.4 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.9 | 165.4 | -72.4 | -179.5 | 170.1 | 0 | 0 | 108.6 | F857 S924 V925 K927 | E855-F857 HydrophobicContact CB-CE2 3.89Å; E855-F857 HydrophobicContact CB-CZ 3.83Å; E855-S924 CarbonylContact O-C 3.57Å; E855-S924 WeakPolarHBondContact O-CA 3.34Å; E855-V925 PolarHBondContact N-O 3.5Å; E855-V925 PolarHBondContact O-N 3.4Å; E855-K927 VanDerWaalsContact CD-CE 3.5Å; E855-K927 IonicContact OE1-NZ 3.48Å; E855-K927 PolarHBondContact OE1-NZ 2.95Å; E855-K927 WeakPolarHBondContact OE2-CE 3.21Å; E855-K927 IonicContact OE2-NZ 3.44Å; E855-K927 PolarHBondContact OE2-NZ 3.14Å |
| 856 | K | 96.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.2 | -178.4 | -171.5 | 154.2 | 177.1 | 176.6 | 0 | 110.5 | C617 E843 I844 L846 T922 | C617-K856 WeakPolarHBondContact SG-CD 3.46Å; E843-K856 CarbonylContact C-O 3.53Å; E843-K856 WeakPolarHBondContact CA-O 3.34Å; I844-K856 PolarHBondContact N-O 3.06Å; I844-K856 PolarHBondContact O-N 2.91Å; L846-K856 HydrophobicContact CD1-CB 4.25Å; L846-K856 HydrophobicContact CD1-CD 4.12Å; K856-T922 HydrophobicContact CD-CG2 4.23Å; K856-T922 HydrophobicContact CG-CG2 3.96Å |
| 857 | F | 96.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | -174.5 | -57.1 | -76.9 | 0 | 0 | 0 | 109.8 | R841 N842 E843 E855 T922 H923 V925 | R841-F857 VanDerWaalsContact CZ-CD1 3.42Å; N842-F857 CarbonylContact O-C 3.58Å; N842-F857 VanDerWaalsContact O-CA 3.3Å; N842-F857 WeakPolarHBondContact O-CA 3.42Å; E843-F857 HydrophobicContact CB-CD1 3.99Å; E843-F857 HydrophobicContact CB-CE1 4.08Å; E843-F857 HydrophobicContact CG-CD1 3.76Å; E843-F857 HydrophobicContact CG-CE1 3.99Å; E855-F857 HydrophobicContact CB-CE2 3.89Å; E855-F857 HydrophobicContact CB-CZ 3.83Å; F857-T922 VanDerWaalsContact O-CA 3.25Å; F857-T922 WeakPolarHBondContact O-CA 3.46Å; F857-H923 WeakPolarHBondContact CB-CE1 3.27Å; F857-H923 WeakPolarHBondContact CB-NE2 3.43Å; F857-H923 AromaticContact CD2-CD2 3.44Å; F857-H923 VanDerWaalsContact CD2-CD2 3.44Å; F857-H923 WeakPolarHBondContact CD2-CD2 3.3Å; F857-H923 AromaticContact CD2-NE2 3.32Å; F857-H923 VanDerWaalsContact CD2-NE2 3.32Å; F857-H923 WeakPolarHBondContact CD2-NE2 3.49Å; F857-H923 AromaticContact CG-CD2 3.99Å; F857-H923 AromaticContact CG-CE1 3.97Å; F857-H923 AromaticContact CG-NE2 3.5Å; F857-H923 WeakPolarHBondContact CG-NE2 3.49Å; F857-H923 PolarHBondContact N-O 3.31Å; F857-H923 PolarHBondContact O-N 2.96Å; F857-V925 HydrophobicContact CE2-CB 4.26Å; F857-V925 HydrophobicContact CE2-CG2 3.88Å |
| 858 | I | 97.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.4 | 177 | -48 | 171.2 | 0 | 0 | 0 | 107.8 | L613 C617 R841 N842 I844 Y920 S921 T922 | L613-I858 HydrophobicContact CB-CG2 4.42Å; L613-I858 HydrophobicContact CD1-CG2 4.34Å; L613-I858 HydrophobicContact CD2-CG2 4.31Å; L613-I858 WeakPolarHBondContact O-CD1 2.9Å; C617-I858 HydrophobicContact CB-CD1 3.77Å; R841-I858 WeakPolarHBondContact CA-O 3.46Å; N842-I858 HydrophobicContact CB-CB 4.12Å; N842-I858 HydrophobicContact CB-CD1 4.32Å; N842-I858 HydrophobicContact CB-CG1 4.44Å; N842-I858 PolarHBondContact N-O 3.32Å; N842-I858 PolarHBondContact O-N 2.87Å; I844-I858 HydrophobicContact CD1-CD1 4.38Å; I858-Y920 HydrophobicContact CG2-CD2 3.78Å; I858-Y920 HydrophobicContact CG2-CE2 4.45Å; I858-Y920 HydrophobicContact CG2-CG 4.45Å; I858-S921 WeakPolarHBondContact CA-O 3.37Å; I858-T922 HydrophobicContact CG1-CG2 4.38Å |
| 859 | D | 97.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.08 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.5 | -173.7 | -71.7 | -40.2 | 0 | 0 | 0 | 110.3 | Y694 R841 Y920 S921 H923 | Y694-D859 WeakPolarHBondContact OH-CB 2.84Å; Y694-D859 PolarHBondContact OH-OD1 3.04Å; R841-D859 WeakPolarHBondContact CD-OD1 3.45Å; R841-D859 IonicContact CZ-OD1 3.39Å; R841-D859 IonicContact NE-OD1 3.77Å; R841-D859 IonicContact NH1-OD1 2.66Å; R841-D859 PolarHBondContact NH1-OD1 3.27Å; R841-D859 IonicContact NH1-OD2 3.08Å; R841-D859 PolarHBondContact NH1-OD2 3.31Å; D859-Y920 CarbonylContact O-C 3.49Å; D859-Y920 WeakPolarHBondContact O-CA 3.5Å; D859-Y920 WeakPolarHBondContact O-CB 3.49Å; D859-S921 PolarHBondContact N-O 3.38Å; D859-S921 PolarHBondContact O-N 3.09Å; D859-H923 IonicContact OD2-CE1 2.73Å; D859-H923 PolarHBondContact OD2-CE1 2.92Å; D859-H923 IonicContact OD2-ND1 2.79Å |
| 860 | L | 97.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.3 | 172.3 | 178 | 150.3 | 0 | 0 | 0 | 108.6 | L609 L613 I838 V839 M840 V862 I918 | L609-L860 HydrophobicContact CD1-CD1 4.25Å; L613-L860 HydrophobicContact CD1-CD1 4.06Å; I838-L860 HydrophobicContact CG2-CD2 3.7Å; V839-L860 CarbonylContact C-O 3.4Å; V839-L860 WeakPolarHBondContact CA-O 3.49Å; M840-L860 HydrophobicContact CB-CB 4.23Å; M840-L860 HydrophobicContact CB-CD2 4.38Å; M840-L860 PolarHBondContact N-O 2.82Å; M840-L860 PolarHBondContact O-N 2.95Å; L860-V862 HydrophobicContact CD2-CG2 3.79Å; L860-V862 HydrophobicContact CG-CG2 4.16Å; L860-I918 HydrophobicContact CD1-CG2 3.8Å |
| 861 | V | 97.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.8 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | Y694 M837 I838 Y863 | Y694-V861 HydrophobicContact CE2-CG2 4.26Å; M837-V861 HydrophobicContact CG-CG1 4.42Å; M837-V861 HydrophobicContact SD-CG1 4.39Å; I838-V861 VanDerWaalsContact O-CA 3.3Å; I838-V861 WeakPolarHBondContact O-CA 3.31Å; V861-Y863 HydrophobicContact CG1-CD2 4.35Å; V861-Y863 HydrophobicContact CG1-CE2 3.78Å |
| 862 | V | 97.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.3 | -178.1 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | M837 I838 L860 A871 T875 I918 | M837-V862 CarbonylContact C-O 3.46Å; M837-V862 VanDerWaalsContact CA-O 3.25Å; M837-V862 WeakPolarHBondContact CA-O 3.09Å; I838-V862 HydrophobicContact CB-CB 4.32Å; I838-V862 PolarHBondContact N-O 2.79Å; I838-V862 PolarHBondContact O-N 2.78Å; L860-V862 HydrophobicContact CD2-CG2 3.79Å; L860-V862 HydrophobicContact CG-CG2 4.16Å; V862-A871 HydrophobicContact CB-CB 4.2Å; V862-A871 HydrophobicContact CG1-CB 3.92Å; V862-A871 VanDerWaalsContact O-CB 3.24Å; V862-A871 WeakPolarHBondContact O-CB 3.35Å; V862-T875 HydrophobicContact CB-CG2 4.2Å; V862-T875 HydrophobicContact CG1-CG2 4.28Å; V862-T875 HydrophobicContact CG2-CG2 3.97Å; V862-I918 HydrophobicContact CG2-CG2 4.16Å |
