| 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 | 46.5 | Very low | 222 Ų | 222 | 157.3 Ų | 157.3 | 100% | 1.094 | 81% | 0.806 | S | S | * | * | 0 | 83.3 | 0 | -90.6 | -174.1 | -76.7 | 0 | 0 | 107.2 | |||||
| 2 | E | 33.2 | Very low | 47.2 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -90.5 | 111.9 | 167.8 | -77 | -179.7 | 158 | 0 | 0 | 106.8 | Q4 | E2-Q4 PolarHBondContact O-N 2.64Š| ||
| 3 | H | 44.6 | Very low | 48.3 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -78.8 | 91.7 | 173.1 | -74.2 | -85.2 | 0 | 0 | 0 | 108.3 | L5 | H3-L5 PolarHBondContact O-N 3.4Š| ||
| 4 | Q | 48.8 | Very low | 49.4 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -72.2 | 104.5 | 159.8 | -88.2 | -179.4 | -10.2 | 0 | 0 | 108.2 | E2 L6 | E2-Q4 PolarHBondContact O-N 2.64Å; Q4-L6 VanDerWaalsContact C-N 3.35Å; Q4-L6 PolarHBondContact O-N 2.93Å | ||
| 5 | L | 46.6 | Very low | 50.8 | Low | 165 Ų | 165 | 156 Ų | 156 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -67.9 | 94.2 | 165.5 | -75.2 | 159.3 | 0 | 0 | 0 | 108 | H3 C7 | H3-L5 PolarHBondContact O-N 3.4Å; L5-C7 PolarHBondContact O-N 2.95Å | ||
| 6 | L | 49.8 | Very low | 52.1 | Low | 137 Ų | 137 | 152.3 Ų | 152.3 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | -78.1 | 104.5 | 167.6 | -74.8 | 156.1 | 0 | 0 | 0 | 107.8 | Q4 C8 | Q4-L6 VanDerWaalsContact C-N 3.35Å; Q4-L6 PolarHBondContact O-N 2.93Å; L6-C8 PolarHBondContact O-N 3.02Å | ||
| 7 | C | 47.1 | Very low | 53.1 | Low | 126 Ų | 126 | 155.1 Ų | 155.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 82.6 | 162.8 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | L5 | L5-C7 PolarHBondContact O-N 2.95Š| ||
| 8 | C | 45.5 | Very low | 54.1 | Low | 72 Ų | 72 | 153.4 Ų | 153.4 | 49% | 0.486 | 76% | 0.764 | S | S | . | * | trans | -81.7 | 113 | 168.5 | -66.3 | 0 | 0 | 0 | 0 | 108.3 | L6 V10 T12 | L6-C8 PolarHBondContact O-N 3.02Å; C8-V10 PolarHBondContact O-N 3.34Å; C8-V10 VanDerWaalsContact O-N 3.1Å; C8-T12 HydrophobicContact CB-CG2 4.42Å | ||
| 9 | E | 53.3 | Low | 55.3 | Low | 204 Ų | 204 | 148.3 Ų | 148.3 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -68.7 | 6.7 | 170.9 | -68.6 | -177.9 | 155.5 | 0 | 0 | 113.3 | ||
| 10 | V | 51.7 | Low | 56.2 | Low | 110 Ų | 110 | 144.3 Ų | 144.3 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.3 | 128.3 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 106.5 | C8 T12 | C8-V10 PolarHBondContact O-N 3.34Å; C8-V10 VanDerWaalsContact O-N 3.1Å; V10-T12 PolarHBondContact O-N 3.11Å |
| 11 | E | 52.3 | Low | 57.2 | Low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -56.1 | 91.6 | 166.3 | -77.3 | -175.5 | 160.8 | 0 | 0 | 108.1 | I13 | E11-I13 PolarHBondContact O-N 3.03Š| ||
| 12 | T | 55.2 | Low | 58.8 | Low | 90 Ų | 90 | 136.7 Ų | 136.7 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -70.4 | 115.1 | 172.6 | 35.2 | 0 | 0 | 0 | 0 | 105.8 | C8 V10 R14 | C8-T12 HydrophobicContact CB-CG2 4.42Å; V10-T12 PolarHBondContact O-N 3.11Å; T12-R14 PolarHBondContact O-N 3.48Å | ||
| 13 | I | 60.8 | Low | 60.6 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | trans | -52.6 | 111 | 173 | -61.8 | 172 | 0 | 0 | 0 | 106.5 | E11 R15 | E11-I13 PolarHBondContact O-N 3.03Å; I13-R15 HydrophobicContact CG2-CG 4.36Å; I13-R15 PolarHBondContact O-N 2.8Å | ||
| 14 | R | 64 | Low | 62.4 | Low | 235 Ų | 235 | 124.9 Ų | 124.9 | 89% | 0.887 | 64% | 0.644 | S | S | * | * | trans | -72.8 | 97.7 | -178.3 | -72.5 | -173.5 | 179.9 | 179.1 | 1.5 | 108.1 | T12 | T12-R14 PolarHBondContact O-N 3.48Š| ||
| 15 | R | 69.8 | Low | 64.1 | Low | 188 Ų | 188 | 121.7 Ų | 121.7 | 71% | 0.709 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 140.4 | 173 | -65.4 | -171.4 | 173.3 | 134.7 | -1.3 | 110 | I13 E74 | I13-R15 HydrophobicContact CG2-CG 4.36Å; I13-R15 PolarHBondContact O-N 2.8Å; R15-E74 IonicContact NH2-OE2 3.59Å |
| 16 | A | 71.6 | Confident | 66.1 | Low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 17 | Y | 70.6 | Confident | 68 | Low | 199 Ų | 199 | 117.5 Ų | 117.5 | 78% | 0.78 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 153.5 | 171.6 | 60.8 | -92.3 | 0 | 0 | 0 | 110 | D19 | Y17-D19 PolarHBondContact O-N 2.94Å; Y17-D19 VanDerWaalsContact O-N 3.15Å |
| 18 | L | 69.6 | Low | 70 | Confident | 126 Ų | 126 | 112.1 Ų | 112.1 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | trans | -62.6 | 115.8 | 176.1 | -165.9 | 86.2 | 0 | 0 | 0 | 109.7 | A20 L23 | L18-A20 PolarHBondContact O-N 2.93Å; L18-L23 HydrophobicContact CD1-CD1 4.24Å; L18-L23 HydrophobicContact CD2-CD1 3.45Å; L18-L23 VanDerWaalsContact CD2-CD1 3.45Å; L18-L23 HydrophobicContact CG-CD1 3.75Å | ||
| 19 | D | 77.5 | Confident | 72.2 | Confident | 56 Ų | 56 | 113.1 Ų | 113.1 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | trans | -85.4 | 107.3 | 173.7 | -175.9 | -3.6 | 0 | 0 | 0 | 109.5 | Y17 N21 L22 | Y17-D19 PolarHBondContact O-N 2.94Å; Y17-D19 VanDerWaalsContact O-N 3.15Å; D19-N21 PolarHBondContact O-N 2.97Å; D19-N21 VanDerWaalsContact O-N 3.08Å; D19-N21 VanDerWaalsContact OD1-CB 3.27Å; D19-N21 WeakPolarHBondContact OD1-CB 3.24Å; D19-N21 PolarHBondContact OD1-N 3.45Å; D19-N21 PolarHBondContact OD1-ND2 2.94Å; D19-L22 HydrophobicContact CB-CB 4.41Å; D19-L22 HydrophobicContact CB-CD1 3.86Å; D19-L22 HydrophobicContact CB-CG 3.85Å; D19-L22 WeakPolarHBondContact O-CB 3.47Å; D19-L22 PolarHBondContact O-N 2.94Å | ||
| 20 | A | 74.3 | Confident | 74 | Confident | 67 Ų | 67 | 107.5 Ų | 107.5 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -56.2 | -25.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L18 L22 L23 | L18-A20 PolarHBondContact O-N 2.93Å; A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 2.74Å; A20-L23 PolarHBondContact O-N 3.21Å |
| 21 | N | 75.5 | Confident | 75.9 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -69.3 | -25.6 | 176.7 | -61.7 | -60.9 | 0 | 0 | 0 | 112.8 | D19 L23 N24 V27 | D19-N21 PolarHBondContact O-N 2.97Å; D19-N21 VanDerWaalsContact O-N 3.08Å; D19-N21 VanDerWaalsContact OD1-CB 3.27Å; D19-N21 WeakPolarHBondContact OD1-CB 3.24Å; D19-N21 PolarHBondContact OD1-N 3.45Å; D19-N21 PolarHBondContact OD1-ND2 2.94Å; N21-L23 PolarHBondContact O-N 3.23Å; N21-N24 PolarHBondContact O-ND2 2.98Å; N21-N24 VanDerWaalsContact O-ND2 3.1Å; N21-V27 WeakPolarHBondContact O-CG2 3.47Å |
| 22 | L | 72.9 | Confident | 77.9 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -77.1 | -8.6 | 176.2 | -61.1 | -179.1 | 0 | 0 | 0 | 113 | D19 A20 V27 | D19-L22 HydrophobicContact CB-CB 4.41Å; D19-L22 HydrophobicContact CB-CD1 3.86Å; D19-L22 HydrophobicContact CB-CG 3.85Å; D19-L22 WeakPolarHBondContact O-CB 3.47Å; D19-L22 PolarHBondContact O-N 2.94Å; A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 2.74Å; L22-V27 WeakPolarHBondContact O-CB 3.37Å; L22-V27 VanDerWaalsContact O-CG1 3.24Å; L22-V27 WeakPolarHBondContact O-CG1 3.38Å |
| 23 | L | 71.7 | Confident | 79.6 | Confident | 31 Ų | 31 | 98.1 Ų | 98.1 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -102.4 | 9 | -175.2 | -57 | 170.2 | 0 | 0 | 0 | 113.2 | L18 A20 N21 T166 K167 | L18-L23 HydrophobicContact CD1-CD1 4.24Å; L18-L23 HydrophobicContact CD2-CD1 3.45Å; L18-L23 VanDerWaalsContact CD2-CD1 3.45Å; L18-L23 HydrophobicContact CG-CD1 3.75Å; A20-L23 PolarHBondContact O-N 3.21Å; N21-L23 PolarHBondContact O-N 3.23Å; L23-T166 HydrophobicContact CB-CG2 4.34Å; L23-T166 HydrophobicContact CD1-CG2 3.54Å; L23-T166 HydrophobicContact CD2-CG2 4.01Å; L23-T166 HydrophobicContact CG-CG2 4.15Å; L23-K167 WeakPolarHBondContact O-CE 3.19Å; L23-K167 PolarHBondContact O-NZ 3.43Å |
| 24 | N | 82.5 | Confident | 81.1 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 40% | 0.401 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -81.7 | 154.4 | 179.2 | -69.7 | -45 | 0 | 0 | 0 | 112 | N21 R26 V27 L28 | N21-N24 PolarHBondContact O-ND2 2.98Å; N21-N24 VanDerWaalsContact O-ND2 3.1Å; N24-R26 PolarHBondContact O-N 2.9Å; N24-R26 VanDerWaalsContact O-N 3.12Å; N24-V27 WeakPolarHBondContact O-CB 3.45Å; N24-V27 PolarHBondContact O-N 2.73Å; N24-L28 PolarHBondContact O-N 2.78Å |
| 25 | D | 83.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -26.6 | -178.7 | -57.2 | -11.7 | 0 | 0 | 0 | 112.4 | V27 L28 Q29 K167 | D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 3.22Å; D25-L28 PolarHBondContact O-N 3.3Å; D25-Q29 WeakPolarHBondContact O-CG 3.2Å; D25-Q29 PolarHBondContact O-N 3.2Å; D25-K167 IonicContact OD1-NZ 3.61Å; D25-K167 PolarHBondContact OD1-NZ 3.14Å |
| 26 | R | 88.6 | Confident | 83.5 | Confident | 184 Ų | 184 | 82.1 Ų | 82.1 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 171.9 | -176.4 | -178.9 | 67 | 138.3 | 0.8 | 112.1 | N24 Q29 T30 | N24-R26 PolarHBondContact O-N 2.9Å; N24-R26 VanDerWaalsContact O-N 3.12Å; R26-Q29 PolarHBondContact O-N 2.99Å; R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 VanDerWaalsContact O-N 3.13Å; R26-T30 PolarHBondContact O-OG1 3.22Å |
| 27 | V | 89.7 | Confident | 84.3 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72 | -44.3 | -179 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | N21 L22 N24 D25 Q29 T30 M31 | N21-V27 WeakPolarHBondContact O-CG2 3.47Å; L22-V27 WeakPolarHBondContact O-CB 3.37Å; L22-V27 VanDerWaalsContact O-CG1 3.24Å; L22-V27 WeakPolarHBondContact O-CG1 3.38Å; N24-V27 WeakPolarHBondContact O-CB 3.45Å; N24-V27 PolarHBondContact O-N 2.73Å; D25-V27 VanDerWaalsContact C-N 3.29Å; D25-V27 PolarHBondContact O-N 3.22Å; V27-Q29 VanDerWaalsContact C-N 3.3Å; V27-Q29 PolarHBondContact O-N 2.88Å; V27-T30 CarbonylContact O-C 3.54Å; V27-T30 WeakPolarHBondContact O-CA 3.49Å; V27-T30 WeakPolarHBondContact O-CB 3.5Å; V27-T30 PolarHBondContact O-N 2.99Å; V27-M31 HydrophobicContact CG1-CG 4.33Å; V27-M31 HydrophobicContact CG1-SD 4.07Å; V27-M31 VanDerWaalsContact O-CG 3.31Å; V27-M31 WeakPolarHBondContact O-CG 3.4Å; V27-M31 PolarHBondContact O-N 2.91Å |
| 28 | L | 90.1 | Very high | 85.2 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.5 | -45.8 | 171.6 | 178.8 | 65.1 | 0 | 0 | 0 | 112.3 | N24 D25 T30 M31 L32 F160 V236 | N24-L28 PolarHBondContact O-N 2.78Å; D25-L28 PolarHBondContact O-N 3.3Å; L28-T30 PolarHBondContact O-N 2.91Å; L28-M31 WeakPolarHBondContact O-CB 3.41Å; L28-M31 PolarHBondContact O-N 3.36Å; L28-L32 HydrophobicContact CD1-CG 4.39Å; L28-L32 HydrophobicContact CG-CD1 4.22Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 3.18Å; L28-F160 HydrophobicContact CD1-CD1 3.94Å; L28-F160 HydrophobicContact CD1-CE1 3.92Å; L28-V236 HydrophobicContact CD2-CG1 3.41Å; L28-V236 VanDerWaalsContact CD2-CG1 3.41Å |
| 29 | Q | 90.1 | Very high | 86.1 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -29.9 | 175.8 | -71.9 | 179.2 | 12.3 | 0 | 0 | 113.1 | D25 R26 V27 K33 | D25-Q29 WeakPolarHBondContact O-CG 3.2Å; D25-Q29 PolarHBondContact O-N 3.2Å; R26-Q29 PolarHBondContact O-N 2.99Å; V27-Q29 VanDerWaalsContact C-N 3.3Å; V27-Q29 PolarHBondContact O-N 2.88Å; Q29-K33 VanDerWaalsContact O-CG 3.32Å; Q29-K33 WeakPolarHBondContact O-CG 3.01Å; Q29-K33 PolarHBondContact O-N 2.85Å |
| 30 | T | 91.5 | Very high | 86.8 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.7 | -40.6 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | R26 V27 L28 K33 A34 | R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 VanDerWaalsContact O-N 3.13Å; R26-T30 PolarHBondContact O-OG1 3.22Å; V27-T30 CarbonylContact O-C 3.54Å; V27-T30 WeakPolarHBondContact O-CA 3.49Å; V27-T30 WeakPolarHBondContact O-CB 3.5Å; V27-T30 PolarHBondContact O-N 2.99Å; L28-T30 PolarHBondContact O-N 2.91Å; T30-K33 PolarHBondContact O-N 3.41Å; T30-A34 WeakPolarHBondContact O-CB 3.44Å; T30-A34 PolarHBondContact O-N 3.26Å |
| 31 | M | 92.7 | Very high | 87.6 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 173.6 | -64.6 | 164.1 | 70.1 | 0 | 0 | 111.2 | V27 L28 K33 A34 E35 M155 D159 F160 | V27-M31 HydrophobicContact CG1-CG 4.33Å; V27-M31 HydrophobicContact CG1-SD 4.07Å; V27-M31 VanDerWaalsContact O-CG 3.31Å; V27-M31 WeakPolarHBondContact O-CG 3.4Å; V27-M31 PolarHBondContact O-N 2.91Å; L28-M31 WeakPolarHBondContact O-CB 3.41Å; L28-M31 PolarHBondContact O-N 3.36Å; M31-K33 VanDerWaalsContact C-N 3.31Å; M31-K33 PolarHBondContact O-N 3.41Å; M31-A34 WeakPolarHBondContact O-CB 3.47Å; M31-A34 PolarHBondContact O-N 3.32Å; M31-A34 VanDerWaalsContact O-N 3.08Å; M31-E35 PolarHBondContact O-N 3.49Å; M31-M155 HydrophobicContact CB-CE 3.8Å; M31-M155 HydrophobicContact CB-CG 4.48Å; M31-M155 HydrophobicContact CB-SD 4.19Å; M31-M155 HydrophobicContact CE-CE 3.54Å; M31-M155 HydrophobicContact CG-CE 3.56Å; M31-M155 HydrophobicContact CG-SD 4.15Å; M31-M155 WeakPolarHBondContact O-CG 3.32Å; M31-M155 HydrophobicContact SD-CE 4.34Å; M31-D159 HydrophobicContact CE-CB 3.8Å; M31-D159 VanDerWaalsContact CE-O 3.31Å; M31-D159 WeakPolarHBondContact CE-O 3.37Å; M31-F160 HydrophobicContact CB-CE1 3.88Å; M31-F160 HydrophobicContact CB-CZ 3.86Å; M31-F160 HydrophobicContact CE-CD1 4Å; M31-F160 HydrophobicContact CE-CE1 4.14Å; M31-F160 HydrophobicContact CE-CG 4.24Å |
| 32 | L | 93.1 | Very high | 88.3 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | 176.9 | -69.3 | 171.9 | 0 | 0 | 0 | 112.3 | L28 E35 F160 | L28-L32 HydrophobicContact CD1-CG 4.39Å; L28-L32 HydrophobicContact CG-CD1 4.22Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 3.18Å; L32-E35 WeakPolarHBondContact CD2-OE1 3.42Å; L32-E35 WeakPolarHBondContact O-CG 3.35Å; L32-F160 HydrophobicContact CD2-CE1 3.72Å; L32-F160 HydrophobicContact CD2-CZ 4.11Å; L32-F160 HydrophobicContact CG-CE1 4.14Å |
| 33 | K | 92 | Very high | 89.2 | Confident | 140 Ų | 140 | 64.9 Ų | 64.9 | 61% | 0.609 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.6 | -35.2 | 173.3 | -72.5 | 174.8 | -179.4 | -179 | 0 | 112.5 | Q29 T30 M31 | Q29-K33 VanDerWaalsContact O-CG 3.32Å; Q29-K33 WeakPolarHBondContact O-CG 3.01Å; Q29-K33 PolarHBondContact O-N 2.85Å; T30-K33 PolarHBondContact O-N 3.41Å; M31-K33 VanDerWaalsContact C-N 3.31Å; M31-K33 PolarHBondContact O-N 3.41Å |
| 34 | A | 92.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | T30 M31 E36 T37 M155 | T30-A34 WeakPolarHBondContact O-CB 3.44Å; T30-A34 PolarHBondContact O-N 3.26Å; M31-A34 WeakPolarHBondContact O-CB 3.47Å; M31-A34 PolarHBondContact O-N 3.32Å; M31-A34 VanDerWaalsContact O-N 3.08Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.13Å; A34-T37 PolarHBondContact O-N 3.29Å; A34-T37 PolarHBondContact O-OG1 2.99Å; A34-M155 HydrophobicContact CB-CG 3.76Å; A34-M155 HydrophobicContact CB-SD 4.15Å |
| 35 | E | 93.5 | Very high | 90.9 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -34 | 177.4 | 61.9 | 173.6 | -167.4 | 0 | 0 | 113.3 | M31 L32 T37 C38 S39 M155 F160 P200 S201 | M31-E35 PolarHBondContact O-N 3.49Å; L32-E35 WeakPolarHBondContact CD2-OE1 3.42Å; L32-E35 WeakPolarHBondContact O-CG 3.35Å; E35-T37 PolarHBondContact O-N 3.17Å; E35-C38 CarbonylContact O-C 3.56Å; E35-C38 PolarHBondContact O-N 3.32Å; E35-C38 VanDerWaalsContact O-N 3.13Å; E35-S39 PolarHBondContact O-N 2.92Å; E35-S39 PolarHBondContact O-OG 3.22Å; E35-M155 HydrophobicContact CB-CB 4.14Å; E35-M155 HydrophobicContact CB-CG 4.37Å; E35-F160 HydrophobicContact CG-CZ 4.45Å; E35-F160 WeakPolarHBondContact OE2-CE2 3.33Å; E35-F160 WeakPolarHBondContact OE2-CZ 3.37Å; E35-P200 HydrophobicContact CB-CG 4.25Å; E35-P200 WeakPolarHBondContact OE2-CD 3.32Å; E35-S201 VanDerWaalsContact CD-OG 3.29Å; E35-S201 WeakPolarHBondContact OE1-CB 3.34Å; E35-S201 PolarHBondContact OE1-OG 3.43Å; E35-S201 VanDerWaalsContact OE2-CB 3.25Å; E35-S201 WeakPolarHBondContact OE2-CB 3.27Å; E35-S201 PolarHBondContact OE2-N 3.38Å; E35-S201 PolarHBondContact OE2-OG 3.36Å |
| 36 | E | 89.4 | Confident | 91.4 | Very high | 142 Ų | 142 | 66.1 Ų | 66.1 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.1 | -35.4 | 176.1 | -67.4 | 175.9 | -173.7 | 0 | 0 | 111.6 | A34 C38 | A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.13Å; E36-C38 VanDerWaalsContact C-N 3.26Å; E36-C38 PolarHBondContact O-N 3.28Å |
| 37 | T | 89.9 | Confident | 91.7 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -73.1 | -18.9 | -179.4 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | A34 E35 | A34-T37 PolarHBondContact O-N 3.29Å; A34-T37 PolarHBondContact O-OG1 2.99Å; E35-T37 PolarHBondContact O-N 3.17Å |
| 38 | C | 88.5 | Confident | 92 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.027 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 20.7 | -175.9 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | E35 E36 N83 R87 N151 A154 | E35-C38 CarbonylContact O-C 3.56Å; E35-C38 PolarHBondContact O-N 3.32Å; E35-C38 VanDerWaalsContact O-N 3.13Å; E36-C38 VanDerWaalsContact C-N 3.26Å; E36-C38 PolarHBondContact O-N 3.28Å; C38-N83 PolarHBondContact O-ND2 2.81Å; C38-R87 WeakPolarHBondContact O-CD 3.48Å; C38-N151 PolarHBondContact SG-ND2 2.8Å; C38-A154 HydrophobicContact CB-CB 3.7Å |
| 39 | S | 89.8 | Confident | 92.3 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 129.2 | 179.3 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | E35 | E35-S39 PolarHBondContact O-N 2.92Å; E35-S39 PolarHBondContact O-OG 3.22Å |
| 40 | P | 91.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 164.2 | 173.5 | 32.2 | -35.2 | 0 | 0 | 0 | 112 | D86 R87 I196 | P40-D86 HydrophobicContact CB-CB 3.71Å; P40-D86 HydrophobicContact CG-CB 3.98Å; P40-R87 HydrophobicContact CB-CG 4.3Å; P40-I196 HydrophobicContact CB-CG2 4.37Å; P40-I196 HydrophobicContact CG-CG2 3.86Å |
| 41 | S | 91.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 118.9 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | S43 Y44 S90 | S41-S43 PolarHBondContact O-N 3.23Å; S41-Y44 WeakPolarHBondContact O-CD1 3.49Å; S41-Y44 PolarHBondContact O-N 3.16Å; S41-Y44 VanDerWaalsContact O-N 3.16Å; S41-S90 PolarHBondContact N-OG 3.27Å |
| 42 | V | 89.3 | Confident | 93 | Very high | 95 Ų | 95 | 65.5 Ų | 65.5 | 58% | 0.576 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.1 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 113 | ||
| 43 | S | 92.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 19 | -176 | 66 | 0 | 0 | 0 | 0 | 114.1 | S41 F45 K46 C47 | S41-S43 PolarHBondContact O-N 3.23Å; S43-F45 PolarHBondContact O-N 2.84Å; S43-K46 PolarHBondContact O-N 3.23Å; S43-C47 WeakPolarHBondContact O-CB 3.32Å; S43-C47 PolarHBondContact O-N 3.48Å; S43-C47 PolarHBondContact OG-SG 3.04Å; S43-C47 VanDerWaalsContact OG-SG 3.4Å |
| 44 | Y | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -31.6 | -176.2 | 72.4 | -116.8 | 0 | 0 | 0 | 113.3 | S41 K46 V48 Q49 R57 D86 L89 S90 I196 | S41-Y44 WeakPolarHBondContact O-CD1 3.49Å; S41-Y44 PolarHBondContact O-N 3.16Å; S41-Y44 VanDerWaalsContact O-N 3.16Å; Y44-K46 PolarHBondContact O-N 3.44Å; Y44-V48 WeakPolarHBondContact O-CB 3.29Å; Y44-V48 PolarHBondContact O-N 2.76Å; Y44-Q49 HydrophobicContact CD2-CG 3.82Å; Y44-Q49 HydrophobicContact CE2-CG 4.37Å; Y44-Q49 PolarHBondContact O-N 2.94Å; Y44-R57 WeakPolarHBondContact OH-CD 3.21Å; Y44-D86 HydrophobicContact CE1-CB 4.07Å; Y44-D86 PolarHBondContact OH-OD1 2.9Å; Y44-L89 HydrophobicContact CD2-CB 3.87Å; Y44-L89 HydrophobicContact CE2-CB 3.79Å; Y44-L89 HydrophobicContact CE2-CD1 3.91Å; Y44-L89 HydrophobicContact CG-CB 4.34Å; Y44-S90 WeakPolarHBondContact CD1-OG 3.47Å; Y44-I196 HydrophobicContact CE1-CD1 4.03Å; Y44-I196 HydrophobicContact CE1-CG2 4.07Å |
| 45 | F | 94.5 | Very high | 93.5 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.2 | -30.3 | 175.5 | -74.6 | -69.9 | 0 | 0 | 0 | 113.3 | S43 I52 L53 P54 R57 V193 I196 | S43-F45 PolarHBondContact O-N 2.84Å; F45-I52 WeakPolarHBondContact CD1-O 3.33Å; F45-I52 HydrophobicContact CE1-CG2 4.14Å; F45-L53 VanDerWaalsContact CE1-C 3.48Å; F45-P54 HydrophobicContact CD1-CG 4.2Å; F45-P54 HydrophobicContact CD2-CG 4.25Å; F45-P54 HydrophobicContact CE1-CG 4.24Å; F45-P54 HydrophobicContact CE2-CG 4.29Å; F45-P54 HydrophobicContact CG-CG 4.2Å; F45-P54 HydrophobicContact CZ-CB 4.43Å; F45-P54 HydrophobicContact CZ-CG 4.29Å; F45-R57 HydrophobicContact CZ-CB 3.94Å; F45-R57 HydrophobicContact CZ-CG 4.45Å; F45-V193 HydrophobicContact CE2-CG1 4.02Å; F45-V193 HydrophobicContact CZ-CG1 4.28Å; F45-I196 HydrophobicContact CE2-CD1 3.95Å |
| 46 | K | 93.4 | Very high | 93.7 | Very high | 189 Ų | 189 | 70 Ų | 70 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -93.5 | -38.3 | -179.2 | -175.4 | 179.9 | 178.4 | -177.7 | 0 | 111.9 | S43 Y44 | S43-K46 PolarHBondContact O-N 3.23Å; Y44-K46 PolarHBondContact O-N 3.44Å |
| 47 | C | 95.2 | Very high | 94 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -95.8 | -26.3 | -168.1 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | S43 | S43-C47 WeakPolarHBondContact O-CB 3.32Å; S43-C47 PolarHBondContact O-N 3.48Å; S43-C47 PolarHBondContact OG-SG 3.04Å; S43-C47 VanDerWaalsContact OG-SG 3.4Å |
| 48 | V | 96.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 62 Ų | 62 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -52.1 | -171.1 | -175.9 | 0 | 0 | 0 | 0 | 111 | Y44 L89 | Y44-V48 WeakPolarHBondContact O-CB 3.29Å; Y44-V48 PolarHBondContact O-N 2.76Å; V48-L89 WeakPolarHBondContact CG1-O 3.47Å |
| 49 | Q | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | trans | -77.5 | 136.3 | -175.8 | -58.1 | -54.4 | -42 | 0 | 0 | 111.6 | Y44 I52 L89 E92 | Y44-Q49 HydrophobicContact CD2-CG 3.82Å; Y44-Q49 HydrophobicContact CE2-CG 4.37Å; Y44-Q49 PolarHBondContact O-N 2.94Å; Q49-I52 HydrophobicContact CB-CB 4.09Å; Q49-I52 HydrophobicContact CG-CB 4.18Å; Q49-I52 HydrophobicContact CG-CG1 4.5Å; Q49-L89 HydrophobicContact CG-CB 4.46Å; Q49-L89 PolarHBondContact NE2-O 3.45Å; Q49-E92 PolarHBondContact NE2-O 3.16Å | ||
| 50 | K | 95.5 | Very high | 95 | Very high | 190 Ų | 190 | 65.1 Ų | 65.1 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -108.8 | -35.7 | 177.5 | -61.7 | -178.9 | -177.8 | 178 | 0 | 112.6 | ||
| 51 | E | 96.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -108 | -29 | -177.9 | -66.3 | -177 | -159.9 | 0 | 0 | 113.2 | K95 K96 | E51-K95 WeakPolarHBondContact OE2-CA 3.2Å; E51-K96 HydrophobicContact CB-CB 4.44Å; E51-K96 PolarHBondContact OE2-N 3.29Å |
| 52 | I | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | trans | -79.1 | 125.2 | -175.9 | -48.6 | -55.3 | 0 | 0 | 0 | 109.4 | F45 Q49 L89 L94 K96 L99 | F45-I52 WeakPolarHBondContact CD1-O 3.33Å; F45-I52 HydrophobicContact CE1-CG2 4.14Å; Q49-I52 HydrophobicContact CB-CB 4.09Å; Q49-I52 HydrophobicContact CG-CB 4.18Å; Q49-I52 HydrophobicContact CG-CG1 4.5Å; I52-L89 HydrophobicContact CG1-CD2 4.49Å; I52-L94 HydrophobicContact CD1-CB 4.49Å; I52-L94 HydrophobicContact CG1-CB 4.24Å; I52-L94 WeakPolarHBondContact CG1-O 3.46Å; I52-K96 HydrophobicContact CD1-CB 4.21Å; I52-L99 HydrophobicContact CD1-CB 4.28Å; I52-L99 HydrophobicContact CD1-CD1 4.28Å; I52-L99 HydrophobicContact CD1-CD2 4.4Å; I52-L99 HydrophobicContact CG2-CD1 4.19Å; I52-L99 HydrophobicContact CG2-CD2 4.11Å | ||
