| 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 | L | 38 | Very low | 36.3 | Very low | 229 Ų | 229 | 150.4 Ų | 150.4 | 100% | 1.199 | 80% | 0.8 | S | S | * | * | 0 | 137.1 | 0 | -79.5 | 122.3 | 0 | 0 | 0 | 108.3 | |||||
| 2 | K | 39.5 | Very low | 38 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -71 | 123.8 | 174.4 | -89.7 | 172.7 | 166.2 | 177.8 | 0 | 108.7 | ||||
| 3 | N | 34.4 | Very low | 40.7 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | -107.3 | 105.4 | 151.8 | -82.5 | 9.6 | 0 | 0 | 0 | 106.7 | G5 | N3-G5 PolarHBondContact O-N 2.74Š| ||
| 4 | Q | 36.4 | Very low | 43.2 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | -72.3 | 122.4 | 167.9 | -73.9 | 166.1 | -61.8 | 0 | 0 | 107.3 | Q6 | Q4-Q6 VanDerWaalsContact C-N 3.25Å; Q4-Q6 PolarHBondContact O-N 2.97Å | ||
| 5 | G | 34.1 | Very low | 45.5 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 69% | 0.686 | S | S | * | * | trans | -72.2 | 87 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N3 T7 | N3-G5 PolarHBondContact O-N 2.74Å; G5-T7 PolarHBondContact O-N 3.15Å; G5-T7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | Q | 32.1 | Very low | 47.8 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -72.7 | 98.3 | 161.5 | -73.2 | 175.2 | -76.9 | 0 | 0 | 106.8 | Q4 E8 | Q4-Q6 VanDerWaalsContact C-N 3.25Å; Q4-Q6 PolarHBondContact O-N 2.97Å; Q6-E8 HydrophobicContact CB-CG 4.39Å; Q6-E8 PolarHBondContact O-N 3.34Å | ||
| 7 | T | 32.7 | Very low | 49.8 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 66% | 0.663 | S | S | * | * | trans | -70.5 | 82.9 | 158.9 | 47.6 | 0 | 0 | 0 | 0 | 107.1 | G5 T9 | G5-T7 PolarHBondContact O-N 3.15Å; G5-T7 VanDerWaalsContact O-N 3.15Å; T7-T9 PolarHBondContact O-N 3.46Å | ||
| 8 | E | 33 | Very low | 51.6 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | trans | -61.6 | 108.9 | 164.8 | -68.2 | -175.8 | 155.8 | 0 | 0 | 107 | Q6 H10 | Q6-E8 HydrophobicContact CB-CG 4.39Å; Q6-E8 PolarHBondContact O-N 3.34Å; E8-H10 PolarHBondContact O-N 3.49Å | ||
| 9 | T | 32.9 | Very low | 53 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | trans | -65.7 | 93.2 | 165.4 | 45.9 | 0 | 0 | 0 | 0 | 106.6 | T7 D11 | T7-T9 PolarHBondContact O-N 3.46Å; T9-D11 VanDerWaalsContact C-N 3.32Å; T9-D11 PolarHBondContact O-N 3.41Å | ||
| 10 | H | 38.4 | Very low | 54.2 | Low | 158 Ų | 158 | 119.7 Ų | 119.7 | 73% | 0.731 | 66% | 0.663 | S | S | * | * | trans | -59.6 | 102.1 | 163 | -98.7 | -77 | 0 | 0 | 0 | 107.1 | E8 M12 | E8-H10 PolarHBondContact O-N 3.49Å; H10-M12 PolarHBondContact O-N 3.48Å | ||
| 11 | D | 47.3 | Very low | 55.4 | Low | 149 Ų | 149 | 120.3 Ų | 120.3 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -61.6 | 91.8 | 164.5 | -73.6 | -30.8 | 0 | 0 | 0 | 107.1 | T9 S13 | T9-D11 VanDerWaalsContact C-N 3.32Å; T9-D11 PolarHBondContact O-N 3.41Å; D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | M | 57.4 | Low | 57.6 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | trans | -56.2 | 117.3 | 173.4 | -73.8 | -81 | -68.3 | 0 | 0 | 107.4 | H10 A14 D16 | H10-M12 PolarHBondContact O-N 3.48Å; M12-A14 PolarHBondContact O-N 3.08Å; M12-D16 HydrophobicContact CE-CB 4.33Å | ||
| 13 | S | 73.3 | Confident | 59.8 | Low | 46 Ų | 46 | 104.9 Ų | 104.9 | 32% | 0.322 | 59% | 0.591 | S | S | . | * | trans | -53.1 | 138.7 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | D11 L15 D16 | D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 VanDerWaalsContact O-N 3.14Å; S13-L15 PolarHBondContact O-N 3.14Å; S13-D16 VanDerWaalsContact CB-OD2 3.3Å; S13-D16 WeakPolarHBondContact CB-OD2 3.49Å; S13-D16 PolarHBondContact O-N 3.43Å | ||
| 14 | A | 75.8 | Confident | 62.3 | Low | 10 Ų | 10 | 99.5 Ų | 99.5 | 8% | 0.083 | 56% | 0.564 | C | S | . | * | G | 310 helix | trans | -56.6 | -23.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M12 D26 D29 I30 | M12-A14 PolarHBondContact O-N 3.08Å; A14-D26 HydrophobicContact CB-CB 4.07Å; A14-D29 HydrophobicContact CB-CB 3.94Å; A14-I30 HydrophobicContact CB-CD1 4.31Å; A14-I30 HydrophobicContact CB-CG1 3.76Å |
| 15 | L | 77.6 | Confident | 64.7 | Low | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -71.6 | -23.3 | 172.8 | -71 | 169.8 | 0 | 0 | 0 | 114.9 | S13 I30 | S13-L15 PolarHBondContact O-N 3.14Å; L15-I30 HydrophobicContact CD2-CB 4.47Å; L15-I30 HydrophobicContact CD2-CD1 4.26Å; L15-I30 HydrophobicContact CD2-CG1 3.89Å; L15-I30 HydrophobicContact CD2-CG2 3.87Å; L15-I30 HydrophobicContact CG-CG1 4.08Å |
| 16 | D | 81.6 | Confident | 67.3 | Low | 112 Ų | 112 | 94.7 Ų | 94.7 | 60% | 0.599 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -89.7 | -5.4 | -178 | -62.9 | -39.5 | 0 | 0 | 0 | 112.6 | M12 S13 | M12-D16 HydrophobicContact CE-CB 4.33Å; S13-D16 VanDerWaalsContact CB-OD2 3.3Å; S13-D16 WeakPolarHBondContact CB-OD2 3.49Å; S13-D16 PolarHBondContact O-N 3.43Å |
| 17 | R | 82.6 | Confident | 70.1 | Confident | 100 Ų | 100 | 87.6 Ų | 87.6 | 38% | 0.377 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -78.1 | 144.8 | 179.2 | -64.7 | -165.9 | -170.3 | 166.3 | 15.9 | 111.9 | L22 D26 | R17-L22 HydrophobicContact CB-CD2 4.29Å; R17-D26 IonicContact CZ-OD1 3.15Å; R17-D26 IonicContact CZ-OD2 2.69Å; R17-D26 IonicContact NE-OD1 3.2Å; R17-D26 IonicContact NH1-OD1 3.83Å; R17-D26 PolarHBondContact NH1-OD1 2.81Å; R17-D26 IonicContact NH1-OD2 2.69Å; R17-D26 PolarHBondContact NH1-OD2 2.98Å; R17-D26 IonicContact NH2-OD1 3.65Å; R17-D26 PolarHBondContact NH2-OD1 3.01Å |
| 18 | P | 81.9 | Confident | 72.9 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | trans | -66.6 | 140.9 | 176 | 29.2 | -34.1 | 0 | 0 | 0 | 110.6 | A20 E21 | P18-A20 PolarHBondContact O-N 2.76Å; P18-E21 HydrophobicContact CG-CB 4.05Å; P18-E21 VanDerWaalsContact CG-CD 3.46Å; P18-E21 HydrophobicContact CG-CG 3.93Å; P18-E21 VanDerWaalsContact CG-OE2 3.32Å; P18-E21 WeakPolarHBondContact CG-OE2 3.36Å; P18-E21 PolarHBondContact O-N 2.76Å | ||
| 19 | A | 78.2 | Confident | 75.6 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L22 | A19-L22 HydrophobicContact CB-CD1 4.41Š|
| 20 | A | 77.1 | Confident | 78.3 | Confident | 101 Ų | 101 | 76.3 Ų | 76.3 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P18 | P18-A20 PolarHBondContact O-N 2.76Š|
| 21 | E | 79 | Confident | 80.8 | Confident | 133 Ų | 133 | 68.9 Ų | 68.9 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 1.2 | -176.6 | -62.4 | 172.5 | -170.6 | 0 | 0 | 112.4 | P18 T23 | P18-E21 HydrophobicContact CG-CB 4.05Å; P18-E21 VanDerWaalsContact CG-CD 3.46Å; P18-E21 HydrophobicContact CG-CG 3.93Å; P18-E21 VanDerWaalsContact CG-OE2 3.32Å; P18-E21 WeakPolarHBondContact CG-OE2 3.36Å; P18-E21 PolarHBondContact O-N 2.76Å; E21-T23 PolarHBondContact O-N 2.74Å |
| 22 | L | 84.3 | Confident | 82.7 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | trans | -61.2 | 130.9 | 173.8 | -74.3 | 171.7 | 0 | 0 | 0 | 110.3 | R17 A19 D26 I30 L64 V68 | R17-L22 HydrophobicContact CB-CD2 4.29Å; A19-L22 HydrophobicContact CB-CD1 4.41Å; L22-D26 HydrophobicContact CD2-CB 3.83Å; L22-I30 HydrophobicContact CD2-CD1 4.13Å; L22-L64 HydrophobicContact CD1-CD1 4.3Å; L22-V68 HydrophobicContact CB-CG2 4.02Å; L22-V68 WeakPolarHBondContact O-CG1 3.44Å | ||
| 23 | T | 86.3 | Confident | 84.3 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -102.9 | 165.9 | 171.9 | 68.6 | 0 | 0 | 0 | 0 | 111 | E21 M25 D26 V27 | E21-T23 PolarHBondContact O-N 2.74Å; T23-M25 PolarHBondContact O-N 3.34Å; T23-D26 WeakPolarHBondContact CB-OD2 3.16Å; T23-D26 PolarHBondContact N-OD2 2.82Å; T23-D26 WeakPolarHBondContact O-CB 2.9Å; T23-D26 PolarHBondContact O-N 3.11Å; T23-D26 PolarHBondContact OG1-N 2.93Å; T23-D26 PolarHBondContact OG1-OD2 3.34Å; T23-V27 PolarHBondContact O-N 3.46Å | ||
| 24 | V | 86.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -32.6 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | V27 Y28 E65 V68 | V24-V27 PolarHBondContact O-N 3.19Å; V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 HydrophobicContact CG1-CE1 4.35Å; V24-Y28 HydrophobicContact CG1-CE2 3.75Å; V24-Y28 PolarHBondContact O-N 3.2Å; V24-E65 HydrophobicContact CG1-CG 4.3Å; V24-V68 HydrophobicContact CG2-CG1 4.01Å |
| 25 | M | 86.6 | Confident | 85.7 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 174.7 | -61.1 | -100.8 | 59.1 | 0 | 0 | 111.4 | T23 V27 Y28 D29 | T23-M25 PolarHBondContact O-N 3.34Å; M25-V27 VanDerWaalsContact C-N 3.27Å; M25-V27 PolarHBondContact O-N 3.39Å; M25-Y28 HydrophobicContact CE-CD2 3.87Å; M25-Y28 HydrophobicContact CE-CE2 4.49Å; M25-Y28 WeakPolarHBondContact O-CA 3.29Å; M25-Y28 WeakPolarHBondContact O-CB 3.33Å; M25-Y28 PolarHBondContact O-N 3.45Å; M25-D29 PolarHBondContact O-N 2.96Å |
| 26 | D | 88.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -34 | 179.1 | -57.7 | -47.5 | 0 | 0 | 0 | 112 | A14 R17 L22 T23 Y28 D29 I30 | A14-D26 HydrophobicContact CB-CB 4.07Å; R17-D26 IonicContact CZ-OD1 3.15Å; R17-D26 IonicContact CZ-OD2 2.69Å; R17-D26 IonicContact NE-OD1 3.2Å; R17-D26 IonicContact NH1-OD1 3.83Å; R17-D26 PolarHBondContact NH1-OD1 2.81Å; R17-D26 IonicContact NH1-OD2 2.69Å; R17-D26 PolarHBondContact NH1-OD2 2.98Å; R17-D26 IonicContact NH2-OD1 3.65Å; R17-D26 PolarHBondContact NH2-OD1 3.01Å; L22-D26 HydrophobicContact CD2-CB 3.83Å; T23-D26 WeakPolarHBondContact CB-OD2 3.16Å; T23-D26 PolarHBondContact N-OD2 2.82Å; T23-D26 WeakPolarHBondContact O-CB 2.9Å; T23-D26 PolarHBondContact O-N 3.11Å; T23-D26 PolarHBondContact OG1-N 2.93Å; T23-D26 PolarHBondContact OG1-OD2 3.34Å; D26-Y28 VanDerWaalsContact C-N 3.32Å; D26-Y28 PolarHBondContact O-N 3.46Å; D26-D29 PolarHBondContact O-N 2.87Å; D26-I30 WeakPolarHBondContact O-CB 3.47Å; D26-I30 WeakPolarHBondContact O-CD1 3.27Å; D26-I30 WeakPolarHBondContact O-CG1 3.42Å; D26-I30 PolarHBondContact O-N 3.12Å |
| 27 | V | 90.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | T23 V24 M25 A31 L61 L64 E65 V68 | T23-V27 PolarHBondContact O-N 3.46Å; V24-V27 PolarHBondContact O-N 3.19Å; M25-V27 VanDerWaalsContact C-N 3.27Å; M25-V27 PolarHBondContact O-N 3.39Å; V27-A31 WeakPolarHBondContact O-CB 3.44Å; V27-A31 PolarHBondContact O-N 2.95Å; V27-L61 HydrophobicContact CG1-CD2 4.25Å; V27-L64 HydrophobicContact CG1-CB 4.41Å; V27-L64 HydrophobicContact CG1-CD2 4.23Å; V27-L64 HydrophobicContact CG1-CG 4.38Å; V27-L64 HydrophobicContact CG2-CD2 3.92Å; V27-L64 HydrophobicContact CG2-CG 3.79Å; V27-E65 HydrophobicContact CG1-CB 4.23Å; V27-V68 HydrophobicContact CG2-CG2 4.3Å |
| 28 | Y | 90.5 | Very high | 87 | Confident | 63 Ų | 63 | 54 Ų | 54 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.1 | -36.1 | 174.8 | -59.9 | -29.4 | 0 | 0 | 0 | 112.8 | V24 M25 D26 A31 A32 E65 I360 | V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 HydrophobicContact CG1-CE1 4.35Å; V24-Y28 HydrophobicContact CG1-CE2 3.75Å; V24-Y28 PolarHBondContact O-N 3.2Å; M25-Y28 HydrophobicContact CE-CD2 3.87Å; M25-Y28 HydrophobicContact CE-CE2 4.49Å; M25-Y28 WeakPolarHBondContact O-CA 3.29Å; M25-Y28 WeakPolarHBondContact O-CB 3.33Å; M25-Y28 PolarHBondContact O-N 3.45Å; D26-Y28 VanDerWaalsContact C-N 3.32Å; D26-Y28 PolarHBondContact O-N 3.46Å; Y28-A31 PolarHBondContact O-N 2.84Å; Y28-A32 WeakPolarHBondContact O-CB 3.38Å; Y28-A32 PolarHBondContact O-N 2.84Å; Y28-E65 WeakPolarHBondContact CE1-OE1 3.39Å; Y28-E65 PolarHBondContact OH-OE1 3.36Å; Y28-I360 HydrophobicContact CD1-CD1 3.45Å; Y28-I360 VanDerWaalsContact CD1-CD1 3.45Å; Y28-I360 HydrophobicContact CD1-CG1 4.07Å; Y28-I360 HydrophobicContact CE1-CD1 3.55Å |
| 29 | D | 90.3 | Very high | 87.3 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.7 | -68.7 | -26.4 | 0 | 0 | 0 | 111.2 | A14 M25 D26 A31 A32 V33 | A14-D29 HydrophobicContact CB-CB 3.94Å; M25-D29 PolarHBondContact O-N 2.96Å; D26-D29 PolarHBondContact O-N 2.87Å; D29-A31 VanDerWaalsContact C-N 3.32Å; D29-A31 PolarHBondContact O-N 3.23Å; D29-A32 WeakPolarHBondContact O-CB 3.32Å; D29-A32 PolarHBondContact O-N 3.1Å; D29-V33 WeakPolarHBondContact O-CG2 3.45Å; D29-V33 PolarHBondContact O-N 2.77Å |
| 30 | I | 89.7 | Confident | 87.9 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 170.9 | -69.2 | 164.6 | 0 | 0 | 0 | 110.6 | A14 L15 L22 D26 A32 V33 L34 L61 | A14-I30 HydrophobicContact CB-CD1 4.31Å; A14-I30 HydrophobicContact CB-CG1 3.76Å; L15-I30 HydrophobicContact CD2-CB 4.47Å; L15-I30 HydrophobicContact CD2-CD1 4.26Å; L15-I30 HydrophobicContact CD2-CG1 3.89Å; L15-I30 HydrophobicContact CD2-CG2 3.87Å; L15-I30 HydrophobicContact CG-CG1 4.08Å; L22-I30 HydrophobicContact CD2-CD1 4.13Å; D26-I30 WeakPolarHBondContact O-CB 3.47Å; D26-I30 WeakPolarHBondContact O-CD1 3.27Å; D26-I30 WeakPolarHBondContact O-CG1 3.42Å; D26-I30 PolarHBondContact O-N 3.12Å; I30-A32 VanDerWaalsContact C-N 3.32Å; I30-A32 PolarHBondContact O-N 2.65Å; I30-V33 PolarHBondContact O-N 3.18Å; I30-L34 HydrophobicContact CG2-CD1 3.8Å; I30-L34 HydrophobicContact CG2-CG 4.4Å; I30-L34 WeakPolarHBondContact O-CB 3.3Å; I30-L34 VanDerWaalsContact O-CG 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3.41Å; I30-L61 HydrophobicContact CG2-CD2 4.05Å |
| 31 | A | 91.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V27 Y28 D29 G35 L61 I360 | V27-A31 WeakPolarHBondContact O-CB 3.44Å; V27-A31 PolarHBondContact O-N 2.95Å; Y28-A31 PolarHBondContact O-N 2.84Å; D29-A31 VanDerWaalsContact C-N 3.32Å; D29-A31 PolarHBondContact O-N 3.23Å; A31-G35 PolarHBondContact O-N 3.07Å; A31-L61 HydrophobicContact CB-CD1 3.89Å; A31-I360 HydrophobicContact CB-CG1 4.04Å |
| 32 | A | 87.7 | Confident | 89 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y28 D29 I30 G35 Q36 | Y28-A32 WeakPolarHBondContact O-CB 3.38Å; Y28-A32 PolarHBondContact O-N 2.84Å; D29-A32 WeakPolarHBondContact O-CB 3.32Å; D29-A32 PolarHBondContact O-N 3.1Å; I30-A32 VanDerWaalsContact C-N 3.32Å; I30-A32 PolarHBondContact O-N 2.65Å; A32-G35 PolarHBondContact O-N 3.44Å; A32-Q36 WeakPolarHBondContact O-CG 3.24Å; A32-Q36 PolarHBondContact O-N 3.38Å; A32-Q36 PolarHBondContact O-NE2 3.43Å |
| 33 | V | 89.9 | Confident | 89.3 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 35% | 0.345 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | D29 I30 G35 Q36 E37 | D29-V33 WeakPolarHBondContact O-CG2 3.45Å; D29-V33 PolarHBondContact O-N 2.77Å; I30-V33 PolarHBondContact O-N 3.18Å; V33-G35 VanDerWaalsContact C-N 3.27Å; V33-G35 PolarHBondContact O-N 2.84Å; V33-Q36 PolarHBondContact O-N 2.88Å; V33-Q36 VanDerWaalsContact O-N 3.16Å; V33-E37 PolarHBondContact O-N 2.67Å; V33-E37 VanDerWaalsContact O-N 3.07Å |
| 34 | L | 89.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 56 Ų | 56 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -37.9 | 175.3 | -72.9 | 170.1 | 0 | 0 | 0 | 112.2 | I30 E37 F38 V57 L61 | I30-L34 HydrophobicContact CG2-CD1 3.8Å; I30-L34 HydrophobicContact CG2-CG 4.4Å; I30-L34 WeakPolarHBondContact O-CB 3.3Å; I30-L34 VanDerWaalsContact O-CG 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3.41Å; L34-E37 PolarHBondContact O-N 2.7Å; L34-F38 HydrophobicContact CB-CE2 4.1Å; L34-F38 WeakPolarHBondContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CG 3.47Å; L34-F38 PolarHBondContact O-N 2.84Å; L34-V57 HydrophobicContact CD1-CG1 4.12Å; L34-L61 HydrophobicContact CD1-CD1 4.16Å; L34-L61 HydrophobicContact CD1-CD2 4.25Å |
| 35 | G | 88.8 | Confident | 89.6 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A31 A32 V33 E37 F38 E39 L363 | A31-G35 PolarHBondContact O-N 3.07Å; A32-G35 PolarHBondContact O-N 3.44Å; V33-G35 VanDerWaalsContact C-N 3.27Å; V33-G35 PolarHBondContact O-N 2.84Å; G35-E37 VanDerWaalsContact C-N 3.33Å; G35-F38 PolarHBondContact O-N 3.45Å; G35-E39 WeakPolarHBondContact O-CB 3.46Å; G35-E39 PolarHBondContact O-N 3.14Å; G35-L363 VanDerWaalsContact CA-CD1 3.45Å |
| 36 | Q | 88.6 | Confident | 89.5 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.3 | -31.8 | 176 | -66.3 | 168.2 | 44.4 | 0 | 0 | 112.5 | A32 V33 R40 | A32-Q36 WeakPolarHBondContact O-CG 3.24Å; A32-Q36 PolarHBondContact O-N 3.38Å; A32-Q36 PolarHBondContact O-NE2 3.43Å; V33-Q36 PolarHBondContact O-N 2.88Å; V33-Q36 VanDerWaalsContact O-N 3.16Å; Q36-R40 WeakPolarHBondContact O-CB 3.43Å; Q36-R40 WeakPolarHBondContact O-CG 3.3Å; Q36-R40 PolarHBondContact O-N 3.17Å; Q36-R40 PolarHBondContact O-NE 2.95Å; Q36-R40 VanDerWaalsContact O-NE 3.08Å |
| 37 | E | 90 | Very high | 89.2 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 170.8 | -67.6 | -58.3 | 141.9 | 0 | 0 | 111.3 | V33 L34 G35 R40 V41 | V33-E37 PolarHBondContact O-N 2.67Å; V33-E37 VanDerWaalsContact O-N 3.07Å; L34-E37 PolarHBondContact O-N 2.7Å; G35-E37 VanDerWaalsContact C-N 3.33Å; E37-R40 VanDerWaalsContact CD-NH2 3.32Å; E37-R40 PolarHBondContact O-N 2.87Å; E37-R40 IonicContact OE1-CZ 3.1Å; E37-R40 IonicContact OE1-NH1 3.98Å; E37-R40 PolarHBondContact OE1-NH1 3.44Å; E37-R40 IonicContact OE1-NH2 3.89Å; E37-R40 PolarHBondContact OE1-NH2 3.22Å; E37-R40 IonicContact OE2-CZ 3.16Å; E37-R40 IonicContact OE2-NH1 2.65Å; E37-R40 PolarHBondContact OE2-NH1 3.06Å; E37-R40 IonicContact OE2-NH2 3.4Å; E37-V41 WeakPolarHBondContact O-CG2 3.36Å; E37-V41 PolarHBondContact O-N 2.91Å; E37-V41 VanDerWaalsContact O-N 3.14Å |
| 38 | F | 90.9 | Very high | 89 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.9 | -65.8 | -47.2 | 0 | 0 | 0 | 112.4 | L34 G35 R40 V41 I42 L50 V54 V57 L363 | L34-F38 HydrophobicContact CB-CE2 4.1Å; L34-F38 WeakPolarHBondContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CG 3.47Å; L34-F38 PolarHBondContact O-N 2.84Å; G35-F38 PolarHBondContact O-N 3.45Å; F38-R40 PolarHBondContact O-N 3.33Å; F38-V41 PolarHBondContact O-N 3.32Å; F38-V41 VanDerWaalsContact O-N 3.08Å; F38-I42 WeakPolarHBondContact O-CG1 3.41Å; F38-I42 PolarHBondContact O-N 3.05Å; F38-L50 HydrophobicContact CB-CD1 4.23Å; F38-L50 HydrophobicContact CD1-CD1 4.05Å; F38-L50 HydrophobicContact CD1-CD2 3.78Å; F38-L50 HydrophobicContact CE1-CD2 4.06Å; F38-V54 HydrophobicContact CD1-CG2 4.25Å; F38-V54 HydrophobicContact CD2-CG2 4.19Å; F38-V54 HydrophobicContact CE1-CG2 4.47Å; F38-V54 HydrophobicContact CE2-CG2 4.4Å; F38-V54 HydrophobicContact CG-CG2 4.13Å; F38-V57 HydrophobicContact CE2-CB 4.48Å; F38-V57 HydrophobicContact CE2-CG1 4.05Å; F38-V57 HydrophobicContact CZ-CB 4.28Å; F38-V57 HydrophobicContact CZ-CG1 4.07Å; F38-V57 HydrophobicContact CZ-CG2 4.08Å; F38-L363 HydrophobicContact CD2-CD1 3.86Å; F38-L363 HydrophobicContact CE2-CD1 4.49Å |
| 39 | E | 87.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.6 | -53.1 | 172.3 | -177.7 | 172.3 | -148.9 | 0 | 0 | 111.1 | G35 V41 I42 D43 T366 | G35-E39 WeakPolarHBondContact O-CB 3.46Å; G35-E39 PolarHBondContact O-N 3.14Å; E39-V41 PolarHBondContact O-N 3.12Å; E39-V41 VanDerWaalsContact O-N 3.12Å; E39-I42 PolarHBondContact O-N 2.77Å; E39-D43 PolarHBondContact O-N 3.13Å; E39-T366 HydrophobicContact CB-CG2 3.68Å; E39-T366 HydrophobicContact CG-CG2 3.47Å; E39-T366 VanDerWaalsContact CG-CG2 3.47Å; E39-T366 VanDerWaalsContact OE1-CG2 3.25Å; E39-T366 WeakPolarHBondContact OE1-CG2 3.36Å |
| 40 | R | 91.5 | Very high | 88.5 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -18.2 | 178.5 | -78.7 | -178.6 | -85 | 119.3 | -11.9 | 115.1 | Q36 E37 F38 K44 | Q36-R40 WeakPolarHBondContact O-CB 3.43Å; Q36-R40 WeakPolarHBondContact O-CG 3.3Å; Q36-R40 PolarHBondContact O-N 3.17Å; Q36-R40 PolarHBondContact O-NE 2.95Å; Q36-R40 VanDerWaalsContact O-NE 3.08Å; E37-R40 VanDerWaalsContact CD-NH2 3.32Å; E37-R40 PolarHBondContact O-N 2.87Å; E37-R40 IonicContact OE1-CZ 3.1Å; E37-R40 IonicContact OE1-NH1 3.98Å; E37-R40 PolarHBondContact OE1-NH1 3.44Å; E37-R40 IonicContact OE1-NH2 3.89Å; E37-R40 PolarHBondContact OE1-NH2 3.22Å; E37-R40 IonicContact OE2-CZ 3.16Å; E37-R40 IonicContact OE2-NH1 2.65Å; E37-R40 PolarHBondContact OE2-NH1 3.06Å; E37-R40 IonicContact OE2-NH2 3.4Å; F38-R40 PolarHBondContact O-N 3.33Å; R40-K44 WeakPolarHBondContact O-CD 3.29Å; R40-K44 WeakPolarHBondContact O-CG 3.37Å |
| 41 | V | 89.2 | Confident | 88.2 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -86.2 | -42.4 | 171.3 | 172 | 0 | 0 | 0 | 0 | 110.7 | E37 F38 E39 D43 K44 F45 L50 | E37-V41 WeakPolarHBondContact O-CG2 3.36Å; E37-V41 PolarHBondContact O-N 2.91Å; E37-V41 VanDerWaalsContact O-N 3.14Å; F38-V41 PolarHBondContact O-N 3.32Å; F38-V41 VanDerWaalsContact O-N 3.08Å; E39-V41 PolarHBondContact O-N 3.12Å; E39-V41 VanDerWaalsContact O-N 3.12Å; V41-D43 VanDerWaalsContact C-N 3.33Å; V41-D43 PolarHBondContact O-N 3.48Å; V41-K44 PolarHBondContact O-N 3.43Å; V41-F45 HydrophobicContact CG1-CD2 4.19Å; V41-F45 PolarHBondContact O-N 3.41Å; V41-L50 HydrophobicContact CB-CD1 4.04Å; V41-L50 HydrophobicContact CG1-CD1 3.81Å; V41-L50 HydrophobicContact CG1-CG 4.24Å |
| 42 | I | 88.6 | Confident | 87.9 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 175.3 | -68.4 | 169.5 | 0 | 0 | 0 | 110.3 | F38 E39 K44 G46 C47 L50 A367 M371 | F38-I42 WeakPolarHBondContact O-CG1 3.41Å; F38-I42 PolarHBondContact O-N 3.05Å; E39-I42 PolarHBondContact O-N 2.77Å; I42-K44 PolarHBondContact O-N 2.73Å; I42-K44 VanDerWaalsContact O-N 3.14Å; I42-G46 VanDerWaalsContact O-CA 3.29Å; I42-G46 WeakPolarHBondContact O-CA 3.48Å; I42-G46 PolarHBondContact O-N 3.11Å; I42-C47 HydrophobicContact CG1-CB 4.14Å; I42-C47 HydrophobicContact CG2-CB 4.04Å; I42-L50 HydrophobicContact CD1-CD1 4.36Å; I42-L50 HydrophobicContact CG1-CD1 3.73Å; I42-A367 HydrophobicContact CD1-CB 3.85Å; I42-M371 HydrophobicContact CD1-SD 4.46Å |
| 43 | D | 91.4 | Very high | 87.9 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 66% | 0.658 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.3 | -27.7 | 179.9 | -70 | -20.9 | 0 | 0 | 0 | 114 | E39 V41 | E39-D43 PolarHBondContact O-N 3.13Å; V41-D43 VanDerWaalsContact C-N 3.33Å; V41-D43 PolarHBondContact O-N 3.48Å |
| 44 | K | 91.3 | Very high | 87.8 | Confident | 152 Ų | 152 | 65.5 Ų | 65.5 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -104.4 | -32.1 | -171.8 | -68 | 178.1 | -172.3 | 170.9 | 0 | 114.1 | R40 V41 I42 | R40-K44 WeakPolarHBondContact O-CD 3.29Å; R40-K44 WeakPolarHBondContact O-CG 3.37Å; V41-K44 PolarHBondContact O-N 3.43Å; I42-K44 PolarHBondContact O-N 2.73Å; I42-K44 VanDerWaalsContact O-N 3.14Å |
| 45 | F | 88.1 | Confident | 87.7 | Confident | 150 Ų | 150 | 66.5 Ų | 66.5 | 66% | 0.658 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -124.7 | -1.2 | -170.6 | -60.7 | -76.9 | 0 | 0 | 0 | 113.4 | V41 | V41-F45 HydrophobicContact CG1-CD2 4.19Å; V41-F45 PolarHBondContact O-N 3.41Å |
| 46 | G | 84.8 | Confident | 87.9 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | 75.5 | 166.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112 | I42 | I42-G46 VanDerWaalsContact O-CA 3.29Å; I42-G46 WeakPolarHBondContact O-CA 3.48Å; I42-G46 PolarHBondContact O-N 3.11Å | ||
| 47 | C | 80.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -85.4 | -14.6 | -170.9 | 66.8 | 0 | 0 | 0 | 0 | 114.8 | I42 C49 L50 M371 L376 | I42-C47 HydrophobicContact CG1-CB 4.14Å; I42-C47 HydrophobicContact CG2-CB 4.04Å; C47-C49 VanDerWaalsContact C-N 3.27Å; C47-C49 PolarHBondContact O-N 3.27Å; C47-L50 PolarHBondContact O-N 3Å; C47-M371 HydrophobicContact CB-CG 3.39Å; C47-M371 HydrophobicContact CB-SD 4.07Å; C47-L376 VanDerWaalsContact SG-CD1 3.52Å |
| 48 | E | 86.8 | Confident | 88.1 | Confident | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -55.8 | -38.2 | -177.7 | -61.8 | -165.3 | 176.7 | 0 | 0 | 113.1 | L50 V51 L376 | E48-L50 PolarHBondContact O-N 3.08Å; E48-L50 VanDerWaalsContact O-N 3.16Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-L376 HydrophobicContact CG-CD1 3.69Å; E48-L376 HydrophobicContact CG-CD2 4.03Å |
| 49 | C | 83.2 | Confident | 88.2 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -65.2 | -18 | -179.5 | -58.8 | 0 | 0 | 0 | 0 | 114 | C47 | C47-C49 VanDerWaalsContact C-N 3.27Å; C47-C49 PolarHBondContact O-N 3.27Å |
| 50 | L | 86.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -107.1 | -8.1 | -174.1 | -72.4 | 173.6 | 0 | 0 | 0 | 114.2 | F38 V41 I42 C47 E48 G52 V53 V54 M371 | F38-L50 HydrophobicContact CB-CD1 4.23Å; F38-L50 HydrophobicContact CD1-CD1 4.05Å; F38-L50 HydrophobicContact CD1-CD2 3.78Å; F38-L50 HydrophobicContact CE1-CD2 4.06Å; V41-L50 HydrophobicContact CB-CD1 4.04Å; V41-L50 HydrophobicContact CG1-CD1 3.81Å; V41-L50 HydrophobicContact CG1-CG 4.24Å; I42-L50 HydrophobicContact CD1-CD1 4.36Å; I42-L50 HydrophobicContact CG1-CD1 3.73Å; C47-L50 PolarHBondContact O-N 3Å; E48-L50 PolarHBondContact O-N 3.08Å; E48-L50 VanDerWaalsContact O-N 3.16Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 3.28Å; L50-V53 HydrophobicContact CD2-CB 4.43Å; L50-V53 PolarHBondContact O-N 3.35Å; L50-V54 HydrophobicContact CB-CG2 4.03Å; L50-V54 PolarHBondContact O-N 2.68Å; L50-M371 HydrophobicContact CB-CE 4.27Å |
