| 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 | 38.8 | Very low | 48.5 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 100% | 1.241 | 85% | 0.854 | S | S | * | * | 0 | 109.7 | 0 | -68.6 | -169.2 | -171.5 | 0 | 0 | 108.2 | |||||
| 2 | A | 38.8 | Very low | 51.9 | Low | 104 Ų | 104 | 141.2 Ų | 141.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -128.8 | 104.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S4 | A2-S4 PolarHBondContact O-N 3.16Š| ||
| 3 | A | 43.3 | Very low | 55.1 | Low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -76 | 107.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K5 | A3-K5 PolarHBondContact O-N 3.26Å; A3-K5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | S | 44.3 | Very low | 58.1 | Low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -65.4 | 107.3 | 167.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | A2 N6 | A2-S4 PolarHBondContact O-N 3.16Å; S4-N6 PolarHBondContact O-N 2.97Å | ||
| 5 | K | 45.8 | Very low | 60.7 | Low | 193 Ų | 193 | 118.7 Ų | 118.7 | 84% | 0.839 | 68% | 0.683 | S | S | * | * | trans | -80.5 | 101.6 | 169 | -76.6 | -175.8 | 177.8 | 179.1 | 0 | 108.1 | A3 K7 | A3-K5 PolarHBondContact O-N 3.26Å; A3-K5 VanDerWaalsContact O-N 3.16Å; K5-K7 PolarHBondContact O-N 3.34Å | ||
| 6 | N | 45 | Very low | 63 | Low | 152 Ų | 152 | 116.1 Ų | 116.1 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | -60.9 | 99.6 | 160.7 | -87 | -8.6 | 0 | 0 | 0 | 108.5 | S4 T8 | S4-N6 PolarHBondContact O-N 2.97Å; N6-T8 PolarHBondContact O-N 2.97Å | ||
| 7 | K | 45.2 | Very low | 65.1 | Low | 198 Ų | 198 | 109.3 Ų | 109.3 | 86% | 0.861 | 62% | 0.622 | S | S | * | * | trans | -73.6 | 99.7 | 160.4 | -89.1 | -175.6 | 175.1 | -179.3 | 0 | 106.7 | K5 Q9 | K5-K7 PolarHBondContact O-N 3.34Å; K7-Q9 PolarHBondContact O-N 3.21Å | ||
| 8 | T | 46.5 | Very low | 66.9 | Low | 133 Ų | 133 | 103.4 Ų | 103.4 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | trans | -56.6 | 105.5 | 159.3 | -19 | 0 | 0 | 0 | 0 | 106.1 | N6 S10 | N6-T8 PolarHBondContact O-N 2.97Å; T8-S10 VanDerWaalsContact C-N 3.34Å; T8-S10 PolarHBondContact O-N 2.91Å | ||
| 9 | Q | 46.3 | Very low | 68.5 | Low | 184 Ų | 184 | 98 Ų | 98 | 86% | 0.86 | 56% | 0.558 | S | S | * | * | trans | -60.7 | 102.9 | 169.3 | -103.4 | 179.7 | -22.3 | 0 | 0 | 106.5 | K7 S11 | K7-Q9 PolarHBondContact O-N 3.21Å; Q9-S11 PolarHBondContact O-N 3.47Å | ||
| 10 | S | 59.5 | Low | 69.8 | Low | 112 Ų | 112 | 93.3 Ų | 93.3 | 78% | 0.783 | 53% | 0.531 | S | S | * | . | trans | -63.7 | 106.1 | 168.6 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | T8 L12 | T8-S10 VanDerWaalsContact C-N 3.34Å; T8-S10 PolarHBondContact O-N 2.91Å; S10-L12 PolarHBondContact O-N 3.04Å | ||
| 11 | S | 80.5 | Confident | 71 | Confident | 106 Ų | 106 | 88.9 Ų | 88.9 | 74% | 0.741 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 131.9 | 171.6 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | Q9 | Q9-S11 PolarHBondContact O-N 3.47Š|
| 12 | L | 88.4 | Confident | 73.6 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 27% | 0.272 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 143.5 | 174.4 | -62 | 174.1 | 0 | 0 | 0 | 110.2 | S10 L14 K54 E61 | S10-L12 PolarHBondContact O-N 3.04Å; L12-L14 PolarHBondContact O-N 3.16Å; L12-K54 HydrophobicContact CD1-CD 3.86Å; L12-K54 HydrophobicContact CD1-CG 4.23Å; L12-E61 HydrophobicContact CD1-CG 4.18Å; L12-E61 HydrophobicContact CD2-CB 4.08Å; L12-E61 HydrophobicContact CD2-CG 3.99Å; L12-E61 WeakPolarHBondContact CD2-O 3.46Å |
| 13 | A | 94.3 | Very high | 76.1 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V62 Q63 | A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.11Å; A13-Q63 PolarHBondContact O-N 3.48Å |
| 14 | L | 96.6 | Very high | 78.4 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.4 | 176.7 | -174.3 | 66.2 | 0 | 0 | 0 | 109.5 | L12 Q63 D65 K180 | L12-L14 PolarHBondContact O-N 3.16Å; L14-Q63 CarbonylContact C-O 3.54Å; L14-Q63 VanDerWaalsContact CA-O 3.31Å; L14-Q63 WeakPolarHBondContact CA-O 3.44Å; L14-Q63 HydrophobicContact CD1-CB 3.9Å; L14-Q63 HydrophobicContact CD1-CG 3.79Å; L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-K180 PolarHBondContact O-NZ 2.94Å |
| 15 | H | 97.8 | Very high | 80.8 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.3 | 175.1 | -65.6 | -55.1 | 0 | 0 | 0 | 110 | Q63 I64 D65 E87 M173 V176 | H15-Q63 PolarHBondContact N-O 3.5Å; H15-I64 WeakPolarHBondContact O-CA 3.48Å; H15-D65 PolarHBondContact O-N 2.99Å; H15-E87 WeakPolarHBondContact CA-OE2 3.47Å; H15-M173 HydrophobicContact CB-CG 4.08Å; H15-V176 WeakPolarHBondContact ND1-CG1 3.41Å |
| 16 | K | 97.8 | Very high | 83.1 | Confident | 77 Ų | 77 | 59 Ų | 59 | 34% | 0.335 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.8 | -179.1 | -61.8 | 179 | 179.4 | -178.9 | 0 | 111.1 | D65 S85 E87 G88 | K16-D65 CarbonylContact C-O 3.5Å; K16-D65 WeakPolarHBondContact CA-O 3.36Å; K16-D65 HydrophobicContact CG-CB 4.37Å; K16-S85 VanDerWaalsContact CD-O 3.3Å; K16-S85 WeakPolarHBondContact CD-O 3.46Å; K16-E87 HydrophobicContact CB-CB 4.38Å; K16-E87 HydrophobicContact CB-CG 4.07Å; K16-E87 PolarHBondContact N-OE2 2.88Å; K16-E87 WeakPolarHBondContact O-CA 3.43Å; K16-E87 PolarHBondContact O-N 3.35Å; K16-G88 PolarHBondContact O-N 2.94Å; K16-G88 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 98.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 179.8 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | I64 D65 I66 L67 G88 L90 F169 L172 | V17-I64 HydrophobicContact CB-CD1 4.48Å; V17-I64 HydrophobicContact CG2-CD1 3.97Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; V17-D65 PolarHBondContact N-O 3.16Å; V17-I66 CarbonylContact O-C 3.4Å; V17-I66 WeakPolarHBondContact O-CA 3.38Å; V17-L67 PolarHBondContact O-N 2.87Å; V17-G88 WeakPolarHBondContact CA-O 3.47Å; V17-L90 HydrophobicContact CG1-CD1 4.37Å; V17-L90 HydrophobicContact CG1-CG 4.21Å; V17-F169 HydrophobicContact CG1-CD1 4.47Å; V17-F169 HydrophobicContact CG1-CE1 4.46Å; V17-L172 HydrophobicContact CB-CD2 4.3Å; V17-L172 HydrophobicContact CG1-CD2 3.61Å; V17-L172 HydrophobicContact CG2-CD2 3.84Å; V17-L172 HydrophobicContact CG2-CG 4.45Å |
| 18 | I | 97.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.6 | 175.8 | -46.4 | -59.5 | 0 | 0 | 0 | 109.2 | V20 L67 T69 F83 G88 F89 L90 | I18-V20 HydrophobicContact CB-CG2 4.37Å; I18-V20 HydrophobicContact CG2-CG2 3.83Å; I18-L67 HydrophobicContact CD1-CB 3.67Å; I18-L67 HydrophobicContact CD1-CD2 3.87Å; I18-L67 HydrophobicContact CD1-CG 4.43Å; I18-L67 HydrophobicContact CG2-CD2 4.42Å; I18-T69 HydrophobicContact CG2-CG2 4.25Å; I18-F83 HydrophobicContact CG2-CD1 4.49Å; I18-G88 PolarHBondContact N-O 2.97Å; I18-F89 HydrophobicContact CB-CD1 3.88Å; I18-F89 HydrophobicContact CB-CE1 4.06Å; I18-F89 HydrophobicContact CG1-CD1 4.26Å; I18-F89 HydrophobicContact CG1-CE1 3.99Å; I18-L90 PolarHBondContact O-N 3.21Å |
| 19 | M | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.8 | 171.6 | -55.4 | -60.8 | -75.3 | 0 | 0 | 109.2 | K27 L30 I66 L67 T69 L90 V92 F169 | M19-K27 HydrophobicContact CB-CB 4.04Å; M19-K27 HydrophobicContact CB-CD 4.2Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.46Å; M19-L30 HydrophobicContact CE-CB 4.05Å; M19-L30 HydrophobicContact CE-CD1 4.33Å; M19-I66 HydrophobicContact CG-CG2 3.73Å; M19-I66 HydrophobicContact SD-CG2 4.09Å; M19-L67 PolarHBondContact N-O 2.87Å; M19-T69 WeakPolarHBondContact O-CG2 3.26Å; M19-T69 PolarHBondContact O-OG1 3.07Å; M19-L90 HydrophobicContact CE-CB 4.45Å; M19-L90 HydrophobicContact CE-CD1 4.2Å; M19-L90 HydrophobicContact SD-CB 3.97Å; M19-L90 HydrophobicContact SD-CD1 3.76Å; M19-L90 HydrophobicContact SD-CG 4.32Å; M19-V92 HydrophobicContact CE-CG2 3.98Å; M19-F169 HydrophobicContact CE-CE1 4.44Å; M19-F169 HydrophobicContact CE-CZ 4Å; M19-F169 HydrophobicContact SD-CE1 3.79Å; M19-F169 HydrophobicContact SD-CZ 3.95Å |
| 20 | V | 95.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.2 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | I18 F83 F89 L90 L91 V92 F107 I111 | I18-V20 HydrophobicContact CB-CG2 4.37Å; I18-V20 HydrophobicContact CG2-CG2 3.83Å; V20-F83 HydrophobicContact CG1-CE1 4.24Å; V20-F83 HydrophobicContact CG1-CZ 4.12Å; V20-F83 HydrophobicContact CG2-CE1 3.74Å; V20-F83 HydrophobicContact CG2-CZ 4.42Å; V20-F89 HydrophobicContact CG2-CD1 4.06Å; V20-L90 PolarHBondContact N-O 3.31Å; V20-L91 HydrophobicContact CB-CD1 4.34Å; V20-L91 HydrophobicContact CG1-CD1 4.22Å; V20-L91 CarbonylContact O-C 3.45Å; V20-L91 WeakPolarHBondContact O-CA 2.95Å; V20-V92 PolarHBondContact O-N 2.88Å; V20-F107 HydrophobicContact CG1-CB 3.72Å; V20-F107 HydrophobicContact CG1-CD1 3.54Å; V20-F107 HydrophobicContact CG1-CD2 4.47Å; V20-F107 HydrophobicContact CG1-CE1 4.28Å; V20-F107 HydrophobicContact CG1-CG 3.66Å; V20-I111 HydrophobicContact CG1-CD1 4.44Å; V20-I111 HydrophobicContact CG2-CD1 4.31Å |
| 21 | G | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 151 | 165.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K27 G71 V92 | G21-K27 PolarHBondContact O-NZ 3.21Å; G21-G71 WeakPolarHBondContact O-CA 3.24Å; G21-V92 WeakPolarHBondContact CA-O 3.15Å |
| 22 | S | 93.1 | Very high | 95 | Very high | 26 Ų | 26 | 19.8 Ų | 19.8 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | trans | -56.9 | 162.9 | -178.8 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | V25 K27 A103 | S22-V25 WeakPolarHBondContact O-CG1 3.34Å; S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.38Å; S22-K27 PolarHBondContact O-NZ 2.8Å; S22-A103 WeakPolarHBondContact OG-CB 3.3Å | ||
| 23 | G | 91.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 17.9 Ų | 17.9 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 146.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V25 | G23-V25 VanDerWaalsContact C-N 3.25Å; G23-V25 PolarHBondContact O-N 3.31Å; G23-V25 VanDerWaalsContact O-N 3.16Å |
| 24 | G | 91.2 | Very high | 95.6 | Very high | 59 Ų | 59 | 16.2 Ų | 16.2 | 61% | 0.608 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G26 K129 | G24-G26 PolarHBondContact O-N 3.39Å; G24-K129 WeakPolarHBondContact O-CE 3.32Å; G24-K129 PolarHBondContact O-NZ 3.46Å |
| 25 | V | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -72.5 | -14.7 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | S22 G23 K27 V92 N128 | S22-V25 WeakPolarHBondContact O-CG1 3.34Å; S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.38Å; G23-V25 VanDerWaalsContact C-N 3.25Å; G23-V25 PolarHBondContact O-N 3.31Å; G23-V25 VanDerWaalsContact O-N 3.16Å; V25-K27 HydrophobicContact CG2-CD 4.42Å; V25-K27 HydrophobicContact CG2-CG 3.73Å; V25-V92 HydrophobicContact CB-CG1 4.44Å; V25-V92 HydrophobicContact CG2-CB 4.11Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; V25-N128 PolarHBondContact O-ND2 3.43Å |
| 26 | G | 94.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 98.7 | 28.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G24 A29 L30 | G24-G26 PolarHBondContact O-N 3.39Å; G26-A29 PolarHBondContact O-N 2.88Å; G26-L30 WeakPolarHBondContact O-CG 3.46Å; G26-L30 PolarHBondContact O-N 3.18Å |
| 27 | K | 95.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.8 | -49.3 | 173.8 | -60.7 | -175 | -59.8 | -76.2 | 0 | 112.6 | M19 G21 S22 V25 L30 T31 D68 T69 A70 V92 | M19-K27 HydrophobicContact CB-CB 4.04Å; M19-K27 HydrophobicContact CB-CD 4.2Å; M19-K27 HydrophobicContact CB-CG 4.33Å; M19-K27 HydrophobicContact CE-CB 4.46Å; G21-K27 PolarHBondContact O-NZ 3.21Å; S22-K27 PolarHBondContact O-NZ 2.8Å; V25-K27 HydrophobicContact CG2-CD 4.42Å; V25-K27 HydrophobicContact CG2-CG 3.73Å; K27-L30 PolarHBondContact O-N 2.81Å; K27-T31 WeakPolarHBondContact O-CB 3.4Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 2.81Å; K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.32Å; K27-T69 WeakPolarHBondContact CE-O 3.31Å; K27-A70 PolarHBondContact NZ-O 3.05Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.45Å |
| 28 | S | 93.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 12% | 0.119 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 177.2 | -39.6 | 0 | 0 | 0 | 0 | 111.2 | L30 T31 L32 T46 D68 | S28-L30 PolarHBondContact O-N 3.01Å; S28-T31 PolarHBondContact O-N 3.36Å; S28-T31 VanDerWaalsContact O-N 3.17Å; S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 3.21Å; S28-T46 PolarHBondContact OG-OG1 2.83Å; S28-D68 WeakPolarHBondContact CA-OD2 3.38Å; S28-D68 WeakPolarHBondContact CB-OD2 3.32Å; S28-D68 PolarHBondContact N-OD1 3.3Å; S28-D68 PolarHBondContact OG-OD1 2.92Å; S28-D68 PolarHBondContact OG-OD2 2.79Å |
| 29 | A | 95.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G26 Q33 F39 A159 | G26-A29 PolarHBondContact O-N 2.88Å; A29-Q33 WeakPolarHBondContact O-CB 3.22Å; A29-Q33 PolarHBondContact O-N 2.74Å; A29-F39 HydrophobicContact CB-CD2 4.49Å; A29-F39 HydrophobicContact CB-CE2 4.27Å; A29-A159 HydrophobicContact CB-CB 3.67Å |
| 30 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 173.8 | -72.8 | 172.6 | 0 | 0 | 0 | 111.9 | M19 G26 K27 S28 F34 V92 V126 N128 A159 V165 F169 | M19-L30 HydrophobicContact CE-CB 4.05Å; M19-L30 HydrophobicContact CE-CD1 4.33Å; G26-L30 WeakPolarHBondContact O-CG 3.46Å; G26-L30 PolarHBondContact O-N 3.18Å; K27-L30 PolarHBondContact O-N 2.81Å; S28-L30 PolarHBondContact O-N 3.01Å; L30-F34 WeakPolarHBondContact O-CB 3.37Å; L30-F34 PolarHBondContact O-N 2.75Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.21Å; L30-V126 HydrophobicContact CD1-CG1 4.27Å; L30-N128 HydrophobicContact CD1-CB 4.32Å; L30-A159 HydrophobicContact CD2-CB 3.92Å; L30-A159 HydrophobicContact CG-CB 4.2Å; L30-V165 HydrophobicContact CD2-CG1 4.4Å; L30-V165 HydrophobicContact CD2-CG2 3.73Å; L30-F169 HydrophobicContact CB-CE2 4.5Å |
| 31 | T | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | K27 S28 Q33 F34 M35 Y51 I66 | K27-T31 WeakPolarHBondContact O-CB 3.4Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 2.81Å; S28-T31 PolarHBondContact O-N 3.36Å; S28-T31 VanDerWaalsContact O-N 3.17Å; T31-Q33 PolarHBondContact O-N 2.8Å; T31-F34 PolarHBondContact O-N 2.86Å; T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.24Å; T31-M35 WeakPolarHBondContact O-CG 3.1Å; T31-M35 PolarHBondContact O-N 2.79Å; T31-Y51 HydrophobicContact CG2-CD2 3.51Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 3.91Å; T31-I66 HydrophobicContact CG2-CB 4.28Å; T31-I66 HydrophobicContact CG2-CD1 4.34Å; T31-I66 HydrophobicContact CG2-CG2 3.82Å |
| 32 | L | 94.8 | Very high | 91.1 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | -180 | -66.5 | 175.7 | 0 | 0 | 0 | 112 | S28 F34 M35 Y36 V40 Y43 Y51 | S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 3.21Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 2.75Å; L32-M35 PolarHBondContact O-N 2.7Å; L32-Y36 HydrophobicContact CD2-CD2 3.86Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 3.25Å; L32-V40 HydrophobicContact CD1-CG2 4.46Å; L32-Y43 HydrophobicContact CD1-CD2 3.76Å; L32-Y43 HydrophobicContact CD1-CE2 3.61Å; L32-Y51 HydrophobicContact CD2-CE1 3.9Å |
| 33 | Q | 96.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.2 | -179.5 | 63.4 | -87.9 | 0 | 0 | 110.7 | A29 T31 D37 E38 A159 R162 V165 | A29-Q33 WeakPolarHBondContact O-CB 3.22Å; A29-Q33 PolarHBondContact O-N 2.74Å; T31-Q33 PolarHBondContact O-N 2.8Å; Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.4Å; Q33-D37 PolarHBondContact O-N 2.85Å; Q33-D37 VanDerWaalsContact OE1-C 3.22Å; Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.24Å; Q33-E38 PolarHBondContact N-O 2.79Å; Q33-A159 PolarHBondContact NE2-O 2.84Å; Q33-R162 HydrophobicContact CG-CB 4.27Å; Q33-R162 HydrophobicContact CG-CG 3.86Å; Q33-R162 PolarHBondContact O-NH1 3.43Å; Q33-V165 HydrophobicContact CB-CG1 4.25Å; Q33-V165 HydrophobicContact CG-CB 4.35Å; Q33-V165 HydrophobicContact CG-CG1 3.99Å; Q33-V165 HydrophobicContact CG-CG2 4.06Å |