| 863 | Y | 96 | Very high | 93.7 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 35% | 0.349 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 147.2 | 171.8 | -70.9 | -92.7 | 0 | 0 | 0 | 110.6 | A640 M837 V861 K874 | A640-Y863 HydrophobicContact CB-CD1 4.03Å; A640-Y863 HydrophobicContact CB-CE1 4.04Å; M837-Y863 HydrophobicContact CB-CD1 4.1Å; M837-Y863 HydrophobicContact CB-CE1 4.12Å; M837-Y863 HydrophobicContact CG-CD1 4.11Å; M837-Y863 HydrophobicContact CG-CE1 3.86Å; M837-Y863 HydrophobicContact CG-CE2 4.48Å; M837-Y863 HydrophobicContact SD-CD1 4.38Å; M837-Y863 HydrophobicContact SD-CE1 3.55Å; M837-Y863 VanDerWaalsContact SD-CE1 3.55Å; M837-Y863 HydrophobicContact SD-CE2 4.25Å; M837-Y863 PolarHBondContact SD-OH 3.13Å; M837-Y863 VanDerWaalsContact SD-OH 3.36Å; V861-Y863 HydrophobicContact CG1-CD2 4.35Å; V861-Y863 HydrophobicContact CG1-CE2 3.78Å; Y863-K874 WeakPolarHBondContact O-CE 3.4Å; Y863-K874 PolarHBondContact O-NZ 3.06Å |
| 864 | G | 93.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 165.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R835 D836 Y869 A871 | R835-G864 WeakPolarHBondContact CD-O 3.47Å; D836-G864 PolarHBondContact O-N 2.79Å; D836-G864 WeakPolarHBondContact OD1-CA 3.43Å; G864-Y869 WeakPolarHBondContact CA-O 3.25Å; G864-A871 VanDerWaalsContact CA-N 3.35Å |
| 865 | D | 90.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 36.3 Ų | 36.3 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -103.2 | 127.8 | 174.5 | -53.8 | -50.4 | 0 | 0 | 0 | 108.9 | N867 G868 Y869 K874 | D865-N867 PolarHBondContact O-N 2.65Å; D865-N867 VanDerWaalsContact O-N 3.11Å; D865-G868 PolarHBondContact O-N 3.1Å; D865-Y869 PolarHBondContact N-O 2.75Å; D865-K874 VanDerWaalsContact CG-NZ 3.27Å; D865-K874 IonicContact OD1-NZ 3.58Å; D865-K874 PolarHBondContact OD1-NZ 2.65Å; D865-K874 IonicContact OD2-NZ 3.55Å; D865-K874 PolarHBondContact OD2-NZ 3.13Å |
| 866 | S | 84.6 | Confident | 93.8 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 40% | 0.399 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.7 | -176.4 | -69.3 | 0 | 0 | 0 | 0 | 113.6 | G833 R835 | G833-S866 PolarHBondContact O-OG 3.08Å; G833-S866 VanDerWaalsContact O-OG 3.07Å; R835-S866 WeakPolarHBondContact CD-OG 3.45Å; R835-S866 WeakPolarHBondContact CG-OG 3.28Å |
| 867 | N | 83.1 | Confident | 93.8 | Very high | 172 Ų | 172 | 32.9 Ų | 32.9 | 92% | 0.92 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 14.9 | 177.4 | -63.7 | -29.5 | 0 | 0 | 0 | 112.4 | D865 | D865-N867 PolarHBondContact O-N 2.65Å; D865-N867 VanDerWaalsContact O-N 3.11Å |
| 868 | G | 86.6 | Confident | 93.9 | Very high | 47 Ų | 47 | 32.7 Ų | 32.7 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -135.7 | -139 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | D865 | D865-G868 PolarHBondContact O-N 3.1Š|
| 869 | Y | 90.6 | Very high | 94 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | trans | -94 | 145.5 | -177.8 | -60.6 | -55.7 | 0 | 0 | 0 | 111.9 | G494 P495 E498 K524 Y525 G864 D865 | G494-Y869 PolarHBondContact O-OH 3.22Å; P495-Y869 HydrophobicContact CB-CD2 4.37Å; P495-Y869 HydrophobicContact CG-CD1 3.95Å; P495-Y869 HydrophobicContact CG-CD2 3.75Å; P495-Y869 HydrophobicContact CG-CE1 4.4Å; P495-Y869 HydrophobicContact CG-CE2 4.21Å; P495-Y869 HydrophobicContact CG-CG 3.62Å; E498-Y869 HydrophobicContact CB-CE2 4.03Å; E498-Y869 WeakPolarHBondContact CB-OH 3.32Å; E498-Y869 HydrophobicContact CG-CE2 4.06Å; K524-Y869 PolarHBondContact NZ-OH 3.35Å; Y525-Y869 PolarHBondContact OH-OH 3.19Å; G864-Y869 WeakPolarHBondContact CA-O 3.25Å; D865-Y869 PolarHBondContact N-O 2.75Å | ||
| 870 | S | 92.8 | Very high | 94 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | trans | -62.9 | 150.9 | 171.3 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | D836 M872 A873 K874 | D836-S870 WeakPolarHBondContact OD1-CA 3.37Å; D836-S870 WeakPolarHBondContact OD1-CB 3.41Å; D836-S870 WeakPolarHBondContact OD2-CB 3.46Å; S870-M872 PolarHBondContact O-N 3.33Å; S870-A873 PolarHBondContact O-N 3.31Å; S870-A873 VanDerWaalsContact O-N 3.09Å; S870-A873 WeakPolarHBondContact OG-CB 3.46Å; S870-A873 PolarHBondContact OG-N 3.47Å; S870-K874 WeakPolarHBondContact O-CG 3.26Å; S870-K874 PolarHBondContact O-N 3.13Å | ||
| 871 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.5 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D836 I838 V862 G864 K874 T875 | D836-A871 VanDerWaalsContact CG-N 3.3Å; D836-A871 PolarHBondContact OD1-N 3.04Å; D836-A871 PolarHBondContact OD2-N 3.45Å; I838-A871 HydrophobicContact CB-CB 4.42Å; I838-A871 HydrophobicContact CG1-CB 3.77Å; V862-A871 HydrophobicContact CB-CB 4.2Å; V862-A871 HydrophobicContact CG1-CB 3.92Å; V862-A871 VanDerWaalsContact O-CB 3.24Å; V862-A871 WeakPolarHBondContact O-CB 3.35Å; G864-A871 VanDerWaalsContact CA-N 3.35Å; A871-K874 PolarHBondContact O-N 3.41Å; A871-T875 WeakPolarHBondContact O-CB 3.48Å; A871-T875 VanDerWaalsContact O-CG2 3.31Å; A871-T875 WeakPolarHBondContact O-CG2 3.31Å; A871-T875 PolarHBondContact O-N 3.33Å; A871-T875 PolarHBondContact O-OG1 3.03Å |
| 872 | M | 93.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 29 Ų | 29 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.2 | -176.5 | 58.4 | 71.6 | 0 | 0 | 111.9 | L605 W654 D836 I838 S870 K874 T875 V876 | L605-M872 HydrophobicContact CD2-CE 4Å; L605-M872 HydrophobicContact CD2-SD 4.06Å; W654-M872 HydrophobicContact CE3-CG 4.04Å; W654-M872 HydrophobicContact CH2-CE 3.49Å; W654-M872 VanDerWaalsContact CH2-CE 3.49Å; W654-M872 HydrophobicContact CZ2-CE 4.47Å; W654-M872 HydrophobicContact CZ3-CB 4.33Å; W654-M872 HydrophobicContact CZ3-CE 3.56Å; W654-M872 HydrophobicContact CZ3-CG 3.65Å; W654-M872 HydrophobicContact CZ3-SD 4.23Å; D836-M872 WeakPolarHBondContact OD2-CB 3.4Å; D836-M872 PolarHBondContact OD2-N 3.29Å; I838-M872 HydrophobicContact CD1-CB 4.26Å; I838-M872 HydrophobicContact CD1-CE 3.53Å; I838-M872 HydrophobicContact CD1-SD 4.22Å; S870-M872 PolarHBondContact O-N 3.33Å; M872-K874 VanDerWaalsContact C-N 3.35Å; M872-K874 PolarHBondContact O-N 3.16Å; M872-T875 PolarHBondContact O-OG1 3.47Å; M872-V876 HydrophobicContact CG-CG2 4.45Å; M872-V876 WeakPolarHBondContact O-CB 3.48Å; M872-V876 VanDerWaalsContact O-CG2 3.29Å; M872-V876 WeakPolarHBondContact O-CG2 3.32Å; M872-V876 PolarHBondContact O-N 2.97Å; M872-V876 VanDerWaalsContact O-N 3.07Å; M872-V876 HydrophobicContact SD-CG2 3.62Å |
| 873 | A | 93.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P495 S870 G877 | P495-A873 HydrophobicContact CG-CB 3.92Å; S870-A873 PolarHBondContact O-N 3.31Å; S870-A873 VanDerWaalsContact O-N 3.09Å; S870-A873 WeakPolarHBondContact OG-CB 3.46Å; S870-A873 PolarHBondContact OG-N 3.47Å; A873-G877 VanDerWaalsContact O-CA 3.31Å; A873-G877 WeakPolarHBondContact O-CA 3.42Å; A873-G877 PolarHBondContact O-N 3.49Å |