| 53 | L | 96.3 | Very high | 96 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | trans | -111.9 | 156.3 | 178.5 | -65.8 | 173 | 0 | 0 | 0 | 111 | F45 Y55 M56 R57 | F45-L53 VanDerWaalsContact CE1-C 3.48Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 HydrophobicContact CB-CD1 3.72Å; L53-Y55 HydrophobicContact CB-CE1 3.64Å; L53-Y55 HydrophobicContact CD1-CD1 4.37Å; L53-Y55 HydrophobicContact CD1-CE1 3.61Å; L53-Y55 HydrophobicContact CG-CE1 4.26Å; L53-Y55 PolarHBondContact O-N 3.26Å; L53-Y55 VanDerWaalsContact O-N 3.16Å; L53-M56 HydrophobicContact CB-CG 4.38Å; L53-M56 HydrophobicContact CD1-CE 4.4Å; L53-M56 WeakPolarHBondContact O-CB 3.43Å; L53-M56 PolarHBondContact O-N 3.47Å; L53-R57 PolarHBondContact O-N 2.95Å | ||
| 54 | P | 95.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -48.6 | -42.3 | 179.9 | -35 | 39.6 | 0 | 0 | 0 | 115 | F45 M56 R57 K58 V193 | F45-P54 HydrophobicContact CD1-CG 4.2Å; F45-P54 HydrophobicContact CD2-CG 4.25Å; F45-P54 HydrophobicContact CE1-CG 4.24Å; F45-P54 HydrophobicContact CE2-CG 4.29Å; F45-P54 HydrophobicContact CG-CG 4.2Å; F45-P54 HydrophobicContact CZ-CB 4.43Å; F45-P54 HydrophobicContact CZ-CG 4.29Å; P54-M56 VanDerWaalsContact C-N 3.32Å; P54-M56 PolarHBondContact O-N 2.89Å; P54-R57 WeakPolarHBondContact O-CB 3.06Å; P54-R57 PolarHBondContact O-N 2.9Å; P54-K58 PolarHBondContact O-N 3.16Å; P54-V193 HydrophobicContact CB-CG1 3.92Å; P54-V193 HydrophobicContact CB-CG2 4.42Å |
| 55 | Y | 95.1 | Very high | 96.4 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 179.5 | 80.2 | -91.5 | 0 | 0 | 0 | 112.6 | L53 K58 M59 | L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 HydrophobicContact CB-CD1 3.72Å; L53-Y55 HydrophobicContact CB-CE1 3.64Å; L53-Y55 HydrophobicContact CD1-CD1 4.37Å; L53-Y55 HydrophobicContact CD1-CE1 3.61Å; L53-Y55 HydrophobicContact CG-CE1 4.26Å; L53-Y55 PolarHBondContact O-N 3.26Å; L53-Y55 VanDerWaalsContact O-N 3.16Å; Y55-K58 PolarHBondContact O-N 3.07Å; Y55-M59 HydrophobicContact CD2-CE 4.4Å; Y55-M59 HydrophobicContact CE2-CE 4.23Å; Y55-M59 WeakPolarHBondContact O-CG 3.33Å; Y55-M59 PolarHBondContact O-N 3.3Å |
| 56 | M | 96.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -39 | 176.9 | -59.6 | -179.9 | 179 | 0 | 0 | 110.8 | L53 P54 K58 M59 V60 K96 L99 | L53-M56 HydrophobicContact CB-CG 4.38Å; L53-M56 HydrophobicContact CD1-CE 4.4Å; L53-M56 WeakPolarHBondContact O-CB 3.43Å; L53-M56 PolarHBondContact O-N 3.47Å; P54-M56 VanDerWaalsContact C-N 3.32Å; P54-M56 PolarHBondContact O-N 2.89Å; M56-K58 VanDerWaalsContact C-N 3.35Å; M56-M59 PolarHBondContact O-N 3.49Å; M56-V60 PolarHBondContact O-N 3.01Å; M56-V60 VanDerWaalsContact O-N 3.07Å; M56-K96 HydrophobicContact CE-CB 4.46Å; M56-K96 HydrophobicContact CE-CD 4.43Å; M56-K96 HydrophobicContact SD-CB 4.09Å; M56-L99 HydrophobicContact CB-CD2 3.82Å |
| 57 | R | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 171 | -176.2 | -153.8 | 177.1 | -98.2 | 4.2 | 110.3 | Y44 F45 L53 P54 M59 V60 A61 M82 L85 D86 A190 T191 | Y44-R57 WeakPolarHBondContact OH-CD 3.21Å; F45-R57 HydrophobicContact CZ-CB 3.94Å; F45-R57 HydrophobicContact CZ-CG 4.45Å; L53-R57 PolarHBondContact O-N 2.95Å; P54-R57 WeakPolarHBondContact O-CB 3.06Å; P54-R57 PolarHBondContact O-N 2.9Å; R57-M59 PolarHBondContact O-N 3.37Å; R57-V60 PolarHBondContact O-N 3.14Å; R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.34Å; R57-A61 PolarHBondContact O-N 3.24Å; R57-M82 HydrophobicContact CG-CE 4.4Å; R57-M82 VanDerWaalsContact NH2-CE 3.27Å; R57-L85 HydrophobicContact CG-CD2 4.08Å; R57-D86 IonicContact CZ-OD1 3.71Å; R57-D86 IonicContact CZ-OD2 2.81Å; R57-D86 IonicContact NE-OD1 2.74Å; R57-D86 PolarHBondContact NE-OD1 2.98Å; R57-D86 IonicContact NE-OD2 3.55Å; R57-D86 IonicContact NH2-OD1 3.91Å; R57-D86 IonicContact NH2-OD2 3.61Å; R57-D86 PolarHBondContact NH2-OD2 3.5Å; R57-A190 PolarHBondContact NH1-O 3.38Å; R57-A190 PolarHBondContact NH2-O 2.7Å; R57-T191 PolarHBondContact NH1-O 2.94Å; R57-T191 VanDerWaalsContact NH1-O 3.15Å |
| 58 | K | 95.6 | Very high | 96.9 | Very high | 61 Ų | 61 | 50 Ų | 50 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 177 | -174.5 | 176.2 | 177.8 | 179.9 | 0 | 111.5 | P54 Y55 M56 V60 A61 T62 | P54-K58 PolarHBondContact O-N 3.16Å; Y55-K58 PolarHBondContact O-N 3.07Å; M56-K58 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 2.88Å; K58-A61 PolarHBondContact O-N 3.08Å; K58-T62 PolarHBondContact O-N 3.47Å; K58-T62 PolarHBondContact O-OG1 2.61Å; K58-T62 VanDerWaalsContact O-OG1 3.1Å |
| 59 | M | 96.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 58% | 0.581 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.3 | -46.4 | 178.1 | -67.8 | -163.7 | -48 | 0 | 0 | 112.6 | Y55 M56 R57 T62 W63 | Y55-M59 HydrophobicContact CD2-CE 4.4Å; Y55-M59 HydrophobicContact CE2-CE 4.23Å; Y55-M59 WeakPolarHBondContact O-CG 3.33Å; Y55-M59 PolarHBondContact O-N 3.3Å; M56-M59 PolarHBondContact O-N 3.49Å; R57-M59 PolarHBondContact O-N 3.37Å; M59-T62 PolarHBondContact O-N 3.26Å; M59-W63 PolarHBondContact O-N 2.95Å |
| 60 | V | 97.7 | Very high | 96.8 | Very high | 17 Ų | 17 | 60 Ų | 60 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | M56 R57 K58 W63 M64 L85 L99 | M56-V60 PolarHBondContact O-N 3.01Å; M56-V60 VanDerWaalsContact O-N 3.07Å; R57-V60 PolarHBondContact O-N 3.14Å; K58-V60 PolarHBondContact O-N 2.88Å; V60-W63 HydrophobicContact CG1-CE3 4.3Å; V60-W63 PolarHBondContact O-N 3.26Å; V60-M64 HydrophobicContact CG1-CG 4.27Å; V60-M64 HydrophobicContact CG1-SD 3.78Å; V60-M64 WeakPolarHBondContact O-CB 3.45Å; V60-M64 WeakPolarHBondContact O-CG 3.5Å; V60-M64 PolarHBondContact O-N 2.91Å; V60-L85 HydrophobicContact CG1-CD1 4.11Å; V60-L99 HydrophobicContact CB-CD2 4.3Å; V60-L99 HydrophobicContact CB-CG 4.34Å; V60-L99 HydrophobicContact CG2-CB 4.44Å; V60-L99 HydrophobicContact CG2-CD2 3.74Å; V60-L99 HydrophobicContact CG2-CG 3.82Å |
| 61 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R57 K58 M64 L65 F78 M82 T191 | R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.34Å; R57-A61 PolarHBondContact O-N 3.24Å; K58-A61 PolarHBondContact O-N 3.08Å; A61-M64 PolarHBondContact O-N 2.98Å; A61-L65 WeakPolarHBondContact O-CB 3.35Å; A61-L65 PolarHBondContact O-N 3.19Å; A61-F78 VanDerWaalsContact O-CE2 3.22Å; A61-F78 WeakPolarHBondContact O-CE2 3.39Å; A61-M82 HydrophobicContact CB-CE 3.59Å; A61-M82 HydrophobicContact CB-SD 3.66Å; A61-T191 HydrophobicContact CB-CG2 4.29Å |
| 62 | T | 96.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | K58 M59 M64 L65 E66 | K58-T62 PolarHBondContact O-N 3.47Å; K58-T62 PolarHBondContact O-OG1 2.61Å; K58-T62 VanDerWaalsContact O-OG1 3.1Å; M59-T62 PolarHBondContact O-N 3.26Å; T62-M64 VanDerWaalsContact C-N 3.35Å; T62-M64 PolarHBondContact O-N 2.83Å; T62-L65 WeakPolarHBondContact O-CB 3.38Å; T62-L65 PolarHBondContact O-N 2.81Å; T62-L65 VanDerWaalsContact O-N 3.16Å; T62-E66 WeakPolarHBondContact CG2-OE1 3.49Å; T62-E66 WeakPolarHBondContact O-CG 3.43Å; T62-E66 PolarHBondContact O-N 2.88Å |
| 63 | W | 97.9 | Very high | 96.7 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 174.4 | 166.9 | 76.5 | 0 | 0 | 0 | 112.4 | M59 V60 L65 E66 V67 Q100 A104 M107 Y127 T128 | M59-W63 PolarHBondContact O-N 2.95Å; V60-W63 HydrophobicContact CG1-CE3 4.3Å; V60-W63 PolarHBondContact O-N 3.26Å; W63-L65 VanDerWaalsContact C-N 3.3Å; W63-L65 PolarHBondContact O-N 2.76Å; W63-E66 PolarHBondContact O-N 3.38Å; W63-V67 HydrophobicContact CD2-CG2 4.39Å; W63-V67 HydrophobicContact CZ2-CG2 4.06Å; W63-V67 VanDerWaalsContact O-CG2 3.31Å; W63-V67 WeakPolarHBondContact O-CG2 3.33Å; W63-V67 PolarHBondContact O-N 3.29Å; W63-Q100 HydrophobicContact CE3-CG 4.32Å; W63-Q100 HydrophobicContact CH2-CG 4.12Å; W63-Q100 HydrophobicContact CZ2-CG 4.35Å; W63-Q100 HydrophobicContact CZ3-CG 4.1Å; W63-A104 HydrophobicContact CH2-CB 3.93Å; W63-M107 HydrophobicContact CE3-CE 4.22Å; W63-M107 HydrophobicContact CH2-CE 3.33Å; W63-M107 HydrophobicContact CZ2-CE 4.03Å; W63-M107 HydrophobicContact CZ3-CE 3.45Å; W63-M107 VanDerWaalsContact CZ3-CE 3.45Å; W63-Y127 PolarHBondContact NE1-O 2.89Å; W63-T128 HydrophobicContact CH2-CG2 3.9Å; W63-T128 HydrophobicContact CZ2-CG2 3.59Å |
| 64 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.4 | -74.9 | 166.9 | 63.7 | 0 | 0 | 112.1 | V60 A61 T62 C68 F78 A81 M82 L85 C106 M107 | V60-M64 HydrophobicContact CG1-CG 4.27Å; V60-M64 HydrophobicContact CG1-SD 3.78Å; V60-M64 WeakPolarHBondContact O-CB 3.45Å; V60-M64 WeakPolarHBondContact O-CG 3.5Å; V60-M64 PolarHBondContact O-N 2.91Å; A61-M64 PolarHBondContact O-N 2.98Å; T62-M64 VanDerWaalsContact C-N 3.35Å; T62-M64 PolarHBondContact O-N 2.83Å; M64-C68 PolarHBondContact O-N 2.66Å; M64-C68 PolarHBondContact O-SG 2.97Å; M64-F78 HydrophobicContact CB-CD2 4.02Å; M64-F78 HydrophobicContact CB-CE2 3.85Å; M64-A81 HydrophobicContact CE-CB 3.49Å; M64-A81 VanDerWaalsContact CE-CB 3.49Å; M64-M82 HydrophobicContact CE-CG 4.41Å; M64-M82 HydrophobicContact CE-SD 3.72Å; M64-M82 HydrophobicContact SD-SD 3.88Å; M64-L85 HydrophobicContact SD-CD1 3.84Å; M64-C106 HydrophobicContact CE-CB 4.34Å; M64-M107 VanDerWaalsContact CA-SD 3.6Å; M64-M107 HydrophobicContact CB-CE 4.3Å; M64-M107 HydrophobicContact CB-CG 4.28Å; M64-M107 HydrophobicContact CB-SD 3.68Å; M64-M107 HydrophobicContact CE-CG 3.88Å; M64-M107 HydrophobicContact CG-CE 3.83Å; M64-M107 HydrophobicContact CG-CG 4.05Å; M64-M107 HydrophobicContact CG-SD 3.76Å |
| 65 | L | 97.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.3 | 177.6 | 59.6 | 0 | 0 | 0 | 110.9 | A61 T62 W63 V67 C68 E69 F78 A187 T191 | A61-L65 WeakPolarHBondContact O-CB 3.35Å; A61-L65 PolarHBondContact O-N 3.19Å; T62-L65 WeakPolarHBondContact O-CB 3.38Å; T62-L65 PolarHBondContact O-N 2.81Å; T62-L65 VanDerWaalsContact O-N 3.16Å; W63-L65 VanDerWaalsContact C-N 3.3Å; W63-L65 PolarHBondContact O-N 2.76Å; L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.19Å; L65-C68 PolarHBondContact O-N 3.14Å; L65-C68 VanDerWaalsContact O-N 3.1Å; L65-E69 HydrophobicContact CD1-CG 4.13Å; L65-E69 HydrophobicContact CG-CG 4.45Å; L65-E69 WeakPolarHBondContact O-CG 3.49Å; L65-E69 PolarHBondContact O-N 3.27Å; L65-F78 HydrophobicContact CB-CD1 4.49Å; L65-F78 HydrophobicContact CB-CD2 4.2Å; L65-F78 HydrophobicContact CB-CE1 4.14Å; L65-F78 HydrophobicContact CB-CE2 3.87Å; L65-F78 HydrophobicContact CB-CZ 3.83Å; L65-F78 HydrophobicContact CD1-CD1 3.79Å; L65-F78 HydrophobicContact CD1-CE1 3.98Å; L65-F78 HydrophobicContact CD1-CG 4.14Å; L65-F78 HydrophobicContact CD2-CE1 4.49Å; L65-F78 HydrophobicContact CG-CE1 4.44Å; L65-A187 HydrophobicContact CD1-CB 4.02Å; L65-A187 HydrophobicContact CD2-CB 4.36Å; L65-T191 HydrophobicContact CD2-CG2 4.36Å |
| 66 | E | 97.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 177.8 | -69.6 | 165.1 | 178.6 | 0 | 0 | 111.7 | T62 W63 C68 E69 E70 | T62-E66 WeakPolarHBondContact CG2-OE1 3.49Å; T62-E66 WeakPolarHBondContact O-CG 3.43Å; T62-E66 PolarHBondContact O-N 2.88Å; W63-E66 PolarHBondContact O-N 3.38Å; E66-C68 PolarHBondContact O-N 2.88Å; E66-E69 PolarHBondContact O-N 2.96Å; E66-E70 WeakPolarHBondContact O-CB 3.38Å; E66-E70 PolarHBondContact O-N 3.29Å |
| 67 | V | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | W63 L65 E70 Q71 M107 L124 Y127 | W63-V67 HydrophobicContact CD2-CG2 4.39Å; W63-V67 HydrophobicContact CZ2-CG2 4.06Å; W63-V67 VanDerWaalsContact O-CG2 3.31Å; W63-V67 WeakPolarHBondContact O-CG2 3.33Å; W63-V67 PolarHBondContact O-N 3.29Å; L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.19Å; V67-E70 PolarHBondContact O-N 3.12Å; V67-Q71 WeakPolarHBondContact O-CB 3.3Å; V67-Q71 PolarHBondContact O-N 3.49Å; V67-M107 HydrophobicContact CB-CE 4.19Å; V67-M107 HydrophobicContact CB-SD 4.11Å; V67-M107 HydrophobicContact CG1-CE 4.06Å; V67-M107 HydrophobicContact CG1-SD 4.09Å; V67-M107 HydrophobicContact CG2-CE 4.43Å; V67-L124 HydrophobicContact CG1-CD2 4.34Å; V67-Y127 HydrophobicContact CB-CG 4.43Å; V67-Y127 HydrophobicContact CG1-CD1 4.35Å; V67-Y127 HydrophobicContact CG1-CD2 3.7Å; V67-Y127 HydrophobicContact CG1-CE2 4.02Å; V67-Y127 HydrophobicContact CG1-CG 3.89Å; V67-Y127 HydrophobicContact CG2-CD1 3.71Å; V67-Y127 HydrophobicContact CG2-CD2 4.41Å; V67-Y127 HydrophobicContact CG2-CE1 4.39Å; V67-Y127 HydrophobicContact CG2-CG 3.74Å |
| 68 | C | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.4 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | M64 L65 E66 K72 C73 F78 | M64-C68 PolarHBondContact O-N 2.66Å; M64-C68 PolarHBondContact O-SG 2.97Å; L65-C68 PolarHBondContact O-N 3.14Å; L65-C68 VanDerWaalsContact O-N 3.1Å; E66-C68 PolarHBondContact O-N 2.88Å; C68-K72 PolarHBondContact O-N 2.65Å; C68-C73 HydrophobicContact CB-CB 4.14Å; C68-C73 PolarHBondContact O-N 3.38Å; C68-F78 HydrophobicContact CB-CB 4.24Å |
| 69 | E | 95.6 | Very high | 96.6 | Very high | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.5 | -44.2 | 176.6 | -72.4 | -178.6 | 156.7 | 0 | 0 | 111.7 | L65 E66 Q71 K72 | L65-E69 HydrophobicContact CD1-CG 4.13Å; L65-E69 HydrophobicContact CG-CG 4.45Å; L65-E69 WeakPolarHBondContact O-CG 3.49Å; L65-E69 PolarHBondContact O-N 3.27Å; E66-E69 PolarHBondContact O-N 2.96Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.04Å; E69-K72 PolarHBondContact O-N 3.05Å; E69-K72 VanDerWaalsContact O-N 3.1Å |
| 70 | E | 96.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.7 | -37.9 | 179.4 | -164.2 | -176.2 | 133.8 | 0 | 0 | 112 | E66 V67 K72 Y127 | E66-E70 WeakPolarHBondContact O-CB 3.38Å; E66-E70 PolarHBondContact O-N 3.29Å; V67-E70 PolarHBondContact O-N 3.12Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-Y127 WeakPolarHBondContact CG-OH 3.34Å; E70-Y127 WeakPolarHBondContact OE1-CE1 3.47Å; E70-Y127 PolarHBondContact OE1-OH 3.07Å; E70-Y127 WeakPolarHBondContact OE2-CE1 3.49Å |
| 71 | Q | 95.6 | Very high | 96.7 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -4.2 | 174.5 | -69.8 | -57.2 | -67.1 | 0 | 0 | 114.2 | V67 E69 C73 L119 K123 Y127 | V67-Q71 WeakPolarHBondContact O-CB 3.3Å; V67-Q71 PolarHBondContact O-N 3.49Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.04Å; Q71-C73 PolarHBondContact O-N 3.22Å; Q71-L119 HydrophobicContact CB-CD2 3.8Å; Q71-L119 HydrophobicContact CG-CD2 3.75Å; Q71-K123 VanDerWaalsContact CD-CD 3.48Å; Q71-K123 HydrophobicContact CG-CD 4.25Å; Q71-Y127 HydrophobicContact CG-CE2 3.71Å; Q71-Y127 PolarHBondContact NE2-OH 3.19Å |
| 72 | K | 95.3 | Very high | 96.7 | Very high | 185 Ų | 185 | 45.5 Ų | 45.5 | 80% | 0.804 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.9 | -176.9 | -54.4 | 177.6 | -178.3 | 177.1 | 0 | 111.6 | C68 E69 E70 | C68-K72 PolarHBondContact O-N 2.65Å; E69-K72 PolarHBondContact O-N 3.05Å; E69-K72 VanDerWaalsContact O-N 3.1Å; E70-K72 VanDerWaalsContact C-N 3.27Å |
| 73 | C | 95.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | trans | -59.6 | 156.4 | 177.1 | -73.4 | 0 | 0 | 0 | 0 | 111 | C68 Q71 V77 E115 | C68-C73 HydrophobicContact CB-CB 4.14Å; C68-C73 PolarHBondContact O-N 3.38Å; Q71-C73 PolarHBondContact O-N 3.22Å; C73-V77 HydrophobicContact CB-CB 4.06Å; C73-V77 HydrophobicContact CB-CG1 4.31Å; C73-V77 HydrophobicContact CB-CG2 4.1Å; C73-E115 WeakPolarHBondContact CA-OE1 3.32Å; C73-E115 PolarHBondContact SG-OE2 3.29Å; C73-E115 VanDerWaalsContact SG-OE2 3.41Å | ||
| 74 | E | 94.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | trans | -58 | 141.7 | 168.8 | -65 | -71.5 | 175.8 | 0 | 0 | 110.2 | R15 E76 V77 E115 | R15-E74 IonicContact NH2-OE2 3.59Å; E74-E76 PolarHBondContact O-N 3.01Å; E74-V77 HydrophobicContact CB-CG2 4.26Å; E74-V77 WeakPolarHBondContact O-CB 3.42Å; E74-V77 VanDerWaalsContact O-CG2 3.32Å; E74-V77 WeakPolarHBondContact O-CG2 3.25Å; E74-V77 PolarHBondContact O-N 3.24Å; E74-E115 HydrophobicContact CB-CG 4.41Å; E74-E115 HydrophobicContact CG-CG 4.26Å | ||
| 75 | E | 92.6 | Very high | 96.7 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.6 | -169.3 | -60.8 | -72.7 | 166.7 | 0 | 0 | 112.6 | P79 H158 | E75-P79 WeakPolarHBondContact O-CD 3.37Å; E75-H158 PolarHBondContact O-CE1 3.27Å |
| 76 | E | 94.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19.2 | 176.5 | -59.1 | 116.2 | 92.5 | 0 | 0 | 115.1 | E74 F78 L80 K114 T156 H158 | E74-E76 PolarHBondContact O-N 3.01Å; E76-F78 PolarHBondContact O-N 3.44Å; E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 PolarHBondContact O-N 2.94Å; E76-K114 HydrophobicContact CB-CD 3.89Å; E76-K114 HydrophobicContact CB-CG 3.99Å; E76-K114 HydrophobicContact CG-CD 4.49Å; E76-K114 IonicContact OE1-NZ 2.76Å; E76-K114 PolarHBondContact OE1-NZ 2.91Å; E76-T156 HydrophobicContact CB-CG2 4.37Å; E76-H158 HydrophobicContact CG-CB 3.56Å |
| 77 | V | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | -174.6 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | C73 E74 L80 A81 A110 K114 E115 | C73-V77 HydrophobicContact CB-CB 4.06Å; C73-V77 HydrophobicContact CB-CG1 4.31Å; C73-V77 HydrophobicContact CB-CG2 4.1Å; E74-V77 HydrophobicContact CB-CG2 4.26Å; E74-V77 WeakPolarHBondContact O-CB 3.42Å; E74-V77 VanDerWaalsContact O-CG2 3.32Å; E74-V77 WeakPolarHBondContact O-CG2 3.25Å; E74-V77 PolarHBondContact O-N 3.24Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-A81 VanDerWaalsContact O-CB 3.29Å; V77-A81 WeakPolarHBondContact O-CB 3.36Å; V77-A81 PolarHBondContact O-N 3.45Å; V77-A110 HydrophobicContact CG1-CB 4.12Å; V77-A110 WeakPolarHBondContact O-CB 3.48Å; V77-K114 HydrophobicContact CG2-CB 3.94Å; V77-E115 HydrophobicContact CG2-CG 3.57Å |
| 78 | F | 98.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.6 | -52.3 | -176.4 | 170.4 | -112.1 | 0 | 0 | 0 | 113.1 | A61 M64 L65 C68 E76 L80 A81 M82 A187 A190 T191 | A61-F78 VanDerWaalsContact O-CE2 3.22Å; A61-F78 WeakPolarHBondContact O-CE2 3.39Å; M64-F78 HydrophobicContact CB-CD2 4.02Å; M64-F78 HydrophobicContact CB-CE2 3.85Å; L65-F78 HydrophobicContact CB-CD1 4.49Å; L65-F78 HydrophobicContact CB-CD2 4.2Å; L65-F78 HydrophobicContact CB-CE1 4.14Å; L65-F78 HydrophobicContact CB-CE2 3.87Å; L65-F78 HydrophobicContact CB-CZ 3.83Å; L65-F78 HydrophobicContact CD1-CD1 3.79Å; L65-F78 HydrophobicContact CD1-CE1 3.98Å; L65-F78 HydrophobicContact CD1-CG 4.14Å; L65-F78 HydrophobicContact CD2-CE1 4.49Å; L65-F78 HydrophobicContact CG-CE1 4.44Å; C68-F78 HydrophobicContact CB-CB 4.24Å; E76-F78 PolarHBondContact O-N 3.44Å; F78-L80 VanDerWaalsContact C-N 3.27Å; F78-L80 PolarHBondContact O-N 3.29Å; F78-A81 PolarHBondContact O-N 3.23Å; F78-M82 HydrophobicContact CD2-CG 4.16Å; F78-M82 HydrophobicContact CE1-CG 4.44Å; F78-M82 HydrophobicContact CE2-CG 3.61Å; F78-M82 HydrophobicContact CE2-SD 3.99Å; F78-M82 HydrophobicContact CZ-CG 3.78Å; F78-M82 HydrophobicContact CZ-SD 4.38Å; F78-M82 PolarHBondContact O-N 3.49Å; F78-A187 HydrophobicContact CD1-CB 4.29Å; F78-A187 HydrophobicContact CE1-CB 4.26Å; F78-A190 HydrophobicContact CD1-CB 4.39Å; F78-A190 HydrophobicContact CE1-CB 3.66Å; F78-A190 HydrophobicContact CZ-CB 4.1Å; F78-T191 HydrophobicContact CE1-CG2 4.45Å; F78-T191 HydrophobicContact CZ-CG2 4.01Å |
| 79 | P | 97.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -34.9 | 177.1 | -25.6 | 36.4 | 0 | 0 | 0 | 113.3 | E75 M82 N83 V186 | E75-P79 WeakPolarHBondContact O-CD 3.37Å; P79-M82 PolarHBondContact O-N 3.43Å; P79-N83 PolarHBondContact O-N 3.2Å; P79-V186 HydrophobicContact CB-CG1 4.27Å; P79-V186 HydrophobicContact CG-CG1 3.69Å |
| 80 | L | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 175.8 | -176.3 | 59.8 | 0 | 0 | 0 | 111.5 | E76 V77 F78 M82 N83 Y84 A110 M113 K114 A154 T156 | E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 PolarHBondContact O-N 2.94Å; V77-L80 PolarHBondContact O-N 2.94Å; F78-L80 VanDerWaalsContact C-N 3.27Å; F78-L80 PolarHBondContact O-N 3.29Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 2.95Å; L80-N83 WeakPolarHBondContact O-CB 3.07Å; L80-N83 PolarHBondContact O-N 3.25Å; L80-Y84 HydrophobicContact CD1-CD1 4.47Å; L80-Y84 HydrophobicContact CD1-CE1 3.68Å; L80-Y84 HydrophobicContact CD1-CE2 4.41Å; L80-Y84 HydrophobicContact CD2-CE2 4.4Å; L80-Y84 WeakPolarHBondContact CD2-OH 3.41Å; L80-Y84 HydrophobicContact CG-CE1 4.09Å; L80-Y84 HydrophobicContact CG-CE2 3.9Å; L80-Y84 PolarHBondContact O-N 2.84Å; L80-A110 HydrophobicContact CB-CB 4.1Å; L80-A110 HydrophobicContact CD2-CB 4.12Å; L80-A110 HydrophobicContact CG-CB 4.04Å; L80-M113 HydrophobicContact CD2-CB 4.06Å; L80-K114 HydrophobicContact CD2-CG 3.7Å; L80-A154 HydrophobicContact CD1-CB 3.9Å; L80-T156 HydrophobicContact CB-CG2 4.05Å; L80-T156 HydrophobicContact CD1-CG2 4.31Å |
| 81 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M64 V77 F78 Y84 L85 C106 M107 A110 | M64-A81 HydrophobicContact CE-CB 3.49Å; M64-A81 VanDerWaalsContact CE-CB 3.49Å; V77-A81 VanDerWaalsContact O-CB 3.29Å; V77-A81 WeakPolarHBondContact O-CB 3.36Å; V77-A81 PolarHBondContact O-N 3.45Å; F78-A81 PolarHBondContact O-N 3.23Å; A81-Y84 PolarHBondContact O-N 2.68Å; A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 PolarHBondContact O-N 3.4Å; A81-C106 HydrophobicContact CB-CB 4.04Å; A81-C106 WeakPolarHBondContact O-CB 3.38Å; A81-M107 HydrophobicContact CB-CG 4.08Å; A81-A110 HydrophobicContact CB-CB 3.86Å |
| 82 | M | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.02 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 174 | -71.3 | -53.7 | -58.1 | 0 | 0 | 112.4 | R57 A61 M64 F78 P79 L80 Y84 L85 D86 A190 | R57-M82 HydrophobicContact CG-CE 4.4Å; R57-M82 VanDerWaalsContact NH2-CE 3.27Å; A61-M82 HydrophobicContact CB-CE 3.59Å; A61-M82 HydrophobicContact CB-SD 3.66Å; M64-M82 HydrophobicContact CE-CG 4.41Å; M64-M82 HydrophobicContact CE-SD 3.72Å; M64-M82 HydrophobicContact SD-SD 3.88Å; F78-M82 HydrophobicContact CD2-CG 4.16Å; F78-M82 HydrophobicContact CE1-CG 4.44Å; F78-M82 HydrophobicContact CE2-CG 3.61Å; F78-M82 HydrophobicContact CE2-SD 3.99Å; F78-M82 HydrophobicContact CZ-CG 3.78Å; F78-M82 HydrophobicContact CZ-SD 4.38Å; F78-M82 PolarHBondContact O-N 3.49Å; P79-M82 PolarHBondContact O-N 3.43Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 2.95Å; M82-Y84 VanDerWaalsContact C-N 3.33Å; M82-Y84 PolarHBondContact O-N 2.98Å; M82-L85 HydrophobicContact CE-CD2 4.22Å; M82-L85 PolarHBondContact O-N 3.24Å; M82-D86 PolarHBondContact O-N 3.28Å; M82-A190 HydrophobicContact CB-CB 4.35Å; M82-A190 HydrophobicContact CG-CB 4.13Å |
