| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 25.8 | Very low | 30 | Very low | 246 Ų | 246 | 120.4 Ų | 120.4 | 100% | 1.212 | 76% | 0.764 | S | S | * | * | 0 | 121.8 | 0 | -71.3 | -179.5 | -163 | 0 | 0 | 106.8 | |||||
| 2 | A | 27.7 | Very low | 32 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | trans | -56.7 | 135.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T4 | A2-T4 HydrophobicContact CB-CG2 4.24Å; A2-T4 PolarHBondContact O-N 3.03Å; A2-T4 PolarHBondContact O-OG1 3.47Å | ||
| 3 | T | 25.1 | Very low | 34.2 | Very low | 150 Ų | 150 | 111 Ų | 111 | 92% | 0.92 | 69% | 0.689 | S | S | * | * | trans | -62.7 | 72.8 | 165.2 | 27.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | T | 31.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 105.6 Ų | 105.6 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | trans | -99.9 | 93 | 170.4 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | A2 | A2-T4 HydrophobicContact CB-CG2 4.24Å; A2-T4 PolarHBondContact O-N 3.03Å; A2-T4 PolarHBondContact O-OG1 3.47Å | ||
| 5 | A | 28.9 | Very low | 39.5 | Very low | 93 Ų | 93 | 99.5 Ų | 99.5 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -169.4 | -28.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 6 | A | 28.2 | Very low | 42.5 | Very low | 95 Ų | 95 | 93.8 Ų | 93.8 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -91.7 | -20 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 7 | C | 28.8 | Very low | 45.4 | Very low | 122 Ų | 122 | 88.2 Ų | 88.2 | 82% | 0.824 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -95.1 | 7.1 | -177.8 | -88.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 8 | L | 25.9 | Very low | 48.1 | Very low | 159 Ų | 159 | 83.3 Ų | 83.3 | 83% | 0.832 | 52% | 0.518 | S | S | * | . | trans | -103 | 30.4 | 174.8 | -75.5 | 166.3 | 0 | 0 | 0 | 112.3 | S10 | L8-S10 PolarHBondContact O-N 3.49Š| ||
| 9 | A | 31.9 | Very low | 50.5 | Low | 77 Ų | 77 | 78.9 Ų | 78.9 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -60.9 | 90.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | H11 | A9-H11 PolarHBondContact O-N 2.76Å; A9-H11 VanDerWaalsContact O-N 3.09Å |
| 10 | S | 34.8 | Very low | 52.6 | Low | 74 Ų | 74 | 75 Ų | 75 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | trans | -36.7 | 118.5 | 175.2 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | L8 M12 | L8-S10 PolarHBondContact O-N 3.49Å; S10-M12 WeakPolarHBondContact O-CG 3.46Å; S10-M12 PolarHBondContact O-N 2.99Å | ||
| 11 | H | 41 | Very low | 54.4 | Low | 104 Ų | 104 | 71.9 Ų | 71.9 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | trans | -65.6 | 83 | 175.9 | -69.6 | -68.5 | 0 | 0 | 0 | 107.8 | A9 K13 | A9-H11 PolarHBondContact O-N 2.76Å; A9-H11 VanDerWaalsContact O-N 3.09Å; H11-K13 CarbonylContact C-O 3.58Å; H11-K13 PolarHBondContact O-N 3.29Å; H11-K13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | M | 54.2 | Low | 57.3 | Low | 66 Ų | 66 | 61 Ų | 61 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -64.3 | -13.3 | -173.9 | -77 | 174.6 | 26.9 | 0 | 0 | 112.8 | S10 Y391 K395 V396 | S10-M12 WeakPolarHBondContact O-CG 3.46Å; S10-M12 PolarHBondContact O-N 2.99Å; M12-Y391 HydrophobicContact CE-CE1 4.32Å; M12-K395 WeakPolarHBondContact CE-O 3.31Å; M12-V396 HydrophobicContact CG-CB 4.36Å; M12-V396 HydrophobicContact CG-CG1 4.22Å; M12-V396 HydrophobicContact CG-CG2 4.08Å |
| 13 | K | 60.1 | Low | 59.9 | Low | 53 Ų | 53 | 60.1 Ų | 60.1 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -139.9 | 155.5 | 169 | -67.7 | 179.5 | -179.8 | 178.4 | 0 | 106.8 | H11 | H11-K13 CarbonylContact C-O 3.58Å; H11-K13 PolarHBondContact O-N 3.29Å; H11-K13 VanDerWaalsContact O-N 3.1Å |
| 14 | P | 66.1 | Low | 62 | Low | 36 Ų | 36 | 61.3 Ų | 61.3 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 137.2 | 167 | -21.6 | 30.4 | 0 | 0 | 0 | 109.5 | N63 P427 | P14-N63 PolarHBondContact O-ND2 3.26Å; P14-N63 VanDerWaalsContact O-ND2 3.15Å; P14-P427 HydrophobicContact CB-CG 4.47Å; P14-P427 HydrophobicContact CG-CG 4.04Å |
| 15 | P | 82 | Confident | 63.6 | Low | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.5 | 178.7 | 21.1 | -33 | 0 | 0 | 0 | 111.5 | Q44 Y45 T46 I65 | P15-Q44 VanDerWaalsContact CD-O 3.24Å; P15-Q44 WeakPolarHBondContact CD-O 3.45Å; P15-Q44 WeakPolarHBondContact CG-O 3.34Å; P15-Y45 HydrophobicContact CG-CD1 3.93Å; P15-Y45 HydrophobicContact CG-CE1 4.04Å; P15-Y45 WeakPolarHBondContact O-CA 3.33Å; P15-T46 PolarHBondContact O-N 3.35Å; P15-I65 HydrophobicContact CB-CB 3.71Å; P15-I65 HydrophobicContact CB-CG2 3.73Å; P15-I65 HydrophobicContact CG-CB 4.47Å; P15-I65 HydrophobicContact CG-CD1 4.47Å; P15-I65 HydrophobicContact CG-CG2 4.3Å |
| 16 | N | 87.4 | Confident | 65.6 | Low | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 136.1 | -177.8 | -63.8 | -23.9 | 0 | 0 | 0 | 110.8 | I18 T46 H48 N63 A64 I65 F525 | N16-I18 HydrophobicContact CB-CD1 3.88Å; N16-T46 CarbonylContact C-O 3.38Å; N16-T46 VanDerWaalsContact CA-O 3.27Å; N16-T46 WeakPolarHBondContact CA-O 3.43Å; N16-H48 PolarHBondContact OD1-CD2 3.48Å; N16-H48 PolarHBondContact OD1-NE2 3.02Å; N16-N63 WeakPolarHBondContact CB-O 3.36Å; N16-N63 PolarHBondContact N-O 3.42Å; N16-N63 PolarHBondContact ND2-ND2 2.7Å; N16-N63 PolarHBondContact OD1-ND2 3.11Å; N16-A64 WeakPolarHBondContact O-CA 3.33Å; N16-I65 PolarHBondContact O-N 2.98Å; N16-F525 HydrophobicContact CB-CE1 4.43Å; N16-F525 WeakPolarHBondContact ND2-CD1 3.5Å |
| 17 | V | 92.4 | Very high | 68.1 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.9 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | L19 L40 Y45 T46 I47 H48 I65 L68 F199 | V17-L19 HydrophobicContact CG1-CD2 4.09Å; V17-L40 HydrophobicContact CG1-CD1 4.27Å; V17-L40 HydrophobicContact CG2-CD1 4.2Å; V17-Y45 HydrophobicContact CG2-CD1 3.88Å; V17-Y45 HydrophobicContact CG2-CG 3.96Å; V17-T46 PolarHBondContact N-O 3.41Å; V17-I47 HydrophobicContact CB-CG1 4.5Å; V17-I47 WeakPolarHBondContact O-CA 3.38Å; V17-H48 PolarHBondContact O-N 2.94Å; V17-I65 HydrophobicContact CG2-CG2 4.18Å; V17-L68 HydrophobicContact CG1-CD1 3.81Å; V17-L68 HydrophobicContact CG1-CD2 4.45Å; V17-F199 HydrophobicContact CG2-CD1 4.37Å; V17-F199 HydrophobicContact CG2-CE1 3.7Å; V17-F199 HydrophobicContact CG2-CZ 4.41Å |
| 18 | I | 93.9 | Very high | 70.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124 | -176.2 | -48.3 | -59.1 | 0 | 0 | 0 | 109 | N16 I20 H48 L50 W60 A64 G66 V67 L68 F525 | N16-I18 HydrophobicContact CB-CD1 3.88Å; I18-I20 HydrophobicContact CG2-CD1 4.25Å; I18-I20 HydrophobicContact CG2-CG1 3.95Å; I18-H48 CarbonylContact C-O 3.6Å; I18-H48 WeakPolarHBondContact CA-O 3.46Å; I18-H48 HydrophobicContact CD1-CB 4.26Å; I18-L50 HydrophobicContact CG2-CB 3.62Å; I18-L50 HydrophobicContact CG2-CD2 4.07Å; I18-L50 HydrophobicContact CG2-CG 4.49Å; I18-W60 HydrophobicContact CG1-CE3 4.09Å; I18-A64 HydrophobicContact CD1-CB 4.38Å; I18-A64 HydrophobicContact CG1-CB 3.89Å; I18-G66 PolarHBondContact N-O 2.83Å; I18-V67 HydrophobicContact CB-CG1 4.26Å; I18-V67 HydrophobicContact CB-CG2 4.21Å; I18-V67 HydrophobicContact CG1-CG2 4.46Å; I18-V67 HydrophobicContact CG2-CG1 4.49Å; I18-V67 CarbonylContact O-C 3.4Å; I18-V67 WeakPolarHBondContact O-CA 3.4Å; I18-L68 PolarHBondContact O-N 3.4Å; I18-F525 HydrophobicContact CD1-CD1 4.46Å; I18-F525 HydrophobicContact CD1-CE1 3.33Å; I18-F525 HydrophobicContact CD1-CZ 3.61Å |
| 19 | L | 93.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.1 | 172.5 | -48.6 | -170.5 | 0 | 0 | 0 | 109.4 | V17 L29 H33 L36 I47 H48 Q49 L50 L68 | V17-L19 HydrophobicContact CG1-CD2 4.09Å; L19-L29 HydrophobicContact CB-CD1 3.55Å; L19-H33 HydrophobicContact CD1-CB 3.91Å; L19-L36 HydrophobicContact CD1-CD1 3.76Å; L19-L36 HydrophobicContact CD2-CD1 3.31Å; L19-L36 HydrophobicContact CG-CD1 4.18Å; L19-I47 HydrophobicContact CD1-CG2 3.53Å; L19-I47 HydrophobicContact CD2-CG2 4.21Å; L19-I47 HydrophobicContact CG-CG2 3.62Å; L19-H48 PolarHBondContact N-O 3.04Å; L19-Q49 HydrophobicContact CB-CG 4.45Å; L19-Q49 WeakPolarHBondContact O-CA 3.12Å; L19-L50 PolarHBondContact O-N 3.31Å; L19-L68 WeakPolarHBondContact CA-O 3.46Å; L19-L68 HydrophobicContact CD2-CB 3.77Å; L19-L68 HydrophobicContact CD2-CD2 4.16Å; L19-L68 HydrophobicContact CD2-CG 4.49Å |
| 20 | I | 92.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.6 | 179.3 | -55 | -178.2 | 0 | 0 | 0 | 108.4 | I18 L50 I52 I55 V67 L68 L69 T70 | I18-I20 HydrophobicContact CG2-CD1 4.25Å; I18-I20 HydrophobicContact CG2-CG1 3.95Å; I20-L50 HydrophobicContact CG1-CB 4.27Å; I20-I52 HydrophobicContact CG2-CB 4.01Å; I20-I52 HydrophobicContact CG2-CD1 3.8Å; I20-I55 HydrophobicContact CD1-CG2 3.46Å; I20-I55 VanDerWaalsContact CD1-CG2 3.46Å; I20-V67 HydrophobicContact CD1-CG1 3.6Å; I20-V67 HydrophobicContact CG1-CG1 4.02Å; I20-L68 PolarHBondContact N-O 2.45Å; I20-L69 HydrophobicContact CB-CD2 4.32Å; I20-L69 HydrophobicContact CB-CG 4.18Å; I20-L69 HydrophobicContact CD1-CD2 4.25Å; I20-L69 HydrophobicContact CD1-CG 4.49Å; I20-L69 HydrophobicContact CG2-CD2 4.47Å; I20-L69 CarbonylContact O-C 3.53Å; I20-L69 WeakPolarHBondContact O-CA 3.21Å; I20-T70 PolarHBondContact O-N 2.88Å |
| 21 | D | 90.5 | Very high | 78.9 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116 | 163.7 | -158 | -21.3 | 0 | 0 | 0 | 109.1 | I23 L29 T70 N71 | D21-I23 PolarHBondContact O-N 3.37Å; D21-I23 PolarHBondContact OD1-N 2.94Å; D21-L29 HydrophobicContact CB-CB 4.06Å; D21-L29 HydrophobicContact CB-CD1 4.27Å; D21-L29 HydrophobicContact CB-CD2 4.37Å; D21-L29 HydrophobicContact CB-CG 4.47Å; D21-L29 PolarHBondContact OD2-N 3.44Å; D21-T70 WeakPolarHBondContact CA-OG1 3.06Å; D21-T70 PolarHBondContact OD1-OG1 2.86Å; D21-N71 PolarHBondContact OD1-ND2 3.3Å |
| 22 | A | 86.3 | Confident | 81.3 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -64.2 | -21.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T70 N71 L75 | A22-T70 WeakPolarHBondContact CB-O 3.47Å; A22-T70 PolarHBondContact N-O 3.26Å; A22-T70 VanDerWaalsContact N-O 3.09Å; A22-N71 HydrophobicContact CB-CB 4.26Å; A22-N71 WeakPolarHBondContact CB-O 3.21Å; A22-L75 HydrophobicContact CB-CD2 3.72Å; A22-L75 HydrophobicContact CB-CG 4.34Å |
| 23 | I | 81.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 43 Ų | 43 | 32% | 0.323 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -129.5 | 99.6 | 176.3 | -48.9 | 176.3 | 0 | 0 | 0 | 109.2 | D21 A25 T26 N71 S74 | D21-I23 PolarHBondContact O-N 3.37Å; D21-I23 PolarHBondContact OD1-N 2.94Å; I23-A25 PolarHBondContact O-N 2.95Å; I23-T26 HydrophobicContact CB-CG2 4.17Å; I23-T26 HydrophobicContact CG2-CG2 4.04Å; I23-T26 PolarHBondContact O-N 3.05Å; I23-N71 HydrophobicContact CB-CB 4.34Å; I23-N71 HydrophobicContact CD1-CB 3.88Å; I23-N71 HydrophobicContact CG1-CB 3.84Å; I23-S74 VanDerWaalsContact CD1-OG 3.23Å; I23-S74 WeakPolarHBondContact CD1-OG 3.34Å |
| 24 | K | 70.3 | Confident | 84.2 | Confident | 176 Ų | 176 | 46.2 Ų | 46.2 | 77% | 0.765 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -24 | -177.3 | -82.4 | -176.5 | 176.2 | 175.7 | 0 | 116 | ||
| 25 | A | 65.3 | Low | 85.3 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 79% | 0.793 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I23 | I23-A25 PolarHBondContact O-N 2.95Š|
| 26 | T | 70.2 | Confident | 85.7 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -93.5 | -11.9 | -171.8 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | I23 N28 N71 | I23-T26 HydrophobicContact CB-CG2 4.17Å; I23-T26 HydrophobicContact CG2-CG2 4.04Å; I23-T26 PolarHBondContact O-N 3.05Å; T26-N28 PolarHBondContact O-N 2.99Å; T26-N28 VanDerWaalsContact OG1-CB 3.27Å; T26-N28 WeakPolarHBondContact OG1-CB 3.3Å; T26-N28 PolarHBondContact OG1-N 3.04Å; T26-N28 PolarHBondContact OG1-ND2 3.44Å; T26-N71 PolarHBondContact OG1-ND2 3.36Å |
| 27 | G | 81.2 | Confident | 85.4 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 68 | 7.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | L29 E30 K31 | G27-L29 VanDerWaalsContact C-N 3.29Å; G27-L29 PolarHBondContact O-N 3.35Å; G27-E30 PolarHBondContact O-N 2.92Å; G27-K31 PolarHBondContact O-N 2.8Å |
| 28 | N | 84.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -34.4 | -179.1 | -75.3 | -11.8 | 0 | 0 | 0 | 111.6 | T26 E30 K31 L32 T70 N71 F177 | T26-N28 PolarHBondContact O-N 2.99Å; T26-N28 VanDerWaalsContact OG1-CB 3.27Å; T26-N28 WeakPolarHBondContact OG1-CB 3.3Å; T26-N28 PolarHBondContact OG1-N 3.04Å; T26-N28 PolarHBondContact OG1-ND2 3.44Å; N28-E30 VanDerWaalsContact C-N 3.33Å; N28-E30 PolarHBondContact O-N 3.11Å; N28-K31 PolarHBondContact O-N 2.95Å; N28-L32 WeakPolarHBondContact O-CB 3.45Å; N28-L32 PolarHBondContact O-N 3.41Å; N28-T70 HydrophobicContact CB-CG2 4.42Å; N28-N71 PolarHBondContact ND2-OD1 3.21Å; N28-F177 HydrophobicContact CB-CE1 3.83Å; N28-F177 HydrophobicContact CB-CE2 3.82Å; N28-F177 HydrophobicContact CB-CZ 3.36Å; N28-F177 VanDerWaalsContact CG-CE1 3.41Å; N28-F177 WeakPolarHBondContact O-CZ 3.44Å; N28-F177 VanDerWaalsContact OD1-CE1 3.25Å; N28-F177 WeakPolarHBondContact OD1-CE1 3.48Å |
| 29 | L | 86.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177 | -162.7 | 61.8 | 0 | 0 | 0 | 113.1 | L19 D21 G27 L32 H33 Q49 | L19-L29 HydrophobicContact CB-CD1 3.55Å; D21-L29 HydrophobicContact CB-CB 4.06Å; D21-L29 HydrophobicContact CB-CD1 4.27Å; D21-L29 HydrophobicContact CB-CD2 4.37Å; D21-L29 HydrophobicContact CB-CG 4.47Å; D21-L29 PolarHBondContact OD2-N 3.44Å; G27-L29 VanDerWaalsContact C-N 3.29Å; G27-L29 PolarHBondContact O-N 3.35Å; L29-L32 PolarHBondContact O-N 3.27Å; L29-H33 VanDerWaalsContact O-CB 3.22Å; L29-H33 WeakPolarHBondContact O-CB 3.44Å; L29-H33 PolarHBondContact O-N 2.9Å; L29-Q49 HydrophobicContact CD2-CB 4.2Å; L29-Q49 HydrophobicContact CD2-CG 3.96Å; L29-Q49 HydrophobicContact CG-CG 4.35Å |
| 30 | E | 87.6 | Confident | 84.2 | Confident | 149 Ų | 149 | 50.7 Ų | 50.7 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | -179.9 | -67.8 | 179.7 | 175.7 | 0 | 0 | 111.4 | G27 N28 H33 L34 | G27-E30 PolarHBondContact O-N 2.92Å; N28-E30 VanDerWaalsContact C-N 3.33Å; N28-E30 PolarHBondContact O-N 3.11Å; E30-H33 PolarHBondContact O-N 3.06Å; E30-L34 WeakPolarHBondContact O-CB 3.31Å; E30-L34 PolarHBondContact O-N 2.97Å |
| 31 | K | 89.5 | Confident | 83.2 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 175.3 | -67.7 | -179.9 | -178.7 | 175.5 | 0 | 111.4 | G27 N28 H33 L34 S35 F177 | G27-K31 PolarHBondContact O-N 2.8Å; N28-K31 PolarHBondContact O-N 2.95Å; K31-H33 PolarHBondContact O-N 3.43Å; K31-L34 PolarHBondContact O-N 3.22Å; K31-S35 PolarHBondContact O-N 3.02Å; K31-S35 PolarHBondContact O-OG 2.99Å; K31-F177 HydrophobicContact CB-CZ 4.23Å |
| 32 | L | 90.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.5 | -178.3 | 60 | 0 | 0 | 0 | 111.1 | N28 L29 L34 S35 L36 L68 T70 F96 F177 T181 | N28-L32 WeakPolarHBondContact O-CB 3.45Å; N28-L32 PolarHBondContact O-N 3.41Å; L29-L32 PolarHBondContact O-N 3.27Å; L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 3.22Å; L32-S35 PolarHBondContact O-N 3.18Å; L32-L36 HydrophobicContact CD1-CD1 4.1Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CD2-CD1 4.39Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.09Å; L32-L68 HydrophobicContact CD2-CB 4.27Å; L32-T70 HydrophobicContact CB-CG2 4.3Å; L32-T70 HydrophobicContact CD2-CG2 3.54Å; L32-F96 HydrophobicContact CD1-CD2 4.33Å; L32-F96 HydrophobicContact CD1-CE2 3.77Å; L32-F96 HydrophobicContact CD1-CZ 3.98Å; L32-F96 HydrophobicContact CD2-CD2 3.87Å; L32-F96 HydrophobicContact CD2-CE2 3.74Å; L32-F96 HydrophobicContact CG-CE2 4.44Å; L32-F177 HydrophobicContact CB-CE2 4.13Å; L32-T181 HydrophobicContact CB-CG2 4.47Å; L32-T181 HydrophobicContact CD1-CG2 4.35Å |
| 33 | H | 88.9 | Confident | 81 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 26% | 0.255 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 178.4 | -173.7 | -94.9 | 0 | 0 | 0 | 111.5 | L19 L29 E30 K31 L36 N37 | L19-H33 HydrophobicContact CD1-CB 3.91Å; L29-H33 VanDerWaalsContact O-CB 3.22Å; L29-H33 WeakPolarHBondContact O-CB 3.44Å; L29-H33 PolarHBondContact O-N 2.9Å; E30-H33 PolarHBondContact O-N 3.06Å; K31-H33 PolarHBondContact O-N 3.43Å; H33-L36 PolarHBondContact O-N 2.85Å; H33-N37 PolarHBondContact CE1-ND2 3.28Å; H33-N37 PolarHBondContact ND1-ND2 2.89Å; H33-N37 PolarHBondContact O-N 3.29Å; H33-N37 PolarHBondContact O-ND2 2.84Å |
| 34 | L | 85.8 | Confident | 80.5 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.4 | -49.3 | 174.7 | -175.1 | 66.1 | 0 | 0 | 0 | 111.6 | E30 K31 L32 L36 N37 T38 | E30-L34 WeakPolarHBondContact O-CB 3.31Å; E30-L34 PolarHBondContact O-N 2.97Å; K31-L34 PolarHBondContact O-N 3.22Å; L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 3.22Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 3.21Å; L34-N37 PolarHBondContact O-N 3Å; L34-T38 PolarHBondContact O-N 3.07Å |
| 35 | S | 89.2 | Confident | 81.1 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.2 | -68 | 0 | 0 | 0 | 0 | 111.9 | K31 L32 N37 T38 C39 C180 | K31-S35 PolarHBondContact O-N 3.02Å; K31-S35 PolarHBondContact O-OG 2.99Å; L32-S35 PolarHBondContact O-N 3.18Å; S35-N37 PolarHBondContact O-N 3.43Å; S35-T38 PolarHBondContact O-N 3.14Å; S35-T38 VanDerWaalsContact O-N 3.09Å; S35-T38 PolarHBondContact O-OG1 3.11Å; S35-C39 PolarHBondContact O-N 3.26Å; S35-C39 PolarHBondContact O-SG 3.49Å; S35-C180 PolarHBondContact OG-O 3.39Å |
| 36 | L | 90.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 178.9 | -72.4 | 171.6 | 0 | 0 | 0 | 112.9 | L19 L32 H33 L34 T38 C39 L40 I47 L68 L190 L194 | L19-L36 HydrophobicContact CD1-CD1 3.76Å; L19-L36 HydrophobicContact CD2-CD1 3.31Å; L19-L36 HydrophobicContact CG-CD1 4.18Å; L32-L36 HydrophobicContact CD1-CD1 4.1Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CD2-CD1 4.39Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.09Å; H33-L36 PolarHBondContact O-N 2.85Å; L34-L36 VanDerWaalsContact C-N 3.32Å; L34-L36 PolarHBondContact O-N 3.21Å; L36-T38 PolarHBondContact O-N 3.49Å; L36-T38 VanDerWaalsContact O-N 3.15Å; L36-C39 PolarHBondContact O-N 3.24Å; L36-L40 HydrophobicContact CB-CD1 4.35Å; L36-L40 HydrophobicContact CD2-CD1 3.97Å; L36-L40 HydrophobicContact CD2-CG 4.2Å; L36-L40 PolarHBondContact O-N 2.46Å; L36-I47 HydrophobicContact CB-CD1 4.02Å; L36-L68 HydrophobicContact CD1-CD2 3.61Å; L36-L68 HydrophobicContact CD2-CD2 3.57Å; L36-L68 HydrophobicContact CG-CD2 4.2Å; L36-L190 HydrophobicContact CD2-CD1 4.41Å; L36-L190 HydrophobicContact CD2-CD2 4.02Å; L36-L190 HydrophobicContact CG-CD2 4.38Å; L36-L194 HydrophobicContact CD2-CD1 3.71Å; L36-L194 HydrophobicContact CD2-CD2 4.24Å |
| 37 | N | 82.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -21.8 | 174.9 | -74.1 | -39.4 | 0 | 0 | 0 | 113.3 | H33 L34 S35 R202 | H33-N37 PolarHBondContact CE1-ND2 3.28Å; H33-N37 PolarHBondContact ND1-ND2 2.89Å; H33-N37 PolarHBondContact O-N 3.29Å; H33-N37 PolarHBondContact O-ND2 2.84Å; L34-N37 PolarHBondContact O-N 3Å; S35-N37 PolarHBondContact O-N 3.43Å; N37-R202 PolarHBondContact O-NH1 3.45Å |
| 38 | T | 81.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -87.9 | -15.1 | 173.8 | 73.5 | 0 | 0 | 0 | 0 | 113.6 | L34 S35 L36 R191 | L34-T38 PolarHBondContact O-N 3.07Å; S35-T38 PolarHBondContact O-N 3.14Å; S35-T38 VanDerWaalsContact O-N 3.09Å; S35-T38 PolarHBondContact O-OG1 3.11Å; L36-T38 PolarHBondContact O-N 3.49Å; L36-T38 VanDerWaalsContact O-N 3.15Å; T38-R191 PolarHBondContact O-NH2 3.42Å |
| 39 | C | 87.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -112.5 | -43.2 | -171.2 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | S35 L36 A187 L190 R191 L194 V201 R202 | S35-C39 PolarHBondContact O-N 3.26Å; S35-C39 PolarHBondContact O-SG 3.49Å; L36-C39 PolarHBondContact O-N 3.24Å; C39-A187 PolarHBondContact SG-O 2.67Å; C39-L190 HydrophobicContact CB-CD2 4.4Å; C39-L190 HydrophobicContact CB-CG 4.42Å; C39-R191 HydrophobicContact CB-CG 3.8Å; C39-L194 HydrophobicContact CB-CD1 3.85Å; C39-V201 CarbonylContact O-C 3.57Å; C39-V201 WeakPolarHBondContact O-CA 3.4Å; C39-R202 PolarHBondContact O-N 3.49Å |
| 40 | L | 85.5 | Confident | 82.8 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 151.8 | -179.2 | -70.2 | 178.2 | 0 | 0 | 0 | 111.5 | V17 L36 P42 Y45 I47 L194 F199 | V17-L40 HydrophobicContact CG1-CD1 4.27Å; V17-L40 HydrophobicContact CG2-CD1 4.2Å; L36-L40 HydrophobicContact CB-CD1 4.35Å; L36-L40 HydrophobicContact CD2-CD1 3.97Å; L36-L40 HydrophobicContact CD2-CG 4.2Å; L36-L40 PolarHBondContact O-N 2.46Å; L40-P42 WeakPolarHBondContact O-CD 3.2Å; L40-Y45 HydrophobicContact CB-CD2 4.41Å; L40-Y45 HydrophobicContact CD2-CD2 4.17Å; L40-Y45 HydrophobicContact CD2-CE2 4.34Å; L40-I47 HydrophobicContact CD1-CD1 4.17Å; L40-I47 HydrophobicContact CD1-CG1 4.41Å; L40-L194 HydrophobicContact CD2-CD1 3.91Å; L40-L194 HydrophobicContact CG-CD1 4.11Å; L40-F199 HydrophobicContact CD2-CB 3.86Å; L40-F199 HydrophobicContact CD2-CD1 4.22Å; L40-F199 HydrophobicContact CD2-CG 4.1Å |
| 41 | D | 72.5 | Confident | 82.8 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | trans | -82.2 | 112 | 171.7 | -169.7 | -8.8 | 0 | 0 | 0 | 110.5 | D43 Q44 Y45 | D41-D43 PolarHBondContact O-N 2.83Å; D41-D43 WeakPolarHBondContact OD1-CB 3.29Å; D41-D43 PolarHBondContact OD1-N 3.34Å; D41-D43 VanDerWaalsContact OD1-N 3.1Å; D41-Q44 HydrophobicContact CB-CB 4.15Å; D41-Q44 HydrophobicContact CB-CG 3.95Å; D41-Q44 PolarHBondContact O-N 2.87Å; D41-Q44 VanDerWaalsContact O-N 3.08Å; D41-Y45 WeakPolarHBondContact O-CD2 3.39Å; D41-Y45 PolarHBondContact O-N 3.19Å; D41-Y45 VanDerWaalsContact O-N 3.16Å | ||
| 42 | P | 67.3 | Low | 82.8 | Confident | 73 Ų | 73 | 40 Ų | 40 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.7 | -179.6 | 31.1 | -37.6 | 0 | 0 | 0 | 113.1 | L40 Q44 | L40-P42 WeakPolarHBondContact O-CD 3.2Å; P42-Q44 VanDerWaalsContact C-N 3.28Å |
| 43 | D | 64.1 | Low | 82.6 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21 | 175.1 | -68.4 | -33.4 | 0 | 0 | 0 | 111.9 | D41 I343 | D41-D43 PolarHBondContact O-N 2.83Å; D41-D43 WeakPolarHBondContact OD1-CB 3.29Å; D41-D43 PolarHBondContact OD1-N 3.34Å; D41-D43 VanDerWaalsContact OD1-N 3.1Å; D43-I343 HydrophobicContact CB-CG1 3.95Å |
| 44 | Q | 71.4 | Confident | 82.6 | Confident | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -30.2 | -178.3 | -63.7 | -64.4 | -40.5 | 0 | 0 | 112.8 | P15 D41 P42 | P15-Q44 VanDerWaalsContact CD-O 3.24Å; P15-Q44 WeakPolarHBondContact CD-O 3.45Å; P15-Q44 WeakPolarHBondContact CG-O 3.34Å; D41-Q44 HydrophobicContact CB-CB 4.15Å; D41-Q44 HydrophobicContact CB-CG 3.95Å; D41-Q44 PolarHBondContact O-N 2.87Å; D41-Q44 VanDerWaalsContact O-N 3.08Å; P42-Q44 VanDerWaalsContact C-N 3.28Å |
| 45 | Y | 82.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | trans | -131.9 | 142.3 | -170.6 | -55.5 | -69.3 | 0 | 0 | 0 | 112.4 | P15 V17 L40 D41 I65 F199 S200 | P15-Y45 HydrophobicContact CG-CD1 3.93Å; P15-Y45 HydrophobicContact CG-CE1 4.04Å; P15-Y45 WeakPolarHBondContact O-CA 3.33Å; V17-Y45 HydrophobicContact CG2-CD1 3.88Å; V17-Y45 HydrophobicContact CG2-CG 3.96Å; L40-Y45 HydrophobicContact CB-CD2 4.41Å; L40-Y45 HydrophobicContact CD2-CD2 4.17Å; L40-Y45 HydrophobicContact CD2-CE2 4.34Å; D41-Y45 WeakPolarHBondContact O-CD2 3.39Å; D41-Y45 PolarHBondContact O-N 3.19Å; D41-Y45 VanDerWaalsContact O-N 3.16Å; Y45-I65 HydrophobicContact CD1-CG2 3.99Å; Y45-I65 HydrophobicContact CE1-CD1 4.11Å; Y45-I65 HydrophobicContact CE1-CG2 3.98Å; Y45-F199 HydrophobicContact CD1-CD1 4.48Å; Y45-F199 HydrophobicContact CE1-CD1 4.01Å; Y45-F199 HydrophobicContact CE1-CE1 4.49Å; Y45-F199 HydrophobicContact CE2-CD1 4.39Å; Y45-F199 AromaticContact CZ-CD1 3.97Å; Y45-S200 WeakPolarHBondContact CE2-O 3.48Å; Y45-S200 WeakPolarHBondContact OH-CB 3.39Å; Y45-S200 PolarHBondContact OH-N 2.8Å | ||
| 46 | T | 78.9 | Confident | 82.8 | Confident | 51 Ų | 51 | 43 Ų | 43 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.7 | 164.3 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | P15 N16 V17 H48 | P15-T46 PolarHBondContact O-N 3.35Å; N16-T46 CarbonylContact C-O 3.38Å; N16-T46 VanDerWaalsContact CA-O 3.27Å; N16-T46 WeakPolarHBondContact CA-O 3.43Å; V17-T46 PolarHBondContact N-O 3.41Å; T46-H48 VanDerWaalsContact CG2-NE2 3.29Å; T46-H48 WeakPolarHBondContact CG2-NE2 3.49Å |
| 47 | I | 84.5 | Confident | 82.3 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.3 | 178.3 | -56.6 | 177.8 | 0 | 0 | 0 | 108.8 | V17 L19 L36 L40 | V17-I47 HydrophobicContact CB-CG1 4.5Å; V17-I47 WeakPolarHBondContact O-CA 3.38Å; L19-I47 HydrophobicContact CD1-CG2 3.53Å; L19-I47 HydrophobicContact CD2-CG2 4.21Å; L19-I47 HydrophobicContact CG-CG2 3.62Å; L36-I47 HydrophobicContact CB-CD1 4.02Å; L40-I47 HydrophobicContact CD1-CD1 4.17Å; L40-I47 HydrophobicContact CD1-CG1 4.41Å |
| 48 | H | 84.5 | Confident | 82.2 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.125 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.9 | 175.1 | -69.3 | -86.1 | 0 | 0 | 0 | 111.1 | N16 V17 I18 L19 T46 S524 F525 | N16-H48 PolarHBondContact OD1-CD2 3.48Å; N16-H48 PolarHBondContact OD1-NE2 3.02Å; V17-H48 PolarHBondContact O-N 2.94Å; I18-H48 CarbonylContact C-O 3.6Å; I18-H48 WeakPolarHBondContact CA-O 3.46Å; I18-H48 HydrophobicContact CD1-CB 4.26Å; L19-H48 PolarHBondContact N-O 3.04Å; T46-H48 VanDerWaalsContact CG2-NE2 3.29Å; T46-H48 WeakPolarHBondContact CG2-NE2 3.49Å; H48-S524 PolarHBondContact CE1-OG 3.49Å; H48-S524 PolarHBondContact ND1-OG 3.29Å; H48-F525 HydrophobicContact CB-CE1 3.53Å; H48-F525 HydrophobicContact CB-CE2 4.09Å; H48-F525 HydrophobicContact CB-CZ 3.16Å; H48-F525 AromaticContact CD2-CE1 3.59Å; H48-F525 AromaticContact CG-CE1 3.45Å; H48-F525 VanDerWaalsContact CG-CE1 3.45Å; H48-F525 AromaticContact CG-CZ 3.51Å; H48-F525 AromaticContact ND1-CZ 3.97Å |
| 49 | Q | 87.7 | Confident | 82.2 | Confident | 101 Ų | 101 | 45.7 Ų | 45.7 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.8 | 173.6 | -64.3 | 178.3 | -2.8 | 0 | 0 | 109.9 | L19 L29 | L19-Q49 HydrophobicContact CB-CG 4.45Å; L19-Q49 WeakPolarHBondContact O-CA 3.12Å; L29-Q49 HydrophobicContact CD2-CB 4.2Å; L29-Q49 HydrophobicContact CD2-CG 3.96Å; L29-Q49 HydrophobicContact CG-CG 4.35Å |
| 50 | L | 87.5 | Confident | 82.1 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.6 | 177.9 | -165.8 | 69.5 | 0 | 0 | 0 | 108.8 | I18 L19 I20 D54 I55 K58 W60 F525 | I18-L50 HydrophobicContact CG2-CB 3.62Å; I18-L50 HydrophobicContact CG2-CD2 4.07Å; I18-L50 HydrophobicContact CG2-CG 4.49Å; L19-L50 PolarHBondContact O-N 3.31Å; I20-L50 HydrophobicContact CG1-CB 4.27Å; L50-D54 HydrophobicContact CD1-CB 3.48Å; L50-D54 VanDerWaalsContact CD1-CB 3.48Å; L50-D54 HydrophobicContact CD2-CB 4.34Å; L50-D54 HydrophobicContact CG-CB 3.68Å; L50-I55 HydrophobicContact CD2-CG2 3.99Å; L50-K58 HydrophobicContact CD1-CB 4.48Å; L50-K58 HydrophobicContact CD1-CD 3.78Å; L50-W60 HydrophobicContact CD2-CB 3.96Å; L50-W60 HydrophobicContact CD2-CD2 4.35Å; L50-W60 HydrophobicContact CD2-CG 3.7Å; L50-F525 HydrophobicContact CD1-CE2 4.21Å |
| 51 | S | 87.7 | Confident | 82.2 | Confident | 24 Ų | 24 | 48 Ų | 48 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 153 | 171.8 | 73.8 | 0 | 0 | 0 | 0 | 110.3 | E53 D54 | S51-E53 PolarHBondContact O-N 3.37Å; S51-D54 WeakPolarHBondContact O-CB 3.45Å; S51-D54 PolarHBondContact O-N 3.42Å; S51-D54 VanDerWaalsContact O-N 3.1Å; S51-D54 WeakPolarHBondContact OG-CB 3.49Å; S51-D54 PolarHBondContact OG-N 2.96Å; S51-D54 PolarHBondContact OG-OD2 3.2Å |
| 52 | I | 89.3 | Confident | 82.5 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34 | -179.3 | -171.3 | 62.6 | 0 | 0 | 0 | 112.7 | I20 I55 L75 H79 | I20-I52 HydrophobicContact CG2-CB 4.01Å; I20-I52 HydrophobicContact CG2-CD1 3.8Å; I52-I55 HydrophobicContact CD1-CD1 4.03Å; I52-I55 WeakPolarHBondContact O-CG1 3.13Å; I52-I55 WeakPolarHBondContact O-CG2 3.15Å; I52-I55 PolarHBondContact O-N 3.22Å; I52-L75 HydrophobicContact CD1-CD2 3.5Å; I52-L75 HydrophobicContact CG1-CD2 4.11Å; I52-H79 HydrophobicContact CD1-CB 4.4Å |
| 53 | E | 87.7 | Confident | 83.2 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -71.1 | -32.3 | 178 | -59.7 | -57.5 | 157.1 | 0 | 0 | 112.9 | S51 I55 F56 | S51-E53 PolarHBondContact O-N 3.37Å; E53-I55 PolarHBondContact O-N 3.26Å; E53-I55 VanDerWaalsContact O-N 3.15Å; E53-F56 PolarHBondContact O-N 3.04Å |
| 54 | D | 87.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -67.6 | -13.8 | -179.1 | -77.8 | -37.5 | 0 | 0 | 0 | 112.9 | L50 S51 F56 T57 K58 | L50-D54 HydrophobicContact CD1-CB 3.48Å; L50-D54 VanDerWaalsContact CD1-CB 3.48Å; L50-D54 HydrophobicContact CD2-CB 4.34Å; L50-D54 HydrophobicContact CG-CB 3.68Å; S51-D54 WeakPolarHBondContact O-CB 3.45Å; S51-D54 PolarHBondContact O-N 3.42Å; S51-D54 VanDerWaalsContact O-N 3.1Å; S51-D54 WeakPolarHBondContact OG-CB 3.49Å; S51-D54 PolarHBondContact OG-N 2.96Å; S51-D54 PolarHBondContact OG-OD2 3.2Å; D54-F56 PolarHBondContact O-N 3.46Å; D54-T57 PolarHBondContact O-N 2.6Å; D54-K58 HydrophobicContact CB-CD 3.83Å; D54-K58 HydrophobicContact CB-CG 4.12Å; D54-K58 WeakPolarHBondContact O-CB 3.34Å; D54-K58 PolarHBondContact O-N 3.3Å; D54-K58 WeakPolarHBondContact OD1-CE 3.36Å; D54-K58 IonicContact OD1-NZ 2.74Å; D54-K58 PolarHBondContact OD1-NZ 2.89Å; D54-K58 IonicContact OD2-NZ 2.78Å; D54-K58 PolarHBondContact OD2-NZ 3.24Å |
| 55 | I | 89.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -63.1 | -25.3 | 178.9 | 75.8 | -176 | 0 | 0 | 0 | 112.4 | I20 L50 I52 E53 W60 H79 E82 M83 | I20-I55 HydrophobicContact CD1-CG2 3.46Å; I20-I55 VanDerWaalsContact CD1-CG2 3.46Å; L50-I55 HydrophobicContact CD2-CG2 3.99Å; I52-I55 HydrophobicContact CD1-CD1 4.03Å; I52-I55 WeakPolarHBondContact O-CG1 3.13Å; I52-I55 WeakPolarHBondContact O-CG2 3.15Å; I52-I55 PolarHBondContact O-N 3.22Å; E53-I55 PolarHBondContact O-N 3.26Å; E53-I55 VanDerWaalsContact O-N 3.15Å; I55-W60 VanDerWaalsContact CA-NE1 3.3Å; I55-W60 HydrophobicContact CB-CZ2 4.4Å; I55-W60 PolarHBondContact O-NE1 3.05Å; I55-H79 HydrophobicContact CD1-CB 4.4Å; I55-E82 HydrophobicContact CD1-CB 4.18Å; I55-E82 HydrophobicContact CD1-CG 4.33Å; I55-E82 HydrophobicContact CG1-CG 4.3Å; I55-M83 HydrophobicContact CB-CE 4.45Å; I55-M83 HydrophobicContact CD1-CE 4.03Å; I55-M83 HydrophobicContact CG2-CE 4.34Å |
| 56 | F | 89.2 | Confident | 86 | Confident | 90 Ų | 90 | 46.9 Ų | 46.9 | 40% | 0.395 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -22.7 | -177.8 | -60.6 | -65.7 | 0 | 0 | 0 | 113.1 | E53 D54 N78 H79 E82 | E53-F56 PolarHBondContact O-N 3.04Å; D54-F56 PolarHBondContact O-N 3.46Å; F56-N78 HydrophobicContact CE1-CB 4.3Å; F56-N78 HydrophobicContact CZ-CB 3.88Å; F56-H79 AromaticContact CE2-CD2 3.4Å; F56-H79 WeakPolarHBondContact CE2-CD2 3.38Å; F56-H79 AromaticContact CE2-NE2 3.71Å; F56-H79 AromaticContact CZ-CD2 3.44Å; F56-H79 VanDerWaalsContact CZ-CD2 3.44Å; F56-H79 WeakPolarHBondContact CZ-CD2 3.39Å; F56-E82 HydrophobicContact CD1-CB 4.5Å; F56-E82 HydrophobicContact CD1-CG 4.21Å; F56-E82 HydrophobicContact CE1-CB 3.91Å; F56-E82 HydrophobicContact CE1-CG 4.12Å |
| 57 | T | 81.4 | Confident | 86.8 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -33.5 | -171.5 | 59 | 0 | 0 | 0 | 0 | 112.2 | D54 | D54-T57 PolarHBondContact O-N 2.6Š|
| 58 | K | 80.2 | Confident | 87.3 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 22% | 0.222 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -94.1 | 143.4 | -175.6 | -64.4 | -173.9 | -179.5 | 160.4 | 0 | 112 | L50 D54 W60 N523 | L50-K58 HydrophobicContact CD1-CB 4.48Å; L50-K58 HydrophobicContact CD1-CD 3.78Å; D54-K58 HydrophobicContact CB-CD 3.83Å; D54-K58 HydrophobicContact CB-CG 4.12Å; D54-K58 WeakPolarHBondContact O-CB 3.34Å; D54-K58 PolarHBondContact O-N 3.3Å; D54-K58 WeakPolarHBondContact OD1-CE 3.36Å; D54-K58 IonicContact OD1-NZ 2.74Å; D54-K58 PolarHBondContact OD1-NZ 2.89Å; D54-K58 IonicContact OD2-NZ 2.78Å; D54-K58 PolarHBondContact OD2-NZ 3.24Å; K58-W60 PolarHBondContact O-N 2.88Å; K58-N523 WeakPolarHBondContact CD-ND2 3.2Å; K58-N523 WeakPolarHBondContact CE-ND2 3.21Å |
| 59 | P | 80.2 | Confident | 87.8 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | trans | -81.9 | 59.6 | 179.2 | 35.2 | -37.3 | 0 | 0 | 0 | 111.9 | T62 H529 | P59-T62 PolarHBondContact O-OG1 3.44Å; P59-H529 HydrophobicContact CG-CB 3.7Å | ||
| 60 | W | 84.8 | Confident | 88 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | trans | -76 | -22.6 | -174.4 | 59.6 | -91.9 | 0 | 0 | 0 | 113.6 | I18 L50 I55 K58 T62 A64 V67 M83 F86 | I18-W60 HydrophobicContact CG1-CE3 4.09Å; L50-W60 HydrophobicContact CD2-CB 3.96Å; L50-W60 HydrophobicContact CD2-CD2 4.35Å; L50-W60 HydrophobicContact CD2-CG 3.7Å; I55-W60 VanDerWaalsContact CA-NE1 3.3Å; I55-W60 HydrophobicContact CB-CZ2 4.4Å; I55-W60 PolarHBondContact O-NE1 3.05Å; K58-W60 PolarHBondContact O-N 2.88Å; W60-T62 PolarHBondContact O-N 3.44Å; W60-A64 HydrophobicContact CE3-CB 4.01Å; W60-A64 HydrophobicContact CZ3-CB 4.36Å; W60-A64 VanDerWaalsContact O-CB 3.28Å; W60-A64 WeakPolarHBondContact O-CB 3.42Å; W60-V67 HydrophobicContact CE3-CG2 4.08Å; W60-V67 HydrophobicContact CH2-CG2 3.67Å; W60-V67 HydrophobicContact CZ3-CG2 3.23Å; W60-M83 HydrophobicContact CH2-CE 3.77Å; W60-M83 HydrophobicContact CH2-SD 4.44Å; W60-M83 HydrophobicContact CZ2-CE 3.63Å; W60-F86 HydrophobicContact CH2-CB 3.87Å; W60-F86 HydrophobicContact CH2-CD1 4.19Å; W60-F86 HydrophobicContact CH2-CD2 4.1Å; W60-F86 AromaticContact CH2-CG 3.78Å; W60-F86 HydrophobicContact CH2-CG 3.78Å; W60-F86 HydrophobicContact CZ3-CB 4.41Å; W60-F86 HydrophobicContact CZ3-CD1 4.11Å; W60-F86 AromaticContact CZ3-CD2 3.8Å; W60-F86 HydrophobicContact CZ3-CD2 3.8Å; W60-F86 HydrophobicContact CZ3-CE1 4.34Å; W60-F86 HydrophobicContact CZ3-CE2 4.05Å; W60-F86 AromaticContact CZ3-CG 3.82Å; W60-F86 HydrophobicContact CZ3-CG 3.82Å; W60-F86 HydrophobicContact CZ3-CZ 4.31Å | ||
| 61 | K | 87 | Confident | 88 | Confident | 52 Ų | 52 | 36.9 Ų | 36.9 | 23% | 0.226 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -67.9 | -32.7 | -172.4 | -65.3 | -178.5 | 174.1 | -172.7 | 0 | 114.8 | N63 A64 E82 F86 | K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 3.39Å; K61-A64 PolarHBondContact O-N 3.17Å; K61-E82 WeakPolarHBondContact CE-OE1 3.33Å; K61-E82 PolarHBondContact NZ-O 3.01Å; K61-E82 IonicContact NZ-OE1 3.71Å; K61-E82 PolarHBondContact NZ-OE1 3.46Å; K61-F86 HydrophobicContact CB-CD2 4.3Å; K61-F86 HydrophobicContact CD-CD2 4.49Å; K61-F86 HydrophobicContact CG-CD2 4.05Å |
| 62 | T | 79.9 | Confident | 87.9 | Confident | 130 Ų | 130 | 35.9 Ų | 35.9 | 80% | 0.798 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -66 | -22.6 | -168 | 44.1 | 0 | 0 | 0 | 0 | 115 | P59 W60 | P59-T62 PolarHBondContact O-OG1 3.44Å; W60-T62 PolarHBondContact O-N 3.44Å |