| 874 | K | 96 | Very high | 94.2 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -53.5 | 178.2 | -68.5 | -172.4 | -72.5 | -169.2 | 0 | 111.7 | Y863 D865 S870 A871 M872 V876 G877 Y878 I918 | Y863-K874 WeakPolarHBondContact O-CE 3.4Å; Y863-K874 PolarHBondContact O-NZ 3.06Å; D865-K874 VanDerWaalsContact CG-NZ 3.27Å; D865-K874 IonicContact OD1-NZ 3.58Å; D865-K874 PolarHBondContact OD1-NZ 2.65Å; D865-K874 IonicContact OD2-NZ 3.55Å; D865-K874 PolarHBondContact OD2-NZ 3.13Å; S870-K874 WeakPolarHBondContact O-CG 3.26Å; S870-K874 PolarHBondContact O-N 3.13Å; A871-K874 PolarHBondContact O-N 3.41Å; M872-K874 VanDerWaalsContact C-N 3.35Å; M872-K874 PolarHBondContact O-N 3.16Å; K874-V876 VanDerWaalsContact C-N 3.27Å; K874-V876 PolarHBondContact O-N 3.45Å; K874-G877 PolarHBondContact O-N 3.01Å; K874-Y878 HydrophobicContact CB-CD2 3.9Å; K874-Y878 HydrophobicContact CB-CE2 3.96Å; K874-Y878 HydrophobicContact CD-CE2 4.31Å; K874-Y878 HydrophobicContact CG-CD2 4.28Å; K874-Y878 HydrophobicContact CG-CE2 3.81Å; K874-Y878 WeakPolarHBondContact O-CB 3.13Å; K874-Y878 WeakPolarHBondContact O-CD2 3.45Å; K874-Y878 PolarHBondContact O-N 3.21Å; K874-I918 HydrophobicContact CB-CD1 4.49Å |
| 875 | T | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.6 | -15.9 | -173.8 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | G604 L605 L609 I838 V862 A871 M872 P879 I918 | G604-T875 CarbonylContact C-O 3.49Å; L605-T875 HydrophobicContact CD1-CG2 4.49Å; L605-T875 PolarHBondContact N-O 3.29Å; L609-T875 HydrophobicContact CD1-CG2 4.32Å; I838-T875 HydrophobicContact CG1-CG2 4.15Å; V862-T875 HydrophobicContact CB-CG2 4.2Å; V862-T875 HydrophobicContact CG1-CG2 4.28Å; V862-T875 HydrophobicContact CG2-CG2 3.97Å; A871-T875 WeakPolarHBondContact O-CB 3.48Å; A871-T875 VanDerWaalsContact O-CG2 3.31Å; A871-T875 WeakPolarHBondContact O-CG2 3.31Å; A871-T875 PolarHBondContact O-N 3.33Å; A871-T875 PolarHBondContact O-OG1 3.03Å; M872-T875 PolarHBondContact O-OG1 3.47Å; T875-P879 WeakPolarHBondContact O-CD 3.33Å; T875-P879 WeakPolarHBondContact O-CG 3.34Å; T875-I918 HydrophobicContact CG2-CD1 4.16Å; T875-I918 HydrophobicContact CG2-CG1 4.36Å; T875-I918 HydrophobicContact CG2-CG2 4.29Å |
| 876 | V | 96.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 13% | 0.127 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -97 | -45.7 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | V492 A578 L605 M872 K874 T880 | V492-V876 HydrophobicContact CG1-CB 3.83Å; V492-V876 HydrophobicContact CG1-CG1 3.55Å; V492-V876 HydrophobicContact CG2-CB 4.28Å; V492-V876 HydrophobicContact CG2-CG1 4.29Å; A578-V876 HydrophobicContact CB-CG1 3.69Å; L605-V876 HydrophobicContact CB-CG2 3.91Å; M872-V876 HydrophobicContact CG-CG2 4.45Å; M872-V876 WeakPolarHBondContact O-CB 3.48Å; M872-V876 VanDerWaalsContact O-CG2 3.29Å; M872-V876 WeakPolarHBondContact O-CG2 3.32Å; M872-V876 PolarHBondContact O-N 2.97Å; M872-V876 VanDerWaalsContact O-N 3.07Å; M872-V876 HydrophobicContact SD-CG2 3.62Å; K874-V876 VanDerWaalsContact C-N 3.27Å; K874-V876 PolarHBondContact O-N 3.45Å; V876-T880 PolarHBondContact O-N 3.03Å; V876-T880 PolarHBondContact O-OG1 3.16Å; V876-T880 VanDerWaalsContact O-OG1 3.06Å |
| 877 | G | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.3 | -46 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V496 A873 K874 T880 A881 | V496-G877 WeakPolarHBondContact CG2-O 3.42Å; A873-G877 VanDerWaalsContact O-CA 3.31Å; A873-G877 WeakPolarHBondContact O-CA 3.42Å; A873-G877 PolarHBondContact O-N 3.49Å; K874-G877 PolarHBondContact O-N 3.01Å; G877-T880 WeakPolarHBondContact O-CB 3.48Å; G877-T880 PolarHBondContact O-N 3.37Å; G877-A881 WeakPolarHBondContact O-CB 3.41Å; G877-A881 PolarHBondContact O-N 3.33Å |
| 878 | Y | 98.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 13.1 Ų | 13.1 | 6% | 0.059 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | -178.5 | -72.2 | -55.5 | 0 | 0 | 0 | 113.1 | P495 E498 Y499 K874 T880 A881 I882 E916 I918 | P495-Y878 HydrophobicContact CB-CD1 4.25Å; P495-Y878 HydrophobicContact CB-CD2 4.4Å; P495-Y878 HydrophobicContact CB-CE1 4.03Å; P495-Y878 HydrophobicContact CB-CE2 4.21Å; P495-Y878 HydrophobicContact CB-CG 4.41Å; E498-Y878 WeakPolarHBondContact OE2-CE1 3.4Å; E498-Y878 PolarHBondContact OE2-OH 3.16Å; Y499-Y878 AromaticContact CD2-CD1 3.99Å; Y499-Y878 HydrophobicContact CD2-CD1 3.99Å; Y499-Y878 HydrophobicContact CD2-CE1 4.25Å; Y499-Y878 HydrophobicContact CG-CD1 4.34Å; K874-Y878 HydrophobicContact CB-CD2 3.9Å; K874-Y878 HydrophobicContact CB-CE2 3.96Å; K874-Y878 HydrophobicContact CD-CE2 4.31Å; K874-Y878 HydrophobicContact CG-CD2 4.28Å; K874-Y878 HydrophobicContact CG-CE2 3.81Å; K874-Y878 WeakPolarHBondContact O-CB 3.13Å; K874-Y878 WeakPolarHBondContact O-CD2 3.45Å; K874-Y878 PolarHBondContact O-N 3.21Å; Y878-T880 VanDerWaalsContact C-N 3.28Å; Y878-T880 PolarHBondContact O-N 3.48Å; Y878-A881 PolarHBondContact O-N 2.98Å; Y878-A881 VanDerWaalsContact O-N 3.16Å; Y878-I882 WeakPolarHBondContact O-CB 3.19Å; Y878-I882 WeakPolarHBondContact O-CD1 3.46Å; Y878-I882 WeakPolarHBondContact O-CG1 3.43Å; Y878-I882 PolarHBondContact O-N 3.03Å; Y878-E916 HydrophobicContact CD1-CB 4.39Å; Y878-E916 HydrophobicContact CD1-CG 3.9Å; Y878-E916 HydrophobicContact CD2-CB 3.85Å; Y878-E916 HydrophobicContact CD2-CG 4.26Å; Y878-E916 HydrophobicContact CE1-CG 4.19Å; Y878-E916 HydrophobicContact CE2-CB 4.01Å; Y878-E916 HydrophobicContact CG-CB 4.06Å; Y878-E916 HydrophobicContact CG-CG 3.95Å; Y878-I918 HydrophobicContact CD2-CD1 4.12Å |
| 879 | P | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.2 | -41.1 | 174.1 | -24.4 | 33.3 | 0 | 0 | 0 | 112.9 | L609 T875 A883 I909 V913 | L609-P879 HydrophobicContact CD1-CG 4.24Å; L609-P879 HydrophobicContact CD2-CG 4.13Å; L609-P879 HydrophobicContact CG-CG 4.01Å; T875-P879 WeakPolarHBondContact O-CD 3.33Å; T875-P879 WeakPolarHBondContact O-CG 3.34Å; P879-A883 VanDerWaalsContact O-CB 3.27Å; P879-A883 WeakPolarHBondContact O-CB 3.33Å; P879-A883 PolarHBondContact O-N 2.93Å; P879-I909 HydrophobicContact CB-CG2 4.32Å; P879-V913 HydrophobicContact CG-CG1 3.97Å |
| 880 | T | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | V496 I553 L555 V576 A578 M603 V876 G877 Y878 A883 A884 | V496-T880 HydrophobicContact CG2-CG2 4.21Å; I553-T880 HydrophobicContact CG2-CG2 3.62Å; L555-T880 HydrophobicContact CD2-CG2 4.28Å; V576-T880 HydrophobicContact CG1-CG2 3.83Å; A578-T880 WeakPolarHBondContact CB-OG1 3.3Å; M603-T880 PolarHBondContact O-N 3.37Å; M603-T880 PolarHBondContact O-OG1 3.49Å; V876-T880 PolarHBondContact O-N 3.03Å; V876-T880 PolarHBondContact O-OG1 3.16Å; V876-T880 VanDerWaalsContact O-OG1 3.06Å; G877-T880 WeakPolarHBondContact O-CB 3.48Å; G877-T880 PolarHBondContact O-N 3.37Å; Y878-T880 VanDerWaalsContact C-N 3.28Å; Y878-T880 PolarHBondContact O-N 3.48Å; T880-A883 PolarHBondContact O-N 2.87Å; T880-A884 WeakPolarHBondContact O-CB 3.48Å; T880-A884 PolarHBondContact O-N 3.1Å |