| 34 | F | 97.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 175.7 | 177.8 | -103.8 | 0 | 0 | 0 | 113.7 | L30 T31 L32 K53 V55 I64 I66 V165 D166 F169 F170 | L30-F34 WeakPolarHBondContact O-CB 3.37Å; L30-F34 PolarHBondContact O-N 2.75Å; T31-F34 PolarHBondContact O-N 2.86Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 2.75Å; F34-K53 PolarHBondContact O-NZ 2.79Å; F34-V55 HydrophobicContact CZ-CG1 4.19Å; F34-I64 HydrophobicContact CE1-CD1 4.12Å; F34-I64 HydrophobicContact CE1-CG2 3.93Å; F34-I64 HydrophobicContact CZ-CD1 4.48Å; F34-I64 HydrophobicContact CZ-CG2 4.44Å; F34-I66 HydrophobicContact CD1-CD1 3.58Å; F34-I66 HydrophobicContact CE1-CD1 3.91Å; F34-V165 HydrophobicContact CB-CG1 3.94Å; F34-D166 WeakPolarHBondContact CD2-OD1 3.45Å; F34-F169 HydrophobicContact CB-CD2 3.61Å; F34-F169 HydrophobicContact CB-CE2 3.46Å; F34-F169 VanDerWaalsContact CB-CE2 3.46Å; F34-F169 HydrophobicContact CB-CG 4.48Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CD1 4.39Å; F34-F169 HydrophobicContact CD1-CD2 4.03Å; F34-F169 HydrophobicContact CD1-CE2 4.34Å; F34-F169 HydrophobicContact CD1-CG 4.07Å; F34-F169 HydrophobicContact CD2-CB 4.01Å; F34-F169 AromaticContact CD2-CD2 3.56Å; F34-F169 HydrophobicContact CD2-CD2 3.56Å; F34-F169 HydrophobicContact CD2-CE2 4.33Å; F34-F169 AromaticContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CE1-CB 4.32Å; F34-F169 HydrophobicContact CE1-CG 4.28Å; F34-F169 HydrophobicContact CE2-CB 3.76Å; F34-F169 HydrophobicContact CE2-CD2 4.21Å; F34-F169 HydrophobicContact CE2-CG 4.19Å; F34-F169 HydrophobicContact CG-CB 4.38Å; F34-F169 AromaticContact CG-CD2 3.44Å; F34-F169 HydrophobicContact CG-CD2 3.44Å; F34-F169 VanDerWaalsContact CG-CD2 3.44Å; F34-F169 AromaticContact CG-CE2 3.8Å; F34-F169 HydrophobicContact CG-CE2 3.8Å; F34-F169 AromaticContact CG-CG 3.9Å; F34-F169 HydrophobicContact CG-CG 3.9Å; F34-F169 HydrophobicContact CG-CZ 4.5Å; F34-F169 HydrophobicContact CZ-CB 3.92Å; F34-F169 HydrophobicContact CZ-CG 4.32Å; F34-F170 HydrophobicContact CE2-CD2 4.33Å; F34-F170 AromaticContact CE2-CE2 3.97Å; F34-F170 HydrophobicContact CE2-CE2 3.97Å |
| 35 | M | 95.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75 | -48.9 | -175.9 | -73.5 | -64.3 | -60.5 | 0 | 0 | 112.3 | T31 L32 Y51 K53 I66 | T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.24Å; T31-M35 WeakPolarHBondContact O-CG 3.1Å; T31-M35 PolarHBondContact O-N 2.79Å; L32-M35 PolarHBondContact O-N 2.7Å; M35-Y51 HydrophobicContact CE-CD1 4.47Å; M35-Y51 HydrophobicContact CG-CD1 4.34Å; M35-Y51 HydrophobicContact CG-CG 4.31Å; M35-K53 HydrophobicContact CE-CB 3.79Å; M35-K53 PolarHBondContact O-NZ 3.28Å; M35-K53 HydrophobicContact SD-CB 3.67Å; M35-K53 HydrophobicContact SD-CD 4.1Å; M35-I66 HydrophobicContact SD-CD1 4.2Å |
| 36 | Y | 94.1 | Very high | 86.1 | Confident | 127 Ų | 127 | 61 Ų | 61 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -123.3 | -1.4 | -165.1 | -53.7 | -57.4 | 0 | 0 | 0 | 114.4 | L32 E38 Y51 | L32-Y36 HydrophobicContact CD2-CD2 3.86Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 3.25Å; Y36-E38 PolarHBondContact O-N 2.89Å; Y36-Y51 HydrophobicContact CE2-CD1 4.22Å; Y36-Y51 HydrophobicContact CE2-CE1 4.16Å |
| 37 | D | 93.3 | Very high | 84.8 | Confident | 101 Ų | 101 | 69.5 Ų | 69.5 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 60.3 | 32.2 | -176.3 | -50.6 | -20.2 | 0 | 0 | 0 | 112.8 | Q33 R162 | Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.4Å; Q33-D37 PolarHBondContact O-N 2.85Å; Q33-D37 VanDerWaalsContact OE1-C 3.22Å; D37-R162 VanDerWaalsContact CG-NH1 3.32Å; D37-R162 IonicContact OD1-CZ 2.79Å; D37-R162 IonicContact OD1-NH1 3.47Å; D37-R162 PolarHBondContact OD1-NH1 3.34Å; D37-R162 IonicContact OD1-NH2 2.7Å; D37-R162 PolarHBondContact OD1-NH2 3.05Å |
| 38 | E | 88.1 | Confident | 83.8 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | trans | -120.2 | 143.1 | -178.7 | -70.6 | -177.6 | 175.2 | 0 | 0 | 111.6 | Q33 Y36 | Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.24Å; Q33-E38 PolarHBondContact N-O 2.79Å; Y36-E38 PolarHBondContact O-N 2.89Å | ||
| 39 | F | 88.4 | Confident | 83.5 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | trans | -114.1 | 117.6 | 169.7 | 177.8 | -113.2 | 0 | 0 | 0 | 109.5 | A29 E41 A159 K160 | A29-F39 HydrophobicContact CB-CD2 4.49Å; A29-F39 HydrophobicContact CB-CE2 4.27Å; F39-E41 HydrophobicContact CD1-CG 3.92Å; F39-E41 HydrophobicContact CE1-CB 4.46Å; F39-E41 HydrophobicContact CE1-CG 3.25Å; F39-E41 HydrophobicContact CZ-CG 3.92Å; F39-A159 HydrophobicContact CD2-CB 4.23Å; F39-A159 WeakPolarHBondContact CD2-O 3.35Å; F39-A159 HydrophobicContact CE2-CB 4.21Å; F39-K160 HydrophobicContact CD1-CB 4.25Å; F39-K160 HydrophobicContact CD1-CG 4.03Å; F39-K160 HydrophobicContact CD2-CB 4.37Å; F39-K160 HydrophobicContact CE1-CB 3.91Å; F39-K160 HydrophobicContact CE1-CD 4.07Å; F39-K160 HydrophobicContact CE1-CG 3.76Å; F39-K160 HydrophobicContact CE2-CB 4.1Å; F39-K160 HydrophobicContact CG-CB 4.45Å; F39-K160 HydrophobicContact CZ-CB 3.86Å; F39-K160 HydrophobicContact CZ-CD 4.47Å; F39-K160 HydrophobicContact CZ-CG 4.2Å | ||
| 40 | V | 80.1 | Confident | 83.4 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | trans | -105.5 | 113.3 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 108 | L32 D42 | L32-V40 HydrophobicContact CD1-CG2 4.46Å; V40-D42 WeakPolarHBondContact CG1-O 3.39Å | ||
| 41 | E | 72.7 | Confident | 83.2 | Confident | 134 Ų | 134 | 77 Ų | 77 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -71 | -46 | -179.7 | -77.4 | -171.9 | 166.2 | 0 | 0 | 111.8 | F39 Y43 K160 | F39-E41 HydrophobicContact CD1-CG 3.92Å; F39-E41 HydrophobicContact CE1-CB 4.46Å; F39-E41 HydrophobicContact CE1-CG 3.25Å; F39-E41 HydrophobicContact CZ-CG 3.92Å; E41-Y43 PolarHBondContact O-N 2.79Å; E41-K160 IonicContact OE1-NZ 3.17Å; E41-K160 PolarHBondContact OE1-NZ 2.68Å |
| 42 | D | 68.7 | Low | 83.3 | Confident | 156 Ų | 156 | 83.3 Ų | 83.3 | 83% | 0.834 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -97.7 | 88.4 | 179.1 | -65.7 | -40.4 | 0 | 0 | 0 | 110 | V40 | V40-D42 WeakPolarHBondContact CG1-O 3.39Š|
| 43 | Y | 67.8 | Low | 83.3 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 35% | 0.349 | 42% | 0.419 | S | S | . | . | trans | -104.5 | 128.1 | 175.5 | -168.9 | -91.4 | 0 | 0 | 0 | 110.6 | L32 E41 T46 | L32-Y43 HydrophobicContact CD1-CD2 3.76Å; L32-Y43 HydrophobicContact CD1-CE2 3.61Å; E41-Y43 PolarHBondContact O-N 2.79Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.33Å | ||
| 44 | E | 66.7 | Low | 83.3 | Confident | 169 Ų | 169 | 90.5 Ų | 90.5 | 79% | 0.79 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 133.7 | 174.3 | -69 | -169.6 | 161 | 0 | 0 | 110.1 | T46 | E44-T46 PolarHBondContact O-N 2.81Š|
| 45 | P | 67.8 | Low | 83.3 | Confident | 129 Ų | 129 | 91 Ų | 91 | 84% | 0.838 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -47.2 | 117.5 | 179.7 | -28.9 | 34.6 | 0 | 0 | 0 | 113.1 | ||
| 46 | T | 63.1 | Low | 83.4 | Confident | 17 Ų | 17 | 94.8 Ų | 94.8 | 10% | 0.104 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 142.6 | -178.1 | -45.6 | 0 | 0 | 0 | 0 | 110.5 | S28 Y43 E44 D49 D68 A70 | S28-T46 PolarHBondContact OG-OG1 2.83Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.33Å; E44-T46 PolarHBondContact O-N 2.81Å; T46-D49 HydrophobicContact CG2-CB 4.36Å; T46-D68 PolarHBondContact OG1-OD2 3.43Å; T46-A70 VanDerWaalsContact O-CA 3.28Å; T46-A70 WeakPolarHBondContact O-CA 3.35Å; T46-A70 WeakPolarHBondContact O-CB 3.47Å |
| 47 | K | 67.9 | Low | 83.6 | Confident | 195 Ų | 195 | 88.7 Ų | 88.7 | 85% | 0.848 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -78.9 | -64.4 | 164.2 | -171.8 | 174.9 | -179.1 | 177.1 | 0 | 110.7 | ||
| 48 | A | 75.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 28% | 0.281 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 138.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | D68 Y82 | A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.24Å; A48-D68 WeakPolarHBondContact CA-O 3.5Å; A48-Y82 HydrophobicContact CB-CE2 4.42Å |
| 49 | D | 87.1 | Confident | 84 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150 | 179.2 | -152.4 | -6.5 | 0 | 0 | 0 | 112.4 | T46 Y51 D68 | T46-D49 HydrophobicContact CG2-CB 4.36Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; D49-D68 PolarHBondContact N-O 3.49Å; D49-D68 PolarHBondContact O-N 3.29Å |
| 50 | S | 91.7 | Very high | 84.3 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.2 | -176.7 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | D65 I66 | S50-D65 PolarHBondContact OG-OD1 3.32Å; S50-I66 CarbonylContact C-O 3.5Å; S50-I66 WeakPolarHBondContact CA-O 3.39Å |
| 51 | Y | 94.9 | Very high | 85.1 | Confident | 24 Ų | 24 | 88.8 Ų | 88.8 | 9% | 0.094 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.1 | -177.1 | -64.3 | -89.8 | 0 | 0 | 0 | 110.2 | T31 L32 M35 Y36 D49 D65 I66 D68 | T31-Y51 HydrophobicContact CG2-CD2 3.51Å; T31-Y51 HydrophobicContact CG2-CE2 3.98Å; T31-Y51 HydrophobicContact CG2-CG 3.91Å; L32-Y51 HydrophobicContact CD2-CE1 3.9Å; M35-Y51 HydrophobicContact CE-CD1 4.47Å; M35-Y51 HydrophobicContact CG-CD1 4.34Å; M35-Y51 HydrophobicContact CG-CG 4.31Å; Y36-Y51 HydrophobicContact CE2-CD1 4.22Å; Y36-Y51 HydrophobicContact CE2-CE1 4.16Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; Y51-D65 CarbonylContact O-C 3.49Å; Y51-D65 WeakPolarHBondContact O-CA 3.49Å; Y51-I66 PolarHBondContact N-O 2.74Å; Y51-I66 PolarHBondContact O-N 3.08Å; Y51-D68 HydrophobicContact CD2-CB 4.47Å; Y51-D68 HydrophobicContact CE2-CB 4.1Å |
| 52 | R | 96.8 | Very high | 86.3 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.4 | -177 | -163.8 | 177.5 | -74.8 | -170.3 | -2.1 | 112.2 | Q63 I64 D65 | R52-Q63 HydrophobicContact CG-CG 3.55Å; R52-Q63 VanDerWaalsContact CG-NE2 3.33Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.12Å; R52-I64 WeakPolarHBondContact CG-O 3.34Å; R52-D65 IonicContact CZ-OD2 3.88Å; R52-D65 IonicContact NE-OD2 3.49Å; R52-D65 PolarHBondContact NE-OD2 3.13Å; R52-D65 IonicContact NH2-OD2 3.37Å; R52-D65 PolarHBondContact NH2-OD2 3.43Å |
| 53 | K | 94.8 | Very high | 87.7 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.1 | -179.2 | -175.2 | 168.6 | 177.2 | 170.5 | 0 | 110.5 | F34 M35 V55 Q63 I64 | F34-K53 PolarHBondContact O-NZ 2.79Å; M35-K53 HydrophobicContact CE-CB 3.79Å; M35-K53 PolarHBondContact O-NZ 3.28Å; M35-K53 HydrophobicContact SD-CB 3.67Å; M35-K53 HydrophobicContact SD-CD 4.1Å; K53-V55 HydrophobicContact CD-CG1 4.33Å; K53-V55 HydrophobicContact CG-CG1 3.99Å; K53-Q63 WeakPolarHBondContact O-CA 3.34Å; K53-I64 HydrophobicContact CB-CG2 4.12Å; K53-I64 PolarHBondContact N-O 2.67Å; K53-I64 VanDerWaalsContact N-O 3.07Å; K53-I64 PolarHBondContact O-N 3.34Å |
| 54 | K | 97.6 | Very high | 89.1 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.8 | 167.2 | -67.2 | -173.8 | 177.7 | -169.6 | 0 | 108.8 | L12 E61 V62 | L12-K54 HydrophobicContact CD1-CD 3.86Å; L12-K54 HydrophobicContact CD1-CG 4.23Å; K54-E61 WeakPolarHBondContact CD-OE1 3.38Å; K54-E61 IonicContact NZ-OE1 2.68Å; K54-V62 WeakPolarHBondContact CA-O 3.46Å |
| 55 | V | 97.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.6 | -178 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | F34 K53 V62 I64 F170 M173 | F34-V55 HydrophobicContact CZ-CG1 4.19Å; K53-V55 HydrophobicContact CD-CG1 4.33Å; K53-V55 HydrophobicContact CG-CG1 3.99Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 3.02Å; V55-V62 PolarHBondContact O-N 2.98Å; V55-V62 VanDerWaalsContact O-O 3.11Å; V55-I64 HydrophobicContact CG1-CG2 4.39Å; V55-I64 HydrophobicContact CG2-CG2 4.46Å; V55-F170 HydrophobicContact CB-CE1 4.29Å; V55-F170 HydrophobicContact CB-CZ 4.17Å; V55-F170 HydrophobicContact CG2-CE1 4.35Å; V55-M173 HydrophobicContact CG2-CE 3.92Å; V55-M173 HydrophobicContact CG2-SD 4.02Å |
| 56 | V | 97.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 58% | 0.576 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.2 | 173.1 | -180 | 0 | 0 | 0 | 0 | 108.4 | E60 F170 | V56-E60 CarbonylContact C-O 3.55Å; V56-E60 WeakPolarHBondContact CA-O 3.49Å; V56-F170 WeakPolarHBondContact O-CE1 3.19Å |
| 57 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 103.5 | 178.7 | -180 | 68.7 | 0 | 0 | 0 | 109.8 | G59 E60 V62 F170 M173 R174 R177 | L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.31Å; L57-E60 PolarHBondContact N-O 3.43Å; L57-E60 PolarHBondContact O-N 2.93Å; L57-E60 VanDerWaalsContact O-N 3.16Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-V62 HydrophobicContact CD2-CG2 4.3Å; L57-F170 HydrophobicContact CD1-CD1 3.65Å; L57-F170 HydrophobicContact CD1-CE1 4.38Å; L57-M173 HydrophobicContact CD1-CB 4.14Å; L57-M173 HydrophobicContact CD1-CE 4.38Å; L57-M173 HydrophobicContact CD2-CB 3.87Å; L57-R174 HydrophobicContact CD1-CG 3.9Å; L57-R177 PolarHBondContact O-NH1 3.05Å |
| 58 | D | 95.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 42.3 | 179.7 | -50.4 | -37.3 | 0 | 0 | 0 | 113.2 | R174 R177 | D58-R174 IonicContact OD1-CZ 3.67Å; D58-R174 IonicContact OD1-NE 3.08Å; D58-R174 PolarHBondContact OD1-NE 2.9Å; D58-R174 VanDerWaalsContact OD1-NE 3.13Å; D58-R174 IonicContact OD1-NH2 3.25Å; D58-R174 PolarHBondContact OD1-NH2 3.47Å; D58-R174 IonicContact OD2-NE 3.85Å; D58-R174 PolarHBondContact OD2-NE 3.46Å; D58-R174 VanDerWaalsContact OD2-NE 3.08Å; D58-R177 IonicContact OD2-CZ 3.84Å; D58-R177 IonicContact OD2-NH1 3.39Å; D58-R177 IonicContact OD2-NH2 2.88Å; D58-R177 PolarHBondContact OD2-NH2 3.25Å |
| 59 | G | 94.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 74% | 0.742 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -4.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L57 | L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.31Å |
| 60 | E | 95.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 46.8 Ų | 46.8 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.1 | 177.3 | -171 | 179.3 | 177.1 | 0 | 0 | 111.1 | V56 L57 V62 | V56-E60 CarbonylContact C-O 3.55Å; V56-E60 WeakPolarHBondContact CA-O 3.49Å; L57-E60 PolarHBondContact N-O 3.43Å; L57-E60 PolarHBondContact O-N 2.93Å; L57-E60 VanDerWaalsContact O-N 3.16Å; E60-V62 HydrophobicContact CG-CG1 4.18Å; E60-V62 PolarHBondContact O-N 3.27Å |
| 61 | E | 97.3 | Very high | 93.5 | Very high | 97 Ų | 97 | 44.6 Ų | 44.6 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.7 | 172.1 | -169.2 | -176.6 | -157.9 | 0 | 0 | 109.5 | L12 K54 | L12-E61 HydrophobicContact CD1-CG 4.18Å; L12-E61 HydrophobicContact CD2-CB 4.08Å; L12-E61 HydrophobicContact CD2-CG 3.99Å; L12-E61 WeakPolarHBondContact CD2-O 3.46Å; K54-E61 WeakPolarHBondContact CD-OE1 3.38Å; K54-E61 IonicContact NZ-OE1 2.68Å |
| 62 | V | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 168.7 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | A13 K54 V55 L57 E60 M173 | A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.11Å; K54-V62 WeakPolarHBondContact CA-O 3.46Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 3.02Å; V55-V62 PolarHBondContact O-N 2.98Å; V55-V62 VanDerWaalsContact O-O 3.11Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-V62 HydrophobicContact CD2-CG2 4.3Å; E60-V62 HydrophobicContact CG-CG1 4.18Å; E60-V62 PolarHBondContact O-N 3.27Å; V62-M173 HydrophobicContact CG2-SD 4.4Å |
| 63 | Q | 97.8 | Very high | 90.5 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.6 | 175 | -167.6 | 163.9 | 41.4 | 0 | 0 | 109.5 | A13 L14 H15 R52 K53 | A13-Q63 PolarHBondContact O-N 3.48Å; L14-Q63 CarbonylContact C-O 3.54Å; L14-Q63 VanDerWaalsContact CA-O 3.31Å; L14-Q63 WeakPolarHBondContact CA-O 3.44Å; L14-Q63 HydrophobicContact CD1-CB 3.9Å; L14-Q63 HydrophobicContact CD1-CG 3.79Å; H15-Q63 PolarHBondContact N-O 3.5Å; R52-Q63 HydrophobicContact CG-CG 3.55Å; R52-Q63 VanDerWaalsContact CG-NE2 3.33Å; K53-Q63 WeakPolarHBondContact O-CA 3.34Å |