| 83 | N | 97.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 172.1 | -179.5 | -95.3 | 0 | 0 | 0 | 111.6 | C38 P79 L80 R87 A154 | C38-N83 PolarHBondContact O-ND2 2.81Å; P79-N83 PolarHBondContact O-N 3.2Å; L80-N83 WeakPolarHBondContact O-CB 3.07Å; L80-N83 PolarHBondContact O-N 3.25Å; N83-R87 WeakPolarHBondContact O-CB 3.09Å; N83-R87 WeakPolarHBondContact O-CD 3.35Å; N83-R87 WeakPolarHBondContact O-CG 3.29Å; N83-R87 PolarHBondContact O-N 2.89Å; N83-R87 WeakPolarHBondContact OD1-CD 3.43Å; N83-R87 PolarHBondContact OD1-NH1 3.26Å; N83-A154 WeakPolarHBondContact OD1-CB 3.45Å |
| 84 | Y | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.4 | -61.5 | -22.6 | 0 | 0 | 0 | 112.5 | L80 A81 M82 R87 F88 V109 A110 L148 L152 | L80-Y84 HydrophobicContact CD1-CD1 4.47Å; L80-Y84 HydrophobicContact CD1-CE1 3.68Å; L80-Y84 HydrophobicContact CD1-CE2 4.41Å; L80-Y84 HydrophobicContact CD2-CE2 4.4Å; L80-Y84 WeakPolarHBondContact CD2-OH 3.41Å; L80-Y84 HydrophobicContact CG-CE1 4.09Å; L80-Y84 HydrophobicContact CG-CE2 3.9Å; L80-Y84 PolarHBondContact O-N 2.84Å; A81-Y84 PolarHBondContact O-N 2.68Å; M82-Y84 VanDerWaalsContact C-N 3.33Å; M82-Y84 PolarHBondContact O-N 2.98Å; Y84-R87 PolarHBondContact O-N 2.87Å; Y84-F88 VanDerWaalsContact O-CB 3.29Å; Y84-F88 WeakPolarHBondContact O-CB 3.42Å; Y84-F88 PolarHBondContact O-N 2.69Å; Y84-V109 HydrophobicContact CD2-CB 4.35Å; Y84-V109 HydrophobicContact CD2-CG1 4.28Å; Y84-V109 HydrophobicContact CE2-CB 4.09Å; Y84-V109 HydrophobicContact CE2-CG1 3.7Å; Y84-A110 HydrophobicContact CD2-CB 4.32Å; Y84-A110 HydrophobicContact CE2-CB 3.9Å; Y84-L148 HydrophobicContact CD1-CD1 3.76Å; Y84-L148 HydrophobicContact CG-CD1 4.08Å; Y84-L152 HydrophobicContact CE1-CB 4.42Å; Y84-L152 HydrophobicContact CE1-CD2 4.12Å; Y84-L152 PolarHBondContact OH-O 3.45Å |
| 85 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -52.5 | 178.6 | -176.9 | 149.6 | 0 | 0 | 0 | 110.6 | R57 V60 M64 A81 M82 R87 F88 L89 L102 C106 | R57-L85 HydrophobicContact CG-CD2 4.08Å; V60-L85 HydrophobicContact CG1-CD1 4.11Å; M64-L85 HydrophobicContact SD-CD1 3.84Å; A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 PolarHBondContact O-N 3.4Å; M82-L85 HydrophobicContact CE-CD2 4.22Å; M82-L85 PolarHBondContact O-N 3.24Å; L85-R87 PolarHBondContact O-N 3.08Å; L85-F88 PolarHBondContact O-N 2.99Å; L85-L89 HydrophobicContact CD2-CD1 3.55Å; L85-L89 HydrophobicContact CD2-CG 4.35Å; L85-L89 HydrophobicContact CG-CD1 4.32Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 3.49Å; L85-L102 HydrophobicContact CG-CD2 4.34Å; L85-C106 PolarHBondContact N-SG 2.91Å; L85-C106 VanDerWaalsContact N-SG 3.45Å |
| 86 | D | 97.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | -177.7 | -72.2 | -42.8 | 0 | 0 | 0 | 112.5 | P40 Y44 R57 M82 L89 S90 | P40-D86 HydrophobicContact CB-CB 3.71Å; P40-D86 HydrophobicContact CG-CB 3.98Å; Y44-D86 HydrophobicContact CE1-CB 4.07Å; Y44-D86 PolarHBondContact OH-OD1 2.9Å; R57-D86 IonicContact CZ-OD1 3.71Å; R57-D86 IonicContact CZ-OD2 2.81Å; R57-D86 IonicContact NE-OD1 2.74Å; R57-D86 PolarHBondContact NE-OD1 2.98Å; R57-D86 IonicContact NE-OD2 3.55Å; R57-D86 IonicContact NH2-OD1 3.91Å; R57-D86 IonicContact NH2-OD2 3.61Å; R57-D86 PolarHBondContact NH2-OD2 3.5Å; M82-D86 PolarHBondContact O-N 3.28Å; D86-L89 PolarHBondContact O-N 3.25Å; D86-S90 WeakPolarHBondContact O-CB 3.42Å; D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 3.3Å |
| 87 | R | 97 | Very high | 97.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 174.9 | -73.3 | 168.3 | 65.4 | -162.2 | -4.2 | 111.8 | C38 P40 N83 Y84 L85 S90 L91 L148 N151 | C38-R87 WeakPolarHBondContact O-CD 3.48Å; P40-R87 HydrophobicContact CB-CG 4.3Å; N83-R87 WeakPolarHBondContact O-CB 3.09Å; N83-R87 WeakPolarHBondContact O-CD 3.35Å; N83-R87 WeakPolarHBondContact O-CG 3.29Å; N83-R87 PolarHBondContact O-N 2.89Å; N83-R87 WeakPolarHBondContact OD1-CD 3.43Å; N83-R87 PolarHBondContact OD1-NH1 3.26Å; Y84-R87 PolarHBondContact O-N 2.87Å; L85-R87 PolarHBondContact O-N 3.08Å; R87-S90 WeakPolarHBondContact O-CB 3.39Å; R87-S90 PolarHBondContact O-N 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.2Å; R87-L91 PolarHBondContact O-N 3.07Å; R87-L148 HydrophobicContact CB-CD2 3.59Å; R87-N151 PolarHBondContact NH1-O 3.29Å; R87-N151 PolarHBondContact NH2-O 2.5Å |
| 88 | F | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.7 | -173.1 | -85 | 0 | 0 | 0 | 111.2 | Y84 L85 S90 L91 E92 L94 L102 M140 L143 L144 K147 | Y84-F88 VanDerWaalsContact O-CB 3.29Å; Y84-F88 WeakPolarHBondContact O-CB 3.42Å; Y84-F88 PolarHBondContact O-N 2.69Å; L85-F88 PolarHBondContact O-N 2.99Å; F88-S90 PolarHBondContact O-N 2.81Å; F88-L91 PolarHBondContact O-N 3.38Å; F88-E92 HydrophobicContact CD1-CB 4.38Å; F88-E92 HydrophobicContact CE1-CB 3.81Å; F88-E92 HydrophobicContact CE2-CG 4.44Å; F88-E92 HydrophobicContact CZ-CB 3.93Å; F88-E92 HydrophobicContact CZ-CG 4.17Å; F88-E92 PolarHBondContact O-N 3.2Å; F88-L94 HydrophobicContact CE1-CD1 4.2Å; F88-L102 HydrophobicContact CB-CD1 4.15Å; F88-L102 HydrophobicContact CB-CD2 4.32Å; F88-L102 HydrophobicContact CD1-CD1 3.78Å; F88-L102 HydrophobicContact CD1-CD2 3.55Å; F88-L102 HydrophobicContact CD1-CG 4.35Å; F88-L102 HydrophobicContact CD2-CD1 4.3Å; F88-L102 HydrophobicContact CE1-CD1 4.27Å; F88-L102 HydrophobicContact CE1-CD2 4.23Å; F88-L102 HydrophobicContact CG-CD1 3.79Å; F88-L102 HydrophobicContact CG-CD2 4.18Å; F88-M140 HydrophobicContact CE1-CE 3.88Å; F88-M140 HydrophobicContact CE2-CE 4.15Å; F88-M140 HydrophobicContact CZ-CE 3.6Å; F88-L143 HydrophobicContact CE2-CD2 4.42Å; F88-L143 HydrophobicContact CE2-CG 4.11Å; F88-L143 HydrophobicContact CZ-CD2 4.07Å; F88-L143 HydrophobicContact CZ-CG 4.25Å; F88-L144 HydrophobicContact CB-CD1 3.85Å; F88-L144 HydrophobicContact CD2-CD1 3.59Å; F88-L144 HydrophobicContact CE2-CD1 4.5Å; F88-L144 HydrophobicContact CG-CD1 4.01Å; F88-K147 HydrophobicContact CD2-CB 4.16Å; F88-K147 HydrophobicContact CE2-CB 4.09Å; F88-K147 HydrophobicContact CE2-CG 3.98Å |
| 89 | L | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -20.8 | 176.4 | -66.3 | 179.6 | 0 | 0 | 0 | 113 | Y44 V48 Q49 I52 L85 D86 L91 L94 L99 L102 | Y44-L89 HydrophobicContact CD2-CB 3.87Å; Y44-L89 HydrophobicContact CE2-CB 3.79Å; Y44-L89 HydrophobicContact CE2-CD1 3.91Å; Y44-L89 HydrophobicContact CG-CB 4.34Å; V48-L89 WeakPolarHBondContact CG1-O 3.47Å; Q49-L89 HydrophobicContact CG-CB 4.46Å; Q49-L89 PolarHBondContact NE2-O 3.45Å; I52-L89 HydrophobicContact CG1-CD2 4.49Å; L85-L89 HydrophobicContact CD2-CD1 3.55Å; L85-L89 HydrophobicContact CD2-CG 4.35Å; L85-L89 HydrophobicContact CG-CD1 4.32Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 3.49Å; D86-L89 PolarHBondContact O-N 3.25Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-L94 HydrophobicContact CD2-CB 3.95Å; L89-L94 HydrophobicContact CD2-CD2 4.08Å; L89-L99 HydrophobicContact CD1-CD1 4.32Å; L89-L99 HydrophobicContact CD2-CD1 4.37Å; L89-L102 HydrophobicContact CD2-CD2 3.95Å; L89-L102 HydrophobicContact CG-CD2 4.17Å |
| 90 | S | 96.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.4 | 172 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | S41 Y44 D86 R87 F88 | S41-S90 PolarHBondContact N-OG 3.27Å; Y44-S90 WeakPolarHBondContact CD1-OG 3.47Å; D86-S90 WeakPolarHBondContact O-CB 3.42Å; D86-S90 PolarHBondContact O-N 2.82Å; D86-S90 PolarHBondContact O-OG 3.3Å; R87-S90 WeakPolarHBondContact O-CB 3.39Å; R87-S90 PolarHBondContact O-N 3.25Å; F88-S90 PolarHBondContact O-N 2.81Å |
| 91 | L | 96.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -39.5 | -173.9 | -63.6 | 172.5 | 0 | 0 | 0 | 112.5 | R87 F88 L89 K147 L148 | R87-L91 WeakPolarHBondContact O-CG 3.2Å; R87-L91 PolarHBondContact O-N 3.07Å; F88-L91 PolarHBondContact O-N 3.38Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L91-K147 WeakPolarHBondContact CD1-O 3.2Å; L91-L148 HydrophobicContact CD1-CD2 4.41Å |
| 92 | E | 96.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -125.8 | 129.6 | -169.7 | -67.9 | -65.8 | 141.4 | 0 | 0 | 112 | Q49 F88 L94 K147 | Q49-E92 PolarHBondContact NE2-O 3.16Å; F88-E92 HydrophobicContact CD1-CB 4.38Å; F88-E92 HydrophobicContact CE1-CB 3.81Å; F88-E92 HydrophobicContact CE2-CG 4.44Å; F88-E92 HydrophobicContact CZ-CB 3.93Å; F88-E92 HydrophobicContact CZ-CG 4.17Å; F88-E92 PolarHBondContact O-N 3.2Å; E92-L94 PolarHBondContact O-N 3.42Å; E92-K147 VanDerWaalsContact CD-CE 3.45Å; E92-K147 VanDerWaalsContact CD-NZ 3.28Å; E92-K147 HydrophobicContact CG-CD 3.76Å; E92-K147 HydrophobicContact CG-CG 4.09Å; E92-K147 WeakPolarHBondContact OE1-CD 3.46Å; E92-K147 WeakPolarHBondContact OE1-CE 3.47Å; E92-K147 IonicContact OE1-NZ 2.64Å; E92-K147 PolarHBondContact OE1-NZ 3.1Å; E92-K147 IonicContact OE2-NZ 3.65Å |
| 93 | P | 96.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 53% | 0.526 | 21% | 0.207 | S | C | . | . | trans | -67.2 | 129.4 | 171.7 | 28.3 | -32.8 | 0 | 0 | 0 | 110.3 | ||||
| 94 | L | 97.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | trans | -115.4 | 143.7 | -179 | -164.8 | 74.5 | 0 | 0 | 0 | 111.2 | I52 F88 L89 E92 R98 L99 L102 M140 | I52-L94 HydrophobicContact CD1-CB 4.49Å; I52-L94 HydrophobicContact CG1-CB 4.24Å; I52-L94 WeakPolarHBondContact CG1-O 3.46Å; F88-L94 HydrophobicContact CE1-CD1 4.2Å; L89-L94 HydrophobicContact CD2-CB 3.95Å; L89-L94 HydrophobicContact CD2-CD2 4.08Å; E92-L94 PolarHBondContact O-N 3.42Å; L94-R98 HydrophobicContact CD1-CB 3.88Å; L94-R98 HydrophobicContact CD2-CB 4.49Å; L94-R98 HydrophobicContact CG-CB 4.13Å; L94-L99 HydrophobicContact CD2-CB 4.27Å; L94-L99 HydrophobicContact CD2-CD1 3.85Å; L94-L102 HydrophobicContact CD2-CB 3.97Å; L94-L102 HydrophobicContact CD2-CD2 3.72Å; L94-M140 HydrophobicContact CD1-CE 4.41Å | ||
| 95 | K | 97.3 | Very high | 97.5 | Very high | 128 Ų | 128 | 40 Ų | 40 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | trans | -75.9 | 144.8 | 169 | -66.7 | -174.5 | 176.8 | -177.6 | 0 | 110.2 | E51 S97 R98 | E51-K95 WeakPolarHBondContact OE2-CA 3.2Å; K95-S97 PolarHBondContact O-N 2.93Å; K95-S97 VanDerWaalsContact O-N 3.14Å; K95-R98 PolarHBondContact O-N 3.44Å | ||
| 96 | K | 95.4 | Very high | 97.5 | Very high | 132 Ų | 132 | 40 Ų | 40 | 57% | 0.574 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -55.8 | -34.8 | 179.4 | 67.6 | -176.7 | -178.9 | 177.4 | 0 | 113.5 | E51 I52 M56 R98 L99 | E51-K96 HydrophobicContact CB-CB 4.44Å; E51-K96 PolarHBondContact OE2-N 3.29Å; I52-K96 HydrophobicContact CD1-CB 4.21Å; M56-K96 HydrophobicContact CE-CB 4.46Å; M56-K96 HydrophobicContact CE-CD 4.43Å; M56-K96 HydrophobicContact SD-CB 4.09Å; K96-R98 PolarHBondContact O-N 2.88Å; K96-L99 WeakPolarHBondContact O-CB 3.38Å; K96-L99 PolarHBondContact O-N 3.13Å |
| 97 | S | 95.7 | Very high | 97.6 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 68% | 0.678 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -68.3 | -17.1 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | K95 | K95-S97 PolarHBondContact O-N 2.93Å; K95-S97 VanDerWaalsContact O-N 3.14Å |
| 98 | R | 97.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -101.7 | 1.5 | 179.4 | -58.9 | -165.3 | 78.3 | -174.4 | 3.8 | 113.1 | L94 K95 K96 L101 L102 | L94-R98 HydrophobicContact CD1-CB 3.88Å; L94-R98 HydrophobicContact CD2-CB 4.49Å; L94-R98 HydrophobicContact CG-CB 4.13Å; K95-R98 PolarHBondContact O-N 3.44Å; K96-R98 PolarHBondContact O-N 2.88Å; R98-L101 PolarHBondContact O-N 3.48Å; R98-L102 PolarHBondContact O-N 3Å |
| 99 | L | 97.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | -176.8 | -170.2 | 66.7 | 0 | 0 | 0 | 112 | I52 M56 V60 L89 L94 K96 L102 G103 | I52-L99 HydrophobicContact CD1-CB 4.28Å; I52-L99 HydrophobicContact CD1-CD1 4.28Å; I52-L99 HydrophobicContact CD1-CD2 4.4Å; I52-L99 HydrophobicContact CG2-CD1 4.19Å; I52-L99 HydrophobicContact CG2-CD2 4.11Å; M56-L99 HydrophobicContact CB-CD2 3.82Å; V60-L99 HydrophobicContact CB-CD2 4.3Å; V60-L99 HydrophobicContact CB-CG 4.34Å; V60-L99 HydrophobicContact CG2-CB 4.44Å; V60-L99 HydrophobicContact CG2-CD2 3.74Å; V60-L99 HydrophobicContact CG2-CG 3.82Å; L89-L99 HydrophobicContact CD1-CD1 4.32Å; L89-L99 HydrophobicContact CD2-CD1 4.37Å; L94-L99 HydrophobicContact CD2-CB 4.27Å; L94-L99 HydrophobicContact CD2-CD1 3.85Å; K96-L99 WeakPolarHBondContact O-CB 3.38Å; K96-L99 PolarHBondContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 3.45Å; L99-G103 PolarHBondContact O-N 2.69Å |
| 100 | Q | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 39.3 Ų | 39.3 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66 | -38.7 | 175.9 | -166.5 | 175.6 | 24.7 | 0 | 0 | 111.7 | W63 L102 G103 A104 T128 S131 | W63-Q100 HydrophobicContact CE3-CG 4.32Å; W63-Q100 HydrophobicContact CH2-CG 4.12Å; W63-Q100 HydrophobicContact CZ2-CG 4.35Å; W63-Q100 HydrophobicContact CZ3-CG 4.1Å; Q100-L102 PolarHBondContact O-N 3.3Å; Q100-G103 PolarHBondContact O-N 3.05Å; Q100-A104 WeakPolarHBondContact O-CB 3.4Å; Q100-A104 PolarHBondContact O-N 3.02Å; Q100-T128 HydrophobicContact CG-CG2 3.98Å; Q100-S131 PolarHBondContact OE1-OG 2.89Å |
| 101 | L | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 172.2 | 176.7 | 62.6 | 0 | 0 | 0 | 111.7 | R98 A104 T105 I132 E136 L137 M140 | R98-L101 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.12Å; L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.46Å; L101-T105 PolarHBondContact O-OG1 3.17Å; L101-I132 HydrophobicContact CB-CG2 3.9Å; L101-I132 HydrophobicContact CD1-CB 4.09Å; L101-I132 HydrophobicContact CD1-CD1 3.83Å; L101-I132 HydrophobicContact CD1-CG2 3.98Å; L101-I132 HydrophobicContact CG-CG2 4.47Å; L101-E136 HydrophobicContact CD1-CB 4.23Å; L101-E136 HydrophobicContact CD2-CB 4.39Å; L101-L137 HydrophobicContact CD1-CB 4.4Å; L101-M140 HydrophobicContact CD1-CB 4.32Å; L101-M140 HydrophobicContact CD2-CB 4.24Å; L101-M140 HydrophobicContact CD2-CG 4.35Å; L101-M140 HydrophobicContact CD2-SD 4.46Å; L101-M140 HydrophobicContact CG-CB 4.12Å; L101-M140 HydrophobicContact CG-CG 4.08Å |
| 102 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 174.9 | 175.9 | 63.3 | 0 | 0 | 0 | 110.8 | L85 F88 L89 L94 R98 L99 Q100 A104 T105 C106 M140 L144 | L85-L102 HydrophobicContact CG-CD2 4.34Å; F88-L102 HydrophobicContact CB-CD1 4.15Å; F88-L102 HydrophobicContact CB-CD2 4.32Å; F88-L102 HydrophobicContact CD1-CD1 3.78Å; F88-L102 HydrophobicContact CD1-CD2 3.55Å; F88-L102 HydrophobicContact CD1-CG 4.35Å; F88-L102 HydrophobicContact CD2-CD1 4.3Å; F88-L102 HydrophobicContact CE1-CD1 4.27Å; F88-L102 HydrophobicContact CE1-CD2 4.23Å; F88-L102 HydrophobicContact CG-CD1 3.79Å; F88-L102 HydrophobicContact CG-CD2 4.18Å; L89-L102 HydrophobicContact CD2-CD2 3.95Å; L89-L102 HydrophobicContact CG-CD2 4.17Å; L94-L102 HydrophobicContact CD2-CB 3.97Å; L94-L102 HydrophobicContact CD2-CD2 3.72Å; R98-L102 PolarHBondContact O-N 3Å; L99-L102 PolarHBondContact O-N 3.45Å; Q100-L102 PolarHBondContact O-N 3.3Å; L102-A104 PolarHBondContact O-N 3.33Å; L102-T105 WeakPolarHBondContact O-CB 3.4Å; L102-T105 PolarHBondContact O-N 2.75Å; L102-C106 PolarHBondContact O-N 3.18Å; L102-C106 PolarHBondContact O-SG 3.4Å; L102-M140 HydrophobicContact CB-CE 4.08Å; L102-M140 HydrophobicContact CD1-CE 3.61Å; L102-M140 HydrophobicContact CG-CE 4.37Å; L102-L144 HydrophobicContact CD1-CD1 4.14Å |
| 103 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L99 Q100 T105 C106 M107 | L99-G103 PolarHBondContact O-N 2.69Å; Q100-G103 PolarHBondContact O-N 3.05Å; G103-T105 VanDerWaalsContact C-N 3.31Å; G103-T105 PolarHBondContact O-N 3.27Å; G103-C106 PolarHBondContact O-N 3.01Å; G103-M107 PolarHBondContact O-N 2.91Å |
| 104 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W63 Q100 L101 L102 M107 F108 L124 I132 L137 | W63-A104 HydrophobicContact CH2-CB 3.93Å; Q100-A104 WeakPolarHBondContact O-CB 3.4Å; Q100-A104 PolarHBondContact O-N 3.02Å; L101-A104 PolarHBondContact O-N 3.12Å; L102-A104 PolarHBondContact O-N 3.33Å; A104-M107 PolarHBondContact O-N 3.12Å; A104-F108 WeakPolarHBondContact O-CB 3.36Å; A104-F108 PolarHBondContact O-N 3.19Å; A104-L124 WeakPolarHBondContact O-CD1 3.49Å; A104-I132 HydrophobicContact CB-CD1 3.63Å; A104-L137 HydrophobicContact CB-CD1 4.22Å |
| 105 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 179 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L101 L102 G103 F108 V109 M140 E141 L144 | L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.46Å; L101-T105 PolarHBondContact O-OG1 3.17Å; L102-T105 WeakPolarHBondContact O-CB 3.4Å; L102-T105 PolarHBondContact O-N 2.75Å; G103-T105 VanDerWaalsContact C-N 3.31Å; G103-T105 PolarHBondContact O-N 3.27Å; T105-F108 WeakPolarHBondContact O-CB 3.24Å; T105-F108 PolarHBondContact O-N 3.2Å; T105-V109 WeakPolarHBondContact O-CG2 3.31Å; T105-V109 PolarHBondContact O-N 3.38Å; T105-M140 HydrophobicContact CG2-CB 4.07Å; T105-M140 HydrophobicContact CG2-CG 4.01Å; T105-M140 WeakPolarHBondContact OG1-CB 3.39Å; T105-M140 WeakPolarHBondContact OG1-CG 3.2Å; T105-E141 HydrophobicContact CG2-CB 3.96Å; T105-E141 VanDerWaalsContact CG2-N 3.3Å; T105-L144 HydrophobicContact CG2-CB 4.28Å; T105-L144 HydrophobicContact CG2-CD2 3.85Å |
| 106 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 176 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | M64 A81 L85 L102 G103 V109 A110 | M64-C106 HydrophobicContact CE-CB 4.34Å; A81-C106 HydrophobicContact CB-CB 4.04Å; A81-C106 WeakPolarHBondContact O-CB 3.38Å; L85-C106 PolarHBondContact N-SG 2.91Å; L85-C106 VanDerWaalsContact N-SG 3.45Å; L102-C106 PolarHBondContact O-N 3.18Å; L102-C106 PolarHBondContact O-SG 3.4Å; G103-C106 PolarHBondContact O-N 3.01Å; C106-V109 PolarHBondContact O-N 3.43Å; C106-A110 VanDerWaalsContact O-CB 3.23Å; C106-A110 WeakPolarHBondContact O-CB 3.45Å; C106-A110 PolarHBondContact O-N 3.19Å |
| 107 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.6 | -68.6 | -170.1 | -70.1 | 0 | 0 | 111.6 | W63 M64 V67 A81 G103 A104 V109 A110 S111 L119 L124 | W63-M107 HydrophobicContact CE3-CE 4.22Å; W63-M107 HydrophobicContact CH2-CE 3.33Å; W63-M107 HydrophobicContact CZ2-CE 4.03Å; W63-M107 HydrophobicContact CZ3-CE 3.45Å; W63-M107 VanDerWaalsContact CZ3-CE 3.45Å; M64-M107 VanDerWaalsContact CA-SD 3.6Å; M64-M107 HydrophobicContact CB-CE 4.3Å; M64-M107 HydrophobicContact CB-CG 4.28Å; M64-M107 HydrophobicContact CB-SD 3.68Å; M64-M107 HydrophobicContact CE-CG 3.88Å; M64-M107 HydrophobicContact CG-CE 3.83Å; M64-M107 HydrophobicContact CG-CG 4.05Å; M64-M107 HydrophobicContact CG-SD 3.76Å; V67-M107 HydrophobicContact CB-CE 4.19Å; V67-M107 HydrophobicContact CB-SD 4.11Å; V67-M107 HydrophobicContact CG1-CE 4.06Å; V67-M107 HydrophobicContact CG1-SD 4.09Å; V67-M107 HydrophobicContact CG2-CE 4.43Å; A81-M107 HydrophobicContact CB-CG 4.08Å; G103-M107 PolarHBondContact O-N 2.91Å; A104-M107 PolarHBondContact O-N 3.12Å; M107-V109 PolarHBondContact O-N 3.02Å; M107-A110 PolarHBondContact O-N 2.89Å; M107-S111 WeakPolarHBondContact O-CB 3.4Å; M107-S111 PolarHBondContact O-N 2.91Å; M107-L119 HydrophobicContact CB-CD1 4.45Å; M107-L124 HydrophobicContact CB-CD2 4.28Å; M107-L124 HydrophobicContact CE-CD2 3.84Å |
| 108 | F | 98.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 177.1 | -172.6 | -128.1 | 0 | 0 | 0 | 112.4 | A104 T105 K112 L119 A121 L124 L137 L138 E141 | A104-F108 WeakPolarHBondContact O-CB 3.36Å; A104-F108 PolarHBondContact O-N 3.19Å; T105-F108 WeakPolarHBondContact O-CB 3.24Å; T105-F108 PolarHBondContact O-N 3.2Å; F108-K112 VanDerWaalsContact CZ-NZ 3.26Å; F108-K112 WeakPolarHBondContact O-CG 3.46Å; F108-K112 PolarHBondContact O-N 2.92Å; F108-K112 VanDerWaalsContact O-N 3.17Å; F108-L119 VanDerWaalsContact CD2-O 3.22Å; F108-L119 WeakPolarHBondContact CD2-O 3.23Å; F108-L119 WeakPolarHBondContact CE2-O 3.31Å; F108-A121 HydrophobicContact CE2-CB 4.31Å; F108-A121 HydrophobicContact CZ-CB 4.27Å; F108-L124 HydrophobicContact CB-CD1 3.51Å; F108-L124 HydrophobicContact CD2-CD1 3.88Å; F108-L124 HydrophobicContact CG-CD1 4.08Å; F108-L137 HydrophobicContact CB-CD2 4.06Å; F108-L137 HydrophobicContact CD1-CD2 3.38Å; F108-L137 HydrophobicContact CD2-CD2 4.36Å; F108-L137 HydrophobicContact CE1-CD2 3.73Å; F108-L137 HydrophobicContact CG-CD2 3.7Å; F108-L137 HydrophobicContact CZ-CD2 4.38Å; F108-L138 HydrophobicContact CE1-CD2 3.92Å; F108-L138 HydrophobicContact CZ-CD2 4.23Å; F108-E141 WeakPolarHBondContact CE1-OE2 3.41Å |
| 109 | V | 98.7 | Very high | 97 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.7 | -40.2 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | Y84 T105 C106 M107 K112 M113 E141 L144 V145 L152 | Y84-V109 HydrophobicContact CD2-CB 4.35Å; Y84-V109 HydrophobicContact CD2-CG1 4.28Å; Y84-V109 HydrophobicContact CE2-CB 4.09Å; Y84-V109 HydrophobicContact CE2-CG1 3.7Å; T105-V109 WeakPolarHBondContact O-CG2 3.31Å; T105-V109 PolarHBondContact O-N 3.38Å; C106-V109 PolarHBondContact O-N 3.43Å; M107-V109 PolarHBondContact O-N 3.02Å; V109-K112 PolarHBondContact O-N 3.35Å; V109-M113 VanDerWaalsContact O-CG 3.32Å; V109-M113 WeakPolarHBondContact O-CG 3.2Å; V109-M113 PolarHBondContact O-N 3.45Å; V109-E141 HydrophobicContact CG2-CG 3.9Å; V109-L144 HydrophobicContact CB-CD2 4.43Å; V109-L144 HydrophobicContact CG2-CD2 4.05Å; V109-V145 HydrophobicContact CG1-CG2 4.26Å; V109-V145 HydrophobicContact CG2-CG2 4.16Å; V109-L152 HydrophobicContact CG1-CD1 3.86Å; V109-L152 HydrophobicContact CG1-CD2 4.01Å; V109-L152 HydrophobicContact CG1-CG 4.49Å |
| 110 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V77 L80 A81 Y84 C106 M107 K112 M113 K114 | V77-A110 HydrophobicContact CG1-CB 4.12Å; V77-A110 WeakPolarHBondContact O-CB 3.48Å; L80-A110 HydrophobicContact CB-CB 4.1Å; L80-A110 HydrophobicContact CD2-CB 4.12Å; L80-A110 HydrophobicContact CG-CB 4.04Å; A81-A110 HydrophobicContact CB-CB 3.86Å; Y84-A110 HydrophobicContact CD2-CB 4.32Å; Y84-A110 HydrophobicContact CE2-CB 3.9Å; C106-A110 VanDerWaalsContact O-CB 3.23Å; C106-A110 WeakPolarHBondContact O-CB 3.45Å; C106-A110 PolarHBondContact O-N 3.19Å; M107-A110 PolarHBondContact O-N 2.89Å; A110-K112 PolarHBondContact O-N 3.49Å; A110-M113 WeakPolarHBondContact O-CB 3.41Å; A110-M113 PolarHBondContact O-N 2.83Å; A110-K114 PolarHBondContact O-N 3.32Å |