| 881 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.5 | -41.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V496 Y499 L500 G877 Y878 A884 K885 | V496-A881 HydrophobicContact CB-CB 4.35Å; V496-A881 HydrophobicContact CG1-CB 4.24Å; V496-A881 HydrophobicContact CG2-CB 4.32Å; Y499-A881 HydrophobicContact CD1-CB 3.69Å; Y499-A881 HydrophobicContact CG-CB 3.94Å; L500-A881 HydrophobicContact CG-CB 4.42Å; G877-A881 WeakPolarHBondContact O-CB 3.41Å; G877-A881 PolarHBondContact O-N 3.33Å; Y878-A881 PolarHBondContact O-N 2.98Å; Y878-A881 VanDerWaalsContact O-N 3.16Å; A881-A884 WeakPolarHBondContact O-CB 3.48Å; A881-A884 PolarHBondContact O-N 3.43Å; A881-K885 PolarHBondContact O-N 3.35Å |
| 882 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.1 | -67.6 | 159.7 | 0 | 0 | 0 | 109.7 | Y499 Y878 A884 K885 M886 I909 R912 V913 | Y499-I882 HydrophobicContact CD2-CG1 4.48Å; Y499-I882 HydrophobicContact CE1-CG1 3.89Å; Y499-I882 HydrophobicContact CE2-CD1 4.47Å; Y499-I882 HydrophobicContact CE2-CG1 3.82Å; Y499-I882 VanDerWaalsContact CZ-CG1 3.5Å; Y878-I882 WeakPolarHBondContact O-CB 3.19Å; Y878-I882 WeakPolarHBondContact O-CD1 3.46Å; Y878-I882 WeakPolarHBondContact O-CG1 3.43Å; Y878-I882 PolarHBondContact O-N 3.03Å; I882-A884 VanDerWaalsContact C-N 3.32Å; I882-A884 PolarHBondContact O-N 3.24Å; I882-K885 PolarHBondContact O-N 3.41Å; I882-M886 HydrophobicContact CG2-CG 4.38Å; I882-M886 HydrophobicContact CG2-SD 3.86Å; I882-M886 WeakPolarHBondContact O-CB 3.45Å; I882-M886 VanDerWaalsContact O-CG 3.26Å; I882-M886 WeakPolarHBondContact O-CG 3.38Å; I882-M886 PolarHBondContact O-N 3.17Å; I882-I909 HydrophobicContact CG2-CB 4.45Å; I882-I909 HydrophobicContact CG2-CG1 3.99Å; I882-R912 HydrophobicContact CD1-CB 3.69Å; I882-R912 HydrophobicContact CG1-CB 4.12Å; I882-R912 HydrophobicContact CG2-CB 4Å; I882-R912 HydrophobicContact CG2-CG 4.42Å; I882-V913 HydrophobicContact CD1-CB 4.37Å; I882-V913 HydrophobicContact CD1-CG1 3.45Å; I882-V913 VanDerWaalsContact CD1-CG1 3.45Å |
| 883 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I600 M603 P879 T880 M886 V887 I909 | I600-A883 HydrophobicContact CD1-CB 4.29Å; M603-A883 HydrophobicContact CB-CB 4.37Å; M603-A883 HydrophobicContact CG-CB 3.76Å; M603-A883 HydrophobicContact SD-CB 3.54Å; M603-A883 VanDerWaalsContact SD-CB 3.54Å; P879-A883 VanDerWaalsContact O-CB 3.27Å; P879-A883 WeakPolarHBondContact O-CB 3.33Å; P879-A883 PolarHBondContact O-N 2.93Å; T880-A883 PolarHBondContact O-N 2.87Å; A883-M886 PolarHBondContact O-N 3.37Å; A883-V887 WeakPolarHBondContact O-CG2 3.47Å; A883-V887 PolarHBondContact O-N 3Å; A883-I909 HydrophobicContact CB-CD1 4.2Å |
| 884 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L551 I553 V576 T880 A881 I882 M886 V887 L888 | L551-A884 HydrophobicContact CD2-CB 3.57Å; L551-A884 WeakPolarHBondContact CD2-O 3.48Å; I553-A884 HydrophobicContact CD1-CB 3.57Å; I553-A884 HydrophobicContact CG1-CB 4.08Å; V576-A884 HydrophobicContact CG2-CB 4.11Å; T880-A884 WeakPolarHBondContact O-CB 3.48Å; T880-A884 PolarHBondContact O-N 3.1Å; A881-A884 WeakPolarHBondContact O-CB 3.48Å; A881-A884 PolarHBondContact O-N 3.43Å; I882-A884 VanDerWaalsContact C-N 3.32Å; I882-A884 PolarHBondContact O-N 3.24Å; A884-M886 PolarHBondContact O-N 3.36Å; A884-V887 PolarHBondContact O-N 2.8Å; A884-L888 WeakPolarHBondContact O-CG 3.28Å; A884-L888 PolarHBondContact O-N 2.89Å |
| 885 | K | 96.9 | Very high | 95 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.6 | -176.2 | 159.2 | 175.2 | 53.6 | 0 | 112.1 | Y499 L500 D503 A881 I882 V887 L888 D889 | Y499-K885 HydrophobicContact CE1-CB 4.24Å; Y499-K885 HydrophobicContact CE1-CD 4.03Å; L500-K885 HydrophobicContact CD2-CB 4.08Å; D503-K885 IonicContact OD2-NZ 3.34Å; D503-K885 PolarHBondContact OD2-NZ 2.96Å; A881-K885 PolarHBondContact O-N 3.35Å; I882-K885 PolarHBondContact O-N 3.41Å; K885-V887 VanDerWaalsContact C-N 3.33Å; K885-V887 PolarHBondContact O-N 2.83Å; K885-L888 WeakPolarHBondContact O-CB 3.5Å; K885-L888 PolarHBondContact O-N 3.42Å; K885-D889 WeakPolarHBondContact CE-OD2 3.34Å; K885-D889 WeakPolarHBondContact CG-OD2 3.5Å; K885-D889 IonicContact NZ-OD1 3.82Å; K885-D889 IonicContact NZ-OD2 2.77Å; K885-D889 PolarHBondContact NZ-OD2 3.41Å; K885-D889 VanDerWaalsContact O-CB 3.31Å; K885-D889 WeakPolarHBondContact O-CB 3.45Å; K885-D889 VanDerWaalsContact O-CG 3.27Å; K885-D889 PolarHBondContact O-N 3.4Å |
| 886 | M | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 175.8 | -71.7 | 172.5 | 70.3 | 0 | 0 | 113.1 | I882 A883 A884 G890 E891 I892 P908 I909 | I882-M886 HydrophobicContact CG2-CG 4.38Å; I882-M886 HydrophobicContact CG2-SD 3.86Å; I882-M886 WeakPolarHBondContact O-CB 3.45Å; I882-M886 VanDerWaalsContact O-CG 3.26Å; I882-M886 WeakPolarHBondContact O-CG 3.38Å; I882-M886 PolarHBondContact O-N 3.17Å; A883-M886 PolarHBondContact O-N 3.37Å; A884-M886 PolarHBondContact O-N 3.36Å; M886-G890 PolarHBondContact O-N 2.89Å; M886-E891 HydrophobicContact CB-CB 4.03Å; M886-E891 HydrophobicContact CE-CB 4.4Å; M886-E891 HydrophobicContact CG-CB 4.3Å; M886-E891 PolarHBondContact O-N 2.81Å; M886-I892 HydrophobicContact CB-CD1 3.76Å; M886-I892 HydrophobicContact CB-CG1 3.91Å; M886-I892 HydrophobicContact CE-CD1 4.09Å; M886-I892 HydrophobicContact CE-CG1 3.95Å; M886-I892 PolarHBondContact O-N 2.99Å; M886-I892 HydrophobicContact SD-CD1 4.45Å; M886-P908 HydrophobicContact CE-CB 3.71Å; M886-P908 HydrophobicContact CE-CG 4.01Å; M886-P908 HydrophobicContact SD-CB 4.21Å; M886-I909 HydrophobicContact CE-CG1 4.42Å; M886-I909 HydrophobicContact SD-CD1 4.33Å; M886-I909 HydrophobicContact SD-CG1 3.59Å; M886-I909 VanDerWaalsContact SD-CG1 3.59Å |
| 887 | V | 96 | Very high | 94.9 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | L551 N574 T598 I600 A883 A884 K885 D889 G890 I892 | L551-V887 HydrophobicContact CD1-CG1 4.09Å; N574-V887 HydrophobicContact CB-CG1 3.89Å; T598-V887 HydrophobicContact CG2-CG2 4.5Å; I600-V887 HydrophobicContact CG2-CG2 4.42Å; A883-V887 WeakPolarHBondContact O-CG2 3.47Å; A883-V887 PolarHBondContact O-N 3Å; A884-V887 PolarHBondContact O-N 2.8Å; K885-V887 VanDerWaalsContact C-N 3.33Å; K885-V887 PolarHBondContact O-N 2.83Å; V887-D889 VanDerWaalsContact C-N 3.32Å; V887-D889 PolarHBondContact O-N 3.31Å; V887-G890 PolarHBondContact O-N 3.37Å; V887-I892 HydrophobicContact CG2-CB 4.15Å; V887-I892 HydrophobicContact CG2-CD1 4.17Å; V887-I892 HydrophobicContact CG2-CG2 4.44Å |