| 63 | N | 81.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -127.1 | 11.2 | 174.3 | -166.7 | 57.6 | 0 | 0 | 0 | 112.3 | P14 N16 K61 | P14-N63 PolarHBondContact O-ND2 3.26Å; P14-N63 VanDerWaalsContact O-ND2 3.15Å; N16-N63 WeakPolarHBondContact CB-O 3.36Å; N16-N63 PolarHBondContact N-O 3.42Å; N16-N63 PolarHBondContact ND2-ND2 2.7Å; N16-N63 PolarHBondContact OD1-ND2 3.11Å; K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 3.39Å |
| 64 | A | 90.6 | Very high | 87.6 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 12% | 0.116 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N16 I18 W60 K61 F86 | N16-A64 WeakPolarHBondContact O-CA 3.33Å; I18-A64 HydrophobicContact CD1-CB 4.38Å; I18-A64 HydrophobicContact CG1-CB 3.89Å; W60-A64 HydrophobicContact CE3-CB 4.01Å; W60-A64 HydrophobicContact CZ3-CB 4.36Å; W60-A64 VanDerWaalsContact O-CB 3.28Å; W60-A64 WeakPolarHBondContact O-CB 3.42Å; K61-A64 PolarHBondContact O-N 3.17Å; A64-F86 HydrophobicContact CB-CE2 4Å; A64-F86 HydrophobicContact CB-CZ 3.97Å; A64-F86 WeakPolarHBondContact O-CZ 3.3Å |
| 65 | I | 91.7 | Very high | 87.6 | Confident | 50 Ų | 50 | 34 Ų | 34 | 26% | 0.256 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -31.1 | 168.5 | -170.5 | 170.9 | 0 | 0 | 0 | 111 | P15 N16 V17 Y45 I92 F199 | P15-I65 HydrophobicContact CB-CB 3.71Å; P15-I65 HydrophobicContact CB-CG2 3.73Å; P15-I65 HydrophobicContact CG-CB 4.47Å; P15-I65 HydrophobicContact CG-CD1 4.47Å; P15-I65 HydrophobicContact CG-CG2 4.3Å; N16-I65 PolarHBondContact O-N 2.98Å; V17-I65 HydrophobicContact CG2-CG2 4.18Å; Y45-I65 HydrophobicContact CD1-CG2 3.99Å; Y45-I65 HydrophobicContact CE1-CD1 4.11Å; Y45-I65 HydrophobicContact CE1-CG2 3.98Å; I65-I92 HydrophobicContact CG1-CD1 4.32Å; I65-I92 PolarHBondContact O-N 3.13Å; I65-F199 HydrophobicContact CG2-CE1 3.91Å |
| 66 | G | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 161.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I18 I92 | I18-G66 PolarHBondContact N-O 2.83Å; G66-I92 CarbonylContact C-O 3.54Å; G66-I92 WeakPolarHBondContact CA-O 3.39Å |
| 67 | V | 95.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129 | 178.8 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | I18 I20 W60 L69 M83 F86 I92 V93 V94 | I18-V67 HydrophobicContact CB-CG1 4.26Å; I18-V67 HydrophobicContact CB-CG2 4.21Å; I18-V67 HydrophobicContact CG1-CG2 4.46Å; I18-V67 HydrophobicContact CG2-CG1 4.49Å; I18-V67 CarbonylContact O-C 3.4Å; I18-V67 WeakPolarHBondContact O-CA 3.4Å; I20-V67 HydrophobicContact CD1-CG1 3.6Å; I20-V67 HydrophobicContact CG1-CG1 4.02Å; W60-V67 HydrophobicContact CE3-CG2 4.08Å; W60-V67 HydrophobicContact CH2-CG2 3.67Å; W60-V67 HydrophobicContact CZ3-CG2 3.23Å; V67-L69 HydrophobicContact CB-CD1 4.07Å; V67-L69 HydrophobicContact CG1-CD1 3.52Å; V67-L69 HydrophobicContact CG1-CD2 4.49Å; V67-L69 HydrophobicContact CG1-CG 3.87Å; V67-M83 HydrophobicContact CB-SD 4.27Å; V67-M83 HydrophobicContact CG1-SD 4.01Å; V67-M83 HydrophobicContact CG2-SD 4.41Å; V67-F86 HydrophobicContact CG2-CD1 3.91Å; V67-F86 HydrophobicContact CG2-CE1 3.75Å; V67-F86 HydrophobicContact CG2-CZ 4.41Å; V67-I92 PolarHBondContact N-O 2.84Å; V67-V93 CarbonylContact O-C 2.97Å; V67-V93 WeakPolarHBondContact O-CA 3.33Å; V67-V94 PolarHBondContact O-N 3.22Å |
| 68 | L | 95.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116 | 177.5 | -82.3 | 64.5 | 0 | 0 | 0 | 108 | V17 I18 L19 I20 L32 L36 V94 F96 L194 F199 | V17-L68 HydrophobicContact CG1-CD1 3.81Å; V17-L68 HydrophobicContact CG1-CD2 4.45Å; I18-L68 PolarHBondContact O-N 3.4Å; L19-L68 WeakPolarHBondContact CA-O 3.46Å; L19-L68 HydrophobicContact CD2-CB 3.77Å; L19-L68 HydrophobicContact CD2-CD2 4.16Å; L19-L68 HydrophobicContact CD2-CG 4.49Å; I20-L68 PolarHBondContact N-O 2.45Å; L32-L68 HydrophobicContact CD2-CB 4.27Å; L36-L68 HydrophobicContact CD1-CD2 3.61Å; L36-L68 HydrophobicContact CD2-CD2 3.57Å; L36-L68 HydrophobicContact CG-CD2 4.2Å; L68-V94 CarbonylContact C-O 3.4Å; L68-V94 WeakPolarHBondContact CA-O 3.33Å; L68-V94 HydrophobicContact CD1-CB 4.36Å; L68-V94 HydrophobicContact CD1-CG2 4.22Å; L68-V94 HydrophobicContact CG-CB 4.03Å; L68-V94 HydrophobicContact CG-CG2 4.34Å; L68-F96 HydrophobicContact CB-CE2 3.94Å; L68-F96 HydrophobicContact CD2-CE2 4.06Å; L68-F96 HydrophobicContact CD2-CZ 4.38Å; L68-F96 HydrophobicContact CG-CE2 3.98Å; L68-L194 HydrophobicContact CD2-CD2 4.2Å; L68-F199 HydrophobicContact CD1-CE2 4.08Å; L68-F199 HydrophobicContact CD1-CZ 3.99Å |
| 69 | L | 93.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128 | -172.8 | -59.4 | 95.2 | 0 | 0 | 0 | 111 | I20 V67 S72 L75 M83 V93 V94 F95 F96 | I20-L69 HydrophobicContact CB-CD2 4.32Å; I20-L69 HydrophobicContact CB-CG 4.18Å; I20-L69 HydrophobicContact CD1-CD2 4.25Å; I20-L69 HydrophobicContact CD1-CG 4.49Å; I20-L69 HydrophobicContact CG2-CD2 4.47Å; I20-L69 CarbonylContact O-C 3.53Å; I20-L69 WeakPolarHBondContact O-CA 3.21Å; V67-L69 HydrophobicContact CB-CD1 4.07Å; V67-L69 HydrophobicContact CG1-CD1 3.52Å; V67-L69 HydrophobicContact CG1-CD2 4.49Å; V67-L69 HydrophobicContact CG1-CG 3.87Å; L69-S72 PolarHBondContact O-OG 2.64Å; L69-S72 VanDerWaalsContact O-OG 3.11Å; L69-L75 HydrophobicContact CD2-CD1 3.96Å; L69-L75 HydrophobicContact CD2-CD2 4.47Å; L69-M83 HydrophobicContact CD1-CG 4.45Å; L69-M83 HydrophobicContact CD1-SD 3.95Å; L69-M83 HydrophobicContact CD2-CG 4.18Å; L69-M83 HydrophobicContact CD2-SD 3.99Å; L69-V93 HydrophobicContact CD1-CG1 3.66Å; L69-V94 PolarHBondContact N-O 3.5Å; L69-F95 HydrophobicContact CB-CD1 4.14Å; L69-F95 HydrophobicContact CD1-CD1 3.97Å; L69-F95 HydrophobicContact CD1-CE1 3.77Å; L69-F95 HydrophobicContact CD1-CZ 4.41Å; L69-F95 HydrophobicContact CD2-CE1 4.16Å; L69-F95 HydrophobicContact CG-CD1 4.45Å; L69-F95 HydrophobicContact CG-CE1 4.39Å; L69-F96 WeakPolarHBondContact O-CA 3.2Å; L69-F96 WeakPolarHBondContact O-CB 3.49Å; L69-F96 WeakPolarHBondContact O-CD2 3.42Å; L69-F96 PolarHBondContact O-N 3.28Å |
| 70 | T | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 155.2 | 171.5 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | I20 D21 A22 N28 L32 S72 F96 F177 | I20-T70 PolarHBondContact O-N 2.88Å; D21-T70 WeakPolarHBondContact CA-OG1 3.06Å; D21-T70 PolarHBondContact OD1-OG1 2.86Å; A22-T70 WeakPolarHBondContact CB-O 3.47Å; A22-T70 PolarHBondContact N-O 3.26Å; A22-T70 VanDerWaalsContact N-O 3.09Å; N28-T70 HydrophobicContact CB-CG2 4.42Å; L32-T70 HydrophobicContact CB-CG2 4.3Å; L32-T70 HydrophobicContact CD2-CG2 3.54Å; T70-S72 VanDerWaalsContact C-N 3.26Å; T70-S72 PolarHBondContact O-N 3.26Å; T70-F96 HydrophobicContact CG2-CB 4.41Å; T70-F96 HydrophobicContact CG2-CD2 4.32Å; T70-F177 HydrophobicContact CG2-CD2 3.77Å; T70-F177 HydrophobicContact CG2-CE2 3.53Å |
| 71 | N | 88.1 | Confident | 89.7 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 57.3 | 40.4 | -177.4 | -56.7 | -44.5 | 0 | 0 | 0 | 112.1 | D21 A22 I23 T26 N28 E73 S74 F96 | D21-N71 PolarHBondContact OD1-ND2 3.3Å; A22-N71 HydrophobicContact CB-CB 4.26Å; A22-N71 WeakPolarHBondContact CB-O 3.21Å; I23-N71 HydrophobicContact CB-CB 4.34Å; I23-N71 HydrophobicContact CD1-CB 3.88Å; I23-N71 HydrophobicContact CG1-CB 3.84Å; T26-N71 PolarHBondContact OG1-ND2 3.36Å; N28-N71 PolarHBondContact ND2-OD1 3.21Å; N71-E73 PolarHBondContact O-N 3.38Å; N71-S74 PolarHBondContact O-N 2.89Å; N71-F96 PolarHBondContact N-O 3.3Å |
| 72 | S | 86.2 | Confident | 90 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60 | -23.2 | -171.2 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | L69 T70 S74 L75 W80 F95 F96 | L69-S72 PolarHBondContact O-OG 2.64Å; L69-S72 VanDerWaalsContact O-OG 3.11Å; T70-S72 VanDerWaalsContact C-N 3.26Å; T70-S72 PolarHBondContact O-N 3.26Å; S72-S74 PolarHBondContact O-N 3.1Å; S72-L75 WeakPolarHBondContact O-CB 3.41Å; S72-L75 VanDerWaalsContact O-CG 3.24Å; S72-L75 WeakPolarHBondContact O-CG 3.17Å; S72-L75 PolarHBondContact O-N 3.23Å; S72-L75 VanDerWaalsContact O-N 3.14Å; S72-W80 VanDerWaalsContact O-CZ2 3.3Å; S72-W80 WeakPolarHBondContact O-CZ2 3.4Å; S72-F95 WeakPolarHBondContact OG-CA 3.46Å; S72-F95 WeakPolarHBondContact OG-CB 3.33Å; S72-F96 PolarHBondContact N-O 3.26Å; S72-F96 VanDerWaalsContact N-O 3.13Å; S72-F96 PolarHBondContact OG-N 3.27Å; S72-F96 PolarHBondContact OG-O 3.25Å |
| 73 | E | 84.2 | Confident | 90.7 | Very high | 66 Ų | 66 | 30.6 Ų | 30.6 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -58.2 | -22.6 | 172.6 | 59.8 | -86.7 | -165.3 | 0 | 0 | 114.7 | N71 L75 Y97 S98 L107 | N71-E73 PolarHBondContact O-N 3.38Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-Y97 WeakPolarHBondContact OE2-CA 3.18Å; E73-S98 WeakPolarHBondContact OE1-CB 3.25Å; E73-S98 PolarHBondContact OE1-OG 3.02Å; E73-S98 PolarHBondContact OE2-N 3.12Å; E73-L107 HydrophobicContact CB-CD2 4.12Å |
| 74 | S | 85.1 | Confident | 91.1 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 43% | 0.434 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -88.1 | -0.5 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | I23 N71 S72 | I23-S74 VanDerWaalsContact CD1-OG 3.23Å; I23-S74 WeakPolarHBondContact CD1-OG 3.34Å; N71-S74 PolarHBondContact O-N 2.89Å; S72-S74 PolarHBondContact O-N 3.1Å |
| 75 | L | 89.1 | Confident | 91.1 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | trans | -74 | 131.6 | -178.6 | -63.1 | 178 | 0 | 0 | 0 | 111.3 | A22 I52 L69 S72 E73 H79 W80 F95 | A22-L75 HydrophobicContact CB-CD2 3.72Å; A22-L75 HydrophobicContact CB-CG 4.34Å; I52-L75 HydrophobicContact CD1-CD2 3.5Å; I52-L75 HydrophobicContact CG1-CD2 4.11Å; L69-L75 HydrophobicContact CD2-CD1 3.96Å; L69-L75 HydrophobicContact CD2-CD2 4.47Å; S72-L75 WeakPolarHBondContact O-CB 3.41Å; S72-L75 VanDerWaalsContact O-CG 3.24Å; S72-L75 WeakPolarHBondContact O-CG 3.17Å; S72-L75 PolarHBondContact O-N 3.23Å; S72-L75 VanDerWaalsContact O-N 3.14Å; E73-L75 VanDerWaalsContact C-N 3.33Å; L75-H79 HydrophobicContact CB-CB 4.05Å; L75-H79 HydrophobicContact CD2-CB 3.88Å; L75-H79 HydrophobicContact CG-CB 4.43Å; L75-W80 HydrophobicContact CB-CD2 4.29Å; L75-W80 HydrophobicContact CB-CZ2 3.92Å; L75-W80 HydrophobicContact CD1-CD2 4.38Å; L75-W80 HydrophobicContact CD1-CH2 4.08Å; L75-W80 HydrophobicContact CD1-CZ2 3.94Å; L75-W80 HydrophobicContact CD1-CZ3 4.38Å; L75-W80 HydrophobicContact CG-CZ2 4.43Å; L75-W80 PolarHBondContact O-NE1 3.14Å; L75-F95 HydrophobicContact CD1-CD1 3.98Å; L75-F95 HydrophobicContact CD1-CE1 3.7Å | ||
| 76 | N | 90.3 | Very high | 91.1 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | trans | -83.7 | 172.5 | 171.8 | 69.7 | 40.8 | 0 | 0 | 0 | 111.5 | N78 H79 W80 | N76-N78 VanDerWaalsContact C-N 3.26Å; N76-N78 PolarHBondContact O-N 2.82Å; N76-N78 WeakPolarHBondContact OD1-CA 3.14Å; N76-N78 WeakPolarHBondContact OD1-CB 3.14Å; N76-N78 PolarHBondContact OD1-N 2.9Å; N76-H79 PolarHBondContact N-ND1 3.18Å; N76-H79 PolarHBondContact ND2-CE1 3.18Å; N76-H79 PolarHBondContact ND2-ND1 2.84Å; N76-H79 PolarHBondContact ND2-NE2 3.02Å; N76-H79 WeakPolarHBondContact O-CB 3.04Å; N76-H79 PolarHBondContact O-N 2.99Å; N76-H79 VanDerWaalsContact O-N 3.11Å; N76-H79 PolarHBondContact OD1-N 3.27Å; N76-H79 PolarHBondContact OD1-ND1 3.43Å; N76-W80 PolarHBondContact O-N 3.06Å; N76-W80 VanDerWaalsContact O-N 3.14Å | ||
| 77 | R | 89.8 | Confident | 90.9 | Very high | 123 Ų | 123 | 31.7 Ų | 31.7 | 46% | 0.464 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -57.3 | -36.2 | -177.3 | -166.6 | 173.7 | -167.4 | 164.9 | 7.3 | 113.5 | W80 Q81 A109 | R77-W80 PolarHBondContact O-N 3.02Å; R77-Q81 WeakPolarHBondContact O-CB 3.18Å; R77-Q81 VanDerWaalsContact O-CG 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.24Å; R77-Q81 PolarHBondContact O-N 3.09Å; R77-A109 HydrophobicContact CB-CB 4.1Å |
| 78 | N | 92.4 | Very high | 90.5 | Very high | 108 Ų | 108 | 37.5 Ų | 37.5 | 58% | 0.578 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67.4 | -40.3 | 179.4 | -65.6 | -20 | 0 | 0 | 0 | 111.2 | F56 N76 Q81 E82 | F56-N78 HydrophobicContact CE1-CB 4.3Å; F56-N78 HydrophobicContact CZ-CB 3.88Å; N76-N78 VanDerWaalsContact C-N 3.26Å; N76-N78 PolarHBondContact O-N 2.82Å; N76-N78 WeakPolarHBondContact OD1-CA 3.14Å; N76-N78 WeakPolarHBondContact OD1-CB 3.14Å; N76-N78 PolarHBondContact OD1-N 2.9Å; N78-Q81 PolarHBondContact O-N 3.38Å; N78-E82 PolarHBondContact O-N 3.14Å |
| 79 | H | 93.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.6 | -55.1 | 148.3 | 0 | 0 | 0 | 111.2 | I52 I55 F56 L75 N76 Q81 E82 M83 | I52-H79 HydrophobicContact CD1-CB 4.4Å; I55-H79 HydrophobicContact CD1-CB 4.4Å; F56-H79 AromaticContact CE2-CD2 3.4Å; F56-H79 WeakPolarHBondContact CE2-CD2 3.38Å; F56-H79 AromaticContact CE2-NE2 3.71Å; F56-H79 AromaticContact CZ-CD2 3.44Å; F56-H79 VanDerWaalsContact CZ-CD2 3.44Å; F56-H79 WeakPolarHBondContact CZ-CD2 3.39Å; L75-H79 HydrophobicContact CB-CB 4.05Å; L75-H79 HydrophobicContact CD2-CB 3.88Å; L75-H79 HydrophobicContact CG-CB 4.43Å; N76-H79 PolarHBondContact N-ND1 3.18Å; N76-H79 PolarHBondContact ND2-CE1 3.18Å; N76-H79 PolarHBondContact ND2-ND1 2.84Å; N76-H79 PolarHBondContact ND2-NE2 3.02Å; N76-H79 WeakPolarHBondContact O-CB 3.04Å; N76-H79 PolarHBondContact O-N 2.99Å; N76-H79 VanDerWaalsContact O-N 3.11Å; N76-H79 PolarHBondContact OD1-N 3.27Å; N76-H79 PolarHBondContact OD1-ND1 3.43Å; H79-Q81 VanDerWaalsContact C-N 3.35Å; H79-Q81 PolarHBondContact O-N 3.3Å; H79-E82 PolarHBondContact O-N 2.88Å; H79-M83 WeakPolarHBondContact O-CG 3.44Å; H79-M83 PolarHBondContact O-N 3.4Å |
| 80 | W | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 177.7 | -70.4 | 113.8 | 0 | 0 | 0 | 112.3 | S72 L75 N76 R77 E82 M83 Y84 F95 L107 A109 C110 V111 F112 F174 | S72-W80 VanDerWaalsContact O-CZ2 3.3Å; S72-W80 WeakPolarHBondContact O-CZ2 3.4Å; L75-W80 HydrophobicContact CB-CD2 4.29Å; L75-W80 HydrophobicContact CB-CZ2 3.92Å; L75-W80 HydrophobicContact CD1-CD2 4.38Å; L75-W80 HydrophobicContact CD1-CH2 4.08Å; L75-W80 HydrophobicContact CD1-CZ2 3.94Å; L75-W80 HydrophobicContact CD1-CZ3 4.38Å; L75-W80 HydrophobicContact CG-CZ2 4.43Å; L75-W80 PolarHBondContact O-NE1 3.14Å; N76-W80 PolarHBondContact O-N 3.06Å; N76-W80 VanDerWaalsContact O-N 3.14Å; R77-W80 PolarHBondContact O-N 3.02Å; W80-E82 VanDerWaalsContact C-N 3.32Å; W80-E82 PolarHBondContact O-N 3.48Å; W80-M83 PolarHBondContact O-N 2.9Å; W80-Y84 WeakPolarHBondContact O-CB 3.47Å; W80-Y84 PolarHBondContact O-N 3.25Å; W80-F95 HydrophobicContact CE3-CD1 4.46Å; W80-F95 AromaticContact CE3-CE1 3.75Å; W80-F95 HydrophobicContact CE3-CE1 3.75Å; W80-F95 HydrophobicContact CE3-CE2 4.24Å; W80-F95 AromaticContact CE3-CZ 3.62Å; W80-F95 HydrophobicContact CE3-CZ 3.62Å; W80-F95 AromaticContact CH2-CD1 3.7Å; W80-F95 HydrophobicContact CH2-CD1 3.7Å; W80-F95 AromaticContact CH2-CE1 3.81Å; W80-F95 HydrophobicContact CH2-CE1 3.81Å; W80-F95 HydrophobicContact CH2-CG 4.06Å; W80-F95 HydrophobicContact CH2-CZ 4.26Å; W80-F95 AromaticContact CZ3-CD1 3.5Å; W80-F95 HydrophobicContact CZ3-CD1 3.5Å; W80-F95 AromaticContact CZ3-CD2 3.89Å; W80-F95 HydrophobicContact CZ3-CD2 3.89Å; W80-F95 AromaticContact CZ3-CE1 3.2Å; W80-F95 HydrophobicContact CZ3-CE1 3.2Å; W80-F95 AromaticContact CZ3-CE2 3.6Å; W80-F95 HydrophobicContact CZ3-CE2 3.6Å; W80-F95 AromaticContact CZ3-CG 3.83Å; W80-F95 HydrophobicContact CZ3-CG 3.83Å; W80-F95 AromaticContact CZ3-CZ 3.25Å; W80-F95 HydrophobicContact CZ3-CZ 3.25Å; W80-L107 HydrophobicContact CH2-CD1 4.22Å; W80-L107 HydrophobicContact CZ2-CD1 4.18Å; W80-L107 HydrophobicContact CZ2-CD2 4.42Å; W80-A109 WeakPolarHBondContact CB-O 3.43Å; W80-C110 HydrophobicContact CD2-CB 4.14Å; W80-C110 HydrophobicContact CE3-CB 4.33Å; W80-C110 HydrophobicContact CZ2-CB 4.31Å; W80-C110 HydrophobicContact CZ3-CB 4.48Å; W80-V111 HydrophobicContact CB-CG1 4.16Å; W80-V111 HydrophobicContact CB-CG2 4.14Å; W80-F112 HydrophobicContact CE3-CD2 4.01Å; W80-F112 HydrophobicContact CE3-CE2 4.02Å; W80-F112 HydrophobicContact CZ3-CD2 4.32Å; W80-F112 HydrophobicContact CZ3-CE2 4.45Å; W80-F174 HydrophobicContact CH2-CE1 4.13Å; W80-F174 HydrophobicContact CZ3-CE1 4.07Å; W80-F174 HydrophobicContact CZ3-CZ 4.44Å |
| 81 | Q | 91.8 | Very high | 89.9 | Confident | 50 Ų | 50 | 45.4 Ų | 45.4 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.8 | -76.4 | -68 | -7.3 | 0 | 0 | 112.3 | R77 N78 H79 Y84 K85 V111 | R77-Q81 WeakPolarHBondContact O-CB 3.18Å; R77-Q81 VanDerWaalsContact O-CG 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.24Å; R77-Q81 PolarHBondContact O-N 3.09Å; N78-Q81 PolarHBondContact O-N 3.38Å; H79-Q81 VanDerWaalsContact C-N 3.35Å; H79-Q81 PolarHBondContact O-N 3.3Å; Q81-Y84 WeakPolarHBondContact O-CB 3.42Å; Q81-Y84 PolarHBondContact O-N 3.3Å; Q81-K85 WeakPolarHBondContact O-CG 3.23Å; Q81-K85 PolarHBondContact O-N 2.86Å; Q81-V111 HydrophobicContact CG-CG1 4.02Å |
| 82 | E | 93.8 | Very high | 90.2 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.8 | -161.5 | 58 | -153.3 | 0 | 0 | 112.6 | I55 F56 K61 N78 H79 W80 Y84 K85 F86 | I55-E82 HydrophobicContact CD1-CB 4.18Å; I55-E82 HydrophobicContact CD1-CG 4.33Å; I55-E82 HydrophobicContact CG1-CG 4.3Å; F56-E82 HydrophobicContact CD1-CB 4.5Å; F56-E82 HydrophobicContact CD1-CG 4.21Å; F56-E82 HydrophobicContact CE1-CB 3.91Å; F56-E82 HydrophobicContact CE1-CG 4.12Å; K61-E82 WeakPolarHBondContact CE-OE1 3.33Å; K61-E82 PolarHBondContact NZ-O 3.01Å; K61-E82 IonicContact NZ-OE1 3.71Å; K61-E82 PolarHBondContact NZ-OE1 3.46Å; N78-E82 PolarHBondContact O-N 3.14Å; H79-E82 PolarHBondContact O-N 2.88Å; W80-E82 VanDerWaalsContact C-N 3.32Å; W80-E82 PolarHBondContact O-N 3.48Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 IonicContact OE2-NZ 3.94Å; E82-K85 PolarHBondContact OE2-NZ 3.44Å; E82-F86 PolarHBondContact O-N 3.31Å |
| 83 | M | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 171.6 | -66.8 | -54.7 | 105.7 | 0 | 0 | 111.8 | I55 W60 V67 L69 H79 W80 K85 F86 Y87 V93 F95 F112 | I55-M83 HydrophobicContact CB-CE 4.45Å; I55-M83 HydrophobicContact CD1-CE 4.03Å; I55-M83 HydrophobicContact CG2-CE 4.34Å; W60-M83 HydrophobicContact CH2-CE 3.77Å; W60-M83 HydrophobicContact CH2-SD 4.44Å; W60-M83 HydrophobicContact CZ2-CE 3.63Å; V67-M83 HydrophobicContact CB-SD 4.27Å; V67-M83 HydrophobicContact CG1-SD 4.01Å; V67-M83 HydrophobicContact CG2-SD 4.41Å; L69-M83 HydrophobicContact CD1-CG 4.45Å; L69-M83 HydrophobicContact CD1-SD 3.95Å; L69-M83 HydrophobicContact CD2-CG 4.18Å; L69-M83 HydrophobicContact CD2-SD 3.99Å; H79-M83 WeakPolarHBondContact O-CG 3.44Å; H79-M83 PolarHBondContact O-N 3.4Å; W80-M83 PolarHBondContact O-N 2.9Å; M83-K85 PolarHBondContact O-N 2.81Å; M83-F86 PolarHBondContact O-N 2.92Å; M83-Y87 WeakPolarHBondContact O-CB 3.3Å; M83-Y87 PolarHBondContact O-N 2.85Å; M83-V93 HydrophobicContact CB-CG1 4.25Å; M83-V93 HydrophobicContact CG-CG1 4.38Å; M83-V93 HydrophobicContact SD-CG1 4.27Å; M83-F95 HydrophobicContact CB-CZ 3.88Å; M83-F95 HydrophobicContact CG-CE1 4.13Å; M83-F95 HydrophobicContact CG-CZ 3.98Å; M83-F112 HydrophobicContact CB-CE2 4.44Å; M83-F112 HydrophobicContact CB-CZ 4.44Å |
| 84 | Y | 90.4 | Very high | 91 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.7 | -170.2 | -101.1 | 0 | 0 | 0 | 112.7 | W80 Q81 E82 Y87 R88 V111 F112 N140 N142 E144 | W80-Y84 WeakPolarHBondContact O-CB 3.47Å; W80-Y84 PolarHBondContact O-N 3.25Å; Q81-Y84 WeakPolarHBondContact O-CB 3.42Å; Q81-Y84 PolarHBondContact O-N 3.3Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; Y84-Y87 HydrophobicContact CD2-CD1 4.33Å; Y84-Y87 HydrophobicContact CE2-CD1 4.34Å; Y84-Y87 HydrophobicContact CE2-CE1 4.47Å; Y84-Y87 WeakPolarHBondContact O-CB 3.37Å; Y84-Y87 PolarHBondContact O-N 2.92Å; Y84-R88 HydrophobicContact CD1-CG 4.16Å; Y84-R88 HydrophobicContact CE1-CG 3.83Å; Y84-R88 WeakPolarHBondContact O-CB 3.2Å; Y84-R88 WeakPolarHBondContact O-CG 3.2Å; Y84-R88 PolarHBondContact O-N 3.28Å; Y84-V111 HydrophobicContact CD2-CG2 3.73Å; Y84-V111 HydrophobicContact CG-CG2 3.78Å; Y84-F112 AromaticContact CD2-CD1 3.78Å; Y84-F112 HydrophobicContact CD2-CD1 3.78Å; Y84-F112 AromaticContact CD2-CE1 3.59Å; Y84-F112 HydrophobicContact CD2-CE1 3.59Å; Y84-F112 HydrophobicContact CD2-CE2 4.46Å; Y84-F112 HydrophobicContact CD2-CG 4.33Å; Y84-F112 AromaticContact CD2-CZ 3.96Å; Y84-F112 HydrophobicContact CD2-CZ 3.96Å; Y84-F112 HydrophobicContact CE2-CD1 4.14Å; Y84-F112 HydrophobicContact CE2-CE1 4.26Å; Y84-N140 PolarHBondContact OH-ND2 3.17Å; Y84-N142 WeakPolarHBondContact CE1-ND2 3.33Å; Y84-E144 VanDerWaalsContact OH-CD 3.31Å; Y84-E144 PolarHBondContact OH-OE2 2.87Å |
| 85 | K | 90.7 | Very high | 91.3 | Very high | 102 Ų | 102 | 39.4 Ų | 39.4 | 44% | 0.443 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 173.5 | -67.9 | 171.2 | -163.6 | 163.8 | 0 | 111.2 | Q81 E82 M83 Y87 R88 D89 | Q81-K85 WeakPolarHBondContact O-CG 3.23Å; Q81-K85 PolarHBondContact O-N 2.86Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 IonicContact OE2-NZ 3.94Å; E82-K85 PolarHBondContact OE2-NZ 3.44Å; M83-K85 PolarHBondContact O-N 2.81Å; K85-Y87 PolarHBondContact O-N 2.86Å; K85-R88 WeakPolarHBondContact O-CB 3.48Å; K85-R88 PolarHBondContact O-N 3.11Å; K85-R88 VanDerWaalsContact O-N 3.14Å; K85-D89 VanDerWaalsContact O-CG 3.3Å; K85-D89 PolarHBondContact O-N 3.43Å |
| 86 | F | 92.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 179.7 | 177.3 | -108.6 | 0 | 0 | 0 | 112.4 | W60 K61 A64 V67 E82 M83 R88 D89 G91 V93 | W60-F86 HydrophobicContact CH2-CB 3.87Å; W60-F86 HydrophobicContact CH2-CD1 4.19Å; W60-F86 HydrophobicContact CH2-CD2 4.1Å; W60-F86 AromaticContact CH2-CG 3.78Å; W60-F86 HydrophobicContact CH2-CG 3.78Å; W60-F86 HydrophobicContact CZ3-CB 4.41Å; W60-F86 HydrophobicContact CZ3-CD1 4.11Å; W60-F86 AromaticContact CZ3-CD2 3.8Å; W60-F86 HydrophobicContact CZ3-CD2 3.8Å; W60-F86 HydrophobicContact CZ3-CE1 4.34Å; W60-F86 HydrophobicContact CZ3-CE2 4.05Å; W60-F86 AromaticContact CZ3-CG 3.82Å; W60-F86 HydrophobicContact CZ3-CG 3.82Å; W60-F86 HydrophobicContact CZ3-CZ 4.31Å; K61-F86 HydrophobicContact CB-CD2 4.3Å; K61-F86 HydrophobicContact CD-CD2 4.49Å; K61-F86 HydrophobicContact CG-CD2 4.05Å; A64-F86 HydrophobicContact CB-CE2 4Å; A64-F86 HydrophobicContact CB-CZ 3.97Å; A64-F86 WeakPolarHBondContact O-CZ 3.3Å; V67-F86 HydrophobicContact CG2-CD1 3.91Å; V67-F86 HydrophobicContact CG2-CE1 3.75Å; V67-F86 HydrophobicContact CG2-CZ 4.41Å; E82-F86 PolarHBondContact O-N 3.31Å; M83-F86 PolarHBondContact O-N 2.92Å; F86-R88 VanDerWaalsContact C-N 3.35Å; F86-R88 PolarHBondContact O-N 2.98Å; F86-D89 PolarHBondContact O-N 3.1Å; F86-G91 WeakPolarHBondContact O-CA 3.01Å; F86-G91 PolarHBondContact O-N 3.41Å; F86-V93 HydrophobicContact CD1-CG2 3.76Å; F86-V93 HydrophobicContact CE1-CG2 4.33Å |
| 87 | Y | 89.6 | Confident | 91.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 170.9 | 162.6 | -98.8 | 0 | 0 | 0 | 112 | M83 Y84 K85 D89 G90 F112 V165 G170 V172 | M83-Y87 WeakPolarHBondContact O-CB 3.3Å; M83-Y87 PolarHBondContact O-N 2.85Å; Y84-Y87 HydrophobicContact CD2-CD1 4.33Å; Y84-Y87 HydrophobicContact CE2-CD1 4.34Å; Y84-Y87 HydrophobicContact CE2-CE1 4.47Å; Y84-Y87 WeakPolarHBondContact O-CB 3.37Å; Y84-Y87 PolarHBondContact O-N 2.92Å; K85-Y87 PolarHBondContact O-N 2.86Å; Y87-D89 PolarHBondContact O-N 3.09Å; Y87-G90 PolarHBondContact O-N 3.15Å; Y87-F112 AromaticContact CD1-CE1 3.77Å; Y87-F112 HydrophobicContact CD1-CE1 3.77Å; Y87-F112 HydrophobicContact CD2-CE1 4.32Å; Y87-F112 HydrophobicContact CE1-CE1 4.32Å; Y87-F112 AromaticContact CG-CE1 3.76Å; Y87-F112 HydrophobicContact CG-CE1 3.76Å; Y87-V165 HydrophobicContact CE1-CB 4.49Å; Y87-V165 HydrophobicContact CE1-CG2 4.12Å; Y87-V165 WeakPolarHBondContact OH-CB 3.46Å; Y87-V165 WeakPolarHBondContact OH-CG2 3.42Å; Y87-V165 PolarHBondContact OH-N 3.47Å; Y87-V165 VanDerWaalsContact OH-N 3.09Å; Y87-G170 VanDerWaalsContact CE2-O 3.25Å; Y87-G170 WeakPolarHBondContact CE2-O 2.93Å; Y87-G170 WeakPolarHBondContact O-CA 3.44Å; Y87-V172 HydrophobicContact CD2-CB 3.96Å; Y87-V172 HydrophobicContact CD2-CG1 4.39Å; Y87-V172 HydrophobicContact CE2-CB 4.04Å; Y87-V172 HydrophobicContact CE2-CG1 4Å |
| 88 | R | 87.3 | Confident | 90.8 | Very high | 121 Ų | 121 | 32.3 Ų | 32.3 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.8 | -24.1 | 177.4 | -80.9 | -168.6 | 60.8 | 161.5 | 14.5 | 114.2 | Y84 K85 F86 G90 E144 C168 | Y84-R88 HydrophobicContact CD1-CG 4.16Å; Y84-R88 HydrophobicContact CE1-CG 3.83Å; Y84-R88 WeakPolarHBondContact O-CB 3.2Å; Y84-R88 WeakPolarHBondContact O-CG 3.2Å; Y84-R88 PolarHBondContact O-N 3.28Å; K85-R88 WeakPolarHBondContact O-CB 3.48Å; K85-R88 PolarHBondContact O-N 3.11Å; K85-R88 VanDerWaalsContact O-N 3.14Å; F86-R88 VanDerWaalsContact C-N 3.35Å; F86-R88 PolarHBondContact O-N 2.98Å; R88-G90 PolarHBondContact O-N 2.83Å; R88-E144 IonicContact CZ-OE1 3.17Å; R88-E144 IonicContact CZ-OE2 3.96Å; R88-E144 IonicContact NE-OE1 3.96Å; R88-E144 IonicContact NH1-OE1 2.67Å; R88-E144 PolarHBondContact NH1-OE1 2.79Å; R88-E144 IonicContact NH1-OE2 3.8Å; R88-E144 IonicContact NH2-OE1 3.49Å; R88-E144 PolarHBondContact NH2-OE1 3.2Å; R88-C168 WeakPolarHBondContact O-CB 3.46Å |
| 89 | D | 88.3 | Confident | 89.9 | Confident | 128 Ų | 128 | 28.5 Ų | 28.5 | 68% | 0.684 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 8.2 | 175 | -63.2 | -23.5 | 0 | 0 | 0 | 112.5 | K85 F86 Y87 | K85-D89 VanDerWaalsContact O-CG 3.3Å; K85-D89 PolarHBondContact O-N 3.43Å; F86-D89 PolarHBondContact O-N 3.1Å; Y87-D89 PolarHBondContact O-N 3.09Å |
| 90 | G | 88.7 | Confident | 88.7 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 34% | 0.34 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | 6.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y87 R88 C168 | Y87-G90 PolarHBondContact O-N 3.15Å; R88-G90 PolarHBondContact O-N 2.83Å; G90-C168 WeakPolarHBondContact CA-O 3.19Å |
| 91 | G | 92.1 | Very high | 87.5 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | trans | -75.8 | 156.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F86 G170 I171 | F86-G91 WeakPolarHBondContact O-CA 3.01Å; F86-G91 PolarHBondContact O-N 3.41Å; G91-G170 WeakPolarHBondContact O-CA 3.41Å; G91-I171 PolarHBondContact O-N 3.42Å; G91-I171 VanDerWaalsContact O-N 3.12Å | ||
| 92 | I | 93.4 | Very high | 86.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.1 | 172.8 | -56.9 | 166.2 | 0 | 0 | 0 | 109.4 | I65 G66 V67 V94 I171 V197 F199 | I65-I92 HydrophobicContact CG1-CD1 4.32Å; I65-I92 PolarHBondContact O-N 3.13Å; G66-I92 CarbonylContact C-O 3.54Å; G66-I92 WeakPolarHBondContact CA-O 3.39Å; V67-I92 PolarHBondContact N-O 2.84Å; I92-V94 HydrophobicContact CG2-CG2 4.18Å; I92-I171 CarbonylContact C-O 3.58Å; I92-I171 VanDerWaalsContact CA-O 3.28Å; I92-I171 WeakPolarHBondContact CA-O 3.33Å; I92-I171 HydrophobicContact CG1-CB 4.36Å; I92-I171 HydrophobicContact CG2-CB 4.48Å; I92-V197 VanDerWaalsContact CD1-O 3.26Å; I92-V197 WeakPolarHBondContact CD1-O 3.23Å; I92-V197 HydrophobicContact CG2-CB 4Å; I92-V197 HydrophobicContact CG2-CG2 3.89Å; I92-F199 HydrophobicContact CB-CE2 4.34Å; I92-F199 HydrophobicContact CB-CZ 4.25Å; I92-F199 HydrophobicContact CD1-CE1 4.36Å; I92-F199 HydrophobicContact CD1-CE2 4.24Å; I92-F199 HydrophobicContact CD1-CZ 4.16Å; I92-F199 HydrophobicContact CG2-CE2 3.71Å; I92-F199 HydrophobicContact CG2-CZ 4.1Å |
| 93 | V | 94.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.8 | 176.9 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | V67 L69 M83 F86 F95 I171 V172 A173 | V67-V93 CarbonylContact O-C 2.97Å; V67-V93 WeakPolarHBondContact O-CA 3.33Å; L69-V93 HydrophobicContact CD1-CG1 3.66Å; M83-V93 HydrophobicContact CB-CG1 4.25Å; M83-V93 HydrophobicContact CG-CG1 4.38Å; M83-V93 HydrophobicContact SD-CG1 4.27Å; F86-V93 HydrophobicContact CD1-CG2 3.76Å; F86-V93 HydrophobicContact CE1-CG2 4.33Å; V93-F95 HydrophobicContact CB-CE2 4.18Å; V93-F95 HydrophobicContact CG1-CD2 4.03Å; V93-F95 HydrophobicContact CG1-CE1 4.01Å; V93-F95 HydrophobicContact CG1-CE2 3.36Å; V93-F95 HydrophobicContact CG1-CZ 3.34Å; V93-I171 PolarHBondContact N-O 3.12Å; V93-V172 HydrophobicContact CB-CG2 4.4Å; V93-V172 CarbonylContact O-C 3.51Å; V93-V172 VanDerWaalsContact O-CA 3.24Å; V93-V172 WeakPolarHBondContact O-CA 3.4Å; V93-A173 PolarHBondContact O-N 2.78Å |
| 94 | V | 93.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.5 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | V67 L68 L69 I92 F96 A173 L193 V197 | V67-V94 PolarHBondContact O-N 3.22Å; L68-V94 CarbonylContact C-O 3.4Å; L68-V94 WeakPolarHBondContact CA-O 3.33Å; L68-V94 HydrophobicContact CD1-CB 4.36Å; L68-V94 HydrophobicContact CD1-CG2 4.22Å; L68-V94 HydrophobicContact CG-CB 4.03Å; L68-V94 HydrophobicContact CG-CG2 4.34Å; L69-V94 PolarHBondContact N-O 3.5Å; I92-V94 HydrophobicContact CG2-CG2 4.18Å; V94-F96 HydrophobicContact CG1-CE1 4.05Å; V94-F96 HydrophobicContact CG1-CE2 3.94Å; V94-F96 HydrophobicContact CG1-CZ 3.68Å; V94-A173 CarbonylContact C-O 3.46Å; V94-A173 WeakPolarHBondContact CA-O 3.22Å; V94-A173 HydrophobicContact CG1-CB 4.46Å; V94-A173 HydrophobicContact CG2-CB 4.37Å; V94-L193 HydrophobicContact CG1-CD2 4.06Å; V94-V197 HydrophobicContact CG2-CG2 4.27Å |
| 95 | F | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115 | 178.6 | -65 | -76.6 | 0 | 0 | 0 | 110.3 | L69 S72 L75 W80 M83 V93 F112 V172 A173 F174 S175 | L69-F95 HydrophobicContact CB-CD1 4.14Å; L69-F95 HydrophobicContact CD1-CD1 3.97Å; L69-F95 HydrophobicContact CD1-CE1 3.77Å; L69-F95 HydrophobicContact CD1-CZ 4.41Å; L69-F95 HydrophobicContact CD2-CE1 4.16Å; L69-F95 HydrophobicContact CG-CD1 4.45Å; L69-F95 HydrophobicContact CG-CE1 4.39Å; S72-F95 WeakPolarHBondContact OG-CA 3.46Å; S72-F95 WeakPolarHBondContact OG-CB 3.33Å; L75-F95 HydrophobicContact CD1-CD1 3.98Å; L75-F95 HydrophobicContact CD1-CE1 3.7Å; W80-F95 HydrophobicContact CE3-CD1 4.46Å; W80-F95 AromaticContact CE3-CE1 3.75Å; W80-F95 HydrophobicContact CE3-CE1 3.75Å; W80-F95 HydrophobicContact CE3-CE2 4.24Å; W80-F95 AromaticContact CE3-CZ 3.62Å; W80-F95 HydrophobicContact CE3-CZ 3.62Å; W80-F95 AromaticContact CH2-CD1 3.7Å; W80-F95 HydrophobicContact CH2-CD1 3.7Å; W80-F95 AromaticContact CH2-CE1 3.81Å; W80-F95 HydrophobicContact CH2-CE1 3.81Å; W80-F95 HydrophobicContact CH2-CG 4.06Å; W80-F95 HydrophobicContact CH2-CZ 4.26Å; W80-F95 AromaticContact CZ3-CD1 3.5Å; W80-F95 HydrophobicContact CZ3-CD1 3.5Å; W80-F95 AromaticContact CZ3-CD2 3.89Å; W80-F95 HydrophobicContact CZ3-CD2 3.89Å; W80-F95 AromaticContact CZ3-CE1 3.2Å; W80-F95 HydrophobicContact CZ3-CE1 3.2Å; W80-F95 AromaticContact CZ3-CE2 3.6Å; W80-F95 HydrophobicContact CZ3-CE2 3.6Å; W80-F95 AromaticContact CZ3-CG 3.83Å; W80-F95 HydrophobicContact CZ3-CG 3.83Å; W80-F95 AromaticContact CZ3-CZ 3.25Å; W80-F95 HydrophobicContact CZ3-CZ 3.25Å; M83-F95 HydrophobicContact CB-CZ 3.88Å; M83-F95 HydrophobicContact CG-CE1 4.13Å; M83-F95 HydrophobicContact CG-CZ 3.98Å; V93-F95 HydrophobicContact CB-CE2 4.18Å; V93-F95 HydrophobicContact CG1-CD2 4.03Å; V93-F95 HydrophobicContact CG1-CE1 4.01Å; V93-F95 HydrophobicContact CG1-CE2 3.36Å; V93-F95 HydrophobicContact CG1-CZ 3.34Å; F95-F112 HydrophobicContact CE2-CD2 4.2Å; F95-F112 AromaticContact CE2-CE2 3.71Å; F95-F112 HydrophobicContact CE2-CE2 3.71Å; F95-F112 HydrophobicContact CE2-CZ 4.19Å; F95-F112 AromaticContact CZ-CE2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 3.8Å; F95-F112 HydrophobicContact CZ-CZ 4.41Å; F95-V172 HydrophobicContact CD2-CG2 3.8Å; F95-V172 HydrophobicContact CE2-CG2 3.56Å; F95-A173 PolarHBondContact N-O 3.37Å; F95-F174 HydrophobicContact CB-CD1 3.6Å; F95-F174 HydrophobicContact CB-CE1 3.83Å; F95-F174 HydrophobicContact CB-CG 4.35Å; F95-F174 HydrophobicContact CD2-CD1 4.04Å; F95-F174 AromaticContact CD2-CE1 3.52Å; F95-F174 HydrophobicContact CD2-CE1 3.52Å; F95-F174 HydrophobicContact CD2-CE2 4.3Å; F95-F174 AromaticContact CD2-CZ 3.67Å; F95-F174 HydrophobicContact CD2-CZ 3.67Å; F95-F174 HydrophobicContact CE2-CE1 4.3Å; F95-F174 HydrophobicContact CE2-CZ 4.14Å; F95-F174 HydrophobicContact CG-CD1 4.14Å; F95-F174 AromaticContact CG-CE1 3.84Å; F95-F174 HydrophobicContact CG-CE1 3.84Å; F95-F174 HydrophobicContact CG-CZ 4.44Å; F95-F174 WeakPolarHBondContact O-CA 3.06Å; F95-S175 PolarHBondContact O-N 2.99Å |
| 96 | F | 90.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.6 | 170.5 | -60 | -73.8 | 0 | 0 | 0 | 110.4 | L32 L68 L69 T70 N71 S72 V94 S175 F177 C180 L190 L193 | L32-F96 HydrophobicContact CD1-CD2 4.33Å; L32-F96 HydrophobicContact CD1-CE2 3.77Å; L32-F96 HydrophobicContact CD1-CZ 3.98Å; L32-F96 HydrophobicContact CD2-CD2 3.87Å; L32-F96 HydrophobicContact CD2-CE2 3.74Å; L32-F96 HydrophobicContact CG-CE2 4.44Å; L68-F96 HydrophobicContact CB-CE2 3.94Å; L68-F96 HydrophobicContact CD2-CE2 4.06Å; L68-F96 HydrophobicContact CD2-CZ 4.38Å; L68-F96 HydrophobicContact CG-CE2 3.98Å; L69-F96 WeakPolarHBondContact O-CA 3.2Å; L69-F96 WeakPolarHBondContact O-CB 3.49Å; L69-F96 WeakPolarHBondContact O-CD2 3.42Å; L69-F96 PolarHBondContact O-N 3.28Å; T70-F96 HydrophobicContact CG2-CB 4.41Å; T70-F96 HydrophobicContact CG2-CD2 4.32Å; N71-F96 PolarHBondContact N-O 3.3Å; S72-F96 PolarHBondContact N-O 3.26Å; S72-F96 VanDerWaalsContact N-O 3.13Å; S72-F96 PolarHBondContact OG-N 3.27Å; S72-F96 PolarHBondContact OG-O 3.25Å; V94-F96 HydrophobicContact CG1-CE1 4.05Å; V94-F96 HydrophobicContact CG1-CE2 3.94Å; V94-F96 HydrophobicContact CG1-CZ 3.68Å; F96-S175 VanDerWaalsContact CA-O 3.27Å; F96-S175 WeakPolarHBondContact CA-O 3.41Å; F96-F177 HydrophobicContact CB-CB 4.04Å; F96-F177 HydrophobicContact CB-CD2 3.92Å; F96-F177 HydrophobicContact CB-CG 4.49Å; F96-F177 HydrophobicContact CG-CD2 4.33Å; F96-C180 HydrophobicContact CD1-CB 4.39Å; F96-C180 HydrophobicContact CE1-CB 3.97Å; F96-C180 WeakPolarHBondContact CE1-SG 3.42Å; F96-L190 HydrophobicContact CE1-CD1 4.47Å; F96-L190 HydrophobicContact CZ-CD1 4.16Å; F96-L193 HydrophobicContact CE1-CD2 3.75Å; F96-L193 HydrophobicContact CZ-CD2 4.1Å |
| 97 | Y | 86.4 | Confident | 81.4 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 151.9 | 176.2 | 61.3 | -90.2 | 0 | 0 | 0 | 111.2 | E73 G99 L104 F174 S175 N176 F177 | E73-Y97 WeakPolarHBondContact OE2-CA 3.18Å; Y97-G99 WeakPolarHBondContact CD2-O 3.41Å; Y97-G99 WeakPolarHBondContact CE2-O 3.42Å; Y97-L104 HydrophobicContact CD1-CD1 4.49Å; Y97-L104 HydrophobicContact CD1-CD2 3.77Å; Y97-L104 HydrophobicContact CD1-CG 4.39Å; Y97-L104 HydrophobicContact CE1-CD1 4.11Å; Y97-L104 HydrophobicContact CE1-CD2 4.19Å; Y97-L104 HydrophobicContact CE1-CG 4.35Å; Y97-L104 HydrophobicContact CG-CD2 4.08Å; Y97-F174 HydrophobicContact CE1-CB 4.45Å; Y97-S175 WeakPolarHBondContact CD1-O 3.45Å; Y97-S175 VanDerWaalsContact CE1-O 3.31Å; Y97-S175 WeakPolarHBondContact CE1-O 3.26Å; Y97-S175 PolarHBondContact N-O 3.46Å; Y97-S175 VanDerWaalsContact N-O 3.09Å; Y97-N176 HydrophobicContact CE2-CB 4.08Å; Y97-F177 WeakPolarHBondContact O-CB 3.01Å; Y97-F177 PolarHBondContact O-N 3Å |