| 64 | I | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.1 | 171.2 | -172 | 177.1 | 0 | 0 | 0 | 109.1 | H15 V17 F34 R52 K53 V55 I66 F169 M173 | H15-I64 WeakPolarHBondContact O-CA 3.48Å; V17-I64 HydrophobicContact CB-CD1 4.48Å; V17-I64 HydrophobicContact CG2-CD1 3.97Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; F34-I64 HydrophobicContact CE1-CD1 4.12Å; F34-I64 HydrophobicContact CE1-CG2 3.93Å; F34-I64 HydrophobicContact CZ-CD1 4.48Å; F34-I64 HydrophobicContact CZ-CG2 4.44Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.12Å; R52-I64 WeakPolarHBondContact CG-O 3.34Å; K53-I64 HydrophobicContact CB-CG2 4.12Å; K53-I64 PolarHBondContact N-O 2.67Å; K53-I64 VanDerWaalsContact N-O 3.07Å; K53-I64 PolarHBondContact O-N 3.34Å; V55-I64 HydrophobicContact CG1-CG2 4.39Å; V55-I64 HydrophobicContact CG2-CG2 4.46Å; I64-I66 HydrophobicContact CD1-CD1 4.01Å; I64-I66 HydrophobicContact CD1-CG1 3.76Å; I64-I66 HydrophobicContact CG1-CD1 4.48Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I64-F169 HydrophobicContact CD1-CB 4.39Å; I64-F169 HydrophobicContact CD1-CD1 4.02Å; I64-M173 HydrophobicContact CB-SD 3.77Å; I64-M173 HydrophobicContact CD1-CE 4.26Å; I64-M173 HydrophobicContact CD1-CG 4.06Å; I64-M173 HydrophobicContact CD1-SD 3.81Å; I64-M173 HydrophobicContact CG1-CG 4.43Å; I64-M173 HydrophobicContact CG1-SD 4.02Å |
| 65 | D | 97.9 | Very high | 87.6 | Confident | 18 Ų | 18 | 52 Ų | 52 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 109.4 | 173.6 | -169.9 | -20.6 | 0 | 0 | 0 | 107.6 | L14 H15 K16 V17 S50 Y51 R52 | L14-D65 HydrophobicContact CD1-CB 3.93Å; H15-D65 PolarHBondContact O-N 2.99Å; K16-D65 CarbonylContact C-O 3.5Å; K16-D65 WeakPolarHBondContact CA-O 3.36Å; K16-D65 HydrophobicContact CG-CB 4.37Å; V17-D65 PolarHBondContact N-O 3.16Å; S50-D65 PolarHBondContact OG-OD1 3.32Å; Y51-D65 CarbonylContact O-C 3.49Å; Y51-D65 WeakPolarHBondContact O-CA 3.49Å; R52-D65 IonicContact CZ-OD2 3.88Å; R52-D65 IonicContact NE-OD2 3.49Å; R52-D65 PolarHBondContact NE-OD2 3.13Å; R52-D65 IonicContact NH2-OD2 3.37Å; R52-D65 PolarHBondContact NH2-OD2 3.43Å |
| 66 | I | 97.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.5 | -176.1 | -53.9 | 169 | 0 | 0 | 0 | 107.9 | V17 M19 T31 F34 M35 S50 Y51 I64 F169 | V17-I66 CarbonylContact O-C 3.4Å; V17-I66 WeakPolarHBondContact O-CA 3.38Å; M19-I66 HydrophobicContact CG-CG2 3.73Å; M19-I66 HydrophobicContact SD-CG2 4.09Å; T31-I66 HydrophobicContact CG2-CB 4.28Å; T31-I66 HydrophobicContact CG2-CD1 4.34Å; T31-I66 HydrophobicContact CG2-CG2 3.82Å; F34-I66 HydrophobicContact CD1-CD1 3.58Å; F34-I66 HydrophobicContact CE1-CD1 3.91Å; M35-I66 HydrophobicContact SD-CD1 4.2Å; S50-I66 CarbonylContact C-O 3.5Å; S50-I66 WeakPolarHBondContact CA-O 3.39Å; Y51-I66 PolarHBondContact N-O 2.74Å; Y51-I66 PolarHBondContact O-N 3.08Å; I64-I66 HydrophobicContact CD1-CD1 4.01Å; I64-I66 HydrophobicContact CD1-CG1 3.76Å; I64-I66 HydrophobicContact CG1-CD1 4.48Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I66-F169 HydrophobicContact CD1-CD1 3.92Å; I66-F169 HydrophobicContact CD1-CE1 3.59Å; I66-F169 HydrophobicContact CD1-CZ 4.19Å; I66-F169 HydrophobicContact CG1-CD1 4.42Å; I66-F169 HydrophobicContact CG1-CE1 4.13Å; I66-F169 HydrophobicContact CG2-CE1 4.18Å |
| 67 | L | 95.6 | Very high | 85.6 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.9 | 167.9 | -173.7 | 70.5 | 0 | 0 | 0 | 109.5 | V17 I18 M19 T69 Y82 | V17-L67 PolarHBondContact O-N 2.87Å; I18-L67 HydrophobicContact CD1-CB 3.67Å; I18-L67 HydrophobicContact CD1-CD2 3.87Å; I18-L67 HydrophobicContact CD1-CG 4.43Å; I18-L67 HydrophobicContact CG2-CD2 4.42Å; M19-L67 PolarHBondContact N-O 2.87Å; L67-T69 HydrophobicContact CD2-CG2 4.36Å; L67-T69 HydrophobicContact CG-CG2 4.35Å; L67-Y82 HydrophobicContact CD2-CD1 3.45Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.45Å; L67-Y82 HydrophobicContact CD2-CD2 3.98Å; L67-Y82 HydrophobicContact CD2-CE1 4.05Å; L67-Y82 HydrophobicContact CD2-CE2 4.5Å; L67-Y82 HydrophobicContact CD2-CG 3.43Å; L67-Y82 VanDerWaalsContact CD2-CG 3.43Å |
| 68 | D | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.7 | 169.1 | -176.5 | 41.7 | 0 | 0 | 0 | 109.7 | K27 S28 T46 A48 D49 Y51 | K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.32Å; S28-D68 WeakPolarHBondContact CA-OD2 3.38Å; S28-D68 WeakPolarHBondContact CB-OD2 3.32Å; S28-D68 PolarHBondContact N-OD1 3.3Å; S28-D68 PolarHBondContact OG-OD1 2.92Å; S28-D68 PolarHBondContact OG-OD2 2.79Å; T46-D68 PolarHBondContact OG1-OD2 3.43Å; A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.24Å; A48-D68 WeakPolarHBondContact CA-O 3.5Å; D49-D68 PolarHBondContact N-O 3.49Å; D49-D68 PolarHBondContact O-N 3.29Å; Y51-D68 HydrophobicContact CD2-CB 4.47Å; Y51-D68 HydrophobicContact CE2-CB 4.1Å |
| 69 | T | 86 | Confident | 84.2 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 154.6 | -177.9 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | I18 M19 K27 L67 G71 E73 | I18-T69 HydrophobicContact CG2-CG2 4.25Å; M19-T69 WeakPolarHBondContact O-CG2 3.26Å; M19-T69 PolarHBondContact O-OG1 3.07Å; K27-T69 WeakPolarHBondContact CE-O 3.31Å; L67-T69 HydrophobicContact CD2-CG2 4.36Å; L67-T69 HydrophobicContact CG-CG2 4.35Å; T69-G71 PolarHBondContact O-N 3.31Å; T69-E73 VanDerWaalsContact CB-OE1 3.31Å; T69-E73 WeakPolarHBondContact CB-OE1 3.08Å; T69-E73 VanDerWaalsContact CG2-OE1 3.32Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.35Å |
| 70 | A | 76 | Confident | 83.9 | Confident | 27 Ų | 27 | 52 Ų | 52 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | trans | -58.2 | -34.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | K27 T46 | K27-A70 PolarHBondContact NZ-O 3.05Å; T46-A70 VanDerWaalsContact O-CA 3.28Å; T46-A70 WeakPolarHBondContact O-CA 3.35Å; T46-A70 WeakPolarHBondContact O-CB 3.47Å | ||
| 71 | G | 66.1 | Low | 83.6 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 77.3 | 7.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G21 T69 | G21-G71 WeakPolarHBondContact O-CA 3.24Å; T69-G71 PolarHBondContact O-N 3.31Å |
| 72 | Q | 64.6 | Low | 83.2 | Confident | 142 Ų | 142 | 50.3 Ų | 50.3 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | trans | -134.3 | 41.1 | 177.4 | -67 | -175.6 | -14.9 | 0 | 0 | 110.6 | D74 | Q72-D74 PolarHBondContact O-N 3.42Š| ||
| 73 | E | 64.1 | Low | 83 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | trans | -71.4 | 97.4 | -176.7 | -63.9 | -174 | -167.1 | 0 | 0 | 110.7 | T69 Y75 R79 Y82 | T69-E73 VanDerWaalsContact CB-OE1 3.31Å; T69-E73 WeakPolarHBondContact CB-OE1 3.08Å; T69-E73 VanDerWaalsContact CG2-OE1 3.32Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.35Å; E73-Y75 PolarHBondContact O-N 3.14Å; E73-Y75 VanDerWaalsContact O-N 3.14Å; E73-R79 HydrophobicContact CB-CB 4.32Å; E73-R79 PolarHBondContact O-NH1 3.49Å; E73-R79 WeakPolarHBondContact OE2-CA 3.35Å; E73-R79 WeakPolarHBondContact OE2-CB 3.4Å; E73-R79 PolarHBondContact OE2-N 3.42Å; E73-Y82 VanDerWaalsContact CD-CE2 3.45Å; E73-Y82 VanDerWaalsContact OE1-CD2 3.26Å; E73-Y82 WeakPolarHBondContact OE1-CD2 3.49Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.33Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.21Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 74 | D | 59.6 | Low | 82.8 | Confident | 150 Ų | 150 | 54.7 Ų | 54.7 | 80% | 0.802 | 28% | 0.281 | S | S | * | . | trans | -59.9 | -21.6 | -177.1 | -67.1 | -39.3 | 0 | 0 | 0 | 113.4 | Q72 | Q72-D74 PolarHBondContact O-N 3.42Š| ||
| 75 | Y | 71.2 | Confident | 82.6 | Confident | 171 Ų | 171 | 57.4 Ų | 57.4 | 67% | 0.671 | 30% | 0.3 | S | S | * | . | trans | -106.2 | 103.9 | -179.9 | -65.6 | -79.6 | 0 | 0 | 0 | 111.8 | E73 A77 I78 R79 | E73-Y75 PolarHBondContact O-N 3.14Å; E73-Y75 VanDerWaalsContact O-N 3.14Å; Y75-A77 PolarHBondContact O-N 3.38Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; Y75-I78 HydrophobicContact CD2-CD1 4.37Å; Y75-I78 HydrophobicContact CG-CD1 4.41Å; Y75-I78 PolarHBondContact O-N 2.96Å; Y75-R79 PolarHBondContact O-N 3.17Å | ||
| 76 | A | 75.6 | Confident | 82.5 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -52.3 | -34.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I78 R79 D80 | A76-I78 PolarHBondContact O-N 3.5Å; A76-R79 PolarHBondContact O-N 3.03Å; A76-D80 WeakPolarHBondContact O-CB 3.26Å; A76-D80 PolarHBondContact O-N 3.36Å |
| 77 | A | 78.4 | Confident | 82.5 | Confident | 69 Ų | 69 | 59 Ų | 59 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.2 | -34.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y75 N81 | Y75-A77 PolarHBondContact O-N 3.38Å; Y75-A77 VanDerWaalsContact O-N 3.1Å; A77-N81 VanDerWaalsContact O-CG 3.24Å; A77-N81 PolarHBondContact O-N 3.32Å; A77-N81 PolarHBondContact O-ND2 3.14Å |
| 78 | I | 79.3 | Confident | 82.6 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.9 | -47.3 | 177.5 | -64.9 | -179.6 | 0 | 0 | 0 | 109.1 | Y75 A76 D80 N81 Y82 | Y75-I78 HydrophobicContact CD2-CD1 4.37Å; Y75-I78 HydrophobicContact CG-CD1 4.41Å; Y75-I78 PolarHBondContact O-N 2.96Å; A76-I78 PolarHBondContact O-N 3.5Å; I78-D80 PolarHBondContact O-N 2.81Å; I78-N81 WeakPolarHBondContact O-CB 3.41Å; I78-N81 PolarHBondContact O-N 3.21Å; I78-Y82 HydrophobicContact CG2-CD2 4.13Å; I78-Y82 HydrophobicContact CG2-CE1 4.22Å; I78-Y82 HydrophobicContact CG2-CE2 3.34Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.4Å; I78-Y82 PolarHBondContact O-N 3.06Å; I78-Y82 VanDerWaalsContact O-N 3.09Å |
| 79 | R | 84.1 | Confident | 82.9 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 177.1 | -171.1 | 170.6 | 67.8 | -119 | 8.7 | 112.8 | E73 Y75 A76 N81 Y82 F83 Q110 | E73-R79 HydrophobicContact CB-CB 4.32Å; E73-R79 PolarHBondContact O-NH1 3.49Å; E73-R79 WeakPolarHBondContact OE2-CA 3.35Å; E73-R79 WeakPolarHBondContact OE2-CB 3.4Å; E73-R79 PolarHBondContact OE2-N 3.42Å; Y75-R79 PolarHBondContact O-N 3.17Å; A76-R79 PolarHBondContact O-N 3.03Å; R79-N81 PolarHBondContact O-N 3.25Å; R79-Y82 WeakPolarHBondContact O-CB 3.25Å; R79-Y82 PolarHBondContact O-N 3.28Å; R79-Y82 VanDerWaalsContact O-N 3.15Å; R79-F83 HydrophobicContact CG-CD2 4.21Å; R79-F83 HydrophobicContact CG-CE1 4.03Å; R79-F83 HydrophobicContact CG-CE2 3.61Å; R79-F83 HydrophobicContact CG-CZ 3.52Å; R79-F83 WeakPolarHBondContact O-CG 3.39Å; R79-F83 PolarHBondContact O-N 3.49Å; R79-Q110 VanDerWaalsContact CZ-OE1 3.31Å |
| 80 | D | 89.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 177 | -78 | 4.1 | 0 | 0 | 0 | 111.7 | A76 I78 R84 R113 V114 | A76-D80 WeakPolarHBondContact O-CB 3.26Å; A76-D80 PolarHBondContact O-N 3.36Å; I78-D80 PolarHBondContact O-N 2.81Å; D80-R84 VanDerWaalsContact O-CB 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.41Å; D80-R84 PolarHBondContact O-N 3.28Å; D80-R84 PolarHBondContact O-NH1 3.08Å; D80-R113 IonicContact OD1-NH2 3.37Å; D80-R113 PolarHBondContact OD1-NH2 3.08Å; D80-R113 IonicContact OD2-NH2 2.74Å; D80-V114 HydrophobicContact CB-CG2 4.01Å; D80-V114 WeakPolarHBondContact O-CG1 3.27Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.27Å |
| 81 | N | 88.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 174.7 | -72.3 | -22.8 | 0 | 0 | 0 | 112 | A77 I78 R79 R84 S85 | A77-N81 VanDerWaalsContact O-CG 3.24Å; A77-N81 PolarHBondContact O-N 3.32Å; A77-N81 PolarHBondContact O-ND2 3.14Å; I78-N81 WeakPolarHBondContact O-CB 3.41Å; I78-N81 PolarHBondContact O-N 3.21Å; R79-N81 PolarHBondContact O-N 3.25Å; N81-R84 PolarHBondContact O-N 2.8Å; N81-R84 PolarHBondContact OD1-NH1 3.49Å; N81-S85 WeakPolarHBondContact O-CB 3.19Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 2.86Å |
| 82 | Y | 89.6 | Confident | 86.1 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 174.6 | -60.9 | -32 | 0 | 0 | 0 | 111.1 | A48 L67 E73 I78 R79 R84 S85 G86 | A48-Y82 HydrophobicContact CB-CE2 4.42Å; L67-Y82 HydrophobicContact CD2-CD1 3.45Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.45Å; L67-Y82 HydrophobicContact CD2-CD2 3.98Å; L67-Y82 HydrophobicContact CD2-CE1 4.05Å; L67-Y82 HydrophobicContact CD2-CE2 4.5Å; L67-Y82 HydrophobicContact CD2-CG 3.43Å; L67-Y82 VanDerWaalsContact CD2-CG 3.43Å; E73-Y82 VanDerWaalsContact CD-CE2 3.45Å; E73-Y82 VanDerWaalsContact OE1-CD2 3.26Å; E73-Y82 WeakPolarHBondContact OE1-CD2 3.49Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.33Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.21Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.49Å; I78-Y82 HydrophobicContact CG2-CD2 4.13Å; I78-Y82 HydrophobicContact CG2-CE1 4.22Å; I78-Y82 HydrophobicContact CG2-CE2 3.34Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.4Å; I78-Y82 PolarHBondContact O-N 3.06Å; I78-Y82 VanDerWaalsContact O-N 3.09Å; R79-Y82 WeakPolarHBondContact O-CB 3.25Å; R79-Y82 PolarHBondContact O-N 3.28Å; R79-Y82 VanDerWaalsContact O-N 3.15Å; Y82-R84 PolarHBondContact O-N 2.88Å; Y82-S85 PolarHBondContact O-N 3.25Å; Y82-S85 PolarHBondContact O-OG 2.79Å; Y82-G86 PolarHBondContact O-N 3.09Å |
| 83 | F | 92.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.9 | -65.5 | -10.7 | 0 | 0 | 0 | 111.4 | I18 V20 R79 S85 G86 F89 Q110 I111 V114 K115 | I18-F83 HydrophobicContact CG2-CD1 4.49Å; V20-F83 HydrophobicContact CG1-CE1 4.24Å; V20-F83 HydrophobicContact CG1-CZ 4.12Å; V20-F83 HydrophobicContact CG2-CE1 3.74Å; V20-F83 HydrophobicContact CG2-CZ 4.42Å; R79-F83 HydrophobicContact CG-CD2 4.21Å; R79-F83 HydrophobicContact CG-CE1 4.03Å; R79-F83 HydrophobicContact CG-CE2 3.61Å; R79-F83 HydrophobicContact CG-CZ 3.52Å; R79-F83 WeakPolarHBondContact O-CG 3.39Å; R79-F83 PolarHBondContact O-N 3.49Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 2.84Å; F83-G86 PolarHBondContact O-N 2.85Å; F83-F89 HydrophobicContact CB-CE1 4.24Å; F83-F89 HydrophobicContact CB-CZ 4.46Å; F83-F89 AromaticContact CD1-CE1 3.85Å; F83-F89 HydrophobicContact CD1-CE1 3.85Å; F83-F89 HydrophobicContact CG-CE1 4.27Å; F83-F89 WeakPolarHBondContact O-CZ 3.18Å; F83-Q110 HydrophobicContact CD2-CB 4.46Å; F83-Q110 HydrophobicContact CE2-CB 3.85Å; F83-I111 HydrophobicContact CD1-CG1 4.35Å; F83-I111 HydrophobicContact CD2-CG1 4.12Å; F83-I111 HydrophobicContact CE1-CG1 4.31Å; F83-I111 HydrophobicContact CE2-CG1 4.07Å; F83-I111 HydrophobicContact CG-CG1 4.26Å; F83-I111 HydrophobicContact CZ-CG1 4.16Å; F83-V114 HydrophobicContact CB-CB 4.08Å; F83-V114 HydrophobicContact CB-CG1 3.85Å; F83-V114 HydrophobicContact CB-CG2 4.34Å; F83-V114 HydrophobicContact CD2-CG2 4.28Å; F83-K115 WeakPolarHBondContact O-CE 3.49Å; F83-K115 PolarHBondContact O-NZ 2.91Å |
| 84 | R | 94.1 | Very high | 89.4 | Confident | 133 Ų | 133 | 47.3 Ų | 47.3 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -39.7 | 178.3 | -167 | 176.3 | -62.4 | 98.7 | 4.7 | 112.4 | D80 N81 Y82 V114 K115 | D80-R84 VanDerWaalsContact O-CB 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.41Å; D80-R84 PolarHBondContact O-N 3.28Å; D80-R84 PolarHBondContact O-NH1 3.08Å; N81-R84 PolarHBondContact O-N 2.8Å; N81-R84 PolarHBondContact OD1-NH1 3.49Å; Y82-R84 PolarHBondContact O-N 2.88Å; R84-V114 HydrophobicContact CB-CG1 3.85Å; R84-K115 PolarHBondContact O-NZ 3.44Å |
| 85 | S | 92.6 | Very high | 91.2 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -77.7 | -22.2 | -179.2 | 77.5 | 0 | 0 | 0 | 0 | 114.7 | K16 N81 Y82 F83 | K16-S85 VanDerWaalsContact CD-O 3.3Å; K16-S85 WeakPolarHBondContact CD-O 3.46Å; N81-S85 WeakPolarHBondContact O-CB 3.19Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 2.86Å; Y82-S85 PolarHBondContact O-N 3.25Å; Y82-S85 PolarHBondContact O-OG 2.79Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 2.84Å |