| 888 | L | 93.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 12% | 0.12 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.2 | -74.4 | 177.4 | 0 | 0 | 0 | 112.3 | K482 V484 V506 D550 L551 A884 K885 G890 | K482-L888 HydrophobicContact CB-CD1 4.34Å; K482-L888 HydrophobicContact CB-CD2 4.06Å; K482-L888 HydrophobicContact CD-CB 3.72Å; K482-L888 HydrophobicContact CD-CD2 4.21Å; K482-L888 HydrophobicContact CD-CG 4.37Å; K482-L888 WeakPolarHBondContact CE-O 3.46Å; K482-L888 VanDerWaalsContact NZ-C 3.29Å; K482-L888 PolarHBondContact NZ-O 3.09Å; V484-L888 HydrophobicContact CG2-CD1 3.55Å; V484-L888 HydrophobicContact CG2-CD2 4.4Å; V484-L888 HydrophobicContact CG2-CG 4.49Å; V506-L888 HydrophobicContact CG2-CD1 4.49Å; D550-L888 HydrophobicContact CB-CD2 4.36Å; L551-L888 HydrophobicContact CB-CD2 3.68Å; L551-L888 HydrophobicContact CB-CG 4.35Å; L551-L888 HydrophobicContact CD2-CD1 4.27Å; L551-L888 HydrophobicContact CD2-CD2 4.13Å; L551-L888 HydrophobicContact CD2-CG 3.84Å; A884-L888 WeakPolarHBondContact O-CG 3.28Å; A884-L888 PolarHBondContact O-N 2.89Å; K885-L888 WeakPolarHBondContact O-CB 3.5Å; K885-L888 PolarHBondContact O-N 3.42Å; L888-G890 VanDerWaalsContact C-N 3.27Å; L888-G890 PolarHBondContact O-N 3.41Å |
| 889 | D | 91.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | -176.8 | -65.4 | -17.6 | 0 | 0 | 0 | 113.1 | K482 K885 V887 E891 | K482-D889 IonicContact NZ-OD1 3.19Å; K482-D889 PolarHBondContact NZ-OD1 3.07Å; K885-D889 WeakPolarHBondContact CE-OD2 3.34Å; K885-D889 WeakPolarHBondContact CG-OD2 3.5Å; K885-D889 IonicContact NZ-OD1 3.82Å; K885-D889 IonicContact NZ-OD2 2.77Å; K885-D889 PolarHBondContact NZ-OD2 3.41Å; K885-D889 VanDerWaalsContact O-CB 3.31Å; K885-D889 WeakPolarHBondContact O-CB 3.45Å; K885-D889 VanDerWaalsContact O-CG 3.27Å; K885-D889 PolarHBondContact O-N 3.4Å; V887-D889 VanDerWaalsContact C-N 3.32Å; V887-D889 PolarHBondContact O-N 3.31Å; D889-E891 VanDerWaalsContact C-N 3.27Å; D889-E891 HydrophobicContact CB-CG 4.27Å; D889-E891 PolarHBondContact O-N 3.47Å |
| 890 | G | 90.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 34% | 0.34 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 19.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M886 V887 L888 N893 | M886-G890 PolarHBondContact O-N 2.89Å; V887-G890 PolarHBondContact O-N 3.37Å; L888-G890 VanDerWaalsContact C-N 3.27Å; L888-G890 PolarHBondContact O-N 3.41Å; G890-N893 VanDerWaalsContact O-CG 3.29Å; G890-N893 PolarHBondContact O-ND2 3.19Å; G890-N893 PolarHBondContact O-OD1 2.82Å; G890-N893 VanDerWaalsContact O-OD1 3.05Å |
| 891 | E | 92.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 29.9 Ų | 29.9 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -74.3 | -35.3 | 173.1 | -58.4 | -175.8 | -121.8 | 0 | 0 | 110.8 | M886 D889 R912 | M886-E891 HydrophobicContact CB-CB 4.03Å; M886-E891 HydrophobicContact CE-CB 4.4Å; M886-E891 HydrophobicContact CG-CB 4.3Å; M886-E891 PolarHBondContact O-N 2.81Å; D889-E891 VanDerWaalsContact C-N 3.27Å; D889-E891 HydrophobicContact CB-CG 4.27Å; D889-E891 PolarHBondContact O-N 3.47Å; E891-R912 IonicContact OE1-CZ 3.65Å; E891-R912 IonicContact OE1-NH1 3.72Å; E891-R912 PolarHBondContact OE1-NH1 3.27Å; E891-R912 IonicContact OE1-NH2 2.86Å; E891-R912 PolarHBondContact OE1-NH2 2.85Å; E891-R912 IonicContact OE2-CZ 2.78Å; E891-R912 IonicContact OE2-NH1 2.7Å; E891-R912 IonicContact OE2-NH2 2.7Å; E891-R912 PolarHBondContact OE2-NH2 3.25Å |
| 892 | I | 92.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -97.1 | 97.3 | 173.3 | -60.8 | 172.2 | 0 | 0 | 0 | 109.3 | T598 I600 M886 V887 I905 | T598-I892 HydrophobicContact CG2-CG2 4.27Å; I600-I892 HydrophobicContact CD1-CD1 3.9Å; M886-I892 HydrophobicContact CB-CD1 3.76Å; M886-I892 HydrophobicContact CB-CG1 3.91Å; M886-I892 HydrophobicContact CE-CD1 4.09Å; M886-I892 HydrophobicContact CE-CG1 3.95Å; M886-I892 PolarHBondContact O-N 2.99Å; M886-I892 HydrophobicContact SD-CD1 4.45Å; V887-I892 HydrophobicContact CG2-CB 4.15Å; V887-I892 HydrophobicContact CG2-CD1 4.17Å; V887-I892 HydrophobicContact CG2-CG2 4.44Å; I892-I905 HydrophobicContact CD1-CG2 4.3Å; I892-I905 HydrophobicContact CG1-CG1 4.35Å; I892-I905 HydrophobicContact CG2-CD1 4.41Å | ||
| 893 | N | 84.8 | Confident | 94 | Very high | 117 Ų | 117 | 38.6 Ų | 38.6 | 63% | 0.626 | 21% | 0.207 | S | C | * | . | trans | -92.8 | -9.1 | -178.1 | -68.6 | -56.5 | 0 | 0 | 0 | 114.4 | G890 | G890-N893 VanDerWaalsContact O-CG 3.29Å; G890-N893 PolarHBondContact O-ND2 3.19Å; G890-N893 PolarHBondContact O-OD1 2.82Å; G890-N893 VanDerWaalsContact O-OD1 3.05Å | ||
| 894 | A | 89.9 | Confident | 93.7 | Very high | 44 Ų | 44 | 43 Ų | 43 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | trans | -63 | 136.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T598 V898 | T598-A894 WeakPolarHBondContact CG2-O 3.25Å; T598-A894 PolarHBondContact OG1-O 2.85Å; A894-V898 HydrophobicContact CB-CG2 3.97Å | ||
| 895 | K | 92.8 | Very high | 93.6 | Very high | 116 Ų | 116 | 43.1 Ų | 43.1 | 50% | 0.504 | 23% | 0.231 | S | C | . | . | trans | -105 | 159.9 | 175.3 | -57.2 | -54.8 | -173 | 171.8 | 0 | 110.4 | G596 | G596-K895 WeakPolarHBondContact O-CD 3.27Å; G596-K895 WeakPolarHBondContact O-CE 3.2Å; G596-K895 PolarHBondContact O-NZ 2.88Å | ||
| 896 | G | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.2 | -164.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I597 V599 | I597-G896 PolarHBondContact O-N 3.21Å; V599-G896 PolarHBondContact N-O 3.38Å |
| 897 | M | 95.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.8 | 170.6 | -58.5 | -70.3 | -176.6 | 0 | 0 | 110 | L581 M585 L588 V592 V599 | L581-M897 HydrophobicContact CD1-CB 4.17Å; L581-M897 HydrophobicContact CD1-CG 4.12Å; L581-M897 HydrophobicContact CD1-SD 3.97Å; L581-M897 HydrophobicContact CD2-CB 4.18Å; M585-M897 HydrophobicContact CE-CE 4.06Å; M585-M897 HydrophobicContact CE-SD 4.33Å; M585-M897 WeakPolarHBondContact O-CE 3.29Å; L588-M897 HydrophobicContact CB-CE 3.84Å; V592-M897 HydrophobicContact CG2-CE 3.57Å; V592-M897 HydrophobicContact CG2-SD 4.36Å; V599-M897 HydrophobicContact CB-CE 4.41Å; V599-M897 HydrophobicContact CB-SD 3.52Å; V599-M897 VanDerWaalsContact CB-SD 3.52Å; V599-M897 HydrophobicContact CG1-CE 4.2Å; V599-M897 HydrophobicContact CG1-SD 3.39Å; V599-M897 WeakPolarHBondContact CG1-SD 3.34Å; V599-M897 HydrophobicContact CG2-SD 4.28Å; V599-M897 CarbonylContact O-C 3.47Å; V599-M897 WeakPolarHBondContact O-CA 3.5Å |
| 898 | V | 95 | Very high | 93.7 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.6 | -175.5 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | T598 V599 I600 S601 A894 I905 | T598-V898 HydrophobicContact CG2-CG2 4.02Å; V599-V898 PolarHBondContact O-N 3.48Å; I600-V898 CarbonylContact C-O 3.57Å; I600-V898 WeakPolarHBondContact CA-O 3.31Å; I600-V898 HydrophobicContact CB-CB 4.32Å; I600-V898 HydrophobicContact CD1-CG1 4.21Å; I600-V898 HydrophobicContact CG1-CB 4.3Å; I600-V898 HydrophobicContact CG1-CG1 4.24Å; S601-V898 PolarHBondContact N-O 3.06Å; A894-V898 HydrophobicContact CB-CG2 3.97Å; V898-I905 HydrophobicContact CG1-CD1 3.33Å |