| 111 | S | 98 | Very high | 97 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | M107 M113 K114 E115 P118 L119 | M107-S111 WeakPolarHBondContact O-CB 3.4Å; M107-S111 PolarHBondContact O-N 2.91Å; S111-M113 PolarHBondContact O-N 2.99Å; S111-K114 PolarHBondContact O-N 3.32Å; S111-E115 VanDerWaalsContact CB-OE2 3.22Å; S111-E115 WeakPolarHBondContact CB-OE2 3.36Å; S111-E115 WeakPolarHBondContact O-CB 3.46Å; S111-E115 PolarHBondContact O-N 3.46Å; S111-E115 PolarHBondContact OG-OE2 3.44Å; S111-P118 WeakPolarHBondContact OG-CA 3.32Å; S111-P118 WeakPolarHBondContact OG-CB 3.45Å; S111-L119 PolarHBondContact OG-N 3.48Å |
| 112 | K | 97.9 | Very high | 96.9 | Very high | 91 Ų | 91 | 39.2 Ų | 39.2 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -27.5 | 173 | -72.5 | 177.9 | -176.5 | -179 | 0 | 114.2 | F108 V109 A110 P118 E141 | F108-K112 VanDerWaalsContact CZ-NZ 3.26Å; F108-K112 WeakPolarHBondContact O-CG 3.46Å; F108-K112 PolarHBondContact O-N 2.92Å; F108-K112 VanDerWaalsContact O-N 3.17Å; V109-K112 PolarHBondContact O-N 3.35Å; A110-K112 PolarHBondContact O-N 3.49Å; K112-P118 HydrophobicContact CB-CG 4.48Å; K112-P118 HydrophobicContact CG-CB 3.93Å; K112-P118 HydrophobicContact CG-CG 4.14Å; K112-E141 VanDerWaalsContact NZ-CD 3.32Å; K112-E141 IonicContact NZ-OE1 3.38Å; K112-E141 PolarHBondContact NZ-OE1 3.09Å; K112-E141 IonicContact NZ-OE2 3.72Å; K112-E141 PolarHBondContact NZ-OE2 3.15Å |
| 113 | M | 97.2 | Very high | 96.8 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 43% | 0.433 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -86.8 | -26.9 | -178.5 | -67.9 | -62.5 | -60 | 0 | 0 | 113.2 | L80 V109 A110 S111 L152 | L80-M113 HydrophobicContact CD2-CB 4.06Å; V109-M113 VanDerWaalsContact O-CG 3.32Å; V109-M113 WeakPolarHBondContact O-CG 3.2Å; V109-M113 PolarHBondContact O-N 3.45Å; A110-M113 WeakPolarHBondContact O-CB 3.41Å; A110-M113 PolarHBondContact O-N 2.83Å; S111-M113 PolarHBondContact O-N 2.99Å; M113-L152 HydrophobicContact CE-CB 4.1Å; M113-L152 HydrophobicContact CG-CB 4.34Å; M113-L152 HydrophobicContact SD-CB 4.09Å; M113-L152 HydrophobicContact SD-CD1 4.23Å |
| 114 | K | 94.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -120.3 | -21.9 | -168.5 | -70.9 | -65.6 | -164.4 | 158.1 | 0 | 114.4 | E76 V77 L80 A110 S111 D159 | E76-K114 HydrophobicContact CB-CD 3.89Å; E76-K114 HydrophobicContact CB-CG 3.99Å; E76-K114 HydrophobicContact CG-CD 4.49Å; E76-K114 IonicContact OE1-NZ 2.76Å; E76-K114 PolarHBondContact OE1-NZ 2.91Å; V77-K114 HydrophobicContact CG2-CB 3.94Å; L80-K114 HydrophobicContact CD2-CG 3.7Å; A110-K114 PolarHBondContact O-N 3.32Å; S111-K114 PolarHBondContact O-N 3.32Å; K114-D159 IonicContact NZ-OD1 3.52Å |
| 115 | E | 92.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | trans | -102.2 | 148.8 | -176.9 | -57.6 | -166.2 | 89.3 | 0 | 0 | 112.5 | C73 E74 V77 S111 | C73-E115 WeakPolarHBondContact CA-OE1 3.32Å; C73-E115 PolarHBondContact SG-OE2 3.29Å; C73-E115 VanDerWaalsContact SG-OE2 3.41Å; E74-E115 HydrophobicContact CB-CG 4.41Å; E74-E115 HydrophobicContact CG-CG 4.26Å; V77-E115 HydrophobicContact CG2-CG 3.57Å; S111-E115 VanDerWaalsContact CB-OE2 3.22Å; S111-E115 WeakPolarHBondContact CB-OE2 3.36Å; S111-E115 WeakPolarHBondContact O-CB 3.46Å; S111-E115 PolarHBondContact O-N 3.46Å; S111-E115 PolarHBondContact OG-OE2 3.44Å | ||
| 116 | T | 90.6 | Very high | 96.6 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 69% | 0.693 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -70.8 | -38.4 | 172.3 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 117 | I | 92.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 50.3 Ų | 50.3 | 65% | 0.646 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -121.7 | 97.8 | 176.5 | -56.8 | 175.5 | 0 | 0 | 0 | 107.2 | ||
| 118 | P | 95.9 | Very high | 96.4 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.2 | -175.8 | -23.7 | 35.6 | 0 | 0 | 0 | 113.6 | S111 K112 T120 | S111-P118 WeakPolarHBondContact OG-CA 3.32Å; S111-P118 WeakPolarHBondContact OG-CB 3.45Å; K112-P118 HydrophobicContact CB-CG 4.48Å; K112-P118 HydrophobicContact CG-CB 3.93Å; K112-P118 HydrophobicContact CG-CG 4.14Å; P118-T120 PolarHBondContact O-N 3.07Å |
| 119 | L | 95.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 133.4 | 168.3 | -63.5 | 177.8 | 0 | 0 | 0 | 110.1 | Q71 M107 F108 S111 L124 | Q71-L119 HydrophobicContact CB-CD2 3.8Å; Q71-L119 HydrophobicContact CG-CD2 3.75Å; M107-L119 HydrophobicContact CB-CD1 4.45Å; F108-L119 VanDerWaalsContact CD2-O 3.22Å; F108-L119 WeakPolarHBondContact CD2-O 3.23Å; F108-L119 WeakPolarHBondContact CE2-O 3.31Å; S111-L119 PolarHBondContact OG-N 3.48Å; L119-L124 HydrophobicContact CB-CD1 4.24Å; L119-L124 HydrophobicContact CB-CG 4.3Å; L119-L124 HydrophobicContact CD1-CD2 4.03Å; L119-L124 HydrophobicContact CD1-CG 4.5Å |
| 120 | T | 97.4 | Very high | 96 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 149.8 | 176.7 | 67 | 0 | 0 | 0 | 0 | 110.8 | P118 E122 K123 L124 | P118-T120 PolarHBondContact O-N 3.07Å; T120-E122 VanDerWaalsContact C-N 3.26Å; T120-E122 PolarHBondContact O-N 3Å; T120-K123 PolarHBondContact O-N 3.38Å; T120-K123 VanDerWaalsContact OG1-CB 3.29Å; T120-K123 WeakPolarHBondContact OG1-CB 3.29Å; T120-K123 PolarHBondContact OG1-N 3.12Å; T120-L124 PolarHBondContact O-N 2.94Å; T120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 97.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F108 K123 L124 C125 P134 L137 | F108-A121 HydrophobicContact CE2-CB 4.31Å; F108-A121 HydrophobicContact CZ-CB 4.27Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 2.69Å; A121-L124 PolarHBondContact O-N 2.92Å; A121-C125 PolarHBondContact O-N 3.49Å; A121-C125 PolarHBondContact O-SG 2.99Å; A121-P134 HydrophobicContact CB-CB 4.28Å; A121-L137 HydrophobicContact CB-CD2 4.11Å |
| 122 | E | 97.2 | Very high | 95.8 | Very high | 144 Ų | 144 | 66.2 Ų | 66.2 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 176.5 | -66.6 | 179 | 176.1 | 0 | 0 | 112 | T120 C125 I126 P134 | T120-E122 VanDerWaalsContact C-N 3.26Å; T120-E122 PolarHBondContact O-N 3Å; E122-C125 WeakPolarHBondContact O-CB 3.39Å; E122-C125 PolarHBondContact O-N 3.16Å; E122-I126 WeakPolarHBondContact O-CG1 3.13Å; E122-I126 PolarHBondContact O-N 2.92Å; E122-P134 HydrophobicContact CG-CG 4.44Å |
| 123 | K | 96.2 | Very high | 95.7 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 37% | 0.365 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | -179.9 | -171.5 | 175.9 | -72.1 | -179.9 | 0 | 111.9 | Q71 T120 A121 C125 I126 Y127 | Q71-K123 VanDerWaalsContact CD-CD 3.48Å; Q71-K123 HydrophobicContact CG-CD 4.25Å; T120-K123 PolarHBondContact O-N 3.38Å; T120-K123 VanDerWaalsContact OG1-CB 3.29Å; T120-K123 WeakPolarHBondContact OG1-CB 3.29Å; T120-K123 PolarHBondContact OG1-N 3.12Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 2.69Å; K123-C125 VanDerWaalsContact C-N 3.3Å; K123-C125 PolarHBondContact O-N 3.33Å; K123-I126 WeakPolarHBondContact O-CB 3.13Å; K123-I126 PolarHBondContact O-N 3.4Å; K123-I126 VanDerWaalsContact O-N 3.16Å; K123-Y127 HydrophobicContact CD-CE2 4.21Å; K123-Y127 HydrophobicContact CG-CD2 4.13Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 VanDerWaalsContact O-CD2 3.3Å; K123-Y127 WeakPolarHBondContact O-CD2 3.23Å; K123-Y127 PolarHBondContact O-N 3.5Å; K123-Y127 VanDerWaalsContact O-N 3.12Å |
| 124 | L | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.2 | -75.6 | 170 | 0 | 0 | 0 | 112.1 | V67 A104 M107 F108 L119 T120 A121 I126 Y127 T128 L137 | V67-L124 HydrophobicContact CG1-CD2 4.34Å; A104-L124 WeakPolarHBondContact O-CD1 3.49Å; M107-L124 HydrophobicContact CB-CD2 4.28Å; M107-L124 HydrophobicContact CE-CD2 3.84Å; F108-L124 HydrophobicContact CB-CD1 3.51Å; F108-L124 HydrophobicContact CD2-CD1 3.88Å; F108-L124 HydrophobicContact CG-CD1 4.08Å; L119-L124 HydrophobicContact CB-CD1 4.24Å; L119-L124 HydrophobicContact CB-CG 4.3Å; L119-L124 HydrophobicContact CD1-CD2 4.03Å; L119-L124 HydrophobicContact CD1-CG 4.5Å; T120-L124 PolarHBondContact O-N 2.94Å; T120-L124 VanDerWaalsContact O-N 3.08Å; A121-L124 PolarHBondContact O-N 2.92Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 3.18Å; L124-Y127 PolarHBondContact O-N 3.31Å; L124-T128 WeakPolarHBondContact O-CG2 3.49Å; L124-T128 PolarHBondContact O-N 3.04Å; L124-L137 HydrophobicContact CB-CD1 3.82Å; L124-L137 HydrophobicContact CD1-CD1 4.12Å |
| 125 | C | 97.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 172.2 | -71 | 0 | 0 | 0 | 0 | 112.1 | A121 E122 K123 Y127 T128 N130 I132 P134 | A121-C125 PolarHBondContact O-N 3.49Å; A121-C125 PolarHBondContact O-SG 2.99Å; E122-C125 WeakPolarHBondContact O-CB 3.39Å; E122-C125 PolarHBondContact O-N 3.16Å; K123-C125 VanDerWaalsContact C-N 3.3Å; K123-C125 PolarHBondContact O-N 3.33Å; C125-Y127 VanDerWaalsContact C-N 3.33Å; C125-Y127 PolarHBondContact O-N 3.23Å; C125-T128 PolarHBondContact O-N 2.87Å; C125-T128 VanDerWaalsContact O-N 3.09Å; C125-T128 PolarHBondContact O-OG1 3.45Å; C125-N130 WeakPolarHBondContact O-CA 3.31Å; C125-N130 PolarHBondContact O-N 3.31Å; C125-I132 WeakPolarHBondContact CB-O 3.43Å; C125-I132 PolarHBondContact SG-O 3.34Å; C125-P134 VanDerWaalsContact SG-CD 3.58Å; C125-P134 VanDerWaalsContact SG-N 3.37Å |
| 126 | I | 97.6 | Very high | 96.2 | Very high | 104 Ų | 104 | 69 Ų | 69 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.5 | -67.1 | 166.5 | 0 | 0 | 0 | 110.8 | E122 K123 L124 T128 D129 | E122-I126 WeakPolarHBondContact O-CG1 3.13Å; E122-I126 PolarHBondContact O-N 2.92Å; K123-I126 WeakPolarHBondContact O-CB 3.13Å; K123-I126 PolarHBondContact O-N 3.4Å; K123-I126 VanDerWaalsContact O-N 3.16Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 3.18Å; I126-T128 PolarHBondContact O-N 3.2Å; I126-T128 VanDerWaalsContact O-N 3.08Å; I126-D129 WeakPolarHBondContact O-CA 3.34Å; I126-D129 PolarHBondContact O-N 3.4Å |
| 127 | Y | 97.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.9 | 177.6 | -82.8 | -63.1 | 0 | 0 | 0 | 115.5 | W63 V67 E70 Q71 K123 L124 C125 | W63-Y127 PolarHBondContact NE1-O 2.89Å; V67-Y127 HydrophobicContact CB-CG 4.43Å; V67-Y127 HydrophobicContact CG1-CD1 4.35Å; V67-Y127 HydrophobicContact CG1-CD2 3.7Å; V67-Y127 HydrophobicContact CG1-CE2 4.02Å; V67-Y127 HydrophobicContact CG1-CG 3.89Å; V67-Y127 HydrophobicContact CG2-CD1 3.71Å; V67-Y127 HydrophobicContact CG2-CD2 4.41Å; V67-Y127 HydrophobicContact CG2-CE1 4.39Å; V67-Y127 HydrophobicContact CG2-CG 3.74Å; E70-Y127 WeakPolarHBondContact CG-OH 3.34Å; E70-Y127 WeakPolarHBondContact OE1-CE1 3.47Å; E70-Y127 PolarHBondContact OE1-OH 3.07Å; E70-Y127 WeakPolarHBondContact OE2-CE1 3.49Å; Q71-Y127 HydrophobicContact CG-CE2 3.71Å; Q71-Y127 PolarHBondContact NE2-OH 3.19Å; K123-Y127 HydrophobicContact CD-CE2 4.21Å; K123-Y127 HydrophobicContact CG-CD2 4.13Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 VanDerWaalsContact O-CD2 3.3Å; K123-Y127 WeakPolarHBondContact O-CD2 3.23Å; K123-Y127 PolarHBondContact O-N 3.5Å; K123-Y127 VanDerWaalsContact O-N 3.12Å; L124-Y127 PolarHBondContact O-N 3.31Å; C125-Y127 VanDerWaalsContact C-N 3.33Å; C125-Y127 PolarHBondContact O-N 3.23Å |
| 128 | T | 95.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 15.8 | 173.5 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | W63 Q100 L124 C125 I126 N130 S131 I132 | W63-T128 HydrophobicContact CH2-CG2 3.9Å; W63-T128 HydrophobicContact CZ2-CG2 3.59Å; Q100-T128 HydrophobicContact CG-CG2 3.98Å; L124-T128 WeakPolarHBondContact O-CG2 3.49Å; L124-T128 PolarHBondContact O-N 3.04Å; C125-T128 PolarHBondContact O-N 2.87Å; C125-T128 VanDerWaalsContact O-N 3.09Å; C125-T128 PolarHBondContact O-OG1 3.45Å; I126-T128 PolarHBondContact O-N 3.2Å; I126-T128 VanDerWaalsContact O-N 3.08Å; T128-N130 PolarHBondContact O-N 3.36Å; T128-S131 WeakPolarHBondContact CB-OG 3.29Å; T128-S131 WeakPolarHBondContact O-CB 3.38Å; T128-S131 PolarHBondContact O-N 2.95Å; T128-S131 PolarHBondContact O-OG 3.24Å; T128-S131 PolarHBondContact OG1-N 3.36Å; T128-I132 HydrophobicContact CG2-CD1 3.89Å; T128-I132 HydrophobicContact CG2-CG1 3.8Å; T128-I132 VanDerWaalsContact OG1-CG1 3.24Å; T128-I132 WeakPolarHBondContact OG1-CG1 3.46Å; T128-I132 PolarHBondContact OG1-N 3.14Å |
| 129 | D | 95.6 | Very high | 97 | Very high | 150 Ų | 150 | 65 Ų | 65 | 80% | 0.802 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.7 | -167.9 | -71 | -30.3 | 0 | 0 | 0 | 112.6 | I126 S131 | I126-D129 WeakPolarHBondContact O-CA 3.34Å; I126-D129 PolarHBondContact O-N 3.4Å; D129-S131 PolarHBondContact O-N 3.23Å; D129-S131 VanDerWaalsContact O-N 3.14Å |
| 130 | N | 94.7 | Very high | 97.1 | Very high | 111 Ų | 111 | 64.5 Ų | 64.5 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 24.4 | -175.1 | -54 | -74 | 0 | 0 | 0 | 114.2 | C125 T128 I132 | C125-N130 WeakPolarHBondContact O-CA 3.31Å; C125-N130 PolarHBondContact O-N 3.31Å; T128-N130 PolarHBondContact O-N 3.36Å; N130-I132 PolarHBondContact O-N 2.99Å |
| 131 | S | 94.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -69.4 | -19.7 | 173.7 | 64.3 | 0 | 0 | 0 | 0 | 113 | Q100 T128 D129 | Q100-S131 PolarHBondContact OE1-OG 2.89Å; T128-S131 WeakPolarHBondContact CB-OG 3.29Å; T128-S131 WeakPolarHBondContact O-CB 3.38Å; T128-S131 PolarHBondContact O-N 2.95Å; T128-S131 PolarHBondContact O-OG 3.24Å; T128-S131 PolarHBondContact OG1-N 3.36Å; D129-S131 PolarHBondContact O-N 3.23Å; D129-S131 VanDerWaalsContact O-N 3.14Å |
| 132 | I | 96.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -118.3 | 150.7 | 169.7 | 62.9 | 163.1 | 0 | 0 | 0 | 110.9 | L101 A104 C125 T128 N130 L137 | L101-I132 HydrophobicContact CB-CG2 3.9Å; L101-I132 HydrophobicContact CD1-CB 4.09Å; L101-I132 HydrophobicContact CD1-CD1 3.83Å; L101-I132 HydrophobicContact CD1-CG2 3.98Å; L101-I132 HydrophobicContact CG-CG2 4.47Å; A104-I132 HydrophobicContact CB-CD1 3.63Å; C125-I132 WeakPolarHBondContact CB-O 3.43Å; C125-I132 PolarHBondContact SG-O 3.34Å; T128-I132 HydrophobicContact CG2-CD1 3.89Å; T128-I132 HydrophobicContact CG2-CG1 3.8Å; T128-I132 VanDerWaalsContact OG1-CG1 3.24Å; T128-I132 WeakPolarHBondContact OG1-CG1 3.46Å; T128-I132 PolarHBondContact OG1-N 3.14Å; N130-I132 PolarHBondContact O-N 2.99Å; I132-L137 HydrophobicContact CD1-CD1 4.05Å |
| 133 | R | 97.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 63.2 Ų | 63.2 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | trans | -103.9 | 154.2 | 177.2 | -61 | 175.5 | 61.5 | -115.2 | -8.4 | 112.2 | D135 E136 L137 | R133-D135 VanDerWaalsContact C-N 3.26Å; R133-D135 WeakPolarHBondContact CB-OD1 3.24Å; R133-D135 IonicContact CZ-OD1 2.69Å; R133-D135 IonicContact CZ-OD2 3.13Å; R133-D135 IonicContact NE-OD1 3.51Å; R133-D135 VanDerWaalsContact NH1-CG 3.29Å; R133-D135 IonicContact NH1-OD1 3.51Å; R133-D135 PolarHBondContact NH1-OD1 2.7Å; R133-D135 IonicContact NH1-OD2 3.05Å; R133-D135 PolarHBondContact NH1-OD2 3.5Å; R133-D135 IonicContact NH2-OD1 3.57Å; R133-D135 PolarHBondContact NH2-OD1 3.47Å; R133-D135 IonicContact NH2-OD2 2.66Å; R133-D135 PolarHBondContact O-N 3.46Å; R133-E136 HydrophobicContact CB-CG 4.35Å; R133-E136 PolarHBondContact N-OE2 2.98Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.5Å; R133-L137 PolarHBondContact O-N 3.24Å; R133-L137 VanDerWaalsContact O-N 3.12Å | ||
| 134 | P | 97.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | -178.3 | -27.6 | 35.6 | 0 | 0 | 0 | 113.9 | A121 E122 C125 E136 L137 L138 | A121-P134 HydrophobicContact CB-CB 4.28Å; E122-P134 HydrophobicContact CG-CG 4.44Å; C125-P134 VanDerWaalsContact SG-CD 3.58Å; C125-P134 VanDerWaalsContact SG-N 3.37Å; P134-E136 VanDerWaalsContact C-N 3.34Å; P134-E136 PolarHBondContact O-N 2.86Å; P134-L137 PolarHBondContact O-N 3.4Å; P134-L138 VanDerWaalsContact O-CG 3.3Å; P134-L138 WeakPolarHBondContact O-CG 3.47Å; P134-L138 PolarHBondContact O-N 3.14Å |
| 135 | D | 97.9 | Very high | 97.4 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.1 | 54.1 | -55.1 | 0 | 0 | 0 | 112.6 | R133 Q139 | R133-D135 VanDerWaalsContact C-N 3.26Å; R133-D135 WeakPolarHBondContact CB-OD1 3.24Å; R133-D135 IonicContact CZ-OD1 2.69Å; R133-D135 IonicContact CZ-OD2 3.13Å; R133-D135 IonicContact NE-OD1 3.51Å; R133-D135 VanDerWaalsContact NH1-CG 3.29Å; R133-D135 IonicContact NH1-OD1 3.51Å; R133-D135 PolarHBondContact NH1-OD1 2.7Å; R133-D135 IonicContact NH1-OD2 3.05Å; R133-D135 PolarHBondContact NH1-OD2 3.5Å; R133-D135 IonicContact NH2-OD1 3.57Å; R133-D135 PolarHBondContact NH2-OD1 3.47Å; R133-D135 IonicContact NH2-OD2 2.66Å; R133-D135 PolarHBondContact O-N 3.46Å; D135-Q139 WeakPolarHBondContact O-CB 3.28Å; D135-Q139 VanDerWaalsContact O-CG 3.27Å; D135-Q139 WeakPolarHBondContact O-CG 3.18Å; D135-Q139 PolarHBondContact O-N 2.92Å |
| 136 | E | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 175 | -60.5 | 179.8 | 116.4 | 0 | 0 | 111.3 | L101 R133 P134 Q139 M140 | L101-E136 HydrophobicContact CD1-CB 4.23Å; L101-E136 HydrophobicContact CD2-CB 4.39Å; R133-E136 HydrophobicContact CB-CG 4.35Å; R133-E136 PolarHBondContact N-OE2 2.98Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.5Å; P134-E136 VanDerWaalsContact C-N 3.34Å; P134-E136 PolarHBondContact O-N 2.86Å; E136-Q139 PolarHBondContact O-N 3.44Å; E136-M140 VanDerWaalsContact O-CB 3.32Å; E136-M140 WeakPolarHBondContact O-CB 3.37Å; E136-M140 PolarHBondContact O-N 2.93Å |
| 137 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 177 | -169 | 155.5 | 0 | 0 | 0 | 111 | L101 A104 F108 A121 L124 I132 R133 P134 Q139 M140 E141 | L101-L137 HydrophobicContact CD1-CB 4.4Å; A104-L137 HydrophobicContact CB-CD1 4.22Å; F108-L137 HydrophobicContact CB-CD2 4.06Å; F108-L137 HydrophobicContact CD1-CD2 3.38Å; F108-L137 HydrophobicContact CD2-CD2 4.36Å; F108-L137 HydrophobicContact CE1-CD2 3.73Å; F108-L137 HydrophobicContact CG-CD2 3.7Å; F108-L137 HydrophobicContact CZ-CD2 4.38Å; A121-L137 HydrophobicContact CB-CD2 4.11Å; L124-L137 HydrophobicContact CB-CD1 3.82Å; L124-L137 HydrophobicContact CD1-CD1 4.12Å; I132-L137 HydrophobicContact CD1-CD1 4.05Å; R133-L137 PolarHBondContact O-N 3.24Å; R133-L137 VanDerWaalsContact O-N 3.12Å; P134-L137 PolarHBondContact O-N 3.4Å; L137-Q139 PolarHBondContact O-N 2.96Å; L137-M140 PolarHBondContact O-N 3.34Å; L137-E141 PolarHBondContact O-N 3.3Å |
| 138 | L | 98.4 | Very high | 97.4 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 177.6 | -66.7 | 176.1 | 0 | 0 | 0 | 112.5 | F108 P134 E141 L142 | F108-L138 HydrophobicContact CE1-CD2 3.92Å; F108-L138 HydrophobicContact CZ-CD2 4.23Å; P134-L138 VanDerWaalsContact O-CG 3.3Å; P134-L138 WeakPolarHBondContact O-CG 3.47Å; P134-L138 PolarHBondContact O-N 3.14Å; L138-E141 PolarHBondContact O-N 2.74Å; L138-L142 PolarHBondContact O-N 3.06Å |
| 139 | Q | 98.4 | Very high | 97.5 | Very high | 125 Ų | 125 | 69 Ų | 69 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 173.1 | -73.8 | 176.3 | 10.2 | 0 | 0 | 111.8 | D135 E136 L137 E141 L142 L143 | D135-Q139 WeakPolarHBondContact O-CB 3.28Å; D135-Q139 VanDerWaalsContact O-CG 3.27Å; D135-Q139 WeakPolarHBondContact O-CG 3.18Å; D135-Q139 PolarHBondContact O-N 2.92Å; E136-Q139 PolarHBondContact O-N 3.44Å; L137-Q139 PolarHBondContact O-N 2.96Å; Q139-E141 VanDerWaalsContact C-N 3.32Å; Q139-L142 PolarHBondContact O-N 3.28Å; Q139-L143 PolarHBondContact O-N 3.27Å; Q139-L143 VanDerWaalsContact O-N 3.16Å |
| 140 | M | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -34.6 | 177 | -166.8 | 68.6 | -168.8 | 0 | 0 | 111.5 | F88 L94 L101 L102 T105 E136 L137 L143 L144 | F88-M140 HydrophobicContact CE1-CE 3.88Å; F88-M140 HydrophobicContact CE2-CE 4.15Å; F88-M140 HydrophobicContact CZ-CE 3.6Å; L94-M140 HydrophobicContact CD1-CE 4.41Å; L101-M140 HydrophobicContact CD1-CB 4.32Å; L101-M140 HydrophobicContact CD2-CB 4.24Å; L101-M140 HydrophobicContact CD2-CG 4.35Å; L101-M140 HydrophobicContact CD2-SD 4.46Å; L101-M140 HydrophobicContact CG-CB 4.12Å; L101-M140 HydrophobicContact CG-CG 4.08Å; L102-M140 HydrophobicContact CB-CE 4.08Å; L102-M140 HydrophobicContact CD1-CE 3.61Å; L102-M140 HydrophobicContact CG-CE 4.37Å; T105-M140 HydrophobicContact CG2-CB 4.07Å; T105-M140 HydrophobicContact CG2-CG 4.01Å; T105-M140 WeakPolarHBondContact OG1-CB 3.39Å; T105-M140 WeakPolarHBondContact OG1-CG 3.2Å; E136-M140 VanDerWaalsContact O-CB 3.32Å; E136-M140 WeakPolarHBondContact O-CB 3.37Å; E136-M140 PolarHBondContact O-N 2.93Å; L137-M140 PolarHBondContact O-N 3.34Å; M140-L143 HydrophobicContact CE-CD2 4.3Å; M140-L143 PolarHBondContact O-N 2.83Å; M140-L143 HydrophobicContact SD-CD2 4.01Å; M140-L144 WeakPolarHBondContact O-CB 3.44Å; M140-L144 PolarHBondContact O-N 3.45Å |
| 141 | E | 98.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 173.6 | 170.1 | 175.4 | -132.5 | 0 | 0 | 110.9 | T105 F108 V109 K112 L137 L138 Q139 L143 L144 V145 | T105-E141 HydrophobicContact CG2-CB 3.96Å; T105-E141 VanDerWaalsContact CG2-N 3.3Å; F108-E141 WeakPolarHBondContact CE1-OE2 3.41Å; V109-E141 HydrophobicContact CG2-CG 3.9Å; K112-E141 VanDerWaalsContact NZ-CD 3.32Å; K112-E141 IonicContact NZ-OE1 3.38Å; K112-E141 PolarHBondContact NZ-OE1 3.09Å; K112-E141 IonicContact NZ-OE2 3.72Å; K112-E141 PolarHBondContact NZ-OE2 3.15Å; L137-E141 PolarHBondContact O-N 3.3Å; L138-E141 PolarHBondContact O-N 2.74Å; Q139-E141 VanDerWaalsContact C-N 3.32Å; E141-L143 VanDerWaalsContact C-N 3.26Å; E141-L143 PolarHBondContact O-N 3.4Å; E141-L144 PolarHBondContact O-N 3.1Å; E141-V145 HydrophobicContact CG-CG2 4.28Å; E141-V145 WeakPolarHBondContact O-CG2 3.5Å; E141-V145 PolarHBondContact O-N 3.4Å |
| 142 | L | 98.3 | Very high | 97.7 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.7 | -40.9 | 177.6 | -67.8 | 172.8 | 0 | 0 | 0 | 111.3 | L138 Q139 N146 | L138-L142 PolarHBondContact O-N 3.06Å; Q139-L142 PolarHBondContact O-N 3.28Å; L142-N146 VanDerWaalsContact O-CB 3.24Å; L142-N146 WeakPolarHBondContact O-CB 3.44Å; L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 3.03Å; L142-N146 PolarHBondContact O-ND2 2.88Å |
| 143 | L | 98.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 176.7 | -178.3 | 62.2 | 0 | 0 | 0 | 111.5 | F88 Q139 M140 E141 N146 K147 | F88-L143 HydrophobicContact CE2-CD2 4.42Å; F88-L143 HydrophobicContact CE2-CG 4.11Å; F88-L143 HydrophobicContact CZ-CD2 4.07Å; F88-L143 HydrophobicContact CZ-CG 4.25Å; Q139-L143 PolarHBondContact O-N 3.27Å; Q139-L143 VanDerWaalsContact O-N 3.16Å; M140-L143 HydrophobicContact CE-CD2 4.3Å; M140-L143 PolarHBondContact O-N 2.83Å; M140-L143 HydrophobicContact SD-CD2 4.01Å; E141-L143 VanDerWaalsContact C-N 3.26Å; E141-L143 PolarHBondContact O-N 3.4Å; L143-N146 PolarHBondContact O-N 3.44Å; L143-K147 HydrophobicContact CD1-CG 3.96Å; L143-K147 HydrophobicContact CG-CG 4.37Å; L143-K147 WeakPolarHBondContact O-CB 3.44Å; L143-K147 WeakPolarHBondContact O-CG 3.41Å; L143-K147 PolarHBondContact O-N 3.1Å |