| 98 | S | 81.1 | Confident | 80.7 | Confident | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -87.6 | -24 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 114 | E73 Y178 | E73-S98 WeakPolarHBondContact OE1-CB 3.25Å; E73-S98 PolarHBondContact OE1-OG 3.02Å; E73-S98 PolarHBondContact OE2-N 3.12Å; S98-Y178 WeakPolarHBondContact O-CE2 3.41Å |
| 99 | G | 73.9 | Confident | 80.3 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -89.8 | -165.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y97 N176 | Y97-G99 WeakPolarHBondContact CD2-O 3.41Å; Y97-G99 WeakPolarHBondContact CE2-O 3.42Å; G99-N176 PolarHBondContact O-ND2 2.71Å |
| 100 | L | 68.4 | Low | 80 | Confident | 134 Ų | 134 | 33.5 Ų | 33.5 | 70% | 0.702 | 21% | 0.21 | S | C | * | . | trans | -78.1 | 158.7 | 170.5 | -67.8 | 170.4 | 0 | 0 | 0 | 111 | Q102 S103 | L100-Q102 PolarHBondContact O-N 3.05Å; L100-Q102 VanDerWaalsContact O-N 3.1Å; L100-S103 WeakPolarHBondContact O-CB 3.49Å; L100-S103 PolarHBondContact O-N 3.49Å; L100-S103 PolarHBondContact O-OG 3Å | ||
| 101 | L | 66 | Low | 79.8 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -53 | -36.9 | -179.2 | -177 | 63.4 | 0 | 0 | 0 | 113.5 | S103 L104 L129 F161 | L101-S103 PolarHBondContact O-N 2.85Å; L101-S103 VanDerWaalsContact O-N 3.12Å; L101-L104 HydrophobicContact CD1-CD1 3.61Å; L101-L104 HydrophobicContact CD1-CG 4.34Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.13Å; L101-L129 HydrophobicContact CD2-CD2 4.21Å; L101-F161 HydrophobicContact CD1-CD2 3.82Å; L101-F161 HydrophobicContact CD1-CE2 3.16Å; L101-F161 HydrophobicContact CD1-CZ 3.58Å; L101-F161 HydrophobicContact CD2-CE1 4.38Å; L101-F161 HydrophobicContact CD2-CE2 3.83Å; L101-F161 HydrophobicContact CD2-CZ 3.41Å; L101-F161 VanDerWaalsContact CD2-CZ 3.41Å; L101-F161 HydrophobicContact CG-CE2 4.12Å; L101-F161 HydrophobicContact CG-CZ 4.13Å |
| 102 | Q | 66.2 | Low | 79.4 | Confident | 124 Ų | 124 | 32 Ų | 32 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -62.5 | -20.1 | 179.3 | -60.7 | 84.4 | 7.9 | 0 | 0 | 113 | L100 L104 G105 | L100-Q102 PolarHBondContact O-N 3.05Å; L100-Q102 VanDerWaalsContact O-N 3.1Å; Q102-L104 PolarHBondContact O-N 3.13Å; Q102-G105 PolarHBondContact O-N 2.96Å |
| 103 | S | 68.6 | Low | 78.9 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -68.4 | -22.2 | 175.2 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | L100 L101 G105 S106 | L100-S103 WeakPolarHBondContact O-CB 3.49Å; L100-S103 PolarHBondContact O-N 3.49Å; L100-S103 PolarHBondContact O-OG 3Å; L101-S103 PolarHBondContact O-N 2.85Å; L101-S103 VanDerWaalsContact O-N 3.12Å; S103-G105 PolarHBondContact O-N 3.03Å; S103-S106 WeakPolarHBondContact O-CB 3.29Å; S103-S106 PolarHBondContact O-N 3.25Å; S103-S106 PolarHBondContact O-OG 2.59Å |
| 104 | L | 72.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61.5 | -30.6 | 174 | -65.7 | -174.8 | 0 | 0 | 0 | 112.1 | Y97 L101 Q102 S106 L107 F124 F174 | Y97-L104 HydrophobicContact CD1-CD1 4.49Å; Y97-L104 HydrophobicContact CD1-CD2 3.77Å; Y97-L104 HydrophobicContact CD1-CG 4.39Å; Y97-L104 HydrophobicContact CE1-CD1 4.11Å; Y97-L104 HydrophobicContact CE1-CD2 4.19Å; Y97-L104 HydrophobicContact CE1-CG 4.35Å; Y97-L104 HydrophobicContact CG-CD2 4.08Å; L101-L104 HydrophobicContact CD1-CD1 3.61Å; L101-L104 HydrophobicContact CD1-CG 4.34Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.13Å; Q102-L104 PolarHBondContact O-N 3.13Å; L104-S106 PolarHBondContact O-N 3.36Å; L104-L107 HydrophobicContact CB-CD1 4.45Å; L104-L107 HydrophobicContact CD2-CD1 3.62Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.41Å; L104-L107 PolarHBondContact O-N 3.26Å; L104-F124 HydrophobicContact CB-CD1 4.5Å; L104-F124 HydrophobicContact CB-CD2 4.3Å; L104-F124 HydrophobicContact CB-CE1 4.15Å; L104-F124 HydrophobicContact CB-CE2 3.94Å; L104-F124 HydrophobicContact CB-CZ 3.86Å; L104-F124 HydrophobicContact CD1-CE1 4.01Å; L104-F124 HydrophobicContact CD1-CZ 4.32Å; L104-F174 HydrophobicContact CD1-CB 3.96Å; L104-F174 HydrophobicContact CD1-CD1 4.44Å; L104-F174 HydrophobicContact CD1-CG 4.33Å; L104-F174 HydrophobicContact CD2-CD1 4.08Å |
| 105 | G | 70.2 | Confident | 77.6 | Confident | 17 Ų | 17 | 38 Ų | 38 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -65.1 | -18.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | Q102 S103 | Q102-G105 PolarHBondContact O-N 2.96Å; S103-G105 PolarHBondContact O-N 3.03Å |
| 106 | S | 71.3 | Confident | 77.2 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -90.9 | 0.1 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | S103 L104 D108 | S103-S106 WeakPolarHBondContact O-CB 3.29Å; S103-S106 PolarHBondContact O-N 3.25Å; S103-S106 PolarHBondContact O-OG 2.59Å; L104-S106 PolarHBondContact O-N 3.36Å; S106-D108 PolarHBondContact O-N 3.19Å |
| 107 | L | 77.2 | Confident | 76.8 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | trans | -76.9 | 70.2 | 178.8 | -61.6 | 176.1 | 0 | 0 | 0 | 110.9 | E73 W80 L104 A109 C110 R120 | E73-L107 HydrophobicContact CB-CD2 4.12Å; W80-L107 HydrophobicContact CH2-CD1 4.22Å; W80-L107 HydrophobicContact CZ2-CD1 4.18Å; W80-L107 HydrophobicContact CZ2-CD2 4.42Å; L104-L107 HydrophobicContact CB-CD1 4.45Å; L104-L107 HydrophobicContact CD2-CD1 3.62Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.41Å; L104-L107 PolarHBondContact O-N 3.26Å; L107-A109 PolarHBondContact O-N 2.79Å; L107-A109 VanDerWaalsContact O-N 3.09Å; L107-C110 HydrophobicContact CB-CB 3.69Å; L107-C110 VanDerWaalsContact O-CB 3.25Å; L107-C110 WeakPolarHBondContact O-CB 3.42Å; L107-C110 PolarHBondContact O-N 2.99Å; L107-R120 PolarHBondContact O-NH1 2.91Å | ||
| 108 | D | 72.9 | Confident | 76.5 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.7 | -173.5 | -73.4 | -29.8 | 0 | 0 | 0 | 113.3 | S106 R120 Q141 | S106-D108 PolarHBondContact O-N 3.19Å; D108-R120 VanDerWaalsContact CA-NH1 3.3Å; D108-R120 PolarHBondContact O-NH1 3Å; D108-R120 IonicContact OD1-CZ 3.59Å; D108-R120 IonicContact OD1-NH2 2.7Å; D108-R120 PolarHBondContact OD1-NH2 2.82Å; D108-Q141 PolarHBondContact O-NE2 2.77Å |
| 109 | A | 79.7 | Confident | 76.4 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R77 W80 L107 V111 | R77-A109 HydrophobicContact CB-CB 4.1Å; W80-A109 WeakPolarHBondContact CB-O 3.43Å; L107-A109 PolarHBondContact O-N 2.79Å; L107-A109 VanDerWaalsContact O-N 3.09Å; A109-V111 PolarHBondContact O-N 3.12Å |
| 110 | C | 82.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -76.2 | 110.5 | -176 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | W80 L107 F112 F113 Q141 | W80-C110 HydrophobicContact CD2-CB 4.14Å; W80-C110 HydrophobicContact CE3-CB 4.33Å; W80-C110 HydrophobicContact CZ2-CB 4.31Å; W80-C110 HydrophobicContact CZ3-CB 4.48Å; L107-C110 HydrophobicContact CB-CB 3.69Å; L107-C110 VanDerWaalsContact O-CB 3.25Å; L107-C110 WeakPolarHBondContact O-CB 3.42Å; L107-C110 PolarHBondContact O-N 2.99Å; C110-F112 PolarHBondContact O-N 2.82Å; C110-F113 HydrophobicContact CB-CD2 4.1Å; C110-F113 WeakPolarHBondContact SG-CD2 3.31Å; C110-Q141 PolarHBondContact O-NE2 3.08Å | ||
| 111 | V | 84.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.8 | -174.5 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | W80 Q81 Y84 A109 F113 | W80-V111 HydrophobicContact CB-CG1 4.16Å; W80-V111 HydrophobicContact CB-CG2 4.14Å; Q81-V111 HydrophobicContact CG-CG1 4.02Å; Y84-V111 HydrophobicContact CD2-CG2 3.73Å; Y84-V111 HydrophobicContact CG-CG2 3.78Å; A109-V111 PolarHBondContact O-N 3.12Å; V111-F113 VanDerWaalsContact C-N 3.34Å |
| 112 | F | 82.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17 | 178.9 | -66.6 | -84.8 | 0 | 0 | 0 | 113.1 | W80 M83 Y84 Y87 F95 C110 V172 F174 | W80-F112 HydrophobicContact CE3-CD2 4.01Å; W80-F112 HydrophobicContact CE3-CE2 4.02Å; W80-F112 HydrophobicContact CZ3-CD2 4.32Å; W80-F112 HydrophobicContact CZ3-CE2 4.45Å; M83-F112 HydrophobicContact CB-CE2 4.44Å; M83-F112 HydrophobicContact CB-CZ 4.44Å; Y84-F112 AromaticContact CD2-CD1 3.78Å; Y84-F112 HydrophobicContact CD2-CD1 3.78Å; Y84-F112 AromaticContact CD2-CE1 3.59Å; Y84-F112 HydrophobicContact CD2-CE1 3.59Å; Y84-F112 HydrophobicContact CD2-CE2 4.46Å; Y84-F112 HydrophobicContact CD2-CG 4.33Å; Y84-F112 AromaticContact CD2-CZ 3.96Å; Y84-F112 HydrophobicContact CD2-CZ 3.96Å; Y84-F112 HydrophobicContact CE2-CD1 4.14Å; Y84-F112 HydrophobicContact CE2-CE1 4.26Å; Y87-F112 AromaticContact CD1-CE1 3.77Å; Y87-F112 HydrophobicContact CD1-CE1 3.77Å; Y87-F112 HydrophobicContact CD2-CE1 4.32Å; Y87-F112 HydrophobicContact CE1-CE1 4.32Å; Y87-F112 AromaticContact CG-CE1 3.76Å; Y87-F112 HydrophobicContact CG-CE1 3.76Å; F95-F112 HydrophobicContact CE2-CD2 4.2Å; F95-F112 AromaticContact CE2-CE2 3.71Å; F95-F112 HydrophobicContact CE2-CE2 3.71Å; F95-F112 HydrophobicContact CE2-CZ 4.19Å; F95-F112 AromaticContact CZ-CE2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 3.8Å; F95-F112 HydrophobicContact CZ-CZ 4.41Å; C110-F112 PolarHBondContact O-N 2.82Å; F112-V172 HydrophobicContact CD1-CB 4.06Å; F112-V172 HydrophobicContact CD1-CG1 3.79Å; F112-V172 HydrophobicContact CD1-CG2 3.98Å; F112-V172 HydrophobicContact CD2-CG2 4.49Å; F112-V172 HydrophobicContact CE1-CB 3.88Å; F112-V172 HydrophobicContact CE1-CG1 4.09Å; F112-V172 HydrophobicContact CE1-CG2 3.86Å; F112-V172 HydrophobicContact CE2-CG2 4.42Å; F112-V172 HydrophobicContact CG-CG2 4.29Å; F112-V172 HydrophobicContact CZ-CG2 4.1Å; F112-F174 HydrophobicContact CB-CZ 4.42Å; F112-F174 HydrophobicContact CD2-CZ 4.48Å |
| 113 | F | 82.5 | Confident | 78 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -112.7 | 169.6 | -178.6 | -57.7 | -53.4 | 0 | 0 | 0 | 111 | C110 V111 R120 L123 F124 N140 Q141 L148 F174 | C110-F113 HydrophobicContact CB-CD2 4.1Å; C110-F113 WeakPolarHBondContact SG-CD2 3.31Å; V111-F113 VanDerWaalsContact C-N 3.34Å; F113-R120 HydrophobicContact CB-CG 3.98Å; F113-L123 HydrophobicContact CD1-CD2 3.83Å; F113-L123 HydrophobicContact CE1-CD2 4.37Å; F113-F124 HydrophobicContact CD1-CZ 4.03Å; F113-F124 HydrophobicContact CD2-CE2 4.33Å; F113-F124 HydrophobicContact CD2-CZ 4.08Å; F113-F124 HydrophobicContact CE1-CE1 4.36Å; F113-F124 AromaticContact CE1-CZ 3.68Å; F113-F124 HydrophobicContact CE1-CZ 3.68Å; F113-F124 HydrophobicContact CE2-CE2 4.36Å; F113-F124 AromaticContact CE2-CZ 3.73Å; F113-F124 HydrophobicContact CE2-CZ 3.73Å; F113-F124 HydrophobicContact CG-CE2 4.46Å; F113-F124 HydrophobicContact CG-CZ 4.23Å; F113-F124 HydrophobicContact CZ-CE1 4.26Å; F113-F124 AromaticContact CZ-CZ 3.53Å; F113-F124 HydrophobicContact CZ-CZ 3.53Å; F113-N140 WeakPolarHBondContact O-CA 3.28Å; F113-Q141 WeakPolarHBondContact O-CG 3.02Å; F113-Q141 PolarHBondContact O-N 3.09Å; F113-L148 HydrophobicContact CE1-CD2 4.41Å; F113-F174 HydrophobicContact CE1-CE2 4.18Å; F113-F174 AromaticContact CE2-CE1 3.91Å; F113-F174 HydrophobicContact CE2-CE1 3.91Å; F113-F174 AromaticContact CE2-CE2 3.96Å; F113-F174 HydrophobicContact CE2-CE2 3.96Å; F113-F174 AromaticContact CE2-CZ 3.59Å; F113-F174 HydrophobicContact CE2-CZ 3.59Å; F113-F174 HydrophobicContact CZ-CD1 4.5Å; F113-F174 AromaticContact CZ-CD2 3.82Å; F113-F174 HydrophobicContact CZ-CD2 3.82Å; F113-F174 HydrophobicContact CZ-CE1 4.08Å; F113-F174 AromaticContact CZ-CE2 3.33Å; F113-F174 HydrophobicContact CZ-CE2 3.33Å; F113-F174 HydrophobicContact CZ-CG 4.39Å; F113-F174 AromaticContact CZ-CZ 3.48Å; F113-F174 HydrophobicContact CZ-CZ 3.48Å; F113-F174 VanDerWaalsContact CZ-CZ 3.48Å |
| 114 | P | 80.7 | Confident | 78.2 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | trans | -55.7 | 152.6 | 173 | -23.5 | 32.2 | 0 | 0 | 0 | 112.4 | A119 R120 L139 F146 | P114-A119 HydrophobicContact CB-CB 4.13Å; P114-A119 HydrophobicContact CG-CB 4.42Å; P114-R120 HydrophobicContact CB-CG 4.32Å; P114-R120 WeakPolarHBondContact O-CD 3.22Å; P114-R120 WeakPolarHBondContact O-CG 3.12Å; P114-R120 PolarHBondContact O-NE 2.93Å; P114-L139 WeakPolarHBondContact CG-O 3.28Å; P114-F146 HydrophobicContact CG-CE1 4.28Å; P114-F146 HydrophobicContact CG-CZ 4.44Å | ||
| 115 | E | 80.6 | Confident | 78.1 | Confident | 118 Ų | 118 | 53.2 Ų | 53.2 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -74 | -33.1 | 175.7 | -170.9 | 168 | -155.9 | 0 | 0 | 111.5 | S117 R120 Q141 | E115-S117 PolarHBondContact O-N 3.11Å; E115-R120 PolarHBondContact O-NH2 2.81Å; E115-Q141 HydrophobicContact CB-CB 4.41Å; E115-Q141 HydrophobicContact CB-CG 3.93Å |
| 116 | D | 83.7 | Confident | 77.7 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | trans | -67.4 | 125.1 | 179.2 | 178.8 | 61.1 | 0 | 0 | 0 | 112.2 | E118 A119 R120 | D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 2.86Å; D116-E118 WeakPolarHBondContact OD2-CB 3.49Å; D116-E118 PolarHBondContact OD2-N 3.09Å; D116-A119 HydrophobicContact CB-CB 4.03Å; D116-A119 PolarHBondContact O-N 2.92Å; D116-A119 WeakPolarHBondContact OD2-CB 3.49Å; D116-A119 PolarHBondContact OD2-N 3.43Å; D116-R120 PolarHBondContact O-N 2.8Å | ||
| 117 | S | 80.5 | Confident | 77.4 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -32.2 | -176.7 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | E115 R120 R121 | E115-S117 PolarHBondContact O-N 3.11Å; S117-R120 PolarHBondContact OG-NH2 2.8Å; S117-R121 WeakPolarHBondContact O-CB 3.12Å; S117-R121 PolarHBondContact O-N 3.27Å |
| 118 | E | 81.1 | Confident | 76.5 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.5 | -48 | 176.9 | -171.5 | 172.2 | -170.3 | 0 | 0 | 110.4 | D116 R120 R121 M122 | D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 2.86Å; D116-E118 WeakPolarHBondContact OD2-CB 3.49Å; D116-E118 PolarHBondContact OD2-N 3.09Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.39Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-M122 HydrophobicContact CG-CG 4.49Å; E118-M122 HydrophobicContact CG-SD 4.4Å; E118-M122 WeakPolarHBondContact O-CB 3.44Å; E118-M122 VanDerWaalsContact O-CG 3.3Å; E118-M122 WeakPolarHBondContact O-CG 3.36Å; E118-M122 PolarHBondContact O-N 3.01Å |
| 119 | A | 78.9 | Confident | 75.6 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P114 D116 L123 | P114-A119 HydrophobicContact CB-CB 4.13Å; P114-A119 HydrophobicContact CG-CB 4.42Å; D116-A119 HydrophobicContact CB-CB 4.03Å; D116-A119 PolarHBondContact O-N 2.92Å; D116-A119 WeakPolarHBondContact OD2-CB 3.49Å; D116-A119 PolarHBondContact OD2-N 3.43Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 PolarHBondContact O-N 2.74Å |
| 120 | R | 81.3 | Confident | 74.3 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 173.7 | -78 | -172.1 | -64.5 | -151.9 | 5.9 | 112.9 | L107 D108 F113 P114 E115 D116 S117 E118 L123 F124 | L107-R120 PolarHBondContact O-NH1 2.91Å; D108-R120 VanDerWaalsContact CA-NH1 3.3Å; D108-R120 PolarHBondContact O-NH1 3Å; D108-R120 IonicContact OD1-CZ 3.59Å; D108-R120 IonicContact OD1-NH2 2.7Å; D108-R120 PolarHBondContact OD1-NH2 2.82Å; F113-R120 HydrophobicContact CB-CG 3.98Å; P114-R120 HydrophobicContact CB-CG 4.32Å; P114-R120 WeakPolarHBondContact O-CD 3.22Å; P114-R120 WeakPolarHBondContact O-CG 3.12Å; P114-R120 PolarHBondContact O-NE 2.93Å; E115-R120 PolarHBondContact O-NH2 2.81Å; D116-R120 PolarHBondContact O-N 2.8Å; S117-R120 PolarHBondContact OG-NH2 2.8Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.39Å; R120-L123 WeakPolarHBondContact O-CB 3.39Å; R120-L123 PolarHBondContact O-N 2.93Å; R120-F124 WeakPolarHBondContact O-CD2 3.39Å; R120-F124 PolarHBondContact O-N 3.46Å |
| 121 | R | 76.3 | Confident | 72.9 | Confident | 180 Ų | 180 | 59.7 Ų | 59.7 | 68% | 0.679 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 177.5 | -175.2 | 177.1 | 178.2 | 156.3 | -0.1 | 110.1 | S117 E118 L123 F124 T125 | S117-R121 WeakPolarHBondContact O-CB 3.12Å; S117-R121 PolarHBondContact O-N 3.27Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 VanDerWaalsContact O-N 3.11Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.92Å; R121-F124 PolarHBondContact O-N 2.75Å; R121-T125 HydrophobicContact CG-CG2 3.99Å; R121-T125 WeakPolarHBondContact O-CB 3.41Å; R121-T125 VanDerWaalsContact O-CG2 3.29Å; R121-T125 WeakPolarHBondContact O-CG2 3.21Å; R121-T125 PolarHBondContact O-N 3.37Å; R121-T125 PolarHBondContact O-OG1 3.24Å |
| 122 | M | 74.9 | Confident | 71.5 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -54.5 | -49.8 | 175.2 | -71.4 | -173.7 | 109.6 | 0 | 0 | 110.5 | E118 F124 T125 S126 | E118-M122 HydrophobicContact CG-CG 4.49Å; E118-M122 HydrophobicContact CG-SD 4.4Å; E118-M122 WeakPolarHBondContact O-CB 3.44Å; E118-M122 VanDerWaalsContact O-CG 3.3Å; E118-M122 WeakPolarHBondContact O-CG 3.36Å; E118-M122 PolarHBondContact O-N 3.01Å; M122-F124 VanDerWaalsContact C-N 3.31Å; M122-F124 PolarHBondContact O-N 2.93Å; M122-T125 WeakPolarHBondContact CA-OG1 3.09Å; M122-T125 PolarHBondContact O-N 3.12Å; M122-T125 PolarHBondContact O-OG1 3.05Å; M122-S126 WeakPolarHBondContact O-CB 3.25Å; M122-S126 PolarHBondContact O-N 3.05Å; M122-S126 PolarHBondContact O-OG 3.43Å |
| 123 | L | 74.9 | Confident | 70 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -47.4 | -49 | 177.9 | 177.2 | 69.5 | 0 | 0 | 0 | 113.2 | F113 A119 R120 R121 M127 F136 F146 L148 | F113-L123 HydrophobicContact CD1-CD2 3.83Å; F113-L123 HydrophobicContact CE1-CD2 4.37Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 PolarHBondContact O-N 2.74Å; R120-L123 WeakPolarHBondContact O-CB 3.39Å; R120-L123 PolarHBondContact O-N 2.93Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.92Å; L123-M127 HydrophobicContact CD1-CE 3.94Å; L123-M127 HydrophobicContact CG-CE 4.18Å; L123-M127 WeakPolarHBondContact O-CE 3.36Å; L123-M127 VanDerWaalsContact O-CG 3.3Å; L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 VanDerWaalsContact O-SD 3.42Å; L123-F136 HydrophobicContact CD1-CB 3.83Å; L123-F136 HydrophobicContact CD1-CD1 3.14Å; L123-F136 HydrophobicContact CD1-CD2 3.86Å; L123-F136 HydrophobicContact CD1-CE1 3.53Å; L123-F136 HydrophobicContact CD1-CE2 4.19Å; L123-F136 HydrophobicContact CD1-CG 3.31Å; L123-F136 HydrophobicContact CD1-CZ 4.03Å; L123-F146 HydrophobicContact CD2-CZ 4.3Å; L123-L148 HydrophobicContact CD1-CD2 4.13Å; L123-L148 HydrophobicContact CD2-CD2 4.21Å; L123-L148 HydrophobicContact CG-CD2 4.31Å |
| 124 | F | 73.4 | Confident | 68.9 | Low | 10 Ų | 10 | 80.7 Ų | 80.7 | 4% | 0.044 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -89.5 | -22.8 | -176.5 | -64 | -66.6 | 0 | 0 | 0 | 114.1 | L104 F113 R120 R121 M122 M127 L148 | L104-F124 HydrophobicContact CB-CD1 4.5Å; L104-F124 HydrophobicContact CB-CD2 4.3Å; L104-F124 HydrophobicContact CB-CE1 4.15Å; L104-F124 HydrophobicContact CB-CE2 3.94Å; L104-F124 HydrophobicContact CB-CZ 3.86Å; L104-F124 HydrophobicContact CD1-CE1 4.01Å; L104-F124 HydrophobicContact CD1-CZ 4.32Å; F113-F124 HydrophobicContact CD1-CZ 4.03Å; F113-F124 HydrophobicContact CD2-CE2 4.33Å; F113-F124 HydrophobicContact CD2-CZ 4.08Å; F113-F124 HydrophobicContact CE1-CE1 4.36Å; F113-F124 AromaticContact CE1-CZ 3.68Å; F113-F124 HydrophobicContact CE1-CZ 3.68Å; F113-F124 HydrophobicContact CE2-CE2 4.36Å; F113-F124 AromaticContact CE2-CZ 3.73Å; F113-F124 HydrophobicContact CE2-CZ 3.73Å; F113-F124 HydrophobicContact CG-CE2 4.46Å; F113-F124 HydrophobicContact CG-CZ 4.23Å; F113-F124 HydrophobicContact CZ-CE1 4.26Å; F113-F124 AromaticContact CZ-CZ 3.53Å; F113-F124 HydrophobicContact CZ-CZ 3.53Å; R120-F124 WeakPolarHBondContact O-CD2 3.39Å; R120-F124 PolarHBondContact O-N 3.46Å; R121-F124 PolarHBondContact O-N 2.75Å; M122-F124 VanDerWaalsContact C-N 3.31Å; M122-F124 PolarHBondContact O-N 2.93Å; F124-M127 HydrophobicContact CD1-SD 4.14Å; F124-L148 HydrophobicContact CE1-CD2 4.48Å |
| 125 | T | 68.9 | Low | 68.2 | Low | 88 Ų | 88 | 87 Ų | 87 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -81.9 | -28.2 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | R121 M122 M127 | R121-T125 HydrophobicContact CG-CG2 3.99Å; R121-T125 WeakPolarHBondContact O-CB 3.41Å; R121-T125 VanDerWaalsContact O-CG2 3.29Å; R121-T125 WeakPolarHBondContact O-CG2 3.21Å; R121-T125 PolarHBondContact O-N 3.37Å; R121-T125 PolarHBondContact O-OG1 3.24Å; M122-T125 WeakPolarHBondContact CA-OG1 3.09Å; M122-T125 PolarHBondContact O-N 3.12Å; M122-T125 PolarHBondContact O-OG1 3.05Å; T125-M127 VanDerWaalsContact C-N 3.28Å |
| 126 | S | 63.5 | Low | 67.8 | Low | 73 Ų | 73 | 84.8 Ų | 84.8 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -81.7 | -7.4 | 180 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | M122 D128 | M122-S126 WeakPolarHBondContact O-CB 3.25Å; M122-S126 PolarHBondContact O-N 3.05Å; M122-S126 PolarHBondContact O-OG 3.43Å; S126-D128 PolarHBondContact O-N 2.98Å; S126-D128 VanDerWaalsContact O-N 3.17Å |
| 127 | M | 63.2 | Low | 67.4 | Low | 15 Ų | 15 | 86.3 Ų | 86.3 | 7% | 0.074 | 44% | 0.44 | C | S | . | . | trans | -74.3 | 105 | -179.9 | -76.3 | 170.5 | 174.3 | 0 | 0 | 110.1 | L123 F124 T125 L129 L148 W150 F161 | L123-M127 HydrophobicContact CD1-CE 3.94Å; L123-M127 HydrophobicContact CG-CE 4.18Å; L123-M127 WeakPolarHBondContact O-CE 3.36Å; L123-M127 VanDerWaalsContact O-CG 3.3Å; L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 VanDerWaalsContact O-SD 3.42Å; F124-M127 HydrophobicContact CD1-SD 4.14Å; T125-M127 VanDerWaalsContact C-N 3.28Å; M127-L129 PolarHBondContact O-N 3.49Å; M127-L148 HydrophobicContact CE-CD2 3.27Å; M127-L148 HydrophobicContact CE-CG 4.08Å; M127-W150 HydrophobicContact CB-CH2 4.47Å; M127-W150 HydrophobicContact CB-CZ2 4.24Å; M127-W150 HydrophobicContact CE-CE3 3.81Å; M127-W150 HydrophobicContact CE-CH2 4.4Å; M127-W150 HydrophobicContact CE-CZ3 3.67Å; M127-W150 HydrophobicContact CG-CE3 4.28Å; M127-W150 HydrophobicContact CG-CH2 3.76Å; M127-W150 HydrophobicContact CG-CZ2 3.98Å; M127-W150 HydrophobicContact CG-CZ3 3.93Å; M127-W150 HydrophobicContact SD-CE3 4.34Å; M127-W150 HydrophobicContact SD-CZ3 4.41Å; M127-F161 HydrophobicContact CE-CD1 4.47Å; M127-F161 HydrophobicContact CE-CE1 4.38Å; M127-F161 HydrophobicContact SD-CD1 4.03Å; M127-F161 HydrophobicContact SD-CE1 3.42Å; M127-F161 WeakPolarHBondContact SD-CE1 3.47Å; M127-F161 HydrophobicContact SD-CZ 4.33Å | ||
| 128 | D | 58.6 | Low | 67.1 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | trans | -79.9 | 103.7 | 168.7 | -170.7 | -3.9 | 0 | 0 | 0 | 109.4 | S126 A130 S131 | S126-D128 PolarHBondContact O-N 2.98Å; S126-D128 VanDerWaalsContact O-N 3.17Å; D128-A130 PolarHBondContact O-N 3.02Å; D128-A130 VanDerWaalsContact O-N 3.11Å; D128-A130 WeakPolarHBondContact OD1-CB 3.45Å; D128-A130 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact O-N 2.85Å; D128-S131 VanDerWaalsContact O-N 3.09Å; D128-S131 PolarHBondContact O-OG 2.96Å | ||
| 129 | L | 55.5 | Low | 67.1 | Low | 82 Ų | 82 | 82 Ų | 82 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.9 | -179.7 | -56.2 | 165.5 | 0 | 0 | 0 | 112.5 | L101 M127 T159 F161 | L101-L129 HydrophobicContact CD2-CD2 4.21Å; M127-L129 PolarHBondContact O-N 3.49Å; L129-T159 HydrophobicContact CD2-CG2 4.09Å; L129-T159 WeakPolarHBondContact CD2-OG1 3.4Å; L129-F161 HydrophobicContact CD2-CZ 4.23Å |
| 130 | A | 51.7 | Low | 67.3 | Low | 86 Ų | 86 | 80.8 Ų | 80.8 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | D128 | D128-A130 PolarHBondContact O-N 3.02Å; D128-A130 VanDerWaalsContact O-N 3.11Å; D128-A130 WeakPolarHBondContact OD1-CB 3.45Å; D128-A130 PolarHBondContact OD1-N 2.82Å |
| 131 | S | 54.3 | Low | 67.4 | Low | 31 Ų | 31 | 82 Ų | 82 | 22% | 0.217 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -79.3 | 136.7 | 179.9 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | D128 Q133 | D128-S131 PolarHBondContact O-N 2.85Å; D128-S131 VanDerWaalsContact O-N 3.09Å; D128-S131 PolarHBondContact O-OG 2.96Å; S131-Q133 PolarHBondContact O-N 2.74Å |
| 132 | E | 54.1 | Low | 67.7 | Low | 188 Ų | 188 | 76.4 Ų | 76.4 | 88% | 0.879 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.3 | -24.2 | -171.6 | -75.5 | -170.4 | 163.1 | 0 | 0 | 114.6 | ||
| 133 | Q | 51.8 | Low | 68 | Low | 172 Ų | 172 | 73.5 Ų | 73.5 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | trans | -164 | 121.3 | 168 | -76.7 | -161.4 | -15.3 | 0 | 0 | 111.2 | S131 | S131-Q133 PolarHBondContact O-N 2.74Š| ||
| 134 | E | 58.7 | Low | 68.2 | Low | 92 Ų | 92 | 76 Ų | 76 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | trans | -137.8 | 131.6 | 166.6 | -77.3 | -179 | 177.7 | 0 | 0 | 107.8 | W150 | E134-W150 HydrophobicContact CB-CH2 3.2Å; E134-W150 HydrophobicContact CB-CZ2 3.26Å; E134-W150 HydrophobicContact CB-CZ3 4.04Å; E134-W150 HydrophobicContact CG-CH2 4.39Å; E134-W150 HydrophobicContact CG-CZ2 4.25Å; E134-W150 WeakPolarHBondContact O-CH2 3.04Å; E134-W150 WeakPolarHBondContact O-CZ3 3.44Å; E134-W150 WeakPolarHBondContact OE2-CZ2 3.28Å | ||
| 135 | Y | 67.4 | Low | 68.4 | Low | 150 Ų | 150 | 81.1 Ų | 81.1 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132 | 172.8 | 52.1 | -90.5 | 0 | 0 | 0 | 107.5 | K137 T147 L148 | Y135-K137 HydrophobicContact CD2-CG 4.3Å; Y135-T147 HydrophobicContact CD2-CG2 4.39Å; Y135-T147 HydrophobicContact CG-CG2 4.46Å; Y135-L148 CarbonylContact C-O 3.58Å; Y135-L148 WeakPolarHBondContact CA-O 3.02Å |
| 136 | F | 71.1 | Confident | 68.8 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131 | 172.9 | -171.3 | -85.6 | 0 | 0 | 0 | 109.7 | L123 F146 T147 L148 W150 | L123-F136 HydrophobicContact CD1-CB 3.83Å; L123-F136 HydrophobicContact CD1-CD1 3.14Å; L123-F136 HydrophobicContact CD1-CD2 3.86Å; L123-F136 HydrophobicContact CD1-CE1 3.53Å; L123-F136 HydrophobicContact CD1-CE2 4.19Å; L123-F136 HydrophobicContact CD1-CG 3.31Å; L123-F136 HydrophobicContact CD1-CZ 4.03Å; F136-F146 HydrophobicContact CD1-CE2 4.31Å; F136-F146 HydrophobicContact CD1-CZ 4.3Å; F136-F146 HydrophobicContact CE1-CZ 4.44Å; F136-T147 CarbonylContact O-C 3.51Å; F136-T147 WeakPolarHBondContact O-CA 2.96Å; F136-L148 HydrophobicContact CB-CB 4.44Å; F136-L148 PolarHBondContact N-O 2.65Å; F136-L148 PolarHBondContact O-N 3.45Å; F136-W150 HydrophobicContact CB-CZ3 4.44Å |
| 137 | K | 74.4 | Confident | 69.3 | Low | 122 Ų | 122 | 75.7 Ų | 75.7 | 53% | 0.53 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.6 | 171.5 | -67.3 | -179.7 | -176.6 | 170.1 | 0 | 109.4 | Y135 M145 F146 T147 | Y135-K137 HydrophobicContact CD2-CG 4.3Å; K137-M145 HydrophobicContact CB-SD 4.27Å; K137-F146 WeakPolarHBondContact CA-O 3.28Å; K137-T147 HydrophobicContact CG-CG2 4.24Å |
| 138 | G | 75.8 | Confident | 69.8 | Low | 13 Ų | 13 | 75 Ų | 75 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 176 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M145 F146 | G138-M145 CarbonylContact O-C 3.49Å; G138-M145 WeakPolarHBondContact O-CA 3.42Å; G138-F146 VanDerWaalsContact C-CE1 3.43Å; G138-F146 PolarHBondContact N-O 3.24Å; G138-F146 WeakPolarHBondContact O-CD1 3.4Å; G138-F146 PolarHBondContact O-N 2.82Å |
| 139 | L | 80.7 | Confident | 70.5 | Confident | 96 Ų | 96 | 72 Ų | 72 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.3 | 170.3 | -63.3 | 174.6 | 0 | 0 | 0 | 108.9 | P114 E144 M145 | P114-L139 WeakPolarHBondContact CG-O 3.28Å; L139-E144 WeakPolarHBondContact CA-O 3.47Å; L139-M145 HydrophobicContact CD2-CB 4.35Å; L139-M145 HydrophobicContact CD2-CE 4.03Å; L139-M145 HydrophobicContact CD2-SD 4.42Å |
| 140 | N | 83.2 | Confident | 71.2 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.059 | 36% | 0.362 | C | S | . | . | trans | -82.2 | 179.7 | 172.2 | 68.3 | 19.7 | 0 | 0 | 0 | 111.3 | Y84 F113 N142 G143 E144 F146 | Y84-N140 PolarHBondContact OH-ND2 3.17Å; F113-N140 WeakPolarHBondContact O-CA 3.28Å; N140-N142 PolarHBondContact O-N 3.44Å; N140-N142 WeakPolarHBondContact OD1-CA 3.24Å; N140-N142 WeakPolarHBondContact OD1-CB 3.34Å; N140-N142 PolarHBondContact OD1-N 3.34Å; N140-G143 PolarHBondContact O-N 2.91Å; N140-G143 PolarHBondContact OD1-N 2.92Å; N140-E144 PolarHBondContact N-O 2.94Å; N140-E144 PolarHBondContact OD1-N 2.98Å; N140-E144 PolarHBondContact OD1-O 3.49Å; N140-F146 HydrophobicContact CB-CD1 3.96Å; N140-F146 HydrophobicContact CB-CE1 4.41Å | ||
| 141 | Q | 83.6 | Confident | 71.8 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.1 | 179.4 | -52.6 | -163 | -12 | 0 | 0 | 114.1 | D108 C110 F113 E115 G143 | D108-Q141 PolarHBondContact O-NE2 2.77Å; C110-Q141 PolarHBondContact O-NE2 3.08Å; F113-Q141 WeakPolarHBondContact O-CG 3.02Å; F113-Q141 PolarHBondContact O-N 3.09Å; E115-Q141 HydrophobicContact CB-CB 4.41Å; E115-Q141 HydrophobicContact CB-CG 3.93Å; Q141-G143 VanDerWaalsContact C-N 3.3Å |
| 142 | N | 81.7 | Confident | 72.2 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.8 | 179.4 | -57.3 | -54.1 | 0 | 0 | 0 | 112.6 | Y84 N140 E144 | Y84-N142 WeakPolarHBondContact CE1-ND2 3.33Å; N140-N142 PolarHBondContact O-N 3.44Å; N140-N142 WeakPolarHBondContact OD1-CA 3.24Å; N140-N142 WeakPolarHBondContact OD1-CB 3.34Å; N140-N142 PolarHBondContact OD1-N 3.34Å; N142-E144 HydrophobicContact CB-CG 4.3Å; N142-E144 PolarHBondContact O-N 3.39Å |
| 143 | G | 81 | Confident | 72.5 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 55% | 0.546 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 72.4 | 15.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N140 Q141 | N140-G143 PolarHBondContact O-N 2.91Å; N140-G143 PolarHBondContact OD1-N 2.92Å; Q141-G143 VanDerWaalsContact C-N 3.3Å |
| 144 | E | 79.5 | Confident | 72.8 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | trans | -94.9 | 135.7 | -178.9 | -61 | -176.3 | 169.7 | 0 | 0 | 110.1 | Y84 R88 L139 N140 N142 F146 | Y84-E144 VanDerWaalsContact OH-CD 3.31Å; Y84-E144 PolarHBondContact OH-OE2 2.87Å; R88-E144 IonicContact CZ-OE1 3.17Å; R88-E144 IonicContact CZ-OE2 3.96Å; R88-E144 IonicContact NE-OE1 3.96Å; R88-E144 IonicContact NH1-OE1 2.67Å; R88-E144 PolarHBondContact NH1-OE1 2.79Å; R88-E144 IonicContact NH1-OE2 3.8Å; R88-E144 IonicContact NH2-OE1 3.49Å; R88-E144 PolarHBondContact NH2-OE1 3.2Å; L139-E144 WeakPolarHBondContact CA-O 3.47Å; N140-E144 PolarHBondContact N-O 2.94Å; N140-E144 PolarHBondContact OD1-N 2.98Å; N140-E144 PolarHBondContact OD1-O 3.49Å; N142-E144 HydrophobicContact CB-CG 4.3Å; N142-E144 PolarHBondContact O-N 3.39Å; E144-F146 PolarHBondContact O-N 2.88Å | ||
| 145 | M | 78.6 | Confident | 72.3 | Confident | 117 Ų | 117 | 56 Ų | 56 | 58% | 0.576 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.7 | 177 | -172.6 | 71.9 | 64.9 | 0 | 0 | 109.8 | K137 G138 L139 | K137-M145 HydrophobicContact CB-SD 4.27Å; G138-M145 CarbonylContact O-C 3.49Å; G138-M145 WeakPolarHBondContact O-CA 3.42Å; L139-M145 HydrophobicContact CD2-CB 4.35Å; L139-M145 HydrophobicContact CD2-CE 4.03Å; L139-M145 HydrophobicContact CD2-SD 4.42Å |
| 146 | F | 76.1 | Confident | 71.8 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 153.7 | 171 | 73.4 | -87.9 | 0 | 0 | 0 | 110.5 | P114 L123 F136 K137 G138 N140 E144 L148 | P114-F146 HydrophobicContact CG-CE1 4.28Å; P114-F146 HydrophobicContact CG-CZ 4.44Å; L123-F146 HydrophobicContact CD2-CZ 4.3Å; F136-F146 HydrophobicContact CD1-CE2 4.31Å; F136-F146 HydrophobicContact CD1-CZ 4.3Å; F136-F146 HydrophobicContact CE1-CZ 4.44Å; K137-F146 WeakPolarHBondContact CA-O 3.28Å; G138-F146 VanDerWaalsContact C-CE1 3.43Å; G138-F146 PolarHBondContact N-O 3.24Å; G138-F146 WeakPolarHBondContact O-CD1 3.4Å; G138-F146 PolarHBondContact O-N 2.82Å; N140-F146 HydrophobicContact CB-CD1 3.96Å; N140-F146 HydrophobicContact CB-CE1 4.41Å; E144-F146 PolarHBondContact O-N 2.88Å; F146-L148 HydrophobicContact CD2-CB 4.09Å; F146-L148 HydrophobicContact CE2-CB 3.92Å |
| 147 | T | 74.1 | Confident | 70.8 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.8 | 167.7 | -57.3 | 0 | 0 | 0 | 0 | 107.2 | Y135 F136 K137 A163 | Y135-T147 HydrophobicContact CD2-CG2 4.39Å; Y135-T147 HydrophobicContact CG-CG2 4.46Å; F136-T147 CarbonylContact O-C 3.51Å; F136-T147 WeakPolarHBondContact O-CA 2.96Å; K137-T147 HydrophobicContact CG-CG2 4.24Å; T147-A163 VanDerWaalsContact O-CA 3.23Å; T147-A163 WeakPolarHBondContact O-CA 3.41Å; T147-A163 WeakPolarHBondContact O-CB 3.26Å |
| 148 | L | 74.3 | Confident | 70.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.2 | 175 | -172.5 | 63.4 | 0 | 0 | 0 | 107.9 | F113 L123 F124 M127 Y135 F136 F146 F161 A163 | F113-L148 HydrophobicContact CE1-CD2 4.41Å; L123-L148 HydrophobicContact CD1-CD2 4.13Å; L123-L148 HydrophobicContact CD2-CD2 4.21Å; L123-L148 HydrophobicContact CG-CD2 4.31Å; F124-L148 HydrophobicContact CE1-CD2 4.48Å; M127-L148 HydrophobicContact CE-CD2 3.27Å; M127-L148 HydrophobicContact CE-CG 4.08Å; Y135-L148 CarbonylContact C-O 3.58Å; Y135-L148 WeakPolarHBondContact CA-O 3.02Å; F136-L148 HydrophobicContact CB-CB 4.44Å; F136-L148 PolarHBondContact N-O 2.65Å; F136-L148 PolarHBondContact O-N 3.45Å; F146-L148 HydrophobicContact CD2-CB 4.09Å; F146-L148 HydrophobicContact CE2-CB 3.92Å; L148-F161 HydrophobicContact CD1-CB 4.12Å; L148-A163 HydrophobicContact CD1-CB 4.2Å |
| 149 | S | 72.1 | Confident | 69.2 | Low | 31 Ų | 31 | 47.2 Ų | 47.2 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.1 | 173.5 | -62 | 0 | 0 | 0 | 0 | 108.8 | Y162 | S149-Y162 PolarHBondContact N-O 3.44Å; S149-Y162 PolarHBondContact O-N 3.29Å; S149-Y162 VanDerWaalsContact O-O 3.12Å |
| 150 | W | 70.8 | Confident | 68.3 | Low | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.076 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.7 | 175 | 75.7 | 80 | 0 | 0 | 0 | 111.5 | M127 E134 F136 T159 V160 F161 | M127-W150 HydrophobicContact CB-CH2 4.47Å; M127-W150 HydrophobicContact CB-CZ2 4.24Å; M127-W150 HydrophobicContact CE-CE3 3.81Å; M127-W150 HydrophobicContact CE-CH2 4.4Å; M127-W150 HydrophobicContact CE-CZ3 3.67Å; M127-W150 HydrophobicContact CG-CE3 4.28Å; M127-W150 HydrophobicContact CG-CH2 3.76Å; M127-W150 HydrophobicContact CG-CZ2 3.98Å; M127-W150 HydrophobicContact CG-CZ3 3.93Å; M127-W150 HydrophobicContact SD-CE3 4.34Å; M127-W150 HydrophobicContact SD-CZ3 4.41Å; E134-W150 HydrophobicContact CB-CH2 3.2Å; E134-W150 HydrophobicContact CB-CZ2 3.26Å; E134-W150 HydrophobicContact CB-CZ3 4.04Å; E134-W150 HydrophobicContact CG-CH2 4.39Å; E134-W150 HydrophobicContact CG-CZ2 4.25Å; E134-W150 WeakPolarHBondContact O-CH2 3.04Å; E134-W150 WeakPolarHBondContact O-CZ3 3.44Å; E134-W150 WeakPolarHBondContact OE2-CZ2 3.28Å; F136-W150 HydrophobicContact CB-CZ3 4.44Å; W150-T159 HydrophobicContact CB-CG2 3.34Å; W150-T159 HydrophobicContact CG-CG2 3.66Å; W150-V160 WeakPolarHBondContact CA-O 3.39Å; W150-F161 HydrophobicContact CB-CD1 3.8Å; W150-F161 HydrophobicContact CB-CE1 3.87Å; W150-F161 HydrophobicContact CG-CE1 4.24Å |