| 899 | I | 95.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | trans | -133.3 | 158.5 | 175.3 | 55.1 | 172.6 | 0 | 0 | 0 | 109.1 | L581 E602 L901 | L581-I899 HydrophobicContact CB-CG2 4.42Å; L581-I899 HydrophobicContact CD2-CG2 4.35Å; E602-I899 HydrophobicContact CB-CG2 4.44Å; E602-I899 HydrophobicContact CG-CG2 4.27Å; I899-L901 HydrophobicContact CD1-CD1 3.38Å; I899-L901 HydrophobicContact CD1-CG 3.79Å; I899-L901 HydrophobicContact CG1-CD1 4.01Å; I899-L901 HydrophobicContact CG1-CG 3.9Å; I899-L901 PolarHBondContact O-N 2.87Å | ||
| 900 | P | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 46.8 | -167.3 | 31.6 | -32.1 | 0 | 0 | 0 | 113.9 | E602 M603 H611 M612 I905 | E602-P900 WeakPolarHBondContact O-CG 3.42Å; M603-P900 HydrophobicContact CE-CB 3.35Å; M603-P900 HydrophobicContact CE-CG 3.42Å; M603-P900 VanDerWaalsContact CE-CG 3.42Å; M603-P900 HydrophobicContact SD-CB 4.42Å; H611-P900 HydrophobicContact CB-CG 4.01Å; M612-P900 HydrophobicContact CE-CB 3.53Å; M612-P900 HydrophobicContact CE-CG 3.96Å; M612-P900 HydrophobicContact CG-CB 3.77Å; M612-P900 HydrophobicContact CG-CG 4.3Å; M612-P900 HydrophobicContact SD-CB 4.45Å; P900-I905 HydrophobicContact CB-CG2 4.32Å |
| 901 | L | 95.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -12.1 | -174.8 | -57.8 | -171.9 | 0 | 0 | 0 | 114.3 | H611 K615 P713 Y714 I899 | H611-L901 HydrophobicContact CB-CD2 3.83Å; K615-L901 HydrophobicContact CD-CD2 4.41Å; K615-L901 WeakPolarHBondContact CE-O 3.29Å; K615-L901 HydrophobicContact CG-CB 4.4Å; K615-L901 HydrophobicContact CG-CD2 3.83Å; K615-L901 PolarHBondContact NZ-O 3.07Å; K615-L901 VanDerWaalsContact NZ-O 3.08Å; P713-L901 HydrophobicContact CB-CD1 3.51Å; Y714-L901 HydrophobicContact CD1-CD1 4.4Å; Y714-L901 HydrophobicContact CD1-CD2 3.98Å; Y714-L901 HydrophobicContact CE1-CD2 3.61Å; I899-L901 HydrophobicContact CD1-CD1 3.38Å; I899-L901 HydrophobicContact CD1-CG 3.79Å; I899-L901 HydrophobicContact CG1-CD1 4.01Å; I899-L901 HydrophobicContact CG1-CG 3.9Å; I899-L901 PolarHBondContact O-N 2.87Å |
| 902 | T | 94.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -101.3 | 143.7 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | N904 I905 Y906 | T902-N904 VanDerWaalsContact C-N 3.28Å; T902-N904 WeakPolarHBondContact CB-OD1 3.16Å; T902-N904 PolarHBondContact O-N 2.84Å; T902-N904 PolarHBondContact OG1-OD1 3.44Å; T902-I905 PolarHBondContact O-N 2.87Å; T902-I905 WeakPolarHBondContact OG1-CD1 3.26Å; T902-I905 WeakPolarHBondContact OG1-CG1 3.31Å; T902-Y906 VanDerWaalsContact C-CE1 3.44Å; T902-Y906 WeakPolarHBondContact O-CD1 3.32Å; T902-Y906 PolarHBondContact O-N 3.25Å |
| 903 | K | 94.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 43.7 Ų | 43.7 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.1 | -33.3 | -173.3 | -168.9 | 172 | -173.8 | 176 | 0 | 114.1 | E623 I905 Y906 G907 | E623-K903 IonicContact OE1-NZ 3.19Å; E623-K903 PolarHBondContact OE1-NZ 3.32Å; K903-I905 PolarHBondContact O-N 2.97Å; K903-Y906 VanDerWaalsContact CA-CZ 3.41Å; K903-Y906 HydrophobicContact CB-CE1 3.93Å; K903-Y906 HydrophobicContact CB-CE2 4.25Å; K903-Y906 WeakPolarHBondContact CB-OH 3.48Å; K903-Y906 HydrophobicContact CG-CE2 4.01Å; K903-Y906 WeakPolarHBondContact CG-OH 3.18Å; K903-Y906 VanDerWaalsContact N-CE1 3.28Å; K903-G907 WeakPolarHBondContact O-CA 3.41Å; K903-G907 PolarHBondContact O-N 3.25Å |
| 904 | N | 92.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -14.3 | 174.9 | 66.4 | -37.1 | 0 | 0 | 0 | 113.8 | T902 | T902-N904 VanDerWaalsContact C-N 3.28Å; T902-N904 WeakPolarHBondContact CB-OD1 3.16Å; T902-N904 PolarHBondContact O-N 2.84Å; T902-N904 PolarHBondContact OG1-OD1 3.44Å |
| 905 | I | 95.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -102.1 | -59.3 | 174.7 | -59.9 | 178.5 | 0 | 0 | 0 | 109.4 | I600 I892 V898 P900 T902 K903 G907 I909 | I600-I905 HydrophobicContact CD1-CG2 4.26Å; I892-I905 HydrophobicContact CD1-CG2 4.3Å; I892-I905 HydrophobicContact CG1-CG1 4.35Å; I892-I905 HydrophobicContact CG2-CD1 4.41Å; V898-I905 HydrophobicContact CG1-CD1 3.33Å; P900-I905 HydrophobicContact CB-CG2 4.32Å; T902-I905 PolarHBondContact O-N 2.87Å; T902-I905 WeakPolarHBondContact OG1-CD1 3.26Å; T902-I905 WeakPolarHBondContact OG1-CG1 3.31Å; K903-I905 PolarHBondContact O-N 2.97Å; I905-G907 VanDerWaalsContact C-N 3.32Å; I905-G907 PolarHBondContact O-N 3Å; I905-I909 HydrophobicContact CG2-CD1 3.74Å; I905-I909 WeakPolarHBondContact O-CD1 3.32Å; I905-I909 VanDerWaalsContact O-CG1 3.23Å; I905-I909 WeakPolarHBondContact O-CG1 3.42Å; I905-I909 PolarHBondContact O-N 3.24Å |
| 906 | Y | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -31 | -174.1 | 71 | -114.5 | 0 | 0 | 0 | 112.9 | K615 E616 D619 T902 K903 I909 L910 | K615-Y906 HydrophobicContact CB-CD1 3.97Å; K615-Y906 HydrophobicContact CB-CE1 3.8Å; E616-Y906 HydrophobicContact CB-CD2 4.3Å; E616-Y906 HydrophobicContact CB-CE2 3.91Å; E616-Y906 HydrophobicContact CG-CE2 4.29Å; D619-Y906 WeakPolarHBondContact OD2-CE1 3.37Å; D619-Y906 PolarHBondContact OD2-OH 3.48Å; T902-Y906 VanDerWaalsContact C-CE1 3.44Å; T902-Y906 WeakPolarHBondContact O-CD1 3.32Å; T902-Y906 PolarHBondContact O-N 3.25Å; K903-Y906 VanDerWaalsContact CA-CZ 3.41Å; K903-Y906 HydrophobicContact CB-CE1 3.93Å; K903-Y906 HydrophobicContact CB-CE2 4.25Å; K903-Y906 WeakPolarHBondContact CB-OH 3.48Å; K903-Y906 HydrophobicContact CG-CE2 4.01Å; K903-Y906 WeakPolarHBondContact CG-OH 3.18Å; K903-Y906 VanDerWaalsContact N-CE1 3.28Å; Y906-I909 PolarHBondContact O-N 2.93Å; Y906-L910 HydrophobicContact CD2-CD1 4.08Å; Y906-L910 VanDerWaalsContact O-CB 3.3Å; Y906-L910 WeakPolarHBondContact O-CB 3.24Å; Y906-L910 VanDerWaalsContact O-CG 3.23Å; Y906-L910 WeakPolarHBondContact O-CG 3.48Å; Y906-L910 PolarHBondContact O-N 3.42Å |
| 907 | G | 96.6 | Very high | 95 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -59.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K903 I905 I909 L910 E911 | K903-G907 WeakPolarHBondContact O-CA 3.41Å; K903-G907 PolarHBondContact O-N 3.25Å; I905-G907 VanDerWaalsContact C-N 3.32Å; I905-G907 PolarHBondContact O-N 3Å; G907-I909 VanDerWaalsContact C-N 3.29Å; G907-I909 PolarHBondContact O-N 3.29Å; G907-L910 PolarHBondContact O-N 3Å; G907-E911 PolarHBondContact O-N 3.31Å |
| 908 | P | 97 | Very high | 95.1 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -35.7 | 176.6 | -24.3 | 34 | 0 | 0 | 0 | 113.2 | M886 E911 R912 | M886-P908 HydrophobicContact CE-CB 3.71Å; M886-P908 HydrophobicContact CE-CG 4.01Å; M886-P908 HydrophobicContact SD-CB 4.21Å; P908-E911 PolarHBondContact O-N 3.03Å; P908-R912 WeakPolarHBondContact O-CB 3.23Å; P908-R912 VanDerWaalsContact O-CG 3.29Å; P908-R912 WeakPolarHBondContact O-CG 3.46Å; P908-R912 PolarHBondContact O-N 3.32Å |