| 144 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -56.3 | -179.5 | 175.9 | 62.4 | 0 | 0 | 0 | 110.9 | F88 L102 T105 V109 M140 E141 N146 K147 L148 | F88-L144 HydrophobicContact CB-CD1 3.85Å; F88-L144 HydrophobicContact CD2-CD1 3.59Å; F88-L144 HydrophobicContact CE2-CD1 4.5Å; F88-L144 HydrophobicContact CG-CD1 4.01Å; L102-L144 HydrophobicContact CD1-CD1 4.14Å; T105-L144 HydrophobicContact CG2-CB 4.28Å; T105-L144 HydrophobicContact CG2-CD2 3.85Å; V109-L144 HydrophobicContact CB-CD2 4.43Å; V109-L144 HydrophobicContact CG2-CD2 4.05Å; M140-L144 WeakPolarHBondContact O-CB 3.44Å; M140-L144 PolarHBondContact O-N 3.45Å; E141-L144 PolarHBondContact O-N 3.1Å; L144-N146 VanDerWaalsContact C-N 3.32Å; L144-N146 PolarHBondContact O-N 3.45Å; L144-K147 PolarHBondContact O-N 3.03Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.12Å; L144-L148 HydrophobicContact CG-CD1 4.23Å; L144-L148 WeakPolarHBondContact O-CG 3.27Å; L144-L148 PolarHBondContact O-N 3.47Å |
| 145 | V | 98.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | V109 E141 L148 K149 W150 L152 | V109-V145 HydrophobicContact CG1-CG2 4.26Å; V109-V145 HydrophobicContact CG2-CG2 4.16Å; E141-V145 HydrophobicContact CG-CG2 4.28Å; E141-V145 WeakPolarHBondContact O-CG2 3.5Å; E141-V145 PolarHBondContact O-N 3.4Å; V145-L148 CarbonylContact O-C 3.53Å; V145-L148 PolarHBondContact O-N 3.32Å; V145-K149 PolarHBondContact O-N 2.92Å; V145-K149 VanDerWaalsContact O-N 3.11Å; V145-W150 HydrophobicContact CG1-CB 4.37Å; V145-W150 HydrophobicContact CG1-CD2 3.34Å; V145-W150 HydrophobicContact CG1-CE3 3.63Å; V145-W150 HydrophobicContact CG1-CG 3.7Å; V145-W150 HydrophobicContact CG1-CH2 4.24Å; V145-W150 HydrophobicContact CG1-CZ2 3.99Å; V145-W150 HydrophobicContact CG1-CZ3 4.07Å; V145-W150 PolarHBondContact O-N 2.97Å; V145-L152 HydrophobicContact CG1-CD1 4.14Å; V145-L152 HydrophobicContact CG2-CD1 4.16Å; V145-L152 HydrophobicContact CG2-CD2 4.33Å |
| 146 | N | 97.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 177.2 | -75.9 | -42.5 | 0 | 0 | 0 | 112.6 | L142 L143 L144 L148 K149 W150 | L142-N146 VanDerWaalsContact O-CB 3.24Å; L142-N146 WeakPolarHBondContact O-CB 3.44Å; L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 3.03Å; L142-N146 PolarHBondContact O-ND2 2.88Å; L143-N146 PolarHBondContact O-N 3.44Å; L144-N146 VanDerWaalsContact C-N 3.32Å; L144-N146 PolarHBondContact O-N 3.45Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 2.95Å; N146-K149 PolarHBondContact O-N 3.4Å; N146-W150 PolarHBondContact OD1-NE1 2.88Å; N146-W150 VanDerWaalsContact OD1-NE1 3.16Å |
| 147 | K | 97.9 | Very high | 97.1 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 176.5 | -70.8 | -68.2 | 179.6 | 175.8 | 0 | 112 | F88 L91 E92 L143 L144 K149 | F88-K147 HydrophobicContact CD2-CB 4.16Å; F88-K147 HydrophobicContact CE2-CB 4.09Å; F88-K147 HydrophobicContact CE2-CG 3.98Å; L91-K147 WeakPolarHBondContact CD1-O 3.2Å; E92-K147 VanDerWaalsContact CD-CE 3.45Å; E92-K147 VanDerWaalsContact CD-NZ 3.28Å; E92-K147 HydrophobicContact CG-CD 3.76Å; E92-K147 HydrophobicContact CG-CG 4.09Å; E92-K147 WeakPolarHBondContact OE1-CD 3.46Å; E92-K147 WeakPolarHBondContact OE1-CE 3.47Å; E92-K147 IonicContact OE1-NZ 2.64Å; E92-K147 PolarHBondContact OE1-NZ 3.1Å; E92-K147 IonicContact OE2-NZ 3.65Å; L143-K147 HydrophobicContact CD1-CG 3.96Å; L143-K147 HydrophobicContact CG-CG 4.37Å; L143-K147 WeakPolarHBondContact O-CB 3.44Å; L143-K147 WeakPolarHBondContact O-CG 3.41Å; L143-K147 PolarHBondContact O-N 3.1Å; L144-K147 PolarHBondContact O-N 3.03Å; K147-K149 PolarHBondContact O-N 2.9Å |
| 148 | L | 97.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 3 | 172.4 | -60.1 | -173.7 | 0 | 0 | 0 | 113.5 | Y84 R87 L91 L144 V145 N146 W150 N151 L152 | Y84-L148 HydrophobicContact CD1-CD1 3.76Å; Y84-L148 HydrophobicContact CG-CD1 4.08Å; R87-L148 HydrophobicContact CB-CD2 3.59Å; L91-L148 HydrophobicContact CD1-CD2 4.41Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.12Å; L144-L148 HydrophobicContact CG-CD1 4.23Å; L144-L148 WeakPolarHBondContact O-CG 3.27Å; L144-L148 PolarHBondContact O-N 3.47Å; V145-L148 CarbonylContact O-C 3.53Å; V145-L148 PolarHBondContact O-N 3.32Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 2.95Å; L148-W150 PolarHBondContact O-N 2.85Å; L148-N151 WeakPolarHBondContact O-CB 3.19Å; L148-N151 PolarHBondContact O-N 2.84Å; L148-L152 HydrophobicContact CD1-CD2 4.25Å |
| 149 | K | 97.3 | Very high | 96.7 | Very high | 179 Ų | 179 | 53.5 Ų | 53.5 | 78% | 0.778 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37 | -178.8 | -56.4 | -179.7 | -179.1 | 177.1 | 0 | 112.9 | V145 N146 K147 N151 | V145-K149 PolarHBondContact O-N 2.92Å; V145-K149 VanDerWaalsContact O-N 3.11Å; N146-K149 PolarHBondContact O-N 3.4Å; K147-K149 PolarHBondContact O-N 2.9Å; K149-N151 PolarHBondContact O-N 3.08Å |
| 150 | W | 97.1 | Very high | 96.5 | Very high | 182 Ų | 182 | 47.6 Ų | 47.6 | 69% | 0.689 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 11.9 | -176.7 | -62.6 | 72.2 | 0 | 0 | 0 | 114.6 | V145 N146 L148 L152 | V145-W150 HydrophobicContact CG1-CB 4.37Å; V145-W150 HydrophobicContact CG1-CD2 3.34Å; V145-W150 HydrophobicContact CG1-CE3 3.63Å; V145-W150 HydrophobicContact CG1-CG 3.7Å; V145-W150 HydrophobicContact CG1-CH2 4.24Å; V145-W150 HydrophobicContact CG1-CZ2 3.99Å; V145-W150 HydrophobicContact CG1-CZ3 4.07Å; V145-W150 PolarHBondContact O-N 2.97Å; N146-W150 PolarHBondContact OD1-NE1 2.88Å; N146-W150 VanDerWaalsContact OD1-NE1 3.16Å; L148-W150 PolarHBondContact O-N 2.85Å; W150-L152 PolarHBondContact O-N 3.41Å |
| 151 | N | 95.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | trans | -80.2 | 73.4 | 174.1 | -172.5 | 11.7 | 0 | 0 | 0 | 109.9 | C38 R87 L148 K149 | C38-N151 PolarHBondContact SG-ND2 2.8Å; R87-N151 PolarHBondContact NH1-O 3.29Å; R87-N151 PolarHBondContact NH2-O 2.5Å; L148-N151 WeakPolarHBondContact O-CB 3.19Å; L148-N151 PolarHBondContact O-N 2.84Å; K149-N151 PolarHBondContact O-N 3.08Å | ||
| 152 | L | 96.2 | Very high | 96 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | trans | -94.4 | -22.8 | -176.2 | -58 | -178.4 | 0 | 0 | 0 | 112.6 | Y84 V109 M113 V145 L148 W150 A154 | Y84-L152 HydrophobicContact CE1-CB 4.42Å; Y84-L152 HydrophobicContact CE1-CD2 4.12Å; Y84-L152 PolarHBondContact OH-O 3.45Å; V109-L152 HydrophobicContact CG1-CD1 3.86Å; V109-L152 HydrophobicContact CG1-CD2 4.01Å; V109-L152 HydrophobicContact CG1-CG 4.49Å; M113-L152 HydrophobicContact CE-CB 4.1Å; M113-L152 HydrophobicContact CG-CB 4.34Å; M113-L152 HydrophobicContact SD-CB 4.09Å; M113-L152 HydrophobicContact SD-CD1 4.23Å; V145-L152 HydrophobicContact CG1-CD1 4.14Å; V145-L152 HydrophobicContact CG2-CD1 4.16Å; V145-L152 HydrophobicContact CG2-CD2 4.33Å; L148-L152 HydrophobicContact CD1-CD2 4.25Å; W150-L152 PolarHBondContact O-N 3.41Å; L152-A154 PolarHBondContact O-N 3.19Å | ||
| 153 | A | 93.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 62% | 0.62 | 22% | 0.22 | S | C | * | . | trans | -77.9 | 55.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 154 | A | 94.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | trans | -73.1 | 143 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C38 L80 N83 L152 | C38-A154 HydrophobicContact CB-CB 3.7Å; L80-A154 HydrophobicContact CD1-CB 3.9Å; N83-A154 WeakPolarHBondContact OD1-CB 3.45Å; L152-A154 PolarHBondContact O-N 3.19Å | ||
| 155 | M | 94.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | trans | -68.6 | 136.1 | 172.2 | -59.9 | -54.1 | -48.2 | 0 | 0 | 110 | M31 A34 E35 D159 F160 P200 | M31-M155 HydrophobicContact CB-CE 3.8Å; M31-M155 HydrophobicContact CB-CG 4.48Å; M31-M155 HydrophobicContact CB-SD 4.19Å; M31-M155 HydrophobicContact CE-CE 3.54Å; M31-M155 HydrophobicContact CG-CE 3.56Å; M31-M155 HydrophobicContact CG-SD 4.15Å; M31-M155 WeakPolarHBondContact O-CG 3.32Å; M31-M155 HydrophobicContact SD-CE 4.34Å; A34-M155 HydrophobicContact CB-CG 3.76Å; A34-M155 HydrophobicContact CB-SD 4.15Å; E35-M155 HydrophobicContact CB-CB 4.14Å; E35-M155 HydrophobicContact CB-CG 4.37Å; M155-D159 HydrophobicContact CE-CB 3.44Å; M155-D159 VanDerWaalsContact CE-CB 3.44Å; M155-F160 HydrophobicContact CB-CE2 3.92Å; M155-P200 VanDerWaalsContact O-CG 3.32Å; M155-P200 WeakPolarHBondContact O-CG 3.33Å | ||
| 156 | T | 95.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | trans | -107.4 | 157.5 | 175.6 | 68.7 | 0 | 0 | 0 | 0 | 110.1 | E76 L80 H158 D159 F160 | E76-T156 HydrophobicContact CB-CG2 4.37Å; L80-T156 HydrophobicContact CB-CG2 4.05Å; L80-T156 HydrophobicContact CD1-CG2 4.31Å; T156-H158 PolarHBondContact O-N 2.92Å; T156-D159 WeakPolarHBondContact CA-OD2 3.22Å; T156-D159 WeakPolarHBondContact CB-OD2 3.2Å; T156-D159 PolarHBondContact N-OD2 3.07Å; T156-D159 PolarHBondContact O-N 3.43Å; T156-D159 VanDerWaalsContact O-N 3.12Å; T156-D159 VanDerWaalsContact OG1-CG 3.29Å; T156-D159 PolarHBondContact OG1-N 3.16Å; T156-D159 PolarHBondContact OG1-OD2 3.02Å; T156-F160 WeakPolarHBondContact O-CD2 3.39Å | ||
| 157 | P | 96.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -31.3 | 174.5 | -26.9 | 36.8 | 0 | 0 | 0 | 112.8 | D159 F160 I161 V186 P200 I203 A204 | P157-D159 VanDerWaalsContact C-N 3.33Å; P157-D159 PolarHBondContact O-N 3.42Å; P157-F160 PolarHBondContact O-N 2.9Å; P157-F160 VanDerWaalsContact O-N 3.16Å; P157-I161 WeakPolarHBondContact O-CG1 3.45Å; P157-I161 PolarHBondContact O-N 3.08Å; P157-V186 HydrophobicContact CB-CB 4.38Å; P157-V186 HydrophobicContact CB-CG1 3.82Å; P157-V186 HydrophobicContact CB-CG2 3.57Å; P157-V186 HydrophobicContact CG-CG1 3.84Å; P157-V186 HydrophobicContact CG-CG2 4.35Å; P157-P200 HydrophobicContact CG-CB 4.12Å; P157-I203 HydrophobicContact CB-CB 4.5Å; P157-I203 HydrophobicContact CB-CG2 4.33Å; P157-I203 HydrophobicContact CG-CB 4.21Å; P157-I203 HydrophobicContact CG-CG2 4.1Å; P157-A204 HydrophobicContact CB-CB 4.03Å; P157-A204 VanDerWaalsContact O-CB 3.28Å; P157-A204 WeakPolarHBondContact O-CB 3.12Å |
| 158 | H | 94.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 176.4 | -65.4 | 106.1 | 0 | 0 | 0 | 113.1 | E75 E76 T156 F160 I161 E162 Q183 | E75-H158 PolarHBondContact O-CE1 3.27Å; E76-H158 HydrophobicContact CG-CB 3.56Å; T156-H158 PolarHBondContact O-N 2.92Å; H158-F160 PolarHBondContact O-N 3.44Å; H158-I161 PolarHBondContact O-N 3.25Å; H158-E162 PolarHBondContact O-N 2.85Å; H158-Q183 WeakPolarHBondContact NE2-CG 3.19Å |
| 159 | D | 92.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 178.3 | -56 | -60.9 | 0 | 0 | 0 | 111.1 | M31 K114 M155 T156 P157 H163 | M31-D159 HydrophobicContact CE-CB 3.8Å; M31-D159 VanDerWaalsContact CE-O 3.31Å; M31-D159 WeakPolarHBondContact CE-O 3.37Å; K114-D159 IonicContact NZ-OD1 3.52Å; M155-D159 HydrophobicContact CE-CB 3.44Å; M155-D159 VanDerWaalsContact CE-CB 3.44Å; T156-D159 WeakPolarHBondContact CA-OD2 3.22Å; T156-D159 WeakPolarHBondContact CB-OD2 3.2Å; T156-D159 PolarHBondContact N-OD2 3.07Å; T156-D159 PolarHBondContact O-N 3.43Å; T156-D159 VanDerWaalsContact O-N 3.12Å; T156-D159 VanDerWaalsContact OG1-CG 3.29Å; T156-D159 PolarHBondContact OG1-N 3.16Å; T156-D159 PolarHBondContact OG1-OD2 3.02Å; P157-D159 VanDerWaalsContact C-N 3.33Å; P157-D159 PolarHBondContact O-N 3.42Å; D159-H163 PolarHBondContact O-N 3.46Å |
| 160 | F | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.9 | -38.9 | 175.8 | -70.1 | -79.8 | 0 | 0 | 0 | 112.8 | L28 M31 L32 E35 M155 T156 P157 H158 E162 H163 F164 P200 A204 | L28-F160 HydrophobicContact CD1-CD1 3.94Å; L28-F160 HydrophobicContact CD1-CE1 3.92Å; M31-F160 HydrophobicContact CB-CE1 3.88Å; M31-F160 HydrophobicContact CB-CZ 3.86Å; M31-F160 HydrophobicContact CE-CD1 4Å; M31-F160 HydrophobicContact CE-CE1 4.14Å; M31-F160 HydrophobicContact CE-CG 4.24Å; L32-F160 HydrophobicContact CD2-CE1 3.72Å; L32-F160 HydrophobicContact CD2-CZ 4.11Å; L32-F160 HydrophobicContact CG-CE1 4.14Å; E35-F160 HydrophobicContact CG-CZ 4.45Å; E35-F160 WeakPolarHBondContact OE2-CE2 3.33Å; E35-F160 WeakPolarHBondContact OE2-CZ 3.37Å; M155-F160 HydrophobicContact CB-CE2 3.92Å; T156-F160 WeakPolarHBondContact O-CD2 3.39Å; P157-F160 PolarHBondContact O-N 2.9Å; P157-F160 VanDerWaalsContact O-N 3.16Å; H158-F160 PolarHBondContact O-N 3.44Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.07Å; F160-H163 WeakPolarHBondContact O-CB 3.28Å; F160-H163 PolarHBondContact O-N 2.86Å; F160-H163 VanDerWaalsContact O-N 3.17Å; F160-F164 HydrophobicContact CB-CE1 4.37Å; F160-F164 HydrophobicContact CB-CE2 3.89Å; F160-F164 HydrophobicContact CB-CZ 3.77Å; F160-F164 HydrophobicContact CD1-CE1 4.42Å; F160-F164 HydrophobicContact CD1-CZ 4.18Å; F160-F164 HydrophobicContact CG-CZ 4.38Å; F160-F164 WeakPolarHBondContact O-CD1 3.33Å; F160-F164 VanDerWaalsContact O-CD2 3.29Å; F160-F164 WeakPolarHBondContact O-CD2 3.22Å; F160-F164 WeakPolarHBondContact O-CG 3.32Å; F160-F164 PolarHBondContact O-N 3.41Å; F160-P200 HydrophobicContact CD2-CB 4.21Å; F160-P200 HydrophobicContact CE2-CB 4.02Å; F160-A204 HydrophobicContact CB-CB 3.56Å |
| 161 | I | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 176.1 | -70.8 | 167.4 | 0 | 0 | 0 | 110.3 | P157 H158 H163 F164 L165 A182 V186 A204 V208 | P157-I161 WeakPolarHBondContact O-CG1 3.45Å; P157-I161 PolarHBondContact O-N 3.08Å; H158-I161 PolarHBondContact O-N 3.25Å; I161-H163 VanDerWaalsContact C-N 3.31Å; I161-H163 PolarHBondContact O-N 3.46Å; I161-F164 PolarHBondContact O-N 3.48Å; I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.2Å; I161-L165 WeakPolarHBondContact O-CB 3.09Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 2.89Å; I161-A182 HydrophobicContact CD1-CB 3.81Å; I161-A182 HydrophobicContact CG1-CB 4.41Å; I161-V186 HydrophobicContact CD1-CG2 3.73Å; I161-A204 HydrophobicContact CG1-CB 3.92Å; I161-V208 HydrophobicContact CG1-CG2 4Å; I161-V208 HydrophobicContact CG2-CG2 4.33Å |
| 162 | E | 90.9 | Very high | 91.5 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.2 | -67.3 | -49.7 | 127.5 | 0 | 0 | 112.1 | H158 F160 F164 T166 R179 | H158-E162 PolarHBondContact O-N 2.85Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.07Å; E162-F164 PolarHBondContact O-N 3.18Å; E162-T166 WeakPolarHBondContact O-CB 3.29Å; E162-T166 PolarHBondContact O-N 3.3Å; E162-T166 VanDerWaalsContact O-N 3.07Å; E162-T166 PolarHBondContact O-OG1 3.47Å; E162-R179 WeakPolarHBondContact OE1-CD 3.36Å; E162-R179 IonicContact OE1-CZ 3.6Å; E162-R179 IonicContact OE1-NE 2.78Å; E162-R179 PolarHBondContact OE1-NE 3.35Å; E162-R179 IonicContact OE1-NH2 2.7Å; E162-R179 IonicContact OE2-CZ 2.81Å; E162-R179 IonicContact OE2-NE 3.74Å; E162-R179 PolarHBondContact OE2-NE 3.04Å; E162-R179 IonicContact OE2-NH2 3.37Å; E162-R179 PolarHBondContact OE2-NH2 3.23Å |
| 163 | H | 90.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.5 | -164.3 | 91 | 0 | 0 | 0 | 111.6 | D159 F160 I161 K167 | D159-H163 PolarHBondContact O-N 3.46Å; F160-H163 WeakPolarHBondContact O-CB 3.28Å; F160-H163 PolarHBondContact O-N 2.86Å; F160-H163 VanDerWaalsContact O-N 3.17Å; I161-H163 VanDerWaalsContact C-N 3.31Å; I161-H163 PolarHBondContact O-N 3.46Å; H163-K167 WeakPolarHBondContact O-CG 3.42Å; H163-K167 PolarHBondContact O-N 2.96Å |
| 164 | F | 92.2 | Very high | 91 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -50.8 | 178.5 | -57.9 | -23.9 | 0 | 0 | 0 | 111.2 | F160 I161 E162 T166 K167 M168 A204 A205 V208 L233 V236 I237 | F160-F164 HydrophobicContact CB-CE1 4.37Å; F160-F164 HydrophobicContact CB-CE2 3.89Å; F160-F164 HydrophobicContact CB-CZ 3.77Å; F160-F164 HydrophobicContact CD1-CE1 4.42Å; F160-F164 HydrophobicContact CD1-CZ 4.18Å; F160-F164 HydrophobicContact CG-CZ 4.38Å; F160-F164 WeakPolarHBondContact O-CD1 3.33Å; F160-F164 VanDerWaalsContact O-CD2 3.29Å; F160-F164 WeakPolarHBondContact O-CD2 3.22Å; F160-F164 WeakPolarHBondContact O-CG 3.32Å; F160-F164 PolarHBondContact O-N 3.41Å; I161-F164 PolarHBondContact O-N 3.48Å; E162-F164 PolarHBondContact O-N 3.18Å; F164-T166 PolarHBondContact O-N 2.84Å; F164-K167 PolarHBondContact O-N 3.33Å; F164-M168 HydrophobicContact CB-CE 4.14Å; F164-M168 WeakPolarHBondContact O-CG 3.41Å; F164-M168 PolarHBondContact O-N 2.98Å; F164-A204 HydrophobicContact CE2-CB 3.81Å; F164-A205 HydrophobicContact CE2-CB 3.96Å; F164-A205 HydrophobicContact CZ-CB 4.44Å; F164-V208 HydrophobicContact CD2-CG2 4.43Å; F164-L233 HydrophobicContact CB-CD2 3.98Å; F164-L233 HydrophobicContact CD1-CD2 3.92Å; F164-L233 HydrophobicContact CD2-CD2 3.81Å; F164-L233 HydrophobicContact CE1-CD2 4.39Å; F164-L233 HydrophobicContact CE2-CD2 4.27Å; F164-L233 HydrophobicContact CG-CD2 3.63Å; F164-V236 HydrophobicContact CD1-CG1 3.96Å; F164-V236 HydrophobicContact CE1-CG1 3.62Å; F164-I237 HydrophobicContact CE1-CG2 3.93Å; F164-I237 HydrophobicContact CZ-CG2 3.48Å; F164-I237 VanDerWaalsContact CZ-CG2 3.48Å |
| 165 | L | 90.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -33.7 | -179.2 | -70.3 | 177.1 | 0 | 0 | 0 | 112.6 | I161 K167 M168 K175 I178 R179 | I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.2Å; I161-L165 WeakPolarHBondContact O-CB 3.09Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 2.89Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.01Å; L165-M168 HydrophobicContact CD2-SD 4.34Å; L165-M168 PolarHBondContact O-N 3.12Å; L165-K175 HydrophobicContact CB-CD 4.4Å; L165-K175 HydrophobicContact CD2-CB 4.38Å; L165-K175 HydrophobicContact CD2-CG 4.39Å; L165-K175 WeakPolarHBondContact O-CE 3.49Å; L165-K175 PolarHBondContact O-NZ 2.9Å; L165-I178 HydrophobicContact CD2-CB 4.16Å; L165-I178 HydrophobicContact CD2-CG2 3.82Å; L165-R179 HydrophobicContact CD1-CB 3.82Å; L165-R179 HydrophobicContact CD1-CG 4.43Å |
| 166 | T | 88.1 | Confident | 90.7 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -36.2 | 175.3 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | L23 E162 F164 M168 | L23-T166 HydrophobicContact CB-CG2 4.34Å; L23-T166 HydrophobicContact CD1-CG2 3.54Å; L23-T166 HydrophobicContact CD2-CG2 4.01Å; L23-T166 HydrophobicContact CG-CG2 4.15Å; E162-T166 WeakPolarHBondContact O-CB 3.29Å; E162-T166 PolarHBondContact O-N 3.3Å; E162-T166 VanDerWaalsContact O-N 3.07Å; E162-T166 PolarHBondContact O-OG1 3.47Å; F164-T166 PolarHBondContact O-N 2.84Å; T166-M168 VanDerWaalsContact C-N 3.32Å |
| 167 | K | 86.1 | Confident | 90.6 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -81.6 | -12.3 | -179.4 | -60.5 | -81.2 | 178 | 169.4 | 0 | 112.8 | L23 D25 H163 F164 L165 F232 | L23-K167 WeakPolarHBondContact O-CE 3.19Å; L23-K167 PolarHBondContact O-NZ 3.43Å; D25-K167 IonicContact OD1-NZ 3.61Å; D25-K167 PolarHBondContact OD1-NZ 3.14Å; H163-K167 WeakPolarHBondContact O-CG 3.42Å; H163-K167 PolarHBondContact O-N 2.96Å; F164-K167 PolarHBondContact O-N 3.33Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.01Å; K167-F232 HydrophobicContact CB-CZ 3.81Å |
| 168 | M | 86.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -86.2 | 129.5 | 179 | -61.9 | -176 | -175.1 | 0 | 0 | 111.2 | F164 L165 T166 L170 K175 V208 F223 L229 F232 L233 | F164-M168 HydrophobicContact CB-CE 4.14Å; F164-M168 WeakPolarHBondContact O-CG 3.41Å; F164-M168 PolarHBondContact O-N 2.98Å; L165-M168 HydrophobicContact CD2-SD 4.34Å; L165-M168 PolarHBondContact O-N 3.12Å; T166-M168 VanDerWaalsContact C-N 3.32Å; M168-L170 HydrophobicContact CB-CD1 3.85Å; M168-L170 HydrophobicContact CB-CG 3.89Å; M168-L170 PolarHBondContact O-N 3.42Å; M168-L170 HydrophobicContact SD-CD1 4.09Å; M168-K175 WeakPolarHBondContact O-CE 3.13Å; M168-V208 HydrophobicContact CE-CG1 3.73Å; M168-F223 HydrophobicContact CB-CE1 4.12Å; M168-F223 HydrophobicContact CG-CE1 3.93Å; M168-L229 HydrophobicContact CE-CD1 3.48Å; M168-L229 VanDerWaalsContact CE-CD1 3.48Å; M168-L229 HydrophobicContact SD-CD1 4.32Å; M168-F232 HydrophobicContact CE-CE1 4.44Å; M168-L233 HydrophobicContact CE-CD1 4.48Å; M168-L233 HydrophobicContact CE-CD2 4.1Å |
| 169 | P | 85.3 | Confident | 90.4 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 59% | 0.591 | 24% | 0.242 | S | C | * | . | trans | -78.8 | 67.6 | 178.4 | 33.9 | -35.5 | 0 | 0 | 0 | 111 | F223 | P169-F223 HydrophobicContact CG-CD1 4.2Å; P169-F223 HydrophobicContact CG-CD2 4.31Å; P169-F223 HydrophobicContact CG-CE1 4.46Å; P169-F223 HydrophobicContact CG-CG 4.14Å | ||
| 170 | L | 86.8 | Confident | 90.5 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -119.5 | 155.3 | -177.4 | -56.8 | 175.6 | 0 | 0 | 0 | 111.4 | M168 K175 I178 L224 | M168-L170 HydrophobicContact CB-CD1 3.85Å; M168-L170 HydrophobicContact CB-CG 3.89Å; M168-L170 PolarHBondContact O-N 3.42Å; M168-L170 HydrophobicContact SD-CD1 4.09Å; L170-K175 HydrophobicContact CB-CG 3.89Å; L170-K175 HydrophobicContact CD1-CG 4.45Å; L170-K175 VanDerWaalsContact O-CE 3.24Å; L170-K175 WeakPolarHBondContact O-CE 3.3Å; L170-I178 HydrophobicContact CD1-CD1 3.64Å; L170-L224 HydrophobicContact CD1-CD1 4.31Å; L170-L224 HydrophobicContact CD1-CD2 4Å; L170-L224 HydrophobicContact CD2-CD1 3.66Å; L170-L224 HydrophobicContact CD2-CD2 4.01Å; L170-L224 HydrophobicContact CD2-CG 3.87Å | ||
| 171 | A | 88.9 | Confident | 90.4 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | trans | -65.2 | 147.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D173 T174 K175 | A171-D173 VanDerWaalsContact C-N 3.27Å; A171-D173 PolarHBondContact O-N 3.16Å; A171-T174 WeakPolarHBondContact O-CB 3.22Å; A171-T174 PolarHBondContact O-N 2.95Å; A171-T174 VanDerWaalsContact O-N 3.09Å; A171-K175 PolarHBondContact O-N 3.09Å | ||
| 172 | E | 88.5 | Confident | 90.5 | Very high | 113 Ų | 113 | 53.8 Ų | 53.8 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -34.5 | -177.8 | -72 | -53.9 | 136 | 0 | 0 | 112.9 | T174 K175 Q176 | E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 3.03Å; E172-K175 PolarHBondContact O-N 2.97Å; E172-K175 WeakPolarHBondContact OE1-CD 3.49Å; E172-K175 IonicContact OE1-NZ 3.19Å; E172-K175 PolarHBondContact OE1-NZ 3.4Å; E172-Q176 WeakPolarHBondContact O-CB 3.47Å; E172-Q176 PolarHBondContact O-N 2.72Å |
| 173 | D | 89.8 | Confident | 90.7 | Very high | 130 Ų | 130 | 52 Ų | 52 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 174.9 | -62.6 | -26.4 | 0 | 0 | 0 | 111.6 | A171 Q176 I177 | A171-D173 VanDerWaalsContact C-N 3.27Å; A171-D173 PolarHBondContact O-N 3.16Å; D173-Q176 PolarHBondContact O-N 3.09Å; D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 2.67Å; D173-I177 VanDerWaalsContact O-N 3.12Å |