| 51 | V | 84.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 73.4 Ų | 73.4 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -46.1 | -177.7 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | E48 P55 M371 L376 I377 | E48-V51 PolarHBondContact O-N 2.9Å; V51-P55 VanDerWaalsContact O-CD 3.25Å; V51-P55 WeakPolarHBondContact O-CD 3.47Å; V51-M371 HydrophobicContact CB-CE 3.97Å; V51-M371 HydrophobicContact CG2-CE 3.53Å; V51-M371 VanDerWaalsContact N-CE 3.29Å; V51-L376 HydrophobicContact CG2-CB 4.1Å; V51-I377 HydrophobicContact CG1-CG1 4.15Å |
| 52 | G | 85.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 47% | 0.474 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L50 R56 | L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 3.28Å; G52-R56 VanDerWaalsContact O-CD 3.26Å; G52-R56 WeakPolarHBondContact O-CD 3.43Å; G52-R56 WeakPolarHBondContact O-CG 3.45Å; G52-R56 PolarHBondContact O-NE 3.12Å |
| 53 | V | 88.9 | Confident | 88.5 | Confident | 66 Ų | 66 | 79 Ų | 79 | 40% | 0.4 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -50.7 | -168.8 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | L50 R56 V57 | L50-V53 HydrophobicContact CD2-CB 4.43Å; L50-V53 PolarHBondContact O-N 3.35Å; V53-R56 WeakPolarHBondContact O-CB 3.43Å; V53-R56 PolarHBondContact O-N 2.81Å; V53-V57 HydrophobicContact CG1-CG2 4.07Å; V53-V57 PolarHBondContact O-N 2.88Å |
| 54 | V | 87.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56 | -46.4 | -175.2 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | F38 L50 R56 V57 V58 I368 | F38-V54 HydrophobicContact CD1-CG2 4.25Å; F38-V54 HydrophobicContact CD2-CG2 4.19Å; F38-V54 HydrophobicContact CE1-CG2 4.47Å; F38-V54 HydrophobicContact CE2-CG2 4.4Å; F38-V54 HydrophobicContact CG-CG2 4.13Å; L50-V54 HydrophobicContact CB-CG2 4.03Å; L50-V54 PolarHBondContact O-N 2.68Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.32Å; V54-V57 PolarHBondContact O-N 3.35Å; V54-V57 VanDerWaalsContact O-N 3.16Å; V54-V58 HydrophobicContact CG1-CG2 4.43Å; V54-V58 WeakPolarHBondContact O-CG2 3.47Å; V54-V58 PolarHBondContact O-N 3.16Å; V54-I368 HydrophobicContact CG1-CD1 4.12Å; V54-I368 HydrophobicContact CG1-CG1 3.92Å |
| 55 | P | 88.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -31.9 | 177.2 | -23.6 | 35 | 0 | 0 | 0 | 113.6 | V51 R59 | V51-P55 VanDerWaalsContact O-CD 3.25Å; V51-P55 WeakPolarHBondContact O-CD 3.47Å; P55-R59 WeakPolarHBondContact O-CB 3.39Å; P55-R59 PolarHBondContact O-N 3.18Å; P55-R59 VanDerWaalsContact O-N 3.07Å |
| 56 | R | 92.5 | Very high | 88.1 | Confident | 191 Ų | 191 | 66.6 Ų | 66.6 | 72% | 0.721 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.5 | -37.6 | 177.2 | -60.5 | -178.4 | -175.6 | -147.8 | -2.2 | 111.6 | G52 V53 V54 R59 V60 | G52-R56 VanDerWaalsContact O-CD 3.26Å; G52-R56 WeakPolarHBondContact O-CD 3.43Å; G52-R56 WeakPolarHBondContact O-CG 3.45Å; G52-R56 PolarHBondContact O-NE 3.12Å; V53-R56 WeakPolarHBondContact O-CB 3.43Å; V53-R56 PolarHBondContact O-N 2.81Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.32Å; R56-R59 PolarHBondContact O-N 3.43Å; R56-V60 WeakPolarHBondContact O-CG2 3.28Å; R56-V60 PolarHBondContact O-N 2.93Å |
| 57 | V | 92.6 | Very high | 88 | Confident | 37 Ų | 37 | 70.6 Ų | 70.6 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | L34 F38 V53 V54 R59 V60 L61 | L34-V57 HydrophobicContact CD1-CG1 4.12Å; F38-V57 HydrophobicContact CE2-CB 4.48Å; F38-V57 HydrophobicContact CE2-CG1 4.05Å; F38-V57 HydrophobicContact CZ-CB 4.28Å; F38-V57 HydrophobicContact CZ-CG1 4.07Å; F38-V57 HydrophobicContact CZ-CG2 4.08Å; V53-V57 HydrophobicContact CG1-CG2 4.07Å; V53-V57 PolarHBondContact O-N 2.88Å; V54-V57 PolarHBondContact O-N 3.35Å; V54-V57 VanDerWaalsContact O-N 3.16Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.5Å; V57-V60 PolarHBondContact O-N 3.36Å; V57-V60 VanDerWaalsContact O-N 3.14Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.29Å |
| 58 | V | 90.3 | Very high | 88.2 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.4 | -47 | 170.9 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | V54 V60 L61 E62 L363 | V54-V58 HydrophobicContact CG1-CG2 4.43Å; V54-V58 WeakPolarHBondContact O-CG2 3.47Å; V54-V58 PolarHBondContact O-N 3.16Å; V58-V60 VanDerWaalsContact C-N 3.3Å; V58-V60 PolarHBondContact O-N 3.4Å; V58-L61 WeakPolarHBondContact O-CB 3.37Å; V58-L61 PolarHBondContact O-N 2.97Å; V58-L61 VanDerWaalsContact O-N 3.1Å; V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.46Å; V58-E62 PolarHBondContact O-N 3.01Å; V58-L363 HydrophobicContact CG2-CD2 4Å |
| 59 | R | 92.4 | Very high | 87.7 | Confident | 136 Ų | 136 | 66 Ų | 66 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -33 | 177.9 | -171 | 52.8 | 162.2 | -164.2 | -2.9 | 114.2 | P55 R56 V57 E62 F63 | P55-R59 WeakPolarHBondContact O-CB 3.39Å; P55-R59 PolarHBondContact O-N 3.18Å; P55-R59 VanDerWaalsContact O-N 3.07Å; R56-R59 PolarHBondContact O-N 3.43Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.5Å; R59-E62 WeakPolarHBondContact CD-OE2 3.38Å; R59-E62 IonicContact CZ-OE2 3.18Å; R59-E62 IonicContact NE-OE2 2.7Å; R59-E62 IonicContact NH1-OE2 3.34Å; R59-E62 PolarHBondContact NH1-OE2 2.93Å; R59-F63 HydrophobicContact CG-CE2 4.01Å; R59-F63 HydrophobicContact CG-CZ 4.02Å; R59-F63 WeakPolarHBondContact O-CD2 3.27Å; R59-F63 VanDerWaalsContact O-CG 3.31Å; R59-F63 WeakPolarHBondContact O-CG 3.42Å; R59-F63 PolarHBondContact O-N 2.87Å |
| 60 | V | 93.9 | Very high | 87.1 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72 | -38.5 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | R56 V57 V58 F63 L64 | R56-V60 WeakPolarHBondContact O-CG2 3.28Å; R56-V60 PolarHBondContact O-N 2.93Å; V57-V60 PolarHBondContact O-N 3.36Å; V57-V60 VanDerWaalsContact O-N 3.14Å; V58-V60 VanDerWaalsContact C-N 3.3Å; V58-V60 PolarHBondContact O-N 3.4Å; V60-F63 PolarHBondContact O-N 2.75Å; V60-L64 PolarHBondContact O-N 3.41Å |
| 61 | L | 92 | Very high | 86.2 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -41 | 174.8 | -67.5 | 165.6 | 0 | 0 | 0 | 111.7 | V27 I30 A31 L34 V57 V58 F63 L64 E65 | V27-L61 HydrophobicContact CG1-CD2 4.25Å; I30-L61 HydrophobicContact CG2-CD2 4.05Å; A31-L61 HydrophobicContact CB-CD1 3.89Å; L34-L61 HydrophobicContact CD1-CD1 4.16Å; L34-L61 HydrophobicContact CD1-CD2 4.25Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.29Å; V58-L61 WeakPolarHBondContact O-CB 3.37Å; V58-L61 PolarHBondContact O-N 2.97Å; V58-L61 VanDerWaalsContact O-N 3.1Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.34Å; L61-E65 WeakPolarHBondContact O-CB 3.3Å; L61-E65 PolarHBondContact O-N 3.22Å |
| 62 | E | 89.9 | Confident | 85.1 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 171.7 | -71.6 | 173 | 178.6 | 0 | 0 | 112.2 | V58 R59 A66 | V58-E62 HydrophobicContact CG1-CG 4.44Å; V58-E62 WeakPolarHBondContact O-CG 3.46Å; V58-E62 PolarHBondContact O-N 3.01Å; R59-E62 WeakPolarHBondContact CD-OE2 3.38Å; R59-E62 IonicContact CZ-OE2 3.18Å; R59-E62 IonicContact NE-OE2 2.7Å; R59-E62 IonicContact NH1-OE2 3.34Å; R59-E62 PolarHBondContact NH1-OE2 2.93Å; E62-A66 VanDerWaalsContact O-CB 3.31Å; E62-A66 WeakPolarHBondContact O-CB 3.38Å; E62-A66 PolarHBondContact O-N 3.5Å |
| 63 | F | 88.6 | Confident | 84.2 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68 | -38 | 176.1 | -67.9 | -26.7 | 0 | 0 | 0 | 112.2 | R59 V60 L61 A66 L67 | R59-F63 HydrophobicContact CG-CE2 4.01Å; R59-F63 HydrophobicContact CG-CZ 4.02Å; R59-F63 WeakPolarHBondContact O-CD2 3.27Å; R59-F63 VanDerWaalsContact O-CG 3.31Å; R59-F63 WeakPolarHBondContact O-CG 3.42Å; R59-F63 PolarHBondContact O-N 2.87Å; V60-F63 PolarHBondContact O-N 2.75Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.47Å; F63-A66 PolarHBondContact O-N 3.27Å; F63-L67 WeakPolarHBondContact O-CB 3.39Å; F63-L67 WeakPolarHBondContact O-CD1 3.44Å; F63-L67 VanDerWaalsContact O-CG 3.24Å; F63-L67 WeakPolarHBondContact O-CG 3.17Å; F63-L67 PolarHBondContact O-N 3.04Å |
| 64 | L | 88.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 176.5 | -173.8 | 62.4 | 0 | 0 | 0 | 111 | L22 V27 V60 L61 A66 L67 V68 | L22-L64 HydrophobicContact CD1-CD1 4.3Å; V27-L64 HydrophobicContact CG1-CB 4.41Å; V27-L64 HydrophobicContact CG1-CD2 4.23Å; V27-L64 HydrophobicContact CG1-CG 4.38Å; V27-L64 HydrophobicContact CG2-CD2 3.92Å; V27-L64 HydrophobicContact CG2-CG 3.79Å; V60-L64 PolarHBondContact O-N 3.41Å; L61-L64 PolarHBondContact O-N 3.34Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 3.09Å; L64-L67 PolarHBondContact O-N 2.85Å; L64-V68 HydrophobicContact CD1-CG2 4.22Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CB 3.41Å; L64-V68 VanDerWaalsContact O-CG2 3.31Å; L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 2.9Å |
| 65 | E | 87.9 | Confident | 83.2 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 173.4 | -178.3 | 178.7 | -164.7 | 0 | 0 | 111.5 | V24 V27 Y28 L61 L67 V68 G69 | V24-E65 HydrophobicContact CG1-CG 4.3Å; V27-E65 HydrophobicContact CG1-CB 4.23Å; Y28-E65 WeakPolarHBondContact CE1-OE1 3.39Å; Y28-E65 PolarHBondContact OH-OE1 3.36Å; L61-E65 WeakPolarHBondContact O-CB 3.3Å; L61-E65 PolarHBondContact O-N 3.22Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.05Å; E65-V68 PolarHBondContact O-N 3.46Å; E65-G69 PolarHBondContact O-N 3.49Å |
| 66 | A | 84.9 | Confident | 82.9 | Confident | 53 Ų | 53 | 79 Ų | 79 | 44% | 0.438 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.9 | -30.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E62 F63 L64 R70 | E62-A66 VanDerWaalsContact O-CB 3.31Å; E62-A66 WeakPolarHBondContact O-CB 3.38Å; E62-A66 PolarHBondContact O-N 3.5Å; F63-A66 PolarHBondContact O-N 3.27Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 3.09Å; A66-R70 WeakPolarHBondContact O-CB 3.32Å; A66-R70 WeakPolarHBondContact O-CD 3.33Å; A66-R70 WeakPolarHBondContact O-CG 3.47Å; A66-R70 PolarHBondContact O-N 2.97Å |
| 67 | L | 83.5 | Confident | 82.5 | Confident | 117 Ų | 117 | 72 Ų | 72 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -78 | -40.6 | 175.8 | -72.8 | 165.9 | 0 | 0 | 0 | 111.7 | F63 L64 E65 R70 | F63-L67 WeakPolarHBondContact O-CB 3.39Å; F63-L67 WeakPolarHBondContact O-CD1 3.44Å; F63-L67 VanDerWaalsContact O-CG 3.24Å; F63-L67 WeakPolarHBondContact O-CG 3.17Å; F63-L67 PolarHBondContact O-N 3.04Å; L64-L67 PolarHBondContact O-N 2.85Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.05Å; L67-R70 WeakPolarHBondContact O-CB 3.44Å; L67-R70 PolarHBondContact O-N 2.96Å |
| 68 | V | 83.9 | Confident | 82.2 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 16% | 0.158 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.1 | -41.7 | 178.1 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L22 V24 V27 L64 E65 R70 G71 | L22-V68 HydrophobicContact CB-CG2 4.02Å; L22-V68 WeakPolarHBondContact O-CG1 3.44Å; V24-V68 HydrophobicContact CG2-CG1 4.01Å; V27-V68 HydrophobicContact CG2-CG2 4.3Å; L64-V68 HydrophobicContact CD1-CG2 4.22Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CB 3.41Å; L64-V68 VanDerWaalsContact O-CG2 3.31Å; L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 2.9Å; E65-V68 PolarHBondContact O-N 3.46Å; V68-R70 PolarHBondContact O-N 3.38Å; V68-G71 WeakPolarHBondContact O-CA 3.41Å; V68-G71 PolarHBondContact O-N 2.94Å |
| 69 | G | 77.3 | Confident | 82.1 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.9 | -24.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | E65 G71 | E65-G69 PolarHBondContact O-N 3.49Å; G69-G71 PolarHBondContact O-N 3.33Å |
| 70 | R | 70.9 | Confident | 82.2 | Confident | 182 Ų | 182 | 77.6 Ų | 77.6 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -1.3 | 168.1 | -79.9 | 173.3 | 179.7 | -170.7 | 0.4 | 113.9 | A66 L67 V68 A72 A73 | A66-R70 WeakPolarHBondContact O-CB 3.32Å; A66-R70 WeakPolarHBondContact O-CD 3.33Å; A66-R70 WeakPolarHBondContact O-CG 3.47Å; A66-R70 PolarHBondContact O-N 2.97Å; L67-R70 WeakPolarHBondContact O-CB 3.44Å; L67-R70 PolarHBondContact O-N 2.96Å; V68-R70 PolarHBondContact O-N 3.38Å; R70-A72 PolarHBondContact O-N 3.49Å; R70-A72 VanDerWaalsContact O-N 3.09Å; R70-A73 WeakPolarHBondContact O-CB 3.42Å; R70-A73 PolarHBondContact O-N 3.44Å |
| 71 | G | 67.1 | Low | 82.3 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V68 G69 A73 G74 Q75 | V68-G71 WeakPolarHBondContact O-CA 3.41Å; V68-G71 PolarHBondContact O-N 2.94Å; G69-G71 PolarHBondContact O-N 3.33Å; G71-A73 PolarHBondContact O-N 3.02Å; G71-G74 VanDerWaalsContact O-CA 3.29Å; G71-G74 WeakPolarHBondContact O-CA 3.39Å; G71-G74 PolarHBondContact O-N 3.43Å; G71-Q75 PolarHBondContact O-N 3.13Å; G71-Q75 VanDerWaalsContact O-N 3.11Å |
| 72 | A | 62 | Low | 82.5 | Confident | 43 Ų | 43 | 87.6 Ų | 87.6 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -52.9 | -37.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R70 G74 Q75 E76 | R70-A72 PolarHBondContact O-N 3.49Å; R70-A72 VanDerWaalsContact O-N 3.09Å; A72-G74 PolarHBondContact O-N 3.43Å; A72-Q75 WeakPolarHBondContact O-CA 3.44Å; A72-Q75 WeakPolarHBondContact O-CB 3.49Å; A72-Q75 PolarHBondContact O-N 2.84Å; A72-E76 WeakPolarHBondContact O-CG 3.28Å; A72-E76 PolarHBondContact O-N 3.45Å |
| 73 | A | 66.6 | Low | 82.8 | Confident | 58 Ų | 58 | 88.2 Ų | 88.2 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -22.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R70 G71 A77 | R70-A73 WeakPolarHBondContact O-CB 3.42Å; R70-A73 PolarHBondContact O-N 3.44Å; G71-A73 PolarHBondContact O-N 3.02Å; A73-A77 VanDerWaalsContact O-CB 3.29Å; A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 3.31Å; A73-A77 VanDerWaalsContact O-N 3.14Å |
| 74 | G | 75.4 | Confident | 83.2 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 40% | 0.402 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.6 | -43.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G71 A72 A77 E78 | G71-G74 VanDerWaalsContact O-CA 3.29Å; G71-G74 WeakPolarHBondContact O-CA 3.39Å; G71-G74 PolarHBondContact O-N 3.43Å; A72-G74 PolarHBondContact O-N 3.43Å; G74-A77 PolarHBondContact O-N 3.35Å; G74-E78 WeakPolarHBondContact O-CG 3.49Å; G74-E78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 79.1 | Confident | 83.6 | Confident | 125 Ų | 125 | 88 Ų | 88 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 175 | -64.7 | 178.7 | -38.8 | 0 | 0 | 111.5 | G71 A72 A77 E78 E79 | G71-Q75 PolarHBondContact O-N 3.13Å; G71-Q75 VanDerWaalsContact O-N 3.11Å; A72-Q75 WeakPolarHBondContact O-CA 3.44Å; A72-Q75 WeakPolarHBondContact O-CB 3.49Å; A72-Q75 PolarHBondContact O-N 2.84Å; Q75-A77 VanDerWaalsContact C-N 3.29Å; Q75-A77 PolarHBondContact O-N 3.04Å; Q75-E78 CarbonylContact O-C 3.58Å; Q75-E78 PolarHBondContact O-N 3.48Å; Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 2.93Å |
| 76 | E | 81.5 | Confident | 84.1 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54.8 | -43.3 | 172.2 | -70.9 | 172.5 | -171.5 | 0 | 0 | 111.6 | A72 E78 E79 L80 | A72-E76 WeakPolarHBondContact O-CG 3.28Å; A72-E76 PolarHBondContact O-N 3.45Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.08Å; E76-E79 PolarHBondContact O-N 2.91Å; E76-L80 WeakPolarHBondContact O-CB 3.38Å; E76-L80 VanDerWaalsContact O-CG 3.29Å; E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 2.93Å |
| 77 | A | 84.1 | Confident | 84.7 | Confident | 43 Ų | 43 | 92.4 Ų | 92.4 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.8 | -30.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A73 G74 Q75 R81 | A73-A77 VanDerWaalsContact O-CB 3.29Å; A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 3.31Å; A73-A77 VanDerWaalsContact O-N 3.14Å; G74-A77 PolarHBondContact O-N 3.35Å; Q75-A77 VanDerWaalsContact C-N 3.29Å; Q75-A77 PolarHBondContact O-N 3.04Å; A77-R81 VanDerWaalsContact O-CD 3.26Å; A77-R81 WeakPolarHBondContact O-CD 3.46Å; A77-R81 WeakPolarHBondContact O-CG 3.44Å; A77-R81 PolarHBondContact O-N 2.88Å |
| 78 | E | 85.7 | Confident | 85.3 | Confident | 96 Ų | 96 | 92 Ų | 92 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | 171.5 | -68.2 | -173 | 176.7 | 0 | 0 | 112.8 | G74 Q75 E76 R81 R82 | G74-E78 WeakPolarHBondContact O-CG 3.49Å; G74-E78 PolarHBondContact O-N 3.47Å; Q75-E78 CarbonylContact O-C 3.58Å; Q75-E78 PolarHBondContact O-N 3.48Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.08Å; E78-R81 WeakPolarHBondContact O-CB 3.43Å; E78-R81 PolarHBondContact O-N 2.88Å; E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.24Å; E78-R82 IonicContact OE2-CZ 3.83Å; E78-R82 IonicContact OE2-NH1 3.36Å; E78-R82 PolarHBondContact OE2-NH1 3.29Å; E78-R82 VanDerWaalsContact OE2-NH1 3.16Å; E78-R82 IonicContact OE2-NH2 3.93Å; E78-R82 PolarHBondContact OE2-NH2 2.94Å |
| 79 | E | 89.9 | Confident | 85.9 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 174.2 | -73.7 | 173.1 | -176.3 | 0 | 0 | 110.8 | Q75 E76 R81 R82 E83 | Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 2.93Å; E76-E79 PolarHBondContact O-N 2.91Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.82Å; E79-R82 WeakPolarHBondContact O-CB 3.48Å; E79-R82 PolarHBondContact O-N 3.18Å; E79-E83 PolarHBondContact O-N 2.84Å |
| 80 | L | 94.1 | Very high | 86.8 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 60% | 0.602 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.1 | -33.1 | 173.9 | -71.4 | 170.4 | 0 | 0 | 0 | 112.8 | E76 L84 | E76-L80 WeakPolarHBondContact O-CB 3.38Å; E76-L80 VanDerWaalsContact O-CG 3.29Å; E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 2.93Å; L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.31Å; L80-L84 PolarHBondContact O-N 3.38Å |
| 81 | R | 95.3 | Very high | 88.1 | Confident | 176 Ų | 176 | 98.5 Ų | 98.5 | 66% | 0.664 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 171.7 | -74.5 | 163.2 | -172.9 | -114.2 | 5.8 | 111.6 | A77 E78 E79 E83 L84 D85 | A77-R81 VanDerWaalsContact O-CD 3.26Å; A77-R81 WeakPolarHBondContact O-CD 3.46Å; A77-R81 WeakPolarHBondContact O-CG 3.44Å; A77-R81 PolarHBondContact O-N 2.88Å; E78-R81 WeakPolarHBondContact O-CB 3.43Å; E78-R81 PolarHBondContact O-N 2.88Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.82Å; R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 PolarHBondContact O-N 3.07Å; R81-L84 WeakPolarHBondContact O-CB 3.46Å; R81-L84 PolarHBondContact O-N 2.91Å; R81-D85 PolarHBondContact O-N 3.3Å |
| 82 | R | 95.8 | Very high | 89.5 | Confident | 144 Ų | 144 | 99.1 Ų | 99.1 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.4 | -69.7 | 168.6 | -174.9 | 113 | 10.4 | 111.4 | E78 E79 R86 | E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.24Å; E78-R82 IonicContact OE2-CZ 3.83Å; E78-R82 IonicContact OE2-NH1 3.36Å; E78-R82 PolarHBondContact OE2-NH1 3.29Å; E78-R82 VanDerWaalsContact OE2-NH1 3.16Å; E78-R82 IonicContact OE2-NH2 3.93Å; E78-R82 PolarHBondContact OE2-NH2 2.94Å; E79-R82 WeakPolarHBondContact O-CB 3.48Å; E79-R82 PolarHBondContact O-N 3.18Å; R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 PolarHBondContact O-N 3.06Å |
| 83 | E | 96.5 | Very high | 91.1 | Very high | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 173.5 | -70.3 | -150 | 129.1 | 0 | 0 | 112.7 | E79 R81 D85 R86 L87 | E79-E83 PolarHBondContact O-N 2.84Å; R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 PolarHBondContact O-N 3.07Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 3.3Å; E83-R86 WeakPolarHBondContact O-CB 3.39Å; E83-R86 PolarHBondContact O-N 3.46Å; E83-R86 IonicContact OE1-NH2 2.86Å; E83-L87 WeakPolarHBondContact O-CB 3.47Å; E83-L87 WeakPolarHBondContact O-CG 3.47Å; E83-L87 PolarHBondContact O-N 3.07Å |
| 84 | L | 97.1 | Very high | 92.6 | Very high | 95 Ų | 95 | 106.3 Ų | 106.3 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 175.2 | -174.9 | 75.6 | 0 | 0 | 0 | 110.8 | L80 R81 R86 L87 Q88 | L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.31Å; L80-L84 PolarHBondContact O-N 3.38Å; R81-L84 WeakPolarHBondContact O-CB 3.46Å; R81-L84 PolarHBondContact O-N 2.91Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.43Å; L84-L87 PolarHBondContact O-N 2.85Å; L84-Q88 WeakPolarHBondContact O-CB 3.5Å; L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.27Å |
| 85 | D | 96.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 111.9 Ų | 111.9 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.1 | -70.3 | -8.9 | 0 | 0 | 0 | 111.7 | R81 E83 Q88 R89 | R81-D85 PolarHBondContact O-N 3.3Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 3.3Å; D85-Q88 PolarHBondContact O-N 2.87Å; D85-R89 WeakPolarHBondContact O-CG 3.36Å; D85-R89 PolarHBondContact O-N 3.35Å; D85-R89 VanDerWaalsContact O-N 3.07Å; D85-R89 PolarHBondContact O-NH1 3.21Å |
| 86 | R | 97.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 111 Ų | 111 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 174.1 | -166.9 | -168.5 | 71.7 | -154.3 | -19 | 110.8 | R82 E83 L84 Q88 R89 E90 | R82-R86 WeakPolarHBondContact O-CB 3.38Å; R82-R86 PolarHBondContact O-N 3.06Å; E83-R86 WeakPolarHBondContact O-CB 3.39Å; E83-R86 PolarHBondContact O-N 3.46Å; E83-R86 IonicContact OE1-NH2 2.86Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.43Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 3.43Å; R86-R89 PolarHBondContact O-N 2.91Å; R86-E90 WeakPolarHBondContact CD-OE1 3.44Å; R86-E90 WeakPolarHBondContact CG-OE1 3.49Å; R86-E90 IonicContact CZ-OE1 2.74Å; R86-E90 IonicContact NE-OE1 3.93Å; R86-E90 PolarHBondContact NE-OE1 3.39Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 2.88Å |
| 87 | L | 97.6 | Very high | 95.3 | Very high | 81 Ų | 81 | 110.3 Ų | 110.3 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -28.8 | 179.7 | -69.7 | 172 | 0 | 0 | 0 | 113 | E83 L84 R91 | E83-L87 WeakPolarHBondContact O-CB 3.47Å; E83-L87 WeakPolarHBondContact O-CG 3.47Å; E83-L87 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 2.85Å; L87-R91 VanDerWaalsContact O-CB 3.29Å; L87-R91 WeakPolarHBondContact O-CB 3.23Å; L87-R91 PolarHBondContact O-N 3.34Å; L87-R91 VanDerWaalsContact O-N 3.14Å |
| 88 | Q | 97.1 | Very high | 95.9 | Very high | 107 Ų | 107 | 113.9 Ų | 113.9 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 171.8 | -76.5 | -179.3 | 4.7 | 0 | 0 | 111.6 | L84 D85 R86 R91 S92 | L84-Q88 WeakPolarHBondContact O-CB 3.5Å; L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.27Å; D85-Q88 PolarHBondContact O-N 2.87Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 3.43Å; Q88-R91 PolarHBondContact O-N 3.45Å; Q88-S92 PolarHBondContact O-N 3.32Å; Q88-S92 PolarHBondContact O-OG 3.04Å |
| 89 | R | 96.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 114.5 Ų | 114.5 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 174.7 | -65.9 | 180 | -148.8 | 99 | 0.9 | 111.7 | D85 R86 R91 S92 D93 | D85-R89 WeakPolarHBondContact O-CG 3.36Å; D85-R89 PolarHBondContact O-N 3.35Å; D85-R89 VanDerWaalsContact O-N 3.07Å; D85-R89 PolarHBondContact O-NH1 3.21Å; R86-R89 PolarHBondContact O-N 2.91Å; R89-R91 PolarHBondContact O-N 2.91Å; R89-R91 VanDerWaalsContact O-N 3.11Å; R89-S92 WeakPolarHBondContact CA-OG 3.25Å; R89-S92 PolarHBondContact O-N 2.93Å; R89-S92 PolarHBondContact O-OG 3Å; R89-D93 WeakPolarHBondContact O-CB 3.32Å; R89-D93 PolarHBondContact O-N 3.45Å |
| 90 | E | 96.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 114.1 Ų | 114.1 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.5 | -34.5 | 175.8 | -72.2 | 176.3 | -140.1 | 0 | 0 | 112.3 | R86 R94 | R86-E90 WeakPolarHBondContact CD-OE1 3.44Å; R86-E90 WeakPolarHBondContact CG-OE1 3.49Å; R86-E90 IonicContact CZ-OE1 2.74Å; R86-E90 IonicContact NE-OE1 3.93Å; R86-E90 PolarHBondContact NE-OE1 3.39Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 2.88Å; E90-R94 WeakPolarHBondContact O-CB 3.49Å; E90-R94 VanDerWaalsContact O-CG 3.22Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.48Å; E90-R94 VanDerWaalsContact O-N 3.13Å |
| 91 | R | 97.5 | Very high | 97 | Very high | 184 Ų | 184 | 113.1 Ų | 113.1 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.2 | -40.9 | 176.7 | -167.6 | -172.9 | -54.6 | -176.3 | 2.8 | 112.7 | L87 Q88 R89 Y95 | L87-R91 VanDerWaalsContact O-CB 3.29Å; L87-R91 WeakPolarHBondContact O-CB 3.23Å; L87-R91 PolarHBondContact O-N 3.34Å; L87-R91 VanDerWaalsContact O-N 3.14Å; Q88-R91 PolarHBondContact O-N 3.45Å; R89-R91 PolarHBondContact O-N 2.91Å; R89-R91 VanDerWaalsContact O-N 3.11Å; R91-Y95 WeakPolarHBondContact O-CB 3.45Å; R91-Y95 PolarHBondContact O-N 3.08Å; R91-Y95 VanDerWaalsContact O-N 3.12Å |