| 86 | G | 95.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -71.2 | 142.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y82 F83 K115 | Y82-G86 PolarHBondContact O-N 3.09Å; F83-G86 PolarHBondContact O-N 2.85Å; G86-K115 WeakPolarHBondContact O-CE 3.49Å; G86-K115 PolarHBondContact O-NZ 2.79Å | ||
| 87 | E | 97.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -103.3 | -25.5 | 177.1 | -63.1 | 176 | 148.7 | 0 | 0 | 112.1 | H15 K16 P122 V176 K180 | H15-E87 WeakPolarHBondContact CA-OE2 3.47Å; K16-E87 HydrophobicContact CB-CB 4.38Å; K16-E87 HydrophobicContact CB-CG 4.07Å; K16-E87 PolarHBondContact N-OE2 2.88Å; K16-E87 WeakPolarHBondContact O-CA 3.43Å; K16-E87 PolarHBondContact O-N 3.35Å; E87-P122 WeakPolarHBondContact O-CD 3.34Å; E87-P122 WeakPolarHBondContact O-CG 3.32Å; E87-V176 HydrophobicContact CB-CG1 3.77Å; E87-V176 HydrophobicContact CB-CG2 4.36Å; E87-K180 WeakPolarHBondContact OE1-CE 3.44Å; E87-K180 IonicContact OE1-NZ 2.75Å; E87-K180 PolarHBondContact OE1-NZ 3.3Å; E87-K180 VanDerWaalsContact OE2-CE 3.32Å; E87-K180 WeakPolarHBondContact OE2-CE 3.31Å; E87-K180 IonicContact OE2-NZ 3.67Å; E87-K180 PolarHBondContact OE2-NZ 3.22Å |
| 88 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K16 V17 I18 P122 | K16-G88 PolarHBondContact O-N 2.94Å; K16-G88 VanDerWaalsContact O-N 3.09Å; V17-G88 WeakPolarHBondContact CA-O 3.47Å; I18-G88 PolarHBondContact N-O 2.97Å; G88-P122 WeakPolarHBondContact CA-O 3.27Å |
| 89 | F | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.7 | -172.3 | -58.9 | -90.9 | 0 | 0 | 0 | 111.3 | I18 V20 F83 I111 K115 I121 P122 L123 L124 | I18-F89 HydrophobicContact CB-CD1 3.88Å; I18-F89 HydrophobicContact CB-CE1 4.06Å; I18-F89 HydrophobicContact CG1-CD1 4.26Å; I18-F89 HydrophobicContact CG1-CE1 3.99Å; V20-F89 HydrophobicContact CG2-CD1 4.06Å; F83-F89 HydrophobicContact CB-CE1 4.24Å; F83-F89 HydrophobicContact CB-CZ 4.46Å; F83-F89 AromaticContact CD1-CE1 3.85Å; F83-F89 HydrophobicContact CD1-CE1 3.85Å; F83-F89 HydrophobicContact CG-CE1 4.27Å; F83-F89 WeakPolarHBondContact O-CZ 3.18Å; F89-I111 HydrophobicContact CB-CD1 4.1Å; F89-I111 HydrophobicContact CD1-CD1 3.73Å; F89-I111 HydrophobicContact CD1-CG1 3.95Å; F89-I111 HydrophobicContact CD1-CG2 4.24Å; F89-I111 HydrophobicContact CD2-CG2 3.85Å; F89-I111 HydrophobicContact CE1-CD1 4.36Å; F89-I111 HydrophobicContact CE1-CG1 4.06Å; F89-I111 HydrophobicContact CE1-CG2 4.11Å; F89-I111 HydrophobicContact CE2-CG2 3.72Å; F89-I111 HydrophobicContact CG-CD1 3.93Å; F89-I111 HydrophobicContact CG-CG1 4.41Å; F89-I111 HydrophobicContact CG-CG2 4.11Å; F89-I111 HydrophobicContact CZ-CG2 3.85Å; F89-K115 HydrophobicContact CE2-CG 4.39Å; F89-K115 HydrophobicContact CZ-CG 4.36Å; F89-I121 HydrophobicContact CD2-CG2 3.73Å; F89-I121 HydrophobicContact CE2-CG2 3.78Å; F89-P122 PolarHBondContact N-O 3.15Å; F89-L123 HydrophobicContact CB-CD1 4.21Å; F89-L123 HydrophobicContact CB-CG 4.31Å; F89-L123 WeakPolarHBondContact O-CA 3.41Å; F89-L124 PolarHBondContact O-N 3.42Å |
| 90 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.4 | 163.7 | -68.3 | -177.4 | 0 | 0 | 0 | 108.1 | V17 I18 M19 V20 V92 L124 V126 V168 F169 L172 | V17-L90 HydrophobicContact CG1-CD1 4.37Å; V17-L90 HydrophobicContact CG1-CG 4.21Å; I18-L90 PolarHBondContact O-N 3.21Å; M19-L90 HydrophobicContact CE-CB 4.45Å; M19-L90 HydrophobicContact CE-CD1 4.2Å; M19-L90 HydrophobicContact SD-CB 3.97Å; M19-L90 HydrophobicContact SD-CD1 3.76Å; M19-L90 HydrophobicContact SD-CG 4.32Å; V20-L90 PolarHBondContact N-O 3.31Å; L90-V92 HydrophobicContact CB-CG2 4.19Å; L90-V92 PolarHBondContact O-N 3.33Å; L90-L124 HydrophobicContact CD2-CB 3.71Å; L90-L124 HydrophobicContact CD2-CD2 4.45Å; L90-V126 HydrophobicContact CB-CG2 4.49Å; L90-V126 HydrophobicContact CD2-CG2 3.99Å; L90-V168 HydrophobicContact CD1-CB 4.45Å; L90-V168 HydrophobicContact CD1-CG2 4.12Å; L90-V168 HydrophobicContact CD2-CB 4.17Å; L90-F169 HydrophobicContact CD1-CD1 3.75Å; L90-F169 HydrophobicContact CD1-CE1 3.59Å; L90-F169 HydrophobicContact CD1-CE2 4.49Å; L90-F169 HydrophobicContact CD1-CG 4.29Å; L90-F169 HydrophobicContact CD1-CZ 3.98Å; L90-L172 HydrophobicContact CD2-CB 4.1Å; L90-L172 HydrophobicContact CD2-CD2 3.68Å; L90-L172 HydrophobicContact CD2-CG 4.43Å; L90-L172 HydrophobicContact CG-CD2 3.65Å |
| 91 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 92.7 | 179.2 | -174.4 | 58.6 | 0 | 0 | 0 | 108.9 | V20 T104 F107 R108 L123 L124 V125 V126 W150 | V20-L91 HydrophobicContact CB-CD1 4.34Å; V20-L91 HydrophobicContact CG1-CD1 4.22Å; V20-L91 CarbonylContact O-C 3.45Å; V20-L91 WeakPolarHBondContact O-CA 2.95Å; L91-T104 HydrophobicContact CD1-CG2 4.34Å; L91-T104 HydrophobicContact CG-CG2 4.07Å; L91-F107 HydrophobicContact CD1-CB 3.61Å; L91-F107 HydrophobicContact CD1-CD2 4.42Å; L91-F107 HydrophobicContact CD1-CG 4.35Å; L91-R108 HydrophobicContact CD2-CB 4.15Å; L91-L123 HydrophobicContact CB-CD2 4.42Å; L91-L123 HydrophobicContact CD2-CD2 4.31Å; L91-L124 PolarHBondContact N-O 2.95Å; L91-V125 HydrophobicContact CD2-CG2 4.44Å; L91-V126 PolarHBondContact O-N 3.3Å; L91-W150 HydrophobicContact CD2-CZ3 3.97Å |
| 92 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.7 | -169.5 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | M19 V20 G21 V25 K27 L30 L90 V126 N128 | M19-V92 HydrophobicContact CE-CG2 3.98Å; V20-V92 PolarHBondContact O-N 2.88Å; G21-V92 WeakPolarHBondContact CA-O 3.15Å; V25-V92 HydrophobicContact CB-CG1 4.44Å; V25-V92 HydrophobicContact CG2-CB 4.11Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.45Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.21Å; L90-V92 HydrophobicContact CB-CG2 4.19Å; L90-V92 PolarHBondContact O-N 3.33Å; V92-V126 WeakPolarHBondContact CA-O 3.27Å; V92-V126 HydrophobicContact CG2-CB 4.26Å; V92-N128 HydrophobicContact CG1-CB 3.98Å |
| 93 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 170.1 | 166.8 | 72 | -85.9 | 0 | 0 | 0 | 110.2 | I95 F101 T104 V125 V126 N128 V138 A143 Y154 | F93-I95 HydrophobicContact CE2-CG2 4.15Å; F93-F101 HydrophobicContact CB-CB 4.44Å; F93-F101 AromaticContact CD1-CD2 3.94Å; F93-F101 HydrophobicContact CD1-CD2 3.94Å; F93-F101 HydrophobicContact CD2-CB 3.68Å; F93-F101 AromaticContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CG 4.27Å; F93-F101 AromaticContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CE2 4.23Å; F93-F101 HydrophobicContact CE2-CB 4.08Å; F93-F101 AromaticContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CG 4.26Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 HydrophobicContact CG-CD2 4.05Å; F93-F101 AromaticContact CZ-CD2 3.72Å; F93-F101 HydrophobicContact CZ-CD2 3.72Å; F93-F101 HydrophobicContact CZ-CE2 4.24Å; F93-T104 HydrophobicContact CB-CG2 3.81Å; F93-T104 HydrophobicContact CD1-CG2 4.15Å; F93-T104 HydrophobicContact CG-CG2 4.32Å; F93-V125 HydrophobicContact CD1-CG1 4.2Å; F93-V125 HydrophobicContact CE1-CG1 3.8Å; F93-V126 VanDerWaalsContact CD1-O 3.31Å; F93-V126 WeakPolarHBondContact CD1-O 3.33Å; F93-V126 PolarHBondContact N-O 3.18Å; F93-N128 PolarHBondContact O-N 3.06Å; F93-V138 HydrophobicContact CE2-CB 4.06Å; F93-V138 HydrophobicContact CE2-CG1 3.89Å; F93-V138 HydrophobicContact CE2-CG2 4.22Å; F93-V138 HydrophobicContact CZ-CG1 4.31Å; F93-A143 HydrophobicContact CZ-CB 3.91Å; F93-Y154 HydrophobicContact CE1-CD2 4.43Å; F93-Y154 AromaticContact CE1-CE2 3.7Å; F93-Y154 HydrophobicContact CE1-CE2 3.7Å; F93-Y154 AromaticContact CZ-CE2 3.68Å; F93-Y154 HydrophobicContact CZ-CE2 3.68Å |
| 94 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.5 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | T96 E97 S100 K129 | S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 VanDerWaalsContact O-N 3.08Å; S94-T96 PolarHBondContact OG-N 3.18Å; S94-T96 PolarHBondContact OG-OG1 3.01Å; S94-E97 PolarHBondContact O-N 3.42Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-S100 PolarHBondContact N-OG 2.94Å; S94-S100 PolarHBondContact O-OG 3.27Å; S94-K129 WeakPolarHBondContact OG-CD 3.49Å; S94-K129 VanDerWaalsContact OG-CE 3.29Å; S94-K129 WeakPolarHBondContact OG-CE 3.49Å |
| 95 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.3 | 176.5 | 67 | 158.5 | 0 | 0 | 0 | 112.6 | F93 N128 K129 R136 Q137 V138 | F93-I95 HydrophobicContact CE2-CG2 4.15Å; I95-N128 PolarHBondContact N-O 3.23Å; I95-K129 WeakPolarHBondContact CD1-O 3.25Å; I95-K129 WeakPolarHBondContact CG1-O 2.83Å; I95-R136 HydrophobicContact CD1-CB 4.39Å; I95-R136 HydrophobicContact CD1-CG 4.46Å; I95-Q137 PolarHBondContact O-N 3.23Å; I95-V138 PolarHBondContact O-N 3.4Å; I95-V138 VanDerWaalsContact O-N 3.12Å |
| 96 | T | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1 | -179.7 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | S94 K129 L132 R135 Q137 | S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 VanDerWaalsContact O-N 3.08Å; S94-T96 PolarHBondContact OG-N 3.18Å; S94-T96 PolarHBondContact OG-OG1 3.01Å; T96-K129 HydrophobicContact CG2-CB 4.44Å; T96-L132 HydrophobicContact CG2-CB 3.62Å; T96-L132 HydrophobicContact CG2-CD1 4.02Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; T96-R135 WeakPolarHBondContact CA-O 3.23Å; T96-R135 HydrophobicContact CG2-CB 3.87Å; T96-Q137 PolarHBondContact O-NE2 2.89Å; T96-Q137 PolarHBondContact O-OE1 3.03Å |
| 97 | E | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 33% | 0.327 | 17% | 0.169 | S | C | . | . | trans | -138.5 | 97 | -176.1 | -67.7 | 163.2 | -132.7 | 0 | 0 | 109.6 | S94 E99 S100 K129 | S94-E97 PolarHBondContact O-N 3.42Å; S94-E97 VanDerWaalsContact O-N 3.09Å; E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 3.02Å; E97-S100 WeakPolarHBondContact O-CB 3.36Å; E97-S100 PolarHBondContact O-N 3.21Å; E97-S100 PolarHBondContact O-OG 3.12Å; E97-K129 IonicContact OE1-NZ 2.81Å; E97-K129 PolarHBondContact OE1-NZ 3Å | ||
| 98 | H | 98.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 34% | 0.343 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.3 | -37.3 | -176.3 | -174.1 | -73.8 | 0 | 0 | 0 | 113.2 | S100 F101 T102 Q137 V138 E142 | H98-S100 PolarHBondContact O-N 3.18Å; H98-F101 WeakPolarHBondContact O-CB 3.28Å; H98-F101 PolarHBondContact O-N 2.68Å; H98-T102 PolarHBondContact CE1-OG1 3.03Å; H98-T102 PolarHBondContact ND1-OG1 3.37Å; H98-T102 PolarHBondContact O-N 3.42Å; H98-T102 PolarHBondContact O-OG1 3.47Å; H98-Q137 HydrophobicContact CB-CB 4.2Å; H98-V138 HydrophobicContact CB-CG2 4.37Å; H98-E142 IonicContact NE2-OE1 3.13Å |
| 99 | E | 97.8 | Very high | 97.4 | Very high | 171 Ų | 171 | 39.4 Ų | 39.4 | 80% | 0.799 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -57.8 | -36.8 | 176.5 | -66.1 | 179.7 | -179.5 | 0 | 0 | 112.1 | E97 F101 T102 A103 | E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 3.02Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 2.85Å; E99-T102 PolarHBondContact O-N 3.28Å; E99-A103 WeakPolarHBondContact O-CB 2.96Å; E99-A103 PolarHBondContact O-N 3.32Å |
| 100 | S | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 177.6 | 78.7 | 0 | 0 | 0 | 0 | 112.4 | S94 E97 H98 T104 | S94-S100 PolarHBondContact N-OG 2.94Å; S94-S100 PolarHBondContact O-OG 3.27Å; E97-S100 WeakPolarHBondContact O-CB 3.36Å; E97-S100 PolarHBondContact O-N 3.21Å; E97-S100 PolarHBondContact O-OG 3.12Å; H98-S100 PolarHBondContact O-N 3.18Å; S100-T104 WeakPolarHBondContact O-CG2 3.32Å |
| 101 | F | 98.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.2 | -44.6 | 173.9 | 175 | -113.2 | 0 | 0 | 0 | 111.3 | F93 H98 E99 A103 T104 V138 E142 A143 K146 | F93-F101 HydrophobicContact CB-CB 4.44Å; F93-F101 AromaticContact CD1-CD2 3.94Å; F93-F101 HydrophobicContact CD1-CD2 3.94Å; F93-F101 HydrophobicContact CD2-CB 3.68Å; F93-F101 AromaticContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CG 4.27Å; F93-F101 AromaticContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CE2 4.23Å; F93-F101 HydrophobicContact CE2-CB 4.08Å; F93-F101 AromaticContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CG 4.26Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 HydrophobicContact CG-CD2 4.05Å; F93-F101 AromaticContact CZ-CD2 3.72Å; F93-F101 HydrophobicContact CZ-CD2 3.72Å; F93-F101 HydrophobicContact CZ-CE2 4.24Å; H98-F101 WeakPolarHBondContact O-CB 3.28Å; H98-F101 PolarHBondContact O-N 2.68Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 2.85Å; F101-A103 VanDerWaalsContact C-N 3.29Å; F101-A103 PolarHBondContact O-N 3.28Å; F101-T104 WeakPolarHBondContact O-CB 3.31Å; F101-T104 WeakPolarHBondContact O-CG2 3.34Å; F101-T104 PolarHBondContact O-N 3.45Å; F101-T104 VanDerWaalsContact O-N 3.09Å; F101-T104 PolarHBondContact O-OG1 3.46Å; F101-V138 HydrophobicContact CB-CG1 4.24Å; F101-V138 HydrophobicContact CB-CG2 3.68Å; F101-V138 HydrophobicContact CD1-CG1 3.85Å; F101-V138 HydrophobicContact CD1-CG2 4.37Å; F101-V138 HydrophobicContact CD2-CG1 4.11Å; F101-V138 HydrophobicContact CE1-CG1 4.2Å; F101-V138 HydrophobicContact CE2-CG1 4.45Å; F101-V138 HydrophobicContact CG-CG1 3.8Å; F101-V138 HydrophobicContact CG-CG2 4.14Å; F101-V138 HydrophobicContact CZ-CG1 4.48Å; F101-E142 HydrophobicContact CE1-CG 3.81Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.4Å; F101-E142 HydrophobicContact CZ-CG 4.23Å; F101-A143 HydrophobicContact CE2-CB 3.99Å; F101-A143 HydrophobicContact CZ-CB 4.34Å; F101-K146 HydrophobicContact CE2-CB 4.38Å; F101-K146 HydrophobicContact CZ-CB 3.8Å; F101-K146 HydrophobicContact CZ-CG 4.1Å |
| 102 | T | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | H98 E99 T104 A105 | H98-T102 PolarHBondContact CE1-OG1 3.03Å; H98-T102 PolarHBondContact ND1-OG1 3.37Å; H98-T102 PolarHBondContact O-N 3.42Å; H98-T102 PolarHBondContact O-OG1 3.47Å; E99-T102 PolarHBondContact O-N 3.28Å; T102-T104 PolarHBondContact O-N 3.12Å; T102-T104 VanDerWaalsContact O-N 3.15Å; T102-A105 PolarHBondContact O-N 2.93Å |
| 103 | A | 96.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -20.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | S22 E99 F101 A105 E106 F107 | S22-A103 WeakPolarHBondContact OG-CB 3.3Å; E99-A103 WeakPolarHBondContact O-CB 2.96Å; E99-A103 PolarHBondContact O-N 3.32Å; F101-A103 VanDerWaalsContact C-N 3.29Å; F101-A103 PolarHBondContact O-N 3.28Å; A103-A105 PolarHBondContact O-N 3.45Å; A103-E106 PolarHBondContact O-N 3.22Å; A103-F107 HydrophobicContact CB-CD2 4.49Å; A103-F107 HydrophobicContact CB-CE2 4.16Å; A103-F107 WeakPolarHBondContact O-CD2 3.43Å; A103-F107 PolarHBondContact O-N 3.34Å |
| 104 | T | 96.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -31.4 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | L91 F93 S100 F101 T102 F107 R108 W150 | L91-T104 HydrophobicContact CD1-CG2 4.34Å; L91-T104 HydrophobicContact CG-CG2 4.07Å; F93-T104 HydrophobicContact CB-CG2 3.81Å; F93-T104 HydrophobicContact CD1-CG2 4.15Å; F93-T104 HydrophobicContact CG-CG2 4.32Å; S100-T104 WeakPolarHBondContact O-CG2 3.32Å; F101-T104 WeakPolarHBondContact O-CB 3.31Å; F101-T104 WeakPolarHBondContact O-CG2 3.34Å; F101-T104 PolarHBondContact O-N 3.45Å; F101-T104 VanDerWaalsContact O-N 3.09Å; F101-T104 PolarHBondContact O-OG1 3.46Å; T102-T104 PolarHBondContact O-N 3.12Å; T102-T104 VanDerWaalsContact O-N 3.15Å; T104-F107 PolarHBondContact O-N 3.08Å; T104-R108 WeakPolarHBondContact O-CB 3.21Å; T104-R108 PolarHBondContact O-N 3.1Å; T104-W150 WeakPolarHBondContact OG1-CH2 2.77Å |
| 105 | A | 97.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T102 A103 R108 E109 W150 | T102-A105 PolarHBondContact O-N 2.93Å; A103-A105 PolarHBondContact O-N 3.45Å; A105-R108 WeakPolarHBondContact O-CB 3.19Å; A105-R108 PolarHBondContact O-N 2.88Å; A105-E109 WeakPolarHBondContact O-CG 3.48Å; A105-E109 PolarHBondContact O-N 2.93Å; A105-W150 HydrophobicContact CB-CH2 4.38Å; A105-W150 HydrophobicContact CB-CZ2 4Å |