| 174 | T | 89.2 | Confident | 90.9 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 176 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | A171 E172 Q176 I177 I178 L217 | A171-T174 WeakPolarHBondContact O-CB 3.22Å; A171-T174 PolarHBondContact O-N 2.95Å; A171-T174 VanDerWaalsContact O-N 3.09Å; E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 3.03Å; T174-Q176 VanDerWaalsContact C-N 3.3Å; T174-Q176 PolarHBondContact O-N 2.88Å; T174-I177 PolarHBondContact O-N 2.95Å; T174-I178 HydrophobicContact CG2-CD1 4.04Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 2.87Å; T174-L217 HydrophobicContact CG2-CD1 3.82Å; T174-L217 HydrophobicContact CG2-CD2 4.4Å |
| 175 | K | 91 | Very high | 91.1 | Very high | 23 Ų | 23 | 56 Ų | 56 | 10% | 0.1 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.8 | -67 | -178.5 | -170.5 | 168.3 | 0 | 111.4 | L165 M168 L170 A171 E172 I177 I178 R179 | L165-K175 HydrophobicContact CB-CD 4.4Å; L165-K175 HydrophobicContact CD2-CB 4.38Å; L165-K175 HydrophobicContact CD2-CG 4.39Å; L165-K175 WeakPolarHBondContact O-CE 3.49Å; L165-K175 PolarHBondContact O-NZ 2.9Å; M168-K175 WeakPolarHBondContact O-CE 3.13Å; L170-K175 HydrophobicContact CB-CG 3.89Å; L170-K175 HydrophobicContact CD1-CG 4.45Å; L170-K175 VanDerWaalsContact O-CE 3.24Å; L170-K175 WeakPolarHBondContact O-CE 3.3Å; A171-K175 PolarHBondContact O-N 3.09Å; E172-K175 PolarHBondContact O-N 2.97Å; E172-K175 WeakPolarHBondContact OE1-CD 3.49Å; E172-K175 IonicContact OE1-NZ 3.19Å; E172-K175 PolarHBondContact OE1-NZ 3.4Å; K175-I177 PolarHBondContact O-N 3.28Å; K175-I178 PolarHBondContact O-N 3.39Å; K175-R179 WeakPolarHBondContact O-CB 3.32Å; K175-R179 PolarHBondContact O-N 2.94Å |
| 176 | Q | 91.5 | Very high | 91.4 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.8 | -175.1 | 61.3 | 19.1 | 0 | 0 | 112.3 | E172 D173 T174 K180 | E172-Q176 WeakPolarHBondContact O-CB 3.47Å; E172-Q176 PolarHBondContact O-N 2.72Å; D173-Q176 PolarHBondContact O-N 3.09Å; T174-Q176 VanDerWaalsContact C-N 3.3Å; T174-Q176 PolarHBondContact O-N 2.88Å; Q176-K180 PolarHBondContact O-N 3.33Å; Q176-K180 VanDerWaalsContact O-N 3.09Å |
| 177 | I | 92.3 | Very high | 91.8 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -51.5 | 174.7 | -62 | 165.8 | 0 | 0 | 0 | 109.7 | D173 T174 K175 R179 K180 H181 L215 | D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 2.67Å; D173-I177 VanDerWaalsContact O-N 3.12Å; T174-I177 PolarHBondContact O-N 2.95Å; K175-I177 PolarHBondContact O-N 3.28Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 3.44Å; I177-K180 PolarHBondContact O-N 3.4Å; I177-H181 PolarHBondContact O-CD2 3.24Å; I177-H181 VanDerWaalsContact O-CD2 3.25Å; I177-H181 PolarHBondContact O-N 3.41Å; I177-H181 VanDerWaalsContact O-N 3.1Å; I177-L215 HydrophobicContact CG2-CD1 3.57Å; I177-L215 HydrophobicContact CG2-CD2 4.02Å; I177-L215 HydrophobicContact CG2-CG 4.46Å |
| 178 | I | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -44.9 | 178.9 | -65.7 | 166.5 | 0 | 0 | 0 | 110.8 | L165 L170 T174 K175 K180 H181 A182 V208 A211 V212 L215 L217 | L165-I178 HydrophobicContact CD2-CB 4.16Å; L165-I178 HydrophobicContact CD2-CG2 3.82Å; L170-I178 HydrophobicContact CD1-CD1 3.64Å; T174-I178 HydrophobicContact CG2-CD1 4.04Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 2.87Å; K175-I178 PolarHBondContact O-N 3.39Å; I178-K180 PolarHBondContact O-N 3.3Å; I178-H181 PolarHBondContact O-N 3.49Å; I178-A182 VanDerWaalsContact O-CB 3.28Å; I178-A182 WeakPolarHBondContact O-CB 3.32Å; I178-A182 PolarHBondContact O-N 2.99Å; I178-V208 HydrophobicContact CG2-CG1 4.21Å; I178-A211 HydrophobicContact CG2-CB 4.2Å; I178-V212 HydrophobicContact CD1-CG2 3.84Å; I178-V212 HydrophobicContact CG1-CG2 4.18Å; I178-V212 HydrophobicContact CG2-CG2 4.35Å; I178-L215 HydrophobicContact CG1-CD1 4.38Å; I178-L217 HydrophobicContact CD1-CD1 3.89Å; I178-L217 HydrophobicContact CG1-CD1 3.78Å |
| 179 | R | 94.6 | Very high | 92.6 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.7 | -53.6 | 176.9 | 179.6 | -175.7 | -68.8 | 107.3 | 3.5 | 111 | E162 L165 K175 I177 H181 A182 Q183 | E162-R179 WeakPolarHBondContact OE1-CD 3.36Å; E162-R179 IonicContact OE1-CZ 3.6Å; E162-R179 IonicContact OE1-NE 2.78Å; E162-R179 PolarHBondContact OE1-NE 3.35Å; E162-R179 IonicContact OE1-NH2 2.7Å; E162-R179 IonicContact OE2-CZ 2.81Å; E162-R179 IonicContact OE2-NE 3.74Å; E162-R179 PolarHBondContact OE2-NE 3.04Å; E162-R179 IonicContact OE2-NH2 3.37Å; E162-R179 PolarHBondContact OE2-NH2 3.23Å; L165-R179 HydrophobicContact CD1-CB 3.82Å; L165-R179 HydrophobicContact CD1-CG 4.43Å; K175-R179 WeakPolarHBondContact O-CB 3.32Å; K175-R179 PolarHBondContact O-N 2.94Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 3.44Å; R179-H181 PolarHBondContact O-N 3.35Å; R179-A182 PolarHBondContact O-N 3.37Å; R179-Q183 HydrophobicContact CG-CG 4.4Å; R179-Q183 WeakPolarHBondContact O-CB 3.33Å; R179-Q183 WeakPolarHBondContact O-CG 3.33Å; R179-Q183 PolarHBondContact O-N 2.98Å; R179-Q183 PolarHBondContact O-OE1 2.97Å |
| 180 | K | 93.6 | Very high | 93.1 | Very high | 141 Ų | 141 | 48.2 Ų | 48.2 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -58.7 | -45.3 | -179.2 | -172.9 | 178.1 | 178.6 | 178.3 | 0 | 112.2 | Q176 I177 I178 Q183 T184 | Q176-K180 PolarHBondContact O-N 3.33Å; Q176-K180 VanDerWaalsContact O-N 3.09Å; I177-K180 PolarHBondContact O-N 3.4Å; I178-K180 PolarHBondContact O-N 3.3Å; K180-Q183 PolarHBondContact O-N 3.01Å; K180-T184 PolarHBondContact O-N 3.16Å; K180-T184 PolarHBondContact O-OG1 2.95Å |
| 181 | H | 94.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 178 | -78.9 | -83.5 | 0 | 0 | 0 | 112.3 | I177 I178 R179 Q183 T184 F185 A211 | I177-H181 PolarHBondContact O-CD2 3.24Å; I177-H181 VanDerWaalsContact O-CD2 3.25Å; I177-H181 PolarHBondContact O-N 3.41Å; I177-H181 VanDerWaalsContact O-N 3.1Å; I178-H181 PolarHBondContact O-N 3.49Å; R179-H181 PolarHBondContact O-N 3.35Å; H181-Q183 VanDerWaalsContact C-N 3.34Å; H181-Q183 PolarHBondContact O-N 3.08Å; H181-T184 WeakPolarHBondContact O-CB 3.34Å; H181-T184 PolarHBondContact O-N 3.02Å; H181-F185 VanDerWaalsContact O-CD2 3.23Å; H181-F185 WeakPolarHBondContact O-CD2 3.48Å; H181-F185 PolarHBondContact O-N 2.95Å; H181-F185 VanDerWaalsContact O-N 3.1Å; H181-A211 HydrophobicContact CB-CB 3.69Å |
| 182 | A | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I161 I178 R179 T184 F185 V186 V208 | I161-A182 HydrophobicContact CD1-CB 3.81Å; I161-A182 HydrophobicContact CG1-CB 4.41Å; I178-A182 VanDerWaalsContact O-CB 3.28Å; I178-A182 WeakPolarHBondContact O-CB 3.32Å; I178-A182 PolarHBondContact O-N 2.99Å; R179-A182 PolarHBondContact O-N 3.37Å; A182-T184 PolarHBondContact O-N 3.32Å; A182-F185 PolarHBondContact O-N 2.79Å; A182-V186 WeakPolarHBondContact O-CG2 3.43Å; A182-V186 PolarHBondContact O-N 3.5Å; A182-V208 HydrophobicContact CB-CG2 4.15Å |
| 183 | Q | 95.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.1 | -72.8 | 169 | -34.9 | 0 | 0 | 111.6 | H158 R179 K180 H181 F185 V186 A187 | H158-Q183 WeakPolarHBondContact NE2-CG 3.19Å; R179-Q183 HydrophobicContact CG-CG 4.4Å; R179-Q183 WeakPolarHBondContact O-CB 3.33Å; R179-Q183 WeakPolarHBondContact O-CG 3.33Å; R179-Q183 PolarHBondContact O-N 2.98Å; R179-Q183 PolarHBondContact O-OE1 2.97Å; K180-Q183 PolarHBondContact O-N 3.01Å; H181-Q183 VanDerWaalsContact C-N 3.34Å; H181-Q183 PolarHBondContact O-N 3.08Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 2.92Å; Q183-V186 WeakPolarHBondContact O-CB 3.22Å; Q183-V186 PolarHBondContact O-N 3.01Å; Q183-A187 PolarHBondContact O-N 3.49Å |
| 184 | T | 94.7 | Very high | 93.5 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 112 | K180 H181 A182 A187 L188 | K180-T184 PolarHBondContact O-N 3.16Å; K180-T184 PolarHBondContact O-OG1 2.95Å; H181-T184 WeakPolarHBondContact O-CB 3.34Å; H181-T184 PolarHBondContact O-N 3.02Å; A182-T184 PolarHBondContact O-N 3.32Å; T184-A187 PolarHBondContact O-N 3.29Å; T184-L188 HydrophobicContact CG2-CD1 4.43Å; T184-L188 WeakPolarHBondContact O-CG 3.48Å; T184-L188 PolarHBondContact O-N 2.89Å |
| 185 | F | 96.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 176.7 | -65.8 | -42.7 | 0 | 0 | 0 | 112.8 | H181 A182 Q183 A187 L188 C189 S207 A210 A211 I251 L255 | H181-F185 VanDerWaalsContact O-CD2 3.23Å; H181-F185 WeakPolarHBondContact O-CD2 3.48Å; H181-F185 PolarHBondContact O-N 2.95Å; H181-F185 VanDerWaalsContact O-N 3.1Å; A182-F185 PolarHBondContact O-N 2.79Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 2.92Å; F185-A187 VanDerWaalsContact C-N 3.35Å; F185-A187 PolarHBondContact O-N 3.18Å; F185-L188 HydrophobicContact CD1-CD1 4.24Å; F185-L188 PolarHBondContact O-N 2.98Å; F185-C189 WeakPolarHBondContact O-CB 3.49Å; F185-C189 PolarHBondContact O-N 2.97Å; F185-C189 PolarHBondContact O-SG 3.23Å; F185-S207 WeakPolarHBondContact CB-OG 3.36Å; F185-S207 WeakPolarHBondContact CD2-O 3.32Å; F185-A210 HydrophobicContact CD2-CB 4.03Å; F185-A210 HydrophobicContact CE2-CB 3.84Å; F185-A210 HydrophobicContact CZ-CB 4.39Å; F185-A211 HydrophobicContact CD2-CB 4.39Å; F185-A211 HydrophobicContact CE2-CB 4.08Å; F185-I251 HydrophobicContact CB-CG2 3.83Å; F185-I251 HydrophobicContact CD1-CG2 3.65Å; F185-I251 HydrophobicContact CD2-CG2 4.45Å; F185-I251 HydrophobicContact CE1-CG2 4.36Å; F185-I251 HydrophobicContact CG-CG2 3.73Å; F185-L255 HydrophobicContact CE1-CB 4.44Å; F185-L255 HydrophobicContact CE1-CD1 4.14Å; F185-L255 HydrophobicContact CE1-CD2 3.83Å; F185-L255 HydrophobicContact CE1-CG 4.34Å; F185-L255 HydrophobicContact CZ-CD2 4.35Å |
| 186 | V | 97.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.2 | 166.7 | 0 | 0 | 0 | 0 | 111 | P79 P157 I161 A182 Q183 C189 A190 I203 | P79-V186 HydrophobicContact CB-CG1 4.27Å; P79-V186 HydrophobicContact CG-CG1 3.69Å; P157-V186 HydrophobicContact CB-CB 4.38Å; P157-V186 HydrophobicContact CB-CG1 3.82Å; P157-V186 HydrophobicContact CB-CG2 3.57Å; P157-V186 HydrophobicContact CG-CG1 3.84Å; P157-V186 HydrophobicContact CG-CG2 4.35Å; I161-V186 HydrophobicContact CD1-CG2 3.73Å; A182-V186 WeakPolarHBondContact O-CG2 3.43Å; A182-V186 PolarHBondContact O-N 3.5Å; Q183-V186 WeakPolarHBondContact O-CB 3.22Å; Q183-V186 PolarHBondContact O-N 3.01Å; V186-C189 PolarHBondContact O-N 3.03Å; V186-A190 PolarHBondContact O-N 2.71Å; V186-I203 HydrophobicContact CG2-CG2 4.26Å |
| 187 | A | 95.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L65 F78 Q183 T184 F185 C189 A190 T191 | L65-A187 HydrophobicContact CD1-CB 4.02Å; L65-A187 HydrophobicContact CD2-CB 4.36Å; F78-A187 HydrophobicContact CD1-CB 4.29Å; F78-A187 HydrophobicContact CE1-CB 4.26Å; Q183-A187 PolarHBondContact O-N 3.49Å; T184-A187 PolarHBondContact O-N 3.29Å; F185-A187 VanDerWaalsContact C-N 3.35Å; F185-A187 PolarHBondContact O-N 3.18Å; A187-C189 PolarHBondContact O-N 3.22Å; A187-A190 PolarHBondContact O-N 2.94Å; A187-T191 PolarHBondContact O-N 3.06Å |
| 188 | L | 94.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 175 | -74.7 | 171.6 | 0 | 0 | 0 | 111.7 | T184 F185 A190 T191 L254 L255 | T184-L188 HydrophobicContact CG2-CD1 4.43Å; T184-L188 WeakPolarHBondContact O-CG 3.48Å; T184-L188 PolarHBondContact O-N 2.89Å; F185-L188 HydrophobicContact CD1-CD1 4.24Å; F185-L188 PolarHBondContact O-N 2.98Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 2.94Å; L188-T191 PolarHBondContact O-N 3.16Å; L188-T191 VanDerWaalsContact O-N 3.14Å; L188-T191 PolarHBondContact O-OG1 3.48Å; L188-L254 HydrophobicContact CB-CD2 4.16Å; L188-L254 WeakPolarHBondContact O-CD2 3.37Å; L188-L255 HydrophobicContact CD1-CB 4.48Å; L188-L255 HydrophobicContact CD1-CD1 3.69Å |
| 189 | C | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | F185 V186 A187 T191 D192 F195 I203 I251 | F185-C189 WeakPolarHBondContact O-CB 3.49Å; F185-C189 PolarHBondContact O-N 2.97Å; F185-C189 PolarHBondContact O-SG 3.23Å; V186-C189 PolarHBondContact O-N 3.03Å; A187-C189 PolarHBondContact O-N 3.22Å; C189-T191 PolarHBondContact O-N 2.73Å; C189-D192 PolarHBondContact O-N 3.21Å; C189-D192 VanDerWaalsContact O-N 3.09Å; C189-F195 HydrophobicContact CB-CB 4.12Å; C189-F195 HydrophobicContact CB-CD1 3.84Å; C189-F195 HydrophobicContact CB-CD2 4.08Å; C189-F195 HydrophobicContact CB-CE1 4.28Å; C189-F195 HydrophobicContact CB-CE2 4.49Å; C189-F195 HydrophobicContact CB-CG 3.73Å; C189-F195 WeakPolarHBondContact O-CB 3.5Å; C189-F195 VanDerWaalsContact SG-CE1 3.54Å; C189-I203 HydrophobicContact CB-CG2 3.84Å; C189-I251 VanDerWaalsContact SG-CG1 3.57Å |
| 190 | A | 95.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 12% | 0.116 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -29.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R57 F78 M82 V186 A187 L188 | R57-A190 PolarHBondContact NH1-O 3.38Å; R57-A190 PolarHBondContact NH2-O 2.7Å; F78-A190 HydrophobicContact CD1-CB 4.39Å; F78-A190 HydrophobicContact CE1-CB 3.66Å; F78-A190 HydrophobicContact CZ-CB 4.1Å; M82-A190 HydrophobicContact CB-CB 4.35Å; M82-A190 HydrophobicContact CG-CB 4.13Å; V186-A190 PolarHBondContact O-N 2.71Å; A187-A190 PolarHBondContact O-N 2.94Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 2.94Å |
| 191 | T | 93.8 | Very high | 93 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.6 | -25.8 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 114 | R57 A61 L65 F78 A187 L188 C189 | R57-T191 PolarHBondContact NH1-O 2.94Å; R57-T191 VanDerWaalsContact NH1-O 3.15Å; A61-T191 HydrophobicContact CB-CG2 4.29Å; L65-T191 HydrophobicContact CD2-CG2 4.36Å; F78-T191 HydrophobicContact CE1-CG2 4.45Å; F78-T191 HydrophobicContact CZ-CG2 4.01Å; A187-T191 PolarHBondContact O-N 3.06Å; L188-T191 PolarHBondContact O-N 3.16Å; L188-T191 VanDerWaalsContact O-N 3.14Å; L188-T191 PolarHBondContact O-OG1 3.48Å; C189-T191 PolarHBondContact O-N 2.73Å |
| 192 | D | 92.8 | Very high | 93 | Very high | 24 Ų | 24 | 28.2 Ų | 28.2 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -96.4 | 141.8 | -173.7 | -166.9 | -78.3 | 0 | 0 | 0 | 112.5 | C189 K194 F195 L254 | C189-D192 PolarHBondContact O-N 3.21Å; C189-D192 VanDerWaalsContact O-N 3.09Å; D192-K194 VanDerWaalsContact C-N 3.32Å; D192-K194 PolarHBondContact O-N 3.23Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 WeakPolarHBondContact OD1-CG 3.38Å; D192-K194 PolarHBondContact OD1-N 3.41Å; D192-F195 HydrophobicContact CB-CD2 4.14Å; D192-L254 HydrophobicContact CB-CD1 3.91Å; D192-L254 HydrophobicContact CB-CD2 3.74Å |
| 193 | V | 88.4 | Confident | 93 | Very high | 51 Ų | 51 | 29 Ų | 29 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -73.1 | -22.3 | -176.5 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | F45 P54 F195 I196 | F45-V193 HydrophobicContact CE2-CG1 4.02Å; F45-V193 HydrophobicContact CZ-CG1 4.28Å; P54-V193 HydrophobicContact CB-CG1 3.92Å; P54-V193 HydrophobicContact CB-CG2 4.42Å; V193-F195 PolarHBondContact O-N 3.15Å; V193-I196 HydrophobicContact CB-CD1 3.97Å; V193-I196 HydrophobicContact CG1-CD1 4.05Å; V193-I196 WeakPolarHBondContact O-CB 3.35Å; V193-I196 WeakPolarHBondContact O-CG1 3.42Å; V193-I196 PolarHBondContact O-N 3.47Å |
| 194 | K | 86.6 | Confident | 93.1 | Very high | 121 Ų | 121 | 27.7 Ų | 27.7 | 53% | 0.526 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -62.8 | -27 | 178.6 | -65.7 | 171.9 | -177 | 176.5 | 0 | 112 | D192 S197 | D192-K194 VanDerWaalsContact C-N 3.32Å; D192-K194 PolarHBondContact O-N 3.23Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 WeakPolarHBondContact OD1-CG 3.38Å; D192-K194 PolarHBondContact OD1-N 3.41Å; K194-S197 PolarHBondContact O-OG 2.97Å |
| 195 | F | 83.8 | Confident | 93.2 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -89.3 | -3.5 | -176.9 | -68.5 | -89.7 | 0 | 0 | 0 | 113.9 | C189 D192 V193 S197 N198 I203 Q250 I251 L254 | C189-F195 HydrophobicContact CB-CB 4.12Å; C189-F195 HydrophobicContact CB-CD1 3.84Å; C189-F195 HydrophobicContact CB-CD2 4.08Å; C189-F195 HydrophobicContact CB-CE1 4.28Å; C189-F195 HydrophobicContact CB-CE2 4.49Å; C189-F195 HydrophobicContact CB-CG 3.73Å; C189-F195 WeakPolarHBondContact O-CB 3.5Å; C189-F195 VanDerWaalsContact SG-CE1 3.54Å; D192-F195 HydrophobicContact CB-CD2 4.14Å; V193-F195 PolarHBondContact O-N 3.15Å; F195-S197 PolarHBondContact O-N 3.45Å; F195-N198 HydrophobicContact CD1-CB 4.49Å; F195-N198 WeakPolarHBondContact CD1-ND2 3.45Å; F195-N198 PolarHBondContact O-N 3.23Å; F195-N198 VanDerWaalsContact O-N 3.08Å; F195-I203 HydrophobicContact CB-CD1 4.22Å; F195-I203 HydrophobicContact CD1-CG1 4.18Å; F195-Q250 HydrophobicContact CE2-CB 4.43Å; F195-Q250 HydrophobicContact CZ-CB 3.78Å; F195-I251 HydrophobicContact CE1-CD1 4.31Å; F195-I251 HydrophobicContact CE1-CG1 3.67Å; F195-I251 HydrophobicContact CZ-CG1 3.6Å; F195-L254 HydrophobicContact CD2-CD2 4.4Å; F195-L254 HydrophobicContact CE2-CD2 3.91Å |
| 196 | I | 87.9 | Confident | 93.2 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -59.5 | -33.2 | 174.2 | -63.4 | 170 | 0 | 0 | 0 | 111.1 | P40 Y44 F45 V193 | P40-I196 HydrophobicContact CB-CG2 4.37Å; P40-I196 HydrophobicContact CG-CG2 3.86Å; Y44-I196 HydrophobicContact CE1-CD1 4.03Å; Y44-I196 HydrophobicContact CE1-CG2 4.07Å; F45-I196 HydrophobicContact CE2-CD1 3.95Å; V193-I196 HydrophobicContact CB-CD1 3.97Å; V193-I196 HydrophobicContact CG1-CD1 4.05Å; V193-I196 WeakPolarHBondContact O-CB 3.35Å; V193-I196 WeakPolarHBondContact O-CG1 3.42Å; V193-I196 PolarHBondContact O-N 3.47Å |
| 197 | S | 85.8 | Confident | 93.2 | Very high | 63 Ų | 63 | 23.1 Ų | 23.1 | 44% | 0.441 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -81 | -14.6 | 178.7 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | K194 F195 | K194-S197 PolarHBondContact O-OG 2.97Å; F195-S197 PolarHBondContact O-N 3.45Å |
| 198 | N | 91.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 22.4 Ų | 22.4 | 19% | 0.193 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -89.8 | 129.3 | -176 | -68 | -38.7 | 0 | 0 | 0 | 109.5 | F195 M202 I203 | F195-N198 HydrophobicContact CD1-CB 4.49Å; F195-N198 WeakPolarHBondContact CD1-ND2 3.45Å; F195-N198 PolarHBondContact O-N 3.23Å; F195-N198 VanDerWaalsContact O-N 3.08Å; N198-M202 HydrophobicContact CB-CG 4.42Å; N198-I203 HydrophobicContact CB-CD1 4.26Å; N198-I203 HydrophobicContact CB-CG1 3.82Å |
| 199 | P | 93.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 21 Ų | 21 | 28% | 0.279 | 12% | 0.118 | S | C | . | . | trans | -66 | 154.1 | 174.5 | 27 | -32.9 | 0 | 0 | 0 | 110.8 | S201 M202 I203 | P199-S201 PolarHBondContact O-N 3.17Å; P199-S201 VanDerWaalsContact O-N 3.16Å; P199-M202 HydrophobicContact CG-CB 3.8Å; P199-M202 WeakPolarHBondContact O-CB 3.42Å; P199-M202 PolarHBondContact O-N 2.81Å; P199-I203 PolarHBondContact O-N 3.07Å; P199-I203 VanDerWaalsContact O-N 3.12Å | ||
| 200 | P | 95.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 12% | 0.123 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -49.9 | -38.6 | 177 | -28 | 33.6 | 0 | 0 | 0 | 114.2 | E35 M155 P157 F160 M202 I203 A204 | E35-P200 HydrophobicContact CB-CG 4.25Å; E35-P200 WeakPolarHBondContact OE2-CD 3.32Å; M155-P200 VanDerWaalsContact O-CG 3.32Å; M155-P200 WeakPolarHBondContact O-CG 3.33Å; P157-P200 HydrophobicContact CG-CB 4.12Å; F160-P200 HydrophobicContact CD2-CB 4.21Å; F160-P200 HydrophobicContact CE2-CB 4.02Å; P200-M202 PolarHBondContact O-N 3.37Å; P200-I203 PolarHBondContact O-N 2.75Å; P200-A204 VanDerWaalsContact O-CB 3.29Å; P200-A204 WeakPolarHBondContact O-CB 3.32Å; P200-A204 PolarHBondContact O-N 3.4Å |
| 201 | S | 96.2 | Very high | 93 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | E35 P199 A205 | E35-S201 VanDerWaalsContact CD-OG 3.29Å; E35-S201 WeakPolarHBondContact OE1-CB 3.34Å; E35-S201 PolarHBondContact OE1-OG 3.43Å; E35-S201 VanDerWaalsContact OE2-CB 3.25Å; E35-S201 WeakPolarHBondContact OE2-CB 3.27Å; E35-S201 PolarHBondContact OE2-N 3.38Å; E35-S201 PolarHBondContact OE2-OG 3.36Å; P199-S201 PolarHBondContact O-N 3.17Å; P199-S201 VanDerWaalsContact O-N 3.16Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.49Å |
| 202 | M | 95.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 20.1 Ų | 20.1 | 10% | 0.099 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 177.8 | -177.6 | 66.8 | 73.7 | 0 | 0 | 111.6 | N198 P199 P200 A205 G206 I237 C239 C243 L244 C247 | N198-M202 HydrophobicContact CB-CG 4.42Å; P199-M202 HydrophobicContact CG-CB 3.8Å; P199-M202 WeakPolarHBondContact O-CB 3.42Å; P199-M202 PolarHBondContact O-N 2.81Å; P200-M202 PolarHBondContact O-N 3.37Å; M202-A205 PolarHBondContact O-N 3.32Å; M202-G206 PolarHBondContact O-N 2.89Å; M202-I237 HydrophobicContact SD-CD1 4.32Å; M202-C239 HydrophobicContact CE-CB 3.6Å; M202-C243 HydrophobicContact CE-CB 3.98Å; M202-L244 HydrophobicContact SD-CB 4.38Å; M202-L244 HydrophobicContact SD-CD1 4.21Å; M202-C247 HydrophobicContact CG-CB 4.08Å; M202-C247 HydrophobicContact SD-CB 4.06Å |
| 203 | I | 96.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 9% | 0.087 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 177.3 | -61.4 | 177.2 | 0 | 0 | 0 | 110.1 | P157 V186 C189 F195 N198 P199 P200 S207 | P157-I203 HydrophobicContact CB-CB 4.5Å; P157-I203 HydrophobicContact CB-CG2 4.33Å; P157-I203 HydrophobicContact CG-CB 4.21Å; P157-I203 HydrophobicContact CG-CG2 4.1Å; V186-I203 HydrophobicContact CG2-CG2 4.26Å; C189-I203 HydrophobicContact CB-CG2 3.84Å; F195-I203 HydrophobicContact CB-CD1 4.22Å; F195-I203 HydrophobicContact CD1-CG1 4.18Å; N198-I203 HydrophobicContact CB-CD1 4.26Å; N198-I203 HydrophobicContact CB-CG1 3.82Å; P199-I203 PolarHBondContact O-N 3.07Å; P199-I203 VanDerWaalsContact O-N 3.12Å; P200-I203 PolarHBondContact O-N 2.75Å; I203-S207 WeakPolarHBondContact O-CB 3.49Å; I203-S207 PolarHBondContact O-N 3.46Å; I203-S207 PolarHBondContact O-OG 3.23Å |
| 204 | A | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P157 F160 I161 F164 P200 S207 V208 | P157-A204 HydrophobicContact CB-CB 4.03Å; P157-A204 VanDerWaalsContact O-CB 3.28Å; P157-A204 WeakPolarHBondContact O-CB 3.12Å; F160-A204 HydrophobicContact CB-CB 3.56Å; I161-A204 HydrophobicContact CG1-CB 3.92Å; F164-A204 HydrophobicContact CE2-CB 3.81Å; P200-A204 VanDerWaalsContact O-CB 3.29Å; P200-A204 WeakPolarHBondContact O-CB 3.32Å; P200-A204 PolarHBondContact O-N 3.4Å; A204-S207 PolarHBondContact O-N 3.2Å; A204-V208 WeakPolarHBondContact O-CG2 3.49Å; A204-V208 PolarHBondContact O-N 2.7Å |