| 92 | S | 95.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 109.7 Ų | 109.7 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.1 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | Q88 R89 R94 Y95 E96 | Q88-S92 PolarHBondContact O-N 3.32Å; Q88-S92 PolarHBondContact O-OG 3.04Å; R89-S92 WeakPolarHBondContact CA-OG 3.25Å; R89-S92 PolarHBondContact O-N 2.93Å; R89-S92 PolarHBondContact O-OG 3Å; S92-R94 PolarHBondContact O-N 2.87Å; S92-Y95 WeakPolarHBondContact O-CB 3.39Å; S92-Y95 PolarHBondContact O-N 3.38Å; S92-Y95 VanDerWaalsContact O-N 3.13Å; S92-E96 PolarHBondContact O-N 3.49Å |
| 93 | D | 96.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 108.1 Ų | 108.1 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | -176.2 | -61 | -5.2 | 0 | 0 | 0 | 110.9 | R89 E96 Q97 | R89-D93 WeakPolarHBondContact O-CB 3.32Å; R89-D93 PolarHBondContact O-N 3.45Å; D93-E96 PolarHBondContact O-N 2.88Å; D93-Q97 WeakPolarHBondContact O-CB 3.42Å; D93-Q97 VanDerWaalsContact O-CG 3.25Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 3.42Å |
| 94 | R | 97.2 | Very high | 97.3 | Very high | 170 Ų | 170 | 108.6 Ų | 108.6 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 171.7 | -74.3 | 178.2 | -163.5 | -156.8 | 8.4 | 112.4 | E90 S92 E96 Q97 E98 | E90-R94 WeakPolarHBondContact O-CB 3.49Å; E90-R94 VanDerWaalsContact O-CG 3.22Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.48Å; E90-R94 VanDerWaalsContact O-N 3.13Å; S92-R94 PolarHBondContact O-N 2.87Å; R94-E96 VanDerWaalsContact C-N 3.34Å; R94-E96 PolarHBondContact O-N 3.18Å; R94-Q97 PolarHBondContact O-N 3.39Å; R94-E98 WeakPolarHBondContact O-CB 3.27Å; R94-E98 PolarHBondContact O-N 2.92Å |
| 95 | Y | 96.8 | Very high | 97.4 | Very high | 157 Ų | 157 | 109.2 Ų | 109.2 | 62% | 0.616 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | 177.1 | 176.1 | -99 | 0 | 0 | 0 | 112.1 | R91 S92 K99 | R91-Y95 WeakPolarHBondContact O-CB 3.45Å; R91-Y95 PolarHBondContact O-N 3.08Å; R91-Y95 VanDerWaalsContact O-N 3.12Å; S92-Y95 WeakPolarHBondContact O-CB 3.39Å; S92-Y95 PolarHBondContact O-N 3.38Å; S92-Y95 VanDerWaalsContact O-N 3.13Å; Y95-K99 HydrophobicContact CE1-CD 4.32Å; Y95-K99 VanDerWaalsContact O-CB 3.26Å; Y95-K99 WeakPolarHBondContact O-CB 3.27Å; Y95-K99 PolarHBondContact O-N 2.7Å |
| 96 | E | 97.7 | Very high | 97.4 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 174.5 | -74.1 | -165.3 | -173.8 | 0 | 0 | 113.2 | S92 D93 R94 K100 | S92-E96 PolarHBondContact O-N 3.49Å; D93-E96 PolarHBondContact O-N 2.88Å; R94-E96 VanDerWaalsContact C-N 3.34Å; R94-E96 PolarHBondContact O-N 3.18Å; E96-K100 VanDerWaalsContact O-CG 3.28Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.14Å |
| 97 | Q | 97.6 | Very high | 97.5 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 173.7 | -73.7 | 168.2 | 11.1 | 0 | 0 | 110.8 | D93 R94 K99 K100 H101 | D93-Q97 WeakPolarHBondContact O-CB 3.42Å; D93-Q97 VanDerWaalsContact O-CG 3.25Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 3.42Å; R94-Q97 PolarHBondContact O-N 3.39Å; Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.12Å; Q97-K100 WeakPolarHBondContact O-CA 3.46Å; Q97-K100 WeakPolarHBondContact O-CB 3.46Å; Q97-K100 PolarHBondContact O-N 2.94Å; Q97-H101 PolarHBondContact O-N 2.76Å; Q97-H101 PolarHBondContact O-ND1 2.9Å |
| 98 | E | 97.4 | Very high | 97.5 | Very high | 118 Ų | 118 | 111.5 Ų | 111.5 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.6 | -43.8 | 176.5 | -166.6 | 63.8 | -162.3 | 0 | 0 | 111.3 | R94 K100 H101 Q102 | R94-E98 WeakPolarHBondContact O-CB 3.27Å; R94-E98 PolarHBondContact O-N 2.92Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 3.47Å; E98-H101 PolarHBondContact O-N 3.36Å; E98-Q102 VanDerWaalsContact O-CB 3.31Å; E98-Q102 WeakPolarHBondContact O-CB 3.27Å; E98-Q102 PolarHBondContact O-N 2.74Å |
| 99 | K | 98.1 | Very high | 97.6 | Very high | 108 Ų | 108 | 111 Ų | 111 | 47% | 0.47 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -23.8 | 176.3 | -172.7 | 175.3 | -177.8 | 176.9 | 0 | 113.9 | Y95 Q97 K103 | Y95-K99 HydrophobicContact CE1-CD 4.32Å; Y95-K99 VanDerWaalsContact O-CB 3.26Å; Y95-K99 WeakPolarHBondContact O-CB 3.27Å; Y95-K99 PolarHBondContact O-N 2.7Å; Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.12Å; K99-K103 WeakPolarHBondContact O-CG 3.45Å |
| 100 | K | 98.2 | Very high | 97.6 | Very high | 111 Ų | 111 | 109.7 Ų | 109.7 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.6 | -50.3 | 171.7 | -73.4 | 163 | -173.1 | 165.8 | 0 | 110.1 | E96 Q97 E98 Q102 K103 E104 | E96-K100 VanDerWaalsContact O-CG 3.28Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.14Å; Q97-K100 WeakPolarHBondContact O-CA 3.46Å; Q97-K100 WeakPolarHBondContact O-CB 3.46Å; Q97-K100 PolarHBondContact O-N 2.94Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 3.47Å; K100-Q102 VanDerWaalsContact C-N 3.3Å; K100-Q102 PolarHBondContact O-N 2.99Å; K100-K103 WeakPolarHBondContact O-CB 3.11Å; K100-K103 PolarHBondContact O-N 3.49Å; K100-E104 WeakPolarHBondContact O-CG 3.41Å; K100-E104 PolarHBondContact O-N 3.36Å |
| 101 | H | 97.3 | Very high | 97.7 | Very high | 94 Ų | 94 | 110.7 Ų | 110.7 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.3 | -57.9 | 149.8 | 0 | 0 | 0 | 112.3 | Q97 E98 K103 E104 L105 | Q97-H101 PolarHBondContact O-N 2.76Å; Q97-H101 PolarHBondContact O-ND1 2.9Å; E98-H101 PolarHBondContact O-N 3.36Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact O-N 3.45Å; H101-E104 IonicContact CD2-OE2 3.86Å; H101-E104 PolarHBondContact O-N 2.93Å; H101-L105 WeakPolarHBondContact O-CB 3.47Å; H101-L105 WeakPolarHBondContact O-CG 3.35Å; H101-L105 PolarHBondContact O-N 2.86Å |
| 102 | Q | 98.3 | Very high | 97.8 | Very high | 104 Ų | 104 | 109.5 Ų | 109.5 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.8 | -46.5 | 173.5 | -174 | 83.4 | 58 | 0 | 0 | 111.7 | E98 K100 L105 E106 | E98-Q102 VanDerWaalsContact O-CB 3.31Å; E98-Q102 WeakPolarHBondContact O-CB 3.27Å; E98-Q102 PolarHBondContact O-N 2.74Å; K100-Q102 VanDerWaalsContact C-N 3.3Å; K100-Q102 PolarHBondContact O-N 2.99Å; Q102-L105 PolarHBondContact O-N 3.1Å; Q102-E106 VanDerWaalsContact O-CG 3.3Å; Q102-E106 WeakPolarHBondContact O-CG 3.31Å; Q102-E106 PolarHBondContact O-N 3.01Å |
| 103 | K | 98 | Very high | 97.9 | Very high | 110 Ų | 110 | 113.5 Ų | 113.5 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.1 | -33.2 | 178.4 | -72.2 | 175.2 | 172.9 | -166.4 | 0 | 113.2 | K99 K100 H101 Q107 | K99-K103 WeakPolarHBondContact O-CG 3.45Å; K100-K103 WeakPolarHBondContact O-CB 3.11Å; K100-K103 PolarHBondContact O-N 3.49Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact O-N 3.45Å; K103-Q107 WeakPolarHBondContact O-CB 3.34Å; K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.39Å; K103-Q107 PolarHBondContact O-NE2 2.97Å |
| 104 | E | 97.9 | Very high | 98 | Very high | 105 Ų | 105 | 111 Ų | 111 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 175.5 | -72.4 | 162.9 | -165.6 | 0 | 0 | 110.2 | K100 H101 Q107 V108 | K100-E104 WeakPolarHBondContact O-CG 3.41Å; K100-E104 PolarHBondContact O-N 3.36Å; H101-E104 IonicContact CD2-OE2 3.86Å; H101-E104 PolarHBondContact O-N 2.93Å; E104-Q107 PolarHBondContact O-N 3.26Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.35Å |
| 105 | L | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 171.1 | -72.5 | 167 | 0 | 0 | 0 | 112.1 | H101 Q102 Q107 V108 E109 | H101-L105 WeakPolarHBondContact O-CB 3.47Å; H101-L105 WeakPolarHBondContact O-CG 3.35Å; H101-L105 PolarHBondContact O-N 2.86Å; Q102-L105 PolarHBondContact O-N 3.1Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; L105-Q107 PolarHBondContact O-N 2.89Å; L105-V108 PolarHBondContact O-N 2.89Å; L105-E109 PolarHBondContact O-N 3.36Å |
| 106 | E | 97.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 174.6 | -74.9 | 165 | -174.5 | 0 | 0 | 111.8 | Q102 E109 D110 | Q102-E106 VanDerWaalsContact O-CG 3.3Å; Q102-E106 WeakPolarHBondContact O-CG 3.31Å; Q102-E106 PolarHBondContact O-N 3.01Å; E106-E109 PolarHBondContact O-N 2.96Å; E106-D110 PolarHBondContact O-N 3.37Å |
| 107 | Q | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 105.1 Ų | 105.1 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 176.3 | -76.8 | 164.5 | 88 | 0 | 0 | 112.8 | K103 E104 L105 D110 V111 | K103-Q107 WeakPolarHBondContact O-CB 3.34Å; K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.39Å; K103-Q107 PolarHBondContact O-NE2 2.97Å; E104-Q107 PolarHBondContact O-N 3.26Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; L105-Q107 PolarHBondContact O-N 2.89Å; Q107-D110 PolarHBondContact O-N 3.48Å; Q107-V111 WeakPolarHBondContact O-CG2 3.42Å; Q107-V111 PolarHBondContact O-N 3.39Å |
| 108 | V | 98.5 | Very high | 98.1 | Very high | 99 Ų | 99 | 104.9 Ų | 104.9 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 176.4 | 170 | 0 | 0 | 0 | 0 | 110.9 | E104 L105 W112 | E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.35Å; L105-V108 PolarHBondContact O-N 2.89Å; V108-W112 VanDerWaalsContact O-CB 3.31Å; V108-W112 WeakPolarHBondContact O-CB 3.31Å; V108-W112 PolarHBondContact O-N 2.89Å |
| 109 | E | 98 | Very high | 98.2 | Very high | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 173.1 | -79.2 | -164.4 | -152.2 | 0 | 0 | 112.2 | L105 E106 W112 R113 | L105-E109 PolarHBondContact O-N 3.36Å; E106-E109 PolarHBondContact O-N 2.96Å; E109-W112 PolarHBondContact O-N 2.9Å; E109-R113 WeakPolarHBondContact O-CB 3.49Å; E109-R113 WeakPolarHBondContact O-CG 3.36Å; E109-R113 PolarHBondContact O-N 2.94Å; E109-R113 IonicContact OE2-CZ 3.93Å; E109-R113 IonicContact OE2-NE 3.73Å; E109-R113 IonicContact OE2-NH2 3.25Å; E109-R113 PolarHBondContact OE2-NH2 3.47Å |
| 110 | D | 98.2 | Very high | 98.2 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 179.2 | -81 | -17 | 0 | 0 | 0 | 112.3 | E106 Q107 R113 G114 | E106-D110 PolarHBondContact O-N 3.37Å; Q107-D110 PolarHBondContact O-N 3.48Å; D110-R113 PolarHBondContact O-N 2.97Å; D110-G114 PolarHBondContact O-N 3.4Å |
| 111 | V | 98.5 | Very high | 98.2 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | Q107 R113 G114 E115 | Q107-V111 WeakPolarHBondContact O-CG2 3.42Å; Q107-V111 PolarHBondContact O-N 3.39Å; V111-R113 VanDerWaalsContact C-N 3.35Å; V111-R113 PolarHBondContact O-N 3.38Å; V111-G114 WeakPolarHBondContact O-CA 3.43Å; V111-G114 PolarHBondContact O-N 2.94Å; V111-G114 VanDerWaalsContact O-N 3.08Å; V111-E115 PolarHBondContact O-N 3.01Å |
| 112 | W | 98.4 | Very high | 98.2 | Very high | 159 Ų | 159 | 101.7 Ų | 101.7 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 179 | -177.2 | 62.3 | 0 | 0 | 0 | 112.7 | V108 E109 G114 E115 V116 | V108-W112 VanDerWaalsContact O-CB 3.31Å; V108-W112 WeakPolarHBondContact O-CB 3.31Å; V108-W112 PolarHBondContact O-N 2.89Å; E109-W112 PolarHBondContact O-N 2.9Å; W112-G114 VanDerWaalsContact C-N 3.31Å; W112-G114 PolarHBondContact O-N 3.26Å; W112-E115 PolarHBondContact O-N 3.34Å; W112-V116 HydrophobicContact CD2-CG2 4.28Å; W112-V116 HydrophobicContact CZ2-CG2 4.15Å; W112-V116 WeakPolarHBondContact O-CB 3.23Å; W112-V116 VanDerWaalsContact O-CG2 3.26Å; W112-V116 WeakPolarHBondContact O-CG2 3.42Å; W112-V116 PolarHBondContact O-N 3.09Å |
| 113 | R | 98.6 | Very high | 98.2 | Very high | 136 Ų | 136 | 100.9 Ų | 100.9 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 171.8 | -73.4 | 166.8 | -163.8 | -69.7 | -4.2 | 111.5 | E109 D110 V111 Q117 | E109-R113 WeakPolarHBondContact O-CB 3.49Å; E109-R113 WeakPolarHBondContact O-CG 3.36Å; E109-R113 PolarHBondContact O-N 2.94Å; E109-R113 IonicContact OE2-CZ 3.93Å; E109-R113 IonicContact OE2-NE 3.73Å; E109-R113 IonicContact OE2-NH2 3.25Å; E109-R113 PolarHBondContact OE2-NH2 3.47Å; D110-R113 PolarHBondContact O-N 2.97Å; V111-R113 VanDerWaalsContact C-N 3.35Å; V111-R113 PolarHBondContact O-N 3.38Å; R113-Q117 WeakPolarHBondContact O-CB 3.26Å; R113-Q117 PolarHBondContact O-N 3.42Å |
| 114 | G | 98.4 | Very high | 98.2 | Very high | 31 Ų | 31 | 99.9 Ų | 99.9 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -53.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D110 V111 W112 V116 Q117 D118 | D110-G114 PolarHBondContact O-N 3.4Å; V111-G114 WeakPolarHBondContact O-CA 3.43Å; V111-G114 PolarHBondContact O-N 2.94Å; V111-G114 VanDerWaalsContact O-N 3.08Å; W112-G114 VanDerWaalsContact C-N 3.31Å; W112-G114 PolarHBondContact O-N 3.26Å; G114-V116 VanDerWaalsContact C-N 3.34Å; G114-V116 PolarHBondContact O-N 3.02Å; G114-Q117 PolarHBondContact O-N 3.37Å; G114-Q117 VanDerWaalsContact O-N 3.1Å; G114-D118 PolarHBondContact O-N 3.4Å |
| 115 | E | 97.7 | Very high | 98.2 | Very high | 113 Ų | 113 | 100.5 Ų | 100.5 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 178 | -69 | 178.7 | 169.8 | 0 | 0 | 112.4 | V111 W112 Q117 D118 L119 | V111-E115 PolarHBondContact O-N 3.01Å; W112-E115 PolarHBondContact O-N 3.34Å; E115-Q117 VanDerWaalsContact C-N 3.35Å; E115-Q117 PolarHBondContact O-N 3.4Å; E115-D118 PolarHBondContact O-N 3.08Å; E115-L119 WeakPolarHBondContact O-CB 3.31Å; E115-L119 VanDerWaalsContact O-CG 3.27Å; E115-L119 WeakPolarHBondContact O-CG 3.18Å; E115-L119 PolarHBondContact O-N 3.24Å |
| 116 | V | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 100 Ų | 100 | 33% | 0.333 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | W112 G114 L120 | W112-V116 HydrophobicContact CD2-CG2 4.28Å; W112-V116 HydrophobicContact CZ2-CG2 4.15Å; W112-V116 WeakPolarHBondContact O-CB 3.23Å; W112-V116 VanDerWaalsContact O-CG2 3.26Å; W112-V116 WeakPolarHBondContact O-CG2 3.42Å; W112-V116 PolarHBondContact O-N 3.09Å; G114-V116 VanDerWaalsContact C-N 3.34Å; G114-V116 PolarHBondContact O-N 3.02Å; V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 VanDerWaalsContact O-CG 3.23Å; V116-L120 WeakPolarHBondContact O-CG 3.35Å; V116-L120 PolarHBondContact O-N 2.99Å |
| 117 | Q | 98.5 | Very high | 98.2 | Very high | 140 Ų | 140 | 100.3 Ų | 100.3 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 176.9 | -178.6 | 170.3 | -18 | 0 | 0 | 111.9 | R113 G114 E115 L120 S121 | R113-Q117 WeakPolarHBondContact O-CB 3.26Å; R113-Q117 PolarHBondContact O-N 3.42Å; G114-Q117 PolarHBondContact O-N 3.37Å; G114-Q117 VanDerWaalsContact O-N 3.1Å; E115-Q117 VanDerWaalsContact C-N 3.35Å; E115-Q117 PolarHBondContact O-N 3.4Å; Q117-L120 PolarHBondContact O-N 3.34Å; Q117-S121 PolarHBondContact O-N 2.87Å |
| 118 | D | 98.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.7 | -77.1 | -14.1 | 0 | 0 | 0 | 111.2 | G114 E115 L120 S121 Q122 | G114-D118 PolarHBondContact O-N 3.4Å; E115-D118 PolarHBondContact O-N 3.08Å; D118-L120 PolarHBondContact O-N 2.85Å; D118-S121 WeakPolarHBondContact O-CB 3.12Å; D118-S121 PolarHBondContact O-N 2.98Å; D118-S121 VanDerWaalsContact O-N 3.14Å; D118-S121 PolarHBondContact O-OG 3.32Å; D118-Q122 WeakPolarHBondContact O-CG 3.39Å; D118-Q122 PolarHBondContact O-N 2.86Å |
| 119 | L | 98.1 | Very high | 98 | Very high | 99 Ų | 99 | 96.6 Ų | 96.6 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 174.6 | -72 | 171.4 | 0 | 0 | 0 | 112.1 | E115 S121 Q122 I123 | E115-L119 WeakPolarHBondContact O-CB 3.31Å; E115-L119 VanDerWaalsContact O-CG 3.27Å; E115-L119 WeakPolarHBondContact O-CG 3.18Å; E115-L119 PolarHBondContact O-N 3.24Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.16Å; L119-Q122 PolarHBondContact O-N 3.38Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.15Å; L119-I123 PolarHBondContact O-N 2.86Å |
| 120 | L | 98.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 173.8 | -74.2 | 170 | 0 | 0 | 0 | 112.1 | V116 Q117 D118 T124 | V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 VanDerWaalsContact O-CG 3.23Å; V116-L120 WeakPolarHBondContact O-CG 3.35Å; V116-L120 PolarHBondContact O-N 2.99Å; Q117-L120 PolarHBondContact O-N 3.34Å; D118-L120 PolarHBondContact O-N 2.85Å; L120-T124 WeakPolarHBondContact O-CB 3.48Å; L120-T124 PolarHBondContact O-N 3.43Å; L120-T124 PolarHBondContact O-OG1 2.95Å |
| 121 | S | 98 | Very high | 97.7 | Very high | 61 Ų | 61 | 97.8 Ų | 97.8 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175.3 | 86 | 0 | 0 | 0 | 0 | 111.5 | Q117 D118 L119 T124 Q125 | Q117-S121 PolarHBondContact O-N 2.87Å; D118-S121 WeakPolarHBondContact O-CB 3.12Å; D118-S121 PolarHBondContact O-N 2.98Å; D118-S121 VanDerWaalsContact O-N 3.14Å; D118-S121 PolarHBondContact O-OG 3.32Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.16Å; S121-T124 WeakPolarHBondContact O-CB 3.5Å; S121-T124 PolarHBondContact O-N 3.28Å; S121-Q125 PolarHBondContact O-N 3.12Å |
| 122 | Q | 98.3 | Very high | 97.5 | Very high | 103 Ų | 103 | 103 Ų | 103 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.7 | -69.5 | 174.7 | 37.5 | 0 | 0 | 111.6 | D118 L119 T124 Q125 L126 | D118-Q122 WeakPolarHBondContact O-CG 3.39Å; D118-Q122 PolarHBondContact O-N 2.86Å; L119-Q122 PolarHBondContact O-N 3.38Å; Q122-T124 VanDerWaalsContact C-N 3.28Å; Q122-T124 PolarHBondContact O-N 3.18Å; Q122-Q125 PolarHBondContact O-N 2.79Å; Q122-L126 WeakPolarHBondContact O-CB 3.23Å; Q122-L126 VanDerWaalsContact O-CG 3.31Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 2.93Å |
| 123 | I | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 100 Ų | 100 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 174.5 | -69.3 | 166.5 | 0 | 0 | 0 | 110.2 | L119 L126 Q127 | L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.15Å; L119-I123 PolarHBondContact O-N 2.86Å; I123-L126 PolarHBondContact O-N 2.84Å; I123-Q127 HydrophobicContact CG2-CG 4.45Å; I123-Q127 WeakPolarHBondContact O-CB 3.48Å; I123-Q127 VanDerWaalsContact O-CG 3.25Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 2.89Å |
| 124 | T | 98.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 99.2 Ų | 99.2 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | L120 S121 Q122 Q127 A128 | L120-T124 WeakPolarHBondContact O-CB 3.48Å; L120-T124 PolarHBondContact O-N 3.43Å; L120-T124 PolarHBondContact O-OG1 2.95Å; S121-T124 WeakPolarHBondContact O-CB 3.5Å; S121-T124 PolarHBondContact O-N 3.28Å; Q122-T124 VanDerWaalsContact C-N 3.28Å; Q122-T124 PolarHBondContact O-N 3.18Å; T124-Q127 PolarHBondContact O-N 3.37Å; T124-A128 PolarHBondContact O-N 3.36Å |
| 125 | Q | 98 | Very high | 96.3 | Very high | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 176 | -177.9 | 176.6 | -15.9 | 0 | 0 | 111.6 | S121 Q122 Q127 A128 E129 | S121-Q125 PolarHBondContact O-N 3.12Å; Q122-Q125 PolarHBondContact O-N 2.79Å; Q125-Q127 VanDerWaalsContact C-N 3.28Å; Q125-Q127 PolarHBondContact O-N 2.91Å; Q125-A128 WeakPolarHBondContact O-CA 3.22Å; Q125-A128 WeakPolarHBondContact O-CB 3.32Å; Q125-A128 PolarHBondContact O-N 2.96Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.34Å; Q125-E129 PolarHBondContact NE2-OE1 3.42Å; Q125-E129 PolarHBondContact O-N 2.84Å |
| 126 | L | 97.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 178 | -71.2 | 170.8 | 0 | 0 | 0 | 112.3 | Q122 I123 N130 | Q122-L126 WeakPolarHBondContact O-CB 3.23Å; Q122-L126 VanDerWaalsContact O-CG 3.31Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 2.93Å; I123-L126 PolarHBondContact O-N 2.84Å; L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 3.13Å; L126-N130 PolarHBondContact O-ND2 3.44Å |
| 127 | Q | 97.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 171.6 | -76.8 | -177 | 16.4 | 0 | 0 | 112.5 | I123 T124 Q125 K131 | I123-Q127 HydrophobicContact CG2-CG 4.45Å; I123-Q127 WeakPolarHBondContact O-CB 3.48Å; I123-Q127 VanDerWaalsContact O-CG 3.25Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 2.89Å; T124-Q127 PolarHBondContact O-N 3.37Å; Q125-Q127 VanDerWaalsContact C-N 3.28Å; Q125-Q127 PolarHBondContact O-N 2.91Å; Q127-K131 WeakPolarHBondContact O-CB 3.43Å; Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.23Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.82Å |
| 128 | A | 96.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T124 Q125 K131 R132 | T124-A128 PolarHBondContact O-N 3.36Å; Q125-A128 WeakPolarHBondContact O-CA 3.22Å; Q125-A128 WeakPolarHBondContact O-CB 3.32Å; Q125-A128 PolarHBondContact O-N 2.96Å; A128-K131 PolarHBondContact O-N 2.83Å; A128-R132 WeakPolarHBondContact O-CB 3.44Å; A128-R132 PolarHBondContact O-N 3.24Å |
| 129 | E | 96.6 | Very high | 92 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 41% | 0.407 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 175.2 | -72.9 | 179 | -165 | 0 | 0 | 111.8 | Q125 K131 R132 L133 | Q125-E129 WeakPolarHBondContact CG-OE1 3.34Å; Q125-E129 PolarHBondContact NE2-OE1 3.42Å; Q125-E129 PolarHBondContact O-N 2.84Å; E129-K131 PolarHBondContact O-N 2.98Å; E129-R132 WeakPolarHBondContact O-CB 3.42Å; E129-R132 PolarHBondContact O-N 3.17Å; E129-L133 WeakPolarHBondContact O-CB 3.48Å; E129-L133 WeakPolarHBondContact O-CG 3.26Å; E129-L133 PolarHBondContact O-N 2.9Å |
| 130 | N | 94.6 | Very high | 90.1 | Very high | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.7 | -98.5 | -58.3 | 0 | 0 | 0 | 112.5 | L126 R132 L133 L134 | L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 3.13Å; L126-N130 PolarHBondContact O-ND2 3.44Å; N130-R132 VanDerWaalsContact C-N 3.34Å; N130-R132 PolarHBondContact O-N 2.87Å; N130-L133 PolarHBondContact O-N 3.45Å; N130-L134 WeakPolarHBondContact O-CB 3.42Å; N130-L134 PolarHBondContact O-N 2.87Å |
| 131 | K | 95.3 | Very high | 87.3 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 175.3 | -74.6 | 167.4 | -176 | 169.3 | 0 | 111.6 | Q127 A128 E129 V135 | Q127-K131 WeakPolarHBondContact O-CB 3.43Å; Q127-K131 WeakPolarHBondContact O-CD 3.5Å; Q127-K131 VanDerWaalsContact O-CG 3.23Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.82Å; A128-K131 PolarHBondContact O-N 2.83Å; E129-K131 PolarHBondContact O-N 2.98Å; K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 2.93Å; K131-V135 VanDerWaalsContact O-N 3.08Å |
| 132 | R | 95.2 | Very high | 85 | Confident | 196 Ų | 196 | 107.6 Ų | 107.6 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 176.5 | -178.1 | -177.7 | 176.6 | -166.6 | -0.9 | 111.8 | A128 E129 N130 V135 S136 | A128-R132 WeakPolarHBondContact O-CB 3.44Å; A128-R132 PolarHBondContact O-N 3.24Å; E129-R132 WeakPolarHBondContact O-CB 3.42Å; E129-R132 PolarHBondContact O-N 3.17Å; N130-R132 VanDerWaalsContact C-N 3.34Å; N130-R132 PolarHBondContact O-N 2.87Å; R132-V135 PolarHBondContact O-N 2.9Å; R132-S136 WeakPolarHBondContact O-CB 3.35Å; R132-S136 PolarHBondContact O-N 3.1Å; R132-S136 PolarHBondContact O-OG 2.93Å |
| 133 | L | 92.3 | Very high | 82.5 | Confident | 98 Ų | 98 | 108.9 Ų | 108.9 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -46.8 | 177.8 | -72.5 | 171.1 | 0 | 0 | 0 | 111.3 | E129 N130 V135 S136 L137 | E129-L133 WeakPolarHBondContact O-CB 3.48Å; E129-L133 WeakPolarHBondContact O-CG 3.26Å; E129-L133 PolarHBondContact O-N 2.9Å; N130-L133 PolarHBondContact O-N 3.45Å; L133-V135 PolarHBondContact O-N 3.41Å; L133-S136 WeakPolarHBondContact CA-OG 3.33Å; L133-S136 CarbonylContact O-C 3.57Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 2.69Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 3.33Å |
| 134 | L | 90.1 | Very high | 80 | Confident | 118 Ų | 118 | 109.9 Ų | 109.9 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -53.7 | -48.2 | 173.3 | -91.9 | 157.7 | 0 | 0 | 0 | 112.6 | N130 S136 L137 S138 | N130-L134 WeakPolarHBondContact O-CB 3.42Å; N130-L134 PolarHBondContact O-N 2.87Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.48Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-N 2.74Å |
| 135 | V | 87.6 | Confident | 77.9 | Confident | 90 Ų | 90 | 110.9 Ų | 110.9 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | K131 R132 L133 S138 L139 | K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 2.93Å; K131-V135 VanDerWaalsContact O-N 3.08Å; R132-V135 PolarHBondContact O-N 2.9Å; L133-V135 PolarHBondContact O-N 3.41Å; V135-S138 PolarHBondContact O-N 2.93Å; V135-L139 HydrophobicContact CG1-CD1 4Å; V135-L139 WeakPolarHBondContact O-CG 3.33Å; V135-L139 PolarHBondContact O-N 3.17Å |
| 136 | S | 84.9 | Confident | 75.4 | Confident | 53 Ų | 53 | 113 Ų | 113 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.3 | -31.5 | 178.9 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | R132 L133 L134 K140 | R132-S136 WeakPolarHBondContact O-CB 3.35Å; R132-S136 PolarHBondContact O-N 3.1Å; R132-S136 PolarHBondContact O-OG 2.93Å; L133-S136 WeakPolarHBondContact CA-OG 3.33Å; L133-S136 CarbonylContact O-C 3.57Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 2.69Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.48Å; S136-K140 PolarHBondContact O-N 2.93Å |