| 909 | I | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -49.9 | 177.4 | -63.6 | 171.2 | 0 | 0 | 0 | 110.4 | M603 M612 P879 I882 A883 M886 I905 Y906 G907 E911 R912 V913 | M603-I909 HydrophobicContact SD-CD1 3.99Å; M612-I909 HydrophobicContact CE-CB 4.47Å; M612-I909 HydrophobicContact CE-CD1 3.96Å; M612-I909 HydrophobicContact CE-CG2 3.88Å; M612-I909 HydrophobicContact SD-CB 4.02Å; M612-I909 HydrophobicContact SD-CG2 3.54Å; M612-I909 VanDerWaalsContact SD-CG2 3.54Å; P879-I909 HydrophobicContact CB-CG2 4.32Å; I882-I909 HydrophobicContact CG2-CB 4.45Å; I882-I909 HydrophobicContact CG2-CG1 3.99Å; A883-I909 HydrophobicContact CB-CD1 4.2Å; M886-I909 HydrophobicContact CE-CG1 4.42Å; M886-I909 HydrophobicContact SD-CD1 4.33Å; M886-I909 HydrophobicContact SD-CG1 3.59Å; M886-I909 VanDerWaalsContact SD-CG1 3.59Å; I905-I909 HydrophobicContact CG2-CD1 3.74Å; I905-I909 WeakPolarHBondContact O-CD1 3.32Å; I905-I909 VanDerWaalsContact O-CG1 3.23Å; I905-I909 WeakPolarHBondContact O-CG1 3.42Å; I905-I909 PolarHBondContact O-N 3.24Å; Y906-I909 PolarHBondContact O-N 2.93Å; G907-I909 VanDerWaalsContact C-N 3.29Å; G907-I909 PolarHBondContact O-N 3.29Å; I909-E911 PolarHBondContact O-N 3.1Å; I909-R912 PolarHBondContact O-N 3.36Å; I909-V913 HydrophobicContact CG2-CG1 4.01Å; I909-V913 WeakPolarHBondContact O-CG1 3.19Å; I909-V913 WeakPolarHBondContact O-CG2 3.24Å; I909-V913 PolarHBondContact O-N 2.97Å |
| 910 | L | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 178.3 | -74.6 | 176.9 | 0 | 0 | 0 | 112.4 | L609 M612 L613 E616 Y906 G907 V913 R914 Y920 | L609-L910 HydrophobicContact CD2-CD2 4.17Å; M612-L910 HydrophobicContact CB-CD1 4.05Å; M612-L910 HydrophobicContact CB-CD2 3.78Å; M612-L910 HydrophobicContact CB-CG 3.87Å; L613-L910 HydrophobicContact CD2-CD1 4.43Å; L613-L910 HydrophobicContact CD2-CD2 3.73Å; L613-L910 HydrophobicContact CG-CD2 4.15Å; E616-L910 HydrophobicContact CB-CD1 3.99Å; E616-L910 HydrophobicContact CG-CD1 4.43Å; Y906-L910 HydrophobicContact CD2-CD1 4.08Å; Y906-L910 VanDerWaalsContact O-CB 3.3Å; Y906-L910 WeakPolarHBondContact O-CB 3.24Å; Y906-L910 VanDerWaalsContact O-CG 3.23Å; Y906-L910 WeakPolarHBondContact O-CG 3.48Å; Y906-L910 PolarHBondContact O-N 3.42Å; G907-L910 PolarHBondContact O-N 3Å; L910-V913 WeakPolarHBondContact O-CG2 3.05Å; L910-R914 VanDerWaalsContact O-CG 3.31Å; L910-R914 WeakPolarHBondContact O-CG 3.27Å; L910-R914 PolarHBondContact O-N 3.26Å; L910-Y920 HydrophobicContact CD2-CE1 4.2Å |
| 911 | E | 96.3 | Very high | 94.8 | Very high | 131 Ų | 131 | 48.8 Ų | 48.8 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67 | -49.2 | 174.4 | -174.5 | 178.1 | -178.2 | 0 | 0 | 111.8 | G907 P908 I909 R914 A915 | G907-E911 PolarHBondContact O-N 3.31Å; P908-E911 PolarHBondContact O-N 3.03Å; I909-E911 PolarHBondContact O-N 3.1Å; E911-R914 WeakPolarHBondContact O-CB 3.32Å; E911-R914 PolarHBondContact O-N 3.12Å; E911-A915 PolarHBondContact O-N 2.86Å |
| 912 | R | 97.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 51 Ų | 51 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | -177.8 | -69.1 | 171.9 | -170.5 | -176.6 | 6.8 | 112.7 | I882 E891 P908 I909 R914 A915 E916 | I882-R912 HydrophobicContact CD1-CB 3.69Å; I882-R912 HydrophobicContact CG1-CB 4.12Å; I882-R912 HydrophobicContact CG2-CB 4Å; I882-R912 HydrophobicContact CG2-CG 4.42Å; E891-R912 IonicContact OE1-CZ 3.65Å; E891-R912 IonicContact OE1-NH1 3.72Å; E891-R912 PolarHBondContact OE1-NH1 3.27Å; E891-R912 IonicContact OE1-NH2 2.86Å; E891-R912 PolarHBondContact OE1-NH2 2.85Å; E891-R912 IonicContact OE2-CZ 2.78Å; E891-R912 IonicContact OE2-NH1 2.7Å; E891-R912 IonicContact OE2-NH2 2.7Å; E891-R912 PolarHBondContact OE2-NH2 3.25Å; P908-R912 WeakPolarHBondContact O-CB 3.23Å; P908-R912 VanDerWaalsContact O-CG 3.29Å; P908-R912 WeakPolarHBondContact O-CG 3.46Å; P908-R912 PolarHBondContact O-N 3.32Å; I909-R912 PolarHBondContact O-N 3.36Å; R912-R914 VanDerWaalsContact C-N 3.27Å; R912-R914 PolarHBondContact O-N 2.93Å; R912-A915 WeakPolarHBondContact O-CB 3.48Å; R912-A915 PolarHBondContact O-N 3.47Å; R912-A915 VanDerWaalsContact O-N 3.13Å; R912-E916 PolarHBondContact O-N 2.92Å |
| 913 | V | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -29.4 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | L609 P879 I882 I909 L910 A915 E916 I918 | L609-V913 HydrophobicContact CD2-CG2 4.16Å; P879-V913 HydrophobicContact CG-CG1 3.97Å; I882-V913 HydrophobicContact CD1-CB 4.37Å; I882-V913 HydrophobicContact CD1-CG1 3.45Å; I882-V913 VanDerWaalsContact CD1-CG1 3.45Å; I909-V913 HydrophobicContact CG2-CG1 4.01Å; I909-V913 WeakPolarHBondContact O-CG1 3.19Å; I909-V913 WeakPolarHBondContact O-CG2 3.24Å; I909-V913 PolarHBondContact O-N 2.97Å; L910-V913 WeakPolarHBondContact O-CG2 3.05Å; V913-A915 VanDerWaalsContact C-N 3.31Å; V913-E916 PolarHBondContact O-N 2.96Å; V913-E916 VanDerWaalsContact O-N 3.17Å; V913-I918 HydrophobicContact CB-CB 4.27Å; V913-I918 HydrophobicContact CB-CD1 4.26Å; V913-I918 WeakPolarHBondContact O-CB 3.36Å; V913-I918 PolarHBondContact O-N 3.16Å; V913-I918 VanDerWaalsContact O-N 3.09Å |
| 914 | R | 93.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 172.8 | -75.6 | -177.5 | -138.3 | 132.5 | 1.4 | 111.4 | E616 L910 E911 R912 E916 G917 Y920 | E616-R914 IonicContact OE1-NH2 2.8Å; L910-R914 VanDerWaalsContact O-CG 3.31Å; L910-R914 WeakPolarHBondContact O-CG 3.27Å; L910-R914 PolarHBondContact O-N 3.26Å; E911-R914 WeakPolarHBondContact O-CB 3.32Å; E911-R914 PolarHBondContact O-N 3.12Å; R912-R914 VanDerWaalsContact C-N 3.27Å; R912-R914 PolarHBondContact O-N 2.93Å; R914-E916 PolarHBondContact O-N 3.21Å; R914-G917 PolarHBondContact O-N 2.89Å; R914-Y920 HydrophobicContact CG-CE1 4.29Å; R914-Y920 PolarHBondContact NH2-OH 3.08Å |
| 915 | A | 90.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 72% | 0.719 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.7 | -26.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E911 R912 V913 G917 | E911-A915 PolarHBondContact O-N 2.86Å; R912-A915 WeakPolarHBondContact O-CB 3.48Å; R912-A915 PolarHBondContact O-N 3.47Å; R912-A915 VanDerWaalsContact O-N 3.13Å; V913-A915 VanDerWaalsContact C-N 3.31Å; A915-G917 PolarHBondContact O-N 3.5Å |