| 151 | D | 64.3 | Low | 67.5 | Low | 72 Ų | 72 | 42.2 Ų | 42.2 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 143.5 | -177.8 | -172.4 | 0.1 | 0 | 0 | 0 | 109.1 | A153 V160 K196 | D151-A153 PolarHBondContact O-N 3.5Å; D151-V160 PolarHBondContact N-O 2.97Å; D151-V160 PolarHBondContact O-N 3.44Å; D151-V160 VanDerWaalsContact O-N 3.12Å; D151-K196 IonicContact OD1-NZ 3.94Å; D151-K196 IonicContact OD2-NZ 2.91Å; D151-K196 PolarHBondContact OD2-NZ 3.47Å |
| 152 | A | 63.5 | Low | 66.6 | Low | 46 Ų | 46 | 44 Ų | 44 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T154 | A152-T154 PolarHBondContact O-N 3.22Å |
| 153 | A | 60.5 | Low | 66 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -94.6 | 92.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D151 S156 T158 V160 Y189 | D151-A153 PolarHBondContact O-N 3.5Å; A153-S156 CarbonylContact C-O 3.3Å; A153-S156 VanDerWaalsContact C-O 3.29Å; A153-S156 CarbonylContact O-C 3.53Å; A153-S156 PolarHBondContact O-N 3.38Å; A153-T158 PolarHBondContact N-O 3.43Å; A153-T158 VanDerWaalsContact N-O 3.15Å; A153-V160 HydrophobicContact CB-CG2 3.89Å; A153-Y189 HydrophobicContact CB-CD2 3.54Å; A153-Y189 HydrophobicContact CB-CE2 3.43Å; A153-Y189 VanDerWaalsContact CB-CE2 3.43Å | ||
| 154 | T | 58.1 | Low | 65.2 | Low | 99 Ų | 99 | 40.9 Ų | 40.9 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.5 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | A152 | A152-T154 PolarHBondContact O-N 3.22Š|
| 155 | P | 47.5 | Very low | 64.5 | Low | 78 Ų | 78 | 39.6 Ų | 39.6 | 51% | 0.506 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 2.3 | 10.7 | 36.8 | -33.3 | 0 | 0 | 0 | 114.8 | ||
| 156 | S | 56.3 | Low | 63.6 | Low | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92.7 | 140.6 | -179.5 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | A153 T158 E179 | A153-S156 CarbonylContact C-O 3.3Å; A153-S156 VanDerWaalsContact C-O 3.29Å; A153-S156 CarbonylContact O-C 3.53Å; A153-S156 PolarHBondContact O-N 3.38Å; S156-T158 VanDerWaalsContact CB-OG1 3.32Å; S156-T158 WeakPolarHBondContact CB-OG1 3.02Å; S156-T158 PolarHBondContact O-N 2.98Å; S156-T158 PolarHBondContact OG-OG1 3.4Å; S156-E179 PolarHBondContact OG-OE2 2.92Å |
| 157 | P | 50.9 | Low | 63.1 | Low | 109 Ų | 109 | 52.4 Ų | 52.4 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -70.2 | 4.6 | 172.2 | 30.1 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 158 | T | 58.9 | Low | 62.9 | Low | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 135.9 | 176.5 | 23.9 | 0 | 0 | 0 | 0 | 111.8 | A153 S156 E179 Y189 | A153-T158 PolarHBondContact N-O 3.43Å; A153-T158 VanDerWaalsContact N-O 3.15Å; S156-T158 VanDerWaalsContact CB-OG1 3.32Å; S156-T158 WeakPolarHBondContact CB-OG1 3.02Å; S156-T158 PolarHBondContact O-N 2.98Å; S156-T158 PolarHBondContact OG-OG1 3.4Å; T158-E179 HydrophobicContact CG2-CG 4.02Å; T158-E179 PolarHBondContact OG1-OE2 2.81Å; T158-Y189 WeakPolarHBondContact OG1-CE2 3.26Å |
| 159 | T | 58.4 | Low | 63.1 | Low | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.3 | -175 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | L129 W150 F161 | L129-T159 HydrophobicContact CD2-CG2 4.09Å; L129-T159 WeakPolarHBondContact CD2-OG1 3.4Å; W150-T159 HydrophobicContact CB-CG2 3.34Å; W150-T159 HydrophobicContact CG-CG2 3.66Å; T159-F161 HydrophobicContact CG2-CD1 4.27Å; T159-F161 HydrophobicContact CG2-CD2 4.44Å; T159-F161 HydrophobicContact CG2-CE1 3.65Å; T159-F161 HydrophobicContact CG2-CE2 3.82Å; T159-F161 HydrophobicContact CG2-CZ 3.4Å; T159-F161 VanDerWaalsContact O-CE2 3.28Å; T159-F161 WeakPolarHBondContact O-CE2 3.3Å |
| 160 | V | 61 | Low | 63.8 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.3 | 169.2 | 168.8 | 0 | 0 | 0 | 0 | 107.8 | W150 D151 A153 Y189 L193 | W150-V160 WeakPolarHBondContact CA-O 3.39Å; D151-V160 PolarHBondContact N-O 2.97Å; D151-V160 PolarHBondContact O-N 3.44Å; D151-V160 VanDerWaalsContact O-N 3.12Å; A153-V160 HydrophobicContact CB-CG2 3.89Å; V160-Y189 HydrophobicContact CG2-CE2 4.48Å; V160-L193 HydrophobicContact CB-CD1 4.27Å; V160-L193 HydrophobicContact CG1-CD1 3.31Å; V160-L193 HydrophobicContact CG2-CB 4.06Å; V160-L193 HydrophobicContact CG2-CD1 3.96Å |
| 161 | F | 66.5 | Low | 64.7 | Low | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.6 | 174.8 | -60.6 | -82 | 0 | 0 | 0 | 108.4 | L101 M127 L129 L148 W150 T159 A173 F174 | L101-F161 HydrophobicContact CD1-CD2 3.82Å; L101-F161 HydrophobicContact CD1-CE2 3.16Å; L101-F161 HydrophobicContact CD1-CZ 3.58Å; L101-F161 HydrophobicContact CD2-CE1 4.38Å; L101-F161 HydrophobicContact CD2-CE2 3.83Å; L101-F161 HydrophobicContact CD2-CZ 3.41Å; L101-F161 VanDerWaalsContact CD2-CZ 3.41Å; L101-F161 HydrophobicContact CG-CE2 4.12Å; L101-F161 HydrophobicContact CG-CZ 4.13Å; M127-F161 HydrophobicContact CE-CD1 4.47Å; M127-F161 HydrophobicContact CE-CE1 4.38Å; M127-F161 HydrophobicContact SD-CD1 4.03Å; M127-F161 HydrophobicContact SD-CE1 3.42Å; M127-F161 WeakPolarHBondContact SD-CE1 3.47Å; M127-F161 HydrophobicContact SD-CZ 4.33Å; L129-F161 HydrophobicContact CD2-CZ 4.23Å; L148-F161 HydrophobicContact CD1-CB 4.12Å; W150-F161 HydrophobicContact CB-CD1 3.8Å; W150-F161 HydrophobicContact CB-CE1 3.87Å; W150-F161 HydrophobicContact CG-CE1 4.24Å; T159-F161 HydrophobicContact CG2-CD1 4.27Å; T159-F161 HydrophobicContact CG2-CD2 4.44Å; T159-F161 HydrophobicContact CG2-CE1 3.65Å; T159-F161 HydrophobicContact CG2-CE2 3.82Å; T159-F161 HydrophobicContact CG2-CZ 3.4Å; T159-F161 VanDerWaalsContact O-CE2 3.28Å; T159-F161 WeakPolarHBondContact O-CE2 3.3Å; F161-A173 CarbonylContact O-C 3.51Å; F161-A173 WeakPolarHBondContact O-CA 3.27Å; F161-A173 VanDerWaalsContact O-CB 3.26Å; F161-A173 WeakPolarHBondContact O-CB 3.38Å; F161-F174 HydrophobicContact CB-CB 4.32Å; F161-F174 PolarHBondContact N-O 2.97Å; F161-F174 PolarHBondContact O-N 2.9Å |
| 162 | Y | 65.4 | Low | 65.8 | Low | 68 Ų | 68 | 50.7 Ų | 50.7 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.8 | 167.4 | 67.5 | -81 | 0 | 0 | 0 | 112.1 | S149 V172 | S149-Y162 PolarHBondContact N-O 3.44Å; S149-Y162 PolarHBondContact O-N 3.29Å; S149-Y162 VanDerWaalsContact O-O 3.12Å; Y162-V172 CarbonylContact C-O 3.59Å; Y162-V172 WeakPolarHBondContact CA-O 3.33Å; Y162-V172 VanDerWaalsContact CB-O 3.28Å; Y162-V172 WeakPolarHBondContact CB-O 3.44Å |
| 163 | A | 67.6 | Low | 67 | Low | 7 Ų | 7 | 48.5 Ų | 48.5 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T147 L148 V172 | T147-A163 VanDerWaalsContact O-CA 3.23Å; T147-A163 WeakPolarHBondContact O-CA 3.41Å; T147-A163 WeakPolarHBondContact O-CB 3.26Å; L148-A163 HydrophobicContact CD1-CB 4.2Å; A163-V172 HydrophobicContact CB-CG1 3.68Å; A163-V172 PolarHBondContact N-O 2.88Å; A163-V172 PolarHBondContact O-N 2.76Å |
| 164 | A | 65.1 | Low | 68.3 | Low | 44 Ų | 44 | 48.6 Ų | 48.6 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G170 I171 | A164-G170 WeakPolarHBondContact CA-O 3.29Å; A164-I171 HydrophobicContact CB-CG1 4.49Å |
| 165 | V | 64.3 | Low | 69.6 | Low | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | trans | -92.1 | 111.5 | 172.4 | 164.4 | 0 | 0 | 0 | 0 | 107.9 | Y87 H167 C168 G169 | Y87-V165 HydrophobicContact CE1-CB 4.49Å; Y87-V165 HydrophobicContact CE1-CG2 4.12Å; Y87-V165 WeakPolarHBondContact OH-CB 3.46Å; Y87-V165 WeakPolarHBondContact OH-CG2 3.42Å; Y87-V165 PolarHBondContact OH-N 3.47Å; Y87-V165 VanDerWaalsContact OH-N 3.09Å; V165-H167 HydrophobicContact CG1-CB 4.45Å; V165-H167 PolarHBondContact O-N 3.39Å; V165-C168 VanDerWaalsContact CB-SG 3.56Å; V165-C168 HydrophobicContact CG1-CB 4.43Å; V165-C168 PolarHBondContact O-N 3.06Å; V165-C168 VanDerWaalsContact O-N 3.13Å; V165-G169 PolarHBondContact O-N 2.67Å; V165-G169 VanDerWaalsContact O-N 3.13Å | ||
| 166 | K | 58.9 | Low | 71.5 | Confident | 206 Ų | 206 | 41.3 Ų | 41.3 | 90% | 0.896 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -29.4 | -176.5 | -81.6 | -173.5 | 175.5 | -177.9 | 0 | 114.3 | ||
| 167 | H | 66.5 | Low | 73 | Confident | 186 Ų | 186 | 40.2 Ų | 40.2 | 86% | 0.861 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.6 | -173.9 | -59.9 | -59.1 | 0 | 0 | 0 | 114.4 | V165 | V165-H167 HydrophobicContact CG1-CB 4.45Å; V165-H167 PolarHBondContact O-N 3.39Å |
| 168 | C | 70.9 | Confident | 74.7 | Confident | 40 Ų | 40 | 40.4 Ų | 40.4 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -16.3 | -178.6 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | R88 G90 V165 G170 | R88-C168 WeakPolarHBondContact O-CB 3.46Å; G90-C168 WeakPolarHBondContact CA-O 3.19Å; V165-C168 VanDerWaalsContact CB-SG 3.56Å; V165-C168 HydrophobicContact CG1-CB 4.43Å; V165-C168 PolarHBondContact O-N 3.06Å; V165-C168 VanDerWaalsContact O-N 3.13Å; C168-G170 PolarHBondContact O-N 3.37Å |
| 169 | G | 78.5 | Confident | 76 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | trans | 76.2 | -2.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V165 | V165-G169 PolarHBondContact O-N 2.67Å; V165-G169 VanDerWaalsContact O-N 3.13Å | ||
| 170 | G | 86.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -65.8 | 147.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y87 G91 A164 C168 | Y87-G170 VanDerWaalsContact CE2-O 3.25Å; Y87-G170 WeakPolarHBondContact CE2-O 2.93Å; Y87-G170 WeakPolarHBondContact O-CA 3.44Å; G91-G170 WeakPolarHBondContact O-CA 3.41Å; A164-G170 WeakPolarHBondContact CA-O 3.29Å; C168-G170 PolarHBondContact O-N 3.37Å | ||
| 171 | I | 88.7 | Confident | 78.8 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.2 | 177.8 | -59.8 | 170.7 | 0 | 0 | 0 | 108.1 | G91 I92 V93 A164 V197 | G91-I171 PolarHBondContact O-N 3.42Å; G91-I171 VanDerWaalsContact O-N 3.12Å; I92-I171 CarbonylContact C-O 3.58Å; I92-I171 VanDerWaalsContact CA-O 3.28Å; I92-I171 WeakPolarHBondContact CA-O 3.33Å; I92-I171 HydrophobicContact CG1-CB 4.36Å; I92-I171 HydrophobicContact CG2-CB 4.48Å; V93-I171 PolarHBondContact N-O 3.12Å; A164-I171 HydrophobicContact CB-CG1 4.49Å; I171-V197 WeakPolarHBondContact CD1-O 3.4Å; I171-V197 HydrophobicContact CG2-CB 3.91Å; I171-V197 HydrophobicContact CG2-CG1 4.08Å |
| 172 | V | 88.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.4 | 169.4 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | Y87 V93 F95 F112 Y162 A163 F174 | Y87-V172 HydrophobicContact CD2-CB 3.96Å; Y87-V172 HydrophobicContact CD2-CG1 4.39Å; Y87-V172 HydrophobicContact CE2-CB 4.04Å; Y87-V172 HydrophobicContact CE2-CG1 4Å; V93-V172 HydrophobicContact CB-CG2 4.4Å; V93-V172 CarbonylContact O-C 3.51Å; V93-V172 VanDerWaalsContact O-CA 3.24Å; V93-V172 WeakPolarHBondContact O-CA 3.4Å; F95-V172 HydrophobicContact CD2-CG2 3.8Å; F95-V172 HydrophobicContact CE2-CG2 3.56Å; F112-V172 HydrophobicContact CD1-CB 4.06Å; F112-V172 HydrophobicContact CD1-CG1 3.79Å; F112-V172 HydrophobicContact CD1-CG2 3.98Å; F112-V172 HydrophobicContact CD2-CG2 4.49Å; F112-V172 HydrophobicContact CE1-CB 3.88Å; F112-V172 HydrophobicContact CE1-CG1 4.09Å; F112-V172 HydrophobicContact CE1-CG2 3.86Å; F112-V172 HydrophobicContact CE2-CG2 4.42Å; F112-V172 HydrophobicContact CG-CG2 4.29Å; F112-V172 HydrophobicContact CZ-CG2 4.1Å; Y162-V172 CarbonylContact C-O 3.59Å; Y162-V172 WeakPolarHBondContact CA-O 3.33Å; Y162-V172 VanDerWaalsContact CB-O 3.28Å; Y162-V172 WeakPolarHBondContact CB-O 3.44Å; A163-V172 HydrophobicContact CB-CG1 3.68Å; A163-V172 PolarHBondContact N-O 2.88Å; A163-V172 PolarHBondContact O-N 2.76Å; V172-F174 HydrophobicContact CG2-CD2 4.5Å; V172-F174 HydrophobicContact CG2-CE2 3.72Å; V172-F174 HydrophobicContact CG2-CZ 4.07Å |
| 173 | A | 88.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V93 V94 F95 F161 L193 V197 | V93-A173 PolarHBondContact O-N 2.78Å; V94-A173 CarbonylContact C-O 3.46Å; V94-A173 WeakPolarHBondContact CA-O 3.22Å; V94-A173 HydrophobicContact CG1-CB 4.46Å; V94-A173 HydrophobicContact CG2-CB 4.37Å; F95-A173 PolarHBondContact N-O 3.37Å; F161-A173 CarbonylContact O-C 3.51Å; F161-A173 WeakPolarHBondContact O-CA 3.27Å; F161-A173 VanDerWaalsContact O-CB 3.26Å; F161-A173 WeakPolarHBondContact O-CB 3.38Å; A173-L193 HydrophobicContact CB-CD1 4.21Å; A173-V197 HydrophobicContact CB-CG1 3.6Å |
| 174 | F | 86.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.2 | 176.6 | -61.1 | -98.4 | 0 | 0 | 0 | 109.2 | W80 F95 Y97 L104 F112 F113 F161 V172 | W80-F174 HydrophobicContact CH2-CE1 4.13Å; W80-F174 HydrophobicContact CZ3-CE1 4.07Å; W80-F174 HydrophobicContact CZ3-CZ 4.44Å; F95-F174 HydrophobicContact CB-CD1 3.6Å; F95-F174 HydrophobicContact CB-CE1 3.83Å; F95-F174 HydrophobicContact CB-CG 4.35Å; F95-F174 HydrophobicContact CD2-CD1 4.04Å; F95-F174 AromaticContact CD2-CE1 3.52Å; F95-F174 HydrophobicContact CD2-CE1 3.52Å; F95-F174 HydrophobicContact CD2-CE2 4.3Å; F95-F174 AromaticContact CD2-CZ 3.67Å; F95-F174 HydrophobicContact CD2-CZ 3.67Å; F95-F174 HydrophobicContact CE2-CE1 4.3Å; F95-F174 HydrophobicContact CE2-CZ 4.14Å; F95-F174 HydrophobicContact CG-CD1 4.14Å; F95-F174 AromaticContact CG-CE1 3.84Å; F95-F174 HydrophobicContact CG-CE1 3.84Å; F95-F174 HydrophobicContact CG-CZ 4.44Å; F95-F174 WeakPolarHBondContact O-CA 3.06Å; Y97-F174 HydrophobicContact CE1-CB 4.45Å; L104-F174 HydrophobicContact CD1-CB 3.96Å; L104-F174 HydrophobicContact CD1-CD1 4.44Å; L104-F174 HydrophobicContact CD1-CG 4.33Å; L104-F174 HydrophobicContact CD2-CD1 4.08Å; F112-F174 HydrophobicContact CB-CZ 4.42Å; F112-F174 HydrophobicContact CD2-CZ 4.48Å; F113-F174 HydrophobicContact CE1-CE2 4.18Å; F113-F174 AromaticContact CE2-CE1 3.91Å; F113-F174 HydrophobicContact CE2-CE1 3.91Å; F113-F174 AromaticContact CE2-CE2 3.96Å; F113-F174 HydrophobicContact CE2-CE2 3.96Å; F113-F174 AromaticContact CE2-CZ 3.59Å; F113-F174 HydrophobicContact CE2-CZ 3.59Å; F113-F174 HydrophobicContact CZ-CD1 4.5Å; F113-F174 AromaticContact CZ-CD2 3.82Å; F113-F174 HydrophobicContact CZ-CD2 3.82Å; F113-F174 HydrophobicContact CZ-CE1 4.08Å; F113-F174 AromaticContact CZ-CE2 3.33Å; F113-F174 HydrophobicContact CZ-CE2 3.33Å; F113-F174 HydrophobicContact CZ-CG 4.39Å; F113-F174 AromaticContact CZ-CZ 3.48Å; F113-F174 HydrophobicContact CZ-CZ 3.48Å; F113-F174 VanDerWaalsContact CZ-CZ 3.48Å; F161-F174 HydrophobicContact CB-CB 4.32Å; F161-F174 PolarHBondContact N-O 2.97Å; F161-F174 PolarHBondContact O-N 2.9Å; V172-F174 HydrophobicContact CG2-CD2 4.5Å; V172-F174 HydrophobicContact CG2-CE2 3.72Å; V172-F174 HydrophobicContact CG2-CZ 4.07Å |
| 175 | S | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.4 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | F95 F96 Y97 F177 C180 Y189 | F95-S175 PolarHBondContact O-N 2.99Å; F96-S175 VanDerWaalsContact CA-O 3.27Å; F96-S175 WeakPolarHBondContact CA-O 3.41Å; Y97-S175 WeakPolarHBondContact CD1-O 3.45Å; Y97-S175 VanDerWaalsContact CE1-O 3.31Å; Y97-S175 WeakPolarHBondContact CE1-O 3.26Å; Y97-S175 PolarHBondContact N-O 3.46Å; Y97-S175 VanDerWaalsContact N-O 3.09Å; S175-F177 PolarHBondContact O-N 3.43Å; S175-C180 PolarHBondContact OG-SG 3.37Å; S175-C180 VanDerWaalsContact OG-SG 3.38Å; S175-Y189 WeakPolarHBondContact OG-CE1 3.35Å; S175-Y189 PolarHBondContact OG-OH 3.15Å |
| 176 | N | 85.8 | Confident | 82.9 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.9 | 173.9 | -176.2 | -72.2 | 0 | 0 | 0 | 110.1 | Y97 G99 Y178 E179 | Y97-N176 HydrophobicContact CE2-CB 4.08Å; G99-N176 PolarHBondContact O-ND2 2.71Å; N176-Y178 WeakPolarHBondContact OD1-CA 3.49Å; N176-Y178 WeakPolarHBondContact OD1-CB 3.06Å; N176-Y178 PolarHBondContact OD1-N 2.77Å; N176-E179 HydrophobicContact CB-CB 4.3Å; N176-E179 HydrophobicContact CB-CG 3.94Å; N176-E179 PolarHBondContact OD1-N 2.8Å |
| 177 | F | 88.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | -178.1 | 178.6 | -101.3 | 0 | 0 | 0 | 113.2 | N28 K31 L32 T70 F96 Y97 S175 C180 T181 | N28-F177 HydrophobicContact CB-CE1 3.83Å; N28-F177 HydrophobicContact CB-CE2 3.82Å; N28-F177 HydrophobicContact CB-CZ 3.36Å; N28-F177 VanDerWaalsContact CG-CE1 3.41Å; N28-F177 WeakPolarHBondContact O-CZ 3.44Å; N28-F177 VanDerWaalsContact OD1-CE1 3.25Å; N28-F177 WeakPolarHBondContact OD1-CE1 3.48Å; K31-F177 HydrophobicContact CB-CZ 4.23Å; L32-F177 HydrophobicContact CB-CE2 4.13Å; T70-F177 HydrophobicContact CG2-CD2 3.77Å; T70-F177 HydrophobicContact CG2-CE2 3.53Å; F96-F177 HydrophobicContact CB-CB 4.04Å; F96-F177 HydrophobicContact CB-CD2 3.92Å; F96-F177 HydrophobicContact CB-CG 4.49Å; F96-F177 HydrophobicContact CG-CD2 4.33Å; Y97-F177 WeakPolarHBondContact O-CB 3.01Å; Y97-F177 PolarHBondContact O-N 3Å; S175-F177 PolarHBondContact O-N 3.43Å; F177-C180 PolarHBondContact O-N 2.86Å; F177-T181 HydrophobicContact CD2-CG2 4.15Å; F177-T181 HydrophobicContact CE1-CG2 4.25Å; F177-T181 WeakPolarHBondContact CE1-OG1 3.36Å; F177-T181 HydrophobicContact CE2-CG2 3.65Å; F177-T181 HydrophobicContact CZ-CG2 3.68Å; F177-T181 WeakPolarHBondContact O-CG2 3.43Å; F177-T181 PolarHBondContact O-N 2.79Å; F177-T181 PolarHBondContact O-OG1 3.42Å |
| 178 | Y | 87.3 | Confident | 85 | Confident | 112 Ų | 112 | 40.5 Ų | 40.5 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.8 | -38.7 | -175.1 | -64.2 | -75.6 | 0 | 0 | 0 | 111.4 | S98 N176 C180 T181 S182 | S98-Y178 WeakPolarHBondContact O-CE2 3.41Å; N176-Y178 WeakPolarHBondContact OD1-CA 3.49Å; N176-Y178 WeakPolarHBondContact OD1-CB 3.06Å; N176-Y178 PolarHBondContact OD1-N 2.77Å; Y178-C180 PolarHBondContact O-N 3.38Å; Y178-T181 PolarHBondContact O-N 3.07Å; Y178-S182 WeakPolarHBondContact O-CA 3.4Å; Y178-S182 WeakPolarHBondContact O-CB 3.32Å; Y178-S182 PolarHBondContact O-N 2.88Å |
| 179 | E | 85.9 | Confident | 85.7 | Confident | 68 Ų | 68 | 38.7 Ų | 38.7 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.7 | -32.4 | 173.8 | -63.8 | -69.4 | 147.5 | 0 | 0 | 112.1 | S156 T158 N176 S186 Y189 | S156-E179 PolarHBondContact OG-OE2 2.92Å; T158-E179 HydrophobicContact CG2-CG 4.02Å; T158-E179 PolarHBondContact OG1-OE2 2.81Å; N176-E179 HydrophobicContact CB-CB 4.3Å; N176-E179 HydrophobicContact CB-CG 3.94Å; N176-E179 PolarHBondContact OD1-N 2.8Å; E179-S186 WeakPolarHBondContact O-CA 3.41Å; E179-S186 WeakPolarHBondContact O-CB 3.47Å; E179-Y189 HydrophobicContact CB-CD1 3.85Å; E179-Y189 HydrophobicContact CB-CE1 3.73Å; E179-Y189 HydrophobicContact CB-CG 4.36Å |
| 180 | C | 88 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.2 | -15.3 | 178.5 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | S35 F96 S175 F177 Y178 Y189 L190 | S35-C180 PolarHBondContact OG-O 3.39Å; F96-C180 HydrophobicContact CD1-CB 4.39Å; F96-C180 HydrophobicContact CE1-CB 3.97Å; F96-C180 WeakPolarHBondContact CE1-SG 3.42Å; S175-C180 PolarHBondContact OG-SG 3.37Å; S175-C180 VanDerWaalsContact OG-SG 3.38Å; F177-C180 PolarHBondContact O-N 2.86Å; Y178-C180 PolarHBondContact O-N 3.38Å; C180-Y189 HydrophobicContact CB-CD1 4.5Å; C180-Y189 WeakPolarHBondContact SG-CD1 3.25Å; C180-Y189 WeakPolarHBondContact SG-CE1 3.5Å; C180-L190 HydrophobicContact CB-CB 4.32Å; C180-L190 HydrophobicContact CB-CD1 4.17Å |
| 181 | T | 88.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -130.4 | -12.9 | -168.1 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | L32 F177 Y178 | L32-T181 HydrophobicContact CB-CG2 4.47Å; L32-T181 HydrophobicContact CD1-CG2 4.35Å; F177-T181 HydrophobicContact CD2-CG2 4.15Å; F177-T181 HydrophobicContact CE1-CG2 4.25Å; F177-T181 WeakPolarHBondContact CE1-OG1 3.36Å; F177-T181 HydrophobicContact CE2-CG2 3.65Å; F177-T181 HydrophobicContact CZ-CG2 3.68Å; F177-T181 WeakPolarHBondContact O-CG2 3.43Å; F177-T181 PolarHBondContact O-N 2.79Å; F177-T181 PolarHBondContact O-OG1 3.42Å; Y178-T181 PolarHBondContact O-N 3.07Å |
| 182 | S | 86.6 | Confident | 86.1 | Confident | 55 Ų | 55 | 38 Ų | 38 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -132.9 | 133.6 | -171.7 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | Y178 S186 | Y178-S182 WeakPolarHBondContact O-CA 3.4Å; Y178-S182 WeakPolarHBondContact O-CB 3.32Å; Y178-S182 PolarHBondContact O-N 2.88Å; S182-S186 WeakPolarHBondContact O-CB 3.27Å |
| 183 | G | 82.9 | Confident | 86 | Confident | 61 Ų | 61 | 38 Ų | 38 | 63% | 0.629 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 93.1 | 167.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G185 S186 | G183-G185 VanDerWaalsContact C-N 3.32Å; G183-G185 PolarHBondContact O-N 3.3Å; G183-S186 WeakPolarHBondContact O-CB 3.38Å; G183-S186 PolarHBondContact O-N 2.92Å; G183-S186 PolarHBondContact O-OG 3.19Å |
| 184 | E | 78.4 | Confident | 86.1 | Confident | 209 Ų | 209 | 38 Ų | 38 | 98% | 0.977 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.8 | -169 | -163.5 | 173.3 | -179.2 | 0 | 0 | 113.5 | ||
| 185 | G | 81.2 | Confident | 86.1 | Confident | 29 Ų | 29 | 41 Ų | 41 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G183 A187 Q188 Y189 | G183-G185 VanDerWaalsContact C-N 3.32Å; G183-G185 PolarHBondContact O-N 3.3Å; G185-A187 PolarHBondContact O-N 3.17Å; G185-Q188 PolarHBondContact O-N 3.1Å; G185-Q188 VanDerWaalsContact O-N 3.09Å; G185-Y189 PolarHBondContact O-N 3.24Å |
| 186 | S | 87.2 | Confident | 85.9 | Confident | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | -165.9 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | E179 S182 G183 Q188 Y189 L190 | E179-S186 WeakPolarHBondContact O-CA 3.41Å; E179-S186 WeakPolarHBondContact O-CB 3.47Å; S182-S186 WeakPolarHBondContact O-CB 3.27Å; G183-S186 WeakPolarHBondContact O-CB 3.38Å; G183-S186 PolarHBondContact O-N 2.92Å; G183-S186 PolarHBondContact O-OG 3.19Å; S186-Q188 VanDerWaalsContact C-N 3.32Å; S186-Q188 PolarHBondContact O-N 3.25Å; S186-Y189 PolarHBondContact O-N 3.29Å; S186-L190 WeakPolarHBondContact O-CB 3.18Å; S186-L190 PolarHBondContact O-N 2.75Å |
| 187 | A | 86 | Confident | 85.9 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | C39 G185 R191 | C39-A187 PolarHBondContact SG-O 2.67Å; G185-A187 PolarHBondContact O-N 3.17Å; A187-R191 WeakPolarHBondContact O-CB 3.48Å; A187-R191 VanDerWaalsContact O-CG 3.28Å; A187-R191 WeakPolarHBondContact O-CG 3.3Å; A187-R191 PolarHBondContact O-N 2.74Å |
| 188 | Q | 84 | Confident | 85.8 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 176.9 | -173.3 | 174.4 | 3.4 | 0 | 0 | 111.2 | G185 S186 R191 S192 | G185-Q188 PolarHBondContact O-N 3.1Å; G185-Q188 VanDerWaalsContact O-N 3.09Å; S186-Q188 VanDerWaalsContact C-N 3.32Å; S186-Q188 PolarHBondContact O-N 3.25Å; Q188-R191 PolarHBondContact O-N 2.83Å; Q188-S192 PolarHBondContact O-N 3.11Å |
| 189 | Y | 85.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 174.4 | -177.8 | -95.3 | 0 | 0 | 0 | 111.3 | A153 T158 V160 S175 E179 C180 G185 S186 R191 S192 L193 | A153-Y189 HydrophobicContact CB-CD2 3.54Å; A153-Y189 HydrophobicContact CB-CE2 3.43Å; A153-Y189 VanDerWaalsContact CB-CE2 3.43Å; T158-Y189 WeakPolarHBondContact OG1-CE2 3.26Å; V160-Y189 HydrophobicContact CG2-CE2 4.48Å; S175-Y189 WeakPolarHBondContact OG-CE1 3.35Å; S175-Y189 PolarHBondContact OG-OH 3.15Å; E179-Y189 HydrophobicContact CB-CD1 3.85Å; E179-Y189 HydrophobicContact CB-CE1 3.73Å; E179-Y189 HydrophobicContact CB-CG 4.36Å; C180-Y189 HydrophobicContact CB-CD1 4.5Å; C180-Y189 WeakPolarHBondContact SG-CD1 3.25Å; C180-Y189 WeakPolarHBondContact SG-CE1 3.5Å; G185-Y189 PolarHBondContact O-N 3.24Å; S186-Y189 PolarHBondContact O-N 3.29Å; Y189-R191 PolarHBondContact O-N 2.86Å; Y189-S192 WeakPolarHBondContact O-CB 3.38Å; Y189-S192 PolarHBondContact O-N 2.86Å; Y189-L193 PolarHBondContact O-N 3.5Å |
| 190 | L | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 177 | -178.1 | 58.5 | 0 | 0 | 0 | 112.3 | L36 C39 F96 C180 S186 S192 L193 L194 | L36-L190 HydrophobicContact CD2-CD1 4.41Å; L36-L190 HydrophobicContact CD2-CD2 4.02Å; L36-L190 HydrophobicContact CG-CD2 4.38Å; C39-L190 HydrophobicContact CB-CD2 4.4Å; C39-L190 HydrophobicContact CB-CG 4.42Å; F96-L190 HydrophobicContact CE1-CD1 4.47Å; F96-L190 HydrophobicContact CZ-CD1 4.16Å; C180-L190 HydrophobicContact CB-CB 4.32Å; C180-L190 HydrophobicContact CB-CD1 4.17Å; S186-L190 WeakPolarHBondContact O-CB 3.18Å; S186-L190 PolarHBondContact O-N 2.75Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.36Å; L190-L193 HydrophobicContact CD1-CD2 4.15Å; L190-L193 PolarHBondContact O-N 3.45Å; L190-L194 HydrophobicContact CD1-CD1 3.88Å; L190-L194 HydrophobicContact CD1-CD2 4.34Å; L190-L194 HydrophobicContact CD1-CG 3.86Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.74Å; L190-L194 HydrophobicContact CG-CG 4.2Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 3.31Å |
| 191 | R | 87.7 | Confident | 85.8 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 18% | 0.177 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.8 | -76.7 | -179.2 | -164.1 | 120.7 | 3 | 112.3 | T38 C39 A187 Q188 Y189 L194 S195 V201 | T38-R191 PolarHBondContact O-NH2 3.42Å; C39-R191 HydrophobicContact CB-CG 3.8Å; A187-R191 WeakPolarHBondContact O-CB 3.48Å; A187-R191 VanDerWaalsContact O-CG 3.28Å; A187-R191 WeakPolarHBondContact O-CG 3.3Å; A187-R191 PolarHBondContact O-N 2.74Å; Q188-R191 PolarHBondContact O-N 2.83Å; Y189-R191 PolarHBondContact O-N 2.86Å; R191-L194 PolarHBondContact O-N 3.46Å; R191-S195 WeakPolarHBondContact O-CB 3.27Å; R191-S195 PolarHBondContact O-N 3.4Å; R191-V201 HydrophobicContact CG-CB 4.45Å |
| 192 | S | 84.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 177.5 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | Q188 Y189 L190 K196 | Q188-S192 PolarHBondContact O-N 3.11Å; Y189-S192 WeakPolarHBondContact O-CB 3.38Å; Y189-S192 PolarHBondContact O-N 2.86Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.36Å; S192-K196 WeakPolarHBondContact O-CB 3.49Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.32Å; S192-K196 PolarHBondContact O-N 3.39Å; S192-K196 WeakPolarHBondContact OG-CE 3.49Å |
| 193 | L | 86.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.3 | -55.4 | 173.9 | 167.9 | 63.1 | 0 | 0 | 0 | 111.8 | V94 F96 V160 A173 Y189 L190 S195 K196 V197 | V94-L193 HydrophobicContact CG1-CD2 4.06Å; F96-L193 HydrophobicContact CE1-CD2 3.75Å; F96-L193 HydrophobicContact CZ-CD2 4.1Å; V160-L193 HydrophobicContact CB-CD1 4.27Å; V160-L193 HydrophobicContact CG1-CD1 3.31Å; V160-L193 HydrophobicContact CG2-CB 4.06Å; V160-L193 HydrophobicContact CG2-CD1 3.96Å; A173-L193 HydrophobicContact CB-CD1 4.21Å; Y189-L193 PolarHBondContact O-N 3.5Å; L190-L193 HydrophobicContact CD1-CD2 4.15Å; L190-L193 PolarHBondContact O-N 3.45Å; L193-S195 PolarHBondContact O-N 2.9Å; L193-K196 PolarHBondContact O-N 2.8Å; L193-V197 HydrophobicContact CD1-CG1 4.13Å; L193-V197 WeakPolarHBondContact O-CG2 3.47Å; L193-V197 PolarHBondContact O-N 3.09Å |
| 194 | L | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | -175 | -70.3 | 172.5 | 0 | 0 | 0 | 112.1 | L36 C39 L40 L68 L190 R191 K196 V197 G198 F199 V201 | L36-L194 HydrophobicContact CD2-CD1 3.71Å; L36-L194 HydrophobicContact CD2-CD2 4.24Å; C39-L194 HydrophobicContact CB-CD1 3.85Å; L40-L194 HydrophobicContact CD2-CD1 3.91Å; L40-L194 HydrophobicContact CG-CD1 4.11Å; L68-L194 HydrophobicContact CD2-CD2 4.2Å; L190-L194 HydrophobicContact CD1-CD1 3.88Å; L190-L194 HydrophobicContact CD1-CD2 4.34Å; L190-L194 HydrophobicContact CD1-CG 3.86Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.74Å; L190-L194 HydrophobicContact CG-CG 4.2Å; L190-L194 WeakPolarHBondContact O-CB 3.47Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 3.31Å; R191-L194 PolarHBondContact O-N 3.46Å; L194-K196 PolarHBondContact O-N 2.77Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 2.67Å; L194-G198 PolarHBondContact O-N 2.93Å; L194-F199 HydrophobicContact CB-CB 4.1Å; L194-F199 HydrophobicContact CB-CD2 4.28Å; L194-F199 HydrophobicContact CD2-CD2 3.57Å; L194-F199 HydrophobicContact CD2-CE2 3.99Å; L194-F199 HydrophobicContact CD2-CG 4.3Å; L194-F199 WeakPolarHBondContact O-CB 3.44Å; L194-F199 PolarHBondContact O-N 3.27Å; L194-V201 HydrophobicContact CB-CG1 3.54Å; L194-V201 HydrophobicContact CD1-CG1 4.45Å |
| 195 | S | 86.6 | Confident | 83.6 | Confident | 66 Ų | 66 | 39 Ų | 39 | 46% | 0.462 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | R191 L193 V197 G198 | R191-S195 WeakPolarHBondContact O-CB 3.27Å; R191-S195 PolarHBondContact O-N 3.4Å; L193-S195 PolarHBondContact O-N 2.9Å; S195-V197 PolarHBondContact O-N 2.88Å; S195-G198 PolarHBondContact O-N 3.1Å; S195-G198 VanDerWaalsContact O-N 3.1Å |
| 196 | K | 82.3 | Confident | 82.8 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 179.7 | -74.5 | -179.9 | -169.5 | -166.4 | 0 | 112.9 | D151 S192 L193 L194 G198 | D151-K196 IonicContact OD1-NZ 3.94Å; D151-K196 IonicContact OD2-NZ 2.91Å; D151-K196 PolarHBondContact OD2-NZ 3.47Å; S192-K196 WeakPolarHBondContact O-CB 3.49Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.32Å; S192-K196 PolarHBondContact O-N 3.39Å; S192-K196 WeakPolarHBondContact OG-CE 3.49Å; L193-K196 PolarHBondContact O-N 2.8Å; L194-K196 PolarHBondContact O-N 2.77Å; K196-G198 PolarHBondContact O-N 3.28Å |
| 197 | V | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.4 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | I92 V94 I171 A173 L193 L194 S195 F199 | I92-V197 VanDerWaalsContact CD1-O 3.26Å; I92-V197 WeakPolarHBondContact CD1-O 3.23Å; I92-V197 HydrophobicContact CG2-CB 4Å; I92-V197 HydrophobicContact CG2-CG2 3.89Å; V94-V197 HydrophobicContact CG2-CG2 4.27Å; I171-V197 WeakPolarHBondContact CD1-O 3.4Å; I171-V197 HydrophobicContact CG2-CB 3.91Å; I171-V197 HydrophobicContact CG2-CG1 4.08Å; A173-V197 HydrophobicContact CB-CG1 3.6Å; L193-V197 HydrophobicContact CD1-CG1 4.13Å; L193-V197 WeakPolarHBondContact O-CG2 3.47Å; L193-V197 PolarHBondContact O-N 3.09Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 2.67Å; S195-V197 PolarHBondContact O-N 2.88Å; V197-F199 HydrophobicContact CG2-CD2 3.53Å; V197-F199 HydrophobicContact CG2-CE2 3.83Å |
| 198 | G | 86 | Confident | 80.2 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 7.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L194 S195 K196 | L194-G198 PolarHBondContact O-N 2.93Å; S195-G198 PolarHBondContact O-N 3.1Å; S195-G198 VanDerWaalsContact O-N 3.1Å; K196-G198 PolarHBondContact O-N 3.28Å |
| 199 | F | 89.4 | Confident | 79 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | trans | -77.4 | 142.4 | 171.3 | -70.2 | -73.6 | 0 | 0 | 0 | 111.7 | V17 L40 Y45 I65 L68 I92 L194 V197 V201 | V17-F199 HydrophobicContact CG2-CD1 4.37Å; V17-F199 HydrophobicContact CG2-CE1 3.7Å; V17-F199 HydrophobicContact CG2-CZ 4.41Å; L40-F199 HydrophobicContact CD2-CB 3.86Å; L40-F199 HydrophobicContact CD2-CD1 4.22Å; L40-F199 HydrophobicContact CD2-CG 4.1Å; Y45-F199 HydrophobicContact CD1-CD1 4.48Å; Y45-F199 HydrophobicContact CE1-CD1 4.01Å; Y45-F199 HydrophobicContact CE1-CE1 4.49Å; Y45-F199 HydrophobicContact CE2-CD1 4.39Å; Y45-F199 AromaticContact CZ-CD1 3.97Å; I65-F199 HydrophobicContact CG2-CE1 3.91Å; L68-F199 HydrophobicContact CD1-CE2 4.08Å; L68-F199 HydrophobicContact CD1-CZ 3.99Å; I92-F199 HydrophobicContact CB-CE2 4.34Å; I92-F199 HydrophobicContact CB-CZ 4.25Å; I92-F199 HydrophobicContact CD1-CE1 4.36Å; I92-F199 HydrophobicContact CD1-CE2 4.24Å; I92-F199 HydrophobicContact CD1-CZ 4.16Å; I92-F199 HydrophobicContact CG2-CE2 3.71Å; I92-F199 HydrophobicContact CG2-CZ 4.1Å; L194-F199 HydrophobicContact CB-CB 4.1Å; L194-F199 HydrophobicContact CB-CD2 4.28Å; L194-F199 HydrophobicContact CD2-CD2 3.57Å; L194-F199 HydrophobicContact CD2-CE2 3.99Å; L194-F199 HydrophobicContact CD2-CG 4.3Å; L194-F199 WeakPolarHBondContact O-CB 3.44Å; L194-F199 PolarHBondContact O-N 3.27Å; V197-F199 HydrophobicContact CG2-CD2 3.53Å; V197-F199 HydrophobicContact CG2-CE2 3.83Å; F199-V201 PolarHBondContact O-N 3.04Å | ||
| 200 | S | 85 | Confident | 78.1 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | trans | -73 | 112.5 | 167.1 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | Y45 | Y45-S200 WeakPolarHBondContact CE2-O 3.48Å; Y45-S200 WeakPolarHBondContact OH-CB 3.39Å; Y45-S200 PolarHBondContact OH-N 2.8Å | ||
| 201 | V | 86.8 | Confident | 77.6 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 142.3 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | C39 R191 L194 F199 | C39-V201 CarbonylContact O-C 3.57Å; C39-V201 WeakPolarHBondContact O-CA 3.4Å; R191-V201 HydrophobicContact CG-CB 4.45Å; L194-V201 HydrophobicContact CB-CG1 3.54Å; L194-V201 HydrophobicContact CD1-CG1 4.45Å; F199-V201 PolarHBondContact O-N 3.04Å |
| 202 | R | 78.8 | Confident | 77.4 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 142.6 | 173.2 | 177 | -178.2 | -89.1 | -176.3 | -5.5 | 110.2 | N37 C39 Y206 | N37-R202 PolarHBondContact O-NH1 3.45Å; C39-R202 PolarHBondContact O-N 3.49Å; R202-Y206 HydrophobicContact CG-CD1 3.87Å; R202-Y206 HydrophobicContact CG-CD2 3.88Å; R202-Y206 HydrophobicContact CG-CG 3.43Å; R202-Y206 VanDerWaalsContact CG-CG 3.43Å; R202-Y206 VanDerWaalsContact NE-CD1 3.3Å; R202-Y206 VanDerWaalsContact NE-CE1 3.28Å; R202-Y206 VanDerWaalsContact NH2-CE1 3.34Å; R202-Y206 PolarHBondContact NH2-OH 3.25Å |
| 203 | S | 73.1 | Confident | 77.6 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 47% | 0.469 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 141 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | T205 Y206 | S203-T205 PolarHBondContact O-N 2.82Å; S203-T205 VanDerWaalsContact O-N 3.17Å; S203-T205 PolarHBondContact OG-N 3.49Å; S203-T205 PolarHBondContact OG-OG1 3.33Å; S203-Y206 WeakPolarHBondContact O-CB 3.34Å; S203-Y206 PolarHBondContact O-N 2.84Å |
| 204 | A | 70.8 | Confident | 77.6 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y206 | A204-Y206 VanDerWaalsContact C-N 3.35Š|
| 205 | T | 68 | Low | 77.5 | Confident | 120 Ų | 120 | 49.6 Ų | 49.6 | 74% | 0.736 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.4 | 176.5 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | S203 Q207 | S203-T205 PolarHBondContact O-N 2.82Å; S203-T205 VanDerWaalsContact O-N 3.17Å; S203-T205 PolarHBondContact OG-N 3.49Å; S203-T205 PolarHBondContact OG-OG1 3.33Å; T205-Q207 PolarHBondContact O-N 2.87Å |
| 206 | Y | 64 | Low | 77.7 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 119.3 | 177.5 | -177.5 | -82.5 | 0 | 0 | 0 | 110 | R202 S203 A204 P208 Y340 | R202-Y206 HydrophobicContact CG-CD1 3.87Å; R202-Y206 HydrophobicContact CG-CD2 3.88Å; R202-Y206 HydrophobicContact CG-CG 3.43Å; R202-Y206 VanDerWaalsContact CG-CG 3.43Å; R202-Y206 VanDerWaalsContact NE-CD1 3.3Å; R202-Y206 VanDerWaalsContact NE-CE1 3.28Å; R202-Y206 VanDerWaalsContact NH2-CE1 3.34Å; R202-Y206 PolarHBondContact NH2-OH 3.25Å; S203-Y206 WeakPolarHBondContact O-CB 3.34Å; S203-Y206 PolarHBondContact O-N 2.84Å; A204-Y206 VanDerWaalsContact C-N 3.35Å; Y206-P208 HydrophobicContact CE1-CB 4.4Å; Y206-Y340 PolarHBondContact OH-O 2.8Å |
| 207 | Q | 59.8 | Low | 78 | Confident | 168 Ų | 168 | 44.7 Ų | 44.7 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 134.6 | 163.5 | -66 | -165 | -13.6 | 0 | 0 | 108.7 | T205 | T205-Q207 PolarHBondContact O-N 2.87Š|