| 137 | L | 77.8 | Confident | 73 | Confident | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.9 | -49.1 | 173.1 | -75.6 | 166.4 | 0 | 0 | 0 | 110.3 | L133 L134 L139 K140 E141 | L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 3.33Å; L134-L137 PolarHBondContact O-N 3.47Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.21Å; L137-K140 CarbonylContact O-C 3.52Å; L137-K140 WeakPolarHBondContact O-CA 3.18Å; L137-K140 WeakPolarHBondContact O-CB 3.28Å; L137-K140 PolarHBondContact O-N 2.95Å; L137-E141 PolarHBondContact O-N 3.36Å; L137-E141 VanDerWaalsContact O-N 3.16Å |
| 138 | S | 73.1 | Confident | 70.7 | Confident | 81 Ų | 81 | 119 Ų | 119 | 57% | 0.566 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.7 | -34.1 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | L134 V135 | L134-S138 PolarHBondContact O-N 2.74Å; V135-S138 PolarHBondContact O-N 2.93Å |
| 139 | L | 65.8 | Low | 68.7 | Low | 127 Ų | 127 | 119.3 Ų | 119.3 | 67% | 0.665 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.5 | -28.7 | 172 | -76.1 | 164.1 | 0 | 0 | 0 | 113.4 | V135 L137 S142 | V135-L139 HydrophobicContact CG1-CD1 4Å; V135-L139 WeakPolarHBondContact O-CG 3.33Å; V135-L139 PolarHBondContact O-N 3.17Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.21Å; L139-S142 PolarHBondContact O-OG 3.01Å |
| 140 | K | 59.8 | Low | 66.6 | Low | 179 Ų | 179 | 122.2 Ų | 122.2 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.3 | -11.2 | 177.6 | -104.8 | -176.2 | 171.1 | -172.1 | 0 | 114.2 | S136 L137 S142 | S136-K140 PolarHBondContact O-N 2.93Å; L137-K140 CarbonylContact O-C 3.52Å; L137-K140 WeakPolarHBondContact O-CA 3.18Å; L137-K140 WeakPolarHBondContact O-CB 3.28Å; L137-K140 PolarHBondContact O-N 2.95Å; K140-S142 PolarHBondContact O-N 3.21Å |
| 141 | E | 39.3 | Very low | 64.5 | Low | 160 Ų | 160 | 126.9 Ų | 126.9 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 9.4 | 177.6 | -73 | 176.5 | 154.7 | 0 | 0 | 113.9 | L137 | L137-E141 PolarHBondContact O-N 3.36Å; L137-E141 VanDerWaalsContact O-N 3.16Å |
| 142 | S | 48.4 | Very low | 62.4 | Low | 76 Ų | 76 | 127 Ų | 127 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -79.4 | 139.6 | 169.8 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | L139 K140 V144 | L139-S142 PolarHBondContact O-OG 3.01Å; K140-S142 PolarHBondContact O-N 3.21Å; S142-V144 PolarHBondContact O-N 3.41Å |
| 143 | P | 46.1 | Very low | 60.5 | Low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 64% | 0.638 | S | S | * | * | trans | -74.9 | 103.9 | -170.5 | 29.6 | -34.6 | 0 | 0 | 0 | 111.3 | ||||
| 144 | V | 45.1 | Very low | 58.9 | Low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | trans | -75.5 | 126 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 109 | S142 L149 | S142-V144 PolarHBondContact O-N 3.41Å; V144-L149 HydrophobicContact CG1-CD1 4.08Å; V144-L149 HydrophobicContact CG1-CG 4.45Å | ||
| 145 | T | 53.8 | Low | 57.4 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | trans | -73.6 | 139.1 | -178.9 | 41.7 | 0 | 0 | 0 | 0 | 112.7 | E147 | T145-E147 VanDerWaalsContact C-N 3.31Å; T145-E147 PolarHBondContact O-N 2.95Å; T145-E147 VanDerWaalsContact O-N 3.15Å | ||
| 146 | E | 45.8 | Very low | 56.2 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -12.8 | -162.6 | -65 | 176.5 | 124.2 | 0 | 0 | 116.6 | ||
| 147 | E | 47.8 | Very low | 55.7 | Low | 184 Ų | 184 | 119.2 Ų | 119.2 | 86% | 0.86 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -25.5 | -168.1 | -69.7 | -171.1 | 122.1 | 0 | 0 | 115.9 | T145 | T145-E147 VanDerWaalsContact C-N 3.31Å; T145-E147 PolarHBondContact O-N 2.95Å; T145-E147 VanDerWaalsContact O-N 3.15Å |
| 148 | D | 48.2 | Very low | 55.8 | Low | 144 Ų | 144 | 119.8 Ų | 119.8 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -16.2 | 178 | -80.2 | -37.3 | 0 | 0 | 0 | 113.4 | ||
| 149 | L | 54.2 | Low | 56.2 | Low | 65 Ų | 65 | 121.7 Ų | 121.7 | 34% | 0.34 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.6 | -50.2 | -173.7 | -83.4 | 154.3 | 0 | 0 | 0 | 112.2 | V144 K151 H152 E153 | V144-L149 HydrophobicContact CG1-CD1 4.08Å; V144-L149 HydrophobicContact CG1-CG 4.45Å; L149-K151 VanDerWaalsContact C-N 3.26Å; L149-K151 PolarHBondContact O-N 3.46Å; L149-H152 PolarHBondContact O-N 2.87Å; L149-E153 HydrophobicContact CB-CG 4.18Å; L149-E153 HydrophobicContact CD2-CG 4.1Å; L149-E153 VanDerWaalsContact O-CB 3.29Å; L149-E153 WeakPolarHBondContact O-CB 3.44Å; L149-E153 VanDerWaalsContact O-CG 3.27Å; L149-E153 WeakPolarHBondContact O-CG 3.29Å; L149-E153 PolarHBondContact O-N 2.94Å |
| 150 | Q | 53.2 | Low | 57 | Low | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.4 | -19.3 | -162.2 | -66.4 | 171.4 | 0.9 | 0 | 0 | 116.1 | E153 | Q150-E153 WeakPolarHBondContact CA-OE2 3.47Å |
| 151 | K | 50.5 | Low | 58.3 | Low | 195 Ų | 195 | 116 Ų | 116 | 85% | 0.848 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -96.4 | -28.4 | 174.9 | -76.9 | 179 | -179.1 | 168 | 0 | 113.8 | L149 | L149-K151 VanDerWaalsContact C-N 3.26Å; L149-K151 PolarHBondContact O-N 3.46Å |
| 152 | H | 50.8 | Low | 60.7 | Low | 134 Ų | 134 | 113.1 Ų | 113.1 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -83.8 | -36.2 | 177 | -149.9 | -87.8 | 0 | 0 | 0 | 110.5 | L149 A154 Q155 T156 | L149-H152 PolarHBondContact O-N 2.87Å; H152-A154 PolarHBondContact O-N 2.85Å; H152-Q155 PolarHBondContact O-N 2.91Å; H152-T156 VanDerWaalsContact ND1-CG2 3.32Å; H152-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H152-T156 PolarHBondContact O-N 3.39Å; H152-T156 PolarHBondContact O-OG1 2.83Å; H152-T156 VanDerWaalsContact O-OG1 3.11Å |
| 153 | E | 55.9 | Low | 62.8 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -53 | -43.7 | 176.4 | -82.6 | 177.7 | 146.2 | 0 | 0 | 113.2 | L149 Q150 Q155 T156 S157 | L149-E153 HydrophobicContact CB-CG 4.18Å; L149-E153 HydrophobicContact CD2-CG 4.1Å; L149-E153 VanDerWaalsContact O-CB 3.29Å; L149-E153 WeakPolarHBondContact O-CB 3.44Å; L149-E153 VanDerWaalsContact O-CG 3.27Å; L149-E153 WeakPolarHBondContact O-CG 3.29Å; L149-E153 PolarHBondContact O-N 2.94Å; Q150-E153 WeakPolarHBondContact CA-OE2 3.47Å; E153-Q155 VanDerWaalsContact C-N 3.31Å; E153-Q155 PolarHBondContact O-N 2.95Å; E153-T156 WeakPolarHBondContact CA-OG1 3.18Å; E153-T156 PolarHBondContact O-N 3.01Å; E153-T156 PolarHBondContact O-OG1 3.36Å; E153-S157 WeakPolarHBondContact O-CA 3.22Å; E153-S157 WeakPolarHBondContact O-CB 3.1Å; E153-S157 PolarHBondContact O-N 3.36Å |
| 154 | A | 57.8 | Low | 65 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -41.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H152 E158 | H152-A154 PolarHBondContact O-N 2.85Å; A154-E158 WeakPolarHBondContact O-CB 3.33Å; A154-E158 PolarHBondContact O-N 2.93Å; A154-E158 VanDerWaalsContact O-N 3.14Å |
| 155 | Q | 59.3 | Low | 67.3 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -87.9 | -21.8 | -177 | -154.6 | -178.7 | 49.8 | 0 | 0 | 113.4 | H152 E153 K159 | H152-Q155 PolarHBondContact O-N 2.91Å; E153-Q155 VanDerWaalsContact C-N 3.31Å; E153-Q155 PolarHBondContact O-N 2.95Å; Q155-K159 WeakPolarHBondContact O-CD 3.41Å; Q155-K159 WeakPolarHBondContact O-CG 3.23Å |
| 156 | T | 63.2 | Low | 69.3 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 25% | 0.252 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -79.8 | -41.5 | 167.4 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | H152 E153 E158 K159 E160 | H152-T156 VanDerWaalsContact ND1-CG2 3.32Å; H152-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H152-T156 PolarHBondContact O-N 3.39Å; H152-T156 PolarHBondContact O-OG1 2.83Å; H152-T156 VanDerWaalsContact O-OG1 3.11Å; E153-T156 WeakPolarHBondContact CA-OG1 3.18Å; E153-T156 PolarHBondContact O-N 3.01Å; E153-T156 PolarHBondContact O-OG1 3.36Å; T156-E158 VanDerWaalsContact C-N 3.31Å; T156-E158 PolarHBondContact O-N 3.19Å; T156-K159 CarbonylContact O-C 3.57Å; T156-K159 PolarHBondContact O-N 3.31Å; T156-K159 VanDerWaalsContact O-N 3.08Å; T156-E160 WeakPolarHBondContact O-CB 3.27Å; T156-E160 VanDerWaalsContact O-CG 3.3Å; T156-E160 WeakPolarHBondContact O-CG 3.43Å; T156-E160 PolarHBondContact O-N 3Å |
| 157 | S | 74.8 | Confident | 71.7 | Confident | 67 Ų | 67 | 110 Ų | 110 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -38.3 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | E153 E160 S161 | E153-S157 WeakPolarHBondContact O-CA 3.22Å; E153-S157 WeakPolarHBondContact O-CB 3.1Å; E153-S157 PolarHBondContact O-N 3.36Å; S157-E160 PolarHBondContact O-N 3.35Å; S157-S161 WeakPolarHBondContact O-CB 3.47Å; S157-S161 PolarHBondContact O-N 2.83Å |
| 158 | E | 78.2 | Confident | 74.1 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 173.4 | -169 | 179.5 | -166 | 0 | 0 | 112.1 | A154 T156 S161 Q162 | A154-E158 WeakPolarHBondContact O-CB 3.33Å; A154-E158 PolarHBondContact O-N 2.93Å; A154-E158 VanDerWaalsContact O-N 3.14Å; T156-E158 VanDerWaalsContact C-N 3.31Å; T156-E158 PolarHBondContact O-N 3.19Å; E158-S161 PolarHBondContact O-N 2.89Å; E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 2.8Å |
| 159 | K | 82.9 | Confident | 76.4 | Confident | 120 Ų | 120 | 103 Ų | 103 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 175.9 | -69.6 | 170.1 | -173.1 | 167.4 | 0 | 112.1 | Q155 T156 Q162 V163 | Q155-K159 WeakPolarHBondContact O-CD 3.41Å; Q155-K159 WeakPolarHBondContact O-CG 3.23Å; T156-K159 CarbonylContact O-C 3.57Å; T156-K159 PolarHBondContact O-N 3.31Å; T156-K159 VanDerWaalsContact O-N 3.08Å; K159-Q162 PolarHBondContact O-N 3.22Å; K159-V163 WeakPolarHBondContact O-CG2 3.33Å; K159-V163 PolarHBondContact O-N 2.82Å |
| 160 | E | 82.7 | Confident | 78.5 | Confident | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.1 | -74 | 166.3 | -170.7 | 0 | 0 | 110.7 | T156 S157 Q162 V163 I164 | T156-E160 WeakPolarHBondContact O-CB 3.27Å; T156-E160 VanDerWaalsContact O-CG 3.3Å; T156-E160 WeakPolarHBondContact O-CG 3.43Å; T156-E160 PolarHBondContact O-N 3Å; S157-E160 PolarHBondContact O-N 3.35Å; E160-Q162 VanDerWaalsContact C-N 3.35Å; E160-Q162 PolarHBondContact O-N 2.86Å; E160-V163 CarbonylContact O-C 3.6Å; E160-V163 PolarHBondContact O-N 2.82Å; E160-V163 VanDerWaalsContact O-N 3.12Å; E160-I164 WeakPolarHBondContact O-CB 3.39Å; E160-I164 VanDerWaalsContact O-CG1 3.24Å; E160-I164 WeakPolarHBondContact O-CG1 3.39Å; E160-I164 PolarHBondContact O-N 2.85Å |
| 161 | S | 85.9 | Confident | 80.6 | Confident | 71 Ų | 71 | 98.9 Ų | 98.9 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S157 E158 V163 I164 Q165 | S157-S161 WeakPolarHBondContact O-CB 3.47Å; S157-S161 PolarHBondContact O-N 2.83Å; E158-S161 PolarHBondContact O-N 2.89Å; S161-V163 PolarHBondContact O-N 3.44Å; S161-I164 PolarHBondContact O-N 2.95Å; S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 2.87Å |
| 162 | Q | 90.4 | Very high | 82.8 | Confident | 100 Ų | 100 | 92 Ų | 92 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 172.5 | -72.3 | 176.3 | 23.8 | 0 | 0 | 113 | E158 K159 E160 K166 | E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 2.8Å; K159-Q162 PolarHBondContact O-N 3.22Å; E160-Q162 VanDerWaalsContact C-N 3.35Å; E160-Q162 PolarHBondContact O-N 2.86Å; Q162-K166 VanDerWaalsContact O-CG 3.29Å; Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 3.43Å; Q162-K166 VanDerWaalsContact O-N 3.1Å |
| 163 | V | 92.3 | Very high | 85.1 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | K159 E160 S161 Q165 K166 L167 | K159-V163 WeakPolarHBondContact O-CG2 3.33Å; K159-V163 PolarHBondContact O-N 2.82Å; E160-V163 CarbonylContact O-C 3.6Å; E160-V163 PolarHBondContact O-N 2.82Å; E160-V163 VanDerWaalsContact O-N 3.12Å; S161-V163 PolarHBondContact O-N 3.44Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-Q165 PolarHBondContact O-N 3.27Å; V163-K166 PolarHBondContact O-N 2.95Å; V163-L167 HydrophobicContact CG1-CD1 3.94Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.49Å; V163-L167 WeakPolarHBondContact O-CG 3.19Å; V163-L167 PolarHBondContact O-N 2.86Å |
| 164 | I | 92.1 | Very high | 87 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 176.1 | -70.4 | 163.7 | 0 | 0 | 0 | 110.5 | E160 S161 L167 K168 | E160-I164 WeakPolarHBondContact O-CB 3.39Å; E160-I164 VanDerWaalsContact O-CG1 3.24Å; E160-I164 WeakPolarHBondContact O-CG1 3.39Å; E160-I164 PolarHBondContact O-N 2.85Å; S161-I164 PolarHBondContact O-N 2.95Å; I164-L167 PolarHBondContact O-N 3.42Å; I164-K168 VanDerWaalsContact O-CB 3.3Å; I164-K168 WeakPolarHBondContact O-CB 3.25Å; I164-K168 PolarHBondContact O-N 3.44Å |
| 165 | Q | 94.3 | Very high | 89 | Confident | 88 Ų | 88 | 94.8 Ų | 94.8 | 41% | 0.411 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -45 | 175.4 | -173.6 | 60.1 | 43.9 | 0 | 0 | 111.4 | S161 V163 L167 K168 D169 | S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 2.87Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-Q165 PolarHBondContact O-N 3.27Å; Q165-L167 PolarHBondContact O-N 2.91Å; Q165-K168 WeakPolarHBondContact O-CB 3.42Å; Q165-K168 PolarHBondContact O-N 3.22Å; Q165-D169 PolarHBondContact NE2-OD1 3.44Å; Q165-D169 PolarHBondContact O-N 3.31Å |
| 166 | K | 95.9 | Very high | 90.8 | Very high | 138 Ų | 138 | 93.1 Ų | 93.1 | 60% | 0.6 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 175.8 | -74.1 | 169.3 | -177.7 | 173.1 | 0 | 113 | Q162 V163 L170 | Q162-K166 VanDerWaalsContact O-CG 3.29Å; Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 3.43Å; Q162-K166 VanDerWaalsContact O-N 3.1Å; V163-K166 PolarHBondContact O-N 2.95Å; K166-L170 WeakPolarHBondContact O-CB 3.49Å; K166-L170 PolarHBondContact O-N 3.48Å |
| 167 | L | 96.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 97.2 Ų | 97.2 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 174.7 | -73.4 | 171.8 | 0 | 0 | 0 | 111.4 | V163 I164 Q165 L170 A171 | V163-L167 HydrophobicContact CG1-CD1 3.94Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.49Å; V163-L167 WeakPolarHBondContact O-CG 3.19Å; V163-L167 PolarHBondContact O-N 2.86Å; I164-L167 PolarHBondContact O-N 3.42Å; Q165-L167 PolarHBondContact O-N 2.91Å; L167-L170 PolarHBondContact O-N 3.25Å; L167-A171 VanDerWaalsContact O-CB 3.28Å; L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 2.92Å |
| 168 | K | 97.1 | Very high | 93.6 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -49.1 | 173.9 | -173.9 | -176.6 | 175.1 | -174 | 0 | 111.2 | I164 Q165 L170 A171 D172 | I164-K168 VanDerWaalsContact O-CB 3.3Å; I164-K168 WeakPolarHBondContact O-CB 3.25Å; I164-K168 PolarHBondContact O-N 3.44Å; Q165-K168 WeakPolarHBondContact O-CB 3.42Å; Q165-K168 PolarHBondContact O-N 3.22Å; K168-L170 VanDerWaalsContact C-N 3.27Å; K168-L170 PolarHBondContact O-N 3.41Å; K168-A171 CarbonylContact O-C 3.59Å; K168-A171 PolarHBondContact O-N 2.97Å; K168-A171 VanDerWaalsContact O-N 3.13Å; K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.85Å |
| 169 | D | 96.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 35% | 0.348 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.6 | -62.4 | -20.3 | 0 | 0 | 0 | 111.7 | Q165 K173 | Q165-D169 PolarHBondContact NE2-OD1 3.44Å; Q165-D169 PolarHBondContact O-N 3.31Å; D169-K173 WeakPolarHBondContact O-CB 3.47Å; D169-K173 WeakPolarHBondContact O-CD 3.35Å; D169-K173 VanDerWaalsContact O-CG 3.24Å; D169-K173 WeakPolarHBondContact O-CG 3.28Å; D169-K173 PolarHBondContact O-N 3.35Å |
| 170 | L | 97.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 96.6 Ų | 96.6 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 174.9 | -176.2 | 62.9 | 0 | 0 | 0 | 111.7 | K166 L167 K168 D172 K173 Q174 | K166-L170 WeakPolarHBondContact O-CB 3.49Å; K166-L170 PolarHBondContact O-N 3.48Å; L167-L170 PolarHBondContact O-N 3.25Å; K168-L170 VanDerWaalsContact C-N 3.27Å; K168-L170 PolarHBondContact O-N 3.41Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-K173 PolarHBondContact O-N 3.04Å; L170-Q174 WeakPolarHBondContact O-CB 3.47Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 3.03Å |
| 171 | A | 97.6 | Very high | 96 | Very high | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.2 | -30.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L167 K168 R175 | L167-A171 VanDerWaalsContact O-CB 3.28Å; L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 2.92Å; K168-A171 CarbonylContact O-C 3.59Å; K168-A171 PolarHBondContact O-N 2.97Å; K168-A171 VanDerWaalsContact O-N 3.13Å; A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.33Å; A171-R175 VanDerWaalsContact O-N 3.12Å; A171-R175 PolarHBondContact O-NE 2.99Å; A171-R175 PolarHBondContact O-NH2 3.15Å |
| 172 | D | 97.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 96.6 Ų | 96.6 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -49.3 | 170.4 | -74.1 | -36.3 | 0 | 0 | 0 | 109.5 | K168 L170 Q174 R175 D176 | K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.85Å; L170-D172 VanDerWaalsContact C-N 3.35Å; D172-Q174 PolarHBondContact O-N 2.78Å; D172-R175 WeakPolarHBondContact O-CB 3.42Å; D172-R175 PolarHBondContact O-N 3.39Å; D172-R175 VanDerWaalsContact O-N 3.14Å; D172-R175 IonicContact OD1-CZ 3.07Å; D172-R175 IonicContact OD1-NH1 2.7Å; D172-R175 PolarHBondContact OD1-NH1 3.48Å; D172-R175 IonicContact OD1-NH2 2.67Å; D172-R175 PolarHBondContact OD1-NH2 2.75Å; D172-D176 PolarHBondContact O-N 3.24Å |
| 173 | K | 97.8 | Very high | 97 | Very high | 138 Ų | 138 | 97.8 Ų | 97.8 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58 | -45 | 174.6 | -75.4 | 167.8 | -175.7 | 175.1 | 0 | 113.4 | D169 L170 R175 D176 E177 | D169-K173 WeakPolarHBondContact O-CB 3.47Å; D169-K173 WeakPolarHBondContact O-CD 3.35Å; D169-K173 VanDerWaalsContact O-CG 3.24Å; D169-K173 WeakPolarHBondContact O-CG 3.28Å; D169-K173 PolarHBondContact O-N 3.35Å; L170-K173 PolarHBondContact O-N 3.04Å; K173-R175 VanDerWaalsContact C-N 3.31Å; K173-R175 PolarHBondContact O-N 3.34Å; K173-D176 PolarHBondContact O-N 3.22Å; K173-D176 VanDerWaalsContact O-N 3.17Å; K173-E177 WeakPolarHBondContact O-CB 3.31Å; K173-E177 PolarHBondContact O-N 3.45Å |
| 174 | Q | 97.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 177 | -75.4 | 179 | -45.6 | 0 | 0 | 111.6 | L170 D172 E177 I178 | L170-Q174 WeakPolarHBondContact O-CB 3.47Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 3.03Å; D172-Q174 PolarHBondContact O-N 2.78Å; Q174-E177 PolarHBondContact O-N 3.24Å; Q174-I178 WeakPolarHBondContact O-CB 3.31Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 WeakPolarHBondContact O-CG1 3.38Å; Q174-I178 PolarHBondContact O-N 3.14Å |
| 175 | R | 98.3 | Very high | 97.6 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 172.5 | -86.7 | 177.1 | -81.5 | 121.7 | -3.3 | 112.9 | A171 D172 K173 R179 | A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.33Å; A171-R175 VanDerWaalsContact O-N 3.12Å; A171-R175 PolarHBondContact O-NE 2.99Å; A171-R175 PolarHBondContact O-NH2 3.15Å; D172-R175 WeakPolarHBondContact O-CB 3.42Å; D172-R175 PolarHBondContact O-N 3.39Å; D172-R175 VanDerWaalsContact O-N 3.14Å; D172-R175 IonicContact OD1-CZ 3.07Å; D172-R175 IonicContact OD1-NH1 2.7Å; D172-R175 PolarHBondContact OD1-NH1 3.48Å; D172-R175 IonicContact OD1-NH2 2.67Å; D172-R175 PolarHBondContact OD1-NH2 2.75Å; K173-R175 VanDerWaalsContact C-N 3.31Å; K173-R175 PolarHBondContact O-N 3.34Å; R175-R179 WeakPolarHBondContact O-CB 3.29Å; R175-R179 VanDerWaalsContact O-CG 3.27Å; R175-R179 WeakPolarHBondContact O-CG 3.22Å; R175-R179 PolarHBondContact O-N 3.19Å; R175-R179 VanDerWaalsContact O-N 3.12Å; R175-R179 PolarHBondContact O-NE 3.06Å |
| 176 | D | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 96.7 Ų | 96.7 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.9 | -39.5 | 173.9 | -68.4 | -21.9 | 0 | 0 | 0 | 111.9 | D172 K173 R179 A180 | D172-D176 PolarHBondContact O-N 3.24Å; K173-D176 PolarHBondContact O-N 3.22Å; K173-D176 VanDerWaalsContact O-N 3.17Å; D176-R179 PolarHBondContact O-N 3.26Å; D176-R179 IonicContact OD1-CZ 3.5Å; D176-R179 IonicContact OD1-NE 3.64Å; D176-R179 IonicContact OD1-NH2 2.65Å; D176-R179 PolarHBondContact OD1-NH2 3.25Å; D176-A180 WeakPolarHBondContact O-CB 3.48Å; D176-A180 PolarHBondContact O-N 2.95Å |
| 177 | E | 98.2 | Very high | 97.9 | Very high | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.6 | -43.9 | 176.1 | -174.6 | 171.3 | -162.6 | 0 | 0 | 112.2 | K173 Q174 A180 K181 | K173-E177 WeakPolarHBondContact O-CB 3.31Å; K173-E177 PolarHBondContact O-N 3.45Å; Q174-E177 PolarHBondContact O-N 3.24Å; E177-A180 PolarHBondContact O-N 3.22Å; E177-K181 WeakPolarHBondContact O-CB 3.47Å; E177-K181 WeakPolarHBondContact O-CG 3.21Å; E177-K181 PolarHBondContact O-N 3.41Å |
| 178 | I | 97.6 | Very high | 98 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 171.7 | -70.8 | 163 | 0 | 0 | 0 | 109.7 | Q174 A180 K181 D182 | Q174-I178 WeakPolarHBondContact O-CB 3.31Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 WeakPolarHBondContact O-CG1 3.38Å; Q174-I178 PolarHBondContact O-N 3.14Å; I178-A180 VanDerWaalsContact C-N 3.33Å; I178-A180 PolarHBondContact O-N 2.87Å; I178-K181 CarbonylContact O-C 3.59Å; I178-K181 PolarHBondContact O-N 3.2Å; I178-K181 VanDerWaalsContact O-N 3.08Å; I178-D182 VanDerWaalsContact O-CG 3.27Å; I178-D182 PolarHBondContact O-N 3.03Å |
| 179 | R | 98.6 | Very high | 98 | Very high | 131 Ų | 131 | 95.9 Ų | 95.9 | 49% | 0.494 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 178 | -77.5 | -176.5 | -75.3 | -155.5 | 4.3 | 112.5 | R175 D176 K181 D182 H183 | R175-R179 WeakPolarHBondContact O-CB 3.29Å; R175-R179 VanDerWaalsContact O-CG 3.27Å; R175-R179 WeakPolarHBondContact O-CG 3.22Å; R175-R179 PolarHBondContact O-N 3.19Å; R175-R179 VanDerWaalsContact O-N 3.12Å; R175-R179 PolarHBondContact O-NE 3.06Å; D176-R179 PolarHBondContact O-N 3.26Å; D176-R179 IonicContact OD1-CZ 3.5Å; D176-R179 IonicContact OD1-NE 3.64Å; D176-R179 IonicContact OD1-NH2 2.65Å; D176-R179 PolarHBondContact OD1-NH2 3.25Å; R179-K181 VanDerWaalsContact C-N 3.33Å; R179-D182 PolarHBondContact O-N 3Å; R179-H183 PolarHBondContact O-N 2.94Å; R179-H183 VanDerWaalsContact O-N 3.11Å; R179-H183 PolarHBondContact O-ND1 2.9Å |
| 180 | A | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 98.3 Ų | 98.3 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D176 E177 I178 H183 E184 | D176-A180 WeakPolarHBondContact O-CB 3.48Å; D176-A180 PolarHBondContact O-N 2.95Å; E177-A180 PolarHBondContact O-N 3.22Å; I178-A180 VanDerWaalsContact C-N 3.33Å; I178-A180 PolarHBondContact O-N 2.87Å; A180-H183 PolarHBondContact O-N 3.45Å; A180-E184 PolarHBondContact O-N 2.95Å |
| 181 | K | 98.1 | Very high | 98.1 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 175.9 | -74.3 | -73.4 | 163.8 | -163.7 | 0 | 112.9 | E177 I178 R179 H183 E184 L185 | E177-K181 WeakPolarHBondContact O-CB 3.47Å; E177-K181 WeakPolarHBondContact O-CG 3.21Å; E177-K181 PolarHBondContact O-N 3.41Å; I178-K181 CarbonylContact O-C 3.59Å; I178-K181 PolarHBondContact O-N 3.2Å; I178-K181 VanDerWaalsContact O-N 3.08Å; R179-K181 VanDerWaalsContact C-N 3.33Å; K181-H183 VanDerWaalsContact C-N 3.33Å; K181-H183 PolarHBondContact O-N 3.19Å; K181-E184 IonicContact NZ-OE2 3.33Å; K181-E184 PolarHBondContact NZ-OE2 2.74Å; K181-E184 PolarHBondContact O-N 2.73Å; K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 WeakPolarHBondContact O-CG 3.45Å; K181-L185 PolarHBondContact O-N 3.13Å |
| 182 | D | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 172.7 | -66.3 | -30.8 | 0 | 0 | 0 | 110.9 | I178 R179 L185 T186 | I178-D182 VanDerWaalsContact O-CG 3.27Å; I178-D182 PolarHBondContact O-N 3.03Å; R179-D182 PolarHBondContact O-N 3Å; D182-L185 PolarHBondContact O-N 3.24Å; D182-T186 PolarHBondContact O-N 3.33Å; D182-T186 PolarHBondContact O-OG1 3.13Å |
| 183 | H | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -37.1 | 176.2 | -71.8 | 63 | 0 | 0 | 0 | 112.3 | R179 A180 K181 T186 L187 | R179-H183 PolarHBondContact O-N 2.94Å; R179-H183 VanDerWaalsContact O-N 3.11Å; R179-H183 PolarHBondContact O-ND1 2.9Å; A180-H183 PolarHBondContact O-N 3.45Å; K181-H183 VanDerWaalsContact C-N 3.33Å; K181-H183 PolarHBondContact O-N 3.19Å; H183-T186 WeakPolarHBondContact CA-OG1 3.48Å; H183-T186 PolarHBondContact O-OG1 3.37Å; H183-L187 WeakPolarHBondContact O-CG 3.26Å; H183-L187 PolarHBondContact O-N 2.94Å |