| 106 | E | 94.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 56.5 Ų | 56.5 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 178.7 | -61.5 | -174.6 | 175.8 | 0 | 0 | 111.6 | A103 R108 E109 Q110 | A103-E106 PolarHBondContact O-N 3.22Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.01Å; E106-E109 PolarHBondContact O-N 2.99Å; E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.01Å; E106-Q110 PolarHBondContact O-N 2.95Å |
| 107 | F | 94.7 | Very high | 95.7 | Very high | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.127 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.9 | -73.5 | -59.2 | 0 | 0 | 0 | 111.8 | V20 L91 A103 T104 Q110 I111 | V20-F107 HydrophobicContact CG1-CB 3.72Å; V20-F107 HydrophobicContact CG1-CD1 3.54Å; V20-F107 HydrophobicContact CG1-CD2 4.47Å; V20-F107 HydrophobicContact CG1-CE1 4.28Å; V20-F107 HydrophobicContact CG1-CG 3.66Å; L91-F107 HydrophobicContact CD1-CB 3.61Å; L91-F107 HydrophobicContact CD1-CD2 4.42Å; L91-F107 HydrophobicContact CD1-CG 4.35Å; A103-F107 HydrophobicContact CB-CD2 4.49Å; A103-F107 HydrophobicContact CB-CE2 4.16Å; A103-F107 WeakPolarHBondContact O-CD2 3.43Å; A103-F107 PolarHBondContact O-N 3.34Å; T104-F107 PolarHBondContact O-N 3.08Å; F107-Q110 PolarHBondContact O-N 2.61Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.19Å; F107-I111 PolarHBondContact O-N 3Å |
| 108 | R | 95.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 175.9 | -180 | 178.2 | 177.9 | -87.6 | 4 | 111.1 | L91 T104 A105 E106 Q110 I111 L112 W150 | L91-R108 HydrophobicContact CD2-CB 4.15Å; T104-R108 WeakPolarHBondContact O-CB 3.21Å; T104-R108 PolarHBondContact O-N 3.1Å; A105-R108 WeakPolarHBondContact O-CB 3.19Å; A105-R108 PolarHBondContact O-N 2.88Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.01Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.39Å; R108-I111 PolarHBondContact O-N 3.25Å; R108-I111 VanDerWaalsContact O-N 3.16Å; R108-L112 HydrophobicContact CG-CD1 4.31Å; R108-L112 HydrophobicContact CG-CG 4.34Å; R108-L112 WeakPolarHBondContact O-CG 3.34Å; R108-L112 PolarHBondContact O-N 2.92Å; R108-W150 VanDerWaalsContact NE-CG 3.27Å |
| 109 | E | 95.3 | Very high | 94.6 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.8 | -40.8 | 178.5 | -73.8 | -178.6 | 175.7 | 0 | 0 | 112.3 | A105 E106 L112 R113 | A105-E109 WeakPolarHBondContact O-CG 3.48Å; A105-E109 PolarHBondContact O-N 2.93Å; E106-E109 PolarHBondContact O-N 2.99Å; E109-L112 PolarHBondContact O-N 2.52Å; E109-R113 WeakPolarHBondContact O-CB 3.14Å; E109-R113 PolarHBondContact O-N 2.74Å |
| 110 | Q | 93.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.6 | -66.6 | 172.6 | 23.3 | 0 | 0 | 112.3 | R79 F83 E106 F107 R108 R113 V114 | R79-Q110 VanDerWaalsContact CZ-OE1 3.31Å; F83-Q110 HydrophobicContact CD2-CB 4.46Å; F83-Q110 HydrophobicContact CE2-CB 3.85Å; E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.01Å; E106-Q110 PolarHBondContact O-N 2.95Å; F107-Q110 PolarHBondContact O-N 2.61Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.39Å; Q110-R113 PolarHBondContact O-N 3.05Å; Q110-V114 WeakPolarHBondContact O-CG2 3.48Å; Q110-V114 PolarHBondContact O-N 3.26Å; Q110-V114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 174.2 | -67.5 | 161.6 | 0 | 0 | 0 | 109.7 | V20 F83 F89 F107 R108 R113 V114 K115 I121 L123 | V20-I111 HydrophobicContact CG1-CD1 4.44Å; V20-I111 HydrophobicContact CG2-CD1 4.31Å; F83-I111 HydrophobicContact CD1-CG1 4.35Å; F83-I111 HydrophobicContact CD2-CG1 4.12Å; F83-I111 HydrophobicContact CE1-CG1 4.31Å; F83-I111 HydrophobicContact CE2-CG1 4.07Å; F83-I111 HydrophobicContact CG-CG1 4.26Å; F83-I111 HydrophobicContact CZ-CG1 4.16Å; F89-I111 HydrophobicContact CB-CD1 4.1Å; F89-I111 HydrophobicContact CD1-CD1 3.73Å; F89-I111 HydrophobicContact CD1-CG1 3.95Å; F89-I111 HydrophobicContact CD1-CG2 4.24Å; F89-I111 HydrophobicContact CD2-CG2 3.85Å; F89-I111 HydrophobicContact CE1-CD1 4.36Å; F89-I111 HydrophobicContact CE1-CG1 4.06Å; F89-I111 HydrophobicContact CE1-CG2 4.11Å; F89-I111 HydrophobicContact CE2-CG2 3.72Å; F89-I111 HydrophobicContact CG-CD1 3.93Å; F89-I111 HydrophobicContact CG-CG1 4.41Å; F89-I111 HydrophobicContact CG-CG2 4.11Å; F89-I111 HydrophobicContact CZ-CG2 3.85Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.19Å; F107-I111 PolarHBondContact O-N 3Å; R108-I111 PolarHBondContact O-N 3.25Å; R108-I111 VanDerWaalsContact O-N 3.16Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 2.87Å; I111-V114 PolarHBondContact O-N 2.95Å; I111-K115 HydrophobicContact CG2-CG 4.25Å; I111-K115 VanDerWaalsContact O-CB 3.23Å; I111-K115 WeakPolarHBondContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CG 3.36Å; I111-K115 PolarHBondContact O-N 2.72Å; I111-I121 HydrophobicContact CG2-CG2 3.98Å; I111-L123 HydrophobicContact CD1-CD1 4.04Å |
| 112 | L | 95.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 180 | -67.1 | -175.6 | 0 | 0 | 0 | 111.9 | R108 E109 K115 A116 I121 | R108-L112 HydrophobicContact CG-CD1 4.31Å; R108-L112 HydrophobicContact CG-CG 4.34Å; R108-L112 WeakPolarHBondContact O-CG 3.34Å; R108-L112 PolarHBondContact O-N 2.92Å; E109-L112 PolarHBondContact O-N 2.52Å; L112-K115 CarbonylContact O-C 3.51Å; L112-K115 PolarHBondContact O-N 2.94Å; L112-A116 WeakPolarHBondContact O-CA 3.45Å; L112-A116 PolarHBondContact O-N 3.32Å; L112-I121 HydrophobicContact CD2-CD1 3.45Å; L112-I121 VanDerWaalsContact CD2-CD1 3.45Å |
| 113 | R | 95.1 | Very high | 94.1 | Very high | 140 Ų | 140 | 64.6 Ų | 64.6 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.5 | -175.5 | -172.6 | 72 | -151.7 | 2.6 | 111.9 | D80 E109 Q110 I111 K115 | D80-R113 IonicContact OD1-NH2 3.37Å; D80-R113 PolarHBondContact OD1-NH2 3.08Å; D80-R113 IonicContact OD2-NH2 2.74Å; E109-R113 WeakPolarHBondContact O-CB 3.14Å; E109-R113 PolarHBondContact O-N 2.74Å; Q110-R113 PolarHBondContact O-N 3.05Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 2.87Å; R113-K115 VanDerWaalsContact C-N 3.31Å |
| 114 | V | 94.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.5 | -29.5 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | D80 F83 R84 Q110 I111 | D80-V114 HydrophobicContact CB-CG2 4.01Å; D80-V114 WeakPolarHBondContact O-CG1 3.27Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.27Å; F83-V114 HydrophobicContact CB-CB 4.08Å; F83-V114 HydrophobicContact CB-CG1 3.85Å; F83-V114 HydrophobicContact CB-CG2 4.34Å; F83-V114 HydrophobicContact CD2-CG2 4.28Å; R84-V114 HydrophobicContact CB-CG1 3.85Å; Q110-V114 WeakPolarHBondContact O-CG2 3.48Å; Q110-V114 PolarHBondContact O-N 3.26Å; Q110-V114 VanDerWaalsContact O-N 3.1Å; I111-V114 PolarHBondContact O-N 2.95Å |
| 115 | K | 94.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 22.3 | -177.3 | -65.3 | -79.9 | 170.8 | 179.6 | 0 | 113.1 | F83 R84 G86 F89 I111 L112 R113 E117 E118 I121 | F83-K115 WeakPolarHBondContact O-CE 3.49Å; F83-K115 PolarHBondContact O-NZ 2.91Å; R84-K115 PolarHBondContact O-NZ 3.44Å; G86-K115 WeakPolarHBondContact O-CE 3.49Å; G86-K115 PolarHBondContact O-NZ 2.79Å; F89-K115 HydrophobicContact CE2-CG 4.39Å; F89-K115 HydrophobicContact CZ-CG 4.36Å; I111-K115 HydrophobicContact CG2-CG 4.25Å; I111-K115 VanDerWaalsContact O-CB 3.23Å; I111-K115 WeakPolarHBondContact O-CB 3.26Å; I111-K115 WeakPolarHBondContact O-CG 3.36Å; I111-K115 PolarHBondContact O-N 2.72Å; L112-K115 CarbonylContact O-C 3.51Å; L112-K115 PolarHBondContact O-N 2.94Å; R113-K115 VanDerWaalsContact C-N 3.31Å; K115-E117 PolarHBondContact O-N 3.43Å; K115-E118 HydrophobicContact CD-CG 4.29Å; K115-E118 WeakPolarHBondContact CD-OE1 3.27Å; K115-E118 WeakPolarHBondContact CD-OE2 3.27Å; K115-E118 WeakPolarHBondContact CE-OE1 3.12Å; K115-E118 IonicContact NZ-OE1 2.68Å; K115-E118 PolarHBondContact NZ-OE1 3.39Å; K115-E118 IonicContact NZ-OE2 2.76Å; K115-E118 WeakPolarHBondContact O-CB 3.22Å; K115-E118 PolarHBondContact O-N 2.76Å; K115-I121 HydrophobicContact CB-CD1 3.4Å; K115-I121 VanDerWaalsContact CB-CD1 3.4Å; K115-I121 HydrophobicContact CB-CG1 3.82Å; K115-I121 HydrophobicContact CG-CD1 4.34Å; K115-I121 HydrophobicContact CG-CG1 4.48Å |
| 116 | A | 92.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 62 Ų | 62 | 69% | 0.686 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | L112 E118 | L112-A116 WeakPolarHBondContact O-CA 3.45Å; L112-A116 PolarHBondContact O-N 3.32Å; A116-E118 VanDerWaalsContact C-N 3.33Å |
| 117 | E | 89.8 | Confident | 94.6 | Very high | 194 Ų | 194 | 56 Ų | 56 | 91% | 0.907 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -5.4 | 176.8 | -61.5 | 179.7 | -176.2 | 0 | 0 | 113.2 | K115 | K115-E117 PolarHBondContact O-N 3.43Š|
| 118 | E | 89.1 | Confident | 94.8 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -102.2 | 121.3 | -175.2 | -57.5 | -176.5 | -168.3 | 0 | 0 | 111.3 | K115 A116 K120 I121 K179 | K115-E118 HydrophobicContact CD-CG 4.29Å; K115-E118 WeakPolarHBondContact CD-OE1 3.27Å; K115-E118 WeakPolarHBondContact CD-OE2 3.27Å; K115-E118 WeakPolarHBondContact CE-OE1 3.12Å; K115-E118 IonicContact NZ-OE1 2.68Å; K115-E118 PolarHBondContact NZ-OE1 3.39Å; K115-E118 IonicContact NZ-OE2 2.76Å; K115-E118 WeakPolarHBondContact O-CB 3.22Å; K115-E118 PolarHBondContact O-N 2.76Å; A116-E118 VanDerWaalsContact C-N 3.33Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 3.42Å; E118-I121 HydrophobicContact CB-CG1 4.26Å; E118-K179 IonicContact OE2-NZ 2.79Å; E118-K179 PolarHBondContact OE2-NZ 3.05Å | ||
| 119 | D | 84.9 | Confident | 94.9 | Very high | 174 Ų | 174 | 54.2 Ų | 54.2 | 93% | 0.93 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.3 | -32.1 | -177.7 | -65.5 | -40.6 | 0 | 0 | 0 | 113.6 | ||
| 120 | K | 89.2 | Confident | 95.1 | Very high | 134 Ų | 134 | 49.3 Ų | 49.3 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | trans | -138.6 | 128.7 | 179.4 | -174.6 | 173.5 | -178.5 | 176.8 | 0 | 109.8 | E118 K179 | E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 3.42Å; K120-K179 VanDerWaalsContact O-CD 3.27Å; K120-K179 WeakPolarHBondContact O-CD 3.44Å; K120-K179 WeakPolarHBondContact O-CE 3.42Å; K120-K179 PolarHBondContact O-NZ 3.27Å | ||
| 121 | I | 95.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | trans | -111.3 | 114.2 | 178.9 | -62.4 | 157.4 | 0 | 0 | 0 | 108 | F89 I111 L112 K115 E118 L123 | F89-I121 HydrophobicContact CD2-CG2 3.73Å; F89-I121 HydrophobicContact CE2-CG2 3.78Å; I111-I121 HydrophobicContact CG2-CG2 3.98Å; L112-I121 HydrophobicContact CD2-CD1 3.45Å; L112-I121 VanDerWaalsContact CD2-CD1 3.45Å; K115-I121 HydrophobicContact CB-CD1 3.4Å; K115-I121 VanDerWaalsContact CB-CD1 3.4Å; K115-I121 HydrophobicContact CB-CG1 3.82Å; K115-I121 HydrophobicContact CG-CD1 4.34Å; K115-I121 HydrophobicContact CG-CG1 4.48Å; E118-I121 HydrophobicContact CB-CG1 4.26Å; I121-L123 PolarHBondContact O-N 3.09Å; I121-L123 VanDerWaalsContact O-N 3.15Å | ||
| 122 | P | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -59.9 | 114.5 | 174 | -24.6 | 36.2 | 0 | 0 | 0 | 110.2 | E87 G88 F89 L172 E175 V176 K179 | E87-P122 WeakPolarHBondContact O-CD 3.34Å; E87-P122 WeakPolarHBondContact O-CG 3.32Å; G88-P122 WeakPolarHBondContact CA-O 3.27Å; F89-P122 PolarHBondContact N-O 3.15Å; P122-L172 HydrophobicContact CB-CD1 3.87Å; P122-E175 HydrophobicContact CB-CB 3.84Å; P122-E175 HydrophobicContact CG-CB 4.48Å; P122-V176 HydrophobicContact CB-CG2 3.8Å; P122-V176 HydrophobicContact CG-CG2 4Å; P122-K179 HydrophobicContact CG-CB 4.35Å; P122-K179 HydrophobicContact CG-CD 3.86Å | ||
| 123 | L | 98.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 130.3 | -173.8 | -174.2 | 144.8 | 0 | 0 | 0 | 109.6 | F89 L91 I111 I121 V125 V152 E175 | F89-L123 HydrophobicContact CB-CD1 4.21Å; F89-L123 HydrophobicContact CB-CG 4.31Å; F89-L123 WeakPolarHBondContact O-CA 3.41Å; L91-L123 HydrophobicContact CB-CD2 4.42Å; L91-L123 HydrophobicContact CD2-CD2 4.31Å; I111-L123 HydrophobicContact CD1-CD1 4.04Å; I121-L123 PolarHBondContact O-N 3.09Å; I121-L123 VanDerWaalsContact O-N 3.15Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; L123-V152 HydrophobicContact CB-CG1 4.25Å; L123-V152 HydrophobicContact CD2-CB 4.17Å; L123-V152 HydrophobicContact CD2-CG1 3.85Å; L123-V152 HydrophobicContact CD2-CG2 3.98Å; L123-V152 WeakPolarHBondContact O-CB 3.36Å; L123-V152 WeakPolarHBondContact O-CG1 3.37Å; L123-E175 PolarHBondContact N-OE2 2.97Å |
| 124 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.9 | 174.5 | -120.7 | 73.3 | 0 | 0 | 0 | 109.6 | F89 L90 L91 Q153 V155 V168 D171 | F89-L124 PolarHBondContact O-N 3.42Å; L90-L124 HydrophobicContact CD2-CB 3.71Å; L90-L124 HydrophobicContact CD2-CD2 4.45Å; L91-L124 PolarHBondContact N-O 2.95Å; L124-Q153 HydrophobicContact CD1-CB 3.89Å; L124-Q153 HydrophobicContact CD1-CG 4.36Å; L124-Q153 HydrophobicContact CG-CB 4.09Å; L124-V155 HydrophobicContact CD2-CG2 4.16Å; L124-V168 HydrophobicContact CD2-CB 4.28Å; L124-V168 HydrophobicContact CD2-CG1 4.3Å; L124-D171 HydrophobicContact CD2-CB 4.22Å |
| 125 | V | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.6 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | L91 F93 L123 A147 W150 V152 Q153 Y154 V155 | L91-V125 HydrophobicContact CD2-CG2 4.44Å; F93-V125 HydrophobicContact CD1-CG1 4.2Å; F93-V125 HydrophobicContact CE1-CG1 3.8Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; V125-A147 HydrophobicContact CB-CB 4.41Å; V125-A147 HydrophobicContact CG2-CB 4.33Å; V125-W150 HydrophobicContact CG2-CE3 3.85Å; V125-W150 HydrophobicContact CG2-CZ3 3.9Å; V125-V152 HydrophobicContact CG2-CG2 3.63Å; V125-Q153 PolarHBondContact N-O 2.93Å; V125-Y154 HydrophobicContact CB-CD2 4.29Å; V125-Y154 HydrophobicContact CG1-CD2 3.91Å; V125-Y154 HydrophobicContact CG1-CE2 4.47Å; V125-Y154 WeakPolarHBondContact O-CA 3.47Å; V125-V155 PolarHBondContact O-N 3.45Å |
| 126 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.3 | -173.4 | -177 | 0 | 0 | 0 | 0 | 110.7 | L30 L90 L91 V92 F93 V155 T157 V168 | L30-V126 HydrophobicContact CD1-CG1 4.27Å; L90-V126 HydrophobicContact CB-CG2 4.49Å; L90-V126 HydrophobicContact CD2-CG2 3.99Å; L91-V126 PolarHBondContact O-N 3.3Å; V92-V126 WeakPolarHBondContact CA-O 3.27Å; V92-V126 HydrophobicContact CG2-CB 4.26Å; F93-V126 VanDerWaalsContact CD1-O 3.31Å; F93-V126 WeakPolarHBondContact CD1-O 3.33Å; F93-V126 PolarHBondContact N-O 3.18Å; V126-V155 WeakPolarHBondContact CA-O 3.4Å; V126-T157 HydrophobicContact CG1-CG2 3.66Å; V126-T157 VanDerWaalsContact CG1-OG1 3.27Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.21Å; V126-V168 HydrophobicContact CG1-CG1 4.33Å; V126-V168 HydrophobicContact CG2-CB 4.21Å; V126-V168 HydrophobicContact CG2-CG1 3.93Å |
| 127 | G | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | V155 E156 T157 | G127-V155 PolarHBondContact N-O 3.12Å; G127-E156 CarbonylContact O-C 3.38Å; G127-E156 VanDerWaalsContact O-CA 3.23Å; G127-E156 WeakPolarHBondContact O-CA 3.43Å; G127-T157 PolarHBondContact O-N 2.92Å |
| 128 | N | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 167.7 | -179.6 | -170 | 31.9 | 0 | 0 | 0 | 111.9 | V25 L30 V92 F93 I95 T157 A159 | V25-N128 PolarHBondContact O-ND2 3.43Å; L30-N128 HydrophobicContact CD1-CB 4.32Å; V92-N128 HydrophobicContact CG1-CB 3.98Å; F93-N128 PolarHBondContact O-N 3.06Å; I95-N128 PolarHBondContact N-O 3.23Å; N128-T157 CarbonylContact C-O 3.56Å; N128-T157 WeakPolarHBondContact CA-O 3.37Å; N128-T157 PolarHBondContact OD1-O 2.91Å; N128-T157 PolarHBondContact OD1-OG1 3.48Å; N128-A159 PolarHBondContact OD1-N 2.91Å |