| 208 | P | 59 | Low | 78.2 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -56 | 136.4 | 168.5 | 24.1 | -30 | 0 | 0 | 0 | 107.9 | Y206 A210 | Y206-P208 HydrophobicContact CE1-CB 4.4Å; P208-A210 PolarHBondContact O-N 3.15Å |
| 209 | P | 57.8 | Low | 78.3 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 132.9 | -174.8 | 32.1 | -43.2 | 0 | 0 | 0 | 110.4 | V317 Y340 | P209-V317 HydrophobicContact CB-CG1 3.69Å; P209-V317 HydrophobicContact CG-CG1 3.99Å; P209-Y340 HydrophobicContact CB-CD1 4.01Å; P209-Y340 HydrophobicContact CB-CD2 4.17Å; P209-Y340 HydrophobicContact CB-CG 3.59Å; P209-Y340 HydrophobicContact CG-CG 4.18Å |
| 210 | A | 68.4 | Low | 78.3 | Confident | 75 Ų | 75 | 53 Ų | 53 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -64 | 140.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P208 T212 | P208-A210 PolarHBondContact O-N 3.15Å; A210-T212 PolarHBondContact O-N 3.05Å |
| 211 | Y | 78.7 | Confident | 78.4 | Confident | 26 Ų | 26 | 59 Ų | 59 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.9 | 172.9 | -75.1 | 8.8 | 0 | 0 | 0 | 109.1 | M241 T256 S257 V317 M318 N319 | Y211-M241 HydrophobicContact CD2-CE 4.07Å; Y211-M241 HydrophobicContact CE2-CE 3.7Å; Y211-T256 VanDerWaalsContact CB-CG2 3.42Å; Y211-T256 WeakPolarHBondContact O-CB 3.44Å; Y211-T256 VanDerWaalsContact O-CG2 3.25Å; Y211-T256 WeakPolarHBondContact O-CG2 3.2Å; Y211-S257 VanDerWaalsContact CD2-O 3.28Å; Y211-S257 WeakPolarHBondContact CD2-O 3.24Å; Y211-V317 WeakPolarHBondContact CA-O 3.45Å; Y211-M318 HydrophobicContact CD1-CB 4.36Å; Y211-M318 HydrophobicContact CE1-CB 4.29Å; Y211-N319 HydrophobicContact CE1-CB 3.71Å; Y211-N319 WeakPolarHBondContact OH-CB 3.32Å; Y211-N319 PolarHBondContact OH-N 2.87Å |
| 212 | T | 83.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 151.5 | 174 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | A210 L279 I282 V315 P316 V317 | A210-T212 PolarHBondContact O-N 3.05Å; T212-L279 HydrophobicContact CG2-CD2 3.68Å; T212-I282 HydrophobicContact CG2-CD1 3.91Å; T212-V315 WeakPolarHBondContact O-CG1 3.04Å; T212-P316 WeakPolarHBondContact OG1-CD 3.5Å; T212-V317 HydrophobicContact CG2-CB 3.75Å; T212-V317 HydrophobicContact CG2-CG2 3.58Å; T212-V317 PolarHBondContact N-O 3.46Å; T212-V317 VanDerWaalsContact N-O 3.13Å; T212-V317 PolarHBondContact OG1-N 3.1Å |
| 213 | P | 87.7 | Confident | 78.9 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 146.3 | 168.1 | -23.9 | 32.9 | 0 | 0 | 0 | 112.2 | L249 T256 P262 L275 | P213-L249 HydrophobicContact CB-CD1 4Å; P213-L249 HydrophobicContact CB-CD2 3.88Å; P213-L249 HydrophobicContact CG-CD1 4.1Å; P213-L249 HydrophobicContact CG-CD2 4.34Å; P213-T256 WeakPolarHBondContact CD-OG1 3.38Å; P213-T256 WeakPolarHBondContact CG-OG1 3.2Å; P213-P262 WeakPolarHBondContact CA-O 3.47Å; P213-P262 HydrophobicContact CB-CG 4.17Å; P213-P262 HydrophobicContact CG-CG 4.39Å; P213-L275 HydrophobicContact CB-CD1 4.1Å |
| 214 | G | 88.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 163.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P262 V263 L264 Y314 | G214-P262 PolarHBondContact N-O 3.26Å; G214-V263 WeakPolarHBondContact O-CA 3.47Å; G214-L264 PolarHBondContact O-N 2.93Å; G214-Y314 CarbonylContact C-O 3.29Å; G214-Y314 VanDerWaalsContact CA-O 3.28Å; G214-Y314 WeakPolarHBondContact CA-O 3.38Å |
| 215 | R | 88.1 | Confident | 80.2 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.7 | 171 | -173.8 | 167.8 | -177.4 | 172.9 | 2.7 | 110.5 | F217 L264 T272 L275 L313 Y314 | R215-F217 HydrophobicContact CB-CE2 4.32Å; R215-F217 HydrophobicContact CB-CZ 4.48Å; R215-F217 HydrophobicContact CG-CE1 4.21Å; R215-F217 HydrophobicContact CG-CE2 4.17Å; R215-F217 HydrophobicContact CG-CZ 3.99Å; R215-L264 CarbonylContact C-O 3.59Å; R215-L264 WeakPolarHBondContact CA-O 3.16Å; R215-T272 PolarHBondContact NH1-OG1 2.89Å; R215-T272 PolarHBondContact NH2-OG1 3.48Å; R215-L275 HydrophobicContact CB-CD2 4Å; R215-L313 CarbonylContact O-C 3.53Å; R215-L313 WeakPolarHBondContact O-CA 3.36Å; R215-Y314 PolarHBondContact N-O 2.85Å; R215-Y314 PolarHBondContact O-N 3.41Å |
| 216 | L | 90 | Very high | 81.2 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115 | 176.2 | -159.7 | 71.8 | 0 | 0 | 0 | 109.7 | I218 F230 F245 V263 L264 V265 V311 V312 L313 | L216-I218 HydrophobicContact CD2-CD1 3.9Å; L216-I218 HydrophobicContact CD2-CG1 4.33Å; L216-I218 HydrophobicContact CG-CD1 4.34Å; L216-I218 HydrophobicContact CG-CG1 4.27Å; L216-F230 HydrophobicContact CD2-CB 4.09Å; L216-F230 HydrophobicContact CD2-CD1 4.11Å; L216-F230 HydrophobicContact CD2-CD2 3.44Å; L216-F230 VanDerWaalsContact CD2-CD2 3.44Å; L216-F230 HydrophobicContact CD2-CE1 4.45Å; L216-F230 HydrophobicContact CD2-CE2 3.83Å; L216-F230 HydrophobicContact CD2-CG 3.61Å; L216-F230 HydrophobicContact CD2-CZ 4.32Å; L216-F245 HydrophobicContact CD1-CE1 4.43Å; L216-F245 HydrophobicContact CD2-CD1 4.31Å; L216-F245 HydrophobicContact CD2-CE1 4.22Å; L216-V263 HydrophobicContact CB-CG1 3.88Å; L216-L264 PolarHBondContact N-O 2.96Å; L216-V265 HydrophobicContact CB-CG2 4.17Å; L216-V265 HydrophobicContact CD2-CG1 4.15Å; L216-V265 HydrophobicContact CD2-CG2 3.91Å; L216-V311 HydrophobicContact CD1-CG1 3.7Å; L216-V311 HydrophobicContact CD2-CG1 4.31Å; L216-V311 HydrophobicContact CG-CG1 4.08Å; L216-V312 CarbonylContact C-O 3.47Å; L216-V312 WeakPolarHBondContact CA-O 3.47Å; L216-L313 HydrophobicContact CD1-CB 4.09Å |
| 217 | F | 88.8 | Confident | 82.5 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133 | 169.7 | -57.5 | -79.2 | 0 | 0 | 0 | 109.5 | R215 F294 F300 V312 Y314 | R215-F217 HydrophobicContact CB-CE2 4.32Å; R215-F217 HydrophobicContact CB-CZ 4.48Å; R215-F217 HydrophobicContact CG-CE1 4.21Å; R215-F217 HydrophobicContact CG-CE2 4.17Å; R215-F217 HydrophobicContact CG-CZ 3.99Å; F217-F294 HydrophobicContact CD2-CD1 4.12Å; F217-F294 HydrophobicContact CD2-CE1 4.19Å; F217-F294 AromaticContact CE2-CD1 3.79Å; F217-F294 HydrophobicContact CE2-CD1 3.79Å; F217-F294 HydrophobicContact CE2-CE1 4.34Å; F217-F294 HydrophobicContact CZ-CD1 4.45Å; F217-F300 HydrophobicContact CB-CE2 3.97Å; F217-F300 HydrophobicContact CB-CZ 4.17Å; F217-V312 HydrophobicContact CB-CB 4.25Å; F217-V312 PolarHBondContact N-O 2.66Å; F217-V312 PolarHBondContact O-N 3.06Å; F217-Y314 HydrophobicContact CE2-CD1 4.06Å; F217-Y314 HydrophobicContact CE2-CG 4.16Å |
| 218 | I | 89.4 | Confident | 83.9 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.3 | -179.4 | -62.2 | 165 | 0 | 0 | 0 | 108 | L216 Q220 L222 A223 L226 E227 F230 K310 V311 | L216-I218 HydrophobicContact CD2-CD1 3.9Å; L216-I218 HydrophobicContact CD2-CG1 4.33Å; L216-I218 HydrophobicContact CG-CD1 4.34Å; L216-I218 HydrophobicContact CG-CG1 4.27Å; I218-Q220 PolarHBondContact O-N 3.46Å; I218-L222 HydrophobicContact CG2-CB 3.97Å; I218-A223 HydrophobicContact CG2-CB 4.37Å; I218-L226 HydrophobicContact CD1-CB 3.93Å; I218-L226 HydrophobicContact CG2-CB 4.18Å; I218-L226 HydrophobicContact CG2-CD1 4.07Å; I218-E227 HydrophobicContact CD1-CB 4.45Å; I218-E227 HydrophobicContact CD1-CG 3.66Å; I218-F230 HydrophobicContact CD1-CD2 4.11Å; I218-F230 HydrophobicContact CD1-CE2 4.4Å; I218-K310 WeakPolarHBondContact CA-O 3.03Å; I218-V311 HydrophobicContact CG1-CG1 4.16Å; I218-V311 HydrophobicContact CG1-CG2 4.33Å |
| 219 | E | 90 | Very high | 85.3 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | trans | -56.2 | 137.3 | 174.7 | -177.8 | 172.2 | -110.6 | 0 | 0 | 110.9 | E221 L222 A223 F300 K310 | E219-E221 PolarHBondContact O-N 3.38Å; E219-E221 VanDerWaalsContact O-N 3.09Å; E219-L222 PolarHBondContact O-N 3.39Å; E219-A223 PolarHBondContact O-N 3.18Å; E219-F300 HydrophobicContact CB-CD1 4.11Å; E219-F300 HydrophobicContact CB-CE1 3.91Å; E219-F300 HydrophobicContact CG-CD1 4.47Å; E219-K310 HydrophobicContact CB-CD 4.4Å; E219-K310 PolarHBondContact N-O 3.47Å; E219-K310 IonicContact OE1-NZ 3.94Å; E219-K310 PolarHBondContact OE1-NZ 2.97Å; E219-K310 WeakPolarHBondContact OE2-CD 3.33Å; E219-K310 VanDerWaalsContact OE2-CE 3.32Å; E219-K310 WeakPolarHBondContact OE2-CE 3.28Å; E219-K310 IonicContact OE2-NZ 2.74Å; E219-K310 PolarHBondContact OE2-NZ 2.75Å | ||
| 220 | Q | 88.1 | Confident | 86.9 | Confident | 177 Ų | 177 | 61.4 Ų | 61.4 | 83% | 0.827 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -53.5 | -38 | -168.7 | -169.9 | 174.2 | 4.1 | 0 | 0 | 114 | I218 L222 A223 | I218-Q220 PolarHBondContact O-N 3.46Å; Q220-L222 PolarHBondContact O-N 3.4Å; Q220-A223 PolarHBondContact O-N 3.44Å |
| 221 | E | 87.9 | Confident | 87.9 | Confident | 177 Ų | 177 | 59.4 Ų | 59.4 | 83% | 0.827 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.5 | -25.1 | 179.1 | -64 | -177.3 | 179.5 | 0 | 0 | 113.3 | E219 | E219-E221 PolarHBondContact O-N 3.38Å; E219-E221 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 87.7 | Confident | 88.4 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -105.7 | -10.6 | -177 | -59.4 | 174.9 | 0 | 0 | 0 | 113.1 | I218 E219 Q220 N224 D225 L226 K310 | I218-L222 HydrophobicContact CG2-CB 3.97Å; E219-L222 PolarHBondContact O-N 3.39Å; Q220-L222 PolarHBondContact O-N 3.4Å; L222-N224 PolarHBondContact O-N 2.93Å; L222-D225 PolarHBondContact O-N 3.22Å; L222-L226 HydrophobicContact CB-CD1 3.81Å; L222-L226 HydrophobicContact CB-CG 4.23Å; L222-L226 HydrophobicContact CD1-CD1 4.26Å; L222-L226 WeakPolarHBondContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 2.78Å; L222-K310 HydrophobicContact CD1-CB 3.89Å; L222-K310 HydrophobicContact CD1-CG 4.31Å |
| 223 | A | 87.3 | Confident | 88.7 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.7 | -51.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I218 E219 Q220 D225 L226 E227 | I218-A223 HydrophobicContact CG2-CB 4.37Å; E219-A223 PolarHBondContact O-N 3.18Å; Q220-A223 PolarHBondContact O-N 3.44Å; A223-D225 VanDerWaalsContact C-N 3.32Å; A223-D225 PolarHBondContact O-N 3.35Å; A223-L226 PolarHBondContact O-N 3.36Å; A223-E227 WeakPolarHBondContact O-CB 3.1Å; A223-E227 WeakPolarHBondContact O-CG 3.48Å; A223-E227 PolarHBondContact O-N 3.44Å |
| 224 | N | 84.5 | Confident | 88.7 | Confident | 140 Ų | 140 | 68.5 Ų | 68.5 | 75% | 0.749 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.1 | -44.7 | -176.1 | -69.5 | -24.8 | 0 | 0 | 0 | 113 | L222 | L222-N224 PolarHBondContact O-N 2.93Å |
| 225 | D | 88 | Confident | 88.9 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -77.2 | -45 | -176.9 | -73.7 | -13.3 | 0 | 0 | 0 | 111.9 | L222 A223 R229 | L222-D225 PolarHBondContact O-N 3.22Å; A223-D225 VanDerWaalsContact C-N 3.32Å; A223-D225 PolarHBondContact O-N 3.35Å; D225-R229 WeakPolarHBondContact O-CG 3.4Å; D225-R229 PolarHBondContact O-N 3.31Å |
| 226 | L | 88.7 | Confident | 89 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -77.9 | -38 | -173.9 | -66.7 | -174.8 | 0 | 0 | 0 | 112.5 | I218 L222 A223 K228 R229 F230 V311 | I218-L226 HydrophobicContact CD1-CB 3.93Å; I218-L226 HydrophobicContact CG2-CB 4.18Å; I218-L226 HydrophobicContact CG2-CD1 4.07Å; L222-L226 HydrophobicContact CB-CD1 3.81Å; L222-L226 HydrophobicContact CB-CG 4.23Å; L222-L226 HydrophobicContact CD1-CD1 4.26Å; L222-L226 WeakPolarHBondContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 2.78Å; A223-L226 PolarHBondContact O-N 3.36Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 2.95Å; L226-R229 PolarHBondContact O-N 2.88Å; L226-R229 VanDerWaalsContact O-N 3.16Å; L226-F230 HydrophobicContact CB-CD2 4.4Å; L226-F230 HydrophobicContact CB-CE2 4.39Å; L226-F230 WeakPolarHBondContact O-CD2 3.44Å; L226-F230 PolarHBondContact O-N 2.98Å; L226-V311 HydrophobicContact CD1-CG2 3.67Å |
| 227 | E | 90.1 | Very high | 89 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 176.6 | -74.8 | -178.3 | -176.1 | 0 | 0 | 110.9 | I218 A223 R229 F230 I231 V265 G266 | I218-E227 HydrophobicContact CD1-CB 4.45Å; I218-E227 HydrophobicContact CD1-CG 3.66Å; A223-E227 WeakPolarHBondContact O-CB 3.1Å; A223-E227 WeakPolarHBondContact O-CG 3.48Å; A223-E227 PolarHBondContact O-N 3.44Å; E227-R229 PolarHBondContact O-N 3.4Å; E227-F230 PolarHBondContact O-N 3.12Å; E227-I231 WeakPolarHBondContact O-CG1 3.35Å; E227-I231 PolarHBondContact O-N 3.11Å; E227-V265 HydrophobicContact CB-CG1 3.81Å; E227-V265 HydrophobicContact CG-CG1 3.83Å; E227-G266 WeakPolarHBondContact OE1-CA 3.45Å |
| 228 | K | 89.2 | Confident | 89 | Confident | 124 Ų | 124 | 80.5 Ų | 80.5 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.9 | -175.8 | -178.5 | 175.4 | -175.9 | 0 | 111.1 | L226 F230 I231 D232 | L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 2.95Å; K228-F230 PolarHBondContact O-N 2.9Å; K228-I231 PolarHBondContact O-N 2.72Å; K228-D232 WeakPolarHBondContact O-CB 2.8Å; K228-D232 PolarHBondContact O-N 3.42Å |
| 229 | R | 90.1 | Very high | 88.9 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 179.3 | -72.5 | 177.1 | -170.7 | -155.3 | 3.7 | 112.7 | D225 L226 E227 D232 I233 | D225-R229 WeakPolarHBondContact O-CG 3.4Å; D225-R229 PolarHBondContact O-N 3.31Å; L226-R229 PolarHBondContact O-N 2.88Å; L226-R229 VanDerWaalsContact O-N 3.16Å; E227-R229 PolarHBondContact O-N 3.4Å; R229-D232 PolarHBondContact O-N 2.97Å; R229-I233 WeakPolarHBondContact O-CD1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.15Å; R229-I233 PolarHBondContact O-N 2.82Å |
| 230 | F | 89.8 | Confident | 88.8 | Confident | 22 Ų | 22 | 89.4 Ų | 89.4 | 10% | 0.096 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.2 | -82 | -68.5 | 0 | 0 | 0 | 112 | L216 I218 L226 E227 K228 I233 G234 F245 V265 V311 I332 | L216-F230 HydrophobicContact CD2-CB 4.09Å; L216-F230 HydrophobicContact CD2-CD1 4.11Å; L216-F230 HydrophobicContact CD2-CD2 3.44Å; L216-F230 VanDerWaalsContact CD2-CD2 3.44Å; L216-F230 HydrophobicContact CD2-CE1 4.45Å; L216-F230 HydrophobicContact CD2-CE2 3.83Å; L216-F230 HydrophobicContact CD2-CG 3.61Å; L216-F230 HydrophobicContact CD2-CZ 4.32Å; I218-F230 HydrophobicContact CD1-CD2 4.11Å; I218-F230 HydrophobicContact CD1-CE2 4.4Å; L226-F230 HydrophobicContact CB-CD2 4.4Å; L226-F230 HydrophobicContact CB-CE2 4.39Å; L226-F230 WeakPolarHBondContact O-CD2 3.44Å; L226-F230 PolarHBondContact O-N 2.98Å; E227-F230 PolarHBondContact O-N 3.12Å; K228-F230 PolarHBondContact O-N 2.9Å; F230-I233 PolarHBondContact O-N 2.86Å; F230-G234 PolarHBondContact O-N 3.41Å; F230-F245 HydrophobicContact CB-CB 4.41Å; F230-F245 HydrophobicContact CB-CD1 4.24Å; F230-F245 HydrophobicContact CB-CG 4.15Å; F230-F245 HydrophobicContact CD1-CD1 4.07Å; F230-F245 HydrophobicContact CD1-CD2 4.11Å; F230-F245 AromaticContact CD1-CE1 3.78Å; F230-F245 HydrophobicContact CD1-CE1 3.78Å; F230-F245 AromaticContact CD1-CE2 3.83Å; F230-F245 HydrophobicContact CD1-CE2 3.83Å; F230-F245 HydrophobicContact CD1-CG 4.23Å; F230-F245 AromaticContact CD1-CZ 3.65Å; F230-F245 HydrophobicContact CD1-CZ 3.65Å; F230-F245 HydrophobicContact CE1-CE1 4.26Å; F230-F245 HydrophobicContact CE1-CE2 4.37Å; F230-F245 AromaticContact CE1-CZ 3.94Å; F230-F245 HydrophobicContact CE1-CZ 3.94Å; F230-F245 HydrophobicContact CG-CD1 4.45Å; F230-F245 HydrophobicContact CG-CE1 4.48Å; F230-F245 VanDerWaalsContact O-CB 3.26Å; F230-F245 WeakPolarHBondContact O-CB 3.49Å; F230-V265 HydrophobicContact CB-CG1 4.25Å; F230-V265 HydrophobicContact CB-CG2 4.11Å; F230-V311 HydrophobicContact CE2-CG1 3.87Å; F230-V311 HydrophobicContact CE2-CG2 4.43Å; F230-V311 HydrophobicContact CZ-CG1 3.99Å; F230-I332 HydrophobicContact CE1-CD1 3.67Å; F230-I332 HydrophobicContact CZ-CD1 3.76Å; F230-I332 HydrophobicContact CZ-CG1 4.28Å |
| 231 | I | 89.5 | Confident | 88.8 | Confident | 34 Ų | 34 | 81 Ų | 81 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174 | -67 | -58.6 | 0 | 0 | 0 | 111.6 | E227 K228 I233 G234 V246 R247 V265 | E227-I231 WeakPolarHBondContact O-CG1 3.35Å; E227-I231 PolarHBondContact O-N 3.11Å; K228-I231 PolarHBondContact O-N 2.72Å; I231-I233 VanDerWaalsContact C-N 3.32Å; I231-I233 PolarHBondContact O-N 3.4Å; I231-G234 WeakPolarHBondContact O-CA 3.39Å; I231-G234 PolarHBondContact O-N 3.03Å; I231-V246 VanDerWaalsContact CD1-C 3.42Å; I231-R247 HydrophobicContact CD1-CB 4.49Å; I231-R247 HydrophobicContact CD1-CG 3.59Å; I231-R247 HydrophobicContact CG1-CG 3.83Å; I231-R247 HydrophobicContact CG2-CG 4.35Å; I231-V265 HydrophobicContact CD1-CB 3.73Å; I231-V265 HydrophobicContact CD1-CG1 4.37Å; I231-V265 HydrophobicContact CD1-CG2 3.97Å; I231-V265 HydrophobicContact CG1-CB 4.12Å; I231-V265 HydrophobicContact CG1-CG1 4.21Å |
| 232 | D | 90.4 | Very high | 89 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.6 | -33 | -179.3 | -68.5 | -12.1 | 0 | 0 | 0 | 112.1 | K228 R229 G234 | K228-D232 WeakPolarHBondContact O-CB 2.8Å; K228-D232 PolarHBondContact O-N 3.42Å; R229-D232 PolarHBondContact O-N 2.97Å; D232-G234 VanDerWaalsContact C-N 3.25Å; D232-G234 PolarHBondContact O-N 3.03Å |
| 233 | I | 89.1 | Confident | 89.2 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 170.5 | -71 | 162.7 | 0 | 0 | 0 | 110.6 | R229 F230 I231 T235 I236 | R229-I233 WeakPolarHBondContact O-CD1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.15Å; R229-I233 PolarHBondContact O-N 2.82Å; F230-I233 PolarHBondContact O-N 2.86Å; I231-I233 VanDerWaalsContact C-N 3.32Å; I231-I233 PolarHBondContact O-N 3.4Å; I233-T235 VanDerWaalsContact C-N 3.34Å; I233-T235 PolarHBondContact O-N 3.4Å; I233-I236 HydrophobicContact CG2-CD1 3.8Å; I233-I236 HydrophobicContact CG2-CG1 3.46Å; I233-I236 VanDerWaalsContact CG2-CG1 3.46Å |
| 234 | G | 88.6 | Confident | 89.5 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | trans | 69.5 | -81.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F230 I231 D232 Q244 F245 | F230-G234 PolarHBondContact O-N 3.41Å; I231-G234 WeakPolarHBondContact O-CA 3.39Å; I231-G234 PolarHBondContact O-N 3.03Å; D232-G234 VanDerWaalsContact C-N 3.25Å; D232-G234 PolarHBondContact O-N 3.03Å; G234-Q244 CarbonylContact O-C 3.54Å; G234-Q244 WeakPolarHBondContact O-CA 3.24Å; G234-F245 PolarHBondContact O-N 3.46Å | ||
| 235 | T | 91.7 | Very high | 89.8 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.5 | -174 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | I233 R237 T242 I243 | I233-T235 VanDerWaalsContact C-N 3.34Å; I233-T235 PolarHBondContact O-N 3.4Å; T235-R237 HydrophobicContact CG2-CG 4.43Å; T235-T242 HydrophobicContact CG2-CG2 3.41Å; T235-T242 VanDerWaalsContact CG2-CG2 3.41Å; T235-I243 CarbonylContact C-O 3.5Å; T235-I243 WeakPolarHBondContact CA-O 3.49Å |
| 236 | I | 90.5 | Very high | 90 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.4 | 171.8 | -48.9 | -175.3 | 0 | 0 | 0 | 108.8 | I233 I243 F245 L328 L330 | I233-I236 HydrophobicContact CG2-CD1 3.8Å; I233-I236 HydrophobicContact CG2-CG1 3.46Å; I233-I236 VanDerWaalsContact CG2-CG1 3.46Å; I236-I243 PolarHBondContact N-O 3.09Å; I236-I243 PolarHBondContact O-N 2.66Å; I236-F245 HydrophobicContact CD1-CE2 3.65Å; I236-F245 HydrophobicContact CD1-CZ 4.43Å; I236-F245 HydrophobicContact CG1-CE2 3.92Å; I236-L328 HydrophobicContact CB-CD2 4.49Å; I236-L328 HydrophobicContact CG2-CD1 4.38Å; I236-L328 HydrophobicContact CG2-CD2 3.41Å; I236-L328 VanDerWaalsContact CG2-CD2 3.41Å; I236-L330 HydrophobicContact CD1-CD1 4.11Å; I236-L330 HydrophobicContact CD1-CD2 3.75Å; I236-L330 HydrophobicContact CD1-CG 4.45Å |
| 237 | R | 90.6 | Very high | 89.9 | Confident | 195 Ų | 195 | 65.7 Ų | 65.7 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.2 | -179.2 | -66.3 | 178.8 | -177.7 | -110 | 4.8 | 110.3 | T235 T242 L328 | T235-R237 HydrophobicContact CG2-CG 4.43Å; R237-T242 HydrophobicContact CG-CG2 3.91Å; R237-L328 VanDerWaalsContact C-CD2 3.49Å; R237-L328 WeakPolarHBondContact O-CD2 3.47Å |
| 238 | G | 88 | Confident | 89.6 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -88.7 | -174 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | M241 D326 L328 | G238-M241 WeakPolarHBondContact CA-O 3.25Å; G238-M241 PolarHBondContact N-O 3.23Å; G238-D326 WeakPolarHBondContact CA-O 3.49Å; G238-L328 VanDerWaalsContact CA-CD2 3.42Å; G238-L328 VanDerWaalsContact N-CD2 3.33Å | ||
| 239 | N | 87.8 | Confident | 89.1 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 66% | 0.658 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -71.6 | -38.7 | 177.9 | -66.3 | -26.2 | 0 | 0 | 0 | 111.6 | D326 | N239-D326 PolarHBondContact N-O 3.32Å; N239-D326 PolarHBondContact ND2-OD1 3.45Å |
| 240 | K | 86.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 57 Ų | 57 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -111.8 | -27.1 | -176.9 | -67.7 | -178.4 | -175.3 | -172 | 0 | 114.2 | S259 D323 D326 | K240-S259 WeakPolarHBondContact O-CA 3.47Å; K240-D323 HydrophobicContact CB-CB 4.05Å; K240-D323 HydrophobicContact CD-CB 4Å; K240-D323 WeakPolarHBondContact CD-OD1 3.47Å; K240-D323 IonicContact NZ-OD1 2.75Å; K240-D323 PolarHBondContact NZ-OD1 3.3Å; K240-D326 HydrophobicContact CD-CB 4.41Å; K240-D326 WeakPolarHBondContact CD-OD2 3.39Å; K240-D326 VanDerWaalsContact CE-OD2 3.27Å; K240-D326 WeakPolarHBondContact CE-OD2 3.45Å; K240-D326 WeakPolarHBondContact CG-OD2 3.39Å |
| 241 | M | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | trans | -128.2 | 131.7 | -173.7 | -173.6 | 60.5 | 67.4 | 0 | 0 | 111.3 | Y211 G238 I243 G258 Y260 L261 D323 V324 | Y211-M241 HydrophobicContact CD2-CE 4.07Å; Y211-M241 HydrophobicContact CE2-CE 3.7Å; G238-M241 WeakPolarHBondContact CA-O 3.25Å; G238-M241 PolarHBondContact N-O 3.23Å; M241-I243 HydrophobicContact CG-CG1 4.17Å; M241-G258 WeakPolarHBondContact CE-O 3.49Å; M241-Y260 PolarHBondContact SD-N 3.31Å; M241-L261 HydrophobicContact CG-CB 4.23Å; M241-L261 HydrophobicContact SD-CB 3.72Å; M241-D323 WeakPolarHBondContact CB-O 3.16Å; M241-V324 HydrophobicContact CG-CG2 4.38Å | ||
| 242 | T | 91.8 | Very high | 86.4 | Confident | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.2 | 166.3 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | T235 R237 S259 Y260 L261 | T235-T242 HydrophobicContact CG2-CG2 3.41Å; T235-T242 VanDerWaalsContact CG2-CG2 3.41Å; R237-T242 HydrophobicContact CG-CG2 3.91Å; T242-S259 PolarHBondContact N-O 3.35Å; T242-Y260 HydrophobicContact CG2-CD2 4.02Å; T242-Y260 HydrophobicContact CG2-CE2 4.11Å; T242-Y260 CarbonylContact O-C 3.45Å; T242-Y260 WeakPolarHBondContact O-CA 3.42Å; T242-L261 PolarHBondContact O-N 3.2Å |
| 243 | I | 92.4 | Very high | 85.8 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.4 | 178.6 | -53 | 177.2 | 0 | 0 | 0 | 108.7 | T235 I236 M241 F245 L261 V263 V324 L328 L330 | T235-I243 CarbonylContact C-O 3.5Å; T235-I243 WeakPolarHBondContact CA-O 3.49Å; I236-I243 PolarHBondContact N-O 3.09Å; I236-I243 PolarHBondContact O-N 2.66Å; M241-I243 HydrophobicContact CG-CG1 4.17Å; I243-F245 HydrophobicContact CG2-CE1 4.11Å; I243-F245 HydrophobicContact CG2-CE2 4.12Å; I243-F245 HydrophobicContact CG2-CZ 3.84Å; I243-L261 WeakPolarHBondContact CA-O 3.42Å; I243-V263 HydrophobicContact CG2-CB 4.28Å; I243-V263 HydrophobicContact CG2-CG2 3.52Å; I243-V324 HydrophobicContact CD1-CG1 3.74Å; I243-L328 HydrophobicContact CD1-CD1 3.51Å; I243-L328 HydrophobicContact CG1-CD1 4.08Å; I243-L330 HydrophobicContact CD1-CD1 4.36Å |
| 244 | Q | 93.2 | Very high | 85.5 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.7 | 173 | -173.2 | -166.3 | 31.4 | 0 | 0 | 110 | G234 V246 Y260 L261 P262 V263 | G234-Q244 CarbonylContact O-C 3.54Å; G234-Q244 WeakPolarHBondContact O-CA 3.24Å; Q244-V246 HydrophobicContact CG-CG1 3.77Å; Q244-Y260 WeakPolarHBondContact CB-OH 3.47Å; Q244-Y260 PolarHBondContact OE1-OH 3.22Å; Q244-L261 PolarHBondContact N-O 2.91Å; Q244-P262 CarbonylContact O-C 3.6Å; Q244-P262 WeakPolarHBondContact O-CA 3.27Å; Q244-V263 PolarHBondContact O-N 3.33Å |
| 245 | F | 92.3 | Very high | 85.2 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.1 | 174.1 | -62.1 | -73.4 | 0 | 0 | 0 | 110.3 | L216 F230 G234 I236 I243 V263 V265 | L216-F245 HydrophobicContact CD1-CE1 4.43Å; L216-F245 HydrophobicContact CD2-CD1 4.31Å; L216-F245 HydrophobicContact CD2-CE1 4.22Å; F230-F245 HydrophobicContact CB-CB 4.41Å; F230-F245 HydrophobicContact CB-CD1 4.24Å; F230-F245 HydrophobicContact CB-CG 4.15Å; F230-F245 HydrophobicContact CD1-CD1 4.07Å; F230-F245 HydrophobicContact CD1-CD2 4.11Å; F230-F245 AromaticContact CD1-CE1 3.78Å; F230-F245 HydrophobicContact CD1-CE1 3.78Å; F230-F245 AromaticContact CD1-CE2 3.83Å; F230-F245 HydrophobicContact CD1-CE2 3.83Å; F230-F245 HydrophobicContact CD1-CG 4.23Å; F230-F245 AromaticContact CD1-CZ 3.65Å; F230-F245 HydrophobicContact CD1-CZ 3.65Å; F230-F245 HydrophobicContact CE1-CE1 4.26Å; F230-F245 HydrophobicContact CE1-CE2 4.37Å; F230-F245 AromaticContact CE1-CZ 3.94Å; F230-F245 HydrophobicContact CE1-CZ 3.94Å; F230-F245 HydrophobicContact CG-CD1 4.45Å; F230-F245 HydrophobicContact CG-CE1 4.48Å; F230-F245 VanDerWaalsContact O-CB 3.26Å; F230-F245 WeakPolarHBondContact O-CB 3.49Å; G234-F245 PolarHBondContact O-N 3.46Å; I236-F245 HydrophobicContact CD1-CE2 3.65Å; I236-F245 HydrophobicContact CD1-CZ 4.43Å; I236-F245 HydrophobicContact CG1-CE2 3.92Å; I243-F245 HydrophobicContact CG2-CE1 4.11Å; I243-F245 HydrophobicContact CG2-CE2 4.12Å; I243-F245 HydrophobicContact CG2-CZ 3.84Å; F245-V263 CarbonylContact C-O 3.43Å; F245-V263 WeakPolarHBondContact CA-O 3.18Å; F245-V263 HydrophobicContact CD1-CB 3.92Å; F245-V263 HydrophobicContact CD1-CG1 3.82Å; F245-V263 HydrophobicContact CE1-CB 4.2Å; F245-V263 HydrophobicContact CE1-CG1 3.97Å; F245-V265 HydrophobicContact CB-CG2 3.71Å; F245-V265 HydrophobicContact CD1-CG2 3.64Å; F245-V265 HydrophobicContact CG-CG2 4.09Å |
| 246 | V | 90.4 | Very high | 85 | Confident | 13 Ų | 13 | 65 Ų | 65 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.8 | -175.5 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I231 Q244 L249 A253 V263 L264 V265 | I231-V246 VanDerWaalsContact CD1-C 3.42Å; Q244-V246 HydrophobicContact CG-CG1 3.77Å; V246-L249 HydrophobicContact CG2-CD2 4.09Å; V246-A253 HydrophobicContact CG1-CB 4.29Å; V246-V263 PolarHBondContact N-O 3.35Å; V246-L264 CarbonylContact O-C 3.59Å; V246-L264 WeakPolarHBondContact O-CA 3.36Å; V246-V265 PolarHBondContact O-N 2.74Å |
| 247 | R | 87.9 | Confident | 84.7 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 56% | 0.555 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -84.3 | -24.3 | 173.8 | -67.2 | -172.7 | -179.8 | -86.5 | -1.9 | 113.2 | I231 L264 | I231-R247 HydrophobicContact CD1-CB 4.49Å; I231-R247 HydrophobicContact CD1-CG 3.59Å; I231-R247 HydrophobicContact CG1-CG 3.83Å; I231-R247 HydrophobicContact CG2-CG 4.35Å; R247-L264 WeakPolarHBondContact O-CD1 3.35Å |
| 248 | N | 83.1 | Confident | 84.3 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | trans | -148.9 | 139 | 179.1 | -173.7 | -57.6 | 0 | 0 | 0 | 108.1 | G250 E274 | N248-G250 VanDerWaalsContact C-N 3.33Å; N248-G250 PolarHBondContact OD1-N 3.36Å; N248-E274 PolarHBondContact ND2-OE1 2.86Å; N248-E274 PolarHBondContact ND2-OE2 3.08Å; N248-E274 VanDerWaalsContact ND2-OE2 3.13Å | ||
| 249 | L | 80.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.6 | -177.5 | -68.6 | 170 | 0 | 0 | 0 | 113.4 | P213 V246 P262 L275 | P213-L249 HydrophobicContact CB-CD1 4Å; P213-L249 HydrophobicContact CB-CD2 3.88Å; P213-L249 HydrophobicContact CG-CD1 4.1Å; P213-L249 HydrophobicContact CG-CD2 4.34Å; V246-L249 HydrophobicContact CG2-CD2 4.09Å; L249-P262 HydrophobicContact CD2-CB 4.01Å; L249-P262 HydrophobicContact CD2-CG 4.31Å; L249-L275 HydrophobicContact CD1-CD1 4.11Å |
| 250 | G | 73.7 | Confident | 84.4 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N248 G252 | N248-G250 VanDerWaalsContact C-N 3.33Å; N248-G250 PolarHBondContact OD1-N 3.36Å; G250-G252 PolarHBondContact O-N 3.46Å |
| 251 | N | 68 | Low | 84.7 | Confident | 138 Ų | 138 | 51.7 Ų | 51.7 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -95.2 | 78 | -171.6 | -75.4 | -8.5 | 0 | 0 | 0 | 112.5 | A253 | N251-A253 PolarHBondContact O-N 3.36Š|
| 252 | G | 69.4 | Low | 84.9 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 82.3 | 5.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G250 | G250-G252 PolarHBondContact O-N 3.46Š|
| 253 | A | 78.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 129.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V246 N251 P262 | V246-A253 HydrophobicContact CG1-CB 4.29Å; N251-A253 PolarHBondContact O-N 3.36Å; A253-P262 HydrophobicContact CB-CB 4.01Å |
| 254 | K | 83 | Confident | 84.7 | Confident | 142 Ų | 142 | 50.6 Ų | 50.6 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 153.2 | 171.3 | -58.2 | -179 | 179.6 | -176.9 | 0 | 109.9 | Y260 | K254-Y260 HydrophobicContact CB-CD1 3.9Å; K254-Y260 HydrophobicContact CB-CE1 3.57Å; K254-Y260 HydrophobicContact CB-CE2 4.49Å; K254-Y260 HydrophobicContact CD-CE2 4.28Å; K254-Y260 HydrophobicContact CG-CE1 4.36Å; K254-Y260 WeakPolarHBondContact O-CE1 3.35Å |
| 255 | P | 83.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -54 | 143.6 | 171.5 | -24 | 33.6 | 0 | 0 | 0 | 111.6 | ||
| 256 | T | 86.4 | Confident | 83.7 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 139.5 | 176.7 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | Y211 P213 Y260 L261 P262 | Y211-T256 VanDerWaalsContact CB-CG2 3.42Å; Y211-T256 WeakPolarHBondContact O-CB 3.44Å; Y211-T256 VanDerWaalsContact O-CG2 3.25Å; Y211-T256 WeakPolarHBondContact O-CG2 3.2Å; P213-T256 WeakPolarHBondContact CD-OG1 3.38Å; P213-T256 WeakPolarHBondContact CG-OG1 3.2Å; T256-Y260 WeakPolarHBondContact CA-O 3.37Å; T256-Y260 WeakPolarHBondContact CG2-O 3.21Å; T256-L261 HydrophobicContact CG2-CD1 3.95Å; T256-P262 VanDerWaalsContact OG1-CD 3.32Å; T256-P262 WeakPolarHBondContact OG1-CD 3.29Å; T256-P262 WeakPolarHBondContact OG1-CG 3.48Å |
| 257 | S | 85.3 | Confident | 82.3 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -147.4 | 176.1 | 177.6 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | Y211 S259 Y260 | Y211-S257 VanDerWaalsContact CD2-O 3.28Å; Y211-S257 WeakPolarHBondContact CD2-O 3.24Å; S257-S259 PolarHBondContact O-N 3.24Å; S257-Y260 PolarHBondContact N-O 2.57Å; S257-Y260 PolarHBondContact O-N 3.09Å; S257-Y260 VanDerWaalsContact O-O 3.08Å; S257-Y260 WeakPolarHBondContact OG-CB 3.42Å; S257-Y260 PolarHBondContact OG-N 3.31Å |
| 258 | G | 81.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M241 | M241-G258 WeakPolarHBondContact CE-O 3.49Š|
| 259 | S | 87.5 | Confident | 79.1 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 49% | 0.49 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 2.7 | -179.6 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | K240 T242 S257 | K240-S259 WeakPolarHBondContact O-CA 3.47Å; T242-S259 PolarHBondContact N-O 3.35Å; S257-S259 PolarHBondContact O-N 3.24Å |
| 260 | Y | 90.9 | Very high | 77.8 | Confident | 29 Ų | 29 | 59 Ų | 59 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 122.5 | -178.6 | -171 | -89.5 | 0 | 0 | 0 | 111.2 | M241 T242 Q244 K254 T256 S257 P262 | M241-Y260 PolarHBondContact SD-N 3.31Å; T242-Y260 HydrophobicContact CG2-CD2 4.02Å; T242-Y260 HydrophobicContact CG2-CE2 4.11Å; T242-Y260 CarbonylContact O-C 3.45Å; T242-Y260 WeakPolarHBondContact O-CA 3.42Å; Q244-Y260 WeakPolarHBondContact CB-OH 3.47Å; Q244-Y260 PolarHBondContact OE1-OH 3.22Å; K254-Y260 HydrophobicContact CB-CD1 3.9Å; K254-Y260 HydrophobicContact CB-CE1 3.57Å; K254-Y260 HydrophobicContact CB-CE2 4.49Å; K254-Y260 HydrophobicContact CD-CE2 4.28Å; K254-Y260 HydrophobicContact CG-CE1 4.36Å; K254-Y260 WeakPolarHBondContact O-CE1 3.35Å; T256-Y260 WeakPolarHBondContact CA-O 3.37Å; T256-Y260 WeakPolarHBondContact CG2-O 3.21Å; S257-Y260 PolarHBondContact N-O 2.57Å; S257-Y260 PolarHBondContact O-N 3.09Å; S257-Y260 VanDerWaalsContact O-O 3.08Å; S257-Y260 WeakPolarHBondContact OG-CB 3.42Å; S257-Y260 PolarHBondContact OG-N 3.31Å; Y260-P262 HydrophobicContact CE1-CB 4.29Å; Y260-P262 HydrophobicContact CE1-CG 4.44Å |
| 261 | L | 91.7 | Very high | 76.9 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 102.5 | -177.7 | -178.5 | 64.2 | 0 | 0 | 0 | 110.5 | M241 T242 I243 Q244 T256 V263 L313 V315 V324 | M241-L261 HydrophobicContact CG-CB 4.23Å; M241-L261 HydrophobicContact SD-CB 3.72Å; T242-L261 PolarHBondContact O-N 3.2Å; I243-L261 WeakPolarHBondContact CA-O 3.42Å; Q244-L261 PolarHBondContact N-O 2.91Å; T256-L261 HydrophobicContact CG2-CD1 3.95Å; L261-V263 HydrophobicContact CD2-CG2 4.17Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; L261-L313 HydrophobicContact CD2-CD2 4.37Å; L261-V315 HydrophobicContact CD1-CG1 4.2Å; L261-V315 HydrophobicContact CD1-CG2 4.34Å; L261-V315 HydrophobicContact CD2-CG2 3.88Å; L261-V324 HydrophobicContact CD2-CG2 4.49Å |
| 262 | P | 92.5 | Very high | 76.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.7 | 166.2 | 31.1 | -31.3 | 0 | 0 | 0 | 109.5 | P213 G214 Q244 L249 A253 T256 Y260 | P213-P262 WeakPolarHBondContact CA-O 3.47Å; P213-P262 HydrophobicContact CB-CG 4.17Å; P213-P262 HydrophobicContact CG-CG 4.39Å; G214-P262 PolarHBondContact N-O 3.26Å; Q244-P262 CarbonylContact O-C 3.6Å; Q244-P262 WeakPolarHBondContact O-CA 3.27Å; L249-P262 HydrophobicContact CD2-CB 4.01Å; L249-P262 HydrophobicContact CD2-CG 4.31Å; A253-P262 HydrophobicContact CB-CB 4.01Å; T256-P262 VanDerWaalsContact OG1-CD 3.32Å; T256-P262 WeakPolarHBondContact OG1-CD 3.29Å; T256-P262 WeakPolarHBondContact OG1-CG 3.48Å; Y260-P262 HydrophobicContact CE1-CB 4.29Å; Y260-P262 HydrophobicContact CE1-CG 4.44Å |
| 263 | V | 91.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116.5 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 109 | G214 L216 I243 Q244 F245 V246 L261 V265 L313 | G214-V263 WeakPolarHBondContact O-CA 3.47Å; L216-V263 HydrophobicContact CB-CG1 3.88Å; I243-V263 HydrophobicContact CG2-CB 4.28Å; I243-V263 HydrophobicContact CG2-CG2 3.52Å; Q244-V263 PolarHBondContact O-N 3.33Å; F245-V263 CarbonylContact C-O 3.43Å; F245-V263 WeakPolarHBondContact CA-O 3.18Å; F245-V263 HydrophobicContact CD1-CB 3.92Å; F245-V263 HydrophobicContact CD1-CG1 3.82Å; F245-V263 HydrophobicContact CE1-CB 4.2Å; F245-V263 HydrophobicContact CE1-CG1 3.97Å; V246-V263 PolarHBondContact N-O 3.35Å; L261-V263 HydrophobicContact CD2-CG2 4.17Å; L261-V263 HydrophobicContact CG-CG2 3.97Å; V263-V265 PolarHBondContact O-N 2.97Å; V263-L313 HydrophobicContact CB-CD1 4.24Å; V263-L313 HydrophobicContact CG1-CD1 3.55Å; V263-L313 HydrophobicContact CG2-CD1 3.59Å; V263-L313 HydrophobicContact CG2-CD2 4.43Å |
| 264 | L | 90.2 | Very high | 75.4 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.9 | 173.8 | -176.8 | 68.8 | 0 | 0 | 0 | 110 | G214 R215 L216 V246 R247 | G214-L264 PolarHBondContact O-N 2.93Å; R215-L264 CarbonylContact C-O 3.59Å; R215-L264 WeakPolarHBondContact CA-O 3.16Å; L216-L264 PolarHBondContact N-O 2.96Å; V246-L264 CarbonylContact O-C 3.59Å; V246-L264 WeakPolarHBondContact O-CA 3.36Å; R247-L264 WeakPolarHBondContact O-CD1 3.35Å |