| 205 | A | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F164 S201 M202 S207 V208 V209 L233 I237 L244 | F164-A205 HydrophobicContact CE2-CB 3.96Å; F164-A205 HydrophobicContact CZ-CB 4.44Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.49Å; M202-A205 PolarHBondContact O-N 3.32Å; A205-S207 VanDerWaalsContact C-N 3.3Å; A205-S207 PolarHBondContact O-N 2.93Å; A205-V208 PolarHBondContact O-N 3.29Å; A205-V209 WeakPolarHBondContact O-CG2 3.48Å; A205-V209 PolarHBondContact O-N 3.46Å; A205-L233 HydrophobicContact CB-CB 4.25Å; A205-L233 HydrophobicContact CB-CD1 4.3Å; A205-I237 HydrophobicContact CB-CD1 3.7Å; A205-L244 HydrophobicContact CB-CD1 3.57Å; A205-L244 HydrophobicContact CB-CD2 4.45Å |
| 206 | G | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M202 V209 A210 | M202-G206 PolarHBondContact O-N 2.89Å; G206-V209 PolarHBondContact O-N 3.45Å; G206-A210 WeakPolarHBondContact O-CB 3.44Å; G206-A210 PolarHBondContact O-N 2.97Å |
| 207 | S | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | F185 I203 A204 A205 A211 | F185-S207 WeakPolarHBondContact CB-OG 3.36Å; F185-S207 WeakPolarHBondContact CD2-O 3.32Å; I203-S207 WeakPolarHBondContact O-CB 3.49Å; I203-S207 PolarHBondContact O-N 3.46Å; I203-S207 PolarHBondContact O-OG 3.23Å; A204-S207 PolarHBondContact O-N 3.2Å; A205-S207 VanDerWaalsContact C-N 3.3Å; A205-S207 PolarHBondContact O-N 2.93Å; S207-A211 VanDerWaalsContact O-CB 3.3Å; S207-A211 WeakPolarHBondContact O-CB 3.27Å; S207-A211 PolarHBondContact O-N 2.88Å |
| 208 | V | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I161 F164 M168 I178 A182 A204 A205 A211 V212 L233 | I161-V208 HydrophobicContact CG1-CG2 4Å; I161-V208 HydrophobicContact CG2-CG2 4.33Å; F164-V208 HydrophobicContact CD2-CG2 4.43Å; M168-V208 HydrophobicContact CE-CG1 3.73Å; I178-V208 HydrophobicContact CG2-CG1 4.21Å; A182-V208 HydrophobicContact CB-CG2 4.15Å; A204-V208 WeakPolarHBondContact O-CG2 3.49Å; A204-V208 PolarHBondContact O-N 2.7Å; A205-V208 PolarHBondContact O-N 3.29Å; V208-A211 PolarHBondContact O-N 2.87Å; V208-V212 WeakPolarHBondContact O-CG2 3.36Å; V208-V212 PolarHBondContact O-N 3.47Å; V208-L233 HydrophobicContact CB-CD1 4.4Å; V208-L233 HydrophobicContact CG1-CD1 4.24Å |
| 209 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | A205 G206 A211 V212 Q213 Y226 L229 L233 L244 Q248 | A205-V209 WeakPolarHBondContact O-CG2 3.48Å; A205-V209 PolarHBondContact O-N 3.46Å; G206-V209 PolarHBondContact O-N 3.45Å; V209-A211 VanDerWaalsContact C-N 3.31Å; V209-A211 PolarHBondContact O-N 2.89Å; V209-V212 PolarHBondContact O-N 3.49Å; V209-Q213 HydrophobicContact CG1-CG 4.36Å; V209-Q213 WeakPolarHBondContact O-CG 3.38Å; V209-Q213 PolarHBondContact O-N 3.34Å; V209-Y226 HydrophobicContact CG1-CD2 4.16Å; V209-Y226 HydrophobicContact CG1-CE2 3.76Å; V209-L229 HydrophobicContact CG2-CD2 4.23Å; V209-L229 HydrophobicContact CG2-CG 4.21Å; V209-L233 HydrophobicContact CG2-CD1 3.71Å; V209-L244 HydrophobicContact CG2-CD2 4.43Å; V209-Q248 HydrophobicContact CB-CG 4.45Å; V209-Q248 HydrophobicContact CG1-CG 3.97Å |
| 210 | A | 93.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F185 G206 Q213 G214 Q248 I251 | F185-A210 HydrophobicContact CD2-CB 4.03Å; F185-A210 HydrophobicContact CE2-CB 3.84Å; F185-A210 HydrophobicContact CZ-CB 4.39Å; G206-A210 WeakPolarHBondContact O-CB 3.44Å; G206-A210 PolarHBondContact O-N 2.97Å; A210-Q213 PolarHBondContact O-N 3.07Å; A210-G214 PolarHBondContact O-N 3.46Å; A210-Q248 HydrophobicContact CB-CG 4.17Å; A210-I251 HydrophobicContact CB-CG2 4.25Å |
| 211 | A | 93.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I178 H181 F185 S207 V208 V209 Q213 L215 | I178-A211 HydrophobicContact CG2-CB 4.2Å; H181-A211 HydrophobicContact CB-CB 3.69Å; F185-A211 HydrophobicContact CD2-CB 4.39Å; F185-A211 HydrophobicContact CE2-CB 4.08Å; S207-A211 VanDerWaalsContact O-CB 3.3Å; S207-A211 WeakPolarHBondContact O-CB 3.27Å; S207-A211 PolarHBondContact O-N 2.88Å; V208-A211 PolarHBondContact O-N 2.87Å; V209-A211 VanDerWaalsContact C-N 3.31Å; V209-A211 PolarHBondContact O-N 2.89Å; A211-Q213 VanDerWaalsContact C-N 3.33Å; A211-Q213 PolarHBondContact O-N 2.71Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 WeakPolarHBondContact O-CD1 3.32Å; A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 3Å; A211-L215 VanDerWaalsContact O-N 3.11Å |
| 212 | V | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | I178 V208 V209 H216 L217 L224 L229 | I178-V212 HydrophobicContact CD1-CG2 3.84Å; I178-V212 HydrophobicContact CG1-CG2 4.18Å; I178-V212 HydrophobicContact CG2-CG2 4.35Å; V208-V212 WeakPolarHBondContact O-CG2 3.36Å; V208-V212 PolarHBondContact O-N 3.47Å; V209-V212 PolarHBondContact O-N 3.49Å; V212-H216 PolarHBondContact O-N 3.49Å; V212-L217 HydrophobicContact CG1-CB 4.29Å; V212-L217 PolarHBondContact O-N 3.1Å; V212-L224 HydrophobicContact CG1-CB 3.85Å; V212-L224 HydrophobicContact CG1-CD1 4.39Å; V212-L224 HydrophobicContact CG1-CD2 4.18Å; V212-L224 HydrophobicContact CG1-CG 4.38Å; V212-L224 HydrophobicContact CG2-CD2 4.28Å; V212-L229 HydrophobicContact CB-CD2 3.72Å; V212-L229 HydrophobicContact CG1-CD2 3.83Å; V212-L229 HydrophobicContact CG2-CD2 3.76Å |
| 213 | Q | 88.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -51 | 176.9 | -69.8 | -57.2 | -62.8 | 0 | 0 | 112.1 | V209 A210 A211 L215 H216 Y226 | V209-Q213 HydrophobicContact CG1-CG 4.36Å; V209-Q213 WeakPolarHBondContact O-CG 3.38Å; V209-Q213 PolarHBondContact O-N 3.34Å; A210-Q213 PolarHBondContact O-N 3.07Å; A211-Q213 VanDerWaalsContact C-N 3.33Å; A211-Q213 PolarHBondContact O-N 2.71Å; Q213-L215 PolarHBondContact O-N 2.65Å; Q213-H216 PolarHBondContact O-N 3.01Å; Q213-Y226 VanDerWaalsContact CD-CD2 3.43Å; Q213-Y226 HydrophobicContact CG-CD2 3.74Å; Q213-Y226 HydrophobicContact CG-CE2 4.21Å |
| 214 | G | 84.6 | Confident | 84.8 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.1 | -28.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A210 H216 | A210-G214 PolarHBondContact O-N 3.46Å; G214-H216 VanDerWaalsContact C-N 3.34Å; G214-H216 PolarHBondContact O-ND1 3.1Å |
| 215 | L | 84.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | 176.2 | -67.1 | 169 | 0 | 0 | 0 | 114.1 | I177 I178 A211 Q213 L217 | I177-L215 HydrophobicContact CG2-CD1 3.57Å; I177-L215 HydrophobicContact CG2-CD2 4.02Å; I177-L215 HydrophobicContact CG2-CG 4.46Å; I178-L215 HydrophobicContact CG1-CD1 4.38Å; A211-L215 WeakPolarHBondContact O-CB 3.46Å; A211-L215 WeakPolarHBondContact O-CD1 3.32Å; A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 3Å; A211-L215 VanDerWaalsContact O-N 3.11Å; Q213-L215 PolarHBondContact O-N 2.65Å; L215-L217 HydrophobicContact CB-CD1 3.93Å; L215-L217 HydrophobicContact CB-CD2 4.41Å; L215-L217 HydrophobicContact CB-CG 3.66Å; L215-L217 HydrophobicContact CD1-CD1 3.92Å; L215-L217 PolarHBondContact O-N 3.14Å; L215-L217 VanDerWaalsContact O-N 3.12Å |
| 216 | H | 80.9 | Confident | 83.4 | Confident | 129 Ų | 129 | 45.7 Ų | 45.7 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.9 | -177.6 | -56.3 | 77.9 | 0 | 0 | 0 | 113.6 | V212 Q213 G214 G218 D219 | V212-H216 PolarHBondContact O-N 3.49Å; Q213-H216 PolarHBondContact O-N 3.01Å; G214-H216 VanDerWaalsContact C-N 3.34Å; G214-H216 PolarHBondContact O-ND1 3.1Å; H216-G218 PolarHBondContact O-N 3.07Å; H216-D219 PolarHBondContact O-N 2.97Å |
| 217 | L | 76.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -72.3 | -19.2 | -177.2 | -63.2 | 174 | 0 | 0 | 0 | 112.7 | T174 I178 V212 L215 D219 T220 N221 L224 | T174-L217 HydrophobicContact CG2-CD1 3.82Å; T174-L217 HydrophobicContact CG2-CD2 4.4Å; I178-L217 HydrophobicContact CD1-CD1 3.89Å; I178-L217 HydrophobicContact CG1-CD1 3.78Å; V212-L217 HydrophobicContact CG1-CB 4.29Å; V212-L217 PolarHBondContact O-N 3.1Å; L215-L217 HydrophobicContact CB-CD1 3.93Å; L215-L217 HydrophobicContact CB-CD2 4.41Å; L215-L217 HydrophobicContact CB-CG 3.66Å; L215-L217 HydrophobicContact CD1-CD1 3.92Å; L215-L217 PolarHBondContact O-N 3.14Å; L215-L217 VanDerWaalsContact O-N 3.12Å; L217-D219 PolarHBondContact O-N 3.26Å; L217-T220 PolarHBondContact O-N 3.38Å; L217-N221 PolarHBondContact O-N 3.36Å; L217-L224 HydrophobicContact CB-CD1 3.67Å; L217-L224 HydrophobicContact CD1-CD1 4.42Å |
| 218 | G | 68.8 | Low | 82.2 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.7 | -23.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | H216 T220 L224 | H216-G218 PolarHBondContact O-N 3.07Å; G218-T220 VanDerWaalsContact C-N 3.3Å; G218-T220 PolarHBondContact O-N 3Å; G218-L224 WeakPolarHBondContact CA-O 3.23Å |
| 219 | D | 72.5 | Confident | 81.8 | Confident | 138 Ų | 138 | 56.3 Ų | 56.3 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -73.6 | -25.7 | -179.9 | -65.6 | -18.7 | 0 | 0 | 0 | 112.1 | H216 L217 | H216-D219 PolarHBondContact O-N 2.97Å; L217-D219 PolarHBondContact O-N 3.26Å |
| 220 | T | 69 | Low | 81.5 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 82% | 0.822 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -24.6 | -175.9 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | L217 G218 | L217-T220 PolarHBondContact O-N 3.38Å; G218-T220 VanDerWaalsContact C-N 3.3Å; G218-T220 PolarHBondContact O-N 3Å |
| 221 | N | 74 | Confident | 81.3 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | -131.7 | 115.2 | -176.8 | -171.1 | -26.8 | 0 | 0 | 0 | 111.7 | L217 F223 L224 S225 | L217-N221 PolarHBondContact O-N 3.36Å; N221-F223 PolarHBondContact O-N 3.42Å; N221-F223 WeakPolarHBondContact OD1-CB 3.42Å; N221-F223 PolarHBondContact OD1-N 3.49Å; N221-L224 HydrophobicContact CB-CB 4.2Å; N221-L224 HydrophobicContact CB-CD1 4.15Å; N221-L224 HydrophobicContact CB-CG 4.13Å; N221-L224 CarbonylContact O-C 3.52Å; N221-L224 WeakPolarHBondContact O-CA 3.32Å; N221-L224 WeakPolarHBondContact O-CB 3.41Å; N221-L224 PolarHBondContact O-N 3.35Å; N221-S225 PolarHBondContact O-N 2.74Å | ||
| 222 | T | 75.6 | Confident | 81.1 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 73% | 0.73 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -59 | -30.9 | -178.9 | -45.5 | 0 | 0 | 0 | 0 | 113.4 | L224 S225 | T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 2.95Å; T222-S225 WeakPolarHBondContact O-CB 3.48Å; T222-S225 PolarHBondContact O-N 3.2Å; T222-S225 VanDerWaalsContact O-N 3.13Å; T222-S225 PolarHBondContact O-OG 3.1Å |
| 223 | F | 74.4 | Confident | 81.2 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -66.4 | -33.3 | 174.9 | -179.4 | -91.6 | 0 | 0 | 0 | 111.9 | M168 P169 N221 S225 F232 | M168-F223 HydrophobicContact CB-CE1 4.12Å; M168-F223 HydrophobicContact CG-CE1 3.93Å; P169-F223 HydrophobicContact CG-CD1 4.2Å; P169-F223 HydrophobicContact CG-CD2 4.31Å; P169-F223 HydrophobicContact CG-CE1 4.46Å; P169-F223 HydrophobicContact CG-CG 4.14Å; N221-F223 PolarHBondContact O-N 3.42Å; N221-F223 WeakPolarHBondContact OD1-CB 3.42Å; N221-F223 PolarHBondContact OD1-N 3.49Å; F223-S225 PolarHBondContact O-N 3.29Å; F223-F232 HydrophobicContact CZ-CD1 4.35Å; F223-F232 HydrophobicContact CZ-CG 4.4Å |
| 224 | L | 76.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -84.3 | 4.5 | 175.2 | -63.3 | -175.5 | 0 | 0 | 0 | 113.1 | L170 V212 L217 G218 N221 T222 Y226 | L170-L224 HydrophobicContact CD1-CD1 4.31Å; L170-L224 HydrophobicContact CD1-CD2 4Å; L170-L224 HydrophobicContact CD2-CD1 3.66Å; L170-L224 HydrophobicContact CD2-CD2 4.01Å; L170-L224 HydrophobicContact CD2-CG 3.87Å; V212-L224 HydrophobicContact CG1-CB 3.85Å; V212-L224 HydrophobicContact CG1-CD1 4.39Å; V212-L224 HydrophobicContact CG1-CD2 4.18Å; V212-L224 HydrophobicContact CG1-CG 4.38Å; V212-L224 HydrophobicContact CG2-CD2 4.28Å; L217-L224 HydrophobicContact CB-CD1 3.67Å; L217-L224 HydrophobicContact CD1-CD1 4.42Å; G218-L224 WeakPolarHBondContact CA-O 3.23Å; N221-L224 HydrophobicContact CB-CB 4.2Å; N221-L224 HydrophobicContact CB-CD1 4.15Å; N221-L224 HydrophobicContact CB-CG 4.13Å; N221-L224 CarbonylContact O-C 3.52Å; N221-L224 WeakPolarHBondContact O-CA 3.32Å; N221-L224 WeakPolarHBondContact O-CB 3.41Å; N221-L224 PolarHBondContact O-N 3.35Å; T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 2.95Å; L224-Y226 PolarHBondContact O-N 2.97Å |
| 225 | S | 82.3 | Confident | 81.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -56.7 | 139.8 | 170.1 | 69.1 | 0 | 0 | 0 | 0 | 109.3 | N221 T222 F223 Q227 C228 L229 | N221-S225 PolarHBondContact O-N 2.74Å; T222-S225 WeakPolarHBondContact O-CB 3.48Å; T222-S225 PolarHBondContact O-N 3.2Å; T222-S225 VanDerWaalsContact O-N 3.13Å; T222-S225 PolarHBondContact O-OG 3.1Å; F223-S225 PolarHBondContact O-N 3.29Å; S225-Q227 PolarHBondContact O-N 2.92Å; S225-Q227 VanDerWaalsContact O-N 3.14Å; S225-C228 PolarHBondContact O-N 3.46Å; S225-C228 VanDerWaalsContact O-N 3.1Å; S225-C228 WeakPolarHBondContact OG-CB 3.37Å; S225-C228 PolarHBondContact OG-SG 3.34Å; S225-L229 PolarHBondContact O-N 2.93Å |
| 226 | Y | 81.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -50.1 | -45 | -173.1 | 179.2 | -109.7 | 0 | 0 | 0 | 113 | V209 Q213 L224 T230 R245 Q248 | V209-Y226 HydrophobicContact CG1-CD2 4.16Å; V209-Y226 HydrophobicContact CG1-CE2 3.76Å; Q213-Y226 VanDerWaalsContact CD-CD2 3.43Å; Q213-Y226 HydrophobicContact CG-CD2 3.74Å; Q213-Y226 HydrophobicContact CG-CE2 4.21Å; L224-Y226 PolarHBondContact O-N 2.97Å; Y226-T230 VanDerWaalsContact O-CB 3.32Å; Y226-T230 WeakPolarHBondContact O-CB 3.46Å; Y226-T230 PolarHBondContact O-N 3.49Å; Y226-T230 PolarHBondContact O-OG1 3.45Å; Y226-R245 WeakPolarHBondContact OH-CG 3.38Å; Y226-Q248 PolarHBondContact OH-OE1 3.24Å |
| 227 | Q | 83.5 | Confident | 82.3 | Confident | 159 Ų | 159 | 57.7 Ų | 57.7 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.1 | -44.9 | -178.1 | -66.9 | 178.7 | -13.8 | 0 | 0 | 112 | S225 H231 | S225-Q227 PolarHBondContact O-N 2.92Å; S225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-H231 WeakPolarHBondContact O-CB 3.16Å; Q227-H231 PolarHBondContact O-N 3.09Å |
| 228 | C | 85.3 | Confident | 83 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 179.7 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | S225 H231 F232 | S225-C228 PolarHBondContact O-N 3.46Å; S225-C228 VanDerWaalsContact O-N 3.1Å; S225-C228 WeakPolarHBondContact OG-CB 3.37Å; S225-C228 PolarHBondContact OG-SG 3.34Å; C228-H231 PolarHBondContact O-N 3.18Å; C228-F232 VanDerWaalsContact O-CB 3.23Å; C228-F232 WeakPolarHBondContact O-CB 3.28Å; C228-F232 PolarHBondContact O-N 3.05Å |
| 229 | L | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -47.7 | -178.7 | -179.3 | 61.5 | 0 | 0 | 0 | 111.9 | M168 V209 V212 S225 H231 F232 L233 | M168-L229 HydrophobicContact CE-CD1 3.48Å; M168-L229 VanDerWaalsContact CE-CD1 3.48Å; M168-L229 HydrophobicContact SD-CD1 4.32Å; V209-L229 HydrophobicContact CG2-CD2 4.23Å; V209-L229 HydrophobicContact CG2-CG 4.21Å; V212-L229 HydrophobicContact CB-CD2 3.72Å; V212-L229 HydrophobicContact CG1-CD2 3.83Å; V212-L229 HydrophobicContact CG2-CD2 3.76Å; S225-L229 PolarHBondContact O-N 2.93Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.27Å; L229-F232 PolarHBondContact O-N 3.41Å; L229-L233 HydrophobicContact CD1-CD1 3.83Å; L229-L233 HydrophobicContact CD1-CG 4.05Å; L229-L233 HydrophobicContact CG-CD1 4.05Å; L229-L233 WeakPolarHBondContact O-CB 3.44Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.36Å |
| 230 | T | 88.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 111 | Y226 S234 P241 L244 | Y226-T230 VanDerWaalsContact O-CB 3.32Å; Y226-T230 WeakPolarHBondContact O-CB 3.46Å; Y226-T230 PolarHBondContact O-N 3.49Å; Y226-T230 PolarHBondContact O-OG1 3.45Å; T230-S234 VanDerWaalsContact O-CB 3.23Å; T230-S234 WeakPolarHBondContact O-CB 3.39Å; T230-S234 PolarHBondContact O-N 3.49Å; T230-S234 PolarHBondContact O-OG 3.04Å; T230-P241 HydrophobicContact CG2-CB 4.5Å; T230-L244 HydrophobicContact CG2-CB 4.46Å; T230-L244 HydrophobicContact CG2-CD2 3.88Å; T230-L244 HydrophobicContact CG2-CG 4.18Å |
| 231 | H | 89.3 | Confident | 85.9 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 175.3 | -166.4 | 68.2 | 0 | 0 | 0 | 112.5 | Q227 C228 L229 S234 Q235 | Q227-H231 WeakPolarHBondContact O-CB 3.16Å; Q227-H231 PolarHBondContact O-N 3.09Å; C228-H231 PolarHBondContact O-N 3.18Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.27Å; H231-S234 WeakPolarHBondContact CA-OG 3.43Å; H231-S234 PolarHBondContact O-OG 3.43Å; H231-Q235 PolarHBondContact CD2-NE2 3.2Å; H231-Q235 PolarHBondContact NE2-NE2 3.5Å; H231-Q235 VanDerWaalsContact O-CG 3.31Å; H231-Q235 WeakPolarHBondContact O-CG 3.38Å; H231-Q235 PolarHBondContact O-N 3.37Å |
| 232 | F | 89.9 | Confident | 86.8 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -52.9 | 175.9 | 169.5 | -105.9 | 0 | 0 | 0 | 111.4 | K167 M168 F223 C228 L229 S234 Q235 V236 | K167-F232 HydrophobicContact CB-CZ 3.81Å; M168-F232 HydrophobicContact CE-CE1 4.44Å; F223-F232 HydrophobicContact CZ-CD1 4.35Å; F223-F232 HydrophobicContact CZ-CG 4.4Å; C228-F232 VanDerWaalsContact O-CB 3.23Å; C228-F232 WeakPolarHBondContact O-CB 3.28Å; C228-F232 PolarHBondContact O-N 3.05Å; L229-F232 PolarHBondContact O-N 3.41Å; F232-S234 PolarHBondContact O-N 3.01Å; F232-Q235 PolarHBondContact O-N 3.35Å; F232-V236 HydrophobicContact CD2-CG2 4.16Å; F232-V236 HydrophobicContact CE1-CG2 4.18Å; F232-V236 HydrophobicContact CE2-CG2 3.76Å; F232-V236 HydrophobicContact CZ-CG2 3.77Å; F232-V236 WeakPolarHBondContact O-CG2 3.35Å; F232-V236 PolarHBondContact O-N 2.78Å |
| 233 | L | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | -177.3 | -69.7 | 176.1 | 0 | 0 | 0 | 112.3 | F164 M168 A205 V208 V209 L229 Q235 V236 I237 L244 | F164-L233 HydrophobicContact CB-CD2 3.98Å; F164-L233 HydrophobicContact CD1-CD2 3.92Å; F164-L233 HydrophobicContact CD2-CD2 3.81Å; F164-L233 HydrophobicContact CE1-CD2 4.39Å; F164-L233 HydrophobicContact CE2-CD2 4.27Å; F164-L233 HydrophobicContact CG-CD2 3.63Å; M168-L233 HydrophobicContact CE-CD1 4.48Å; M168-L233 HydrophobicContact CE-CD2 4.1Å; A205-L233 HydrophobicContact CB-CB 4.25Å; A205-L233 HydrophobicContact CB-CD1 4.3Å; V208-L233 HydrophobicContact CB-CD1 4.4Å; V208-L233 HydrophobicContact CG1-CD1 4.24Å; V209-L233 HydrophobicContact CG2-CD1 3.71Å; L229-L233 HydrophobicContact CD1-CD1 3.83Å; L229-L233 HydrophobicContact CD1-CG 4.05Å; L229-L233 HydrophobicContact CG-CD1 4.05Å; L229-L233 WeakPolarHBondContact O-CB 3.44Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.36Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 2.97Å; L233-V236 PolarHBondContact O-N 2.87Å; L233-I237 WeakPolarHBondContact O-CG1 3.36Å; L233-I237 PolarHBondContact O-N 3.32Å; L233-L244 HydrophobicContact CB-CD2 3.91Å |
| 234 | S | 91.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | T230 H231 F232 K238 C239 | T230-S234 VanDerWaalsContact O-CB 3.23Å; T230-S234 WeakPolarHBondContact O-CB 3.39Å; T230-S234 PolarHBondContact O-N 3.49Å; T230-S234 PolarHBondContact O-OG 3.04Å; H231-S234 WeakPolarHBondContact CA-OG 3.43Å; H231-S234 PolarHBondContact O-OG 3.43Å; F232-S234 PolarHBondContact O-N 3.01Å; S234-K238 CarbonylContact O-C 3.6Å; S234-K238 VanDerWaalsContact O-CA 3.29Å; S234-K238 WeakPolarHBondContact O-CA 3.23Å; S234-K238 PolarHBondContact O-N 3.37Å; S234-C239 PolarHBondContact O-N 3.5Å |
| 235 | Q | 90.3 | Very high | 89.2 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 171.9 | -74.4 | -174.9 | -6.6 | 0 | 0 | 112.3 | H231 F232 L233 K238 | H231-Q235 PolarHBondContact CD2-NE2 3.2Å; H231-Q235 PolarHBondContact NE2-NE2 3.5Å; H231-Q235 VanDerWaalsContact O-CG 3.31Å; H231-Q235 WeakPolarHBondContact O-CG 3.38Å; H231-Q235 PolarHBondContact O-N 3.37Å; F232-Q235 PolarHBondContact O-N 3.35Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 2.97Å; Q235-K238 PolarHBondContact O-N 2.9Å |
| 236 | V | 88.9 | Confident | 89.7 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | -179 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | L28 F164 F232 L233 K238 | L28-V236 HydrophobicContact CD2-CG1 3.41Å; L28-V236 VanDerWaalsContact CD2-CG1 3.41Å; F164-V236 HydrophobicContact CD1-CG1 3.96Å; F164-V236 HydrophobicContact CE1-CG1 3.62Å; F232-V236 HydrophobicContact CD2-CG2 4.16Å; F232-V236 HydrophobicContact CE1-CG2 4.18Å; F232-V236 HydrophobicContact CE2-CG2 3.76Å; F232-V236 HydrophobicContact CZ-CG2 3.77Å; F232-V236 WeakPolarHBondContact O-CG2 3.35Å; F232-V236 PolarHBondContact O-N 2.78Å; L233-V236 PolarHBondContact O-N 2.87Å; V236-K238 VanDerWaalsContact C-N 3.34Å |
| 237 | I | 91.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -87.8 | -2.8 | 179.6 | 73.9 | -172.8 | 0 | 0 | 0 | 113.5 | F164 M202 A205 L233 C239 | F164-I237 HydrophobicContact CE1-CG2 3.93Å; F164-I237 HydrophobicContact CZ-CG2 3.48Å; F164-I237 VanDerWaalsContact CZ-CG2 3.48Å; M202-I237 HydrophobicContact SD-CD1 4.32Å; A205-I237 HydrophobicContact CB-CD1 3.7Å; L233-I237 WeakPolarHBondContact O-CG1 3.36Å; L233-I237 PolarHBondContact O-N 3.32Å; I237-C239 VanDerWaalsContact C-N 3.32Å; I237-C239 HydrophobicContact CD1-CB 4.09Å; I237-C239 WeakPolarHBondContact CD1-SG 3.46Å; I237-C239 HydrophobicContact CG1-CB 3.79Å; I237-C239 WeakPolarHBondContact CG1-SG 3.3Å; I237-C239 PolarHBondContact O-N 2.81Å |
| 238 | K | 89.7 | Confident | 90.9 | Very high | 150 Ų | 150 | 47.6 Ų | 47.6 | 65% | 0.652 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 41.4 | -177.6 | -53.9 | 178.8 | -179.3 | 178.8 | 0 | 113.2 | S234 Q235 V236 | S234-K238 CarbonylContact O-C 3.6Å; S234-K238 VanDerWaalsContact O-CA 3.29Å; S234-K238 WeakPolarHBondContact O-CA 3.23Å; S234-K238 PolarHBondContact O-N 3.37Å; Q235-K238 PolarHBondContact O-N 2.9Å; V236-K238 VanDerWaalsContact C-N 3.34Å |
| 239 | C | 91.1 | Very high | 91.2 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | trans | -107.2 | 166.6 | 174.8 | 80.6 | 0 | 0 | 0 | 0 | 111.9 | M202 S234 I237 | M202-C239 HydrophobicContact CE-CB 3.6Å; S234-C239 PolarHBondContact O-N 3.5Å; I237-C239 VanDerWaalsContact C-N 3.32Å; I237-C239 HydrophobicContact CD1-CB 4.09Å; I237-C239 WeakPolarHBondContact CD1-SG 3.46Å; I237-C239 HydrophobicContact CG1-CB 3.79Å; I237-C239 WeakPolarHBondContact CG1-SG 3.3Å; I237-C239 PolarHBondContact O-N 2.81Å | ||
| 240 | D | 91.3 | Very high | 91.6 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | trans | -67.7 | 129.7 | 166.5 | -165.6 | -42.8 | 0 | 0 | 0 | 109.7 | D242 C243 L244 | D240-D242 PolarHBondContact O-N 3Å; D240-D242 WeakPolarHBondContact OD1-CB 3.49Å; D240-D242 PolarHBondContact OD1-N 3.13Å; D240-C243 HydrophobicContact CB-CB 4.29Å; D240-C243 WeakPolarHBondContact O-CB 3.43Å; D240-C243 PolarHBondContact O-N 3.19Å; D240-L244 PolarHBondContact O-N 2.75Å | ||