| 129 | K | 98.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | trans | 68.9 | 34.9 | -177.2 | -43.4 | -171 | -162.1 | 171.8 | 0 | 113.1 | G24 S94 I95 T96 E97 D131 L132 T157 | G24-K129 WeakPolarHBondContact O-CE 3.32Å; G24-K129 PolarHBondContact O-NZ 3.46Å; S94-K129 WeakPolarHBondContact OG-CD 3.49Å; S94-K129 VanDerWaalsContact OG-CE 3.29Å; S94-K129 WeakPolarHBondContact OG-CE 3.49Å; I95-K129 WeakPolarHBondContact CD1-O 3.25Å; I95-K129 WeakPolarHBondContact CG1-O 2.83Å; T96-K129 HydrophobicContact CG2-CB 4.44Å; E97-K129 IonicContact OE1-NZ 2.81Å; E97-K129 PolarHBondContact OE1-NZ 3Å; K129-D131 PolarHBondContact O-N 2.92Å; K129-D131 VanDerWaalsContact O-N 3.12Å; K129-L132 HydrophobicContact CB-CD1 4.09Å; K129-L132 HydrophobicContact CB-CG 4.35Å; K129-L132 HydrophobicContact CD-CD1 4.16Å; K129-L132 WeakPolarHBondContact O-CB 3.42Å; K129-L132 PolarHBondContact O-N 2.57Å; K129-T157 PolarHBondContact N-O 3.01Å | ||
| 130 | S | 98.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13 | 176.2 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | L132 T157 | S130-L132 PolarHBondContact O-N 3.43Å; S130-T157 WeakPolarHBondContact CB-O 3.16Å; S130-T157 PolarHBondContact N-O 2.94Å; S130-T157 VanDerWaalsContact OG-C 3.29Å; S130-T157 PolarHBondContact OG-O 3.26Å; S130-T157 VanDerWaalsContact OG-O 3.11Å |
| 131 | D | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.1 | 168.9 | 55.9 | -75.4 | 0 | 0 | 0 | 113.7 | K129 S158 T161 | K129-D131 PolarHBondContact O-N 2.92Å; K129-D131 VanDerWaalsContact O-N 3.12Å; D131-S158 WeakPolarHBondContact CB-OG 3.31Å; D131-S158 VanDerWaalsContact CG-OG 3.25Å; D131-S158 VanDerWaalsContact OD1-CB 3.22Å; D131-S158 WeakPolarHBondContact OD1-CB 3.31Å; D131-S158 PolarHBondContact OD1-OG 2.88Å; D131-T161 HydrophobicContact CB-CG2 4.08Å |
| 132 | L | 97.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | trans | -103 | 46.7 | -179.2 | -57.7 | -177.7 | 0 | 0 | 0 | 112.2 | T96 K129 S130 D134 R135 R136 | T96-L132 HydrophobicContact CG2-CB 3.62Å; T96-L132 HydrophobicContact CG2-CD1 4.02Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; K129-L132 HydrophobicContact CB-CD1 4.09Å; K129-L132 HydrophobicContact CB-CG 4.35Å; K129-L132 HydrophobicContact CD-CD1 4.16Å; K129-L132 WeakPolarHBondContact O-CB 3.42Å; K129-L132 PolarHBondContact O-N 2.57Å; S130-L132 PolarHBondContact O-N 3.43Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.33Å; L132-R135 HydrophobicContact CB-CB 4.49Å; L132-R135 PolarHBondContact O-N 3Å; L132-R136 PolarHBondContact O-N 3.11Å | ||
| 133 | E | 97.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -55.7 | -39.7 | -175.9 | -167.8 | 61.6 | -151.7 | 0 | 0 | 112.8 | R135 R136 | E133-R135 PolarHBondContact O-N 2.82Å; E133-R136 VanDerWaalsContact CD-NE 3.28Å; E133-R136 WeakPolarHBondContact O-CB 3.34Å; E133-R136 PolarHBondContact O-N 3.04Å; E133-R136 IonicContact OE1-CZ 2.72Å; E133-R136 IonicContact OE1-NE 3.95Å; E133-R136 PolarHBondContact OE1-NE 2.86Å; E133-R136 IonicContact OE1-NH2 3.79Å; E133-R136 IonicContact OE2-CZ 3.41Å; E133-R136 IonicContact OE2-NE 3.43Å; E133-R136 PolarHBondContact OE2-NE 3.44Å; E133-R136 IonicContact OE2-NH2 3.22Å; E133-R136 PolarHBondContact OE2-NH2 3.41Å |
| 134 | D | 98 | Very high | 98.4 | Very high | 172 Ų | 172 | 58.6 Ų | 58.6 | 92% | 0.92 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -63 | -15.5 | 178.1 | -62.1 | -32.2 | 0 | 0 | 0 | 113.7 | L132 | L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.33Å |
| 135 | R | 98.1 | Very high | 98.4 | Very high | 175 Ų | 175 | 61.2 Ų | 61.2 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -110.7 | 10.8 | 179.2 | -58.7 | -175.4 | -176.1 | -179.7 | 1.9 | 112.4 | T96 L132 E133 Q137 | T96-R135 WeakPolarHBondContact CA-O 3.23Å; T96-R135 HydrophobicContact CG2-CB 3.87Å; L132-R135 HydrophobicContact CB-CB 4.49Å; L132-R135 PolarHBondContact O-N 3Å; E133-R135 PolarHBondContact O-N 2.82Å; R135-Q137 PolarHBondContact O-N 2.81Å |
| 136 | R | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | trans | -59 | 128.6 | -179.2 | -179.7 | 179.6 | -70.7 | -86.7 | 4.8 | 110.8 | I95 L132 E133 V138 E156 | I95-R136 HydrophobicContact CD1-CB 4.39Å; I95-R136 HydrophobicContact CD1-CG 4.46Å; L132-R136 PolarHBondContact O-N 3.11Å; E133-R136 VanDerWaalsContact CD-NE 3.28Å; E133-R136 WeakPolarHBondContact O-CB 3.34Å; E133-R136 PolarHBondContact O-N 3.04Å; E133-R136 IonicContact OE1-CZ 2.72Å; E133-R136 IonicContact OE1-NE 3.95Å; E133-R136 PolarHBondContact OE1-NE 2.86Å; E133-R136 IonicContact OE1-NH2 3.79Å; E133-R136 IonicContact OE2-CZ 3.41Å; E133-R136 IonicContact OE2-NE 3.43Å; E133-R136 PolarHBondContact OE2-NE 3.44Å; E133-R136 IonicContact OE2-NH2 3.22Å; E133-R136 PolarHBondContact OE2-NH2 3.41Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.4Å; R136-V138 WeakPolarHBondContact CG-O 3.43Å; R136-V138 PolarHBondContact NH1-O 2.77Å; R136-E156 IonicContact CZ-OE1 3.64Å; R136-E156 IonicContact CZ-OE2 2.73Å; R136-E156 IonicContact NH1-OE1 2.98Å; R136-E156 PolarHBondContact NH1-OE1 2.98Å; R136-E156 IonicContact NH1-OE2 3.55Å; R136-E156 IonicContact NH2-OE1 2.76Å; R136-E156 PolarHBondContact NH2-OE1 2.8Å; R136-E156 IonicContact NH2-OE2 3.58Å; R136-E156 PolarHBondContact NH2-OE2 3.02Å | ||
| 137 | Q | 98.7 | Very high | 98.4 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | trans | -113.8 | -21.1 | 172.4 | -61.9 | -175.9 | 5.2 | 0 | 0 | 112.3 | I95 T96 H98 R135 | I95-Q137 PolarHBondContact O-N 3.23Å; T96-Q137 PolarHBondContact O-NE2 2.89Å; T96-Q137 PolarHBondContact O-OE1 3.03Å; H98-Q137 HydrophobicContact CB-CB 4.2Å; R135-Q137 PolarHBondContact O-N 2.81Å | ||
| 138 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -111.4 | 119.9 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | F93 I95 H98 F101 R136 A143 | F93-V138 HydrophobicContact CE2-CB 4.06Å; F93-V138 HydrophobicContact CE2-CG1 3.89Å; F93-V138 HydrophobicContact CE2-CG2 4.22Å; F93-V138 HydrophobicContact CZ-CG1 4.31Å; I95-V138 PolarHBondContact O-N 3.4Å; I95-V138 VanDerWaalsContact O-N 3.12Å; H98-V138 HydrophobicContact CB-CG2 4.37Å; F101-V138 HydrophobicContact CB-CG1 4.24Å; F101-V138 HydrophobicContact CB-CG2 3.68Å; F101-V138 HydrophobicContact CD1-CG1 3.85Å; F101-V138 HydrophobicContact CD1-CG2 4.37Å; F101-V138 HydrophobicContact CD2-CG1 4.11Å; F101-V138 HydrophobicContact CE1-CG1 4.2Å; F101-V138 HydrophobicContact CE2-CG1 4.45Å; F101-V138 HydrophobicContact CG-CG1 3.8Å; F101-V138 HydrophobicContact CG-CG2 4.14Å; F101-V138 HydrophobicContact CZ-CG1 4.48Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.4Å; R136-V138 WeakPolarHBondContact CG-O 3.43Å; R136-V138 PolarHBondContact NH1-O 2.77Å; V138-A143 HydrophobicContact CG1-CB 4.2Å |
| 139 | S | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -73.3 | 150.1 | 179.9 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | D141 E142 A143 | S139-D141 PolarHBondContact O-N 3.02Å; S139-E142 PolarHBondContact O-N 3.38Å; S139-E142 WeakPolarHBondContact OG-CB 3.4Å; S139-E142 PolarHBondContact OG-N 3.15Å; S139-E142 VanDerWaalsContact OG-N 3.12Å; S139-A143 PolarHBondContact O-N 3.16Å; S139-A143 VanDerWaalsContact O-N 3.13Å | ||
| 140 | V | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 76.7 Ų | 76.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -40 | 176 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | R144 Y154 E156 | V140-R144 WeakPolarHBondContact O-CB 3.35Å; V140-R144 PolarHBondContact O-N 2.85Å; V140-Y154 HydrophobicContact CG1-CE1 4.29Å; V140-E156 WeakPolarHBondContact CG2-OE1 3.29Å |
| 141 | D | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 78.8 Ų | 78.8 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | -176.8 | -67.7 | -28.8 | 0 | 0 | 0 | 112 | S139 R144 A145 | S139-D141 PolarHBondContact O-N 3.02Å; D141-R144 PolarHBondContact O-N 2.91Å; D141-R144 IonicContact OD1-NH1 3.08Å; D141-A145 WeakPolarHBondContact O-CB 3.07Å; D141-A145 PolarHBondContact O-N 3.34Å |
| 142 | E | 98.2 | Very high | 98.1 | Very high | 76 Ų | 76 | 77.4 Ų | 77.4 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 174.7 | 179.8 | -175.4 | -174.2 | 0 | 0 | 111.6 | H98 F101 S139 R144 A145 K146 | H98-E142 IonicContact NE2-OE1 3.13Å; F101-E142 HydrophobicContact CE1-CG 3.81Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.4Å; F101-E142 HydrophobicContact CZ-CG 4.23Å; S139-E142 PolarHBondContact O-N 3.38Å; S139-E142 WeakPolarHBondContact OG-CB 3.4Å; S139-E142 PolarHBondContact OG-N 3.15Å; S139-E142 VanDerWaalsContact OG-N 3.12Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.29Å; E142-A145 PolarHBondContact O-N 2.97Å; E142-K146 PolarHBondContact O-N 3.31Å |
| 143 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | F93 F101 V138 S139 K146 A147 Y154 | F93-A143 HydrophobicContact CZ-CB 3.91Å; F101-A143 HydrophobicContact CE2-CB 3.99Å; F101-A143 HydrophobicContact CZ-CB 4.34Å; V138-A143 HydrophobicContact CG1-CB 4.2Å; S139-A143 PolarHBondContact O-N 3.16Å; S139-A143 VanDerWaalsContact O-N 3.13Å; A143-K146 PolarHBondContact O-N 2.85Å; A143-A147 WeakPolarHBondContact O-CB 3.48Å; A143-A147 PolarHBondContact O-N 2.92Å; A143-Y154 HydrophobicContact CB-CD1 4.11Å; A143-Y154 HydrophobicContact CB-CD2 4.17Å; A143-Y154 HydrophobicContact CB-CE1 3.64Å; A143-Y154 HydrophobicContact CB-CE2 3.71Å; A143-Y154 HydrophobicContact CB-CG 4.35Å; A143-Y154 VanDerWaalsContact CB-CZ 3.4Å |
| 144 | R | 98.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 75.9 Ų | 75.9 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 176.1 | -174.5 | -179.8 | -67.5 | 142.2 | -0.2 | 111.9 | V140 D141 E142 K146 A147 E148 Y154 | V140-R144 WeakPolarHBondContact O-CB 3.35Å; V140-R144 PolarHBondContact O-N 2.85Å; D141-R144 PolarHBondContact O-N 2.91Å; D141-R144 IonicContact OD1-NH1 3.08Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.29Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 3.17Å; R144-A147 PolarHBondContact O-N 3.03Å; R144-E148 WeakPolarHBondContact O-CB 3.49Å; R144-E148 PolarHBondContact O-N 2.9Å; R144-Y154 HydrophobicContact CB-CD1 4.22Å |
| 145 | A | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D141 E142 E148 E149 | D141-A145 WeakPolarHBondContact O-CB 3.07Å; D141-A145 PolarHBondContact O-N 3.34Å; E142-A145 PolarHBondContact O-N 2.97Å; A145-E148 PolarHBondContact O-N 2.92Å; A145-E149 PolarHBondContact O-N 2.9Å |
| 146 | K | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 27% | 0.265 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.4 | -162.8 | 73.2 | -168.2 | 162 | 0 | 112.8 | F101 E142 A143 R144 E148 E149 W150 | F101-K146 HydrophobicContact CE2-CB 4.38Å; F101-K146 HydrophobicContact CZ-CB 3.8Å; F101-K146 HydrophobicContact CZ-CG 4.1Å; E142-K146 PolarHBondContact O-N 3.31Å; A143-K146 PolarHBondContact O-N 2.85Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 3.17Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E149 VanDerWaalsContact NZ-CD 3.25Å; K146-E149 IonicContact NZ-OE1 2.67Å; K146-E149 PolarHBondContact NZ-OE1 2.9Å; K146-E149 IonicContact NZ-OE2 3.56Å; K146-E149 PolarHBondContact NZ-OE2 3.03Å; K146-E149 WeakPolarHBondContact O-CB 3.23Å; K146-E149 PolarHBondContact O-N 3.1Å; K146-W150 HydrophobicContact CD-CZ2 4.14Å; K146-W150 HydrophobicContact CG-CD2 4.32Å; K146-W150 HydrophobicContact CG-CE3 4.44Å; K146-W150 HydrophobicContact CG-CH2 3.9Å; K146-W150 HydrophobicContact CG-CZ2 3.75Å; K146-W150 HydrophobicContact CG-CZ3 4.24Å; K146-W150 PolarHBondContact O-N 3.19Å; K146-W150 VanDerWaalsContact O-N 3.16Å |
| 147 | A | 98.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V125 A143 R144 W150 G151 V152 | V125-A147 HydrophobicContact CB-CB 4.41Å; V125-A147 HydrophobicContact CG2-CB 4.33Å; A143-A147 WeakPolarHBondContact O-CB 3.48Å; A143-A147 PolarHBondContact O-N 2.92Å; R144-A147 PolarHBondContact O-N 3.03Å; A147-W150 CarbonylContact O-C 3.54Å; A147-W150 PolarHBondContact O-N 3.32Å; A147-G151 PolarHBondContact O-N 2.87Å; A147-V152 CarbonylContact C-O 3.58Å; A147-V152 HydrophobicContact CB-CG2 4.12Å; A147-V152 WeakPolarHBondContact CB-O 3.41Å; A147-V152 PolarHBondContact O-N 3.1Å; A147-V152 VanDerWaalsContact O-O 3.13Å |
| 148 | E | 98.1 | Very high | 98.2 | Very high | 153 Ų | 153 | 53.6 Ų | 53.6 | 72% | 0.715 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 174.7 | -175.2 | 172.9 | -165.6 | 0 | 0 | 112 | R144 A145 K146 W150 G151 | R144-E148 WeakPolarHBondContact O-CB 3.49Å; R144-E148 PolarHBondContact O-N 2.9Å; A145-E148 PolarHBondContact O-N 2.92Å; K146-E148 VanDerWaalsContact C-N 3.34Å; E148-W150 PolarHBondContact O-N 3.14Å; E148-G151 PolarHBondContact O-N 3.18Å |
| 149 | E | 97.8 | Very high | 98.2 | Very high | 130 Ų | 130 | 53.7 Ų | 53.7 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -53.7 | -37.9 | 172.4 | -175.7 | -162.9 | 136.8 | 0 | 0 | 111.6 | A145 K146 | A145-E149 PolarHBondContact O-N 2.9Å; K146-E149 VanDerWaalsContact NZ-CD 3.25Å; K146-E149 IonicContact NZ-OE1 2.67Å; K146-E149 PolarHBondContact NZ-OE1 2.9Å; K146-E149 IonicContact NZ-OE2 3.56Å; K146-E149 PolarHBondContact NZ-OE2 3.03Å; K146-E149 WeakPolarHBondContact O-CB 3.23Å; K146-E149 PolarHBondContact O-N 3.1Å |
| 150 | W | 97.2 | Very high | 98.1 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.3 | 179.4 | -66.9 | -12.2 | 0 | 0 | 0 | 114.6 | L91 T104 A105 R108 V125 K146 A147 E148 V152 | L91-W150 HydrophobicContact CD2-CZ3 3.97Å; T104-W150 WeakPolarHBondContact OG1-CH2 2.77Å; A105-W150 HydrophobicContact CB-CH2 4.38Å; A105-W150 HydrophobicContact CB-CZ2 4Å; R108-W150 VanDerWaalsContact NE-CG 3.27Å; V125-W150 HydrophobicContact CG2-CE3 3.85Å; V125-W150 HydrophobicContact CG2-CZ3 3.9Å; K146-W150 HydrophobicContact CD-CZ2 4.14Å; K146-W150 HydrophobicContact CG-CD2 4.32Å; K146-W150 HydrophobicContact CG-CE3 4.44Å; K146-W150 HydrophobicContact CG-CH2 3.9Å; K146-W150 HydrophobicContact CG-CZ2 3.75Å; K146-W150 HydrophobicContact CG-CZ3 4.24Å; K146-W150 PolarHBondContact O-N 3.19Å; K146-W150 VanDerWaalsContact O-N 3.16Å; A147-W150 CarbonylContact O-C 3.54Å; A147-W150 PolarHBondContact O-N 3.32Å; E148-W150 PolarHBondContact O-N 3.14Å; W150-V152 VanDerWaalsContact C-N 3.35Å; W150-V152 HydrophobicContact CB-CG2 3.87Å; W150-V152 HydrophobicContact CE3-CG2 4.42Å |
| 151 | G | 97.1 | Very high | 98.1 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 30 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A147 E148 | A147-G151 PolarHBondContact O-N 2.87Å; E148-G151 PolarHBondContact O-N 3.18Å |
| 152 | V | 97.7 | Very high | 98 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -124.9 | 163.4 | -177.3 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | L123 V125 A147 W150 | L123-V152 HydrophobicContact CB-CG1 4.25Å; L123-V152 HydrophobicContact CD2-CB 4.17Å; L123-V152 HydrophobicContact CD2-CG1 3.85Å; L123-V152 HydrophobicContact CD2-CG2 3.98Å; L123-V152 WeakPolarHBondContact O-CB 3.36Å; L123-V152 WeakPolarHBondContact O-CG1 3.37Å; V125-V152 HydrophobicContact CG2-CG2 3.63Å; A147-V152 CarbonylContact C-O 3.58Å; A147-V152 HydrophobicContact CB-CG2 4.12Å; A147-V152 WeakPolarHBondContact CB-O 3.41Å; A147-V152 PolarHBondContact O-N 3.1Å; A147-V152 VanDerWaalsContact O-O 3.13Å; W150-V152 VanDerWaalsContact C-N 3.35Å; W150-V152 HydrophobicContact CB-CG2 3.87Å; W150-V152 HydrophobicContact CE3-CG2 4.42Å | ||
| 153 | Q | 97.1 | Very high | 98.1 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 144.9 | 178.1 | -58.1 | -175.7 | 9 | 0 | 0 | 111.4 | L124 V125 | L124-Q153 HydrophobicContact CD1-CB 3.89Å; L124-Q153 HydrophobicContact CD1-CG 4.36Å; L124-Q153 HydrophobicContact CG-CB 4.09Å; V125-Q153 PolarHBondContact N-O 2.93Å |