| 265 | V | 88.9 | Confident | 74.6 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.4 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | L216 E227 F230 I231 F245 V246 V263 | L216-V265 HydrophobicContact CB-CG2 4.17Å; L216-V265 HydrophobicContact CD2-CG1 4.15Å; L216-V265 HydrophobicContact CD2-CG2 3.91Å; E227-V265 HydrophobicContact CB-CG1 3.81Å; E227-V265 HydrophobicContact CG-CG1 3.83Å; F230-V265 HydrophobicContact CB-CG1 4.25Å; F230-V265 HydrophobicContact CB-CG2 4.11Å; I231-V265 HydrophobicContact CD1-CB 3.73Å; I231-V265 HydrophobicContact CD1-CG1 4.37Å; I231-V265 HydrophobicContact CD1-CG2 3.97Å; I231-V265 HydrophobicContact CG1-CB 4.12Å; I231-V265 HydrophobicContact CG1-CG1 4.21Å; F245-V265 HydrophobicContact CB-CG2 3.71Å; F245-V265 HydrophobicContact CD1-CG2 3.64Å; F245-V265 HydrophobicContact CG-CG2 4.09Å; V246-V265 PolarHBondContact O-N 2.74Å; V263-V265 PolarHBondContact O-N 2.97Å |
| 266 | G | 74 | Confident | 73.7 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 75.1 | -172.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E227 | E227-G266 WeakPolarHBondContact OE1-CA 3.45Š|
| 267 | G | 61.5 | Low | 72.8 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | trans | 177.5 | 117.9 | 165 | 0 | 0 | 0 | 0 | 0 | 116.7 | S271 | G267-S271 WeakPolarHBondContact CA-OG 3.4Š| ||
| 268 | S | 52.1 | Low | 71.8 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | trans | -62.5 | 163.4 | 153.7 | 71.5 | 0 | 0 | 0 | 0 | 110 | E270 S271 T272 | S268-E270 PolarHBondContact O-N 2.84Å; S268-E270 PolarHBondContact OG-N 3.24Å; S268-E270 PolarHBondContact OG-OE2 2.75Å; S268-S271 PolarHBondContact N-OG 2.71Å; S268-S271 PolarHBondContact O-N 3.15Å; S268-S271 PolarHBondContact O-OG 3.32Å; S268-T272 PolarHBondContact O-N 2.75Å; S268-T272 PolarHBondContact O-OG1 3.23Å | ||
| 269 | K | 52.7 | Low | 70.8 | Confident | 198 Ų | 198 | 51.3 Ų | 51.3 | 86% | 0.861 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -52.9 | -28.7 | 173.4 | -74 | -176.1 | 177.6 | 178.8 | 0 | 112.7 | K273 | K269-K273 PolarHBondContact O-N 2.99Å |
| 270 | E | 51.3 | Low | 69.6 | Low | 144 Ų | 144 | 53.4 Ų | 53.4 | 67% | 0.673 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.9 | -46.1 | 179.7 | -66.1 | 140.6 | 166.1 | 0 | 0 | 112.7 | S268 T272 K273 E274 | S268-E270 PolarHBondContact O-N 2.84Å; S268-E270 PolarHBondContact OG-N 3.24Å; S268-E270 PolarHBondContact OG-OE2 2.75Å; E270-T272 PolarHBondContact O-N 3.48Å; E270-K273 WeakPolarHBondContact O-CA 3.25Å; E270-K273 VanDerWaalsContact O-CB 3.26Å; E270-K273 WeakPolarHBondContact O-CB 3.41Å; E270-K273 PolarHBondContact O-N 3.29Å; E270-E274 PolarHBondContact O-N 3.48Å |
| 271 | S | 55.8 | Low | 67.9 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | G267 S268 K273 E274 L275 | G267-S271 WeakPolarHBondContact CA-OG 3.4Å; S268-S271 PolarHBondContact N-OG 2.71Å; S268-S271 PolarHBondContact O-N 3.15Å; S268-S271 PolarHBondContact O-OG 3.32Å; S271-K273 VanDerWaalsContact C-N 3.32Å; S271-E274 PolarHBondContact O-N 3.09Å; S271-L275 PolarHBondContact O-N 2.97Å |
| 272 | T | 58.9 | Low | 66 | Low | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 172.4 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | R215 S268 E270 N276 | R215-T272 PolarHBondContact NH1-OG1 2.89Å; R215-T272 PolarHBondContact NH2-OG1 3.48Å; S268-T272 PolarHBondContact O-N 2.75Å; S268-T272 PolarHBondContact O-OG1 3.23Å; E270-T272 PolarHBondContact O-N 3.48Å; T272-N276 VanDerWaalsContact O-CB 3.26Å; T272-N276 WeakPolarHBondContact O-CB 3.41Å; T272-N276 PolarHBondContact O-N 3.1Å; T272-N276 PolarHBondContact O-ND2 2.92Å |
| 273 | K | 62.1 | Low | 63.9 | Low | 133 Ų | 133 | 60 Ų | 60 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 176.6 | -169.9 | -177.3 | 173.9 | -171.3 | 0 | 111.1 | K269 E270 S271 L275 N276 D277 | K269-K273 PolarHBondContact O-N 2.99Å; E270-K273 WeakPolarHBondContact O-CA 3.25Å; E270-K273 VanDerWaalsContact O-CB 3.26Å; E270-K273 WeakPolarHBondContact O-CB 3.41Å; E270-K273 PolarHBondContact O-N 3.29Å; S271-K273 VanDerWaalsContact C-N 3.32Å; K273-L275 PolarHBondContact O-N 3.2Å; K273-N276 PolarHBondContact O-N 3.23Å; K273-D277 WeakPolarHBondContact CG-OD2 3.49Å; K273-D277 VanDerWaalsContact O-CB 3.26Å; K273-D277 WeakPolarHBondContact O-CB 3.41Å; K273-D277 PolarHBondContact O-N 2.97Å |
| 274 | E | 63 | Low | 61.3 | Low | 82 Ų | 82 | 67.2 Ų | 67.2 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 176.4 | -73.6 | -178.4 | 172.2 | 0 | 0 | 112.8 | N248 E270 S271 D277 H278 | N248-E274 PolarHBondContact ND2-OE1 2.86Å; N248-E274 PolarHBondContact ND2-OE2 3.08Å; N248-E274 VanDerWaalsContact ND2-OE2 3.13Å; E270-E274 PolarHBondContact O-N 3.48Å; S271-E274 PolarHBondContact O-N 3.09Å; E274-D277 PolarHBondContact O-N 3.16Å; E274-H278 WeakPolarHBondContact O-CB 3.06Å; E274-H278 PolarHBondContact O-N 3.08Å |
| 275 | L | 65.1 | Low | 59 | Low | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178 | -175.1 | 67.5 | 0 | 0 | 0 | 111.3 | P213 R215 L249 S271 K273 D277 H278 L279 | P213-L275 HydrophobicContact CB-CD1 4.1Å; R215-L275 HydrophobicContact CB-CD2 4Å; L249-L275 HydrophobicContact CD1-CD1 4.11Å; S271-L275 PolarHBondContact O-N 2.97Å; K273-L275 PolarHBondContact O-N 3.2Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.85Å; L275-H278 PolarHBondContact O-N 2.85Å; L275-L279 HydrophobicContact CG-CD1 4.22Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.8Å |
| 276 | N | 65.7 | Low | 56.8 | Low | 59 Ų | 59 | 82.6 Ų | 82.6 | 32% | 0.316 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 177.8 | -73.3 | -15.8 | 0 | 0 | 0 | 112.3 | T272 K273 L279 K280 | T272-N276 VanDerWaalsContact O-CB 3.26Å; T272-N276 WeakPolarHBondContact O-CB 3.41Å; T272-N276 PolarHBondContact O-N 3.1Å; T272-N276 PolarHBondContact O-ND2 2.92Å; K273-N276 PolarHBondContact O-N 3.23Å; N276-L279 PolarHBondContact O-N 3.33Å; N276-K280 WeakPolarHBondContact O-CB 3.48Å; N276-K280 VanDerWaalsContact O-CG 3.25Å; N276-K280 WeakPolarHBondContact O-CG 3.45Å; N276-K280 PolarHBondContact O-N 3.29Å |
| 277 | D | 67 | Low | 54.8 | Low | 72 Ų | 72 | 88.6 Ų | 88.6 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | 176.7 | -70.4 | -14.1 | 0 | 0 | 0 | 110.6 | K273 E274 L275 K280 S281 | K273-D277 WeakPolarHBondContact CG-OD2 3.49Å; K273-D277 VanDerWaalsContact O-CB 3.26Å; K273-D277 WeakPolarHBondContact O-CB 3.41Å; K273-D277 PolarHBondContact O-N 2.97Å; E274-D277 PolarHBondContact O-N 3.16Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.85Å; D277-K280 IonicContact OD1-NZ 3.88Å; D277-S281 PolarHBondContact O-N 3.36Å |
| 278 | H | 63.3 | Low | 53.5 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 170.3 | -169 | 77 | 0 | 0 | 0 | 112.6 | E274 L275 S281 I282 | E274-H278 WeakPolarHBondContact O-CB 3.06Å; E274-H278 PolarHBondContact O-N 3.08Å; L275-H278 PolarHBondContact O-N 2.85Å; H278-S281 PolarHBondContact O-N 2.92Å; H278-S281 PolarHBondContact O-OG 3.33Å; H278-I282 WeakPolarHBondContact O-CG1 3.43Å; H278-I282 PolarHBondContact O-N 2.77Å |
| 279 | L | 61.5 | Low | 52.4 | Low | 26 Ų | 26 | 101.1 Ų | 101.1 | 14% | 0.136 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 174.3 | -70.6 | 170.4 | 0 | 0 | 0 | 111.2 | T212 L275 N276 S281 I282 E283 P316 | T212-L279 HydrophobicContact CG2-CD2 3.68Å; L275-L279 HydrophobicContact CG-CD1 4.22Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.8Å; N276-L279 PolarHBondContact O-N 3.33Å; L279-S281 VanDerWaalsContact C-N 3.31Å; L279-S281 PolarHBondContact O-N 2.87Å; L279-I282 WeakPolarHBondContact O-CB 3.47Å; L279-I282 PolarHBondContact O-N 2.92Å; L279-I282 VanDerWaalsContact O-N 3.13Å; L279-E283 WeakPolarHBondContact O-CB 3.21Å; L279-E283 WeakPolarHBondContact O-CG 3.31Å; L279-E283 PolarHBondContact O-N 3.29Å; L279-P316 HydrophobicContact CD1-CG 4.04Å; L279-P316 HydrophobicContact CD2-CB 4Å; L279-P316 HydrophobicContact CD2-CG 3.95Å |
| 280 | K | 61.4 | Low | 51.8 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 175.6 | -78.7 | 173.5 | -175.2 | 171.7 | 0 | 113 | N276 D277 I282 E283 L284 | N276-K280 WeakPolarHBondContact O-CB 3.48Å; N276-K280 VanDerWaalsContact O-CG 3.25Å; N276-K280 WeakPolarHBondContact O-CG 3.45Å; N276-K280 PolarHBondContact O-N 3.29Å; D277-K280 IonicContact OD1-NZ 3.88Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 PolarHBondContact O-N 2.87Å; K280-E283 PolarHBondContact O-N 2.74Å; K280-L284 WeakPolarHBondContact O-CB 3.25Å; K280-L284 PolarHBondContact O-N 2.8Å |
| 281 | S | 55.3 | Low | 51.4 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -29.4 | 177.9 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | D277 H278 L279 | D277-S281 PolarHBondContact O-N 3.36Å; H278-S281 PolarHBondContact O-N 2.92Å; H278-S281 PolarHBondContact O-OG 3.33Å; L279-S281 VanDerWaalsContact C-N 3.31Å; L279-S281 PolarHBondContact O-N 2.87Å |
| 282 | I | 53.3 | Low | 51.1 | Low | 55 Ų | 55 | 102.6 Ų | 102.6 | 28% | 0.282 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75 | -39.1 | 170.4 | -61.7 | 167.5 | 0 | 0 | 0 | 110.6 | T212 H278 L279 K280 | T212-I282 HydrophobicContact CG2-CD1 3.91Å; H278-I282 WeakPolarHBondContact O-CG1 3.43Å; H278-I282 PolarHBondContact O-N 2.77Å; L279-I282 WeakPolarHBondContact O-CB 3.47Å; L279-I282 PolarHBondContact O-N 2.92Å; L279-I282 VanDerWaalsContact O-N 3.13Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 PolarHBondContact O-N 2.87Å |
| 283 | E | 47.2 | Very low | 51.5 | Low | 49 Ų | 49 | 104.1 Ų | 104.1 | 23% | 0.229 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -71.7 | -30.8 | -179.6 | -74.3 | 170.9 | 168.9 | 0 | 0 | 114.2 | L279 K280 Q285 K286 T290 | L279-E283 WeakPolarHBondContact O-CB 3.21Å; L279-E283 WeakPolarHBondContact O-CG 3.31Å; L279-E283 PolarHBondContact O-N 3.29Å; K280-E283 PolarHBondContact O-N 2.74Å; E283-Q285 PolarHBondContact O-N 3.23Å; E283-K286 PolarHBondContact O-N 3.22Å; E283-T290 WeakPolarHBondContact OE1-CB 3.1Å; E283-T290 PolarHBondContact OE1-OG1 2.95Å; E283-T290 PolarHBondContact OE2-OG1 3.25Å |
| 284 | L | 37.6 | Very low | 52.2 | Low | 152 Ų | 152 | 99 Ų | 99 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -8.8 | 178.3 | -103.6 | 152 | 0 | 0 | 0 | 113.8 | K280 | K280-L284 WeakPolarHBondContact O-CB 3.25Å; K280-L284 PolarHBondContact O-N 2.8Å |
| 285 | Q | 40.7 | Very low | 53.2 | Low | 171 Ų | 171 | 98.2 Ų | 98.2 | 80% | 0.799 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.8 | 170.6 | -66.5 | -162.5 | -12.4 | 0 | 0 | 115.1 | E283 | E283-Q285 PolarHBondContact O-N 3.23Š|
| 286 | K | 43.3 | Very low | 54.2 | Low | 158 Ų | 158 | 99.1 Ų | 99.1 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -148.9 | 144.8 | 175.2 | -70.2 | -170.4 | 179.6 | 171.1 | 0 | 115.7 | E283 H288 | E283-K286 PolarHBondContact O-N 3.22Å; K286-H288 PolarHBondContact O-N 3.46Å; K286-H288 VanDerWaalsContact O-N 3.15Å |
| 287 | T | 31.9 | Very low | 55.3 | Low | 133 Ų | 133 | 101.8 Ų | 101.8 | 82% | 0.816 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -73.5 | 87.5 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 288 | H | 34.3 | Very low | 56.4 | Low | 171 Ų | 171 | 99 Ų | 99 | 79% | 0.792 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -166.3 | 120.9 | 146.9 | -91.7 | -52.4 | 0 | 0 | 0 | 108.2 | K286 T290 | K286-H288 PolarHBondContact O-N 3.46Å; K286-H288 VanDerWaalsContact O-N 3.15Å; H288-T290 PolarHBondContact O-N 3.46Å |
| 289 | H | 29.8 | Very low | 57.7 | Low | 201 Ų | 201 | 95.1 Ų | 95.1 | 93% | 0.931 | 49% | 0.488 | S | S | * | . | trans | -61 | 97.3 | 179.3 | -73.6 | -34.9 | 0 | 0 | 0 | 111.4 | K291 | H289-K291 PolarHBondContact O-N 2.91Š| ||
| 290 | T | 39.5 | Very low | 59.2 | Low | 52 Ų | 52 | 95.8 Ų | 95.8 | 32% | 0.319 | 49% | 0.49 | S | S | . | . | trans | -77.4 | 93.9 | 174.3 | 35.6 | 0 | 0 | 0 | 0 | 109.5 | E283 H288 L339 | E283-T290 WeakPolarHBondContact OE1-CB 3.1Å; E283-T290 PolarHBondContact OE1-OG1 2.95Å; E283-T290 PolarHBondContact OE2-OG1 3.25Å; H288-T290 PolarHBondContact O-N 3.46Å; T290-L339 HydrophobicContact CG2-CD2 3.77Å | ||
| 291 | K | 41.7 | Very low | 60.8 | Low | 196 Ų | 196 | 98.2 Ų | 98.2 | 85% | 0.852 | 50% | 0.496 | S | S | * | . | trans | -88.8 | -4 | 173.7 | -110.4 | -174.6 | 179.2 | -177.8 | 0 | 114.1 | H289 A293 | H289-K291 PolarHBondContact O-N 2.91Å; K291-A293 VanDerWaalsContact C-N 3.3Å; K291-A293 PolarHBondContact O-N 3Å; K291-A293 VanDerWaalsContact O-N 3.07Å | ||
| 292 | D | 50.2 | Low | 62.6 | Low | 136 Ų | 136 | 99 Ų | 99 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | trans | -91.8 | 54.5 | -169.7 | -65.6 | -17.8 | 0 | 0 | 0 | 112.8 | ||||
| 293 | A | 66.9 | Low | 64.5 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | trans | -62.7 | 139.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.9 | K291 D295 | K291-A293 VanDerWaalsContact C-N 3.3Å; K291-A293 PolarHBondContact O-N 3Å; K291-A293 VanDerWaalsContact O-N 3.07Å; A293-D295 PolarHBondContact O-N 3.45Å; A293-D295 VanDerWaalsContact O-N 3.12Å | ||
| 294 | F | 77.2 | Confident | 66.7 | Low | 24 Ų | 24 | 101.3 Ų | 101.3 | 11% | 0.105 | 50% | 0.496 | C | S | . | . | trans | -57.3 | 117.3 | 176.7 | 174.6 | -100.5 | 0 | 0 | 0 | 111.3 | F217 S296 Y299 V312 Y314 L335 A445 | F217-F294 HydrophobicContact CD2-CD1 4.12Å; F217-F294 HydrophobicContact CD2-CE1 4.19Å; F217-F294 AromaticContact CE2-CD1 3.79Å; F217-F294 HydrophobicContact CE2-CD1 3.79Å; F217-F294 HydrophobicContact CE2-CE1 4.34Å; F217-F294 HydrophobicContact CZ-CD1 4.45Å; F294-S296 PolarHBondContact O-N 3.39Å; F294-Y299 HydrophobicContact CE1-CG 4.32Å; F294-Y299 HydrophobicContact CE2-CD2 4.32Å; F294-Y299 HydrophobicContact CE2-CG 4.38Å; F294-Y299 HydrophobicContact CZ-CD1 4.13Å; F294-Y299 AromaticContact CZ-CD2 3.8Å; F294-Y299 HydrophobicContact CZ-CD2 3.8Å; F294-Y299 AromaticContact CZ-CG 3.54Å; F294-Y299 HydrophobicContact CZ-CG 3.54Å; F294-V312 HydrophobicContact CE1-CG1 4.32Å; F294-V312 HydrophobicContact CZ-CG1 4.41Å; F294-Y314 HydrophobicContact CB-CD1 3.96Å; F294-Y314 HydrophobicContact CB-CD2 3.72Å; F294-Y314 HydrophobicContact CB-CE1 3.76Å; F294-Y314 HydrophobicContact CB-CE2 3.54Å; F294-Y314 HydrophobicContact CB-CG 3.93Å; F294-Y314 HydrophobicContact CD1-CG 4.45Å; F294-Y314 HydrophobicContact CG-CD2 4.14Å; F294-Y314 HydrophobicContact CG-CE2 4.35Å; F294-Y314 HydrophobicContact CG-CG 4.35Å; F294-L335 HydrophobicContact CD2-CD1 3.87Å; F294-L335 HydrophobicContact CE1-CD1 4.09Å; F294-L335 HydrophobicContact CE2-CD1 3.17Å; F294-L335 HydrophobicContact CZ-CD1 3.3Å; F294-A445 HydrophobicContact CD2-CB 4.15Å; F294-A445 HydrophobicContact CE2-CB 3.85Å; F294-A445 HydrophobicContact CZ-CB 4.46Å | ||
| 295 | D | 83.9 | Confident | 69.4 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 36% | 0.358 | 46% | 0.462 | S | S | . | . | trans | -79.5 | 95 | 177.7 | -172.6 | -20.3 | 0 | 0 | 0 | 110.6 | A293 D297 L298 Y299 A445 | A293-D295 PolarHBondContact O-N 3.45Å; A293-D295 VanDerWaalsContact O-N 3.12Å; D295-D297 VanDerWaalsContact C-N 3.32Å; D295-D297 PolarHBondContact O-N 3.16Å; D295-D297 PolarHBondContact OD1-N 3.47Å; D295-D297 VanDerWaalsContact OD1-N 3.09Å; D295-L298 HydrophobicContact CB-CB 3.89Å; D295-L298 WeakPolarHBondContact OD1-CB 3.16Å; D295-L298 PolarHBondContact OD1-N 3.38Å; D295-L298 WeakPolarHBondContact OD2-CB 3.22Å; D295-Y299 WeakPolarHBondContact O-CB 3.5Å; D295-Y299 PolarHBondContact O-N 2.82Å; D295-A445 HydrophobicContact CB-CB 4.3Å; D295-A445 WeakPolarHBondContact O-CB 3.33Å | ||
| 296 | S | 86 | Confident | 71.8 | Confident | 24 Ų | 24 | 90.2 Ų | 90.2 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 179.1 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | F294 Y299 F300 | F294-S296 PolarHBondContact O-N 3.39Å; S296-Y299 WeakPolarHBondContact O-CB 3.42Å; S296-Y299 PolarHBondContact O-N 3.15Å; S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.47Å |
| 297 | D | 89.3 | Confident | 73.8 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 62% | 0.615 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.5 | -42.1 | -177.9 | -66.9 | -18.7 | 0 | 0 | 0 | 110.1 | D295 R301 | D295-D297 VanDerWaalsContact C-N 3.32Å; D295-D297 PolarHBondContact O-N 3.16Å; D295-D297 PolarHBondContact OD1-N 3.47Å; D295-D297 VanDerWaalsContact OD1-N 3.09Å; D297-R301 VanDerWaalsContact O-CB 3.23Å; D297-R301 WeakPolarHBondContact O-CB 3.45Å; D297-R301 PolarHBondContact O-N 3.29Å |
| 298 | L | 89.5 | Confident | 76.6 | Confident | 14 Ų | 14 | 82.4 Ų | 82.4 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 171.8 | -174.4 | 67.4 | 0 | 0 | 0 | 111.1 | D295 R301 Y302 Q443 A445 Q446 | D295-L298 HydrophobicContact CB-CB 3.89Å; D295-L298 WeakPolarHBondContact OD1-CB 3.16Å; D295-L298 PolarHBondContact OD1-N 3.38Å; D295-L298 WeakPolarHBondContact OD2-CB 3.22Å; L298-R301 PolarHBondContact O-N 2.94Å; L298-Y302 HydrophobicContact CD1-CD2 3.79Å; L298-Y302 HydrophobicContact CD1-CE2 3.51Å; L298-Y302 HydrophobicContact CG-CD2 4.3Å; L298-Y302 HydrophobicContact CG-CE2 4.45Å; L298-Y302 WeakPolarHBondContact O-CD2 3.3Å; L298-Y302 PolarHBondContact O-N 2.87Å; L298-Q443 HydrophobicContact CD2-CB 3.88Å; L298-Q443 HydrophobicContact CD2-CG 4.29Å; L298-A445 HydrophobicContact CB-CB 4.36Å; L298-A445 HydrophobicContact CD2-CB 4.26Å; L298-A445 HydrophobicContact CG-CB 4.48Å; L298-Q446 HydrophobicContact CD2-CB 4.2Å; L298-Q446 HydrophobicContact CG-CB 4.36Å |
| 299 | Y | 91.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.9 | -56 | 178.1 | 169.6 | -97.1 | 0 | 0 | 0 | 111.8 | F294 D295 S296 R301 Y302 L303 G309 V312 L333 A445 I448 A449 L452 | F294-Y299 HydrophobicContact CE1-CG 4.32Å; F294-Y299 HydrophobicContact CE2-CD2 4.32Å; F294-Y299 HydrophobicContact CE2-CG 4.38Å; F294-Y299 HydrophobicContact CZ-CD1 4.13Å; F294-Y299 AromaticContact CZ-CD2 3.8Å; F294-Y299 HydrophobicContact CZ-CD2 3.8Å; F294-Y299 AromaticContact CZ-CG 3.54Å; F294-Y299 HydrophobicContact CZ-CG 3.54Å; D295-Y299 WeakPolarHBondContact O-CB 3.5Å; D295-Y299 PolarHBondContact O-N 2.82Å; S296-Y299 WeakPolarHBondContact O-CB 3.42Å; S296-Y299 PolarHBondContact O-N 3.15Å; Y299-R301 VanDerWaalsContact C-N 3.3Å; Y299-R301 PolarHBondContact O-N 2.98Å; Y299-Y302 PolarHBondContact O-N 2.91Å; Y299-L303 HydrophobicContact CE1-CD2 3.9Å; Y299-L303 HydrophobicContact CE2-CD1 4.36Å; Y299-L303 PolarHBondContact O-N 3.13Å; Y299-G309 WeakPolarHBondContact CE1-O 3.34Å; Y299-G309 VanDerWaalsContact OH-CA 3.28Å; Y299-G309 WeakPolarHBondContact OH-CA 3.41Å; Y299-G309 PolarHBondContact OH-O 3.46Å; Y299-V312 HydrophobicContact CD1-CG2 4.24Å; Y299-V312 HydrophobicContact CE1-CG2 3.46Å; Y299-V312 VanDerWaalsContact CE1-CG2 3.46Å; Y299-L333 HydrophobicContact CE2-CD2 4.07Å; Y299-L333 VanDerWaalsContact OH-CD2 3.3Å; Y299-L333 WeakPolarHBondContact OH-CD2 3.23Å; Y299-A445 WeakPolarHBondContact CD2-O 3.46Å; Y299-I448 HydrophobicContact CD2-CG2 4.27Å; Y299-I448 HydrophobicContact CE2-CG2 3.85Å; Y299-A449 HydrophobicContact CD2-CB 3.64Å; Y299-A449 HydrophobicContact CE2-CB 3.85Å; Y299-A449 HydrophobicContact CG-CB 4.37Å; Y299-A449 VanDerWaalsContact O-CB 3.22Å; Y299-A449 WeakPolarHBondContact O-CB 3.4Å; Y299-L452 HydrophobicContact CE2-CD1 4.21Å; Y299-L452 VanDerWaalsContact OH-CD1 3.3Å; Y299-L452 WeakPolarHBondContact OH-CD1 3.32Å |
| 300 | F | 92.4 | Very high | 82.1 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -29 | -177.6 | -70.8 | -63.7 | 0 | 0 | 0 | 112.7 | F217 E219 S296 Y302 L303 V312 | F217-F300 HydrophobicContact CB-CE2 3.97Å; F217-F300 HydrophobicContact CB-CZ 4.17Å; E219-F300 HydrophobicContact CB-CD1 4.11Å; E219-F300 HydrophobicContact CB-CE1 3.91Å; E219-F300 HydrophobicContact CG-CD1 4.47Å; S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.47Å; F300-Y302 VanDerWaalsContact C-N 3.31Å; F300-Y302 PolarHBondContact O-N 3.19Å; F300-L303 HydrophobicContact CD1-CD2 4.16Å; F300-L303 HydrophobicContact CE1-CD2 4.46Å; F300-L303 PolarHBondContact O-N 3.45Å; F300-V312 HydrophobicContact CZ-CG2 4.26Å |
| 301 | R | 94.5 | Very high | 84.5 | Confident | 165 Ų | 165 | 64.7 Ų | 64.7 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 173.4 | -175.4 | -176.3 | -58.5 | 163.8 | 6.1 | 112.5 | D297 L298 Y299 K304 | D297-R301 VanDerWaalsContact O-CB 3.23Å; D297-R301 WeakPolarHBondContact O-CB 3.45Å; D297-R301 PolarHBondContact O-N 3.29Å; L298-R301 PolarHBondContact O-N 2.94Å; Y299-R301 VanDerWaalsContact C-N 3.3Å; Y299-R301 PolarHBondContact O-N 2.98Å; R301-K304 PolarHBondContact O-NZ 3.29Å |
| 302 | Y | 93.3 | Very high | 86.8 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.3 | -13.4 | -178 | -80.5 | -86.6 | 0 | 0 | 0 | 113.9 | L298 Y299 F300 K304 Q446 L450 | L298-Y302 HydrophobicContact CD1-CD2 3.79Å; L298-Y302 HydrophobicContact CD1-CE2 3.51Å; L298-Y302 HydrophobicContact CG-CD2 4.3Å; L298-Y302 HydrophobicContact CG-CE2 4.45Å; L298-Y302 WeakPolarHBondContact O-CD2 3.3Å; L298-Y302 PolarHBondContact O-N 2.87Å; Y299-Y302 PolarHBondContact O-N 2.91Å; F300-Y302 VanDerWaalsContact C-N 3.31Å; F300-Y302 PolarHBondContact O-N 3.19Å; Y302-K304 PolarHBondContact O-N 3.18Å; Y302-Q446 HydrophobicContact CD1-CG 4.02Å; Y302-Q446 HydrophobicContact CD2-CB 4.48Å; Y302-Q446 HydrophobicContact CD2-CG 3.96Å; Y302-Q446 HydrophobicContact CE1-CG 4.2Å; Y302-Q446 VanDerWaalsContact CE1-NE2 3.34Å; Y302-Q446 HydrophobicContact CE2-CG 4.14Å; Y302-Q446 HydrophobicContact CG-CG 3.89Å; Y302-Q446 VanDerWaalsContact CZ-NE2 3.33Å; Y302-Q446 PolarHBondContact OH-NE2 3.34Å; Y302-L450 HydrophobicContact CD1-CD2 4.28Å |
| 303 | L | 93.8 | Very high | 88.7 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -70.7 | 123 | 178.4 | -169.5 | 69.2 | 0 | 0 | 0 | 110.2 | Y299 F300 T305 G309 K310 A449 L452 | Y299-L303 HydrophobicContact CE1-CD2 3.9Å; Y299-L303 HydrophobicContact CE2-CD1 4.36Å; Y299-L303 PolarHBondContact O-N 3.13Å; F300-L303 HydrophobicContact CD1-CD2 4.16Å; F300-L303 HydrophobicContact CE1-CD2 4.46Å; F300-L303 PolarHBondContact O-N 3.45Å; L303-T305 HydrophobicContact CD1-CG2 3.73Å; L303-T305 WeakPolarHBondContact CD2-OG1 3.42Å; L303-T305 HydrophobicContact CG-CG2 4.25Å; L303-T305 VanDerWaalsContact CG-OG1 3.3Å; L303-T305 WeakPolarHBondContact CG-OG1 3.5Å; L303-G309 WeakPolarHBondContact CD2-O 3.29Å; L303-K310 HydrophobicContact CD2-CD 3.98Å; L303-A449 HydrophobicContact CB-CB 4.2Å; L303-A449 HydrophobicContact CD1-CB 4.41Å; L303-L452 HydrophobicContact CD1-CB 4.07Å; L303-L452 HydrophobicContact CD1-CD1 4.46Å | ||
| 304 | K | 93.5 | Very high | 89.6 | Confident | 145 Ų | 145 | 46.7 Ų | 46.7 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | trans | -123 | 45.7 | 180 | -55.3 | -59.9 | 164.7 | -148.5 | 0 | 111 | R301 Y302 S453 | R301-K304 PolarHBondContact O-NZ 3.29Å; Y302-K304 PolarHBondContact O-N 3.18Å; K304-S453 PolarHBondContact N-OG 3.28Å | ||
| 305 | T | 93.1 | Very high | 90 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | trans | -105.3 | 155.9 | 179 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | L303 M308 K310 L452 E456 | L303-T305 HydrophobicContact CD1-CG2 3.73Å; L303-T305 WeakPolarHBondContact CD2-OG1 3.42Å; L303-T305 HydrophobicContact CG-CG2 4.25Å; L303-T305 VanDerWaalsContact CG-OG1 3.3Å; L303-T305 WeakPolarHBondContact CG-OG1 3.5Å; T305-M308 VanDerWaalsContact CB-O 3.22Å; T305-M308 WeakPolarHBondContact CB-O 3.28Å; T305-M308 HydrophobicContact CG2-CB 4.07Å; T305-M308 PolarHBondContact OG1-O 3.47Å; T305-K310 WeakPolarHBondContact O-CE 3.43Å; T305-K310 PolarHBondContact O-NZ 2.95Å; T305-K310 WeakPolarHBondContact OG1-CE 3.3Å; T305-L452 HydrophobicContact CG2-CB 4.36Å; T305-E456 WeakPolarHBondContact CA-OE1 3.4Å; T305-E456 WeakPolarHBondContact CB-OE2 3.47Å; T305-E456 HydrophobicContact CG2-CB 4.12Å | ||
| 306 | S | 91.4 | Very high | 89.6 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -88.3 | -36.2 | 169.6 | 48 | 0 | 0 | 0 | 0 | 112.5 | E456 R460 | S306-E456 VanDerWaalsContact N-CD 3.34Å; S306-E456 PolarHBondContact N-OE1 3.09Å; S306-E456 PolarHBondContact N-OE2 3.26Å; S306-E456 PolarHBondContact OG-OE1 2.86Å; S306-E456 VanDerWaalsContact OG-OE1 3.13Å; S306-E456 PolarHBondContact OG-OE2 2.85Å; S306-R460 PolarHBondContact OG-NH1 3.24Å |
| 307 | T | 86.7 | Confident | 89.2 | Confident | 105 Ų | 105 | 41.5 Ų | 41.5 | 64% | 0.644 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -135.2 | -35.9 | -171.7 | 58 | 0 | 0 | 0 | 0 | 112.9 | K310 E456 | T307-K310 WeakPolarHBondContact O-CG 3.47Å; T307-E456 PolarHBondContact N-OE2 2.97Å; T307-E456 PolarHBondContact OG1-OE2 2.58Å; T307-E456 VanDerWaalsContact OG1-OE2 3.13Å |
| 308 | M | 89.3 | Confident | 88.5 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 140 | -176.4 | -67.9 | -166.9 | 176.9 | 0 | 0 | 112.7 | T305 K310 L353 M455 E456 V459 | T305-M308 VanDerWaalsContact CB-O 3.22Å; T305-M308 WeakPolarHBondContact CB-O 3.28Å; T305-M308 HydrophobicContact CG2-CB 4.07Å; T305-M308 PolarHBondContact OG1-O 3.47Å; M308-K310 PolarHBondContact O-N 2.95Å; M308-L353 HydrophobicContact CE-CD1 3.66Å; M308-M455 HydrophobicContact SD-CB 4.47Å; M308-M455 HydrophobicContact SD-CG 4.21Å; M308-E456 HydrophobicContact CB-CB 4.4Å; M308-E456 HydrophobicContact CB-CG 4.5Å; M308-E456 HydrophobicContact CG-CB 4.16Å; M308-E456 HydrophobicContact CG-CG 4.05Å; M308-E456 PolarHBondContact N-OE2 2.71Å; M308-E456 HydrophobicContact SD-CB 3.84Å; M308-E456 HydrophobicContact SD-CG 4.19Å; M308-V459 HydrophobicContact CE-CB 4.1Å; M308-V459 HydrophobicContact CE-CG1 4.13Å; M308-V459 HydrophobicContact CE-CG2 3.74Å |
| 309 | G | 88.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y299 L303 V311 V312 | Y299-G309 WeakPolarHBondContact CE1-O 3.34Å; Y299-G309 VanDerWaalsContact OH-CA 3.28Å; Y299-G309 WeakPolarHBondContact OH-CA 3.41Å; Y299-G309 PolarHBondContact OH-O 3.46Å; L303-G309 WeakPolarHBondContact CD2-O 3.29Å; G309-V311 VanDerWaalsContact C-N 3.27Å; G309-V311 PolarHBondContact O-N 2.86Å; G309-V312 WeakPolarHBondContact O-CG2 3.36Å |
| 310 | K | 91.6 | Very high | 86.6 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -73 | -20.8 | 177.6 | -57.5 | -52.6 | -165.3 | 152.5 | 0 | 113.7 | I218 E219 L222 L303 T305 T307 M308 | I218-K310 WeakPolarHBondContact CA-O 3.03Å; E219-K310 HydrophobicContact CB-CD 4.4Å; E219-K310 PolarHBondContact N-O 3.47Å; E219-K310 IonicContact OE1-NZ 3.94Å; E219-K310 PolarHBondContact OE1-NZ 2.97Å; E219-K310 WeakPolarHBondContact OE2-CD 3.33Å; E219-K310 VanDerWaalsContact OE2-CE 3.32Å; E219-K310 WeakPolarHBondContact OE2-CE 3.28Å; E219-K310 IonicContact OE2-NZ 2.74Å; E219-K310 PolarHBondContact OE2-NZ 2.75Å; L222-K310 HydrophobicContact CD1-CB 3.89Å; L222-K310 HydrophobicContact CD1-CG 4.31Å; L303-K310 HydrophobicContact CD2-CD 3.98Å; T305-K310 WeakPolarHBondContact O-CE 3.43Å; T305-K310 PolarHBondContact O-NZ 2.95Å; T305-K310 WeakPolarHBondContact OG1-CE 3.3Å; T307-K310 WeakPolarHBondContact O-CG 3.47Å; M308-K310 PolarHBondContact O-N 2.95Å |
| 311 | V | 90.3 | Very high | 85.8 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.8 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | L216 I218 L226 F230 G309 I332 L333 | L216-V311 HydrophobicContact CD1-CG1 3.7Å; L216-V311 HydrophobicContact CD2-CG1 4.31Å; L216-V311 HydrophobicContact CG-CG1 4.08Å; I218-V311 HydrophobicContact CG1-CG1 4.16Å; I218-V311 HydrophobicContact CG1-CG2 4.33Å; L226-V311 HydrophobicContact CD1-CG2 3.67Å; F230-V311 HydrophobicContact CE2-CG1 3.87Å; F230-V311 HydrophobicContact CE2-CG2 4.43Å; F230-V311 HydrophobicContact CZ-CG1 3.99Å; G309-V311 VanDerWaalsContact C-N 3.27Å; G309-V311 PolarHBondContact O-N 2.86Å; V311-I332 HydrophobicContact CG1-CG1 4.1Å; V311-I332 HydrophobicContact CG1-CG2 4.27Å; V311-L333 WeakPolarHBondContact O-CB 3.44Å; V311-L333 PolarHBondContact O-N 2.91Å |
| 312 | V | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 114.6 | -174.2 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L216 F217 F294 Y299 F300 G309 L333 L335 | L216-V312 CarbonylContact C-O 3.47Å; L216-V312 WeakPolarHBondContact CA-O 3.47Å; F217-V312 HydrophobicContact CB-CB 4.25Å; F217-V312 PolarHBondContact N-O 2.66Å; F217-V312 PolarHBondContact O-N 3.06Å; F294-V312 HydrophobicContact CE1-CG1 4.32Å; F294-V312 HydrophobicContact CZ-CG1 4.41Å; Y299-V312 HydrophobicContact CD1-CG2 4.24Å; Y299-V312 HydrophobicContact CE1-CG2 3.46Å; Y299-V312 VanDerWaalsContact CE1-CG2 3.46Å; F300-V312 HydrophobicContact CZ-CG2 4.26Å; G309-V312 WeakPolarHBondContact O-CG2 3.36Å; V312-L333 CarbonylContact C-O 3.47Å; V312-L333 VanDerWaalsContact CA-O 3.31Å; V312-L333 WeakPolarHBondContact CA-O 3.27Å; V312-L333 HydrophobicContact CB-CD2 4.43Å; V312-L333 HydrophobicContact CG1-CD2 4.04Å; V312-L333 HydrophobicContact CG1-CG 4.45Å; V312-L333 HydrophobicContact CG2-CB 4.21Å; V312-L333 HydrophobicContact CG2-CD2 3.76Å; V312-L335 HydrophobicContact CG1-CB 4.43Å; V312-L335 HydrophobicContact CG1-CD1 3.49Å; V312-L335 VanDerWaalsContact CG1-CD1 3.49Å; V312-L335 HydrophobicContact CG1-CG 3.73Å |
| 313 | L | 89.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.9 | 165.4 | 174.2 | 54.8 | 0 | 0 | 0 | 108.5 | R215 L216 L261 V263 V315 V324 I332 L333 L334 L335 | R215-L313 CarbonylContact O-C 3.53Å; R215-L313 WeakPolarHBondContact O-CA 3.36Å; L216-L313 HydrophobicContact CD1-CB 4.09Å; L261-L313 HydrophobicContact CD2-CD2 4.37Å; V263-L313 HydrophobicContact CB-CD1 4.24Å; V263-L313 HydrophobicContact CG1-CD1 3.55Å; V263-L313 HydrophobicContact CG2-CD1 3.59Å; V263-L313 HydrophobicContact CG2-CD2 4.43Å; L313-V315 HydrophobicContact CD1-CG2 4.15Å; L313-V315 HydrophobicContact CG-CG2 4.13Å; L313-V324 HydrophobicContact CD2-CG1 4.35Å; L313-I332 HydrophobicContact CB-CG2 3.7Å; L313-L333 PolarHBondContact N-O 3.23Å; L313-L334 HydrophobicContact CB-CD1 4.12Å; L313-L334 HydrophobicContact CD2-CD1 3.79Å; L313-L334 HydrophobicContact CG-CD1 3.62Å; L313-L334 CarbonylContact O-C 3.57Å; L313-L334 VanDerWaalsContact O-CA 3.31Å; L313-L334 WeakPolarHBondContact O-CA 3.33Å; L313-L334 WeakPolarHBondContact O-CD1 3.27Å; L313-L335 PolarHBondContact O-N 2.86Å |
| 314 | Y | 87.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.2 | 174.9 | 175.7 | -119.2 | 0 | 0 | 0 | 110.5 | G214 R215 F217 F294 P316 L335 | G214-Y314 CarbonylContact C-O 3.29Å; G214-Y314 VanDerWaalsContact CA-O 3.28Å; G214-Y314 WeakPolarHBondContact CA-O 3.38Å; R215-Y314 PolarHBondContact N-O 2.85Å; R215-Y314 PolarHBondContact O-N 3.41Å; F217-Y314 HydrophobicContact CE2-CD1 4.06Å; F217-Y314 HydrophobicContact CE2-CG 4.16Å; F294-Y314 HydrophobicContact CB-CD1 3.96Å; F294-Y314 HydrophobicContact CB-CD2 3.72Å; F294-Y314 HydrophobicContact CB-CE1 3.76Å; F294-Y314 HydrophobicContact CB-CE2 3.54Å; F294-Y314 HydrophobicContact CB-CG 3.93Å; F294-Y314 HydrophobicContact CD1-CG 4.45Å; F294-Y314 HydrophobicContact CG-CD2 4.14Å; F294-Y314 HydrophobicContact CG-CE2 4.35Å; F294-Y314 HydrophobicContact CG-CG 4.35Å; Y314-P316 HydrophobicContact CD1-CG 4.28Å; Y314-P316 HydrophobicContact CE1-CB 4.45Å; Y314-P316 HydrophobicContact CE1-CG 3.66Å; Y314-L335 CarbonylContact C-O 3.55Å; Y314-L335 WeakPolarHBondContact CA-O 3.06Å; Y314-L335 HydrophobicContact CD2-CB 4.02Å |
| 315 | V | 85 | Confident | 82.8 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.7 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | T212 L261 L313 V317 M318 L334 L335 T336 G337 | T212-V315 WeakPolarHBondContact O-CG1 3.04Å; L261-V315 HydrophobicContact CD1-CG1 4.2Å; L261-V315 HydrophobicContact CD1-CG2 4.34Å; L261-V315 HydrophobicContact CD2-CG2 3.88Å; L313-V315 HydrophobicContact CD1-CG2 4.15Å; L313-V315 HydrophobicContact CG-CG2 4.13Å; V315-V317 PolarHBondContact O-N 3.48Å; V315-V317 VanDerWaalsContact O-N 3.15Å; V315-M318 HydrophobicContact CB-SD 3.99Å; V315-M318 HydrophobicContact CG1-CB 4.13Å; V315-M318 HydrophobicContact CG1-SD 4.28Å; V315-M318 HydrophobicContact CG2-SD 4.46Å; V315-L334 HydrophobicContact CG2-CD1 3.89Å; V315-L335 PolarHBondContact N-O 3.31Å; V315-T336 WeakPolarHBondContact O-CA 3.49Å; V315-T336 WeakPolarHBondContact O-CB 3.49Å; V315-T336 PolarHBondContact O-OG1 3.49Å; V315-G337 PolarHBondContact O-N 3.28Å |
| 316 | P | 76.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -52.9 | -39.3 | -175.5 | -28.6 | 33.6 | 0 | 0 | 0 | 114.2 | T212 L279 Y314 G337 N338 | T212-P316 WeakPolarHBondContact OG1-CD 3.5Å; L279-P316 HydrophobicContact CD1-CG 4.04Å; L279-P316 HydrophobicContact CD2-CB 4Å; L279-P316 HydrophobicContact CD2-CG 3.95Å; Y314-P316 HydrophobicContact CD1-CG 4.28Å; Y314-P316 HydrophobicContact CE1-CB 4.45Å; Y314-P316 HydrophobicContact CE1-CG 3.66Å; P316-G337 CarbonylContact O-C 3.56Å; P316-G337 VanDerWaalsContact O-C 3.3Å; P316-G337 WeakPolarHBondContact O-CA 3.39Å; P316-G337 PolarHBondContact O-N 2.86Å; P316-N338 PolarHBondContact O-N 2.8Å |
| 317 | V | 75.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -134.8 | 117.3 | -175.4 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | P209 Y211 T212 V315 Y340 | P209-V317 HydrophobicContact CB-CG1 3.69Å; P209-V317 HydrophobicContact CG-CG1 3.99Å; Y211-V317 WeakPolarHBondContact CA-O 3.45Å; T212-V317 HydrophobicContact CG2-CB 3.75Å; T212-V317 HydrophobicContact CG2-CG2 3.58Å; T212-V317 PolarHBondContact N-O 3.46Å; T212-V317 VanDerWaalsContact N-O 3.13Å; T212-V317 PolarHBondContact OG1-N 3.1Å; V315-V317 PolarHBondContact O-N 3.48Å; V315-V317 VanDerWaalsContact O-N 3.15Å; V317-Y340 HydrophobicContact CB-CD2 4.28Å; V317-Y340 HydrophobicContact CG1-CD2 3.85Å; V317-Y340 HydrophobicContact CG1-CG 4.41Å; V317-Y340 HydrophobicContact CG2-CD2 3.39Å; V317-Y340 HydrophobicContact CG2-CE2 3.62Å |
| 318 | M | 76.1 | Confident | 80.7 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | -152.6 | 158.5 | 169.9 | 69 | -168.2 | -53.9 | 0 | 0 | 111.4 | Y211 V315 S320 T321 V324 L334 T336 N338 | Y211-M318 HydrophobicContact CD1-CB 4.36Å; Y211-M318 HydrophobicContact CE1-CB 4.29Å; V315-M318 HydrophobicContact CB-SD 3.99Å; V315-M318 HydrophobicContact CG1-CB 4.13Å; V315-M318 HydrophobicContact CG1-SD 4.28Å; V315-M318 HydrophobicContact CG2-SD 4.46Å; M318-S320 VanDerWaalsContact CE-O 3.31Å; M318-S320 WeakPolarHBondContact CE-O 3.3Å; M318-T321 VanDerWaalsContact CE-CA 3.5Å; M318-T321 HydrophobicContact CE-CG2 3.95Å; M318-T321 HydrophobicContact CG-CG2 4.14Å; M318-T321 HydrophobicContact SD-CG2 3.31Å; M318-T321 WeakPolarHBondContact SD-CG2 3.45Å; M318-V324 HydrophobicContact CE-CG2 3.5Å; M318-V324 VanDerWaalsContact CE-CG2 3.5Å; M318-L334 HydrophobicContact CE-CD2 4.19Å; M318-L334 HydrophobicContact SD-CD1 4.39Å; M318-L334 HydrophobicContact SD-CD2 4.36Å; M318-T336 HydrophobicContact CG-CG2 4.14Å; M318-T336 WeakPolarHBondContact CG-OG1 3.27Å; M318-T336 HydrophobicContact SD-CG2 4.14Å; M318-N338 PolarHBondContact O-OD1 3.33Å | ||