| 184 | E | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 99 Ų | 99 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 172.2 | -172.2 | 179 | -175.3 | 0 | 0 | 110.6 | A180 K181 T186 L187 R188 | A180-E184 PolarHBondContact O-N 2.95Å; K181-E184 IonicContact NZ-OE2 3.33Å; K181-E184 PolarHBondContact NZ-OE2 2.74Å; K181-E184 PolarHBondContact O-N 2.73Å; E184-T186 PolarHBondContact O-N 2.9Å; E184-L187 PolarHBondContact O-N 3.5Å; E184-R188 VanDerWaalsContact O-CG 3.3Å; E184-R188 WeakPolarHBondContact O-CG 3.41Å; E184-R188 PolarHBondContact O-N 2.85Å; E184-R188 IonicContact OE1-NH2 2.68Å |
| 185 | L | 98.2 | Very high | 98.3 | Very high | 103 Ų | 103 | 99.6 Ų | 99.6 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.7 | -73.9 | 170.1 | 0 | 0 | 0 | 112.7 | K181 D182 R188 N189 | K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 WeakPolarHBondContact O-CG 3.45Å; K181-L185 PolarHBondContact O-N 3.13Å; D182-L185 PolarHBondContact O-N 3.24Å; L185-R188 PolarHBondContact O-N 2.84Å; L185-N189 PolarHBondContact O-N 3.47Å |
| 186 | T | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | D182 H183 E184 R188 N189 E190 | D182-T186 PolarHBondContact O-N 3.33Å; D182-T186 PolarHBondContact O-OG1 3.13Å; H183-T186 WeakPolarHBondContact CA-OG1 3.48Å; H183-T186 PolarHBondContact O-OG1 3.37Å; E184-T186 PolarHBondContact O-N 2.9Å; T186-R188 VanDerWaalsContact C-N 3.34Å; T186-R188 PolarHBondContact O-N 2.91Å; T186-N189 PolarHBondContact O-N 3.36Å; T186-E190 WeakPolarHBondContact O-CG 3.43Å; T186-E190 PolarHBondContact O-N 3.12Å |
| 187 | L | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.9 | -67.9 | 170.2 | 0 | 0 | 0 | 112 | H183 E184 N189 E190 D191 | H183-L187 WeakPolarHBondContact O-CG 3.26Å; H183-L187 PolarHBondContact O-N 2.94Å; E184-L187 PolarHBondContact O-N 3.5Å; L187-N189 VanDerWaalsContact C-N 3.34Å; L187-N189 PolarHBondContact O-N 3.02Å; L187-E190 PolarHBondContact O-N 2.85Å; L187-D191 PolarHBondContact O-N 3.04Å |
| 188 | R | 98.2 | Very high | 98.3 | Very high | 146 Ų | 146 | 100.3 Ų | 100.3 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -33.6 | 175 | -65.5 | -59 | -173.6 | 143.7 | 8.5 | 112.8 | E184 L185 T186 V192 | E184-R188 VanDerWaalsContact O-CG 3.3Å; E184-R188 WeakPolarHBondContact O-CG 3.41Å; E184-R188 PolarHBondContact O-N 2.85Å; E184-R188 IonicContact OE1-NH2 2.68Å; L185-R188 PolarHBondContact O-N 2.84Å; T186-R188 VanDerWaalsContact C-N 3.34Å; T186-R188 PolarHBondContact O-N 2.91Å; R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.26Å; R188-V192 PolarHBondContact O-N 3.29Å |
| 189 | N | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 101.1 Ų | 101.1 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 173.7 | -73.3 | -18.3 | 0 | 0 | 0 | 111.2 | L185 T186 L187 D191 V192 E193 | L185-N189 PolarHBondContact O-N 3.47Å; T186-N189 PolarHBondContact O-N 3.36Å; L187-N189 VanDerWaalsContact C-N 3.34Å; L187-N189 PolarHBondContact O-N 3.02Å; N189-D191 VanDerWaalsContact C-N 3.34Å; N189-D191 PolarHBondContact O-N 2.89Å; N189-V192 PolarHBondContact O-N 3.45Å; N189-V192 VanDerWaalsContact O-N 3.13Å; N189-E193 WeakPolarHBondContact O-CG 3.42Å; N189-E193 PolarHBondContact O-N 3.41Å |
| 190 | E | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 173.8 | -70.3 | 170.7 | -168.6 | 0 | 0 | 111.8 | T186 L187 V192 E193 A194 | T186-E190 WeakPolarHBondContact O-CG 3.43Å; T186-E190 PolarHBondContact O-N 3.12Å; L187-E190 PolarHBondContact O-N 2.85Å; E190-V192 PolarHBondContact O-N 3.07Å; E190-E193 PolarHBondContact O-N 2.96Å; E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.49Å |
| 191 | D | 98.2 | Very high | 98.3 | Very high | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 172.9 | -78.4 | -25.6 | 0 | 0 | 0 | 112 | L187 N189 A194 L195 | L187-D191 PolarHBondContact O-N 3.04Å; N189-D191 VanDerWaalsContact C-N 3.34Å; N189-D191 PolarHBondContact O-N 2.89Å; D191-A194 PolarHBondContact O-N 2.84Å; D191-L195 WeakPolarHBondContact O-CB 3.5Å; D191-L195 VanDerWaalsContact O-CG 3.31Å; D191-L195 WeakPolarHBondContact O-CG 3.32Å; D191-L195 PolarHBondContact O-N 2.86Å |
| 192 | V | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 106.9 Ų | 106.9 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 179 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | R188 N189 E190 L195 Q196 | R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.26Å; R188-V192 PolarHBondContact O-N 3.29Å; N189-V192 PolarHBondContact O-N 3.45Å; N189-V192 VanDerWaalsContact O-N 3.13Å; E190-V192 PolarHBondContact O-N 3.07Å; V192-L195 PolarHBondContact O-N 3.3Å; V192-Q196 HydrophobicContact CG1-CG 4.46Å; V192-Q196 WeakPolarHBondContact O-CB 3.45Å; V192-Q196 VanDerWaalsContact O-CG 3.29Å; V192-Q196 WeakPolarHBondContact O-CG 2.92Å; V192-Q196 PolarHBondContact O-N 3.11Å |
| 193 | E | 98.5 | Very high | 98.3 | Very high | 121 Ų | 121 | 106.7 Ų | 106.7 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 175.4 | -73.2 | 179.9 | -166.1 | 0 | 0 | 111.4 | N189 E190 L195 Q196 L197 | N189-E193 WeakPolarHBondContact O-CG 3.42Å; N189-E193 PolarHBondContact O-N 3.41Å; E190-E193 PolarHBondContact O-N 2.96Å; E193-L195 PolarHBondContact O-N 3.49Å; E193-Q196 PolarHBondContact O-N 2.95Å; E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 3.37Å |
| 194 | A | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 109 Ų | 109 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E190 D191 L197 Q198 | E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.49Å; D191-A194 PolarHBondContact O-N 2.84Å; A194-L197 PolarHBondContact O-N 3.28Å; A194-Q198 WeakPolarHBondContact O-CG 3.48Å; A194-Q198 PolarHBondContact O-N 2.85Å |
| 195 | L | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 108.8 Ų | 108.8 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 175.1 | -72.7 | 171.5 | 0 | 0 | 0 | 112.1 | D191 V192 E193 Q198 Q199 | D191-L195 WeakPolarHBondContact O-CB 3.5Å; D191-L195 VanDerWaalsContact O-CG 3.31Å; D191-L195 WeakPolarHBondContact O-CG 3.32Å; D191-L195 PolarHBondContact O-N 2.86Å; V192-L195 PolarHBondContact O-N 3.3Å; E193-L195 PolarHBondContact O-N 3.49Å; L195-Q198 PolarHBondContact O-N 2.94Å; L195-Q199 WeakPolarHBondContact O-CB 3.34Å; L195-Q199 PolarHBondContact O-N 3.17Å |
| 196 | Q | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 108.3 Ų | 108.3 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 173.6 | -74.8 | 175.2 | 8.6 | 0 | 0 | 111.4 | V192 E193 Q198 Q199 H200 | V192-Q196 HydrophobicContact CG1-CG 4.46Å; V192-Q196 WeakPolarHBondContact O-CB 3.45Å; V192-Q196 VanDerWaalsContact O-CG 3.29Å; V192-Q196 WeakPolarHBondContact O-CG 2.92Å; V192-Q196 PolarHBondContact O-N 3.11Å; E193-Q196 PolarHBondContact O-N 2.95Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 2.86Å; Q196-Q199 WeakPolarHBondContact O-CB 3.39Å; Q196-Q199 PolarHBondContact O-N 3.14Å; Q196-H200 PolarHBondContact O-N 3.11Å; Q196-H200 PolarHBondContact O-ND1 3.33Å |
| 197 | L | 98.3 | Very high | 98.2 | Very high | 127 Ų | 127 | 109.5 Ų | 109.5 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 175.7 | -73.2 | 168.7 | 0 | 0 | 0 | 112 | E193 A194 R201 | E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 3.37Å; A194-L197 PolarHBondContact O-N 3.28Å; L197-R201 PolarHBondContact O-N 3.45Å |
| 198 | Q | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 173.6 | -69.8 | -173.9 | 2.9 | 0 | 0 | 112.3 | A194 L195 Q196 R201 L202 | A194-Q198 WeakPolarHBondContact O-CG 3.48Å; A194-Q198 PolarHBondContact O-N 2.85Å; L195-Q198 PolarHBondContact O-N 2.94Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 2.86Å; Q198-R201 PolarHBondContact O-N 2.88Å; Q198-L202 WeakPolarHBondContact O-CG 3.41Å; Q198-L202 PolarHBondContact O-N 3.35Å |
| 199 | Q | 97.9 | Very high | 98.2 | Very high | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 176.1 | -172.1 | -173.7 | 27.1 | 0 | 0 | 111.4 | L195 Q196 R201 L202 I203 | L195-Q199 WeakPolarHBondContact O-CB 3.34Å; L195-Q199 PolarHBondContact O-N 3.17Å; Q196-Q199 WeakPolarHBondContact O-CB 3.39Å; Q196-Q199 PolarHBondContact O-N 3.14Å; Q199-R201 VanDerWaalsContact C-N 3.32Å; Q199-R201 PolarHBondContact O-N 2.98Å; Q199-L202 PolarHBondContact O-N 3.07Å; Q199-I203 HydrophobicContact CG-CD1 4.03Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 2.92Å |
| 200 | H | 97.9 | Very high | 98.2 | Very high | 121 Ų | 121 | 107.6 Ų | 107.6 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 177.1 | -72.7 | 98.8 | 0 | 0 | 0 | 112.4 | Q196 I203 R204 | Q196-H200 PolarHBondContact O-N 3.11Å; Q196-H200 PolarHBondContact O-ND1 3.33Å; H200-I203 PolarHBondContact O-N 2.93Å; H200-R204 PolarHBondContact O-N 3.27Å; H200-R204 VanDerWaalsContact O-N 3.12Å |
| 201 | R | 98.6 | Very high | 98.2 | Very high | 185 Ų | 185 | 108.1 Ų | 108.1 | 70% | 0.698 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 174 | -177.1 | -179.5 | 178.1 | -174.5 | 0.3 | 111.9 | L197 Q198 Q199 R204 I205 | L197-R201 PolarHBondContact O-N 3.45Å; Q198-R201 PolarHBondContact O-N 2.88Å; Q199-R201 VanDerWaalsContact C-N 3.32Å; Q199-R201 PolarHBondContact O-N 2.98Å; R201-R204 PolarHBondContact O-N 3.46Å; R201-I205 HydrophobicContact CG-CD1 4.01Å; R201-I205 WeakPolarHBondContact O-CG1 3.22Å; R201-I205 PolarHBondContact O-N 3.42Å; R201-I205 VanDerWaalsContact O-N 3.08Å |
| 202 | L | 98.3 | Very high | 98.2 | Very high | 115 Ų | 115 | 112.1 Ų | 112.1 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 177.7 | -73.5 | 173.1 | 0 | 0 | 0 | 112.2 | Q198 Q199 R204 I205 N206 | Q198-L202 WeakPolarHBondContact O-CG 3.41Å; Q198-L202 PolarHBondContact O-N 3.35Å; Q199-L202 PolarHBondContact O-N 3.07Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 3.07Å; L202-I205 PolarHBondContact O-N 2.97Å; L202-N206 VanDerWaalsContact O-CB 3.25Å; L202-N206 WeakPolarHBondContact O-CB 3.35Å; L202-N206 PolarHBondContact O-N 2.91Å |
| 203 | I | 97.9 | Very high | 98.2 | Very high | 78 Ų | 78 | 112.3 Ų | 112.3 | 40% | 0.4 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.2 | -71.3 | 165.4 | 0 | 0 | 0 | 110.5 | Q199 H200 N206 Q207 | Q199-I203 HydrophobicContact CG-CD1 4.03Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 2.92Å; H200-I203 PolarHBondContact O-N 2.93Å; I203-N206 PolarHBondContact O-N 3.3Å; I203-Q207 WeakPolarHBondContact O-CG 3.47Å; I203-Q207 PolarHBondContact O-N 3.26Å |
| 204 | R | 98.5 | Very high | 98.1 | Very high | 175 Ų | 175 | 108.2 Ų | 108.2 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -51.9 | 177.3 | -170.6 | 178.9 | -63.5 | -164.8 | -1 | 111.7 | H200 R201 L202 N206 Q207 D208 | H200-R204 PolarHBondContact O-N 3.27Å; H200-R204 VanDerWaalsContact O-N 3.12Å; R201-R204 PolarHBondContact O-N 3.46Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 3.07Å; R204-N206 VanDerWaalsContact C-N 3.25Å; R204-N206 PolarHBondContact O-N 2.67Å; R204-Q207 WeakPolarHBondContact O-CB 3.5Å; R204-Q207 PolarHBondContact O-N 2.79Å; R204-Q207 VanDerWaalsContact O-N 3.09Å; R204-D208 PolarHBondContact O-N 3Å |
| 205 | I | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 111.2 Ų | 111.2 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.7 | -38.7 | 178.2 | -65.9 | 166.4 | 0 | 0 | 0 | 111.3 | R201 L202 D208 L209 | R201-I205 HydrophobicContact CG-CD1 4.01Å; R201-I205 WeakPolarHBondContact O-CG1 3.22Å; R201-I205 PolarHBondContact O-N 3.42Å; R201-I205 VanDerWaalsContact O-N 3.08Å; L202-I205 PolarHBondContact O-N 2.97Å; I205-D208 PolarHBondContact O-N 2.98Å; I205-L209 HydrophobicContact CG2-CD1 4.02Å; I205-L209 HydrophobicContact CG2-CG 4.42Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 3.38Å |
| 206 | N | 98 | Very high | 98.1 | Very high | 93 Ų | 93 | 111.3 Ų | 111.3 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 177.1 | -168.1 | -78.3 | 0 | 0 | 0 | 111.5 | L202 I203 R204 L209 L210 | L202-N206 VanDerWaalsContact O-CB 3.25Å; L202-N206 WeakPolarHBondContact O-CB 3.35Å; L202-N206 PolarHBondContact O-N 2.91Å; I203-N206 PolarHBondContact O-N 3.3Å; R204-N206 VanDerWaalsContact C-N 3.25Å; R204-N206 PolarHBondContact O-N 2.67Å; N206-L209 PolarHBondContact O-N 3.5Å; N206-L210 WeakPolarHBondContact O-CB 3.42Å; N206-L210 VanDerWaalsContact O-CG 3.31Å; N206-L210 WeakPolarHBondContact O-CG 3.29Å; N206-L210 PolarHBondContact O-N 3.37Å; N206-L210 WeakPolarHBondContact OD1-CD1 3.4Å |
| 207 | Q | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 111.8 Ų | 111.8 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 172.1 | -72.1 | 170.7 | -7.5 | 0 | 0 | 111.1 | I203 R204 L209 L210 H211 | I203-Q207 WeakPolarHBondContact O-CG 3.47Å; I203-Q207 PolarHBondContact O-N 3.26Å; R204-Q207 WeakPolarHBondContact O-CB 3.5Å; R204-Q207 PolarHBondContact O-N 2.79Å; R204-Q207 VanDerWaalsContact O-N 3.09Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.17Å; Q207-L210 PolarHBondContact O-N 3.15Å; Q207-L210 VanDerWaalsContact O-N 3.17Å; Q207-H211 PolarHBondContact O-N 3.26Å; Q207-H211 PolarHBondContact O-ND1 2.85Å |
| 208 | D | 97.8 | Very high | 98 | Very high | 91 Ų | 91 | 108.1 Ų | 108.1 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 179.2 | -57.5 | -29.2 | 0 | 0 | 0 | 111.5 | R204 I205 H211 R212 | R204-D208 PolarHBondContact O-N 3Å; I205-D208 PolarHBondContact O-N 2.98Å; D208-H211 PolarHBondContact O-N 3.31Å; D208-R212 WeakPolarHBondContact O-CB 3.28Å; D208-R212 PolarHBondContact O-N 3.45Å |
| 209 | L | 98.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 107.4 Ų | 107.4 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.5 | -71.7 | 172 | 0 | 0 | 0 | 113 | I205 N206 Q207 R212 T213 | I205-L209 HydrophobicContact CG2-CD1 4.02Å; I205-L209 HydrophobicContact CG2-CG 4.42Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 3.38Å; N206-L209 PolarHBondContact O-N 3.5Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.17Å; L209-R212 PolarHBondContact O-N 3.18Å; L209-T213 WeakPolarHBondContact O-CB 3.46Å; L209-T213 PolarHBondContact O-N 3.3Å; L209-T213 PolarHBondContact O-OG1 2.73Å |
| 210 | L | 98.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 175 | -74.3 | 171.3 | 0 | 0 | 0 | 111.3 | N206 Q207 T213 G214 | N206-L210 WeakPolarHBondContact O-CB 3.42Å; N206-L210 VanDerWaalsContact O-CG 3.31Å; N206-L210 WeakPolarHBondContact O-CG 3.29Å; N206-L210 PolarHBondContact O-N 3.37Å; N206-L210 WeakPolarHBondContact OD1-CD1 3.4Å; Q207-L210 PolarHBondContact O-N 3.15Å; Q207-L210 VanDerWaalsContact O-N 3.17Å; L210-T213 PolarHBondContact O-N 2.69Å; L210-G214 PolarHBondContact O-N 2.92Å |
| 211 | H | 98.1 | Very high | 97.8 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -49.6 | 174.5 | -71.1 | 90.2 | 0 | 0 | 0 | 110.8 | Q207 D208 T213 G214 L215 | Q207-H211 PolarHBondContact O-N 3.26Å; Q207-H211 PolarHBondContact O-ND1 2.85Å; D208-H211 PolarHBondContact O-N 3.31Å; H211-T213 VanDerWaalsContact C-N 3.27Å; H211-T213 PolarHBondContact O-N 3.16Å; H211-G214 PolarHBondContact O-N 3.28Å; H211-G214 VanDerWaalsContact O-N 3.1Å; H211-L215 WeakPolarHBondContact O-CD1 3.21Å; H211-L215 PolarHBondContact O-N 3.06Å |
| 212 | R | 98.4 | Very high | 97.7 | Very high | 179 Ų | 179 | 98.2 Ų | 98.2 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -39.3 | 176.9 | -169.2 | 176.5 | -176 | 109.4 | 2.4 | 112.2 | D208 L209 L215 M216 | D208-R212 WeakPolarHBondContact O-CB 3.28Å; D208-R212 PolarHBondContact O-N 3.45Å; L209-R212 PolarHBondContact O-N 3.18Å; R212-L215 PolarHBondContact O-N 2.87Å; R212-M216 VanDerWaalsContact O-CG 3.26Å; R212-M216 WeakPolarHBondContact O-CG 3.5Å; R212-M216 PolarHBondContact O-N 3.44Å |
| 213 | T | 96.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 98 Ų | 98 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | L209 L210 H211 L215 M216 E217 | L209-T213 WeakPolarHBondContact O-CB 3.46Å; L209-T213 PolarHBondContact O-N 3.3Å; L209-T213 PolarHBondContact O-OG1 2.73Å; L210-T213 PolarHBondContact O-N 2.69Å; H211-T213 VanDerWaalsContact C-N 3.27Å; H211-T213 PolarHBondContact O-N 3.16Å; T213-L215 PolarHBondContact O-N 2.92Å; T213-M216 PolarHBondContact O-N 2.82Å; T213-E217 WeakPolarHBondContact O-CB 3.08Å; T213-E217 WeakPolarHBondContact O-CG 2.9Å; T213-E217 PolarHBondContact O-N 3.19Å |
| 214 | G | 98.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 100.1 Ų | 100.1 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L210 H211 E217 A218 | L210-G214 PolarHBondContact O-N 2.92Å; H211-G214 PolarHBondContact O-N 3.28Å; H211-G214 VanDerWaalsContact O-N 3.1Å; G214-E217 PolarHBondContact O-N 2.89Å; G214-A218 WeakPolarHBondContact O-CB 2.91Å; G214-A218 PolarHBondContact O-N 3.24Å |
| 215 | L | 98.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 173.8 | -91.5 | 72.1 | 0 | 0 | 0 | 111.5 | H211 R212 T213 E217 A218 Q219 | H211-L215 WeakPolarHBondContact O-CD1 3.21Å; H211-L215 PolarHBondContact O-N 3.06Å; R212-L215 PolarHBondContact O-N 2.87Å; T213-L215 PolarHBondContact O-N 2.92Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.25Å; L215-A218 PolarHBondContact O-N 2.93Å; L215-Q219 WeakPolarHBondContact O-CG 3.46Å; L215-Q219 PolarHBondContact O-N 2.87Å |
| 216 | M | 97.3 | Very high | 97.4 | Very high | 113 Ų | 113 | 98.2 Ų | 98.2 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -38.3 | 177.2 | -68.9 | -64.8 | -57.3 | 0 | 0 | 112.1 | R212 T213 G220 | R212-M216 VanDerWaalsContact O-CG 3.26Å; R212-M216 WeakPolarHBondContact O-CG 3.5Å; R212-M216 PolarHBondContact O-N 3.44Å; T213-M216 PolarHBondContact O-N 2.82Å; M216-G220 PolarHBondContact O-N 3.39Å |
| 217 | E | 97.6 | Very high | 97.3 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 173.6 | -79.4 | -171.9 | -159.9 | 0 | 0 | 112.7 | T213 G214 L215 G220 K221 | T213-E217 WeakPolarHBondContact O-CB 3.08Å; T213-E217 WeakPolarHBondContact O-CG 2.9Å; T213-E217 PolarHBondContact O-N 3.19Å; G214-E217 PolarHBondContact O-N 2.89Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.25Å; E217-G220 PolarHBondContact O-N 2.88Å; E217-K221 WeakPolarHBondContact O-CD 3.03Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.28Å; E217-K221 PolarHBondContact O-N 2.88Å; E217-K221 IonicContact OE2-NZ 2.7Å; E217-K221 PolarHBondContact OE2-NZ 2.93Å |
| 218 | A | 96.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 99.1 Ų | 99.1 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G214 L215 G220 K221 T222 | G214-A218 WeakPolarHBondContact O-CB 2.91Å; G214-A218 PolarHBondContact O-N 3.24Å; L215-A218 PolarHBondContact O-N 2.93Å; A218-G220 VanDerWaalsContact C-N 3.33Å; A218-G220 PolarHBondContact O-N 3.5Å; A218-K221 PolarHBondContact O-N 3.33Å; A218-T222 PolarHBondContact O-N 3.36Å; A218-T222 PolarHBondContact O-OG1 3.22Å |
| 219 | Q | 97.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 173.2 | -72.9 | 175.5 | -18.7 | 0 | 0 | 111.6 | L215 K221 T222 L223 | L215-Q219 WeakPolarHBondContact O-CG 3.46Å; L215-Q219 PolarHBondContact O-N 2.87Å; Q219-K221 PolarHBondContact O-N 2.94Å; Q219-T222 PolarHBondContact O-N 2.93Å; Q219-L223 WeakPolarHBondContact O-CG 3.29Å; Q219-L223 PolarHBondContact O-N 2.85Å |
| 220 | G | 95.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 97.1 Ų | 97.1 | 28% | 0.278 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M216 E217 A218 L223 I224 | M216-G220 PolarHBondContact O-N 3.39Å; E217-G220 PolarHBondContact O-N 2.88Å; A218-G220 VanDerWaalsContact C-N 3.33Å; A218-G220 PolarHBondContact O-N 3.5Å; G220-L223 PolarHBondContact O-N 3.47Å; G220-I224 WeakPolarHBondContact O-CB 3.26Å; G220-I224 WeakPolarHBondContact O-CD1 3.42Å; G220-I224 VanDerWaalsContact O-CG1 3.22Å; G220-I224 WeakPolarHBondContact O-CG1 3.45Å; G220-I224 PolarHBondContact O-N 2.85Å |
| 221 | K | 96.7 | Very high | 96.6 | Very high | 131 Ų | 131 | 95.5 Ų | 95.5 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 175.1 | -71.4 | 161.4 | -166.9 | 160.6 | 0 | 111.5 | E217 A218 Q219 I224 Q225 | E217-K221 WeakPolarHBondContact O-CD 3.03Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.28Å; E217-K221 PolarHBondContact O-N 2.88Å; E217-K221 IonicContact OE2-NZ 2.7Å; E217-K221 PolarHBondContact OE2-NZ 2.93Å; A218-K221 PolarHBondContact O-N 3.33Å; Q219-K221 PolarHBondContact O-N 2.94Å; K221-I224 PolarHBondContact O-N 2.91Å; K221-Q225 PolarHBondContact O-N 3.35Å |
| 222 | T | 96.8 | Very high | 96.4 | Very high | 71 Ų | 71 | 92.3 Ų | 92.3 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 112 | A218 Q219 Q225 Q226 | A218-T222 PolarHBondContact O-N 3.36Å; A218-T222 PolarHBondContact O-OG1 3.22Å; Q219-T222 PolarHBondContact O-N 2.93Å; T222-Q225 PolarHBondContact O-N 3.44Å; T222-Q226 HydrophobicContact CG2-CG 4.41Å; T222-Q226 WeakPolarHBondContact O-CB 3.47Å; T222-Q226 VanDerWaalsContact O-CG 3.32Å; T222-Q226 WeakPolarHBondContact O-CG 3.31Å; T222-Q226 PolarHBondContact O-N 2.69Å |
| 223 | L | 97.4 | Very high | 96.2 | Very high | 111 Ų | 111 | 84.5 Ų | 84.5 | 58% | 0.581 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65 | -39 | 176.5 | -72.4 | 170.3 | 0 | 0 | 0 | 112.3 | Q219 G220 Q226 R227 | Q219-L223 WeakPolarHBondContact O-CG 3.29Å; Q219-L223 PolarHBondContact O-N 2.85Å; G220-L223 PolarHBondContact O-N 3.47Å; L223-Q226 PolarHBondContact O-N 3.34Å; L223-R227 VanDerWaalsContact O-CB 3.29Å; L223-R227 WeakPolarHBondContact O-CB 3.44Å; L223-R227 PolarHBondContact O-N 3.29Å |
| 224 | I | 97.4 | Very high | 96.1 | Very high | 122 Ų | 122 | 81 Ų | 81 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 173.7 | -70.1 | 164 | 0 | 0 | 0 | 110.6 | G220 K221 R227 A228 | G220-I224 WeakPolarHBondContact O-CB 3.26Å; G220-I224 WeakPolarHBondContact O-CD1 3.42Å; G220-I224 VanDerWaalsContact O-CG1 3.22Å; G220-I224 WeakPolarHBondContact O-CG1 3.45Å; G220-I224 PolarHBondContact O-N 2.85Å; K221-I224 PolarHBondContact O-N 2.91Å; I224-R227 PolarHBondContact O-N 2.94Å; I224-A228 WeakPolarHBondContact O-CB 3.5Å; I224-A228 PolarHBondContact O-N 3.25Å |
| 225 | Q | 96.8 | Very high | 95.9 | Very high | 111 Ų | 111 | 83.8 Ų | 83.8 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 176.2 | -179.6 | 179.5 | -17.2 | 0 | 0 | 111.6 | K221 T222 R227 A228 E229 | K221-Q225 PolarHBondContact O-N 3.35Å; T222-Q225 PolarHBondContact O-N 3.44Å; Q225-R227 VanDerWaalsContact C-N 3.29Å; Q225-R227 PolarHBondContact O-N 3.33Å; Q225-A228 PolarHBondContact O-N 3.4Å; Q225-A228 VanDerWaalsContact O-N 3.11Å; Q225-E229 HydrophobicContact CG-CG 4.46Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.34Å; Q225-E229 PolarHBondContact NE2-OE1 3.03Å; Q225-E229 WeakPolarHBondContact O-CG 3.33Å; Q225-E229 PolarHBondContact O-N 3.46Å |
| 226 | Q | 95.5 | Very high | 95.7 | Very high | 97 Ų | 97 | 80 Ų | 80 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 176.9 | -75.1 | 174 | -9.7 | 0 | 0 | 111.5 | T222 L223 E229 L230 | T222-Q226 HydrophobicContact CG2-CG 4.41Å; T222-Q226 WeakPolarHBondContact O-CB 3.47Å; T222-Q226 VanDerWaalsContact O-CG 3.32Å; T222-Q226 WeakPolarHBondContact O-CG 3.31Å; T222-Q226 PolarHBondContact O-N 2.69Å; L223-Q226 PolarHBondContact O-N 3.34Å; Q226-E229 PolarHBondContact O-N 3.05Å; Q226-L230 WeakPolarHBondContact O-CB 3.49Å; Q226-L230 VanDerWaalsContact O-CG 3.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.44Å; Q226-L230 PolarHBondContact O-N 2.82Å |
| 227 | R | 95.3 | Very high | 95.6 | Very high | 160 Ų | 160 | 78.4 Ų | 78.4 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.3 | -47.3 | 173.3 | 179.9 | -176.9 | 165.2 | -145.1 | -18.2 | 111.6 | L223 I224 Q225 E229 L230 E231 | L223-R227 VanDerWaalsContact O-CB 3.29Å; L223-R227 WeakPolarHBondContact O-CB 3.44Å; L223-R227 PolarHBondContact O-N 3.29Å; I224-R227 PolarHBondContact O-N 2.94Å; Q225-R227 VanDerWaalsContact C-N 3.29Å; Q225-R227 PolarHBondContact O-N 3.33Å; R227-E229 PolarHBondContact O-N 2.83Å; R227-L230 CarbonylContact O-C 3.54Å; R227-L230 PolarHBondContact O-N 3.41Å; R227-E231 HydrophobicContact CG-CG 4.4Å; R227-E231 IonicContact CZ-OE1 3.73Å; R227-E231 IonicContact NE-OE1 2.73Å; R227-E231 PolarHBondContact NE-OE1 3.11Å; R227-E231 IonicContact NE-OE2 3.65Å; R227-E231 IonicContact NH2-OE1 3.16Å; R227-E231 PolarHBondContact NH2-OE1 3.24Å; R227-E231 IonicContact NH2-OE2 2.78Å; R227-E231 WeakPolarHBondContact O-CB 3.34Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.14Å |
| 228 | A | 93.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 76.9 Ų | 76.9 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I224 Q225 E231 A232 | I224-A228 WeakPolarHBondContact O-CB 3.5Å; I224-A228 PolarHBondContact O-N 3.25Å; Q225-A228 PolarHBondContact O-N 3.4Å; Q225-A228 VanDerWaalsContact O-N 3.11Å; A228-E231 PolarHBondContact O-N 3.02Å; A228-A232 VanDerWaalsContact O-CB 3.29Å; A228-A232 WeakPolarHBondContact O-CB 3.45Å; A228-A232 PolarHBondContact O-N 3.41Å |