| 241 | P | 90.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 53 Ų | 53 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -52.7 | -31.6 | 173.2 | -24.4 | 31.3 | 0 | 0 | 0 | 114 | T230 L244 R245 | T230-P241 HydrophobicContact CG2-CB 4.5Å; P241-L244 PolarHBondContact O-N 3.32Å; P241-R245 PolarHBondContact O-N 3.46Å |
| 242 | D | 91.3 | Very high | 92 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.3 | -33.3 | 178.8 | -69.2 | -29.7 | 0 | 0 | 0 | 111.7 | D240 R245 A246 | D240-D242 PolarHBondContact O-N 3Å; D240-D242 WeakPolarHBondContact OD1-CB 3.49Å; D240-D242 PolarHBondContact OD1-N 3.13Å; D242-R245 PolarHBondContact O-N 2.92Å; D242-R245 IonicContact OD1-CZ 2.85Å; D242-R245 IonicContact OD1-NH1 2.88Å; D242-R245 PolarHBondContact OD1-NH1 2.84Å; D242-R245 IonicContact OD1-NH2 3.52Å; D242-A246 WeakPolarHBondContact O-CB 3.41Å; D242-A246 PolarHBondContact O-N 3.46Å |
| 243 | C | 92.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 52 Ų | 52 | 47% | 0.466 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 171 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | M202 D240 A246 C247 | M202-C243 HydrophobicContact CE-CB 3.98Å; D240-C243 HydrophobicContact CB-CB 4.29Å; D240-C243 WeakPolarHBondContact O-CB 3.43Å; D240-C243 PolarHBondContact O-N 3.19Å; C243-A246 PolarHBondContact O-N 3.1Å; C243-C247 WeakPolarHBondContact O-CB 3.44Å; C243-C247 PolarHBondContact O-N 3.2Å |
| 244 | L | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -42 | 176.7 | 178.8 | 56.3 | 0 | 0 | 0 | 111.4 | M202 A205 V209 T230 L233 D240 P241 C247 Q248 | M202-L244 HydrophobicContact SD-CB 4.38Å; M202-L244 HydrophobicContact SD-CD1 4.21Å; A205-L244 HydrophobicContact CB-CD1 3.57Å; A205-L244 HydrophobicContact CB-CD2 4.45Å; V209-L244 HydrophobicContact CG2-CD2 4.43Å; T230-L244 HydrophobicContact CG2-CB 4.46Å; T230-L244 HydrophobicContact CG2-CD2 3.88Å; T230-L244 HydrophobicContact CG2-CG 4.18Å; L233-L244 HydrophobicContact CB-CD2 3.91Å; D240-L244 PolarHBondContact O-N 2.75Å; P241-L244 PolarHBondContact O-N 3.32Å; L244-C247 WeakPolarHBondContact O-CB 3.48Å; L244-C247 PolarHBondContact O-N 3.09Å; L244-Q248 PolarHBondContact O-N 3.47Å |
| 245 | R | 92.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 173.6 | -178.5 | 176.3 | -47.2 | 120.2 | 10.9 | 111.7 | Y226 P241 D242 C247 Q248 E249 | Y226-R245 WeakPolarHBondContact OH-CG 3.38Å; P241-R245 PolarHBondContact O-N 3.46Å; D242-R245 PolarHBondContact O-N 2.92Å; D242-R245 IonicContact OD1-CZ 2.85Å; D242-R245 IonicContact OD1-NH1 2.88Å; D242-R245 PolarHBondContact OD1-NH1 2.84Å; D242-R245 IonicContact OD1-NH2 3.52Å; R245-C247 VanDerWaalsContact C-N 3.27Å; R245-C247 PolarHBondContact O-N 3.24Å; R245-Q248 WeakPolarHBondContact O-CB 3.24Å; R245-Q248 PolarHBondContact O-N 2.98Å; R245-E249 HydrophobicContact CG-CG 4.46Å; R245-E249 WeakPolarHBondContact CG-OE1 3.33Å; R245-E249 WeakPolarHBondContact O-CG 3.36Å; R245-E249 PolarHBondContact O-N 3.39Å |
| 246 | A | 93.1 | Very high | 92.3 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D242 C243 Q250 | D242-A246 WeakPolarHBondContact O-CB 3.41Å; D242-A246 PolarHBondContact O-N 3.46Å; C243-A246 PolarHBondContact O-N 3.1Å; A246-Q250 WeakPolarHBondContact O-CB 3.15Å; A246-Q250 WeakPolarHBondContact O-CG 3.48Å; A246-Q250 PolarHBondContact O-N 3.19Å; A246-Q250 VanDerWaalsContact O-N 3.1Å; A246-Q250 PolarHBondContact O-NE2 3.21Å |
| 247 | C | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | M202 C243 L244 R245 E249 Q250 I251 | M202-C247 HydrophobicContact CG-CB 4.08Å; M202-C247 HydrophobicContact SD-CB 4.06Å; C243-C247 WeakPolarHBondContact O-CB 3.44Å; C243-C247 PolarHBondContact O-N 3.2Å; L244-C247 WeakPolarHBondContact O-CB 3.48Å; L244-C247 PolarHBondContact O-N 3.09Å; R245-C247 VanDerWaalsContact C-N 3.27Å; R245-C247 PolarHBondContact O-N 3.24Å; C247-E249 PolarHBondContact O-N 3.25Å; C247-Q250 WeakPolarHBondContact O-CB 3.19Å; C247-Q250 PolarHBondContact O-N 3.48Å; C247-I251 WeakPolarHBondContact O-CG1 3.44Å; C247-I251 PolarHBondContact O-N 3.1Å |
| 248 | Q | 94.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 176.4 | 177.4 | -142.2 | -17.9 | 0 | 0 | 111.9 | V209 A210 Y226 L244 R245 Q250 I251 E252 | V209-Q248 HydrophobicContact CB-CG 4.45Å; V209-Q248 HydrophobicContact CG1-CG 3.97Å; A210-Q248 HydrophobicContact CB-CG 4.17Å; Y226-Q248 PolarHBondContact OH-OE1 3.24Å; L244-Q248 PolarHBondContact O-N 3.47Å; R245-Q248 WeakPolarHBondContact O-CB 3.24Å; R245-Q248 PolarHBondContact O-N 2.98Å; Q248-Q250 PolarHBondContact O-N 3.33Å; Q248-I251 WeakPolarHBondContact O-CA 3.4Å; Q248-I251 WeakPolarHBondContact O-CB 3.38Å; Q248-I251 PolarHBondContact O-N 3.41Å; Q248-E252 PolarHBondContact NE2-OE1 3.41Å; Q248-E252 PolarHBondContact O-N 3.46Å |
| 249 | E | 93.3 | Very high | 92.2 | Very high | 109 Ų | 109 | 52.9 Ų | 52.9 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 178.8 | -71.1 | 171.5 | -174.5 | 0 | 0 | 111.8 | R245 C247 E252 S253 | R245-E249 HydrophobicContact CG-CG 4.46Å; R245-E249 WeakPolarHBondContact CG-OE1 3.33Å; R245-E249 WeakPolarHBondContact O-CG 3.36Å; R245-E249 PolarHBondContact O-N 3.39Å; C247-E249 PolarHBondContact O-N 3.25Å; E249-E252 PolarHBondContact O-N 3.24Å; E249-S253 VanDerWaalsContact O-CB 3.32Å; E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 3.11Å |
| 250 | Q | 94.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 173.9 | -73.4 | 171.1 | 42 | 0 | 0 | 112.4 | F195 A246 C247 Q248 L254 | F195-Q250 HydrophobicContact CE2-CB 4.43Å; F195-Q250 HydrophobicContact CZ-CB 3.78Å; A246-Q250 WeakPolarHBondContact O-CB 3.15Å; A246-Q250 WeakPolarHBondContact O-CG 3.48Å; A246-Q250 PolarHBondContact O-N 3.19Å; A246-Q250 VanDerWaalsContact O-N 3.1Å; A246-Q250 PolarHBondContact O-NE2 3.21Å; C247-Q250 WeakPolarHBondContact O-CB 3.19Å; C247-Q250 PolarHBondContact O-N 3.48Å; Q248-Q250 PolarHBondContact O-N 3.33Å; Q250-L254 VanDerWaalsContact O-CB 3.27Å; Q250-L254 WeakPolarHBondContact O-CB 3.36Å; Q250-L254 PolarHBondContact O-N 3.19Å |
| 251 | I | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 176.5 | -66.6 | 172.8 | 0 | 0 | 0 | 110.3 | F185 C189 F195 A210 C247 Q248 L254 L255 | F185-I251 HydrophobicContact CB-CG2 3.83Å; F185-I251 HydrophobicContact CD1-CG2 3.65Å; F185-I251 HydrophobicContact CD2-CG2 4.45Å; F185-I251 HydrophobicContact CE1-CG2 4.36Å; F185-I251 HydrophobicContact CG-CG2 3.73Å; C189-I251 VanDerWaalsContact SG-CG1 3.57Å; F195-I251 HydrophobicContact CE1-CD1 4.31Å; F195-I251 HydrophobicContact CE1-CG1 3.67Å; F195-I251 HydrophobicContact CZ-CG1 3.6Å; A210-I251 HydrophobicContact CB-CG2 4.25Å; C247-I251 WeakPolarHBondContact O-CG1 3.44Å; C247-I251 PolarHBondContact O-N 3.1Å; Q248-I251 WeakPolarHBondContact O-CA 3.4Å; Q248-I251 WeakPolarHBondContact O-CB 3.38Å; Q248-I251 PolarHBondContact O-N 3.41Å; I251-L254 WeakPolarHBondContact O-CB 3.17Å; I251-L254 PolarHBondContact O-N 3.29Å; I251-L255 PolarHBondContact O-N 3.48Å |
| 252 | E | 92.6 | Very high | 91.4 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 178.7 | -70.2 | 171.8 | 179 | 0 | 0 | 111.3 | Q248 E249 L254 L255 E256 | Q248-E252 PolarHBondContact NE2-OE1 3.41Å; Q248-E252 PolarHBondContact O-N 3.46Å; E249-E252 PolarHBondContact O-N 3.24Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 2.88Å; E252-L255 WeakPolarHBondContact O-CB 3.33Å; E252-L255 PolarHBondContact O-N 3.05Å; E252-E256 PolarHBondContact O-N 3.03Å |
| 253 | S | 93.6 | Very high | 90.9 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | E249 S257 | E249-S253 VanDerWaalsContact O-CB 3.32Å; E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 3.11Å; S253-S257 PolarHBondContact O-N 2.95Å |
| 254 | L | 92.6 | Very high | 90 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 176.4 | -176.6 | 63 | 0 | 0 | 0 | 110.9 | L188 D192 F195 Q250 I251 E252 E256 S257 S258 | L188-L254 HydrophobicContact CB-CD2 4.16Å; L188-L254 WeakPolarHBondContact O-CD2 3.37Å; D192-L254 HydrophobicContact CB-CD1 3.91Å; D192-L254 HydrophobicContact CB-CD2 3.74Å; F195-L254 HydrophobicContact CD2-CD2 4.4Å; F195-L254 HydrophobicContact CE2-CD2 3.91Å; Q250-L254 VanDerWaalsContact O-CB 3.27Å; Q250-L254 WeakPolarHBondContact O-CB 3.36Å; Q250-L254 PolarHBondContact O-N 3.19Å; I251-L254 WeakPolarHBondContact O-CB 3.17Å; I251-L254 PolarHBondContact O-N 3.29Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 2.88Å; L254-E256 PolarHBondContact O-N 3.02Å; L254-S257 PolarHBondContact O-N 3.11Å; L254-S257 PolarHBondContact O-OG 3.25Å; L254-S258 PolarHBondContact O-N 3.4Å; L254-S258 PolarHBondContact O-OG 3.02Å |
| 255 | L | 91.8 | Very high | 88.5 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 175.4 | 179.2 | 71.4 | 0 | 0 | 0 | 111.3 | F185 L188 I251 E252 S257 S258 L259 | F185-L255 HydrophobicContact CE1-CB 4.44Å; F185-L255 HydrophobicContact CE1-CD1 4.14Å; F185-L255 HydrophobicContact CE1-CD2 3.83Å; F185-L255 HydrophobicContact CE1-CG 4.34Å; F185-L255 HydrophobicContact CZ-CD2 4.35Å; L188-L255 HydrophobicContact CD1-CB 4.48Å; L188-L255 HydrophobicContact CD1-CD1 3.69Å; I251-L255 PolarHBondContact O-N 3.48Å; E252-L255 WeakPolarHBondContact O-CB 3.33Å; E252-L255 PolarHBondContact O-N 3.05Å; L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 3.43Å; L255-S258 PolarHBondContact O-N 3.47Å; L255-L259 HydrophobicContact CD1-CD1 4.42Å; L255-L259 HydrophobicContact CD1-CG 4.45Å; L255-L259 HydrophobicContact CG-CD1 4.07Å; L255-L259 HydrophobicContact CG-CG 4.46Å; L255-L259 WeakPolarHBondContact O-CG 3.18Å; L255-L259 PolarHBondContact O-N 2.68Å |
| 256 | E | 91.3 | Very high | 87 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 178.1 | -73.4 | -176.4 | -174 | 0 | 0 | 112 | E252 L254 L259 R260 | E252-E256 PolarHBondContact O-N 3.03Å; L254-E256 PolarHBondContact O-N 3.02Å; E256-L259 PolarHBondContact O-N 3.08Å; E256-R260 WeakPolarHBondContact O-CG 3.34Å; E256-R260 PolarHBondContact O-N 3.4Å; E256-R260 VanDerWaalsContact O-N 3.09Å |
| 257 | S | 90.4 | Very high | 85.2 | Confident | 41 Ų | 41 | 74 Ų | 74 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.7 | 79.1 | 0 | 0 | 0 | 0 | 112.4 | S253 L254 L255 R260 Q261 | S253-S257 PolarHBondContact O-N 2.95Å; L254-S257 PolarHBondContact O-N 3.11Å; L254-S257 PolarHBondContact O-OG 3.25Å; L255-S257 VanDerWaalsContact C-N 3.28Å; L255-S257 PolarHBondContact O-N 3.43Å; S257-R260 PolarHBondContact O-N 3.3Å; S257-Q261 WeakPolarHBondContact O-CG 3.5Å; S257-Q261 PolarHBondContact O-N 3.24Å |
| 258 | S | 89.2 | Confident | 83.1 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 177.6 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | L254 L255 R260 Q261 A262 | L254-S258 PolarHBondContact O-N 3.4Å; L254-S258 PolarHBondContact O-OG 3.02Å; L255-S258 PolarHBondContact O-N 3.47Å; S258-R260 PolarHBondContact O-N 2.81Å; S258-Q261 PolarHBondContact O-N 2.92Å; S258-A262 PolarHBondContact O-N 2.67Å |
| 259 | L | 88.4 | Confident | 80.9 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.3 | -70.6 | 172.8 | 0 | 0 | 0 | 111.9 | L255 E256 A262 Q263 | L255-L259 HydrophobicContact CD1-CD1 4.42Å; L255-L259 HydrophobicContact CD1-CG 4.45Å; L255-L259 HydrophobicContact CG-CD1 4.07Å; L255-L259 HydrophobicContact CG-CG 4.46Å; L255-L259 WeakPolarHBondContact O-CG 3.18Å; L255-L259 PolarHBondContact O-N 2.68Å; E256-L259 PolarHBondContact O-N 3.08Å; L259-A262 PolarHBondContact O-N 3.08Å; L259-Q263 VanDerWaalsContact O-CG 3.31Å; L259-Q263 WeakPolarHBondContact O-CG 3.32Å; L259-Q263 PolarHBondContact O-N 3.44Å |
| 260 | R | 89.8 | Confident | 78.7 | Confident | 159 Ų | 159 | 79.2 Ų | 79.2 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 174.8 | -71 | 178.4 | -172.2 | -179.2 | 7.2 | 112.2 | E256 S257 S258 Q263 Q264 | E256-R260 WeakPolarHBondContact O-CG 3.34Å; E256-R260 PolarHBondContact O-N 3.4Å; E256-R260 VanDerWaalsContact O-N 3.09Å; S257-R260 PolarHBondContact O-N 3.3Å; S258-R260 PolarHBondContact O-N 2.81Å; R260-Q263 PolarHBondContact O-N 3.48Å; R260-Q264 WeakPolarHBondContact O-CG 3.31Å; R260-Q264 PolarHBondContact O-N 3.13Å |
| 261 | Q | 84.3 | Confident | 76.3 | Confident | 97 Ų | 97 | 79.6 Ų | 79.6 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.5 | -75.8 | 169.7 | 16.1 | 0 | 0 | 111.5 | S257 S258 Q263 Q264 H265 | S257-Q261 WeakPolarHBondContact O-CG 3.5Å; S257-Q261 PolarHBondContact O-N 3.24Å; S258-Q261 PolarHBondContact O-N 2.92Å; Q261-Q263 PolarHBondContact O-N 3.12Å; Q261-Q264 PolarHBondContact O-N 3.41Å; Q261-H265 PolarHBondContact O-N 3.38Å |
| 262 | A | 83.4 | Confident | 73.9 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S258 L259 H265 N266 | S258-A262 PolarHBondContact O-N 2.67Å; L259-A262 PolarHBondContact O-N 3.08Å; A262-H265 PolarHBondContact O-N 3.09Å; A262-N266 PolarHBondContact O-N 3.15Å |
| 263 | Q | 79.8 | Confident | 71.5 | Confident | 127 Ų | 127 | 87.4 Ų | 87.4 | 59% | 0.593 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 176.5 | -73.3 | 171.8 | -11.2 | 0 | 0 | 112.4 | L259 R260 Q261 H265 N266 V267 | L259-Q263 VanDerWaalsContact O-CG 3.31Å; L259-Q263 WeakPolarHBondContact O-CG 3.32Å; L259-Q263 PolarHBondContact O-N 3.44Å; R260-Q263 PolarHBondContact O-N 3.48Å; Q261-Q263 PolarHBondContact O-N 3.12Å; Q263-H265 VanDerWaalsContact C-N 3.35Å; Q263-N266 PolarHBondContact O-N 2.71Å; Q263-V267 WeakPolarHBondContact O-CG2 3.48Å; Q263-V267 PolarHBondContact O-N 3.01Å; Q263-V267 VanDerWaalsContact O-N 3.11Å |
| 264 | Q | 73.1 | Confident | 69.4 | Low | 136 Ų | 136 | 89.1 Ų | 89.1 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 176.9 | -73 | 172.9 | -2.7 | 0 | 0 | 112.1 | R260 Q261 V267 S268 | R260-Q264 WeakPolarHBondContact O-CG 3.31Å; R260-Q264 PolarHBondContact O-N 3.13Å; Q261-Q264 PolarHBondContact O-N 3.41Å; Q264-V267 PolarHBondContact O-N 3.26Å; Q264-S268 WeakPolarHBondContact O-CB 3.35Å; Q264-S268 PolarHBondContact O-N 3.38Å; Q264-S268 PolarHBondContact O-OG 3.35Å |
| 265 | H | 63.8 | Low | 67.2 | Low | 126 Ų | 126 | 95.1 Ų | 95.1 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 176.7 | -159.2 | -83.1 | 0 | 0 | 0 | 111.4 | Q261 A262 Q263 V267 S268 S269 | Q261-H265 PolarHBondContact O-N 3.38Å; A262-H265 PolarHBondContact O-N 3.09Å; Q263-H265 VanDerWaalsContact C-N 3.35Å; H265-V267 PolarHBondContact O-N 3.29Å; H265-S268 WeakPolarHBondContact CA-OG 3.36Å; H265-S268 PolarHBondContact O-N 3.33Å; H265-S268 PolarHBondContact O-OG 2.86Å; H265-S269 WeakPolarHBondContact O-CB 3.46Å; H265-S269 PolarHBondContact O-N 3.43Å; H265-S269 PolarHBondContact O-OG 3.23Å |
| 266 | N | 58.8 | Low | 64.9 | Low | 102 Ų | 102 | 98.3 Ų | 98.3 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.1 | -76.8 | -5.3 | 0 | 0 | 0 | 112.4 | A262 Q263 S268 S269 E270 | A262-N266 PolarHBondContact O-N 3.15Å; Q263-N266 PolarHBondContact O-N 2.71Å; N266-S268 VanDerWaalsContact C-N 3.34Å; N266-S268 PolarHBondContact O-N 3.43Å; N266-S269 PolarHBondContact O-N 3.12Å; N266-E270 WeakPolarHBondContact O-CG 3.46Å; N266-E270 PolarHBondContact O-N 3.29Å |
| 267 | V | 55.5 | Low | 62.6 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Q263 Q264 H265 T271 | Q263-V267 WeakPolarHBondContact O-CG2 3.48Å; Q263-V267 PolarHBondContact O-N 3.01Å; Q263-V267 VanDerWaalsContact O-N 3.11Å; Q264-V267 PolarHBondContact O-N 3.26Å; H265-V267 PolarHBondContact O-N 3.29Å; V267-T271 PolarHBondContact O-N 3.47Å; V267-T271 VanDerWaalsContact O-N 3.08Å; V267-T271 PolarHBondContact O-OG1 3.38Å |
| 268 | S | 49.9 | Very low | 60.5 | Low | 54 Ų | 54 | 102 Ų | 102 | 38% | 0.378 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.4 | -26.5 | 176.7 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | Q264 H265 N266 T271 K272 | Q264-S268 WeakPolarHBondContact O-CB 3.35Å; Q264-S268 PolarHBondContact O-N 3.38Å; Q264-S268 PolarHBondContact O-OG 3.35Å; H265-S268 WeakPolarHBondContact CA-OG 3.36Å; H265-S268 PolarHBondContact O-N 3.33Å; H265-S268 PolarHBondContact O-OG 2.86Å; N266-S268 VanDerWaalsContact C-N 3.34Å; N266-S268 PolarHBondContact O-N 3.43Å; S268-T271 WeakPolarHBondContact CA-OG1 3.47Å; S268-T271 PolarHBondContact O-OG1 3.45Å; S268-K272 PolarHBondContact O-N 3.37Å |
| 269 | S | 49.5 | Very low | 58.4 | Low | 47 Ų | 47 | 107.9 Ų | 107.9 | 33% | 0.329 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.9 | -43 | 175.2 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | H265 N266 K272 T273 | H265-S269 WeakPolarHBondContact O-CB 3.46Å; H265-S269 PolarHBondContact O-N 3.43Å; H265-S269 PolarHBondContact O-OG 3.23Å; N266-S269 PolarHBondContact O-N 3.12Å; S269-K272 PolarHBondContact O-N 3.26Å; S269-T273 PolarHBondContact O-N 3.31Å; S269-T273 VanDerWaalsContact O-N 3.12Å; S269-T273 PolarHBondContact O-OG1 3.12Å; S269-T273 VanDerWaalsContact O-OG1 3.13Å |
| 270 | E | 45.5 | Very low | 56.4 | Low | 131 Ų | 131 | 110.9 Ų | 110.9 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -37.9 | 176.5 | -74.5 | 178.9 | 172.7 | 0 | 0 | 112.5 | N266 T273 V274 | N266-E270 WeakPolarHBondContact O-CG 3.46Å; N266-E270 PolarHBondContact O-N 3.29Å; E270-T273 VanDerWaalsContact CA-OG1 3.29Å; E270-T273 WeakPolarHBondContact CA-OG1 3.31Å; E270-T273 PolarHBondContact O-N 3.18Å; E270-T273 PolarHBondContact O-OG1 2.92Å; E270-V274 VanDerWaalsContact O-CG2 3.31Å; E270-V274 WeakPolarHBondContact O-CG2 3.29Å; E270-V274 PolarHBondContact O-N 2.8Å |
| 271 | T | 45.5 | Very low | 54.2 | Low | 79 Ų | 79 | 107.9 Ų | 107.9 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.5 | -36.1 | 175.8 | 20.1 | 0 | 0 | 0 | 0 | 112.7 | V267 S268 V274 E275 | V267-T271 PolarHBondContact O-N 3.47Å; V267-T271 VanDerWaalsContact O-N 3.08Å; V267-T271 PolarHBondContact O-OG1 3.38Å; S268-T271 WeakPolarHBondContact CA-OG1 3.47Å; S268-T271 PolarHBondContact O-OG1 3.45Å; T271-V274 PolarHBondContact O-N 3.1Å; T271-E275 PolarHBondContact O-N 3.22Å; T271-E275 VanDerWaalsContact O-N 3.15Å |
| 272 | K | 43.3 | Very low | 51.9 | Low | 146 Ų | 146 | 109.1 Ų | 109.1 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.2 | -38.4 | 173.9 | -81.4 | -177.5 | 175 | -178.7 | 0 | 113.1 | S268 S269 V274 E275 D276 | S268-K272 PolarHBondContact O-N 3.37Å; S269-K272 PolarHBondContact O-N 3.26Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 3.37Å; K272-E275 PolarHBondContact O-N 3.37Å; K272-D276 PolarHBondContact O-N 3.04Å; K272-D276 VanDerWaalsContact O-N 3.08Å |
| 273 | T | 42.6 | Very low | 49.7 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.7 | -30.4 | 175.2 | 40.1 | 0 | 0 | 0 | 0 | 113.1 | S269 E270 E277 | S269-T273 PolarHBondContact O-N 3.31Å; S269-T273 VanDerWaalsContact O-N 3.12Å; S269-T273 PolarHBondContact O-OG1 3.12Å; S269-T273 VanDerWaalsContact O-OG1 3.13Å; E270-T273 VanDerWaalsContact CA-OG1 3.29Å; E270-T273 WeakPolarHBondContact CA-OG1 3.31Å; E270-T273 PolarHBondContact O-N 3.18Å; E270-T273 PolarHBondContact O-OG1 2.92Å; T273-E277 PolarHBondContact O-N 3.17Å |
| 274 | V | 48.3 | Very low | 47.7 | Very low | 99 Ų | 99 | 112.8 Ų | 112.8 | 60% | 0.6 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.8 | -32.7 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 112 | E270 T271 K272 A278 | E270-V274 VanDerWaalsContact O-CG2 3.31Å; E270-V274 WeakPolarHBondContact O-CG2 3.29Å; E270-V274 PolarHBondContact O-N 2.8Å; T271-V274 PolarHBondContact O-N 3.1Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 3.37Å; V274-A278 PolarHBondContact O-N 3.21Å |
| 275 | E | 46.1 | Very low | 46.2 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.2 | -38.7 | 174.6 | -73.7 | -178.2 | 167.4 | 0 | 0 | 112.3 | T271 K272 A278 | T271-E275 PolarHBondContact O-N 3.22Å; T271-E275 VanDerWaalsContact O-N 3.15Å; K272-E275 PolarHBondContact O-N 3.37Å; E275-A278 PolarHBondContact O-N 3.32Å |
| 276 | D | 44.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72 | -28.2 | 177 | -80.9 | -22.3 | 0 | 0 | 0 | 113.3 | K272 | K272-D276 PolarHBondContact O-N 3.04Å; K272-D276 VanDerWaalsContact O-N 3.08Å |
| 277 | E | 43.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.4 | -25.4 | 173.1 | -82.5 | -165.2 | 162.4 | 0 | 0 | 113.2 | T273 | T273-E277 PolarHBondContact O-N 3.17Å |
| 278 | A | 45.7 | Very low | 43.9 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.1 | -23.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V274 E275 | V274-A278 PolarHBondContact O-N 3.21Å; E275-A278 PolarHBondContact O-N 3.32Å |
| 279 | D | 43.8 | Very low | 43.5 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -2.5 | -176.2 | -101.4 | -8.3 | 0 | 0 | 0 | 114.4 | ||
| 280 | L | 47.1 | Very low | 43 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 4.7 | -177.2 | -81.7 | 162.6 | 0 | 0 | 0 | 115.7 | ||
| 281 | S | 43.5 | Very low | 42.6 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | -114.9 | 67.7 | 178.8 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 282 | C | 36.9 | Very low | 42.4 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -139.1 | 85.4 | 160.9 | -83.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 283 | T | 36.3 | Very low | 42.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -105 | 114.9 | 157 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 284 | P | 39 | Very low | 42.3 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 114.4 | 173.2 | 20.5 | -9.4 | 0 | 0 | 0 | 109.6 | D286 | P284-D286 PolarHBondContact O-N 3.49Š| ||
| 285 | T | 40.9 | Very low | 42 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 98.2 | 172.3 | -31.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | D | 39.6 | Very low | 41.8 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -122.5 | 94.4 | 169.1 | -139.7 | -5.1 | 0 | 0 | 0 | 108.6 | P284 | P284-D286 PolarHBondContact O-N 3.49Š| ||
| 287 | V | 45.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 93.5 | 174.5 | -174 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 288 | R | 46 | Very low | 41.4 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -120.1 | 114 | 157.8 | -69.7 | -172.8 | 179.1 | -172.4 | 0.8 | 107 | ||||
| 289 | D | 40.1 | Very low | 41.1 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | 166.2 | 105 | 132.7 | -80.2 | -18.7 | 0 | 0 | 0 | 109.8 | ||||
| 290 | V | 40 | Very low | 40.9 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | trans | -115.2 | 116 | 159.6 | 178.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 291 | N | 37 | Very low | 40.4 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -135.7 | 109.8 | 161.8 | -92.8 | -28.8 | 0 | 0 | 0 | 108.7 | ||||
| 292 | I | 40.6 | Very low | 40.1 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 100% | 1.226 | 85% | 0.852 | S | S | * | * | trans | -122.5 | 0 | 141.6 | -63.8 | 178.4 | 0 | 0 | 0 | 105.3 |
Retrieved 292 of 292 residues in 91.1 ms
(Link to these results)