| 319 | N | 68.7 | Low | 79.8 | Confident | 87 Ų | 87 | 28.2 Ų | 28.2 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -95.9 | -25 | -179.2 | -61 | -20.3 | 0 | 0 | 0 | 112.4 | Y211 A341 | Y211-N319 HydrophobicContact CE1-CB 3.71Å; Y211-N319 WeakPolarHBondContact OH-CB 3.32Å; Y211-N319 PolarHBondContact OH-N 2.87Å; N319-A341 WeakPolarHBondContact OD1-CB 3.43Å |
| 320 | S | 71.6 | Confident | 78.8 | Confident | 34 Ų | 34 | 29 Ų | 29 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | trans | -152.3 | 111.8 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | M318 M322 D323 | M318-S320 VanDerWaalsContact CE-O 3.31Å; M318-S320 WeakPolarHBondContact CE-O 3.3Å; S320-M322 VanDerWaalsContact C-N 3.27Å; S320-M322 PolarHBondContact OG-N 3.27Å; S320-D323 VanDerWaalsContact CB-OD2 3.27Å; S320-D323 WeakPolarHBondContact CB-OD2 3.4Å; S320-D323 PolarHBondContact OG-N 3.37Å; S320-D323 PolarHBondContact OG-OD2 3.22Å | ||
| 321 | T | 75.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -68.9 | -24.3 | 170.5 | 44 | 0 | 0 | 0 | 0 | 112.9 | M318 D323 V324 L334 T336 F350 | M318-T321 VanDerWaalsContact CE-CA 3.5Å; M318-T321 HydrophobicContact CE-CG2 3.95Å; M318-T321 HydrophobicContact CG-CG2 4.14Å; M318-T321 HydrophobicContact SD-CG2 3.31Å; M318-T321 WeakPolarHBondContact SD-CG2 3.45Å; T321-D323 VanDerWaalsContact C-N 3.27Å; T321-D323 PolarHBondContact O-N 3.05Å; T321-V324 WeakPolarHBondContact O-CB 3.37Å; T321-V324 PolarHBondContact O-N 2.96Å; T321-L334 HydrophobicContact CG2-CD2 3.82Å; T321-L334 HydrophobicContact CG2-CG 4.16Å; T321-T336 HydrophobicContact CG2-CG2 3.55Å; T321-F350 VanDerWaalsContact CB-CG 3.45Å; T321-F350 HydrophobicContact CG2-CD1 4.5Å; T321-F350 HydrophobicContact CG2-CD2 3.45Å; T321-F350 VanDerWaalsContact CG2-CD2 3.45Å; T321-F350 HydrophobicContact CG2-CE2 3.71Å; T321-F350 HydrophobicContact CG2-CG 3.91Å; T321-F350 HydrophobicContact CG2-CZ 4.37Å; T321-F350 WeakPolarHBondContact OG1-CD1 3.48Å; T321-F350 WeakPolarHBondContact OG1-CD2 3.12Å; T321-F350 WeakPolarHBondContact OG1-CE1 3.48Å; T321-F350 WeakPolarHBondContact OG1-CE2 3.42Å; T321-F350 VanDerWaalsContact OG1-CG 3.27Å; T321-F350 WeakPolarHBondContact OG1-CG 3.26Å; T321-F350 WeakPolarHBondContact OG1-CZ 3.48Å |
| 322 | M | 73.7 | Confident | 76.9 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 14% | 0.143 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -32.6 | 178.8 | -61 | -60.8 | -86.1 | 0 | 0 | 111.5 | S320 V324 F325 D326 F350 L402 Q404 V415 | S320-M322 VanDerWaalsContact C-N 3.27Å; S320-M322 PolarHBondContact OG-N 3.27Å; M322-V324 PolarHBondContact O-N 3.17Å; M322-F325 PolarHBondContact O-N 3.31Å; M322-D326 PolarHBondContact O-N 2.97Å; M322-D326 VanDerWaalsContact O-N 3.15Å; M322-F350 HydrophobicContact CG-CE1 4.26Å; M322-F350 HydrophobicContact SD-CD1 3.89Å; M322-F350 HydrophobicContact SD-CE1 3.74Å; M322-L402 HydrophobicContact CE-CD2 3.81Å; M322-L402 HydrophobicContact CE-CG 4.35Å; M322-L402 HydrophobicContact SD-CD2 4.48Å; M322-Q404 HydrophobicContact CE-CB 4.2Å; M322-Q404 HydrophobicContact CE-CG 3.55Å; M322-Q404 VanDerWaalsContact CE-NE2 3.28Å; M322-V415 HydrophobicContact CE-CG1 4.22Å; M322-V415 HydrophobicContact SD-CG1 4.06Å |
| 323 | D | 79.5 | Confident | 76 | Confident | 31 Ų | 31 | 32 Ų | 32 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -23.4 | -179.9 | -63.7 | -22.4 | 0 | 0 | 0 | 112.5 | K240 M241 S320 T321 | K240-D323 HydrophobicContact CB-CB 4.05Å; K240-D323 HydrophobicContact CD-CB 4Å; K240-D323 WeakPolarHBondContact CD-OD1 3.47Å; K240-D323 IonicContact NZ-OD1 2.75Å; K240-D323 PolarHBondContact NZ-OD1 3.3Å; M241-D323 WeakPolarHBondContact CB-O 3.16Å; S320-D323 VanDerWaalsContact CB-OD2 3.27Å; S320-D323 WeakPolarHBondContact CB-OD2 3.4Å; S320-D323 PolarHBondContact OG-N 3.37Å; S320-D323 PolarHBondContact OG-OD2 3.22Å; T321-D323 VanDerWaalsContact C-N 3.27Å; T321-D323 PolarHBondContact O-N 3.05Å |
| 324 | V | 81.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | M241 I243 L261 L313 M318 T321 M322 L328 L334 | M241-V324 HydrophobicContact CG-CG2 4.38Å; I243-V324 HydrophobicContact CD1-CG1 3.74Å; L261-V324 HydrophobicContact CD2-CG2 4.49Å; L313-V324 HydrophobicContact CD2-CG1 4.35Å; M318-V324 HydrophobicContact CE-CG2 3.5Å; M318-V324 VanDerWaalsContact CE-CG2 3.5Å; T321-V324 WeakPolarHBondContact O-CB 3.37Å; T321-V324 PolarHBondContact O-N 2.96Å; M322-V324 PolarHBondContact O-N 3.17Å; V324-L328 WeakPolarHBondContact O-CD1 3.37Å; V324-L334 HydrophobicContact CB-CD2 3.66Å; V324-L334 HydrophobicContact CG1-CD2 3.85Å; V324-L334 HydrophobicContact CG2-CD2 3.84Å |
| 325 | F | 77.4 | Confident | 74.2 | Confident | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -87.7 | -9.1 | 180 | -66.7 | -73.4 | 0 | 0 | 0 | 113.4 | M322 G327 L328 I332 L334 F350 V415 | M322-F325 PolarHBondContact O-N 3.31Å; F325-G327 PolarHBondContact O-N 3Å; F325-G327 VanDerWaalsContact O-N 3.12Å; F325-L328 PolarHBondContact O-N 2.75Å; F325-I332 WeakPolarHBondContact CZ-O 3.41Å; F325-L334 HydrophobicContact CD2-CD2 4.31Å; F325-L334 HydrophobicContact CE2-CB 3.56Å; F325-L334 HydrophobicContact CE2-CD2 3.74Å; F325-L334 HydrophobicContact CE2-CG 4.33Å; F325-L334 HydrophobicContact CZ-CB 3.6Å; F325-L334 HydrophobicContact CZ-CD2 4.43Å; F325-F350 HydrophobicContact CE2-CB 4.01Å; F325-V415 HydrophobicContact CB-CG1 3.89Å; F325-V415 HydrophobicContact CB-CG2 3.96Å; F325-V415 HydrophobicContact CD2-CG1 3.94Å; F325-V415 HydrophobicContact CG-CG1 4.05Å; F325-V415 HydrophobicContact CG-CG2 4.5Å |
| 326 | D | 79.7 | Confident | 73 | Confident | 55 Ų | 55 | 31.3 Ų | 31.3 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 112.1 | -179.9 | -172.9 | 16.2 | 0 | 0 | 0 | 111.5 | G238 N239 K240 M322 L328 | G238-D326 WeakPolarHBondContact CA-O 3.49Å; N239-D326 PolarHBondContact N-O 3.32Å; N239-D326 PolarHBondContact ND2-OD1 3.45Å; K240-D326 HydrophobicContact CD-CB 4.41Å; K240-D326 WeakPolarHBondContact CD-OD2 3.39Å; K240-D326 VanDerWaalsContact CE-OD2 3.27Å; K240-D326 WeakPolarHBondContact CE-OD2 3.45Å; K240-D326 WeakPolarHBondContact CG-OD2 3.39Å; M322-D326 PolarHBondContact O-N 2.97Å; M322-D326 VanDerWaalsContact O-N 3.15Å; D326-L328 PolarHBondContact O-N 3.45Å |
| 327 | G | 74.8 | Confident | 72 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -5.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F325 | F325-G327 PolarHBondContact O-N 3Å; F325-G327 VanDerWaalsContact O-N 3.12Å |
| 328 | L | 72.6 | Confident | 70.8 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | trans | -102.2 | 121 | -178.8 | -64.7 | -167.5 | 0 | 0 | 0 | 112.4 | I236 R237 G238 I243 V324 F325 D326 L330 | I236-L328 HydrophobicContact CB-CD2 4.49Å; I236-L328 HydrophobicContact CG2-CD1 4.38Å; I236-L328 HydrophobicContact CG2-CD2 3.41Å; I236-L328 VanDerWaalsContact CG2-CD2 3.41Å; R237-L328 VanDerWaalsContact C-CD2 3.49Å; R237-L328 WeakPolarHBondContact O-CD2 3.47Å; G238-L328 VanDerWaalsContact CA-CD2 3.42Å; G238-L328 VanDerWaalsContact N-CD2 3.33Å; I243-L328 HydrophobicContact CD1-CD1 3.51Å; I243-L328 HydrophobicContact CG1-CD1 4.08Å; V324-L328 WeakPolarHBondContact O-CD1 3.37Å; F325-L328 PolarHBondContact O-N 2.75Å; D326-L328 PolarHBondContact O-N 3.45Å; L328-L330 HydrophobicContact CB-CD1 4.2Å; L328-L330 HydrophobicContact CB-CG 4.34Å; L328-L330 HydrophobicContact CD1-CD1 3.91Å; L328-L330 PolarHBondContact O-N 3.1Å | ||
| 329 | R | 70.7 | Confident | 68.9 | Low | 189 Ų | 189 | 34.6 Ų | 34.6 | 71% | 0.713 | 20% | 0.196 | S | C | * | . | trans | -93.7 | 70 | 172.4 | -64.7 | -174.6 | -176.4 | -179.2 | 1.9 | 110.4 | L354 | R329-L354 VanDerWaalsContact C-CD1 3.5Å; R329-L354 HydrophobicContact CB-CD1 4.12Å; R329-L354 HydrophobicContact CB-CD2 4.43Å; R329-L354 WeakPolarHBondContact O-CD1 3Å | ||
| 330 | L | 68.5 | Low | 67.4 | Low | 29 Ų | 29 | 33.9 Ų | 33.9 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | trans | -113.6 | 119.2 | 179.8 | -69.4 | 172 | 0 | 0 | 0 | 111.1 | I236 I243 L328 I332 S352 | I236-L330 HydrophobicContact CD1-CD1 4.11Å; I236-L330 HydrophobicContact CD1-CD2 3.75Å; I236-L330 HydrophobicContact CD1-CG 4.45Å; I243-L330 HydrophobicContact CD1-CD1 4.36Å; L328-L330 HydrophobicContact CB-CD1 4.2Å; L328-L330 HydrophobicContact CB-CG 4.34Å; L328-L330 HydrophobicContact CD1-CD1 3.91Å; L328-L330 PolarHBondContact O-N 3.1Å; L330-I332 HydrophobicContact CB-CB 4.45Å; L330-I332 HydrophobicContact CB-CD1 4.03Å; L330-I332 HydrophobicContact CB-CG1 4.12Å; L330-I332 HydrophobicContact CD1-CD1 4.13Å; L330-I332 HydrophobicContact CD2-CD1 4.21Å; L330-I332 HydrophobicContact CG-CD1 4.35Å; L330-I332 PolarHBondContact O-N 2.79Å; L330-S352 PolarHBondContact O-OG 3.24Å | ||
| 331 | S | 70.1 | Confident | 65.8 | Low | 86 Ų | 86 | 34.1 Ų | 34.1 | 60% | 0.601 | 19% | 0.192 | S | C | * | . | trans | -76.5 | 65.8 | 168.7 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | L354 | S331-L354 WeakPolarHBondContact OG-CD1 3.5Š| ||
| 332 | I | 71.2 | Confident | 64.2 | Low | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -123.3 | 139.7 | -179.5 | -63.9 | 175.6 | 0 | 0 | 0 | 108.4 | F230 V311 L313 F325 L330 | F230-I332 HydrophobicContact CE1-CD1 3.67Å; F230-I332 HydrophobicContact CZ-CD1 3.76Å; F230-I332 HydrophobicContact CZ-CG1 4.28Å; V311-I332 HydrophobicContact CG1-CG1 4.1Å; V311-I332 HydrophobicContact CG1-CG2 4.27Å; L313-I332 HydrophobicContact CB-CG2 3.7Å; F325-I332 WeakPolarHBondContact CZ-O 3.41Å; L330-I332 HydrophobicContact CB-CB 4.45Å; L330-I332 HydrophobicContact CB-CD1 4.03Å; L330-I332 HydrophobicContact CB-CG1 4.12Å; L330-I332 HydrophobicContact CD1-CD1 4.13Å; L330-I332 HydrophobicContact CD2-CD1 4.21Å; L330-I332 HydrophobicContact CG-CD1 4.35Å; L330-I332 PolarHBondContact O-N 2.79Å | ||
| 333 | L | 71.5 | Confident | 62.9 | Low | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 119.3 | 166.4 | -174.4 | 69.2 | 0 | 0 | 0 | 109.2 | Y299 V311 V312 L313 L335 L349 F351 I448 L452 | Y299-L333 HydrophobicContact CE2-CD2 4.07Å; Y299-L333 VanDerWaalsContact OH-CD2 3.3Å; Y299-L333 WeakPolarHBondContact OH-CD2 3.23Å; V311-L333 WeakPolarHBondContact O-CB 3.44Å; V311-L333 PolarHBondContact O-N 2.91Å; V312-L333 CarbonylContact C-O 3.47Å; V312-L333 VanDerWaalsContact CA-O 3.31Å; V312-L333 WeakPolarHBondContact CA-O 3.27Å; V312-L333 HydrophobicContact CB-CD2 4.43Å; V312-L333 HydrophobicContact CG1-CD2 4.04Å; V312-L333 HydrophobicContact CG1-CG 4.45Å; V312-L333 HydrophobicContact CG2-CB 4.21Å; V312-L333 HydrophobicContact CG2-CD2 3.76Å; L313-L333 PolarHBondContact N-O 3.23Å; L333-L335 HydrophobicContact CD1-CD2 4.32Å; L333-L335 HydrophobicContact CD2-CD1 4.04Å; L333-L335 HydrophobicContact CD2-CD2 3.87Å; L333-L335 HydrophobicContact CD2-CG 3.98Å; L333-L335 HydrophobicContact CG-CD2 3.85Å; L333-L335 HydrophobicContact CG-CG 4.08Å; L333-L349 HydrophobicContact CD1-CD1 3.3Å; L333-L349 HydrophobicContact CD2-CD1 4.36Å; L333-L349 HydrophobicContact CG-CD1 4.15Å; L333-F351 HydrophobicContact CD1-CB 3.64Å; L333-F351 HydrophobicContact CD1-CG 4.48Å; L333-I448 HydrophobicContact CD2-CG2 4.15Å; L333-L452 HydrophobicContact CD1-CD1 3.6Å; L333-L452 HydrophobicContact CD1-CD2 3.94Å; L333-L452 HydrophobicContact CD1-CG 4.32Å; L333-L452 HydrophobicContact CD2-CD1 3.35Å; L333-L452 HydrophobicContact CG-CD1 4.06Å |
| 334 | L | 70.4 | Confident | 61.6 | Low | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.5 | 171.8 | 175.7 | 64.8 | 0 | 0 | 0 | 109.9 | L313 V315 M318 T321 V324 F325 F350 | L313-L334 HydrophobicContact CB-CD1 4.12Å; L313-L334 HydrophobicContact CD2-CD1 3.79Å; L313-L334 HydrophobicContact CG-CD1 3.62Å; L313-L334 CarbonylContact O-C 3.57Å; L313-L334 VanDerWaalsContact O-CA 3.31Å; L313-L334 WeakPolarHBondContact O-CA 3.33Å; L313-L334 WeakPolarHBondContact O-CD1 3.27Å; V315-L334 HydrophobicContact CG2-CD1 3.89Å; M318-L334 HydrophobicContact CE-CD2 4.19Å; M318-L334 HydrophobicContact SD-CD1 4.39Å; M318-L334 HydrophobicContact SD-CD2 4.36Å; T321-L334 HydrophobicContact CG2-CD2 3.82Å; T321-L334 HydrophobicContact CG2-CG 4.16Å; V324-L334 HydrophobicContact CB-CD2 3.66Å; V324-L334 HydrophobicContact CG1-CD2 3.85Å; V324-L334 HydrophobicContact CG2-CD2 3.84Å; F325-L334 HydrophobicContact CD2-CD2 4.31Å; F325-L334 HydrophobicContact CE2-CB 3.56Å; F325-L334 HydrophobicContact CE2-CD2 3.74Å; F325-L334 HydrophobicContact CE2-CG 4.33Å; F325-L334 HydrophobicContact CZ-CB 3.6Å; F325-L334 HydrophobicContact CZ-CD2 4.43Å; L334-F350 CarbonylContact C-O 3.51Å; L334-F350 HydrophobicContact CB-CB 4.18Å; L334-F350 PolarHBondContact N-O 3.14Å; L334-F350 WeakPolarHBondContact O-CA 3.19Å; L334-F350 WeakPolarHBondContact O-CB 3.44Å; L334-F350 PolarHBondContact O-N 3.01Å |
| 335 | L | 67.9 | Low | 60.5 | Low | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.4 | 173.9 | -57.2 | -174.8 | 0 | 0 | 0 | 109.1 | F294 V312 L313 Y314 V315 L333 L349 I448 | F294-L335 HydrophobicContact CD2-CD1 3.87Å; F294-L335 HydrophobicContact CE1-CD1 4.09Å; F294-L335 HydrophobicContact CE2-CD1 3.17Å; F294-L335 HydrophobicContact CZ-CD1 3.3Å; V312-L335 HydrophobicContact CG1-CB 4.43Å; V312-L335 HydrophobicContact CG1-CD1 3.49Å; V312-L335 VanDerWaalsContact CG1-CD1 3.49Å; V312-L335 HydrophobicContact CG1-CG 3.73Å; L313-L335 PolarHBondContact O-N 2.86Å; Y314-L335 CarbonylContact C-O 3.55Å; Y314-L335 WeakPolarHBondContact CA-O 3.06Å; Y314-L335 HydrophobicContact CD2-CB 4.02Å; V315-L335 PolarHBondContact N-O 3.31Å; L333-L335 HydrophobicContact CD1-CD2 4.32Å; L333-L335 HydrophobicContact CD2-CD1 4.04Å; L333-L335 HydrophobicContact CD2-CD2 3.87Å; L333-L335 HydrophobicContact CD2-CG 3.98Å; L333-L335 HydrophobicContact CG-CD2 3.85Å; L333-L335 HydrophobicContact CG-CG 4.08Å; L335-L349 HydrophobicContact CD2-CD1 3.59Å; L335-I448 HydrophobicContact CD1-CD1 4.12Å; L335-I448 HydrophobicContact CD1-CG2 4.17Å; L335-I448 HydrophobicContact CD2-CD1 3.94Å; L335-I448 HydrophobicContact CD2-CG2 3.82Å |
| 336 | T | 60.1 | Low | 59.7 | Low | 8 Ų | 8 | 39.7 Ų | 39.7 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.3 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | V315 M318 T321 N338 Y348 | V315-T336 WeakPolarHBondContact O-CA 3.49Å; V315-T336 WeakPolarHBondContact O-CB 3.49Å; V315-T336 PolarHBondContact O-OG1 3.49Å; M318-T336 HydrophobicContact CG-CG2 4.14Å; M318-T336 WeakPolarHBondContact CG-OG1 3.27Å; M318-T336 HydrophobicContact SD-CG2 4.14Å; T321-T336 HydrophobicContact CG2-CG2 3.55Å; T336-N338 VanDerWaalsContact C-N 3.26Å; T336-N338 HydrophobicContact CG2-CB 4.33Å; T336-N338 VanDerWaalsContact CG2-ND2 3.3Å; T336-N338 WeakPolarHBondContact CG2-ND2 3.33Å; T336-N338 VanDerWaalsContact CG2-OD1 3.26Å; T336-N338 WeakPolarHBondContact CG2-OD1 3.26Å; T336-N338 PolarHBondContact OG1-N 2.92Å; T336-N338 VanDerWaalsContact OG1-N 3.15Å; T336-N338 PolarHBondContact OG1-OD1 3.44Å; T336-Y348 HydrophobicContact CG2-CG 4.28Å |
| 337 | G | 54.5 | Low | 58.8 | Low | 24 Ų | 24 | 37.5 Ų | 37.5 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | trans | -76.2 | -18.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V315 P316 L339 | V315-G337 PolarHBondContact O-N 3.28Å; P316-G337 CarbonylContact O-C 3.56Å; P316-G337 VanDerWaalsContact O-C 3.3Å; P316-G337 WeakPolarHBondContact O-CA 3.39Å; P316-G337 PolarHBondContact O-N 2.86Å; G337-L339 PolarHBondContact O-N 2.89Å | ||
| 338 | N | 51.5 | Low | 58.4 | Low | 14 Ų | 14 | 37.5 Ų | 37.5 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | trans | 29 | 40.1 | -172.7 | -76.8 | -18.7 | 0 | 0 | 0 | 114.8 | P316 M318 T336 Y340 A341 S342 Y348 | P316-N338 PolarHBondContact O-N 2.8Å; M318-N338 PolarHBondContact O-OD1 3.33Å; T336-N338 VanDerWaalsContact C-N 3.26Å; T336-N338 HydrophobicContact CG2-CB 4.33Å; T336-N338 VanDerWaalsContact CG2-ND2 3.3Å; T336-N338 WeakPolarHBondContact CG2-ND2 3.33Å; T336-N338 VanDerWaalsContact CG2-OD1 3.26Å; T336-N338 WeakPolarHBondContact CG2-OD1 3.26Å; T336-N338 PolarHBondContact OG1-N 2.92Å; T336-N338 VanDerWaalsContact OG1-N 3.15Å; T336-N338 PolarHBondContact OG1-OD1 3.44Å; N338-Y340 PolarHBondContact O-N 3.46Å; N338-A341 PolarHBondContact O-N 3.46Å; N338-S342 WeakPolarHBondContact CB-OG 3.26Å; N338-S342 CarbonylContact O-C 3.47Å; N338-S342 PolarHBondContact O-N 2.85Å; N338-S342 PolarHBondContact O-OG 3.32Å; N338-Y348 HydrophobicContact CB-CD2 3.99Å; N338-Y348 HydrophobicContact CB-CE2 4.03Å; N338-Y348 VanDerWaalsContact ND2-CD2 3.34Å; N338-Y348 WeakPolarHBondContact ND2-CD2 3.36Å | ||
| 339 | L | 37.4 | Very low | 58.3 | Low | 37 Ų | 37 | 37.2 Ų | 37.2 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -19.5 | -175.5 | -80.8 | 156 | 0 | 0 | 0 | 114.1 | T290 G337 N344 | T290-L339 HydrophobicContact CG2-CD2 3.77Å; G337-L339 PolarHBondContact O-N 2.89Å; L339-N344 WeakPolarHBondContact CD2-OD1 3.49Å; L339-N344 PolarHBondContact O-OD1 3.5Å |
| 340 | Y | 37.1 | Very low | 58.2 | Low | 72 Ų | 72 | 29.1 Ų | 29.1 | 28% | 0.282 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -18 | -171.8 | -63.2 | -95.2 | 0 | 0 | 0 | 115.2 | Y206 P209 V317 N338 | Y206-Y340 PolarHBondContact OH-O 2.8Å; P209-Y340 HydrophobicContact CB-CD1 4.01Å; P209-Y340 HydrophobicContact CB-CD2 4.17Å; P209-Y340 HydrophobicContact CB-CG 3.59Å; P209-Y340 HydrophobicContact CG-CG 4.18Å; V317-Y340 HydrophobicContact CB-CD2 4.28Å; V317-Y340 HydrophobicContact CG1-CD2 3.85Å; V317-Y340 HydrophobicContact CG1-CG 4.41Å; V317-Y340 HydrophobicContact CG2-CD2 3.39Å; V317-Y340 HydrophobicContact CG2-CE2 3.62Å; N338-Y340 PolarHBondContact O-N 3.46Å |
| 341 | A | 37.3 | Very low | 58.3 | Low | 40 Ų | 40 | 28.2 Ų | 28.2 | 33% | 0.331 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -10.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N319 N338 | N319-A341 WeakPolarHBondContact OD1-CB 3.43Å; N338-A341 PolarHBondContact O-N 3.46Å |
| 342 | S | 41.1 | Very low | 58.2 | Low | 8 Ų | 8 | 24.7 Ų | 24.7 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -135.1 | 154.1 | 172.5 | 77.4 | 0 | 0 | 0 | 0 | 109.9 | N338 N344 Y348 | N338-S342 WeakPolarHBondContact CB-OG 3.26Å; N338-S342 CarbonylContact O-C 3.47Å; N338-S342 PolarHBondContact O-N 2.85Å; N338-S342 PolarHBondContact O-OG 3.32Å; S342-N344 PolarHBondContact O-N 2.84Å; S342-Y348 VanDerWaalsContact CB-CE2 3.45Å; S342-Y348 VanDerWaalsContact CB-OH 3.28Å; S342-Y348 WeakPolarHBondContact CB-OH 3.2Å; S342-Y348 WeakPolarHBondContact OG-CE2 3.21Å |
| 343 | I | 46.2 | Very low | 58.2 | Low | 40 Ų | 40 | 25.4 Ų | 25.4 | 21% | 0.205 | 15% | 0.147 | C | C | . | . | trans | -58.1 | 126.1 | 178.7 | -40.1 | 166.6 | 0 | 0 | 0 | 110.4 | D43 G345 I346 N424 | D43-I343 HydrophobicContact CB-CG1 3.95Å; I343-G345 PolarHBondContact O-N 2.83Å; I343-I346 HydrophobicContact CB-CD1 4.13Å; I343-I346 HydrophobicContact CG1-CD1 4.47Å; I343-I346 WeakPolarHBondContact O-CG1 3.42Å; I343-I346 PolarHBondContact O-N 2.92Å; I343-N424 WeakPolarHBondContact CB-ND2 3.45Å; I343-N424 WeakPolarHBondContact CD1-ND2 3.36Å; I343-N424 HydrophobicContact CG2-CB 4.41Å; I343-N424 WeakPolarHBondContact CG2-ND2 3.21Å; I343-N424 VanDerWaalsContact CG2-OD1 3.26Å; I343-N424 WeakPolarHBondContact CG2-OD1 3.11Å | ||
| 344 | N | 53.9 | Low | 57.9 | Low | 92 Ų | 92 | 27.6 Ų | 27.6 | 49% | 0.492 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 126.8 | 176.9 | -77.5 | -33.9 | 0 | 0 | 0 | 111.7 | L339 S342 N424 | L339-N344 WeakPolarHBondContact CD2-OD1 3.49Å; L339-N344 PolarHBondContact O-OD1 3.5Å; S342-N344 PolarHBondContact O-N 2.84Å; N344-N424 WeakPolarHBondContact O-CB 3.42Å |
| 345 | G | 57.6 | Low | 57.4 | Low | 31 Ų | 31 | 29.6 Ų | 29.6 | 32% | 0.32 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | 3.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I343 L422 A423 | I343-G345 PolarHBondContact O-N 2.83Å; G345-L422 WeakPolarHBondContact O-CA 3.31Å; G345-L422 WeakPolarHBondContact O-CB 3.45Å; G345-L422 PolarHBondContact O-N 3Å; G345-A423 PolarHBondContact O-N 2.98Å |
| 346 | I | 59.4 | Low | 57.4 | Low | 30 Ų | 30 | 29.9 Ų | 29.9 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.9 | 169.8 | -57.8 | 172.8 | 0 | 0 | 0 | 109.4 | I343 Y348 L420 N421 N424 | I343-I346 HydrophobicContact CB-CD1 4.13Å; I343-I346 HydrophobicContact CG1-CD1 4.47Å; I343-I346 WeakPolarHBondContact O-CG1 3.42Å; I343-I346 PolarHBondContact O-N 2.92Å; I346-Y348 HydrophobicContact CB-CD2 4.34Å; I346-Y348 HydrophobicContact CB-CE2 3.64Å; I346-Y348 HydrophobicContact CG2-CD2 3.92Å; I346-Y348 HydrophobicContact CG2-CE1 4.08Å; I346-Y348 HydrophobicContact CG2-CE2 3.31Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.44Å; I346-L420 CarbonylContact C-O 3.55Å; I346-L420 WeakPolarHBondContact CG2-O 3.46Å; I346-N421 HydrophobicContact CG1-CB 4.43Å; I346-N424 HydrophobicContact CG1-CB 4.39Å |
| 347 | A | 61.6 | Low | 57.6 | Low | 8 Ų | 8 | 32.6 Ų | 32.6 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L420 L422 A444 | A347-L420 PolarHBondContact N-O 2.74Å; A347-L420 PolarHBondContact O-N 3.2Å; A347-L422 HydrophobicContact CB-CD1 3.38Å; A347-L422 HydrophobicContact CB-CG 3.72Å; A347-A444 HydrophobicContact CB-CB 4Å |
| 348 | Y | 65.3 | Low | 58.1 | Low | 48 Ų | 48 | 41 Ų | 41 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.9 | 175.4 | -73 | -79.2 | 0 | 0 | 0 | 110.6 | T336 N338 S342 I346 F350 | T336-Y348 HydrophobicContact CG2-CG 4.28Å; N338-Y348 HydrophobicContact CB-CD2 3.99Å; N338-Y348 HydrophobicContact CB-CE2 4.03Å; N338-Y348 VanDerWaalsContact ND2-CD2 3.34Å; N338-Y348 WeakPolarHBondContact ND2-CD2 3.36Å; S342-Y348 VanDerWaalsContact CB-CE2 3.45Å; S342-Y348 VanDerWaalsContact CB-OH 3.28Å; S342-Y348 WeakPolarHBondContact CB-OH 3.2Å; S342-Y348 WeakPolarHBondContact OG-CE2 3.21Å; I346-Y348 HydrophobicContact CB-CD2 4.34Å; I346-Y348 HydrophobicContact CB-CE2 3.64Å; I346-Y348 HydrophobicContact CG2-CD2 3.92Å; I346-Y348 HydrophobicContact CG2-CE1 4.08Å; I346-Y348 HydrophobicContact CG2-CE2 3.31Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.44Å; Y348-F350 AromaticContact CD1-CE2 3.91Å; Y348-F350 HydrophobicContact CD1-CE2 3.91Å; Y348-F350 HydrophobicContact CD1-CZ 4.44Å; Y348-F350 HydrophobicContact CG-CE2 4.32Å |
| 349 | L | 70.9 | Confident | 58.9 | Low | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119 | 176.2 | 174.3 | 60.6 | 0 | 0 | 0 | 109 | L333 L335 F351 M372 C418 I448 A451 L452 | L333-L349 HydrophobicContact CD1-CD1 3.3Å; L333-L349 HydrophobicContact CD2-CD1 4.36Å; L333-L349 HydrophobicContact CG-CD1 4.15Å; L335-L349 HydrophobicContact CD2-CD1 3.59Å; L349-F351 HydrophobicContact CD2-CD1 4.41Å; L349-F351 HydrophobicContact CD2-CE1 4.44Å; L349-F351 HydrophobicContact CG-CD1 4.2Å; L349-M372 HydrophobicContact CD2-CE 4.31Å; L349-C418 HydrophobicContact CB-CB 4.26Å; L349-C418 PolarHBondContact N-O 3.3Å; L349-C418 PolarHBondContact O-N 2.9Å; L349-I448 HydrophobicContact CD1-CG2 3.53Å; L349-A451 HydrophobicContact CD2-CB 4.04Å; L349-L452 HydrophobicContact CD1-CD1 4.43Å; L349-L452 HydrophobicContact CD1-CD2 4.35Å; L349-L452 HydrophobicContact CD1-CG 4.45Å; L349-L452 HydrophobicContact CD2-CD2 4.29Å; L349-L452 HydrophobicContact CD2-CG 4.45Å |
| 350 | F | 68.9 | Low | 60.8 | Low | 20 Ų | 20 | 42 Ų | 42 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.6 | 171.9 | -69.3 | -100.7 | 0 | 0 | 0 | 110.8 | T321 M322 F325 L334 Y348 V416 | T321-F350 VanDerWaalsContact CB-CG 3.45Å; T321-F350 HydrophobicContact CG2-CD1 4.5Å; T321-F350 HydrophobicContact CG2-CD2 3.45Å; T321-F350 VanDerWaalsContact CG2-CD2 3.45Å; T321-F350 HydrophobicContact CG2-CE2 3.71Å; T321-F350 HydrophobicContact CG2-CG 3.91Å; T321-F350 HydrophobicContact CG2-CZ 4.37Å; T321-F350 WeakPolarHBondContact OG1-CD1 3.48Å; T321-F350 WeakPolarHBondContact OG1-CD2 3.12Å; T321-F350 WeakPolarHBondContact OG1-CE1 3.48Å; T321-F350 WeakPolarHBondContact OG1-CE2 3.42Å; T321-F350 VanDerWaalsContact OG1-CG 3.27Å; T321-F350 WeakPolarHBondContact OG1-CG 3.26Å; T321-F350 WeakPolarHBondContact OG1-CZ 3.48Å; M322-F350 HydrophobicContact CG-CE1 4.26Å; M322-F350 HydrophobicContact SD-CD1 3.89Å; M322-F350 HydrophobicContact SD-CE1 3.74Å; F325-F350 HydrophobicContact CE2-CB 4.01Å; L334-F350 CarbonylContact C-O 3.51Å; L334-F350 HydrophobicContact CB-CB 4.18Å; L334-F350 PolarHBondContact N-O 3.14Å; L334-F350 WeakPolarHBondContact O-CA 3.19Å; L334-F350 WeakPolarHBondContact O-CB 3.44Å; L334-F350 PolarHBondContact O-N 3.01Å; Y348-F350 AromaticContact CD1-CE2 3.91Å; Y348-F350 HydrophobicContact CD1-CE2 3.91Å; Y348-F350 HydrophobicContact CD1-CZ 4.44Å; Y348-F350 HydrophobicContact CG-CE2 4.32Å; F350-V416 CarbonylContact C-O 3.56Å; F350-V416 WeakPolarHBondContact CA-O 3.24Å |
| 351 | F | 71.3 | Confident | 62.7 | Low | 9 Ų | 9 | 40.9 Ų | 40.9 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.8 | 175.5 | 66.4 | -84.2 | 0 | 0 | 0 | 111.2 | L333 L349 F365 V416 L452 M455 | L333-F351 HydrophobicContact CD1-CB 3.64Å; L333-F351 HydrophobicContact CD1-CG 4.48Å; L349-F351 HydrophobicContact CD2-CD1 4.41Å; L349-F351 HydrophobicContact CD2-CE1 4.44Å; L349-F351 HydrophobicContact CG-CD1 4.2Å; F351-F365 HydrophobicContact CE2-CZ 4.36Å; F351-V416 HydrophobicContact CD1-CB 4Å; F351-V416 HydrophobicContact CD1-CG1 4.3Å; F351-V416 HydrophobicContact CD2-CG2 4.49Å; F351-V416 HydrophobicContact CE1-CB 3.7Å; F351-V416 HydrophobicContact CE1-CG1 3.68Å; F351-V416 HydrophobicContact CE1-CG2 4.08Å; F351-V416 HydrophobicContact CE2-CB 4.32Å; F351-V416 HydrophobicContact CE2-CG2 3.93Å; F351-V416 HydrophobicContact CG-CB 4.43Å; F351-V416 HydrophobicContact CZ-CB 3.86Å; F351-V416 HydrophobicContact CZ-CG1 4.05Å; F351-V416 HydrophobicContact CZ-CG2 3.69Å; F351-V416 PolarHBondContact N-O 3.12Å; F351-V416 PolarHBondContact O-N 3.39Å; F351-L452 HydrophobicContact CD1-CD2 3.96Å; F351-L452 HydrophobicContact CE1-CD2 4.24Å; F351-L452 HydrophobicContact CG-CD2 4.22Å; F351-M455 HydrophobicContact CE2-CE 4.23Å; F351-M455 HydrophobicContact CE2-CG 4.14Å; F351-M455 HydrophobicContact CZ-CE 3.9Å; F351-M455 HydrophobicContact CZ-CG 3.73Å; F351-M455 HydrophobicContact CZ-SD 4.17Å |
| 352 | S | 67.7 | Low | 64.6 | Low | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.3 | 168.3 | 88.2 | 0 | 0 | 0 | 0 | 110.4 | L330 F414 | L330-S352 PolarHBondContact O-OG 3.24Å; S352-F414 CarbonylContact C-O 3.54Å; S352-F414 WeakPolarHBondContact CA-O 3.38Å |
| 353 | L | 70.1 | Confident | 66.5 | Low | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 107.5 | 162.8 | -179.9 | 63.7 | 0 | 0 | 0 | 107.4 | M308 A356 F365 N413 F414 V459 | M308-L353 HydrophobicContact CE-CD1 3.66Å; L353-A356 HydrophobicContact CD2-CB 4.18Å; L353-A356 HydrophobicContact CG-CB 4.46Å; L353-F365 HydrophobicContact CB-CZ 3.86Å; L353-F365 HydrophobicContact CD2-CE2 3.39Å; L353-F365 HydrophobicContact CD2-CZ 3.48Å; L353-F365 VanDerWaalsContact CD2-CZ 3.48Å; L353-F365 HydrophobicContact CG-CZ 4.32Å; L353-N413 WeakPolarHBondContact O-CA 3.45Å; L353-F414 HydrophobicContact CB-CB 4.47Å; L353-F414 PolarHBondContact N-O 2.88Å; L353-F414 PolarHBondContact O-N 2.97Å; L353-V459 HydrophobicContact CD2-CG1 4.43Å; L353-V459 HydrophobicContact CD2-CG2 4.1Å |
| 354 | L | 65.8 | Low | 68.3 | Low | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 145.6 | 178.3 | -56.6 | -177.1 | 0 | 0 | 0 | 110.8 | R329 S331 A356 N413 | R329-L354 VanDerWaalsContact C-CD1 3.5Å; R329-L354 HydrophobicContact CB-CD1 4.12Å; R329-L354 HydrophobicContact CB-CD2 4.43Å; R329-L354 WeakPolarHBondContact O-CD1 3Å; S331-L354 WeakPolarHBondContact OG-CD1 3.5Å; L354-A356 PolarHBondContact O-N 2.83Å; L354-N413 WeakPolarHBondContact CA-OD1 3.28Å; L354-N413 HydrophobicContact CD2-CB 3.97Å |
| 355 | G | 60.7 | Low | 69.8 | Low | 44 Ų | 44 | 35.5 Ų | 35.5 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | 21 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S357 C412 N413 | G355-S357 PolarHBondContact O-N 3.16Å; G355-C412 PolarHBondContact N-O 3.29Å; G355-N413 PolarHBondContact N-OD1 3.41Å |
| 356 | A | 66.5 | Low | 71.2 | Confident | 8 Ų | 8 | 36 Ų | 36 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 131 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L353 L354 F360 C412 F414 | L353-A356 HydrophobicContact CD2-CB 4.18Å; L353-A356 HydrophobicContact CG-CB 4.46Å; L354-A356 PolarHBondContact O-N 2.83Å; A356-F360 HydrophobicContact CB-CB 4.23Å; A356-F360 HydrophobicContact CB-CD2 3.87Å; A356-F360 HydrophobicContact CB-CE2 4.42Å; A356-F360 HydrophobicContact CB-CG 3.98Å; A356-C412 WeakPolarHBondContact CB-O 3.25Å; A356-C412 PolarHBondContact N-O 3.42Å; A356-C412 PolarHBondContact O-N 3.28Å; A356-F414 HydrophobicContact CB-CD2 4Å; A356-F414 HydrophobicContact CB-CE2 3.68Å |
| 357 | S | 64.8 | Low | 72.5 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | trans | -82.2 | -171 | -171.1 | 65.7 | 0 | 0 | 0 | 0 | 113 | G355 G359 | G355-S357 PolarHBondContact O-N 3.16Å; S357-G359 PolarHBondContact O-N 3.22Å | ||
| 358 | K | 65.5 | Low | 73.9 | Confident | 202 Ų | 202 | 35 Ų | 35 | 88% | 0.878 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 134.2 | 176.8 | -74.5 | -177.7 | 177.7 | 177.9 | 0 | 110.7 | ||
| 359 | G | 68.8 | Low | 75 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 112.9 | -20.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | S357 | S357-G359 PolarHBondContact O-N 3.22Š|
| 360 | F | 76 | Confident | 75.9 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -80.5 | 129.7 | 174.3 | -72.1 | -86 | 0 | 0 | 0 | 111.7 | A356 F365 I368 F414 V459 V462 E463 | A356-F360 HydrophobicContact CB-CB 4.23Å; A356-F360 HydrophobicContact CB-CD2 3.87Å; A356-F360 HydrophobicContact CB-CE2 4.42Å; A356-F360 HydrophobicContact CB-CG 3.98Å; F360-F365 AromaticContact CD1-CD2 3.74Å; F360-F365 HydrophobicContact CD1-CD2 3.74Å; F360-F365 HydrophobicContact CD1-CE2 4.19Å; F360-F365 AromaticContact CE1-CD2 3.94Å; F360-F365 HydrophobicContact CE1-CD2 3.94Å; F360-F365 HydrophobicContact CE1-CE2 4.04Å; F360-I368 HydrophobicContact CE1-CD1 4.36Å; F360-F414 HydrophobicContact CB-CE2 3.84Å; F360-F414 HydrophobicContact CB-CZ 4Å; F360-F414 HydrophobicContact CD1-CE2 4.48Å; F360-F414 HydrophobicContact CG-CE2 4.36Å; F360-V459 HydrophobicContact CE1-CG2 4.35Å; F360-V459 HydrophobicContact CZ-CB 4.34Å; F360-V459 HydrophobicContact CZ-CG1 3.88Å; F360-V459 HydrophobicContact CZ-CG2 4.42Å; F360-V462 HydrophobicContact CD1-CB 4.48Å; F360-V462 HydrophobicContact CD1-CG1 3.88Å; F360-V462 HydrophobicContact CD2-CG1 3.96Å; F360-V462 HydrophobicContact CE1-CB 3.76Å; F360-V462 HydrophobicContact CE1-CG1 3.64Å; F360-V462 HydrophobicContact CE1-CG2 4.04Å; F360-V462 HydrophobicContact CE2-CB 4.16Å; F360-V462 HydrophobicContact CE2-CG1 3.72Å; F360-V462 HydrophobicContact CG-CG1 4.04Å; F360-V462 HydrophobicContact CZ-CB 3.57Å; F360-V462 HydrophobicContact CZ-CG1 3.54Å; F360-V462 HydrophobicContact CZ-CG2 4.32Å; F360-E463 HydrophobicContact CE2-CG 3.94Å; F360-E463 HydrophobicContact CZ-CG 4.29Å | ||
| 361 | S | 77.6 | Confident | 77 | Confident | 50 Ų | 50 | 31.5 Ų | 31.5 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | trans | -122.4 | 153.6 | 164.6 | 65.4 | 0 | 0 | 0 | 0 | 109 | S363 L364 F365 | S361-S363 PolarHBondContact O-N 3.05Å; S361-L364 PolarHBondContact O-N 3.5Å; S361-L364 VanDerWaalsContact O-N 3.13Å; S361-L364 WeakPolarHBondContact OG-CB 3.46Å; S361-L364 PolarHBondContact OG-N 2.78Å; S361-F365 PolarHBondContact O-N 3.17Å | ||
| 362 | S | 77.5 | Confident | 77.9 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.2 | -44.3 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | L364 F365 Q366 S405 | S362-L364 PolarHBondContact O-N 3.01Å; S362-F365 PolarHBondContact O-N 3.46Å; S362-Q366 VanDerWaalsContact O-CG 3.28Å; S362-Q366 WeakPolarHBondContact O-CG 3.35Å; S362-Q366 PolarHBondContact O-N 3.34Å; S362-S405 PolarHBondContact OG-OG 3.06Å |
| 363 | S | 81.4 | Confident | 78.7 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 113.8 | S361 K367 H502 G503 | S361-S363 PolarHBondContact O-N 3.05Å; S363-K367 WeakPolarHBondContact O-CD 3.28Å; S363-K367 VanDerWaalsContact O-CG 3.3Å; S363-K367 WeakPolarHBondContact O-CG 3.37Å; S363-K367 PolarHBondContact O-N 2.61Å; S363-K367 PolarHBondContact O-NZ 3.3Å; S363-K367 VanDerWaalsContact O-NZ 3.11Å; S363-K367 PolarHBondContact OG-NZ 2.88Å; S363-H502 WeakPolarHBondContact CB-O 3.5Å; S363-H502 PolarHBondContact OG-O 3.01Å; S363-G503 WeakPolarHBondContact OG-CA 3.37Å |
| 364 | L | 83.8 | Confident | 79.5 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 175.1 | 178.5 | 61.8 | 0 | 0 | 0 | 110.9 | S361 S362 Q366 K367 I368 V462 T467 | S361-L364 PolarHBondContact O-N 3.5Å; S361-L364 VanDerWaalsContact O-N 3.13Å; S361-L364 WeakPolarHBondContact OG-CB 3.46Å; S361-L364 PolarHBondContact OG-N 2.78Å; S362-L364 PolarHBondContact O-N 3.01Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.17Å; L364-K367 WeakPolarHBondContact O-CB 3Å; L364-K367 PolarHBondContact O-N 3.16Å; L364-K367 VanDerWaalsContact O-N 3.16Å; L364-I368 HydrophobicContact CD1-CG2 4.1Å; L364-I368 HydrophobicContact CG-CG2 4.43Å; L364-I368 PolarHBondContact O-N 3.25Å; L364-V462 HydrophobicContact CD2-CG1 3.95Å; L364-V462 HydrophobicContact CD2-CG2 3.97Å; L364-T467 HydrophobicContact CD2-CG2 3.95Å |
| 365 | F | 85.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | -177.1 | -155.2 | -109.1 | 0 | 0 | 0 | 112.7 | F351 L353 F360 S361 S362 K367 I368 T369 V403 F414 V416 M455 V459 | F351-F365 HydrophobicContact CE2-CZ 4.36Å; L353-F365 HydrophobicContact CB-CZ 3.86Å; L353-F365 HydrophobicContact CD2-CE2 3.39Å; L353-F365 HydrophobicContact CD2-CZ 3.48Å; L353-F365 VanDerWaalsContact CD2-CZ 3.48Å; L353-F365 HydrophobicContact CG-CZ 4.32Å; F360-F365 AromaticContact CD1-CD2 3.74Å; F360-F365 HydrophobicContact CD1-CD2 3.74Å; F360-F365 HydrophobicContact CD1-CE2 4.19Å; F360-F365 AromaticContact CE1-CD2 3.94Å; F360-F365 HydrophobicContact CE1-CD2 3.94Å; F360-F365 HydrophobicContact CE1-CE2 4.04Å; S361-F365 PolarHBondContact O-N 3.17Å; S362-F365 PolarHBondContact O-N 3.46Å; F365-K367 VanDerWaalsContact C-N 3.32Å; F365-K367 PolarHBondContact O-N 2.91Å; F365-I368 HydrophobicContact CD2-CD1 3.73Å; F365-I368 HydrophobicContact CD2-CG1 4.24Å; F365-I368 HydrophobicContact CE2-CD1 4Å; F365-I368 WeakPolarHBondContact O-CG1 3.34Å; F365-T369 WeakPolarHBondContact O-CB 2.93Å; F365-T369 PolarHBondContact O-N 3.27Å; F365-T369 VanDerWaalsContact O-N 3.1Å; F365-T369 PolarHBondContact O-OG1 3.09Å; F365-V403 HydrophobicContact CD1-CG1 3.79Å; F365-V403 HydrophobicContact CD1-CG2 4.32Å; F365-F414 HydrophobicContact CB-CD1 4.1Å; F365-F414 HydrophobicContact CB-CE1 4.03Å; F365-F414 HydrophobicContact CB-CG 4.48Å; F365-F414 HydrophobicContact CB-CZ 4.31Å; F365-F414 HydrophobicContact CD1-CB 3.6Å; F365-F414 AromaticContact CD1-CD1 3.84Å; F365-F414 HydrophobicContact CD1-CD1 3.84Å; F365-F414 HydrophobicContact CD1-CD2 4.19Å; F365-F414 AromaticContact CD1-CG 3.61Å; F365-F414 HydrophobicContact CD1-CG 3.61Å; F365-F414 HydrophobicContact CD2-CD2 4.24Å; F365-F414 HydrophobicContact CD2-CE2 4.42Å; F365-F414 HydrophobicContact CD2-CG 4.44Å; F365-F414 HydrophobicContact CE1-CB 3.36Å; F365-F414 HydrophobicContact CE1-CD1 4.45Å; F365-F414 HydrophobicContact CE1-CD2 4.23Å; F365-F414 AromaticContact CE1-CG 3.79Å; F365-F414 HydrophobicContact CE1-CG 3.79Å; F365-F414 HydrophobicContact CE2-CD2 4.33Å; F365-F414 HydrophobicContact CG-CB 4.39Å; F365-F414 HydrophobicContact CG-CD1 4.03Å; F365-F414 HydrophobicContact CG-CD2 4.16Å; F365-F414 HydrophobicContact CG-CE1 4.34Å; F365-F414 HydrophobicContact CG-CE2 4.43Å; F365-F414 AromaticContact CG-CG 3.93Å; F365-F414 HydrophobicContact CG-CG 3.93Å; F365-F414 HydrophobicContact CZ-CB 4.05Å; F365-F414 HydrophobicContact CZ-CD2 4.32Å; F365-F414 HydrophobicContact CZ-CG 4.32Å; F365-V416 HydrophobicContact CD1-CG2 3.95Å; F365-V416 HydrophobicContact CE1-CG2 3.32Å; F365-V416 HydrophobicContact CZ-CG2 4.33Å; F365-M455 HydrophobicContact CD1-CE 4.46Å; F365-M455 HydrophobicContact CD2-CE 4.06Å; F365-M455 HydrophobicContact CE1-CE 3.83Å; F365-M455 HydrophobicContact CE2-CE 3.32Å; F365-M455 HydrophobicContact CZ-CE 3.21Å; F365-V459 HydrophobicContact CE2-CG2 4.18Å |