| 229 | E | 94.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 81 Ų | 81 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.9 | -73.9 | 178.2 | -158.7 | 0 | 0 | 111.7 | Q225 Q226 R227 E231 S233 | Q225-E229 HydrophobicContact CG-CG 4.46Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.34Å; Q225-E229 PolarHBondContact NE2-OE1 3.03Å; Q225-E229 WeakPolarHBondContact O-CG 3.33Å; Q225-E229 PolarHBondContact O-N 3.46Å; Q226-E229 PolarHBondContact O-N 3.05Å; R227-E229 PolarHBondContact O-N 2.83Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E229-S233 WeakPolarHBondContact O-CB 3.2Å; E229-S233 PolarHBondContact O-N 2.65Å |
| 230 | L | 94.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.6 | -25.2 | 174.9 | -73.1 | 172.6 | 0 | 0 | 0 | 113.6 | Q226 R227 S233 A234 S348 L350 | Q226-L230 WeakPolarHBondContact O-CB 3.49Å; Q226-L230 VanDerWaalsContact O-CG 3.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.44Å; Q226-L230 PolarHBondContact O-N 2.82Å; R227-L230 CarbonylContact O-C 3.54Å; R227-L230 PolarHBondContact O-N 3.41Å; L230-S233 PolarHBondContact O-OG 2.68Å; L230-A234 WeakPolarHBondContact O-CB 3.41Å; L230-S348 WeakPolarHBondContact CD2-O 3.33Å; L230-L350 CarbonylContact O-C 3.58Å |
| 231 | E | 94.7 | Very high | 95.2 | Very high | 74 Ų | 74 | 86.5 Ų | 86.5 | 35% | 0.346 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -85.7 | -36 | 176.7 | -78.3 | 177.4 | 175.6 | 0 | 0 | 113.5 | R227 A228 E229 A234 Q235 S352 | R227-E231 HydrophobicContact CG-CG 4.4Å; R227-E231 IonicContact CZ-OE1 3.73Å; R227-E231 IonicContact NE-OE1 2.73Å; R227-E231 PolarHBondContact NE-OE1 3.11Å; R227-E231 IonicContact NE-OE2 3.65Å; R227-E231 IonicContact NH2-OE1 3.16Å; R227-E231 PolarHBondContact NH2-OE1 3.24Å; R227-E231 IonicContact NH2-OE2 2.78Å; R227-E231 WeakPolarHBondContact O-CB 3.34Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.14Å; A228-E231 PolarHBondContact O-N 3.02Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E231-A234 VanDerWaalsContact C-CB 3.45Å; E231-A234 WeakPolarHBondContact O-CB 3.42Å; E231-Q235 PolarHBondContact O-N 2.92Å; E231-S352 PolarHBondContact O-OG 2.85Å |
| 232 | A | 94 | Very high | 95.2 | Very high | 61 Ų | 61 | 82.5 Ų | 82.5 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.9 | -47.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A228 A234 | A228-A232 VanDerWaalsContact O-CB 3.29Å; A228-A232 WeakPolarHBondContact O-CB 3.45Å; A228-A232 PolarHBondContact O-N 3.41Å; A232-A234 PolarHBondContact O-N 3.43Å |
| 233 | S | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 81.8 Ų | 81.8 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -19.4 | -29.8 | 156.6 | 140.8 | 0 | 0 | 0 | 0 | 120 | E229 L230 A236 Q349 L350 | E229-S233 WeakPolarHBondContact O-CB 3.2Å; E229-S233 PolarHBondContact O-N 2.65Å; L230-S233 PolarHBondContact O-OG 2.68Å; S233-A236 WeakPolarHBondContact O-CB 3.43Å; S233-Q349 WeakPolarHBondContact O-CG 3.37Å; S233-Q349 PolarHBondContact O-NE2 3.14Å; S233-Q349 VanDerWaalsContact OG-C 3.3Å; S233-Q349 WeakPolarHBondContact OG-CA 3.44Å; S233-Q349 WeakPolarHBondContact OG-CB 3.3Å; S233-Q349 WeakPolarHBondContact OG-CG 3.5Å; S233-L350 VanDerWaalsContact OG-CA 3.28Å; S233-L350 WeakPolarHBondContact OG-CA 3.3Å; S233-L350 PolarHBondContact OG-N 3.39Å |
| 234 | A | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | -135.1 | -47.9 | -118.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | L230 E231 A232 A236 Q237 Q238 S352 | L230-A234 WeakPolarHBondContact O-CB 3.41Å; E231-A234 VanDerWaalsContact C-CB 3.45Å; E231-A234 WeakPolarHBondContact O-CB 3.42Å; A232-A234 PolarHBondContact O-N 3.43Å; A234-A236 PolarHBondContact O-N 3.25Å; A234-Q237 PolarHBondContact O-N 3.02Å; A234-Q238 PolarHBondContact O-N 3.45Å; A234-S352 CarbonylContact C-O 3.6Å | |
| 235 | Q | 95.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 79.2 Ų | 79.2 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -43.5 | -39.9 | 140.7 | -60.8 | 164.7 | 8.9 | 0 | 0 | 111.7 | E231 Q238 Q239 S352 | E231-Q235 PolarHBondContact O-N 2.92Å; Q235-Q238 WeakPolarHBondContact O-CB 3.48Å; Q235-Q238 PolarHBondContact O-N 3.33Å; Q235-Q239 WeakPolarHBondContact O-CB 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.41Å; Q235-Q239 PolarHBondContact O-N 3.37Å; Q235-S352 VanDerWaalsContact CA-O 3.28Å; Q235-S352 WeakPolarHBondContact CA-O 3.4Å; Q235-S352 VanDerWaalsContact CG-OG 3.26Å; Q235-S352 WeakPolarHBondContact CG-OG 3.41Å; Q235-S352 PolarHBondContact N-O 2.9Å; Q235-S352 PolarHBondContact NE2-OG 3.39Å |
| 236 | A | 93.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 79.1 Ų | 79.1 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S233 A234 Q238 Q239 E240 | S233-A236 WeakPolarHBondContact O-CB 3.43Å; A234-A236 PolarHBondContact O-N 3.25Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.95Å; A236-Q239 WeakPolarHBondContact O-CB 3.41Å; A236-Q239 PolarHBondContact O-N 3.44Å; A236-E240 WeakPolarHBondContact O-CG 3.26Å; A236-E240 PolarHBondContact O-N 2.9Å |
| 237 | Q | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67 | -33.5 | 173.1 | -96.2 | -164.1 | 12.4 | 0 | 0 | 113.1 | A234 Q239 E240 Y241 L350 T351 | A234-Q237 PolarHBondContact O-N 3.02Å; Q237-Q239 VanDerWaalsContact C-N 3.28Å; Q237-Q239 PolarHBondContact O-N 3.48Å; Q237-E240 PolarHBondContact O-N 3.16Å; Q237-Y241 WeakPolarHBondContact O-CB 3.32Å; Q237-Y241 PolarHBondContact O-N 3.33Å; Q237-L350 HydrophobicContact CB-CD2 3.67Å; Q237-L350 HydrophobicContact CG-CD2 3.54Å; Q237-L350 VanDerWaalsContact OE1-CD1 3.25Å; Q237-T351 HydrophobicContact CB-CG2 4.35Å |
| 238 | Q | 96.3 | Very high | 95.3 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 172.6 | -164.5 | 82.6 | 5.8 | 0 | 0 | 111 | A234 Q235 A236 A242 A353 | A234-Q238 PolarHBondContact O-N 3.45Å; Q235-Q238 WeakPolarHBondContact O-CB 3.48Å; Q235-Q238 PolarHBondContact O-N 3.33Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.95Å; Q238-A242 WeakPolarHBondContact O-CB 3.16Å; Q238-A242 PolarHBondContact O-N 3.05Å; Q238-A353 HydrophobicContact CG-CB 4.01Å; Q238-A353 VanDerWaalsContact NE2-CB 3.3Å |
| 239 | Q | 95.1 | Very high | 95.4 | Very high | 135 Ų | 135 | 78.2 Ų | 78.2 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.6 | -44 | 175.9 | -71.8 | 167.2 | 18 | 0 | 0 | 112.1 | Q235 A236 Q237 Y241 A242 A243 | Q235-Q239 WeakPolarHBondContact O-CB 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.41Å; Q235-Q239 PolarHBondContact O-N 3.37Å; A236-Q239 WeakPolarHBondContact O-CB 3.41Å; A236-Q239 PolarHBondContact O-N 3.44Å; Q237-Q239 VanDerWaalsContact C-N 3.28Å; Q237-Q239 PolarHBondContact O-N 3.48Å; Q239-Y241 PolarHBondContact O-N 2.89Å; Q239-A242 PolarHBondContact O-N 3.35Å; Q239-A243 WeakPolarHBondContact O-CB 3.3Å; Q239-A243 PolarHBondContact O-N 2.97Å |
| 240 | E | 95.8 | Very high | 95.6 | Very high | 112 Ų | 112 | 79.6 Ų | 79.6 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.1 | -72.6 | 173.4 | -175.9 | 0 | 0 | 111.5 | A236 Q237 A243 L244 | A236-E240 WeakPolarHBondContact O-CG 3.26Å; A236-E240 PolarHBondContact O-N 2.9Å; Q237-E240 PolarHBondContact O-N 3.16Å; E240-A243 PolarHBondContact O-N 2.91Å; E240-L244 WeakPolarHBondContact O-CB 3.34Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3Å |
| 241 | Y | 93.4 | Very high | 95.6 | Very high | 141 Ų | 141 | 79.9 Ų | 79.9 | 55% | 0.553 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 177.1 | -178.9 | -106.2 | 0 | 0 | 0 | 112.2 | Q237 Q239 L244 Q245 | Q237-Y241 WeakPolarHBondContact O-CB 3.32Å; Q237-Y241 PolarHBondContact O-N 3.33Å; Q239-Y241 PolarHBondContact O-N 2.89Å; Y241-L244 PolarHBondContact O-N 3.03Å; Y241-Q245 HydrophobicContact CD1-CG 4.38Å; Y241-Q245 HydrophobicContact CE1-CG 3.95Å; Y241-Q245 HydrophobicContact CE2-CG 4.42Å; Y241-Q245 VanDerWaalsContact CZ-NE2 3.29Å; Y241-Q245 WeakPolarHBondContact O-CG 3.35Å; Y241-Q245 PolarHBondContact O-N 3.24Å; Y241-Q245 PolarHBondContact OH-NE2 3.29Å |
| 242 | A | 96.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 79.6 Ų | 79.6 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q238 Q239 Q245 L246 | Q238-A242 WeakPolarHBondContact O-CB 3.16Å; Q238-A242 PolarHBondContact O-N 3.05Å; Q239-A242 PolarHBondContact O-N 3.35Å; A242-Q245 PolarHBondContact O-N 3.49Å; A242-L246 WeakPolarHBondContact O-CG 3.33Å; A242-L246 PolarHBondContact O-N 3.3Å |
| 243 | A | 96.3 | Very high | 95.8 | Very high | 57 Ų | 57 | 83 Ų | 83 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q239 E240 Q245 L246 E247 | Q239-A243 WeakPolarHBondContact O-CB 3.3Å; Q239-A243 PolarHBondContact O-N 2.97Å; E240-A243 PolarHBondContact O-N 2.91Å; A243-Q245 PolarHBondContact O-N 3.06Å; A243-L246 WeakPolarHBondContact O-CB 3.32Å; A243-L246 PolarHBondContact O-N 3.32Å; A243-L246 VanDerWaalsContact O-N 3.16Å; A243-E247 PolarHBondContact O-N 3.39Å |
| 244 | L | 97.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 85.2 Ų | 85.2 | 59% | 0.586 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 175.3 | -73.5 | 168.5 | 0 | 0 | 0 | 112.3 | E240 Y241 L246 E247 V248 | E240-L244 WeakPolarHBondContact O-CB 3.34Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3Å; Y241-L244 PolarHBondContact O-N 3.03Å; L244-L246 VanDerWaalsContact C-N 3.34Å; L244-L246 PolarHBondContact O-N 3.32Å; L244-E247 PolarHBondContact O-N 3.23Å; L244-V248 WeakPolarHBondContact O-CG2 3.42Å; L244-V248 PolarHBondContact O-N 2.93Å |
| 245 | Q | 97.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 89.7 Ų | 89.7 | 31% | 0.308 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 173.5 | -78.3 | -162.4 | -5.5 | 0 | 0 | 112.4 | Y241 A242 A243 R249 | Y241-Q245 HydrophobicContact CD1-CG 4.38Å; Y241-Q245 HydrophobicContact CE1-CG 3.95Å; Y241-Q245 HydrophobicContact CE2-CG 4.42Å; Y241-Q245 VanDerWaalsContact CZ-NE2 3.29Å; Y241-Q245 WeakPolarHBondContact O-CG 3.35Å; Y241-Q245 PolarHBondContact O-N 3.24Å; Y241-Q245 PolarHBondContact OH-NE2 3.29Å; A242-Q245 PolarHBondContact O-N 3.49Å; A243-Q245 PolarHBondContact O-N 3.06Å; Q245-R249 VanDerWaalsContact O-CG 3.27Å; Q245-R249 WeakPolarHBondContact O-CG 3.49Å; Q245-R249 PolarHBondContact O-N 3.14Å |
| 246 | L | 96.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 90.3 Ų | 90.3 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 175.9 | -72 | 169.3 | 0 | 0 | 0 | 111.1 | A242 A243 L244 R249 R250 | A242-L246 WeakPolarHBondContact O-CG 3.33Å; A242-L246 PolarHBondContact O-N 3.3Å; A243-L246 WeakPolarHBondContact O-CB 3.32Å; A243-L246 PolarHBondContact O-N 3.32Å; A243-L246 VanDerWaalsContact O-N 3.16Å; L244-L246 VanDerWaalsContact C-N 3.34Å; L244-L246 PolarHBondContact O-N 3.32Å; L246-R249 WeakPolarHBondContact O-CB 3.27Å; L246-R249 PolarHBondContact O-N 3.38Å; L246-R250 WeakPolarHBondContact O-CB 3.4Å; L246-R250 PolarHBondContact O-N 3.01Å |
| 247 | E | 96.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 33% | 0.327 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 178 | -175.2 | 54.4 | -156.4 | 0 | 0 | 112.2 | A243 L244 R249 R250 L251 | A243-E247 PolarHBondContact O-N 3.39Å; L244-E247 PolarHBondContact O-N 3.23Å; E247-R249 VanDerWaalsContact C-N 3.35Å; E247-R249 PolarHBondContact O-N 2.92Å; E247-R250 VanDerWaalsContact CD-NE 3.32Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.24Å; E247-R250 VanDerWaalsContact O-N 3.15Å; E247-R250 IonicContact OE1-CZ 3.72Å; E247-R250 IonicContact OE1-NE 2.66Å; E247-R250 PolarHBondContact OE1-NE 3.29Å; E247-R250 VanDerWaalsContact OE1-NE 3.15Å; E247-R250 IonicContact OE1-NH2 3.91Å; E247-R250 PolarHBondContact OE1-NH2 2.87Å; E247-R250 WeakPolarHBondContact OE2-CD 3.49Å; E247-R250 IonicContact OE2-CZ 2.78Å; E247-R250 IonicContact OE2-NE 3.92Å; E247-R250 PolarHBondContact OE2-NE 3.29Å; E247-R250 IonicContact OE2-NH2 2.84Å; E247-L251 HydrophobicContact CG-CD1 4.09Å; E247-L251 WeakPolarHBondContact O-CB 3.44Å; E247-L251 WeakPolarHBondContact O-CG 3.49Å; E247-L251 PolarHBondContact O-N 3.43Å; E247-L251 WeakPolarHBondContact OE1-CG 3.49Å |
| 248 | V | 96.5 | Very high | 95 | Very high | 90 Ų | 90 | 95.4 Ų | 95.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 172.3 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L244 R250 T252 | L244-V248 WeakPolarHBondContact O-CG2 3.42Å; L244-V248 PolarHBondContact O-N 2.93Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.09Å; V248-T252 WeakPolarHBondContact O-CB 3.45Å; V248-T252 PolarHBondContact O-N 2.86Å; V248-T252 PolarHBondContact O-OG1 3.44Å |
| 249 | R | 96.8 | Very high | 94.7 | Very high | 129 Ų | 129 | 96.5 Ų | 96.5 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 174.9 | -71.9 | 172.6 | -169.4 | 118.2 | 5.5 | 111.9 | Q245 L246 E247 K253 | Q245-R249 VanDerWaalsContact O-CG 3.27Å; Q245-R249 WeakPolarHBondContact O-CG 3.49Å; Q245-R249 PolarHBondContact O-N 3.14Å; L246-R249 WeakPolarHBondContact O-CB 3.27Å; L246-R249 PolarHBondContact O-N 3.38Å; E247-R249 VanDerWaalsContact C-N 3.35Å; E247-R249 PolarHBondContact O-N 2.92Å; R249-K253 PolarHBondContact O-N 3.34Å |
| 250 | R | 97.4 | Very high | 94.2 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -54.3 | 177.8 | -164.7 | -169.3 | 73 | 69.8 | 12 | 110.7 | L246 E247 V248 T252 K253 E254 | L246-R250 WeakPolarHBondContact O-CB 3.4Å; L246-R250 PolarHBondContact O-N 3.01Å; E247-R250 VanDerWaalsContact CD-NE 3.32Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.24Å; E247-R250 VanDerWaalsContact O-N 3.15Å; E247-R250 IonicContact OE1-CZ 3.72Å; E247-R250 IonicContact OE1-NE 2.66Å; E247-R250 PolarHBondContact OE1-NE 3.29Å; E247-R250 VanDerWaalsContact OE1-NE 3.15Å; E247-R250 IonicContact OE1-NH2 3.91Å; E247-R250 PolarHBondContact OE1-NH2 2.87Å; E247-R250 WeakPolarHBondContact OE2-CD 3.49Å; E247-R250 IonicContact OE2-CZ 2.78Å; E247-R250 IonicContact OE2-NE 3.92Å; E247-R250 PolarHBondContact OE2-NE 3.29Å; E247-R250 IonicContact OE2-NH2 2.84Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.09Å; R250-T252 VanDerWaalsContact C-N 3.29Å; R250-T252 PolarHBondContact O-N 3.14Å; R250-K253 WeakPolarHBondContact O-CB 3.47Å; R250-K253 PolarHBondContact O-N 2.95Å; R250-K253 VanDerWaalsContact O-N 3.14Å; R250-E254 IonicContact CZ-OE1 3.71Å; R250-E254 VanDerWaalsContact NH1-CD 3.26Å; R250-E254 IonicContact NH1-OE1 2.7Å; R250-E254 PolarHBondContact NH1-OE1 3.44Å; R250-E254 IonicContact NH1-OE2 3.72Å; R250-E254 IonicContact NH2-OE2 3.59Å; R250-E254 PolarHBondContact O-N 3.17Å |
| 251 | L | 95.8 | Very high | 93.6 | Very high | 83 Ų | 83 | 95.5 Ų | 95.5 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 177.2 | -69.1 | 169.2 | 0 | 0 | 0 | 112.7 | E247 E254 L255 | E247-L251 HydrophobicContact CG-CD1 4.09Å; E247-L251 WeakPolarHBondContact O-CB 3.44Å; E247-L251 WeakPolarHBondContact O-CG 3.49Å; E247-L251 PolarHBondContact O-N 3.43Å; E247-L251 WeakPolarHBondContact OE1-CG 3.49Å; L251-E254 PolarHBondContact O-N 2.92Å; L251-L255 WeakPolarHBondContact O-CB 3.46Å; L251-L255 PolarHBondContact O-N 2.93Å |
| 252 | T | 96.4 | Very high | 93 | Very high | 67 Ų | 67 | 96.8 Ų | 96.8 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | V248 R250 L255 Q256 | V248-T252 WeakPolarHBondContact O-CB 3.45Å; V248-T252 PolarHBondContact O-N 2.86Å; V248-T252 PolarHBondContact O-OG1 3.44Å; R250-T252 VanDerWaalsContact C-N 3.29Å; R250-T252 PolarHBondContact O-N 3.14Å; T252-L255 PolarHBondContact O-N 3.06Å; T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 2.76Å |
| 253 | K | 94.6 | Very high | 92 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 57% | 0.574 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.1 | -47 | 174.4 | -71.5 | 177.5 | 176.5 | -173.8 | 0 | 111.8 | R249 R250 L255 Q256 E257 | R249-K253 PolarHBondContact O-N 3.34Å; R250-K253 WeakPolarHBondContact O-CB 3.47Å; R250-K253 PolarHBondContact O-N 2.95Å; R250-K253 VanDerWaalsContact O-N 3.14Å; K253-L255 PolarHBondContact O-N 2.88Å; K253-Q256 PolarHBondContact O-N 2.7Å; K253-Q256 VanDerWaalsContact O-N 3.14Å; K253-E257 WeakPolarHBondContact O-CB 3.1Å; K253-E257 WeakPolarHBondContact O-CG 3.29Å; K253-E257 PolarHBondContact O-N 3.15Å |
| 254 | E | 94.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 29% | 0.29 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.4 | -33.4 | 176.8 | -69.7 | -168.8 | 158 | 0 | 0 | 112.8 | R250 L251 K258 | R250-E254 IonicContact CZ-OE1 3.71Å; R250-E254 VanDerWaalsContact NH1-CD 3.26Å; R250-E254 IonicContact NH1-OE1 2.7Å; R250-E254 PolarHBondContact NH1-OE1 3.44Å; R250-E254 IonicContact NH1-OE2 3.72Å; R250-E254 IonicContact NH2-OE2 3.59Å; R250-E254 PolarHBondContact O-N 3.17Å; L251-E254 PolarHBondContact O-N 2.92Å; E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 WeakPolarHBondContact O-CD 3.43Å; E254-K258 VanDerWaalsContact O-CG 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.18Å; E254-K258 PolarHBondContact O-N 3.14Å; E254-K258 VanDerWaalsContact O-N 3.13Å; E254-K258 IonicContact OE2-NZ 3.03Å |
| 255 | L | 93.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69 | -47.8 | 175 | -175.6 | 64.3 | 0 | 0 | 0 | 110.9 | L251 T252 K253 E257 K258 E259 | L251-L255 WeakPolarHBondContact O-CB 3.46Å; L251-L255 PolarHBondContact O-N 2.93Å; T252-L255 PolarHBondContact O-N 3.06Å; K253-L255 PolarHBondContact O-N 2.88Å; L255-E257 VanDerWaalsContact C-N 3.35Å; L255-E257 PolarHBondContact O-N 3.15Å; L255-K258 PolarHBondContact O-N 3.21Å; L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 WeakPolarHBondContact O-CG 3.33Å; L255-E259 PolarHBondContact O-N 2.88Å |
| 256 | Q | 92.3 | Very high | 88.1 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.7 | -73.6 | 175.7 | -19.7 | 0 | 0 | 112.5 | T252 K253 E259 L260 | T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 2.76Å; K253-Q256 PolarHBondContact O-N 2.7Å; K253-Q256 VanDerWaalsContact O-N 3.14Å; Q256-E259 PolarHBondContact O-N 3.37Å; Q256-L260 WeakPolarHBondContact O-CG 3.38Å; Q256-L260 PolarHBondContact O-N 3.21Å |
| 257 | E | 90.2 | Very high | 86.3 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.8 | -73.1 | 166.5 | -176.3 | 0 | 0 | 110.9 | K253 L255 E259 L260 E261 | K253-E257 WeakPolarHBondContact O-CB 3.1Å; K253-E257 WeakPolarHBondContact O-CG 3.29Å; K253-E257 PolarHBondContact O-N 3.15Å; L255-E257 VanDerWaalsContact C-N 3.35Å; L255-E257 PolarHBondContact O-N 3.15Å; E257-E259 VanDerWaalsContact C-N 3.32Å; E257-E259 PolarHBondContact O-N 3.24Å; E257-L260 PolarHBondContact O-N 2.58Å; E257-E261 WeakPolarHBondContact O-CG 3.44Å; E257-E261 PolarHBondContact O-N 2.93Å |
| 258 | K | 88 | Confident | 84.2 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 44% | 0.443 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -26.6 | 176.6 | -72.4 | 166.3 | -171.5 | 157 | 0 | 113.8 | E254 L255 R262 | E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 WeakPolarHBondContact O-CD 3.43Å; E254-K258 VanDerWaalsContact O-CG 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.18Å; E254-K258 PolarHBondContact O-N 3.14Å; E254-K258 VanDerWaalsContact O-N 3.13Å; E254-K258 IonicContact OE2-NZ 3.03Å; L255-K258 PolarHBondContact O-N 3.21Å; K258-R262 VanDerWaalsContact O-CG 3.31Å; K258-R262 WeakPolarHBondContact O-CG 3.47Å; K258-R262 PolarHBondContact O-N 3.05Å |
| 259 | E | 88.4 | Confident | 81.6 | Confident | 95 Ų | 95 | 114.5 Ų | 114.5 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.9 | -47 | 172.6 | -76.3 | 171.6 | 169.6 | 0 | 0 | 110.5 | L255 Q256 E257 E261 R262 E263 | L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 WeakPolarHBondContact O-CG 3.33Å; L255-E259 PolarHBondContact O-N 2.88Å; Q256-E259 PolarHBondContact O-N 3.37Å; E257-E259 VanDerWaalsContact C-N 3.32Å; E257-E259 PolarHBondContact O-N 3.24Å; E259-E261 PolarHBondContact O-N 3.44Å; E259-R262 WeakPolarHBondContact O-CB 3.49Å; E259-R262 PolarHBondContact O-N 3.32Å; E259-R262 VanDerWaalsContact O-N 3.11Å; E259-E263 PolarHBondContact O-N 2.87Å |
| 260 | L | 85.8 | Confident | 79.1 | Confident | 101 Ų | 101 | 113.6 Ų | 113.6 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -40.9 | 173.9 | -70.9 | 167 | 0 | 0 | 0 | 112.3 | Q256 E257 R262 E263 L264 | Q256-L260 WeakPolarHBondContact O-CG 3.38Å; Q256-L260 PolarHBondContact O-N 3.21Å; E257-L260 PolarHBondContact O-N 2.58Å; L260-R262 VanDerWaalsContact C-N 3.3Å; L260-R262 PolarHBondContact O-N 2.83Å; L260-E263 PolarHBondContact O-N 3.2Å; L260-L264 WeakPolarHBondContact O-CB 3.4Å; L260-L264 VanDerWaalsContact O-CG 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 3.31Å |
| 261 | E | 82.8 | Confident | 76.5 | Confident | 126 Ų | 126 | 117.4 Ų | 117.4 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.1 | -38.9 | 173.4 | -76.8 | 178.3 | 165.5 | 0 | 0 | 112.2 | E257 E259 V265 | E257-E261 WeakPolarHBondContact O-CG 3.44Å; E257-E261 PolarHBondContact O-N 2.93Å; E259-E261 PolarHBondContact O-N 3.44Å; E261-V265 VanDerWaalsContact O-CG2 3.3Å; E261-V265 WeakPolarHBondContact O-CG2 3.48Å; E261-V265 PolarHBondContact O-N 3.4Å; E261-V265 VanDerWaalsContact O-N 3.11Å |
| 262 | R | 80.6 | Confident | 73.7 | Confident | 167 Ų | 167 | 116.8 Ų | 116.8 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.8 | -44.4 | 175.7 | -71.4 | 174.5 | -160 | 178.3 | 8.5 | 112.2 | K258 E259 L260 L264 V265 E266 | K258-R262 VanDerWaalsContact O-CG 3.31Å; K258-R262 WeakPolarHBondContact O-CG 3.47Å; K258-R262 PolarHBondContact O-N 3.05Å; E259-R262 WeakPolarHBondContact O-CB 3.49Å; E259-R262 PolarHBondContact O-N 3.32Å; E259-R262 VanDerWaalsContact O-N 3.11Å; L260-R262 VanDerWaalsContact C-N 3.3Å; L260-R262 PolarHBondContact O-N 2.83Å; R262-L264 VanDerWaalsContact C-N 3.27Å; R262-L264 PolarHBondContact O-N 3.44Å; R262-V265 PolarHBondContact O-N 3.38Å; R262-V265 VanDerWaalsContact O-N 3.17Å; R262-E266 PolarHBondContact O-N 3.46Å |
| 263 | E | 76.1 | Confident | 70.7 | Confident | 125 Ų | 125 | 120.8 Ų | 120.8 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.8 | -37.9 | 177.1 | -70.9 | -172.6 | 166 | 0 | 0 | 111.7 | E259 L260 E266 M267 | E259-E263 PolarHBondContact O-N 2.87Å; L260-E263 PolarHBondContact O-N 3.2Å; E263-E266 PolarHBondContact O-N 3.44Å; E263-M267 WeakPolarHBondContact O-CB 3.37Å; E263-M267 WeakPolarHBondContact O-CG 3.47Å; E263-M267 PolarHBondContact O-N 3.03Å |
| 264 | L | 73.1 | Confident | 68.1 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 173.6 | -72.3 | 166.5 | 0 | 0 | 0 | 112.1 | L260 R262 M267 E268 | L260-L264 WeakPolarHBondContact O-CB 3.4Å; L260-L264 VanDerWaalsContact O-CG 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 3.31Å; R262-L264 VanDerWaalsContact C-N 3.27Å; R262-L264 PolarHBondContact O-N 3.44Å; L264-M267 PolarHBondContact O-N 3.21Å; L264-E268 PolarHBondContact O-N 3.08Å |
| 265 | V | 70.7 | Confident | 65.3 | Low | 98 Ų | 98 | 129.3 Ų | 129.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.3 | -34.7 | 176.7 | 169.5 | 0 | 0 | 0 | 0 | 112.5 | E261 R262 S269 | E261-V265 VanDerWaalsContact O-CG2 3.3Å; E261-V265 WeakPolarHBondContact O-CG2 3.48Å; E261-V265 PolarHBondContact O-N 3.4Å; E261-V265 VanDerWaalsContact O-N 3.11Å; R262-V265 PolarHBondContact O-N 3.38Å; R262-V265 VanDerWaalsContact O-N 3.17Å; V265-S269 PolarHBondContact O-OG 2.78Å |
| 266 | E | 64.8 | Low | 62.6 | Low | 158 Ų | 158 | 128 Ų | 128 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.9 | -34.1 | 172.5 | -72.2 | -168.4 | 161.6 | 0 | 0 | 112.2 | R262 E263 | R262-E266 PolarHBondContact O-N 3.46Å; E263-E266 PolarHBondContact O-N 3.44Å |
| 267 | M | 58.1 | Low | 60 | Low | 164 Ų | 164 | 130.7 Ų | 130.7 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.7 | -27 | 177.3 | -76.1 | -80.5 | -75 | 0 | 0 | 114.2 | E263 L264 S269 | E263-M267 WeakPolarHBondContact O-CB 3.37Å; E263-M267 WeakPolarHBondContact O-CG 3.47Å; E263-M267 PolarHBondContact O-N 3.03Å; L264-M267 PolarHBondContact O-N 3.21Å; M267-S269 PolarHBondContact O-N 3.16Å |
| 268 | E | 51.7 | Low | 57.4 | Low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 11 | 176.7 | -75.2 | -162.4 | 142.8 | 0 | 0 | 114.7 | L264 P270 | L264-E268 PolarHBondContact O-N 3.08Å; E268-P270 VanDerWaalsContact C-CD 3.48Å; E268-P270 WeakPolarHBondContact O-CD 3.5Å |
| 269 | S | 43.6 | Very low | 55 | Low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | -110 | 81.6 | -177.3 | -69.3 | 0 | 0 | 0 | 0 | 115.3 | V265 M267 L271 | V265-S269 PolarHBondContact O-OG 2.78Å; M267-S269 PolarHBondContact O-N 3.16Å; S269-L271 PolarHBondContact O-N 3.23Å | ||
| 270 | P | 44.4 | Very low | 53.5 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | trans | -89.9 | 105.8 | 175.6 | 32.7 | -31.7 | 0 | 0 | 0 | 113.7 | E268 | E268-P270 VanDerWaalsContact C-CD 3.48Å; E268-P270 WeakPolarHBondContact O-CD 3.5Å | ||