| 154 | Y | 98.7 | Very high | 98.1 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133 | 168.3 | 175.2 | -125.1 | 0 | 0 | 0 | 110.6 | F93 V125 V140 A143 R144 E156 | F93-Y154 HydrophobicContact CE1-CD2 4.43Å; F93-Y154 AromaticContact CE1-CE2 3.7Å; F93-Y154 HydrophobicContact CE1-CE2 3.7Å; F93-Y154 AromaticContact CZ-CE2 3.68Å; F93-Y154 HydrophobicContact CZ-CE2 3.68Å; V125-Y154 HydrophobicContact CB-CD2 4.29Å; V125-Y154 HydrophobicContact CG1-CD2 3.91Å; V125-Y154 HydrophobicContact CG1-CE2 4.47Å; V125-Y154 WeakPolarHBondContact O-CA 3.47Å; V140-Y154 HydrophobicContact CG1-CE1 4.29Å; A143-Y154 HydrophobicContact CB-CD1 4.11Å; A143-Y154 HydrophobicContact CB-CD2 4.17Å; A143-Y154 HydrophobicContact CB-CE1 3.64Å; A143-Y154 HydrophobicContact CB-CE2 3.71Å; A143-Y154 HydrophobicContact CB-CG 4.35Å; A143-Y154 VanDerWaalsContact CB-CZ 3.4Å; R144-Y154 HydrophobicContact CB-CD1 4.22Å; Y154-E156 HydrophobicContact CE1-CG 3.81Å; Y154-E156 HydrophobicContact CE2-CG 4.3Å; Y154-E156 VanDerWaalsContact CZ-CG 3.47Å; Y154-E156 WeakPolarHBondContact OH-CG 3.48Å; Y154-E156 PolarHBondContact OH-OE1 2.99Å |
| 155 | V | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.6 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 110 | L124 V125 V126 G127 T157 N164 K167 V168 | L124-V155 HydrophobicContact CD2-CG2 4.16Å; V125-V155 PolarHBondContact O-N 3.45Å; V126-V155 WeakPolarHBondContact CA-O 3.4Å; G127-V155 PolarHBondContact N-O 3.12Å; V155-T157 HydrophobicContact CG1-CG2 4.35Å; V155-N164 HydrophobicContact CG1-CB 3.84Å; V155-K167 HydrophobicContact CG1-CD 4.18Å; V155-V168 HydrophobicContact CB-CG1 3.7Å; V155-V168 HydrophobicContact CG1-CG1 3.63Å; V155-V168 HydrophobicContact CG2-CG1 4.22Å |
| 156 | E | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.3 | 169.1 | -70.5 | -166.1 | 167.6 | 0 | 0 | 111.5 | G127 R136 V140 Y154 N164 | G127-E156 CarbonylContact O-C 3.38Å; G127-E156 VanDerWaalsContact O-CA 3.23Å; G127-E156 WeakPolarHBondContact O-CA 3.43Å; R136-E156 IonicContact CZ-OE1 3.64Å; R136-E156 IonicContact CZ-OE2 2.73Å; R136-E156 IonicContact NH1-OE1 2.98Å; R136-E156 PolarHBondContact NH1-OE1 2.98Å; R136-E156 IonicContact NH1-OE2 3.55Å; R136-E156 IonicContact NH2-OE1 2.76Å; R136-E156 PolarHBondContact NH2-OE1 2.8Å; R136-E156 IonicContact NH2-OE2 3.58Å; R136-E156 PolarHBondContact NH2-OE2 3.02Å; V140-E156 WeakPolarHBondContact CG2-OE1 3.29Å; Y154-E156 HydrophobicContact CE1-CG 3.81Å; Y154-E156 HydrophobicContact CE2-CG 4.3Å; Y154-E156 VanDerWaalsContact CZ-CG 3.47Å; Y154-E156 WeakPolarHBondContact OH-CG 3.48Å; Y154-E156 PolarHBondContact OH-OE1 2.99Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.39Å; E156-N164 PolarHBondContact O-ND2 2.82Å |
| 157 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -132.8 | 157.1 | -177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | V126 G127 N128 K129 S130 V155 A163 N164 V168 | V126-T157 HydrophobicContact CG1-CG2 3.66Å; V126-T157 VanDerWaalsContact CG1-OG1 3.27Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.21Å; G127-T157 PolarHBondContact O-N 2.92Å; N128-T157 CarbonylContact C-O 3.56Å; N128-T157 WeakPolarHBondContact CA-O 3.37Å; N128-T157 PolarHBondContact OD1-O 2.91Å; N128-T157 PolarHBondContact OD1-OG1 3.48Å; K129-T157 PolarHBondContact N-O 3.01Å; S130-T157 WeakPolarHBondContact CB-O 3.16Å; S130-T157 PolarHBondContact N-O 2.94Å; S130-T157 VanDerWaalsContact OG-C 3.29Å; S130-T157 PolarHBondContact OG-O 3.26Å; S130-T157 VanDerWaalsContact OG-O 3.11Å; V155-T157 HydrophobicContact CG1-CG2 4.35Å; T157-A163 VanDerWaalsContact CA-O 3.27Å; T157-A163 WeakPolarHBondContact CA-O 3.48Å; T157-N164 HydrophobicContact CG2-CB 3.9Å; T157-V168 HydrophobicContact CG2-CG1 3.62Å; T157-V168 HydrophobicContact CG2-CG2 4.14Å | ||
| 158 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -132.2 | 108.8 | 166.9 | 166.6 | 0 | 0 | 0 | 0 | 108.2 | D131 K160 T161 R162 A163 | D131-S158 WeakPolarHBondContact CB-OG 3.31Å; D131-S158 VanDerWaalsContact CG-OG 3.25Å; D131-S158 VanDerWaalsContact OD1-CB 3.22Å; D131-S158 WeakPolarHBondContact OD1-CB 3.31Å; D131-S158 PolarHBondContact OD1-OG 2.88Å; S158-K160 PolarHBondContact O-N 3.35Å; S158-K160 PolarHBondContact OG-N 2.94Å; S158-T161 WeakPolarHBondContact CB-OG1 3.43Å; S158-T161 PolarHBondContact O-N 2.95Å; S158-T161 PolarHBondContact OG-N 2.91Å; S158-T161 PolarHBondContact OG-OG1 2.86Å; S158-R162 CarbonylContact O-C 3.57Å; S158-R162 VanDerWaalsContact O-CA 3.26Å; S158-R162 WeakPolarHBondContact O-CA 3.42Å; S158-R162 PolarHBondContact O-N 2.95Å; S158-A163 PolarHBondContact N-O 3.44Å; S158-A163 PolarHBondContact O-N 3.33Å | ||
| 159 | A | 97.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A29 L30 Q33 F39 N128 | A29-A159 HydrophobicContact CB-CB 3.67Å; L30-A159 HydrophobicContact CD2-CB 3.92Å; L30-A159 HydrophobicContact CG-CB 4.2Å; Q33-A159 PolarHBondContact NE2-O 2.84Å; F39-A159 HydrophobicContact CD2-CB 4.23Å; F39-A159 WeakPolarHBondContact CD2-O 3.35Å; F39-A159 HydrophobicContact CE2-CB 4.21Å; N128-A159 PolarHBondContact OD1-N 2.91Å |
| 160 | K | 96.9 | Very high | 98.2 | Very high | 105 Ų | 105 | 40.7 Ų | 40.7 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -46.8 | 179.4 | -177.6 | 168.3 | -175.1 | 152.8 | 0 | 113 | F39 E41 S158 | F39-K160 HydrophobicContact CD1-CB 4.25Å; F39-K160 HydrophobicContact CD1-CG 4.03Å; F39-K160 HydrophobicContact CD2-CB 4.37Å; F39-K160 HydrophobicContact CE1-CB 3.91Å; F39-K160 HydrophobicContact CE1-CD 4.07Å; F39-K160 HydrophobicContact CE1-CG 3.76Å; F39-K160 HydrophobicContact CE2-CB 4.1Å; F39-K160 HydrophobicContact CG-CB 4.45Å; F39-K160 HydrophobicContact CZ-CB 3.86Å; F39-K160 HydrophobicContact CZ-CD 4.47Å; F39-K160 HydrophobicContact CZ-CG 4.2Å; E41-K160 IonicContact OE1-NZ 3.17Å; E41-K160 PolarHBondContact OE1-NZ 2.68Å; S158-K160 PolarHBondContact O-N 3.35Å; S158-K160 PolarHBondContact OG-N 2.94Å |
| 161 | T | 97.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 54% | 0.54 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.9 | -175.9 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | D131 S158 A163 | D131-T161 HydrophobicContact CB-CG2 4.08Å; S158-T161 WeakPolarHBondContact CB-OG1 3.43Å; S158-T161 PolarHBondContact O-N 2.95Å; S158-T161 PolarHBondContact OG-N 2.91Å; S158-T161 PolarHBondContact OG-OG1 2.86Å; T161-A163 PolarHBondContact O-N 3.32Å; T161-A163 WeakPolarHBondContact OG1-CB 3.46Å; T161-A163 PolarHBondContact OG1-N 2.98Å |
| 162 | R | 98 | Very high | 98.3 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | trans | 64 | 8.2 | -170.1 | -154.4 | -165.4 | 177 | 85.3 | -4.8 | 114.4 | Q33 D37 S158 N164 V165 D166 | Q33-R162 HydrophobicContact CG-CB 4.27Å; Q33-R162 HydrophobicContact CG-CG 3.86Å; Q33-R162 PolarHBondContact O-NH1 3.43Å; D37-R162 VanDerWaalsContact CG-NH1 3.32Å; D37-R162 IonicContact OD1-CZ 2.79Å; D37-R162 IonicContact OD1-NH1 3.47Å; D37-R162 PolarHBondContact OD1-NH1 3.34Å; D37-R162 IonicContact OD1-NH2 2.7Å; D37-R162 PolarHBondContact OD1-NH2 3.05Å; S158-R162 CarbonylContact O-C 3.57Å; S158-R162 VanDerWaalsContact O-CA 3.26Å; S158-R162 WeakPolarHBondContact O-CA 3.42Å; S158-R162 PolarHBondContact O-N 2.95Å; R162-N164 PolarHBondContact O-N 3.28Å; R162-N164 VanDerWaalsContact O-N 3.12Å; R162-V165 HydrophobicContact CG-CB 4.1Å; R162-V165 HydrophobicContact CG-CG2 4.31Å; R162-V165 PolarHBondContact O-N 3.26Å; R162-D166 IonicContact CZ-OD1 3.18Å; R162-D166 IonicContact CZ-OD2 2.52Å; R162-D166 IonicContact NE-OD1 2.82Å; R162-D166 IonicContact NE-OD2 2.79Å; R162-D166 PolarHBondContact NE-OD2 3.25Å; R162-D166 IonicContact NH2-OD1 3.77Å; R162-D166 PolarHBondContact NH2-OD1 3.16Å; R162-D166 IonicContact NH2-OD2 3.9Å; R162-D166 PolarHBondContact NH2-OD2 3.17Å | ||
| 163 | A | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 123 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T157 S158 T161 V165 | T157-A163 VanDerWaalsContact CA-O 3.27Å; T157-A163 WeakPolarHBondContact CA-O 3.48Å; S158-A163 PolarHBondContact N-O 3.44Å; S158-A163 PolarHBondContact O-N 3.33Å; T161-A163 PolarHBondContact O-N 3.32Å; T161-A163 WeakPolarHBondContact OG1-CB 3.46Å; T161-A163 PolarHBondContact OG1-N 2.98Å; A163-V165 PolarHBondContact O-N 2.9Å |
| 164 | N | 98.7 | Very high | 98.4 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 12 | 179.9 | -63.4 | -39.2 | 0 | 0 | 0 | 116.6 | V155 E156 T157 R162 K167 V168 | V155-N164 HydrophobicContact CG1-CB 3.84Å; E156-N164 VanDerWaalsContact O-CB 3.27Å; E156-N164 WeakPolarHBondContact O-CB 3.39Å; E156-N164 PolarHBondContact O-ND2 2.82Å; T157-N164 HydrophobicContact CG2-CB 3.9Å; R162-N164 PolarHBondContact O-N 3.28Å; R162-N164 VanDerWaalsContact O-N 3.12Å; N164-K167 HydrophobicContact CB-CB 4.2Å; N164-K167 HydrophobicContact CB-CD 4.4Å; N164-K167 WeakPolarHBondContact O-CB 3.19Å; N164-K167 PolarHBondContact O-N 2.76Å; N164-V168 PolarHBondContact O-N 3.01Å |
| 165 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -53.4 | -179.8 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | L30 Q33 F34 R162 A163 K167 V168 F169 | L30-V165 HydrophobicContact CD2-CG1 4.4Å; L30-V165 HydrophobicContact CD2-CG2 3.73Å; Q33-V165 HydrophobicContact CB-CG1 4.25Å; Q33-V165 HydrophobicContact CG-CB 4.35Å; Q33-V165 HydrophobicContact CG-CG1 3.99Å; Q33-V165 HydrophobicContact CG-CG2 4.06Å; F34-V165 HydrophobicContact CB-CG1 3.94Å; R162-V165 HydrophobicContact CG-CB 4.1Å; R162-V165 HydrophobicContact CG-CG2 4.31Å; R162-V165 PolarHBondContact O-N 3.26Å; A163-V165 PolarHBondContact O-N 2.9Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 2.73Å; V165-V168 WeakPolarHBondContact O-CG2 3.28Å; V165-V168 PolarHBondContact O-N 2.72Å; V165-F169 HydrophobicContact CG1-CD2 4.39Å; V165-F169 HydrophobicContact CG1-CE2 4.16Å; V165-F169 VanDerWaalsContact O-CD2 3.24Å; V165-F169 WeakPolarHBondContact O-CD2 3.21Å |
| 166 | D | 98.3 | Very high | 98.3 | Very high | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.4 | -62.8 | -53.3 | 0 | 0 | 0 | 111 | F34 R162 V168 F169 F170 | F34-D166 WeakPolarHBondContact CD2-OD1 3.45Å; R162-D166 IonicContact CZ-OD1 3.18Å; R162-D166 IonicContact CZ-OD2 2.52Å; R162-D166 IonicContact NE-OD1 2.82Å; R162-D166 IonicContact NE-OD2 2.79Å; R162-D166 PolarHBondContact NE-OD2 3.25Å; R162-D166 IonicContact NH2-OD1 3.77Å; R162-D166 PolarHBondContact NH2-OD1 3.16Å; R162-D166 IonicContact NH2-OD2 3.9Å; R162-D166 PolarHBondContact NH2-OD2 3.17Å; D166-V168 PolarHBondContact O-N 3.41Å; D166-F169 PolarHBondContact O-N 3.39Å; D166-F170 HydrophobicContact CB-CD2 4.08Å; D166-F170 HydrophobicContact CB-CE2 4.27Å; D166-F170 WeakPolarHBondContact O-CD2 3.49Å; D166-F170 PolarHBondContact O-N 2.91Å |
| 167 | K | 98.6 | Very high | 98.1 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.1 | -50.4 | -177.4 | -176.7 | -175.7 | -176 | -57.7 | 0 | 111.9 | V155 N164 V165 F169 F170 D171 | V155-K167 HydrophobicContact CG1-CD 4.18Å; N164-K167 HydrophobicContact CB-CB 4.2Å; N164-K167 HydrophobicContact CB-CD 4.4Å; N164-K167 WeakPolarHBondContact O-CB 3.19Å; N164-K167 PolarHBondContact O-N 2.76Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 2.73Å; K167-F169 PolarHBondContact O-N 3.02Å; K167-F170 PolarHBondContact O-N 3.05Å; K167-D171 VanDerWaalsContact CG-OD2 3.27Å; K167-D171 WeakPolarHBondContact CG-OD2 3.34Å; K167-D171 IonicContact NZ-OD2 3.65Å; K167-D171 PolarHBondContact NZ-OD2 2.91Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.27Å; K167-D171 PolarHBondContact O-N 3.22Å |
| 168 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | -176 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | L90 L124 V126 V155 T157 N164 V165 D166 L172 | L90-V168 HydrophobicContact CD1-CB 4.45Å; L90-V168 HydrophobicContact CD1-CG2 4.12Å; L90-V168 HydrophobicContact CD2-CB 4.17Å; L124-V168 HydrophobicContact CD2-CB 4.28Å; L124-V168 HydrophobicContact CD2-CG1 4.3Å; V126-V168 HydrophobicContact CG1-CG1 4.33Å; V126-V168 HydrophobicContact CG2-CB 4.21Å; V126-V168 HydrophobicContact CG2-CG1 3.93Å; V155-V168 HydrophobicContact CB-CG1 3.7Å; V155-V168 HydrophobicContact CG1-CG1 3.63Å; V155-V168 HydrophobicContact CG2-CG1 4.22Å; T157-V168 HydrophobicContact CG2-CG1 3.62Å; T157-V168 HydrophobicContact CG2-CG2 4.14Å; N164-V168 PolarHBondContact O-N 3.01Å; V165-V168 WeakPolarHBondContact O-CG2 3.28Å; V165-V168 PolarHBondContact O-N 2.72Å; D166-V168 PolarHBondContact O-N 3.41Å; V168-L172 WeakPolarHBondContact O-CB 3.37Å; V168-L172 PolarHBondContact O-N 3.35Å; V168-L172 VanDerWaalsContact O-N 3.12Å |
| 169 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -44.8 | 176.7 | -72.4 | -74.1 | 0 | 0 | 0 | 111.7 | V17 M19 L30 F34 I64 I66 L90 V165 D166 K167 M173 | V17-F169 HydrophobicContact CG1-CD1 4.47Å; V17-F169 HydrophobicContact CG1-CE1 4.46Å; M19-F169 HydrophobicContact CE-CE1 4.44Å; M19-F169 HydrophobicContact CE-CZ 4Å; M19-F169 HydrophobicContact SD-CE1 3.79Å; M19-F169 HydrophobicContact SD-CZ 3.95Å; L30-F169 HydrophobicContact CB-CE2 4.5Å; F34-F169 HydrophobicContact CB-CD2 3.61Å; F34-F169 HydrophobicContact CB-CE2 3.46Å; F34-F169 VanDerWaalsContact CB-CE2 3.46Å; F34-F169 HydrophobicContact CB-CG 4.48Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CD1 4.39Å; F34-F169 HydrophobicContact CD1-CD2 4.03Å; F34-F169 HydrophobicContact CD1-CE2 4.34Å; F34-F169 HydrophobicContact CD1-CG 4.07Å; F34-F169 HydrophobicContact CD2-CB 4.01Å; F34-F169 AromaticContact CD2-CD2 3.56Å; F34-F169 HydrophobicContact CD2-CD2 3.56Å; F34-F169 HydrophobicContact CD2-CE2 4.33Å; F34-F169 AromaticContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CD2-CG 3.98Å; F34-F169 HydrophobicContact CE1-CB 4.32Å; F34-F169 HydrophobicContact CE1-CG 4.28Å; F34-F169 HydrophobicContact CE2-CB 3.76Å; F34-F169 HydrophobicContact CE2-CD2 4.21Å; F34-F169 HydrophobicContact CE2-CG 4.19Å; F34-F169 HydrophobicContact CG-CB 4.38Å; F34-F169 AromaticContact CG-CD2 3.44Å; F34-F169 HydrophobicContact CG-CD2 3.44Å; F34-F169 VanDerWaalsContact CG-CD2 3.44Å; F34-F169 AromaticContact CG-CE2 3.8Å; F34-F169 HydrophobicContact CG-CE2 3.8Å; F34-F169 AromaticContact CG-CG 3.9Å; F34-F169 HydrophobicContact CG-CG 3.9Å; F34-F169 HydrophobicContact CG-CZ 4.5Å; F34-F169 HydrophobicContact CZ-CB 3.92Å; F34-F169 HydrophobicContact CZ-CG 4.32Å; I64-F169 HydrophobicContact CD1-CB 4.39Å; I64-F169 HydrophobicContact CD1-CD1 4.02Å; I66-F169 HydrophobicContact CD1-CD1 3.92Å; I66-F169 HydrophobicContact CD1-CE1 3.59Å; I66-F169 HydrophobicContact CD1-CZ 4.19Å; I66-F169 HydrophobicContact CG1-CD1 4.42Å; I66-F169 HydrophobicContact CG1-CE1 4.13Å; I66-F169 HydrophobicContact CG2-CE1 4.18Å; L90-F169 HydrophobicContact CD1-CD1 3.75Å; L90-F169 HydrophobicContact CD1-CE1 3.59Å; L90-F169 HydrophobicContact CD1-CE2 4.49Å; L90-F169 HydrophobicContact CD1-CG 4.29Å; L90-F169 HydrophobicContact CD1-CZ 3.98Å; V165-F169 HydrophobicContact CG1-CD2 4.39Å; V165-F169 HydrophobicContact CG1-CE2 4.16Å; V165-F169 VanDerWaalsContact O-CD2 3.24Å; V165-F169 WeakPolarHBondContact O-CD2 3.21Å; D166-F169 PolarHBondContact O-N 3.39Å; K167-F169 PolarHBondContact O-N 3.02Å; F169-M173 WeakPolarHBondContact O-CG 3.12Å; F169-M173 PolarHBondContact O-N 2.95Å |
| 170 | F | 98.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 20% | 0.197 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 178.3 | -81.3 | -77.8 | 0 | 0 | 0 | 112.4 | F34 V55 V56 L57 D166 K167 L172 M173 R174 | F34-F170 HydrophobicContact CE2-CD2 4.33Å; F34-F170 AromaticContact CE2-CE2 3.97Å; F34-F170 HydrophobicContact CE2-CE2 3.97Å; V55-F170 HydrophobicContact CB-CE1 4.29Å; V55-F170 HydrophobicContact CB-CZ 4.17Å; V55-F170 HydrophobicContact CG2-CE1 4.35Å; V56-F170 WeakPolarHBondContact O-CE1 3.19Å; L57-F170 HydrophobicContact CD1-CD1 3.65Å; L57-F170 HydrophobicContact CD1-CE1 4.38Å; D166-F170 HydrophobicContact CB-CD2 4.08Å; D166-F170 HydrophobicContact CB-CE2 4.27Å; D166-F170 WeakPolarHBondContact O-CD2 3.49Å; D166-F170 PolarHBondContact O-N 2.91Å; K167-F170 PolarHBondContact O-N 3.05Å; F170-L172 PolarHBondContact O-N 2.7Å; F170-M173 HydrophobicContact CB-CE 4.43Å; F170-M173 HydrophobicContact CD1-CE 3.57Å; F170-M173 HydrophobicContact CE1-CE 3.88Å; F170-M173 HydrophobicContact CG-CE 3.97Å; F170-M173 PolarHBondContact O-N 3.47Å; F170-R174 WeakPolarHBondContact O-CG 3.48Å; F170-R174 PolarHBondContact O-N 2.97Å |