| 916 | E | 93 | Very high | 94.4 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 11.8 | 172.5 | -52.9 | -56.9 | 145 | 0 | 0 | 113.3 | Y499 R502 Y878 R912 V913 R914 I918 | Y499-E916 WeakPolarHBondContact CE2-OE1 3.3Å; R502-E916 IonicContact CZ-OE1 2.95Å; R502-E916 IonicContact CZ-OE2 3.67Å; R502-E916 VanDerWaalsContact NH1-CD 3.33Å; R502-E916 IonicContact NH1-OE1 3.96Å; R502-E916 PolarHBondContact NH1-OE1 3.01Å; R502-E916 IonicContact NH1-OE2 3.68Å; R502-E916 PolarHBondContact NH1-OE2 3.26Å; R502-E916 VanDerWaalsContact NH1-OE2 3.13Å; R502-E916 IonicContact NH2-OE1 2.61Å; R502-E916 IonicContact NH2-OE2 3.74Å; R502-E916 PolarHBondContact NH2-OE2 3.38Å; Y878-E916 HydrophobicContact CD1-CB 4.39Å; Y878-E916 HydrophobicContact CD1-CG 3.9Å; Y878-E916 HydrophobicContact CD2-CB 3.85Å; Y878-E916 HydrophobicContact CD2-CG 4.26Å; Y878-E916 HydrophobicContact CE1-CG 4.19Å; Y878-E916 HydrophobicContact CE2-CB 4.01Å; Y878-E916 HydrophobicContact CG-CB 4.06Å; Y878-E916 HydrophobicContact CG-CG 3.95Å; R912-E916 PolarHBondContact O-N 2.92Å; V913-E916 PolarHBondContact O-N 2.96Å; V913-E916 VanDerWaalsContact O-N 3.17Å; R914-E916 PolarHBondContact O-N 3.21Å; E916-I918 PolarHBondContact O-N 3.28Å |
| 917 | G | 89.9 | Confident | 93.5 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 54% | 0.536 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 9.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R914 A915 V919 | R914-G917 PolarHBondContact O-N 2.89Å; A915-G917 PolarHBondContact O-N 3.5Å; G917-V919 PolarHBondContact O-N 3.06Å |
| 918 | I | 95.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -86.1 | 87.1 | 172.7 | -58 | 169.2 | 0 | 0 | 0 | 108.4 | L609 L860 V862 K874 T875 Y878 V913 E916 | L609-I918 HydrophobicContact CD1-CG2 4.11Å; L860-I918 HydrophobicContact CD1-CG2 3.8Å; V862-I918 HydrophobicContact CG2-CG2 4.16Å; K874-I918 HydrophobicContact CB-CD1 4.49Å; T875-I918 HydrophobicContact CG2-CD1 4.16Å; T875-I918 HydrophobicContact CG2-CG1 4.36Å; T875-I918 HydrophobicContact CG2-CG2 4.29Å; Y878-I918 HydrophobicContact CD2-CD1 4.12Å; V913-I918 HydrophobicContact CB-CB 4.27Å; V913-I918 HydrophobicContact CB-CD1 4.26Å; V913-I918 WeakPolarHBondContact O-CB 3.36Å; V913-I918 PolarHBondContact O-N 3.16Å; V913-I918 VanDerWaalsContact O-N 3.09Å; E916-I918 PolarHBondContact O-N 3.28Å | ||
| 919 | V | 93.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 69.9 Ų | 69.9 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | trans | -98.2 | 143.3 | -177.1 | -174 | 0 | 0 | 0 | 0 | 110.5 | G917 | G917-V919 PolarHBondContact O-N 3.06Š| ||
| 920 | Y | 94.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 73.6 Ų | 73.6 | 11% | 0.114 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.7 | 170.8 | 61.5 | -86.6 | 0 | 0 | 0 | 109.8 | L613 E616 I858 D859 L910 R914 | L613-Y920 HydrophobicContact CD2-CD1 3.54Å; L613-Y920 HydrophobicContact CD2-CD2 3.61Å; L613-Y920 HydrophobicContact CD2-CE1 3.43Å; L613-Y920 VanDerWaalsContact CD2-CE1 3.43Å; L613-Y920 HydrophobicContact CD2-CE2 3.48Å; L613-Y920 VanDerWaalsContact CD2-CE2 3.48Å; L613-Y920 HydrophobicContact CD2-CG 3.61Å; E616-Y920 PolarHBondContact OE2-OH 2.86Å; I858-Y920 HydrophobicContact CG2-CD2 3.78Å; I858-Y920 HydrophobicContact CG2-CE2 4.45Å; I858-Y920 HydrophobicContact CG2-CG 4.45Å; D859-Y920 CarbonylContact O-C 3.49Å; D859-Y920 WeakPolarHBondContact O-CA 3.5Å; D859-Y920 WeakPolarHBondContact O-CB 3.49Å; L910-Y920 HydrophobicContact CD2-CE1 4.2Å; R914-Y920 HydrophobicContact CG-CE1 4.29Å; R914-Y920 PolarHBondContact NH2-OH 3.08Å |
| 921 | S | 93.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 77.6 Ų | 77.6 | 46% | 0.462 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 157.5 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | I858 D859 | I858-S921 WeakPolarHBondContact CA-O 3.37Å; D859-S921 PolarHBondContact N-O 3.38Å; D859-S921 PolarHBondContact O-N 3.09Å |
| 922 | T | 92.8 | Very high | 90.1 | Very high | 67 Ų | 67 | 74.5 Ų | 74.5 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.5 | 177.9 | -57 | 0 | 0 | 0 | 0 | 109.3 | K856 F857 I858 | K856-T922 HydrophobicContact CD-CG2 4.23Å; K856-T922 HydrophobicContact CG-CG2 3.96Å; F857-T922 VanDerWaalsContact O-CA 3.25Å; F857-T922 WeakPolarHBondContact O-CA 3.46Å; I858-T922 HydrophobicContact CG1-CG2 4.38Å |
| 923 | H | 93.3 | Very high | 89.7 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.8 | 172.9 | 63.2 | -85.4 | 0 | 0 | 0 | 110.5 | R841 F857 D859 | R841-H923 PolarHBondContact NH1-CE1 2.69Å; R841-H923 VanDerWaalsContact NH1-CE1 3.25Å; F857-H923 WeakPolarHBondContact CB-CE1 3.27Å; F857-H923 WeakPolarHBondContact CB-NE2 3.43Å; F857-H923 AromaticContact CD2-CD2 3.44Å; F857-H923 VanDerWaalsContact CD2-CD2 3.44Å; F857-H923 WeakPolarHBondContact CD2-CD2 3.3Å; F857-H923 AromaticContact CD2-NE2 3.32Å; F857-H923 VanDerWaalsContact CD2-NE2 3.32Å; F857-H923 WeakPolarHBondContact CD2-NE2 3.49Å; F857-H923 AromaticContact CG-CD2 3.99Å; F857-H923 AromaticContact CG-CE1 3.97Å; F857-H923 AromaticContact CG-NE2 3.5Å; F857-H923 WeakPolarHBondContact CG-NE2 3.49Å; F857-H923 PolarHBondContact N-O 3.31Å; F857-H923 PolarHBondContact O-N 2.96Å; D859-H923 IonicContact OD2-CE1 2.73Å; D859-H923 PolarHBondContact OD2-CE1 2.92Å; D859-H923 IonicContact OD2-ND1 2.79Å |
| 924 | S | 93.4 | Very high | 89.3 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 42% | 0.42 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144 | -175.3 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | E854 E855 | E854-S924 WeakPolarHBondContact OE1-CB 3.44Å; E854-S924 PolarHBondContact OE1-OG 3.39Å; E855-S924 CarbonylContact O-C 3.57Å; E855-S924 WeakPolarHBondContact O-CA 3.34Å |
| 925 | V | 92.9 | Very high | 89 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.4 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | E854 E855 F857 | E854-V925 CarbonylContact C-O 3.25Å; E854-V925 WeakPolarHBondContact CA-O 3.41Å; E855-V925 PolarHBondContact N-O 3.5Å; E855-V925 PolarHBondContact O-N 3.4Å; F857-V925 HydrophobicContact CE2-CB 4.26Å; F857-V925 HydrophobicContact CE2-CG2 3.88Å |
| 926 | I | 90.1 | Very high | 88.9 | Confident | 108 Ų | 108 | 77.7 Ų | 77.7 | 55% | 0.554 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.2 | 176.3 | -60.9 | 172.3 | 0 | 0 | 0 | 108.6 | H852 L853 | H852-I926 HydrophobicContact CB-CG2 4.23Å; L853-I926 WeakPolarHBondContact O-CA 3.14Å |
| 927 | K | 77.6 | Confident | 88.5 | Confident | 101 Ų | 101 | 80.8 Ų | 80.8 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.5 | 170.2 | -66.9 | -179.7 | -179.8 | 169.5 | 0 | 107.9 | L853 E855 | L853-K927 PolarHBondContact N-O 2.83Å; L853-K927 PolarHBondContact O-N 3.49Å; E855-K927 VanDerWaalsContact CD-CE 3.5Å; E855-K927 IonicContact OE1-NZ 3.48Å; E855-K927 PolarHBondContact OE1-NZ 2.95Å; E855-K927 WeakPolarHBondContact OE2-CE 3.21Å; E855-K927 IonicContact OE2-NZ 3.44Å; E855-K927 PolarHBondContact OE2-NZ 3.14Å |
| 928 | Q | 54.7 | Low | 88.4 | Confident | 253 Ų | 253 | 83.5 Ų | 83.5 | 100% | 1.182 | 45% | 0.445 | S | S | * | . | trans | -71.4 | 0 | 173.4 | -76.8 | -172.4 | -7.8 | 0 | 0 | 111.2 |
Retrieved 928 of 928 residues in 1566.3 ms
(Link to these results)