| 271 | L | 41.9 | Very low | 50.9 | Low | 182 Ų | 182 | 133.4 Ų | 133.4 | 95% | 0.953 | 75% | 0.752 | S | S | * | * | trans | 54.2 | 125.8 | 155.4 | -63.8 | 146.7 | 0 | 0 | 0 | 117.9 | S269 | S269-L271 PolarHBondContact O-N 3.23Š| ||
| 272 | G | 37.3 | Very low | 48.8 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 140.6 | 155 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | T | 32.8 | Very low | 46.7 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | trans | -140.8 | 132.4 | 160.9 | 29.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 274 | R | 41.4 | Very low | 45.6 | Very low | 250 Ų | 250 | 129 Ų | 129 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -75.3 | 134.2 | 171.5 | -66 | 157.1 | 66.4 | 176.1 | 2.9 | 108.9 | ||||
| 275 | S | 35.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -144.1 | 110.3 | 142.9 | -164.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 276 | G | 35.1 | Very low | 42.1 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 140.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 277 | N | 37.7 | Very low | 41.1 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -125.7 | 129.4 | 149.2 | -107.4 | 9 | 0 | 0 | 0 | 108.9 | ||||
| 278 | S | 36.2 | Very low | 40.1 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -61 | 165.3 | 162.9 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 279 | S | 37.8 | Very low | 39.9 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | cis | -161 | 173.5 | 28 | -129 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 280 | P | 57 | Low | 40.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -90.3 | 165.4 | -170.6 | 37.4 | -35.6 | 0 | 0 | 0 | 113.5 | ||||
| 281 | T | 31.4 | Very low | 40.1 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -154.2 | 126.7 | 141.8 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 282 | S | 37.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -92.3 | 132.9 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 283 | A | 37.6 | Very low | 40.8 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -165.2 | 143.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 284 | P | 51.3 | Low | 41.5 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -89.6 | -169.6 | -178.9 | 38.8 | -36.9 | 0 | 0 | 0 | 112.2 | ||||
| 285 | L | 36.4 | Very low | 42.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 83.5 | 116.3 | -173.9 | -48.7 | 162.5 | 0 | 0 | 0 | 111 | ||||
| 286 | T | 35.3 | Very low | 43.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -152.6 | 149.2 | 47.7 | 41.8 | 0 | 0 | 0 | 0 | 113.1 | R288 | T286-R288 PolarHBondContact O-N 3.32Š| ||
| 287 | V | 43.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -49.3 | 114.4 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | K289 | V287-K289 HydrophobicContact CG1-CB 3.55Š| ||
| 288 | R | 36.9 | Very low | 46.2 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -101.7 | 96.5 | 154.5 | -79.1 | -171.6 | 173.6 | -177.5 | -1.9 | 107.8 | T286 | T286-R288 PolarHBondContact O-N 3.32Š| ||
| 289 | K | 46.4 | Very low | 47.9 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -106.5 | 81.6 | 179.7 | -177 | -175.8 | -177.9 | -175.3 | 0 | 108.6 | V287 | V287-K289 HydrophobicContact CG1-CB 3.55Š| ||
| 290 | S | 49.6 | Very low | 50 | Low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 173.7 | 125.7 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 291 | E | 44.6 | Very low | 51.2 | Low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -138.3 | 0.6 | 35.5 | -73.3 | 153.6 | 158.1 | 0 | 0 | 114.8 | E293 A294 | E291-E293 PolarHBondContact O-N 3.42Å; E291-A294 PolarHBondContact O-N 2.94Å |
| 292 | D | 46.2 | Very low | 53.6 | Low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 6.8 | -170.7 | -77.3 | -33.6 | 0 | 0 | 0 | 118.4 | ||
| 293 | E | 46.3 | Very low | 55.9 | Low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -5.7 | 172.2 | -80.8 | -163.1 | 162.2 | 0 | 0 | 113.8 | E291 | E291-E293 PolarHBondContact O-N 3.42Š|
| 294 | A | 47.5 | Very low | 58.2 | Low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -76.4 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E291 | E291-A294 PolarHBondContact O-N 2.94Š|
| 295 | D | 53.8 | Low | 59.7 | Low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -93.6 | 8.9 | -175.2 | -70.4 | -26.7 | 0 | 0 | 0 | 113.9 | ||
| 296 | K | 57.3 | Low | 62.1 | Low | 148 Ų | 148 | 134.3 Ų | 134.3 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -81.3 | 120.7 | 173.3 | -132.9 | 156 | -169.5 | 161.2 | 0 | 108.8 | R298 | K296-R298 PolarHBondContact O-N 3.07Š|
| 297 | P | 65.1 | Low | 64.7 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | trans | -59.5 | 117.9 | -176.7 | 22.7 | -32.5 | 0 | 0 | 0 | 109.8 | F299 | P297-F299 PolarHBondContact O-N 2.95Š| ||
| 298 | R | 72.5 | Confident | 66.8 | Low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -69.3 | -11 | -176.8 | -77.5 | -178.4 | 153.2 | -144.3 | -6.4 | 114.3 | K296 | K296-R298 PolarHBondContact O-N 3.07Š|
| 299 | F | 70.8 | Confident | 69.2 | Low | 138 Ų | 138 | 123.7 Ų | 123.7 | 61% | 0.605 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -126.4 | 144.5 | 179.5 | -58.6 | -75.2 | 0 | 0 | 0 | 108.6 | P297 E303 | P297-F299 PolarHBondContact O-N 2.95Å; F299-E303 VanDerWaalsContact CA-OE2 3.28Å; F299-E303 WeakPolarHBondContact CA-OE2 3.25Å; F299-E303 HydrophobicContact CB-CB 4.21Å |
| 300 | T | 82.7 | Confident | 71.3 | Confident | 76 Ų | 76 | 120.7 Ų | 120.7 | 47% | 0.466 | 62% | 0.616 | S | S | . | * | trans | -68.3 | 158.7 | 168.6 | 65.8 | 0 | 0 | 0 | 0 | 110.4 | Q302 E303 L304 | T300-Q302 PolarHBondContact O-N 2.69Å; T300-E303 PolarHBondContact N-OE2 2.78Å; T300-E303 PolarHBondContact O-N 3.37Å; T300-E303 VanDerWaalsContact OG1-CG 3.27Å; T300-E303 WeakPolarHBondContact OG1-CG 3.34Å; T300-E303 PolarHBondContact OG1-N 2.98Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; T300-E303 PolarHBondContact OG1-OE2 2.84Å; T300-L304 PolarHBondContact O-N 3.43Å | ||
| 301 | L | 81.9 | Confident | 73.4 | Confident | 149 Ų | 149 | 122.5 Ų | 122.5 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.5 | -32.4 | 175.4 | -116.8 | 166.8 | 0 | 0 | 0 | 112 | Q305 | L301-Q305 WeakPolarHBondContact O-CB 3.38Å; L301-Q305 PolarHBondContact O-N 3.33Å |
| 302 | Q | 82.3 | Confident | 75.3 | Confident | 107 Ų | 107 | 119.3 Ų | 119.3 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.7 | -51.3 | 174.2 | -171.4 | 64.4 | 52.1 | 0 | 0 | 111.5 | T300 L304 Q305 D306 | T300-Q302 PolarHBondContact O-N 2.69Å; Q302-L304 PolarHBondContact O-N 2.97Å; Q302-Q305 CarbonylContact O-C 3.57Å; Q302-Q305 WeakPolarHBondContact O-CA 3.45Å; Q302-Q305 WeakPolarHBondContact O-CB 3.4Å; Q302-Q305 PolarHBondContact O-N 3.11Å; Q302-D306 PolarHBondContact NE2-OD1 3.41Å; Q302-D306 PolarHBondContact O-N 3.44Å |
| 303 | E | 86.2 | Confident | 77.4 | Confident | 88 Ų | 88 | 116.4 Ų | 116.4 | 41% | 0.411 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.7 | -36.2 | 177.5 | -73 | 160.8 | 169.7 | 0 | 0 | 112.1 | F299 T300 V307 | F299-E303 VanDerWaalsContact CA-OE2 3.28Å; F299-E303 WeakPolarHBondContact CA-OE2 3.25Å; F299-E303 HydrophobicContact CB-CB 4.21Å; T300-E303 PolarHBondContact N-OE2 2.78Å; T300-E303 PolarHBondContact O-N 3.37Å; T300-E303 VanDerWaalsContact OG1-CG 3.27Å; T300-E303 WeakPolarHBondContact OG1-CG 3.34Å; T300-E303 PolarHBondContact OG1-N 2.98Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; T300-E303 PolarHBondContact OG1-OE2 2.84Å; E303-V307 WeakPolarHBondContact O-CB 3.37Å; E303-V307 VanDerWaalsContact O-CG2 3.22Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.33Å |
| 304 | L | 84.8 | Confident | 79.6 | Confident | 91 Ų | 91 | 112.7 Ų | 112.7 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.4 | -38.6 | 174.3 | -177.3 | 61.9 | 0 | 0 | 0 | 112.2 | T300 Q302 L308 | T300-L304 PolarHBondContact O-N 3.43Å; Q302-L304 PolarHBondContact O-N 2.97Å; L304-L308 HydrophobicContact CD1-CD1 4.38Å; L304-L308 HydrophobicContact CD1-CG 4.43Å; L304-L308 HydrophobicContact CG-CD1 4.15Å; L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.24Å |
| 305 | Q | 83.6 | Confident | 81.7 | Confident | 114 Ų | 114 | 115.8 Ų | 115.8 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -44.9 | 175.1 | -176.7 | 173.1 | 2.9 | 0 | 0 | 111.3 | L301 Q302 L308 Q309 | L301-Q305 WeakPolarHBondContact O-CB 3.38Å; L301-Q305 PolarHBondContact O-N 3.33Å; Q302-Q305 CarbonylContact O-C 3.57Å; Q302-Q305 WeakPolarHBondContact O-CA 3.45Å; Q302-Q305 WeakPolarHBondContact O-CB 3.4Å; Q302-Q305 PolarHBondContact O-N 3.11Å; Q305-L308 PolarHBondContact O-N 3.13Å; Q305-Q309 WeakPolarHBondContact O-CB 3.2Å; Q305-Q309 PolarHBondContact O-N 3.25Å |
| 306 | D | 86.2 | Confident | 83.4 | Confident | 76 Ų | 76 | 110.9 Ų | 110.9 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -46 | 178.7 | -60.6 | -16.5 | 0 | 0 | 0 | 110.5 | Q302 L308 Q309 E310 | Q302-D306 PolarHBondContact NE2-OD1 3.41Å; Q302-D306 PolarHBondContact O-N 3.44Å; D306-L308 PolarHBondContact O-N 3.46Å; D306-Q309 PolarHBondContact O-N 2.66Å; D306-E310 WeakPolarHBondContact O-CB 3.44Å; D306-E310 PolarHBondContact O-N 2.86Å |
| 307 | V | 90.4 | Very high | 84.8 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 112.3 | E303 K311 | E303-V307 WeakPolarHBondContact O-CB 3.37Å; E303-V307 VanDerWaalsContact O-CG2 3.22Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.33Å; V307-K311 WeakPolarHBondContact O-CB 3.31Å; V307-K311 PolarHBondContact O-N 3.28Å |
| 308 | L | 88.1 | Confident | 86.1 | Confident | 81 Ų | 81 | 106.8 Ų | 106.8 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 173.7 | -78.2 | 170.2 | 0 | 0 | 0 | 111.8 | L304 Q305 D306 K311 N312 | L304-L308 HydrophobicContact CD1-CD1 4.38Å; L304-L308 HydrophobicContact CD1-CG 4.43Å; L304-L308 HydrophobicContact CG-CD1 4.15Å; L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.24Å; Q305-L308 PolarHBondContact O-N 3.13Å; D306-L308 PolarHBondContact O-N 3.46Å; L308-K311 HydrophobicContact CD2-CD 4.49Å; L308-N312 WeakPolarHBondContact O-CB 3.45Å; L308-N312 PolarHBondContact O-N 3.33Å; L308-N312 PolarHBondContact O-ND2 2.92Å |
| 309 | Q | 85.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -50.4 | 174.6 | -176.4 | 174.9 | -26 | 0 | 0 | 110.9 | Q305 D306 K311 N312 E313 | Q305-Q309 WeakPolarHBondContact O-CB 3.2Å; Q305-Q309 PolarHBondContact O-N 3.25Å; D306-Q309 PolarHBondContact O-N 2.66Å; Q309-K311 VanDerWaalsContact C-N 3.31Å; Q309-K311 PolarHBondContact O-N 2.95Å; Q309-N312 WeakPolarHBondContact O-CA 3.48Å; Q309-N312 WeakPolarHBondContact O-CB 3.41Å; Q309-N312 PolarHBondContact O-N 2.95Å; Q309-E313 HydrophobicContact CG-CG 4.46Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.48Å; Q309-E313 PolarHBondContact NE2-OE1 3.22Å; Q309-E313 WeakPolarHBondContact O-CG 3.3Å; Q309-E313 PolarHBondContact O-N 3.33Å |
| 310 | E | 92.4 | Very high | 87.8 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 175.7 | -173.5 | -176.5 | -173.9 | 0 | 0 | 111.2 | D306 N312 E313 L314 | D306-E310 WeakPolarHBondContact O-CB 3.44Å; D306-E310 PolarHBondContact O-N 2.86Å; E310-N312 VanDerWaalsContact C-N 3.32Å; E310-N312 PolarHBondContact O-N 2.85Å; E310-E313 PolarHBondContact O-N 3.43Å; E310-L314 HydrophobicContact CG-CD1 4.04Å; E310-L314 HydrophobicContact CG-CG 4.45Å; E310-L314 WeakPolarHBondContact O-CB 3.47Å; E310-L314 VanDerWaalsContact O-CG 3.27Å; E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 2.89Å |
| 311 | K | 92.1 | Very high | 88.1 | Confident | 130 Ų | 130 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 173.2 | 176.1 | -171.4 | 172.2 | -170.2 | 0 | 112.4 | V307 L308 Q309 K315 | V307-K311 WeakPolarHBondContact O-CB 3.31Å; V307-K311 PolarHBondContact O-N 3.28Å; L308-K311 HydrophobicContact CD2-CD 4.49Å; Q309-K311 VanDerWaalsContact C-N 3.31Å; Q309-K311 PolarHBondContact O-N 2.95Å; K311-K315 VanDerWaalsContact O-CB 3.23Å; K311-K315 WeakPolarHBondContact O-CB 3.24Å; K311-K315 PolarHBondContact O-N 3.12Å |
| 312 | N | 85.1 | Confident | 88.3 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 179.8 | -73 | -19.7 | 0 | 0 | 0 | 111.6 | L308 Q309 E310 K315 A316 | L308-N312 WeakPolarHBondContact O-CB 3.45Å; L308-N312 PolarHBondContact O-N 3.33Å; L308-N312 PolarHBondContact O-ND2 2.92Å; Q309-N312 WeakPolarHBondContact O-CA 3.48Å; Q309-N312 WeakPolarHBondContact O-CB 3.41Å; Q309-N312 PolarHBondContact O-N 2.95Å; E310-N312 VanDerWaalsContact C-N 3.32Å; E310-N312 PolarHBondContact O-N 2.85Å; N312-K315 PolarHBondContact O-N 3.21Å; N312-A316 PolarHBondContact O-N 3.07Å |
| 313 | E | 90.4 | Very high | 88.6 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 173.7 | -71.3 | 175.2 | -166.3 | 0 | 0 | 111.3 | Q309 E310 K315 A316 Q317 | Q309-E313 HydrophobicContact CG-CG 4.46Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.48Å; Q309-E313 PolarHBondContact NE2-OE1 3.22Å; Q309-E313 WeakPolarHBondContact O-CG 3.3Å; Q309-E313 PolarHBondContact O-N 3.33Å; E310-E313 PolarHBondContact O-N 3.43Å; E313-K315 VanDerWaalsContact C-N 3.32Å; E313-K315 PolarHBondContact O-N 3.33Å; E313-A316 WeakPolarHBondContact O-CB 3.43Å; E313-A316 PolarHBondContact O-N 3.49Å; E313-Q317 WeakPolarHBondContact O-CG 3.41Å; E313-Q317 PolarHBondContact O-N 3.06Å |
| 314 | L | 92.9 | Very high | 88.7 | Confident | 85 Ų | 85 | 102.1 Ų | 102.1 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 173.1 | -71.7 | 172.3 | 0 | 0 | 0 | 112 | E310 A316 Q317 V318 | E310-L314 HydrophobicContact CG-CD1 4.04Å; E310-L314 HydrophobicContact CG-CG 4.45Å; E310-L314 WeakPolarHBondContact O-CB 3.47Å; E310-L314 VanDerWaalsContact O-CG 3.27Å; E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 2.89Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-Q317 PolarHBondContact O-N 3.1Å; L314-V318 WeakPolarHBondContact O-CB 3.34Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.21Å; L314-V318 PolarHBondContact O-N 3.21Å |
| 315 | K | 91.3 | Very high | 88.7 | Confident | 149 Ų | 149 | 102.5 Ų | 102.5 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -38.5 | 174.4 | -172.3 | -175.6 | 177.3 | -165.8 | 0 | 111.5 | K311 N312 E313 F319 | K311-K315 VanDerWaalsContact O-CB 3.23Å; K311-K315 WeakPolarHBondContact O-CB 3.24Å; K311-K315 PolarHBondContact O-N 3.12Å; N312-K315 PolarHBondContact O-N 3.21Å; E313-K315 VanDerWaalsContact C-N 3.32Å; E313-K315 PolarHBondContact O-N 3.33Å; K315-F319 WeakPolarHBondContact O-CB 3.32Å; K315-F319 PolarHBondContact O-N 3.32Å |
| 316 | A | 88.4 | Confident | 88.6 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N312 E313 L314 F319 M320 | N312-A316 PolarHBondContact O-N 3.07Å; E313-A316 WeakPolarHBondContact O-CB 3.43Å; E313-A316 PolarHBondContact O-N 3.49Å; L314-A316 VanDerWaalsContact C-N 3.34Å; A316-F319 WeakPolarHBondContact O-CB 3.31Å; A316-F319 PolarHBondContact O-N 3.35Å; A316-M320 PolarHBondContact O-N 2.97Å |
| 317 | Q | 88.4 | Confident | 88.5 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.2 | -69.9 | 176.2 | 21.7 | 0 | 0 | 112.1 | E313 L314 F319 M320 L321 | E313-Q317 WeakPolarHBondContact O-CG 3.41Å; E313-Q317 PolarHBondContact O-N 3.06Å; L314-Q317 PolarHBondContact O-N 3.1Å; Q317-F319 VanDerWaalsContact C-N 3.3Å; Q317-F319 PolarHBondContact O-N 2.84Å; Q317-M320 PolarHBondContact O-N 2.87Å; Q317-L321 WeakPolarHBondContact O-CB 3.25Å; Q317-L321 VanDerWaalsContact O-CG 3.3Å; Q317-L321 WeakPolarHBondContact O-CG 3.44Å; Q317-L321 PolarHBondContact O-N 3.41Å |
| 318 | V | 90.6 | Very high | 87.9 | Confident | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 175 | 168 | 0 | 0 | 0 | 0 | 111.2 | L314 Q322 | L314-V318 WeakPolarHBondContact O-CB 3.34Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.21Å; L314-V318 PolarHBondContact O-N 3.21Å; V318-Q322 HydrophobicContact CG1-CG 4.36Å; V318-Q322 VanDerWaalsContact O-CB 3.29Å; V318-Q322 WeakPolarHBondContact O-CB 3.36Å; V318-Q322 WeakPolarHBondContact O-CG 3.47Å; V318-Q322 PolarHBondContact O-N 3.44Å |
| 319 | F | 89.9 | Confident | 87.3 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -48.7 | 175.1 | -176.1 | -90.8 | 0 | 0 | 0 | 111.8 | K315 A316 Q317 L321 Q322 E323 | K315-F319 WeakPolarHBondContact O-CB 3.32Å; K315-F319 PolarHBondContact O-N 3.32Å; A316-F319 WeakPolarHBondContact O-CB 3.31Å; A316-F319 PolarHBondContact O-N 3.35Å; Q317-F319 VanDerWaalsContact C-N 3.3Å; Q317-F319 PolarHBondContact O-N 2.84Å; F319-L321 PolarHBondContact O-N 3.17Å; F319-Q322 WeakPolarHBondContact O-CB 3.49Å; F319-Q322 PolarHBondContact O-N 3.37Å; F319-Q322 VanDerWaalsContact O-N 3.13Å; F319-E323 PolarHBondContact O-N 3.12Å |
| 320 | M | 89.5 | Confident | 86.3 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 176.6 | -64.9 | -163.7 | -48.7 | 0 | 0 | 112.1 | A316 Q317 Q322 E323 E324 | A316-M320 PolarHBondContact O-N 2.97Å; Q317-M320 PolarHBondContact O-N 2.87Å; M320-Q322 VanDerWaalsContact C-N 3.3Å; M320-Q322 PolarHBondContact O-N 3.06Å; M320-E323 WeakPolarHBondContact O-CB 3.5Å; M320-E323 PolarHBondContact O-N 2.94Å; M320-E324 WeakPolarHBondContact O-CG 3.42Å; M320-E324 PolarHBondContact O-N 2.9Å |
| 321 | L | 89.8 | Confident | 84.9 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 48% | 0.482 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -31.2 | 174.6 | -71.4 | 169.4 | 0 | 0 | 0 | 112.4 | Q317 F319 L325 | Q317-L321 WeakPolarHBondContact O-CB 3.25Å; Q317-L321 VanDerWaalsContact O-CG 3.3Å; Q317-L321 WeakPolarHBondContact O-CG 3.44Å; Q317-L321 PolarHBondContact O-N 3.41Å; F319-L321 PolarHBondContact O-N 3.17Å; L321-L325 WeakPolarHBondContact O-CB 3.32Å; L321-L325 WeakPolarHBondContact O-CD1 3.17Å; L321-L325 WeakPolarHBondContact O-CG 3.39Å; L321-L325 PolarHBondContact O-N 3.49Å |
| 322 | Q | 85.2 | Confident | 83 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.2 | -35.8 | 172 | -79.5 | 173 | -12.6 | 0 | 0 | 111.8 | V318 F319 M320 A326 | V318-Q322 HydrophobicContact CG1-CG 4.36Å; V318-Q322 VanDerWaalsContact O-CB 3.29Å; V318-Q322 WeakPolarHBondContact O-CB 3.36Å; V318-Q322 WeakPolarHBondContact O-CG 3.47Å; V318-Q322 PolarHBondContact O-N 3.44Å; F319-Q322 WeakPolarHBondContact O-CB 3.49Å; F319-Q322 PolarHBondContact O-N 3.37Å; F319-Q322 VanDerWaalsContact O-N 3.13Å; M320-Q322 VanDerWaalsContact C-N 3.3Å; M320-Q322 PolarHBondContact O-N 3.06Å; Q322-A326 VanDerWaalsContact O-CB 3.23Å; Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 2.95Å |
| 323 | E | 88.6 | Confident | 81.4 | Confident | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | 174.4 | -172.3 | 171.9 | -163.4 | 0 | 0 | 111.6 | F319 M320 A326 Y327 | F319-E323 PolarHBondContact O-N 3.12Å; M320-E323 WeakPolarHBondContact O-CB 3.5Å; M320-E323 PolarHBondContact O-N 2.94Å; E323-A326 WeakPolarHBondContact O-CB 3.35Å; E323-A326 PolarHBondContact O-N 3.29Å; E323-A326 VanDerWaalsContact O-N 3.16Å; E323-Y327 WeakPolarHBondContact O-CB 3.42Å; E323-Y327 PolarHBondContact O-N 3.14Å |
| 324 | E | 89.5 | Confident | 79.4 | Confident | 105 Ų | 105 | 109.3 Ų | 109.3 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 172.3 | -73 | 179 | -179.6 | 0 | 0 | 111.6 | M320 A326 Y327 Y328 | M320-E324 WeakPolarHBondContact O-CG 3.42Å; M320-E324 PolarHBondContact O-N 2.9Å; E324-A326 VanDerWaalsContact C-N 3.27Å; E324-A326 PolarHBondContact O-N 2.88Å; E324-Y327 WeakPolarHBondContact O-CB 3.24Å; E324-Y327 PolarHBondContact O-N 3.08Å; E324-Y328 WeakPolarHBondContact O-CD2 3.31Å; E324-Y328 PolarHBondContact O-N 3.14Å |
| 325 | L | 84.2 | Confident | 77 | Confident | 100 Ų | 100 | 112.9 Ų | 112.9 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -26.1 | 176 | -73.5 | 172.7 | 0 | 0 | 0 | 113.1 | L321 K329 | L321-L325 WeakPolarHBondContact O-CB 3.32Å; L321-L325 WeakPolarHBondContact O-CD1 3.17Å; L321-L325 WeakPolarHBondContact O-CG 3.39Å; L321-L325 PolarHBondContact O-N 3.49Å; L325-K329 WeakPolarHBondContact O-CB 3.44Å; L325-K329 VanDerWaalsContact O-CD 3.26Å; L325-K329 WeakPolarHBondContact O-CD 3.24Å; L325-K329 WeakPolarHBondContact O-CG 3.46Å; L325-K329 PolarHBondContact O-N 3.29Å |
| 326 | A | 81.6 | Confident | 74.7 | Confident | 52 Ų | 52 | 112 Ų | 112 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.9 | -45.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q322 E323 E324 K329 S330 | Q322-A326 VanDerWaalsContact O-CB 3.23Å; Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 2.95Å; E323-A326 WeakPolarHBondContact O-CB 3.35Å; E323-A326 PolarHBondContact O-N 3.29Å; E323-A326 VanDerWaalsContact O-N 3.16Å; E324-A326 VanDerWaalsContact C-N 3.27Å; E324-A326 PolarHBondContact O-N 2.88Å; A326-K329 CarbonylContact O-C 3.6Å; A326-K329 PolarHBondContact O-N 3.25Å; A326-S330 PolarHBondContact O-N 2.9Å; A326-S330 PolarHBondContact O-OG 2.96Å |
| 327 | Y | 83.5 | Confident | 72.1 | Confident | 136 Ų | 136 | 115.9 Ų | 115.9 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.8 | -54.4 | 177.2 | 179.2 | -104.4 | 0 | 0 | 0 | 111.7 | E323 E324 K329 S330 E331 | E323-Y327 WeakPolarHBondContact O-CB 3.42Å; E323-Y327 PolarHBondContact O-N 3.14Å; E324-Y327 WeakPolarHBondContact O-CB 3.24Å; E324-Y327 PolarHBondContact O-N 3.08Å; Y327-K329 VanDerWaalsContact C-N 3.33Å; Y327-K329 PolarHBondContact O-N 2.98Å; Y327-S330 WeakPolarHBondContact CA-OG 3.46Å; Y327-S330 PolarHBondContact O-N 3.45Å; Y327-S330 VanDerWaalsContact O-N 3.12Å; Y327-S330 PolarHBondContact O-OG 2.97Å; Y327-E331 PolarHBondContact O-N 3.47Å |
| 328 | Y | 78.9 | Confident | 69.4 | Low | 135 Ų | 135 | 116.5 Ų | 116.5 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.4 | -32.9 | 178.2 | -66.3 | -58.9 | 0 | 0 | 0 | 113.1 | E324 E331 D332 | E324-Y328 WeakPolarHBondContact O-CD2 3.31Å; E324-Y328 PolarHBondContact O-N 3.14Å; Y328-E331 PolarHBondContact O-N 3.17Å; Y328-D332 WeakPolarHBondContact O-CB 3.4Å; Y328-D332 PolarHBondContact O-N 3.11Å |
| 329 | K | 75 | Confident | 67.5 | Low | 131 Ų | 131 | 119 Ų | 119 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.7 | -30.3 | 172.6 | -77.4 | 172.2 | -171.5 | 171 | 0 | 113.6 | L325 A326 Y327 L333 | L325-K329 WeakPolarHBondContact O-CB 3.44Å; L325-K329 VanDerWaalsContact O-CD 3.26Å; L325-K329 WeakPolarHBondContact O-CD 3.24Å; L325-K329 WeakPolarHBondContact O-CG 3.46Å; L325-K329 PolarHBondContact O-N 3.29Å; A326-K329 CarbonylContact O-C 3.6Å; A326-K329 PolarHBondContact O-N 3.25Å; Y327-K329 VanDerWaalsContact C-N 3.33Å; Y327-K329 PolarHBondContact O-N 2.98Å; K329-L333 WeakPolarHBondContact O-CB 3.04Å; K329-L333 VanDerWaalsContact O-CD1 3.31Å; K329-L333 WeakPolarHBondContact O-CD1 3.4Å; K329-L333 WeakPolarHBondContact O-CG 3.38Å; K329-L333 PolarHBondContact O-N 3.4Å |
| 330 | S | 65.9 | Low | 64.6 | Low | 52 Ų | 52 | 118.3 Ų | 118.3 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.4 | -37.2 | 170.5 | 34.1 | 0 | 0 | 0 | 0 | 111.3 | A326 Y327 D332 L333 E334 | A326-S330 PolarHBondContact O-N 2.9Å; A326-S330 PolarHBondContact O-OG 2.96Å; Y327-S330 WeakPolarHBondContact CA-OG 3.46Å; Y327-S330 PolarHBondContact O-N 3.45Å; Y327-S330 VanDerWaalsContact O-N 3.12Å; Y327-S330 PolarHBondContact O-OG 2.97Å; S330-D332 VanDerWaalsContact C-N 3.34Å; S330-D332 PolarHBondContact O-N 3.39Å; S330-L333 CarbonylContact O-C 3.49Å; S330-L333 WeakPolarHBondContact O-CA 3.32Å; S330-L333 PolarHBondContact O-N 3.04Å; S330-E334 WeakPolarHBondContact O-CG 3.41Å; S330-E334 PolarHBondContact O-N 3.45Å |
| 331 | E | 62.1 | Low | 61.8 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 49% | 0.486 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.3 | -37.3 | 174.9 | -158.5 | 165.5 | -153.4 | 0 | 0 | 111.6 | Y327 Y328 L333 | Y327-E331 PolarHBondContact O-N 3.47Å; Y328-E331 PolarHBondContact O-N 3.17Å; E331-L333 PolarHBondContact O-N 3.31Å |
| 332 | D | 53 | Low | 58.9 | Low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -14.6 | 169.8 | -79.2 | -24.2 | 0 | 0 | 0 | 114.1 | Y328 S330 | Y328-D332 WeakPolarHBondContact O-CB 3.4Å; Y328-D332 PolarHBondContact O-N 3.11Å; S330-D332 VanDerWaalsContact C-N 3.34Å; S330-D332 PolarHBondContact O-N 3.39Å |
| 333 | L | 51.1 | Low | 56.3 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -18.3 | -178.2 | -72.8 | 172.1 | 0 | 0 | 0 | 113.7 | K329 S330 E331 D335 D336 | K329-L333 WeakPolarHBondContact O-CB 3.04Å; K329-L333 VanDerWaalsContact O-CD1 3.31Å; K329-L333 WeakPolarHBondContact O-CD1 3.4Å; K329-L333 WeakPolarHBondContact O-CG 3.38Å; K329-L333 PolarHBondContact O-N 3.4Å; S330-L333 CarbonylContact O-C 3.49Å; S330-L333 WeakPolarHBondContact O-CA 3.32Å; S330-L333 PolarHBondContact O-N 3.04Å; E331-L333 PolarHBondContact O-N 3.31Å; L333-D335 PolarHBondContact O-N 3.05Å; L333-D336 PolarHBondContact O-N 3.25Å |