| 171 | D | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.7 | -72.6 | -14 | 0 | 0 | 0 | 111.6 | L124 K167 M173 R174 E175 | L124-D171 HydrophobicContact CD2-CB 4.22Å; K167-D171 VanDerWaalsContact CG-OD2 3.27Å; K167-D171 WeakPolarHBondContact CG-OD2 3.34Å; K167-D171 IonicContact NZ-OD2 3.65Å; K167-D171 PolarHBondContact NZ-OD2 2.91Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.27Å; K167-D171 PolarHBondContact O-N 3.22Å; D171-M173 PolarHBondContact O-N 2.8Å; D171-R174 WeakPolarHBondContact O-CB 3.5Å; D171-R174 PolarHBondContact O-N 3.23Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 IonicContact OD1-CZ 2.85Å; D171-R174 IonicContact OD1-NH1 2.89Å; D171-R174 PolarHBondContact OD1-NH1 3.45Å; D171-E175 PolarHBondContact O-N 2.95Å; D171-E175 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.1 | -177.8 | 64.2 | 0 | 0 | 0 | 111.8 | V17 L90 P122 V168 F170 R174 E175 V176 | V17-L172 HydrophobicContact CB-CD2 4.3Å; V17-L172 HydrophobicContact CG1-CD2 3.61Å; V17-L172 HydrophobicContact CG2-CD2 3.84Å; V17-L172 HydrophobicContact CG2-CG 4.45Å; L90-L172 HydrophobicContact CD2-CB 4.1Å; L90-L172 HydrophobicContact CD2-CD2 3.68Å; L90-L172 HydrophobicContact CD2-CG 4.43Å; L90-L172 HydrophobicContact CG-CD2 3.65Å; P122-L172 HydrophobicContact CB-CD1 3.87Å; V168-L172 WeakPolarHBondContact O-CB 3.37Å; V168-L172 PolarHBondContact O-N 3.35Å; V168-L172 VanDerWaalsContact O-N 3.12Å; F170-L172 PolarHBondContact O-N 2.7Å; L172-R174 PolarHBondContact O-N 3.02Å; L172-E175 WeakPolarHBondContact O-CB 3.42Å; L172-E175 PolarHBondContact O-N 3.43Å; L172-E175 VanDerWaalsContact O-N 3.1Å; L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3.21Å |
| 173 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 174.7 | -76.9 | -171.3 | -70.1 | 0 | 0 | 112.2 | H15 V55 L57 V62 I64 F169 F170 D171 V176 R177 | H15-M173 HydrophobicContact CB-CG 4.08Å; V55-M173 HydrophobicContact CG2-CE 3.92Å; V55-M173 HydrophobicContact CG2-SD 4.02Å; L57-M173 HydrophobicContact CD1-CB 4.14Å; L57-M173 HydrophobicContact CD1-CE 4.38Å; L57-M173 HydrophobicContact CD2-CB 3.87Å; V62-M173 HydrophobicContact CG2-SD 4.4Å; I64-M173 HydrophobicContact CB-SD 3.77Å; I64-M173 HydrophobicContact CD1-CE 4.26Å; I64-M173 HydrophobicContact CD1-CG 4.06Å; I64-M173 HydrophobicContact CD1-SD 3.81Å; I64-M173 HydrophobicContact CG1-CG 4.43Å; I64-M173 HydrophobicContact CG1-SD 4.02Å; F169-M173 WeakPolarHBondContact O-CG 3.12Å; F169-M173 PolarHBondContact O-N 2.95Å; F170-M173 HydrophobicContact CB-CE 4.43Å; F170-M173 HydrophobicContact CD1-CE 3.57Å; F170-M173 HydrophobicContact CE1-CE 3.88Å; F170-M173 HydrophobicContact CG-CE 3.97Å; F170-M173 PolarHBondContact O-N 3.47Å; D171-M173 PolarHBondContact O-N 2.8Å; M173-V176 PolarHBondContact O-N 3.12Å; M173-R177 WeakPolarHBondContact O-CB 3.37Å; M173-R177 PolarHBondContact O-N 3.13Å |
| 174 | R | 98.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 173.7 | -68 | 176.5 | -176.5 | 109.7 | 4.9 | 111.6 | L57 D58 F170 D171 L172 R177 G178 | L57-R174 HydrophobicContact CD1-CG 3.9Å; D58-R174 IonicContact OD1-CZ 3.67Å; D58-R174 IonicContact OD1-NE 3.08Å; D58-R174 PolarHBondContact OD1-NE 2.9Å; D58-R174 VanDerWaalsContact OD1-NE 3.13Å; D58-R174 IonicContact OD1-NH2 3.25Å; D58-R174 PolarHBondContact OD1-NH2 3.47Å; D58-R174 IonicContact OD2-NE 3.85Å; D58-R174 PolarHBondContact OD2-NE 3.46Å; D58-R174 VanDerWaalsContact OD2-NE 3.08Å; F170-R174 WeakPolarHBondContact O-CG 3.48Å; F170-R174 PolarHBondContact O-N 2.97Å; D171-R174 WeakPolarHBondContact O-CB 3.5Å; D171-R174 PolarHBondContact O-N 3.23Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 IonicContact OD1-CZ 2.85Å; D171-R174 IonicContact OD1-NH1 2.89Å; D171-R174 PolarHBondContact OD1-NH1 3.45Å; L172-R174 PolarHBondContact O-N 3.02Å; R174-R177 PolarHBondContact O-N 3.39Å; R174-G178 PolarHBondContact O-N 3.08Å |
| 175 | E | 97.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.8 | -66.5 | -160.5 | 164.4 | 0 | 0 | 112 | P122 L123 D171 L172 R177 G178 K179 | P122-E175 HydrophobicContact CB-CB 3.84Å; P122-E175 HydrophobicContact CG-CB 4.48Å; L123-E175 PolarHBondContact N-OE2 2.97Å; D171-E175 PolarHBondContact O-N 2.95Å; D171-E175 VanDerWaalsContact O-N 3.08Å; L172-E175 WeakPolarHBondContact O-CB 3.42Å; L172-E175 PolarHBondContact O-N 3.43Å; L172-E175 VanDerWaalsContact O-N 3.1Å; E175-R177 PolarHBondContact O-N 3.01Å; E175-G178 PolarHBondContact O-N 3.28Å; E175-K179 PolarHBondContact O-N 3.16Å |
| 176 | V | 97 | Very high | 92.8 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | H15 E87 P122 L172 M173 G178 K179 K180 | H15-V176 WeakPolarHBondContact ND1-CG1 3.41Å; E87-V176 HydrophobicContact CB-CG1 3.77Å; E87-V176 HydrophobicContact CB-CG2 4.36Å; P122-V176 HydrophobicContact CB-CG2 3.8Å; P122-V176 HydrophobicContact CG-CG2 4Å; L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3.21Å; M173-V176 PolarHBondContact O-N 3.12Å; V176-G178 PolarHBondContact O-N 2.67Å; V176-K179 PolarHBondContact O-N 3.38Å; V176-K180 HydrophobicContact CG1-CD 4.36Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.98Å |
| 177 | R | 95.9 | Very high | 91.3 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.5 | -174.2 | 178.8 | 65.9 | -169 | -6.7 | 111.4 | L57 D58 M173 R174 E175 K179 K180 M181 | L57-R177 PolarHBondContact O-NH1 3.05Å; D58-R177 IonicContact OD2-CZ 3.84Å; D58-R177 IonicContact OD2-NH1 3.39Å; D58-R177 IonicContact OD2-NH2 2.88Å; D58-R177 PolarHBondContact OD2-NH2 3.25Å; M173-R177 WeakPolarHBondContact O-CB 3.37Å; M173-R177 PolarHBondContact O-N 3.13Å; R174-R177 PolarHBondContact O-N 3.39Å; E175-R177 PolarHBondContact O-N 3.01Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.2Å; R177-K180 PolarHBondContact O-N 3.09Å; R177-M181 HydrophobicContact CG-CE 3.77Å; R177-M181 HydrophobicContact CG-SD 4.39Å; R177-M181 WeakPolarHBondContact O-CG 3.46Å; R177-M181 PolarHBondContact O-N 3.38Å |
| 178 | G | 94.7 | Very high | 89.5 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R174 E175 V176 M181 S182 | R174-G178 PolarHBondContact O-N 3.08Å; E175-G178 PolarHBondContact O-N 3.28Å; V176-G178 PolarHBondContact O-N 2.67Å; G178-M181 PolarHBondContact O-N 3.05Å; G178-S182 PolarHBondContact O-N 3.3Å; G178-S182 VanDerWaalsContact O-N 3.14Å |
| 179 | K | 94.1 | Very high | 87.4 | Confident | 21 Ų | 21 | 62 Ų | 62 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175.1 | 174.9 | 180 | 173.9 | 173.2 | 0 | 113.1 | E118 K120 P122 E175 V176 R177 M181 S182 E183 | E118-K179 IonicContact OE2-NZ 2.79Å; E118-K179 PolarHBondContact OE2-NZ 3.05Å; K120-K179 VanDerWaalsContact O-CD 3.27Å; K120-K179 WeakPolarHBondContact O-CD 3.44Å; K120-K179 WeakPolarHBondContact O-CE 3.42Å; K120-K179 PolarHBondContact O-NZ 3.27Å; P122-K179 HydrophobicContact CG-CB 4.35Å; P122-K179 HydrophobicContact CG-CD 3.86Å; E175-K179 PolarHBondContact O-N 3.16Å; V176-K179 PolarHBondContact O-N 3.38Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.2Å; K179-M181 PolarHBondContact O-N 2.6Å; K179-S182 PolarHBondContact O-N 3.09Å; K179-S182 VanDerWaalsContact O-N 3.08Å; K179-S182 PolarHBondContact O-OG 3.43Å; K179-E183 WeakPolarHBondContact CE-OE1 3.33Å; K179-E183 PolarHBondContact O-N 3.35Å; K179-E183 VanDerWaalsContact O-N 3.08Å |
| 180 | K | 91.4 | Very high | 85.2 | Confident | 60 Ų | 60 | 71 Ų | 71 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58 | -35.8 | 177.6 | -71.7 | -178.2 | -179.5 | -170.7 | 0 | 111.7 | L14 E87 V176 R177 N184 | L14-K180 PolarHBondContact O-NZ 2.94Å; E87-K180 WeakPolarHBondContact OE1-CE 3.44Å; E87-K180 IonicContact OE1-NZ 2.75Å; E87-K180 PolarHBondContact OE1-NZ 3.3Å; E87-K180 VanDerWaalsContact OE2-CE 3.32Å; E87-K180 WeakPolarHBondContact OE2-CE 3.31Å; E87-K180 IonicContact OE2-NZ 3.67Å; E87-K180 PolarHBondContact OE2-NZ 3.22Å; V176-K180 HydrophobicContact CG1-CD 4.36Å; V176-K180 WeakPolarHBondContact O-CG 3.46Å; V176-K180 PolarHBondContact O-N 2.98Å; R177-K180 PolarHBondContact O-N 3.09Å; K180-N184 PolarHBondContact O-N 3.32Å; K180-N184 PolarHBondContact O-ND2 3.33Å |
| 181 | M | 89.4 | Confident | 82.7 | Confident | 102 Ų | 102 | 72 Ų | 72 | 50% | 0.502 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 176.4 | -71.8 | 180 | 177.1 | 0 | 0 | 113.2 | R177 G178 K179 K185 | R177-M181 HydrophobicContact CG-CE 3.77Å; R177-M181 HydrophobicContact CG-SD 4.39Å; R177-M181 WeakPolarHBondContact O-CG 3.46Å; R177-M181 PolarHBondContact O-N 3.38Å; G178-M181 PolarHBondContact O-N 3.05Å; K179-M181 PolarHBondContact O-N 2.6Å; M181-K185 WeakPolarHBondContact O-CG 3.22Å; M181-K185 PolarHBondContact O-N 3.15Å |
| 182 | S | 87.5 | Confident | 80.1 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | G178 K179 N184 K185 D186 | G178-S182 PolarHBondContact O-N 3.3Å; G178-S182 VanDerWaalsContact O-N 3.14Å; K179-S182 PolarHBondContact O-N 3.09Å; K179-S182 VanDerWaalsContact O-N 3.08Å; K179-S182 PolarHBondContact O-OG 3.43Å; S182-N184 VanDerWaalsContact C-N 3.29Å; S182-N184 PolarHBondContact O-N 3Å; S182-K185 WeakPolarHBondContact O-CB 3.15Å; S182-K185 PolarHBondContact O-N 3.01Å; S182-D186 PolarHBondContact O-N 3.38Å; S182-D186 VanDerWaalsContact O-N 3.14Å |
| 183 | E | 85.3 | Confident | 77.6 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 178.9 | -69 | 175.2 | -172.4 | 0 | 0 | 112.8 | K179 D186 K187 | K179-E183 WeakPolarHBondContact CE-OE1 3.33Å; K179-E183 PolarHBondContact O-N 3.35Å; K179-E183 VanDerWaalsContact O-N 3.08Å; E183-D186 PolarHBondContact O-N 2.84Å; E183-K187 WeakPolarHBondContact O-CG 3.49Å; E183-K187 PolarHBondContact O-N 2.76Å |
| 184 | N | 80.6 | Confident | 75.1 | Confident | 99 Ų | 99 | 98 Ų | 98 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -32.7 | 176.6 | -78.5 | -19.8 | 0 | 0 | 0 | 112.7 | K180 S182 N188 | K180-N184 PolarHBondContact O-N 3.32Å; K180-N184 PolarHBondContact O-ND2 3.33Å; S182-N184 VanDerWaalsContact C-N 3.29Å; S182-N184 PolarHBondContact O-N 3Å; N184-N188 PolarHBondContact O-N 3.17Å |
| 185 | K | 77.5 | Confident | 72.6 | Confident | 158 Ų | 158 | 101.3 Ų | 101.3 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.8 | -41.3 | 175.4 | -74.7 | 177.8 | -179.7 | 177.5 | 0 | 111.4 | M181 S182 K187 N188 G189 | M181-K185 WeakPolarHBondContact O-CG 3.22Å; M181-K185 PolarHBondContact O-N 3.15Å; S182-K185 WeakPolarHBondContact O-CB 3.15Å; S182-K185 PolarHBondContact O-N 3.01Å; K185-K187 VanDerWaalsContact C-N 3.35Å; K185-K187 PolarHBondContact O-N 3.38Å; K185-N188 PolarHBondContact O-N 3.12Å; K185-G189 PolarHBondContact O-N 2.98Å |
| 186 | D | 72.3 | Confident | 70.2 | Confident | 104 Ų | 104 | 109.1 Ų | 109.1 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.7 | -37 | 179.8 | -66.9 | -30.1 | 0 | 0 | 0 | 112.5 | S182 E183 G189 K190 | S182-D186 PolarHBondContact O-N 3.38Å; S182-D186 VanDerWaalsContact O-N 3.14Å; E183-D186 PolarHBondContact O-N 2.84Å; D186-G189 PolarHBondContact O-N 3.36Å; D186-K190 PolarHBondContact O-N 3.42Å |
| 187 | K | 66.6 | Low | 67.4 | Low | 143 Ų | 143 | 116.7 Ų | 116.7 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 173.8 | -71.4 | 172.1 | -175.9 | 169.1 | 0 | 112.1 | E183 K185 | E183-K187 WeakPolarHBondContact O-CG 3.49Å; E183-K187 PolarHBondContact O-N 2.76Å; K185-K187 VanDerWaalsContact C-N 3.35Å; K185-K187 PolarHBondContact O-N 3.38Å |
| 188 | N | 60.6 | Low | 65.1 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.1 | -27.6 | 177.8 | -87.1 | -11.6 | 0 | 0 | 0 | 113.8 | N184 K185 | N184-N188 PolarHBondContact O-N 3.17Å; K185-N188 PolarHBondContact O-N 3.12Å |
| 189 | G | 55 | Low | 62.5 | Low | 50 Ų | 50 | 131.9 Ų | 131.9 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.1 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | K185 D186 G191 | K185-G189 PolarHBondContact O-N 2.98Å; D186-G189 PolarHBondContact O-N 3.36Å; G189-G191 PolarHBondContact O-N 3.28Å |
| 190 | K | 51.9 | Low | 60 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -13.4 | 177.8 | -73.1 | 179.1 | 178.1 | 173.8 | 0 | 114 | D186 | D186-K190 PolarHBondContact O-N 3.42Š|
| 191 | G | 45.3 | Very low | 57.5 | Low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G189 | G189-G191 PolarHBondContact O-N 3.28Š|
| 192 | K | 45 | Very low | 55.4 | Low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -98.9 | -1.4 | -173.9 | -85.8 | -175.6 | 176.5 | 175.7 | 0 | 116.1 | ||
| 193 | H | 46.4 | Very low | 53.3 | Low | 179 Ų | 179 | 150.6 Ų | 150.6 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -113.9 | 36.1 | -176.6 | -102.1 | -50.1 | 0 | 0 | 0 | 115.5 | ||
| 194 | K | 45.8 | Very low | 51.6 | Low | 201 Ų | 201 | 157.4 Ų | 157.4 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -141.6 | 67.1 | 164.3 | -80.7 | -169.3 | 177.6 | 175.8 | 0 | 112.5 | ||
| 195 | N | 44.3 | Very low | 49.3 | Very low | 161 Ų | 161 | 159.1 Ų | 159.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -171.4 | 73.6 | 147.6 | -126.4 | -3.5 | 0 | 0 | 0 | 113.9 | ||||
| 196 | K | 46.9 | Very low | 47.8 | Very low | 207 Ų | 207 | 156.8 Ų | 156.8 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | trans | -148 | 81.4 | 157.2 | -76.9 | -165.6 | -178.8 | 172.6 | 0 | 110.6 | ||||
| 197 | N | 39.4 | Very low | 46.2 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -168.3 | 91.1 | 133 | -110.9 | 2.5 | 0 | 0 | 0 | 111.6 | ||||
| 198 | K | 46.3 | Very low | 44.9 | Very low | 211 Ų | 211 | 164 Ų | 164 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -131 | 102.1 | 149 | -95.4 | -172.7 | 177.8 | 176.4 | 0 | 107.5 | ||||
| 199 | K | 40.3 | Very low | 44.1 | Very low | 197 Ų | 197 | 165.5 Ų | 165.5 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | trans | -142.3 | 99.2 | 152 | -81.4 | -168.3 | 175.8 | -178.3 | 0 | 105.2 | ||||
| 200 | S | 43.1 | Very low | 43.6 | Very low | 110 Ų | 110 | 171.6 Ų | 171.6 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | 64.9 | 91.6 | 95.3 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 201 | F | 38.2 | Very low | 43.1 | Very low | 189 Ų | 189 | 170.7 Ų | 170.7 | 83% | 0.829 | 85% | 0.85 | S | S | * | * | trans | -114.8 | 108 | 154.2 | -149.2 | -94.8 | 0 | 0 | 0 | 107.2 | E203 | F201-E203 HydrophobicContact CE1-CB 4.33Š| ||
| 202 | K | 44.7 | Very low | 43 | Very low | 170 Ų | 170 | 176.9 Ų | 176.9 | 74% | 0.739 | 86% | 0.86 | S | S | * | * | trans | -123.4 | 105.8 | 173.2 | -176.6 | -174.7 | -173.5 | -179.3 | 0 | 104.9 | ||||
| 203 | E | 44 | Very low | 42.9 | Very low | 165 Ų | 165 | 175.8 Ų | 175.8 | 77% | 0.771 | 86% | 0.861 | S | S | * | * | trans | -137.6 | 126.3 | 160.9 | -110.9 | 169.2 | -174.3 | 0 | 0 | 109.6 | F201 | F201-E203 HydrophobicContact CE1-CB 4.33Š| ||
| 204 | R | 48.7 | Very low | 42.6 | Very low | 218 Ų | 218 | 175.6 Ų | 175.6 | 82% | 0.823 | 86% | 0.863 | S | S | * | * | trans | -75.7 | 146.6 | 176.1 | -68.5 | 169.5 | 173.2 | 173.9 | -3.6 | 108 | ||||
| 205 | C | 34.1 | Very low | 42.4 | Very low | 135 Ų | 135 | 173.8 Ų | 173.8 | 91% | 0.912 | 86% | 0.862 | S | S | * | * | trans | -145.2 | 124.1 | 142 | -142.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 206 | C | 44.1 | Very low | 42.2 | Very low | 110 Ų | 110 | 174.8 Ų | 174.8 | 74% | 0.743 | 86% | 0.862 | S | S | * | * | trans | -103.4 | 149 | 170.1 | -86.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | L | 39.3 | Very low | 41.8 | Very low | 159 Ų | 159 | 172.1 Ų | 172.1 | 83% | 0.832 | 86% | 0.859 | S | S | * | * | trans | 66 | 114.3 | 150.6 | -67.7 | 153.9 | 0 | 0 | 0 | 117 | ||||
| 208 | L | 40.1 | Very low | 42.1 | Very low | 240 Ų | 240 | 173.1 Ų | 173.1 | 100% | 1.257 | 86% | 0.859 | S | S | * | * | -156.9 | 0 | 76.1 | -88.8 | 163.8 | 0 | 0 | 0 | 110 |
Retrieved 208 of 208 residues in 1468.3 ms
(Link to these results)