| 334 | E | 47.6 | Very low | 53.5 | Low | 166 Ų | 166 | 120 Ų | 120 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -11.7 | 178.1 | -81.3 | -175.4 | -176.5 | 0 | 0 | 113.6 | S330 D336 | S330-E334 WeakPolarHBondContact O-CG 3.41Å; S330-E334 PolarHBondContact O-N 3.45Å; E334-D336 VanDerWaalsContact C-N 3.32Å |
| 335 | D | 44 | Very low | 50.6 | Low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.2 | 172.7 | -137 | 18.9 | 0 | 0 | 0 | 112.7 | L333 | L333-D335 PolarHBondContact O-N 3.05Š|
| 336 | D | 41.6 | Very low | 47.9 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -136.3 | 91.5 | -178.6 | -113.5 | -28.3 | 0 | 0 | 0 | 114.2 | L333 E334 | L333-D336 PolarHBondContact O-N 3.25Å; E334-D336 VanDerWaalsContact C-N 3.32Å |
| 337 | T | 33.8 | Very low | 46.5 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | trans | 81.2 | 158.1 | 156.2 | 67.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 338 | S | 32.6 | Very low | 43.9 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -104.9 | -177.8 | -155.1 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 339 | P | 49.9 | Very low | 41.6 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -93.4 | 162.4 | -136.7 | 38.6 | -41.9 | 0 | 0 | 0 | 116.7 | ||||
| 340 | S | 29.1 | Very low | 39.5 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -153.7 | 148.2 | 163.4 | -165.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 341 | D | 30.9 | Very low | 37.8 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | trans | -64.8 | 154 | -178.7 | -56.7 | -72 | 0 | 0 | 0 | 114.1 | ||||
| 342 | S | 29.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 116 Ų | 116 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | 165.9 | 122 | 106.5 | 49.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 343 | T | 30.6 | Very low | 35.5 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | trans | 50.1 | 139.4 | 136.8 | 62.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 344 | T | 29 | Very low | 34.8 | Very low | 118 Ų | 118 | 113 Ų | 113 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | trans | 111.9 | 132.6 | 135.3 | 62.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 345 | N | 29.5 | Very low | 34 | Very low | 146 Ų | 146 | 114.4 Ų | 114.4 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | trans | 90.6 | 102.6 | 147.6 | -60.3 | -18.9 | 0 | 0 | 0 | 121.8 | ||||
| 346 | T | 27.2 | Very low | 33.9 | Very low | 104 Ų | 104 | 112.6 Ų | 112.6 | 64% | 0.638 | 68% | 0.678 | S | S | * | * | trans | -57.4 | -178.1 | 142.7 | 34 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 347 | P | 52.8 | Low | 34 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | cis | -132.1 | 173.1 | -34.9 | 34.3 | -18.8 | 0 | 0 | 0 | 112 | ||||
| 348 | S | 28.9 | Very low | 35 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -178.8 | 105.3 | 141.3 | -101.5 | 0 | 0 | 0 | 0 | 114 | L230 | L230-S348 WeakPolarHBondContact CD2-O 3.33Š| ||
| 349 | Q | 30.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 105.3 Ų | 105.3 | 44% | 0.435 | 63% | 0.626 | S | S | . | * | 54.5 | 123.8 | 113.4 | -123.8 | 166.2 | -19 | 0 | 0 | 121.5 | S233 | S233-Q349 WeakPolarHBondContact O-CG 3.37Å; S233-Q349 PolarHBondContact O-NE2 3.14Å; S233-Q349 VanDerWaalsContact OG-C 3.3Å; S233-Q349 WeakPolarHBondContact OG-CA 3.44Å; S233-Q349 WeakPolarHBondContact OG-CB 3.3Å; S233-Q349 WeakPolarHBondContact OG-CG 3.5Å | |||
| 350 | L | 30 | Very low | 36.1 | Very low | 69 Ų | 69 | 101.7 Ų | 101.7 | 36% | 0.361 | 60% | 0.599 | S | S | . | * | trans | 127.4 | 137.6 | 138.6 | -58.6 | -178.6 | 0 | 0 | 0 | 115.6 | L230 S233 Q237 | L230-L350 CarbonylContact O-C 3.58Å; S233-L350 VanDerWaalsContact OG-CA 3.28Å; S233-L350 WeakPolarHBondContact OG-CA 3.3Å; S233-L350 PolarHBondContact OG-N 3.39Å; Q237-L350 HydrophobicContact CB-CD2 3.67Å; Q237-L350 HydrophobicContact CG-CD2 3.54Å; Q237-L350 VanDerWaalsContact OE1-CD1 3.25Å | ||
| 351 | T | 31.3 | Very low | 37.4 | Very low | 88 Ų | 88 | 103.2 Ų | 103.2 | 54% | 0.54 | 59% | 0.586 | S | S | . | * | cis | -148.4 | 150.1 | -1.1 | 7.5 | 0 | 0 | 0 | 0 | 111.5 | Q237 | Q237-T351 HydrophobicContact CB-CG2 4.35Š| ||
| 352 | S | 34 | Very low | 38.6 | Very low | 35 Ų | 35 | 101.6 Ų | 101.6 | 25% | 0.245 | 57% | 0.569 | C | S | . | * | trans | -153.6 | 154.6 | 168.8 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | E231 A234 Q235 | E231-S352 PolarHBondContact O-OG 2.85Å; A234-S352 CarbonylContact C-O 3.6Å; Q235-S352 VanDerWaalsContact CA-O 3.28Å; Q235-S352 WeakPolarHBondContact CA-O 3.4Å; Q235-S352 VanDerWaalsContact CG-OG 3.26Å; Q235-S352 WeakPolarHBondContact CG-OG 3.41Å; Q235-S352 PolarHBondContact N-O 2.9Å; Q235-S352 PolarHBondContact NE2-OG 3.39Å | ||
| 353 | A | 31.9 | Very low | 40 | Very low | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | trans | -127.5 | 153.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q238 | Q238-A353 HydrophobicContact CG-CB 4.01Å; Q238-A353 VanDerWaalsContact NE2-CB 3.3Å | ||
| 354 | D | 36.5 | Very low | 41.5 | Very low | 143 Ų | 143 | 93.2 Ų | 93.2 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | trans | 67.3 | 103.6 | 159.1 | -59.7 | -9.5 | 0 | 0 | 0 | 120.7 | ||||
| 355 | Q | 31.6 | Very low | 42.9 | Very low | 194 Ų | 194 | 93.3 Ų | 93.3 | 91% | 0.907 | 50% | 0.502 | S | S | * | . | trans | -148.4 | 158.7 | 143.2 | -90.2 | -147.8 | -6.9 | 0 | 0 | 111.7 | ||||
| 356 | P | 40 | Very low | 44.3 | Very low | 122 Ų | 122 | 88.3 Ų | 88.3 | 79% | 0.792 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 169.8 | -153.7 | 37 | -37.5 | 0 | 0 | 0 | 117 | ||
| 357 | E | 43.7 | Very low | 45.6 | Very low | 162 Ų | 162 | 83.3 Ų | 83.3 | 76% | 0.757 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 131 | -169.7 | -58.8 | -176.7 | 145.3 | 0 | 0 | 116.1 | R362 | E357-R362 PolarHBondContact O-NH2 3.33Š|
| 358 | S | 55 | Low | 45.9 | Very low | 58 Ų | 58 | 79.7 Ų | 79.7 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 133.2 | 179.7 | 174.6 | 0 | 0 | 0 | 0 | 115.1 | I360 R361 R362 | S358-I360 VanDerWaalsContact C-N 3.33Å; S358-I360 PolarHBondContact O-N 3.35Å; S358-R361 PolarHBondContact O-N 3.35Å; S358-R362 PolarHBondContact O-N 2.92Å |
| 359 | G | 52.6 | Low | 47.5 | Very low | 9 Ų | 9 | 78.4 Ų | 78.4 | 9% | 0.093 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -29.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R362 L363 | G359-R362 WeakPolarHBondContact O-CB 3.44Å; G359-R362 PolarHBondContact O-N 3.31Å; G359-L363 PolarHBondContact O-N 3.04Å |
| 360 | I | 54.1 | Low | 48.9 | Very low | 51 Ų | 51 | 76.7 Ų | 76.7 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.5 | -70.4 | -176.4 | 0 | 0 | 0 | 111.2 | Y28 A31 S358 R362 L363 I364 | Y28-I360 HydrophobicContact CD1-CD1 3.45Å; Y28-I360 VanDerWaalsContact CD1-CD1 3.45Å; Y28-I360 HydrophobicContact CD1-CG1 4.07Å; Y28-I360 HydrophobicContact CE1-CD1 3.55Å; A31-I360 HydrophobicContact CB-CG1 4.04Å; S358-I360 VanDerWaalsContact C-N 3.33Å; S358-I360 PolarHBondContact O-N 3.35Å; I360-R362 VanDerWaalsContact C-N 3.29Å; I360-R362 PolarHBondContact O-N 3.32Å; I360-L363 PolarHBondContact O-N 3.49Å; I360-I364 HydrophobicContact CG2-CD1 3.83Å; I360-I364 VanDerWaalsContact O-CG1 3.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 3.2Å |
| 361 | R | 55.4 | Low | 50.5 | Low | 151 Ų | 151 | 73.5 Ų | 73.5 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 172.5 | -76.5 | -172.2 | 173.7 | -163.9 | -0.9 | 110.2 | S358 L363 I364 F365 | S358-R361 PolarHBondContact O-N 3.35Å; R361-L363 PolarHBondContact O-N 3.04Å; R361-I364 PolarHBondContact O-N 3.07Å; R361-F365 HydrophobicContact CB-CD2 4.38Å; R361-F365 VanDerWaalsContact O-CD2 3.24Å; R361-F365 WeakPolarHBondContact O-CD2 3Å; R361-F365 PolarHBondContact O-N 3.1Å |
| 362 | R | 57.6 | Low | 51.9 | Low | 113 Ų | 113 | 72 Ų | 72 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 177 | -153.5 | 177.4 | -54.8 | 170.8 | 10 | 111.9 | E357 S358 G359 I360 I364 F365 T366 | E357-R362 PolarHBondContact O-NH2 3.33Å; S358-R362 PolarHBondContact O-N 2.92Å; G359-R362 WeakPolarHBondContact O-CB 3.44Å; G359-R362 PolarHBondContact O-N 3.31Å; I360-R362 VanDerWaalsContact C-N 3.29Å; I360-R362 PolarHBondContact O-N 3.32Å; R362-I364 VanDerWaalsContact C-N 3.31Å; R362-I364 PolarHBondContact O-N 3.36Å; R362-F365 PolarHBondContact O-N 2.7Å; R362-T366 WeakPolarHBondContact O-CB 3.36Å; R362-T366 PolarHBondContact O-N 3.44Å; R362-T366 PolarHBondContact O-OG1 2.93Å; R362-T366 VanDerWaalsContact O-OG1 3.1Å |
| 363 | L | 59.1 | Low | 53 | Low | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.6 | -43.8 | 175.5 | 178.4 | 68.4 | 0 | 0 | 0 | 112.5 | G35 F38 V58 G359 I360 R361 A367 | G35-L363 VanDerWaalsContact CA-CD1 3.45Å; F38-L363 HydrophobicContact CD2-CD1 3.86Å; F38-L363 HydrophobicContact CE2-CD1 4.49Å; V58-L363 HydrophobicContact CG2-CD2 4Å; G359-L363 PolarHBondContact O-N 3.04Å; I360-L363 PolarHBondContact O-N 3.49Å; R361-L363 PolarHBondContact O-N 3.04Å; L363-A367 HydrophobicContact CD1-CB 4.42Å; L363-A367 WeakPolarHBondContact O-CB 3.37Å; L363-A367 PolarHBondContact O-N 3.14Å |
| 364 | I | 61.7 | Low | 54.2 | Low | 43 Ų | 43 | 75 Ų | 75 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | I | π-helix | trans | -68.6 | -46.2 | -179.8 | -66.2 | 165.3 | 0 | 0 | 0 | 111.5 | I360 R361 R362 I368 M369 I386 | I360-I364 HydrophobicContact CG2-CD1 3.83Å; I360-I364 VanDerWaalsContact O-CG1 3.32Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 3.2Å; R361-I364 PolarHBondContact O-N 3.07Å; R362-I364 VanDerWaalsContact C-N 3.31Å; R362-I364 PolarHBondContact O-N 3.36Å; I364-I368 HydrophobicContact CG1-CD1 4.26Å; I364-I368 WeakPolarHBondContact O-CB 3.42Å; I364-I368 PolarHBondContact O-N 3.4Å; I364-M369 PolarHBondContact O-N 3.3Å; I364-M369 VanDerWaalsContact O-N 3.12Å; I364-I386 HydrophobicContact CG2-CD1 4.04Å; I364-I386 HydrophobicContact CG2-CG2 4.32Å |
| 365 | F | 57.6 | Low | 55.1 | Low | 120 Ų | 120 | 70.9 Ų | 70.9 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -74.7 | -33.3 | -178.2 | -79.5 | -70.4 | 0 | 0 | 0 | 113.7 | R361 R362 M369 | R361-F365 HydrophobicContact CB-CD2 4.38Å; R361-F365 VanDerWaalsContact O-CD2 3.24Å; R361-F365 WeakPolarHBondContact O-CD2 3Å; R361-F365 PolarHBondContact O-N 3.1Å; R362-F365 PolarHBondContact O-N 2.7Å; F365-M369 HydrophobicContact CD1-CG 4.05Å; F365-M369 WeakPolarHBondContact O-CB 3.5Å |
| 366 | T | 58.3 | Low | 56.3 | Low | 40 Ų | 40 | 64.5 Ų | 64.5 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -84.7 | -44.5 | -177.9 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | E39 R362 P370 | E39-T366 HydrophobicContact CB-CG2 3.68Å; E39-T366 HydrophobicContact CG-CG2 3.47Å; E39-T366 VanDerWaalsContact CG-CG2 3.47Å; E39-T366 VanDerWaalsContact OE1-CG2 3.25Å; E39-T366 WeakPolarHBondContact OE1-CG2 3.36Å; R362-T366 WeakPolarHBondContact O-CB 3.36Å; R362-T366 PolarHBondContact O-N 3.44Å; R362-T366 PolarHBondContact O-OG1 2.93Å; R362-T366 VanDerWaalsContact O-OG1 3.1Å; T366-P370 WeakPolarHBondContact O-CD 3.29Å; T366-P370 WeakPolarHBondContact O-CG 3.31Å |
| 367 | A | 56 | Low | 57.1 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -95.7 | -48.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I42 L363 M371 | I42-A367 HydrophobicContact CD1-CB 3.85Å; L363-A367 HydrophobicContact CD1-CB 4.42Å; L363-A367 WeakPolarHBondContact O-CB 3.37Å; L363-A367 PolarHBondContact O-N 3.14Å; A367-M371 WeakPolarHBondContact O-CG 3.44Å |
| 368 | I | 59.4 | Low | 57.5 | Low | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -81.2 | -39.5 | -168.1 | -55.5 | 180 | 0 | 0 | 0 | 111.9 | V54 I364 M371 V372 | V54-I368 HydrophobicContact CG1-CD1 4.12Å; V54-I368 HydrophobicContact CG1-CG1 3.92Å; I364-I368 HydrophobicContact CG1-CD1 4.26Å; I364-I368 WeakPolarHBondContact O-CB 3.42Å; I364-I368 PolarHBondContact O-N 3.4Å; I368-M371 PolarHBondContact O-N 3.25Å; I368-V372 HydrophobicContact CG2-CG2 4.15Å; I368-V372 WeakPolarHBondContact O-CG2 3.41Å; I368-V372 PolarHBondContact O-N 2.94Å |
| 369 | M | 61 | Low | 57.3 | Low | 70 Ų | 70 | 62 Ų | 62 | 35% | 0.345 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -47.2 | -179.9 | -85.8 | -88.4 | 83.8 | 0 | 0 | 114.2 | I364 F365 M371 V372 A373 | I364-M369 PolarHBondContact O-N 3.3Å; I364-M369 VanDerWaalsContact O-N 3.12Å; F365-M369 HydrophobicContact CD1-CG 4.05Å; F365-M369 WeakPolarHBondContact O-CB 3.5Å; M369-M371 VanDerWaalsContact C-N 3.27Å; M369-M371 PolarHBondContact O-N 3.16Å; M369-V372 HydrophobicContact CE-CB 4.31Å; M369-V372 HydrophobicContact CE-CG1 4.31Å; M369-V372 PolarHBondContact O-N 3.02Å; M369-A373 WeakPolarHBondContact O-CB 3.09Å; M369-A373 PolarHBondContact O-N 3.01Å |
| 370 | P | 61.1 | Low | 57 | Low | 57 Ų | 57 | 65.5 Ų | 65.5 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 176 | -26.3 | 36.1 | 0 | 0 | 0 | 113.6 | T366 A373 A374 | T366-P370 WeakPolarHBondContact O-CD 3.29Å; T366-P370 WeakPolarHBondContact O-CG 3.31Å; P370-A373 PolarHBondContact O-N 2.93Å; P370-A374 VanDerWaalsContact O-CB 3.32Å; P370-A374 WeakPolarHBondContact O-CB 3.38Å; P370-A374 PolarHBondContact O-N 3.5Å |
| 371 | M | 62.3 | Low | 56.8 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.5 | -35.8 | -179.5 | -67.4 | 163.2 | 75 | 0 | 0 | 112.5 | I42 C47 L50 V51 A367 I368 M369 L376 I377 | I42-M371 HydrophobicContact CD1-SD 4.46Å; C47-M371 HydrophobicContact CB-CG 3.39Å; C47-M371 HydrophobicContact CB-SD 4.07Å; L50-M371 HydrophobicContact CB-CE 4.27Å; V51-M371 HydrophobicContact CB-CE 3.97Å; V51-M371 HydrophobicContact CG2-CE 3.53Å; V51-M371 VanDerWaalsContact N-CE 3.29Å; A367-M371 WeakPolarHBondContact O-CG 3.44Å; I368-M371 PolarHBondContact O-N 3.25Å; M369-M371 VanDerWaalsContact C-N 3.27Å; M369-M371 PolarHBondContact O-N 3.16Å; M371-L376 PolarHBondContact O-N 3.01Å; M371-I377 HydrophobicContact CB-CD1 3.72Å; M371-I377 HydrophobicContact CB-CG1 4.29Å; M371-I377 HydrophobicContact CE-CD1 4.49Å |
| 372 | V | 61.8 | Low | 56.5 | Low | 58 Ų | 58 | 65.7 Ų | 65.7 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 170.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | I368 M369 A374 G375 I377 | I368-V372 HydrophobicContact CG2-CG2 4.15Å; I368-V372 WeakPolarHBondContact O-CG2 3.41Å; I368-V372 PolarHBondContact O-N 2.94Å; M369-V372 HydrophobicContact CE-CB 4.31Å; M369-V372 HydrophobicContact CE-CG1 4.31Å; M369-V372 PolarHBondContact O-N 3.02Å; V372-A374 VanDerWaalsContact C-N 3.3Å; V372-A374 PolarHBondContact O-N 3.3Å; V372-G375 PolarHBondContact O-N 3.05Å; V372-G375 VanDerWaalsContact O-N 3.09Å; V372-I377 HydrophobicContact CG2-CB 4.5Å; V372-I377 HydrophobicContact CG2-CD1 4.16Å |
| 373 | A | 55.4 | Low | 56.2 | Low | 91 Ų | 91 | 63 Ų | 63 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64 | -32.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M369 P370 G375 | M369-A373 WeakPolarHBondContact O-CB 3.09Å; M369-A373 PolarHBondContact O-N 3.01Å; P370-A373 PolarHBondContact O-N 2.93Å; A373-G375 VanDerWaalsContact C-N 3.25Å; A373-G375 PolarHBondContact O-N 3.18Å |
| 374 | A | 57.3 | Low | 55.8 | Low | 62 Ų | 62 | 68 Ų | 68 | 51% | 0.512 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -1.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P370 V372 L376 | P370-A374 VanDerWaalsContact O-CB 3.32Å; P370-A374 WeakPolarHBondContact O-CB 3.38Å; P370-A374 PolarHBondContact O-N 3.5Å; V372-A374 VanDerWaalsContact C-N 3.3Å; V372-A374 PolarHBondContact O-N 3.3Å; A374-L376 HydrophobicContact CB-CD1 3.81Å; A374-L376 HydrophobicContact CB-CG 4.06Å; A374-L376 PolarHBondContact O-N 3.37Å |
| 375 | G | 56.2 | Low | 55.1 | Low | 57 Ų | 57 | 70.1 Ų | 70.1 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 12.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | V372 A373 I377 | V372-G375 PolarHBondContact O-N 3.05Å; V372-G375 VanDerWaalsContact O-N 3.09Å; A373-G375 VanDerWaalsContact C-N 3.25Å; A373-G375 PolarHBondContact O-N 3.18Å; G375-I377 VanDerWaalsContact C-N 3.32Å |
| 376 | L | 57.7 | Low | 54.5 | Low | 61 Ų | 61 | 66.5 Ų | 66.5 | 32% | 0.319 | 41% | 0.412 | S | S | . | . | trans | -82.4 | -10.2 | -175.9 | -66.2 | 165.4 | 0 | 0 | 0 | 113.5 | C47 E48 V51 M371 A374 | C47-L376 VanDerWaalsContact SG-CD1 3.52Å; E48-L376 HydrophobicContact CG-CD1 3.69Å; E48-L376 HydrophobicContact CG-CD2 4.03Å; V51-L376 HydrophobicContact CG2-CB 4.1Å; M371-L376 PolarHBondContact O-N 3.01Å; A374-L376 HydrophobicContact CB-CD1 3.81Å; A374-L376 HydrophobicContact CB-CG 4.06Å; A374-L376 PolarHBondContact O-N 3.37Å | ||
| 377 | I | 56 | Low | 54 | Low | 41 Ų | 41 | 72.4 Ų | 72.4 | 21% | 0.21 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -118.5 | 101 | 175.4 | -56.6 | 175.3 | 0 | 0 | 0 | 107.7 | V51 M371 V372 G375 L383 | V51-I377 HydrophobicContact CG1-CG1 4.15Å; M371-I377 HydrophobicContact CB-CD1 3.72Å; M371-I377 HydrophobicContact CB-CG1 4.29Å; M371-I377 HydrophobicContact CE-CD1 4.49Å; V372-I377 HydrophobicContact CG2-CB 4.5Å; V372-I377 HydrophobicContact CG2-CD1 4.16Å; G375-I377 VanDerWaalsContact C-N 3.32Å; I377-L383 HydrophobicContact CG2-CD1 4.21Å |
| 378 | T | 52.1 | Low | 53.5 | Low | 125 Ų | 125 | 81.8 Ų | 81.8 | 77% | 0.767 | 47% | 0.465 | S | S | * | . | trans | -68.6 | 137 | 172.5 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | D380 | T378-D380 PolarHBondContact O-N 3.15Š| ||
| 379 | D | 50.2 | Low | 52.8 | Low | 123 Ų | 123 | 84.6 Ų | 84.6 | 66% | 0.658 | 48% | 0.48 | S | S | * | . | trans | -38.1 | 95.9 | -173.9 | -73.2 | -86.7 | 0 | 0 | 0 | 115 | R387 | D379-R387 IonicContact OD1-CZ 3.84Å; D379-R387 IonicContact OD1-NH1 3.72Å; D379-R387 PolarHBondContact OD1-NH1 3.21Å; D379-R387 IonicContact OD1-NH2 2.76Å; D379-R387 PolarHBondContact OD1-NH2 3.04Å | ||
| 380 | D | 47.4 | Very low | 52 | Low | 82 Ų | 82 | 85.8 Ų | 85.8 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | trans | -89 | 126 | 167.6 | -170.7 | -49.5 | 0 | 0 | 0 | 109.2 | T378 T382 L383 | T378-D380 PolarHBondContact O-N 3.15Å; D380-T382 VanDerWaalsContact CG-OG1 3.24Å; D380-T382 PolarHBondContact O-N 3.42Å; D380-T382 WeakPolarHBondContact OD1-CB 3.39Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.41Å; D380-T382 PolarHBondContact OD1-N 2.94Å; D380-T382 PolarHBondContact OD1-OG1 3.38Å; D380-L383 PolarHBondContact O-N 3.4Å; D380-L383 VanDerWaalsContact O-N 3.15Å | ||
| 381 | P | 48.8 | Very low | 50.8 | Low | 102 Ų | 102 | 87 Ų | 87 | 66% | 0.662 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -62.4 | -11.5 | -178.6 | 25.7 | -35.1 | 0 | 0 | 0 | 114.5 | L383 L384 | P381-L383 VanDerWaalsContact C-N 3.27Å; P381-L383 PolarHBondContact O-N 3.42Å; P381-L384 WeakPolarHBondContact O-CD1 3.32Å; P381-L384 WeakPolarHBondContact O-CG 3.35Å |
| 382 | T | 48.9 | Very low | 49.9 | Very low | 104 Ų | 104 | 96 Ų | 96 | 64% | 0.638 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -70.2 | -17.4 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | D380 L384 P385 | D380-T382 VanDerWaalsContact CG-OG1 3.24Å; D380-T382 PolarHBondContact O-N 3.42Å; D380-T382 WeakPolarHBondContact OD1-CB 3.39Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.41Å; D380-T382 PolarHBondContact OD1-N 2.94Å; D380-T382 PolarHBondContact OD1-OG1 3.38Å; T382-L384 VanDerWaalsContact C-N 3.29Å; T382-L384 PolarHBondContact O-N 3.09Å; T382-P385 VanDerWaalsContact O-CD 3.3Å; T382-P385 WeakPolarHBondContact O-CD 3.25Å |
| 383 | L | 51.1 | Low | 48.7 | Very low | 58 Ų | 58 | 101.4 Ų | 101.4 | 30% | 0.304 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -84.2 | 6.1 | -179.7 | -58.1 | 177.2 | 0 | 0 | 0 | 114.5 | I377 D380 P381 P385 I386 R387 | I377-L383 HydrophobicContact CG2-CD1 4.21Å; D380-L383 PolarHBondContact O-N 3.4Å; D380-L383 VanDerWaalsContact O-N 3.15Å; P381-L383 VanDerWaalsContact C-N 3.27Å; P381-L383 PolarHBondContact O-N 3.42Å; L383-P385 VanDerWaalsContact C-N 3.34Å; L383-I386 HydrophobicContact CD2-CD1 4.07Å; L383-I386 WeakPolarHBondContact O-CB 3.26Å; L383-I386 PolarHBondContact O-N 3.16Å; L383-R387 PolarHBondContact O-N 3.45Å |
| 384 | L | 50.7 | Low | 48.3 | Very low | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -52 | -35 | 177.3 | -81.3 | 168.6 | 0 | 0 | 0 | 115.9 | P381 T382 I386 R387 R388 | P381-L384 WeakPolarHBondContact O-CD1 3.32Å; P381-L384 WeakPolarHBondContact O-CG 3.35Å; T382-L384 VanDerWaalsContact C-N 3.29Å; T382-L384 PolarHBondContact O-N 3.09Å; L384-I386 VanDerWaalsContact C-N 3.26Å; L384-I386 PolarHBondContact O-N 2.63Å; L384-R387 PolarHBondContact O-N 3.26Å; L384-R388 PolarHBondContact O-N 3.25Å |
| 385 | P | 48.4 | Very low | 47.9 | Very low | 88 Ų | 88 | 104.1 Ų | 104.1 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.3 | -33.3 | 175.2 | -24.3 | 35.5 | 0 | 0 | 0 | 113.2 | T382 L383 R388 | T382-P385 VanDerWaalsContact O-CD 3.3Å; T382-P385 WeakPolarHBondContact O-CD 3.25Å; L383-P385 VanDerWaalsContact C-N 3.34Å; P385-R388 PolarHBondContact O-N 2.94Å |
| 386 | I | 45.4 | Very low | 47.4 | Very low | 43 Ų | 43 | 106.7 Ų | 106.7 | 22% | 0.221 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -74.1 | -36.9 | -178.7 | -56.6 | 177.1 | 0 | 0 | 0 | 110.3 | I364 L383 L384 R388 L389 V390 | I364-I386 HydrophobicContact CG2-CD1 4.04Å; I364-I386 HydrophobicContact CG2-CG2 4.32Å; L383-I386 HydrophobicContact CD2-CD1 4.07Å; L383-I386 WeakPolarHBondContact O-CB 3.26Å; L383-I386 PolarHBondContact O-N 3.16Å; L384-I386 VanDerWaalsContact C-N 3.26Å; L384-I386 PolarHBondContact O-N 2.63Å; I386-R388 VanDerWaalsContact C-N 3.27Å; I386-R388 PolarHBondContact O-N 3.17Å; I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 3.18Å; I386-L389 VanDerWaalsContact O-N 3.14Å; I386-V390 PolarHBondContact O-N 2.7Å |
| 387 | R | 47.5 | Very low | 46.8 | Very low | 164 Ų | 164 | 109.4 Ų | 109.4 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.1 | -25.9 | 173.7 | -80.3 | -167.5 | 172.5 | 151.7 | 8.9 | 113.6 | D379 L383 L384 L389 V390 S391 | D379-R387 IonicContact OD1-CZ 3.84Å; D379-R387 IonicContact OD1-NH1 3.72Å; D379-R387 PolarHBondContact OD1-NH1 3.21Å; D379-R387 IonicContact OD1-NH2 2.76Å; D379-R387 PolarHBondContact OD1-NH2 3.04Å; L383-R387 PolarHBondContact O-N 3.45Å; L384-R387 PolarHBondContact O-N 3.26Å; R387-L389 VanDerWaalsContact C-N 3.32Å; R387-V390 PolarHBondContact O-N 2.91Å; R387-S391 PolarHBondContact O-N 3.03Å |
| 388 | R | 45.3 | Very low | 46.2 | Very low | 197 Ų | 197 | 113.6 Ų | 113.6 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.6 | -22 | 173.1 | -77 | -172.3 | 173.8 | -179.6 | -0.9 | 114.1 | L384 P385 I386 S391 | L384-R388 PolarHBondContact O-N 3.25Å; P385-R388 PolarHBondContact O-N 2.94Å; I386-R388 VanDerWaalsContact C-N 3.27Å; I386-R388 PolarHBondContact O-N 3.17Å; R388-S391 PolarHBondContact O-OG 2.87Å |
| 389 | L | 44 | Very low | 45.8 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.1 | -29.2 | 169.6 | -91.2 | 134.7 | 0 | 0 | 0 | 112.1 | I386 R387 S391 F392 | I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 3.18Å; I386-L389 VanDerWaalsContact O-N 3.14Å; R387-L389 VanDerWaalsContact C-N 3.32Å; L389-S391 VanDerWaalsContact C-N 3.32Å; L389-F392 PolarHBondContact O-N 3.3Å |
| 390 | V | 44.8 | Very low | 45.5 | Very low | 95 Ų | 95 | 112.1 Ų | 112.1 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.3 | -17.2 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | I386 R387 F392 | I386-V390 PolarHBondContact O-N 2.7Å; R387-V390 PolarHBondContact O-N 2.91Å; V390-F392 VanDerWaalsContact C-N 3.3Å |
| 391 | S | 36.1 | Very low | 45.4 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 10.7 | 172.3 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | R387 R388 L389 | R387-S391 PolarHBondContact O-N 3.03Å; R388-S391 PolarHBondContact O-OG 2.87Å; L389-S391 VanDerWaalsContact C-N 3.32Å |
| 392 | F | 42.1 | Very low | 45.1 | Very low | 191 Ų | 191 | 115.5 Ų | 115.5 | 84% | 0.838 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 13.7 | 179.7 | -103.3 | -78.3 | 0 | 0 | 0 | 112.9 | L389 V390 | L389-F392 PolarHBondContact O-N 3.3Å; V390-F392 VanDerWaalsContact C-N 3.3Å |
| 393 | V | 36.5 | Very low | 44.7 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 100% | 1.042 | 59% | 0.59 | S | S | * | * | trans | -115.7 | 0 | 159.7 | -176 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 393 of 393 residues in 600.6 ms
(Link to these results)