| 366 | Q | 85.7 | Confident | 81.4 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 173 | -66.7 | 171.6 | 0.2 | 0 | 0 | 112.1 | S362 L364 T369 A370 N388 V403 | S362-Q366 VanDerWaalsContact O-CG 3.28Å; S362-Q366 WeakPolarHBondContact O-CG 3.35Å; S362-Q366 PolarHBondContact O-N 3.34Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.17Å; Q366-T369 PolarHBondContact O-N 3.05Å; Q366-A370 PolarHBondContact O-N 2.99Å; Q366-N388 HydrophobicContact CB-CB 4.46Å; Q366-N388 VanDerWaalsContact CB-CG 3.41Å; Q366-N388 WeakPolarHBondContact CB-OD1 2.84Å; Q366-N388 PolarHBondContact OE1-ND2 3.04Å; Q366-N388 PolarHBondContact OE1-OD1 3.4Å; Q366-V403 HydrophobicContact CB-CG2 4.1Å; Q366-V403 HydrophobicContact CG-CB 3.51Å; Q366-V403 HydrophobicContact CG-CG1 4.33Å; Q366-V403 HydrophobicContact CG-CG2 3.54Å |
| 367 | K | 87.6 | Confident | 82 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -46.3 | 179.4 | -69.5 | 166.5 | -179.6 | 63.3 | 0 | 112.9 | S363 L364 F365 T369 A370 L371 Y474 L499 G503 | S363-K367 WeakPolarHBondContact O-CD 3.28Å; S363-K367 VanDerWaalsContact O-CG 3.3Å; S363-K367 WeakPolarHBondContact O-CG 3.37Å; S363-K367 PolarHBondContact O-N 2.61Å; S363-K367 PolarHBondContact O-NZ 3.3Å; S363-K367 VanDerWaalsContact O-NZ 3.11Å; S363-K367 PolarHBondContact OG-NZ 2.88Å; L364-K367 WeakPolarHBondContact O-CB 3Å; L364-K367 PolarHBondContact O-N 3.16Å; L364-K367 VanDerWaalsContact O-N 3.16Å; F365-K367 VanDerWaalsContact C-N 3.32Å; F365-K367 PolarHBondContact O-N 2.91Å; K367-T369 VanDerWaalsContact C-N 3.28Å; K367-T369 PolarHBondContact O-N 3.45Å; K367-A370 PolarHBondContact O-N 2.88Å; K367-L371 VanDerWaalsContact O-CB 3.3Å; K367-L371 WeakPolarHBondContact O-CB 3.39Å; K367-L371 PolarHBondContact O-N 2.92Å; K367-Y474 HydrophobicContact CB-CD2 3.68Å; K367-Y474 HydrophobicContact CB-CE2 3.76Å; K367-Y474 HydrophobicContact CB-CG 4.46Å; K367-Y474 HydrophobicContact CG-CD2 3.97Å; K367-Y474 HydrophobicContact CG-CE2 3.66Å; K367-L499 HydrophobicContact CD-CD1 4.27Å; K367-G503 VanDerWaalsContact CE-CA 3.5Å; K367-G503 WeakPolarHBondContact CE-O 3.44Å; K367-G503 PolarHBondContact NZ-O 2.95Å |
| 368 | I | 89.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68 | -32.1 | 179.9 | 66.9 | 173.1 | 0 | 0 | 0 | 111.4 | F360 L364 F365 L371 M372 M455 F458 V459 V462 L470 | F360-I368 HydrophobicContact CE1-CD1 4.36Å; L364-I368 HydrophobicContact CD1-CG2 4.1Å; L364-I368 HydrophobicContact CG-CG2 4.43Å; L364-I368 PolarHBondContact O-N 3.25Å; F365-I368 HydrophobicContact CD2-CD1 3.73Å; F365-I368 HydrophobicContact CD2-CG1 4.24Å; F365-I368 HydrophobicContact CE2-CD1 4Å; F365-I368 WeakPolarHBondContact O-CG1 3.34Å; I368-L371 PolarHBondContact O-N 3.27Å; I368-M372 WeakPolarHBondContact O-CB 3.47Å; I368-M372 PolarHBondContact O-N 3.44Å; I368-M455 HydrophobicContact CD1-CE 3.77Å; I368-M455 HydrophobicContact CD1-SD 4.42Å; I368-M455 HydrophobicContact CG1-CE 3.91Å; I368-M455 HydrophobicContact CG1-SD 4.3Å; I368-F458 HydrophobicContact CB-CB 4.18Å; I368-F458 HydrophobicContact CB-CD2 4.32Å; I368-F458 HydrophobicContact CD1-CB 4.39Å; I368-F458 WeakPolarHBondContact O-CD2 3.19Å; I368-V459 HydrophobicContact CD1-CG2 4.4Å; I368-V462 HydrophobicContact CD1-CG2 4.31Å; I368-L470 HydrophobicContact CG2-CB 4.39Å; I368-L470 HydrophobicContact CG2-CD1 3.78Å; I368-L470 HydrophobicContact CG2-CG 4.47Å |
| 369 | T | 89.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 111 | F365 Q366 K367 L371 M372 V401 V416 | F365-T369 WeakPolarHBondContact O-CB 2.93Å; F365-T369 PolarHBondContact O-N 3.27Å; F365-T369 VanDerWaalsContact O-N 3.1Å; F365-T369 PolarHBondContact O-OG1 3.09Å; Q366-T369 PolarHBondContact O-N 3.05Å; K367-T369 VanDerWaalsContact C-N 3.28Å; K367-T369 PolarHBondContact O-N 3.45Å; T369-L371 VanDerWaalsContact C-N 3.34Å; T369-L371 PolarHBondContact O-N 3.39Å; T369-M372 HydrophobicContact CG2-CE 3.67Å; T369-M372 WeakPolarHBondContact O-CB 3.41Å; T369-M372 WeakPolarHBondContact O-CE 3.42Å; T369-M372 PolarHBondContact O-N 3.49Å; T369-V401 HydrophobicContact CG2-CB 4.29Å; T369-V401 HydrophobicContact CG2-CG1 3.39Å; T369-V401 HydrophobicContact CG2-CG2 3.86Å; T369-V416 HydrophobicContact CG2-CG1 3.45Å; T369-V416 VanDerWaalsContact CG2-CG1 3.45Å |
| 370 | A | 90 | Very high | 83.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q366 K367 M372 V373 L384 V401 | Q366-A370 PolarHBondContact O-N 2.99Å; K367-A370 PolarHBondContact O-N 2.88Å; A370-M372 VanDerWaalsContact C-N 3.27Å; A370-M372 PolarHBondContact O-N 2.9Å; A370-V373 PolarHBondContact O-N 3.31Å; A370-L384 HydrophobicContact CB-CD2 3.81Å; A370-V401 HydrophobicContact CB-CG2 4.36Å |
| 371 | L | 90.9 | Very high | 83.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 175.3 | -176 | 64.1 | 0 | 0 | 0 | 112.4 | K367 I368 T369 V373 I374 F375 L384 F458 L470 L473 Y477 | K367-L371 VanDerWaalsContact O-CB 3.3Å; K367-L371 WeakPolarHBondContact O-CB 3.39Å; K367-L371 PolarHBondContact O-N 2.92Å; I368-L371 PolarHBondContact O-N 3.27Å; T369-L371 VanDerWaalsContact C-N 3.34Å; T369-L371 PolarHBondContact O-N 3.39Å; L371-V373 VanDerWaalsContact C-N 3.28Å; L371-V373 PolarHBondContact O-N 3.18Å; L371-I374 PolarHBondContact O-N 3.17Å; L371-F375 WeakPolarHBondContact O-CB 2.98Å; L371-F375 PolarHBondContact O-N 3.19Å; L371-L384 HydrophobicContact CD1-CD1 4.38Å; L371-F458 HydrophobicContact CB-CE2 4.12Å; L371-F458 HydrophobicContact CD2-CE1 4.5Å; L371-F458 HydrophobicContact CD2-CE2 3.99Å; L371-F458 HydrophobicContact CD2-CZ 3.94Å; L371-F458 HydrophobicContact CG-CE2 3.81Å; L371-F458 HydrophobicContact CG-CZ 3.94Å; L371-L470 HydrophobicContact CD2-CD2 4.31Å; L371-L473 HydrophobicContact CD1-CB 4.19Å; L371-L473 HydrophobicContact CD2-CB 3.74Å; L371-L473 HydrophobicContact CD2-CD1 4.33Å; L371-Y477 HydrophobicContact CD1-CD2 3.91Å; L371-Y477 HydrophobicContact CD1-CE2 4.37Å |
| 372 | M | 90.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.7 | 157.1 | -84.7 | -72.5 | 0 | 0 | 111.1 | L349 I368 T369 A370 I374 F375 C376 A451 M455 F458 | L349-M372 HydrophobicContact CD2-CE 4.31Å; I368-M372 WeakPolarHBondContact O-CB 3.47Å; I368-M372 PolarHBondContact O-N 3.44Å; T369-M372 HydrophobicContact CG2-CE 3.67Å; T369-M372 WeakPolarHBondContact O-CB 3.41Å; T369-M372 WeakPolarHBondContact O-CE 3.42Å; T369-M372 PolarHBondContact O-N 3.49Å; A370-M372 VanDerWaalsContact C-N 3.27Å; A370-M372 PolarHBondContact O-N 2.9Å; M372-I374 PolarHBondContact O-N 3.48Å; M372-F375 PolarHBondContact O-N 3.14Å; M372-C376 PolarHBondContact O-N 3.4Å; M372-C376 PolarHBondContact O-SG 3.45Å; M372-A451 HydrophobicContact CE-CB 4.48Å; M372-A451 HydrophobicContact CG-CB 4.17Å; M372-A451 WeakPolarHBondContact CG-O 3.49Å; M372-A451 HydrophobicContact SD-CB 3.35Å; M372-A451 WeakPolarHBondContact SD-CB 2.82Å; M372-M455 HydrophobicContact CB-SD 4.45Å; M372-M455 HydrophobicContact CG-CB 4.13Å; M372-F458 HydrophobicContact CB-CD2 4.14Å; M372-F458 HydrophobicContact CB-CE2 4.02Å |
| 373 | V | 84.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | A370 L371 F375 C376 F377 V390 L420 | A370-V373 PolarHBondContact O-N 3.31Å; L371-V373 VanDerWaalsContact C-N 3.28Å; L371-V373 PolarHBondContact O-N 3.18Å; V373-F375 VanDerWaalsContact C-N 3.31Å; V373-F375 PolarHBondContact O-N 2.99Å; V373-C376 PolarHBondContact O-N 3.29Å; V373-F377 HydrophobicContact CG1-CD2 4.45Å; V373-F377 HydrophobicContact CG1-CE2 4.36Å; V373-F377 WeakPolarHBondContact O-CD2 3.22Å; V373-V390 HydrophobicContact CB-CG2 4Å; V373-V390 HydrophobicContact CG1-CG1 4.01Å; V373-V390 HydrophobicContact CG1-CG2 4.02Å; V373-V390 HydrophobicContact CG2-CG2 4.27Å; V373-L420 HydrophobicContact CG1-CD1 3.98Å; V373-L420 HydrophobicContact CG1-CD2 4.04Å |
| 374 | I | 87 | Confident | 85.6 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.4 | -56.2 | -63.5 | 0 | 0 | 0 | 111.6 | L371 M372 C376 F377 K378 L382 L384 V390 Y477 | L371-I374 PolarHBondContact O-N 3.17Å; M372-I374 PolarHBondContact O-N 3.48Å; I374-C376 VanDerWaalsContact C-N 3.33Å; I374-C376 PolarHBondContact O-N 3.28Å; I374-F377 CarbonylContact O-C 3.47Å; I374-F377 PolarHBondContact O-N 3.41Å; I374-K378 PolarHBondContact O-N 3.22Å; I374-L382 HydrophobicContact CD1-CB 3.38Å; I374-L382 HydrophobicContact CD1-CD1 4.35Å; I374-L382 HydrophobicContact CD1-CG 4.49Å; I374-L384 HydrophobicContact CD1-CD2 3.89Å; I374-L384 HydrophobicContact CD1-CG 4.18Å; I374-L384 HydrophobicContact CG1-CD1 4.18Å; I374-L384 HydrophobicContact CG1-CD2 3.54Å; I374-L384 HydrophobicContact CG1-CG 3.77Å; I374-V390 HydrophobicContact CD1-CG1 3.9Å; I374-Y477 HydrophobicContact CG2-CD1 3.71Å; I374-Y477 HydrophobicContact CG2-CD2 3.88Å; I374-Y477 HydrophobicContact CG2-CE1 3.88Å; I374-Y477 HydrophobicContact CG2-CE2 4.06Å; I374-Y477 HydrophobicContact CG2-CG 3.72Å |
| 375 | F | 84.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 26.2 Ų | 26.2 | 18% | 0.184 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.2 | -33.8 | -174 | -160.5 | -88.7 | 0 | 0 | 0 | 112.5 | L371 M372 V373 F377 K378 F458 | L371-F375 WeakPolarHBondContact O-CB 2.98Å; L371-F375 PolarHBondContact O-N 3.19Å; M372-F375 PolarHBondContact O-N 3.14Å; V373-F375 VanDerWaalsContact C-N 3.31Å; V373-F375 PolarHBondContact O-N 2.99Å; F375-F377 PolarHBondContact O-N 2.83Å; F375-K378 HydrophobicContact CD2-CD 4.41Å; F375-K378 HydrophobicContact CE2-CD 4.29Å; F375-K378 HydrophobicContact CZ-CD 4.39Å; F375-K378 PolarHBondContact O-N 2.88Å; F375-F458 HydrophobicContact CB-CE2 4.38Å; F375-F458 HydrophobicContact CB-CZ 3.9Å; F375-F458 HydrophobicContact CD2-CE1 4.38Å; F375-F458 AromaticContact CD2-CZ 3.89Å; F375-F458 HydrophobicContact CD2-CZ 3.89Å; F375-F458 AromaticContact CG-CZ 3.89Å; F375-F458 HydrophobicContact CG-CZ 3.89Å |
| 376 | C | 81 | Confident | 85.7 | Confident | 24 Ų | 24 | 26.4 Ų | 26.4 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -30 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | M372 V373 I374 L450 A451 | M372-C376 PolarHBondContact O-N 3.4Å; M372-C376 PolarHBondContact O-SG 3.45Å; V373-C376 PolarHBondContact O-N 3.29Å; I374-C376 VanDerWaalsContact C-N 3.33Å; I374-C376 PolarHBondContact O-N 3.28Å; C376-L450 HydrophobicContact CB-CB 4.47Å; C376-L450 PolarHBondContact SG-O 3.15Å; C376-L450 VanDerWaalsContact SG-O 3.37Å; C376-A451 WeakPolarHBondContact SG-CA 3.22Å; C376-A451 PolarHBondContact SG-N 3.25Å |
| 377 | F | 79.5 | Confident | 85.4 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 38.5 | -175.5 | -51.9 | -65.8 | 0 | 0 | 0 | 111.3 | V373 I374 F375 G379 T380 L382 L420 L431 L442 V447 | V373-F377 HydrophobicContact CG1-CD2 4.45Å; V373-F377 HydrophobicContact CG1-CE2 4.36Å; V373-F377 WeakPolarHBondContact O-CD2 3.22Å; I374-F377 CarbonylContact O-C 3.47Å; I374-F377 PolarHBondContact O-N 3.41Å; F375-F377 PolarHBondContact O-N 2.83Å; F377-G379 PolarHBondContact O-N 2.94Å; F377-T380 HydrophobicContact CB-CG2 3.88Å; F377-T380 VanDerWaalsContact CB-OG1 3.26Å; F377-T380 WeakPolarHBondContact CB-OG1 3.26Å; F377-T380 WeakPolarHBondContact O-CB 3.3Å; F377-T380 PolarHBondContact O-N 2.81Å; F377-T380 PolarHBondContact O-OG1 3Å; F377-L382 HydrophobicContact CB-CD1 4.02Å; F377-L382 HydrophobicContact CD2-CD1 4.06Å; F377-L382 HydrophobicContact CG-CD1 4.43Å; F377-L420 HydrophobicContact CE2-CD2 3.7Å; F377-L420 HydrophobicContact CZ-CD2 4.17Å; F377-L431 HydrophobicContact CD1-CD2 3.81Å; F377-L431 HydrophobicContact CD2-CD2 3.59Å; F377-L431 HydrophobicContact CE1-CD2 3.53Å; F377-L431 HydrophobicContact CE2-CD2 3.31Å; F377-L431 HydrophobicContact CG-CD2 3.83Å; F377-L431 HydrophobicContact CZ-CD2 3.24Å; F377-L442 HydrophobicContact CD1-CD1 3.88Å; F377-L442 HydrophobicContact CE1-CD1 3.45Å; F377-L442 VanDerWaalsContact CE1-CD1 3.45Å; F377-L442 HydrophobicContact CE1-CD2 4.06Å; F377-L442 HydrophobicContact CE1-CG 4.34Å; F377-L442 HydrophobicContact CZ-CD1 4.22Å; F377-V447 HydrophobicContact CE1-CG2 3.83Å; F377-V447 HydrophobicContact CE2-CG1 4.18Å; F377-V447 HydrophobicContact CZ-CB 4.07Å; F377-V447 HydrophobicContact CZ-CG1 3.51Å; F377-V447 HydrophobicContact CZ-CG2 3.57Å |
| 378 | K | 72.4 | Confident | 85.1 | Confident | 128 Ų | 128 | 25.1 Ų | 25.1 | 56% | 0.557 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 125.1 | 172.8 | -95.1 | -179.4 | 169.7 | -179.6 | 0 | 110.8 | I374 F375 | I374-K378 PolarHBondContact O-N 3.22Å; F375-K378 HydrophobicContact CD2-CD 4.41Å; F375-K378 HydrophobicContact CE2-CD 4.29Å; F375-K378 HydrophobicContact CZ-CD 4.39Å; F375-K378 PolarHBondContact O-N 2.88Å |
| 379 | G | 75.6 | Confident | 85 | Confident | 81 Ų | 81 | 25.9 Ų | 25.9 | 84% | 0.835 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -15.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | F377 | F377-G379 PolarHBondContact O-N 2.94Š|
| 380 | T | 80.4 | Confident | 84.9 | Confident | 23 Ų | 23 | 25.9 Ų | 25.9 | 14% | 0.141 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -78.7 | 152 | 167.8 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | F377 L382 I435 | F377-T380 HydrophobicContact CB-CG2 3.88Å; F377-T380 VanDerWaalsContact CB-OG1 3.26Å; F377-T380 WeakPolarHBondContact CB-OG1 3.26Å; F377-T380 WeakPolarHBondContact O-CB 3.3Å; F377-T380 PolarHBondContact O-N 2.81Å; F377-T380 PolarHBondContact O-OG1 3Å; T380-L382 PolarHBondContact O-N 2.9Å; T380-L382 WeakPolarHBondContact OG1-CD1 3.27Å; T380-L382 WeakPolarHBondContact OG1-CG 3.46Å; T380-I435 HydrophobicContact CG2-CG2 4.38Å |
| 381 | P | 85.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 26.3 Ų | 26.3 | 34% | 0.344 | 15% | 0.149 | S | C | . | . | trans | -78.4 | 44.7 | -177.9 | 34.1 | -37.4 | 0 | 0 | 0 | 112.2 | T392 S393 | P381-T392 CarbonylContact O-C 3.54Å; P381-S393 WeakPolarHBondContact CB-OG 3.45Å; P381-S393 WeakPolarHBondContact O-CB 3.44Å; P381-S393 PolarHBondContact O-N 2.94Å; P381-S393 PolarHBondContact O-OG 2.84Å | ||
| 382 | L | 90.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 151.9 | 178.3 | -63.9 | 177.9 | 0 | 0 | 0 | 112.3 | I374 F377 T380 V390 Y391 T392 I398 L431 I434 | I374-L382 HydrophobicContact CD1-CB 3.38Å; I374-L382 HydrophobicContact CD1-CD1 4.35Å; I374-L382 HydrophobicContact CD1-CG 4.49Å; F377-L382 HydrophobicContact CB-CD1 4.02Å; F377-L382 HydrophobicContact CD2-CD1 4.06Å; F377-L382 HydrophobicContact CG-CD1 4.43Å; T380-L382 PolarHBondContact O-N 2.9Å; T380-L382 WeakPolarHBondContact OG1-CD1 3.27Å; T380-L382 WeakPolarHBondContact OG1-CG 3.46Å; L382-V390 HydrophobicContact CD1-CG1 4.46Å; L382-V390 HydrophobicContact CD2-CG1 4.41Å; L382-Y391 CarbonylContact C-O 3.58Å; L382-Y391 VanDerWaalsContact CA-O 3.31Å; L382-Y391 WeakPolarHBondContact CA-O 3.27Å; L382-T392 HydrophobicContact CD2-CG2 4.24Å; L382-I398 HydrophobicContact CD2-CD1 4.43Å; L382-I398 HydrophobicContact CD2-CG2 3.95Å; L382-L431 HydrophobicContact CD1-CD1 4.03Å; L382-L431 HydrophobicContact CD2-CD1 4.29Å; L382-L431 HydrophobicContact CG-CD1 4.46Å; L382-I434 HydrophobicContact CD2-CD1 3.77Å |
| 383 | R | 92.4 | Very high | 84.3 | Confident | 85 Ų | 85 | 28.2 Ų | 28.2 | 32% | 0.321 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.2 | -178.5 | -63.7 | -68.1 | -175.5 | -83.1 | -4.3 | 110.5 | Y391 Y477 L479 | R383-Y391 PolarHBondContact N-O 3.44Å; R383-Y391 PolarHBondContact O-N 3.48Å; R383-Y477 CarbonylContact C-O 3.46Å; R383-Y477 WeakPolarHBondContact CA-O 3.32Å; R383-Y477 WeakPolarHBondContact CB-O 3.41Å; R383-Y477 VanDerWaalsContact CD-O 3.25Å; R383-Y477 WeakPolarHBondContact CD-O 3.41Å; R383-L479 HydrophobicContact CB-CD1 4.26Å; R383-L479 HydrophobicContact CB-CD2 3.4Å; R383-L479 HydrophobicContact CB-CG 3.66Å; R383-L479 HydrophobicContact CG-CD2 3.6Å; R383-L479 HydrophobicContact CG-CG 4.39Å |
| 384 | L | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.6 | 178.9 | -63.4 | 174.9 | 0 | 0 | 0 | 110.3 | A370 L371 I374 V390 Y474 Y477 W478 L479 | A370-L384 HydrophobicContact CB-CD2 3.81Å; L371-L384 HydrophobicContact CD1-CD1 4.38Å; I374-L384 HydrophobicContact CD1-CD2 3.89Å; I374-L384 HydrophobicContact CD1-CG 4.18Å; I374-L384 HydrophobicContact CG1-CD1 4.18Å; I374-L384 HydrophobicContact CG1-CD2 3.54Å; I374-L384 HydrophobicContact CG1-CG 3.77Å; L384-V390 HydrophobicContact CD2-CG2 4.24Å; L384-Y474 HydrophobicContact CB-CE2 4.43Å; L384-Y474 HydrophobicContact CD1-CD2 3.53Å; L384-Y474 HydrophobicContact CD1-CE2 3.64Å; L384-Y474 HydrophobicContact CD1-CG 4.19Å; L384-Y477 PolarHBondContact N-O 3.47Å; L384-W478 HydrophobicContact CB-CB 4.5Å; L384-W478 CarbonylContact O-C 3.48Å; L384-W478 VanDerWaalsContact O-CA 3.24Å; L384-W478 WeakPolarHBondContact O-CA 3.38Å; L384-L479 PolarHBondContact O-N 2.88Å |
| 385 | K | 87.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.4 | 165.6 | -167.1 | -176.2 | 175.5 | 179.5 | 0 | 108 | P387 N388 D389 Y391 L479 H480 D526 | K385-P387 CarbonylContact O-C 3.56Å; K385-N388 PolarHBondContact O-N 2.88Å; K385-D389 HydrophobicContact CB-CB 4.26Å; K385-D389 PolarHBondContact N-O 3.23Å; K385-D389 PolarHBondContact O-N 3.27Å; K385-Y391 HydrophobicContact CB-CD2 3.33Å; K385-Y391 HydrophobicContact CB-CE2 3.32Å; K385-Y391 HydrophobicContact CB-CG 4.21Å; K385-Y391 HydrophobicContact CD-CD2 4.31Å; K385-Y391 HydrophobicContact CD-CE1 4.35Å; K385-Y391 HydrophobicContact CD-CE2 3.5Å; K385-Y391 WeakPolarHBondContact CD-OH 3.18Å; K385-Y391 HydrophobicContact CG-CD2 4.38Å; K385-Y391 HydrophobicContact CG-CE2 3.98Å; K385-L479 HydrophobicContact CB-CD1 4.17Å; K385-H480 WeakPolarHBondContact CA-NE2 3.47Å; K385-D526 IonicContact NZ-OD1 3.38Å; K385-D526 PolarHBondContact NZ-OD1 3.04Å |
| 386 | W | 84 | Confident | 83.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 140.2 | 172.8 | 179.4 | 92.7 | 0 | 0 | 0 | 110.2 | H480 G503 L505 P520 M531 | W386-H480 PolarHBondContact N-CD2 3.49Å; W386-H480 PolarHBondContact N-NE2 3Å; W386-G503 PolarHBondContact NE1-O 2.77Å; W386-L505 HydrophobicContact CD2-CD1 4.39Å; W386-L505 HydrophobicContact CG-CD1 4.21Å; W386-L505 HydrophobicContact CH2-CB 4.47Å; W386-L505 HydrophobicContact CZ2-CB 4.22Å; W386-P520 HydrophobicContact CH2-CB 3.82Å; W386-P520 HydrophobicContact CH2-CG 3.84Å; W386-P520 HydrophobicContact CZ2-CG 4.24Å; W386-P520 HydrophobicContact CZ3-CB 4.16Å; W386-M531 HydrophobicContact CZ3-SD 4.32Å |
| 387 | P | 78.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76.5 | -43.7 | 1.8 | 29.6 | -31.7 | 0 | 0 | 0 | 113.2 | K385 Y474 M527 | K385-P387 CarbonylContact O-C 3.56Å; P387-Y474 PolarHBondContact O-OH 3.13Å; P387-M527 VanDerWaalsContact CD-CE 3.48Å; P387-M527 WeakPolarHBondContact CD-SD 3.36Å; P387-M527 HydrophobicContact CG-CE 4.42Å; P387-M527 HydrophobicContact CG-SD 3.98Å |
| 388 | N | 82.3 | Confident | 84.1 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 16.6 | -161.2 | -46.3 | -44.9 | 0 | 0 | 0 | 115.2 | Q366 K385 V401 | Q366-N388 HydrophobicContact CB-CB 4.46Å; Q366-N388 VanDerWaalsContact CB-CG 3.41Å; Q366-N388 WeakPolarHBondContact CB-OD1 2.84Å; Q366-N388 PolarHBondContact OE1-ND2 3.04Å; Q366-N388 PolarHBondContact OE1-OD1 3.4Å; K385-N388 PolarHBondContact O-N 2.88Å; N388-V401 HydrophobicContact CB-CB 4.09Å; N388-V401 PolarHBondContact O-N 3.03Å |
| 389 | D | 86.3 | Confident | 84.6 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 146.7 | -177.1 | -76.7 | -25.9 | 0 | 0 | 0 | 111.6 | K385 Y391 K397 | K385-D389 HydrophobicContact CB-CB 4.26Å; K385-D389 PolarHBondContact N-O 3.23Å; K385-D389 PolarHBondContact O-N 3.27Å; D389-Y391 HydrophobicContact CB-CD2 3.88Å; D389-Y391 HydrophobicContact CB-CE2 3.46Å; D389-Y391 VanDerWaalsContact CB-CE2 3.46Å; D389-K397 VanDerWaalsContact CG-CE 3.44Å; D389-K397 VanDerWaalsContact OD1-CE 3.29Å; D389-K397 WeakPolarHBondContact OD1-CE 3.49Å; D389-K397 IonicContact OD1-NZ 3.3Å; D389-K397 PolarHBondContact OD1-NZ 2.99Å; D389-K397 WeakPolarHBondContact OD2-CE 3.06Å; D389-K397 IonicContact OD2-NZ 3.26Å; D389-K397 PolarHBondContact OD2-NZ 3.34Å |
| 390 | V | 88.5 | Confident | 85 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.1 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 109 | V373 I374 L382 L384 I398 G399 | V373-V390 HydrophobicContact CB-CG2 4Å; V373-V390 HydrophobicContact CG1-CG1 4.01Å; V373-V390 HydrophobicContact CG1-CG2 4.02Å; V373-V390 HydrophobicContact CG2-CG2 4.27Å; I374-V390 HydrophobicContact CD1-CG1 3.9Å; L382-V390 HydrophobicContact CD1-CG1 4.46Å; L382-V390 HydrophobicContact CD2-CG1 4.41Å; L384-V390 HydrophobicContact CD2-CG2 4.24Å; V390-I398 HydrophobicContact CB-CG2 4.08Å; V390-I398 HydrophobicContact CG1-CG2 3.7Å; V390-I398 PolarHBondContact O-N 2.87Å; V390-G399 PolarHBondContact N-O 2.86Å; V390-G399 PolarHBondContact O-N 2.8Å |
| 391 | Y | 89.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159 | -172.6 | -84.7 | -101.4 | 0 | 0 | 0 | 111 | M12 L382 R383 K385 D389 K395 V396 K397 L479 | M12-Y391 HydrophobicContact CE-CE1 4.32Å; L382-Y391 CarbonylContact C-O 3.58Å; L382-Y391 VanDerWaalsContact CA-O 3.31Å; L382-Y391 WeakPolarHBondContact CA-O 3.27Å; R383-Y391 PolarHBondContact N-O 3.44Å; R383-Y391 PolarHBondContact O-N 3.48Å; K385-Y391 HydrophobicContact CB-CD2 3.33Å; K385-Y391 HydrophobicContact CB-CE2 3.32Å; K385-Y391 HydrophobicContact CB-CG 4.21Å; K385-Y391 HydrophobicContact CD-CD2 4.31Å; K385-Y391 HydrophobicContact CD-CE1 4.35Å; K385-Y391 HydrophobicContact CD-CE2 3.5Å; K385-Y391 WeakPolarHBondContact CD-OH 3.18Å; K385-Y391 HydrophobicContact CG-CD2 4.38Å; K385-Y391 HydrophobicContact CG-CE2 3.98Å; D389-Y391 HydrophobicContact CB-CD2 3.88Å; D389-Y391 HydrophobicContact CB-CE2 3.46Å; D389-Y391 VanDerWaalsContact CB-CE2 3.46Å; Y391-K395 VanDerWaalsContact CD1-C 3.44Å; Y391-K395 WeakPolarHBondContact CD1-O 3.4Å; Y391-K395 VanDerWaalsContact CE1-O 3.24Å; Y391-K395 WeakPolarHBondContact CE1-O 3.41Å; Y391-V396 CarbonylContact C-O 3.39Å; Y391-V396 WeakPolarHBondContact CA-O 3.36Å; Y391-V396 WeakPolarHBondContact CD1-O 3.2Å; Y391-K397 HydrophobicContact CD1-CB 4.23Å; Y391-K397 HydrophobicContact CE1-CB 3.75Å; Y391-K397 HydrophobicContact CE2-CB 4.11Å; Y391-K397 HydrophobicContact CE2-CD 4.36Å; Y391-K397 HydrophobicContact CE2-CG 4.07Å; Y391-L479 HydrophobicContact CD1-CD1 4.41Å; Y391-L479 HydrophobicContact CG-CD1 4.04Å |
| 392 | T | 86.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 168.7 | 163 | 65.1 | 0 | 0 | 0 | 0 | 111 | P381 L382 D394 K395 V396 I398 I429 I434 | P381-T392 CarbonylContact O-C 3.54Å; L382-T392 HydrophobicContact CD2-CG2 4.24Å; T392-D394 PolarHBondContact O-N 3.35Å; T392-K395 WeakPolarHBondContact O-CA 3.31Å; T392-K395 PolarHBondContact O-N 3.05Å; T392-V396 PolarHBondContact N-O 3.1Å; T392-V396 PolarHBondContact OG1-N 2.97Å; T392-I398 HydrophobicContact CG2-CD1 4.22Å; T392-I429 HydrophobicContact CG2-CD1 3.4Å; T392-I429 HydrophobicContact CG2-CG1 4.31Å; T392-I434 HydrophobicContact CG2-CD1 3.61Å |
| 393 | S | 82.1 | Confident | 84.7 | Confident | 42 Ų | 42 | 33.1 Ų | 33.1 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.7 | 177.5 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | P381 K395 | P381-S393 WeakPolarHBondContact CB-OG 3.45Å; P381-S393 WeakPolarHBondContact O-CB 3.44Å; P381-S393 PolarHBondContact O-N 2.94Å; P381-S393 PolarHBondContact O-OG 2.84Å; S393-K395 PolarHBondContact O-N 2.75Å; S393-K395 VanDerWaalsContact O-N 3.15Å |
| 394 | D | 81.9 | Confident | 84.2 | Confident | 136 Ų | 136 | 34.2 Ų | 34.2 | 73% | 0.727 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 15.9 | 172.6 | -50.8 | -44.2 | 0 | 0 | 0 | 112.6 | T392 V396 | T392-D394 PolarHBondContact O-N 3.35Å; D394-V396 VanDerWaalsContact C-N 3.28Å; D394-V396 PolarHBondContact O-N 3.34Å |
| 395 | K | 82.1 | Confident | 83.6 | Confident | 134 Ų | 134 | 36.5 Ų | 36.5 | 58% | 0.583 | 20% | 0.196 | S | C | * | . | trans | 60.8 | 27.5 | 176.8 | -55.9 | -179.3 | -179.6 | 177.8 | 0 | 114.4 | M12 Y391 T392 S393 | M12-K395 WeakPolarHBondContact CE-O 3.31Å; Y391-K395 VanDerWaalsContact CD1-C 3.44Å; Y391-K395 WeakPolarHBondContact CD1-O 3.4Å; Y391-K395 VanDerWaalsContact CE1-O 3.24Å; Y391-K395 WeakPolarHBondContact CE1-O 3.41Å; T392-K395 WeakPolarHBondContact O-CA 3.31Å; T392-K395 PolarHBondContact O-N 3.05Å; S393-K395 PolarHBondContact O-N 2.75Å; S393-K395 VanDerWaalsContact O-N 3.15Å | ||
| 396 | V | 81.4 | Confident | 83.1 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | trans | -90.7 | 134.3 | 172.5 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | M12 Y391 T392 D394 T428 I429 | M12-V396 HydrophobicContact CG-CB 4.36Å; M12-V396 HydrophobicContact CG-CG1 4.22Å; M12-V396 HydrophobicContact CG-CG2 4.08Å; Y391-V396 CarbonylContact C-O 3.39Å; Y391-V396 WeakPolarHBondContact CA-O 3.36Å; Y391-V396 WeakPolarHBondContact CD1-O 3.2Å; T392-V396 PolarHBondContact N-O 3.1Å; T392-V396 PolarHBondContact OG1-N 2.97Å; D394-V396 VanDerWaalsContact C-N 3.28Å; D394-V396 PolarHBondContact O-N 3.34Å; V396-T428 WeakPolarHBondContact CG1-OG1 3.46Å; V396-I429 HydrophobicContact CB-CD1 3.63Å; V396-I429 HydrophobicContact CB-CG1 4.15Å; V396-I429 HydrophobicContact CG1-CD1 3.79Å; V396-I429 HydrophobicContact CG1-CG1 3.72Å; V396-I429 HydrophobicContact CG2-CD1 4.07Å | ||
| 397 | K | 83.4 | Confident | 82.7 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 130.3 | 179 | -173.3 | 171.8 | 177.7 | 163.2 | 0 | 109.9 | D389 Y391 G399 T428 | D389-K397 VanDerWaalsContact CG-CE 3.44Å; D389-K397 VanDerWaalsContact OD1-CE 3.29Å; D389-K397 WeakPolarHBondContact OD1-CE 3.49Å; D389-K397 IonicContact OD1-NZ 3.3Å; D389-K397 PolarHBondContact OD1-NZ 2.99Å; D389-K397 WeakPolarHBondContact OD2-CE 3.06Å; D389-K397 IonicContact OD2-NZ 3.26Å; D389-K397 PolarHBondContact OD2-NZ 3.34Å; Y391-K397 HydrophobicContact CD1-CB 4.23Å; Y391-K397 HydrophobicContact CE1-CB 3.75Å; Y391-K397 HydrophobicContact CE2-CB 4.11Å; Y391-K397 HydrophobicContact CE2-CD 4.36Å; Y391-K397 HydrophobicContact CE2-CG 4.07Å; K397-G399 VanDerWaalsContact CE-O 3.3Å; K397-G399 WeakPolarHBondContact CE-O 3.39Å; K397-T428 PolarHBondContact O-OG1 2.89Å |
| 398 | I | 83.9 | Confident | 82.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -20.1 | 179.7 | -158.4 | 160.5 | 0 | 0 | 0 | 112.8 | L382 V390 T392 L420 N421 L431 I434 | L382-I398 HydrophobicContact CD2-CD1 4.43Å; L382-I398 HydrophobicContact CD2-CG2 3.95Å; V390-I398 HydrophobicContact CB-CG2 4.08Å; V390-I398 HydrophobicContact CG1-CG2 3.7Å; V390-I398 PolarHBondContact O-N 2.87Å; T392-I398 HydrophobicContact CG2-CD1 4.22Å; I398-L420 HydrophobicContact CG1-CD1 4.39Å; I398-L420 HydrophobicContact CG2-CD1 4.02Å; I398-N421 HydrophobicContact CG1-CB 4.22Å; I398-N421 WeakPolarHBondContact O-CB 3.32Å; I398-N421 PolarHBondContact O-N 3.31Å; I398-L431 HydrophobicContact CD1-CB 4Å; I398-L431 HydrophobicContact CD1-CD1 4.15Å; I398-I434 HydrophobicContact CD1-CD1 3.93Å |
| 399 | G | 83.2 | Confident | 81.8 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V390 K397 G419 | V390-G399 PolarHBondContact N-O 2.86Å; V390-G399 PolarHBondContact O-N 2.8Å; K397-G399 VanDerWaalsContact CE-O 3.3Å; K397-G399 WeakPolarHBondContact CE-O 3.39Å; G399-G419 CarbonylContact C-O 3.54Å; G399-G419 WeakPolarHBondContact CA-O 3.13Å |
| 400 | G | 83.6 | Confident | 81.2 | Confident | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G419 | G400-G419 PolarHBondContact N-O 3.02Å; G400-G419 PolarHBondContact O-N 3.41Å |
| 401 | V | 84.7 | Confident | 80.5 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.6 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | T369 A370 N388 V403 V416 G417 C418 | T369-V401 HydrophobicContact CG2-CB 4.29Å; T369-V401 HydrophobicContact CG2-CG1 3.39Å; T369-V401 HydrophobicContact CG2-CG2 3.86Å; A370-V401 HydrophobicContact CB-CG2 4.36Å; N388-V401 HydrophobicContact CB-CB 4.09Å; N388-V401 PolarHBondContact O-N 3.03Å; V401-V403 HydrophobicContact CG1-CG2 3.89Å; V401-V416 HydrophobicContact CG1-CG1 4.42Å; V401-G417 CarbonylContact C-O 3.58Å; V401-G417 WeakPolarHBondContact CA-O 3.4Å; V401-C418 HydrophobicContact CG2-CB 4.34Å |
| 402 | L | 82.8 | Confident | 79.8 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.4 | 168.2 | -177.2 | 64.2 | 0 | 0 | 0 | 108.5 | M322 V416 G417 | M322-L402 HydrophobicContact CE-CD2 3.81Å; M322-L402 HydrophobicContact CE-CG 4.35Å; M322-L402 HydrophobicContact SD-CD2 4.48Å; L402-V416 CarbonylContact O-C 3.59Å; L402-V416 WeakPolarHBondContact O-CA 3.19Å; L402-G417 PolarHBondContact N-O 3.1Å; L402-G417 PolarHBondContact O-N 3.45Å |
| 403 | V | 83.2 | Confident | 79.4 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.9 | 171.1 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | F365 Q366 V401 F414 V415 V416 | F365-V403 HydrophobicContact CD1-CG1 3.79Å; F365-V403 HydrophobicContact CD1-CG2 4.32Å; Q366-V403 HydrophobicContact CB-CG2 4.1Å; Q366-V403 HydrophobicContact CG-CB 3.51Å; Q366-V403 HydrophobicContact CG-CG1 4.33Å; Q366-V403 HydrophobicContact CG-CG2 3.54Å; V401-V403 HydrophobicContact CG1-CG2 3.89Å; V403-F414 HydrophobicContact CG1-CB 4.31Å; V403-F414 HydrophobicContact CG1-CD1 3.85Å; V403-V415 WeakPolarHBondContact CA-O 3.25Å; V403-V416 HydrophobicContact CG2-CG2 4.22Å |
| 404 | Q | 81.2 | Confident | 79.5 | Confident | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.3 | 166 | -69.3 | -177.2 | -2.2 | 0 | 0 | 109.1 | M322 F414 V415 | M322-Q404 HydrophobicContact CE-CB 4.2Å; M322-Q404 HydrophobicContact CE-CG 3.55Å; M322-Q404 VanDerWaalsContact CE-NE2 3.28Å; Q404-F414 CarbonylContact O-C 3.52Å; Q404-F414 WeakPolarHBondContact O-CA 3.45Å; Q404-V415 HydrophobicContact CB-CB 4.5Å; Q404-V415 PolarHBondContact N-O 3.06Å; Q404-V415 PolarHBondContact O-N 3.3Å |
| 405 | S | 79.4 | Confident | 79.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.5 | -179.6 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | S362 N413 | S362-S405 PolarHBondContact OG-OG 3.06Å; S405-N413 CarbonylContact C-O 3.52Å; S405-N413 VanDerWaalsContact CA-O 3.27Å; S405-N413 WeakPolarHBondContact CA-O 3.42Å |
| 406 | T | 76.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.3 | 167.3 | 55 | 0 | 0 | 0 | 0 | 108.8 | C412 N413 | T406-C412 WeakPolarHBondContact O-CA 3.43Å; T406-N413 PolarHBondContact N-O 3.32Å; T406-N413 PolarHBondContact O-N 3.15Å; T406-N413 WeakPolarHBondContact OG1-CB 3.22Å |
| 407 | V | 74.8 | Confident | 79.6 | Confident | 117 Ų | 117 | 46 Ų | 46 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.1 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 408 | S | 71.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | trans | -108.1 | 177 | 167.6 | 74 | 0 | 0 | 0 | 0 | 110.1 | I410 S411 | S408-I410 PolarHBondContact O-N 2.84Å; S408-S411 PolarHBondContact N-O 2.8Å; S408-S411 PolarHBondContact OG-N 3.33Å; S408-S411 VanDerWaalsContact OG-N 3.14Å; S408-S411 PolarHBondContact OG-O 3.19Å; S408-S411 PolarHBondContact OG-OG 3.04Å | ||
| 409 | S | 70.9 | Confident | 79.6 | Confident | 126 Ų | 126 | 44.4 Ų | 44.4 | 88% | 0.881 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -60.8 | -27.3 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 410 | I | 73.3 | Confident | 79.6 | Confident | 154 Ų | 154 | 44.4 Ų | 44.4 | 79% | 0.79 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -116.2 | -18 | -173.5 | 58.9 | 169.6 | 0 | 0 | 0 | 114.2 | S408 | S408-I410 PolarHBondContact O-N 2.84Š|
| 411 | S | 73.1 | Confident | 79.5 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -154.3 | 154.3 | -173.7 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | S408 | S408-S411 PolarHBondContact N-O 2.8Å; S408-S411 PolarHBondContact OG-N 3.33Å; S408-S411 VanDerWaalsContact OG-N 3.14Å; S408-S411 PolarHBondContact OG-O 3.19Å; S408-S411 PolarHBondContact OG-OG 3.04Å | ||
| 412 | C | 75.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.1 | 166.6 | -165.8 | 0 | 0 | 0 | 0 | 109.7 | G355 A356 T406 F414 | G355-C412 PolarHBondContact N-O 3.29Å; A356-C412 WeakPolarHBondContact CB-O 3.25Å; A356-C412 PolarHBondContact N-O 3.42Å; A356-C412 PolarHBondContact O-N 3.28Å; T406-C412 WeakPolarHBondContact O-CA 3.43Å; C412-F414 HydrophobicContact CB-CE2 3.83Å; C412-F414 HydrophobicContact CB-CZ 3.91Å; C412-F414 VanDerWaalsContact SG-CE1 3.53Å; C412-F414 WeakPolarHBondContact SG-CZ 3.4Å |
| 413 | N | 79.4 | Confident | 79.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.5 | 170 | -48.2 | -61.8 | 0 | 0 | 0 | 108.9 | L353 L354 G355 S405 T406 | L353-N413 WeakPolarHBondContact O-CA 3.45Å; L354-N413 WeakPolarHBondContact CA-OD1 3.28Å; L354-N413 HydrophobicContact CD2-CB 3.97Å; G355-N413 PolarHBondContact N-OD1 3.41Å; S405-N413 CarbonylContact C-O 3.52Å; S405-N413 VanDerWaalsContact CA-O 3.27Å; S405-N413 WeakPolarHBondContact CA-O 3.42Å; T406-N413 PolarHBondContact N-O 3.32Å; T406-N413 PolarHBondContact O-N 3.15Å; T406-N413 WeakPolarHBondContact OG1-CB 3.22Å |
| 414 | F | 83.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.9 | 178.4 | -60.5 | -80.3 | 0 | 0 | 0 | 109.7 | S352 L353 A356 F360 F365 V403 Q404 C412 | S352-F414 CarbonylContact C-O 3.54Å; S352-F414 WeakPolarHBondContact CA-O 3.38Å; L353-F414 HydrophobicContact CB-CB 4.47Å; L353-F414 PolarHBondContact N-O 2.88Å; L353-F414 PolarHBondContact O-N 2.97Å; A356-F414 HydrophobicContact CB-CD2 4Å; A356-F414 HydrophobicContact CB-CE2 3.68Å; F360-F414 HydrophobicContact CB-CE2 3.84Å; F360-F414 HydrophobicContact CB-CZ 4Å; F360-F414 HydrophobicContact CD1-CE2 4.48Å; F360-F414 HydrophobicContact CG-CE2 4.36Å; F365-F414 HydrophobicContact CB-CD1 4.1Å; F365-F414 HydrophobicContact CB-CE1 4.03Å; F365-F414 HydrophobicContact CB-CG 4.48Å; F365-F414 HydrophobicContact CB-CZ 4.31Å; F365-F414 HydrophobicContact CD1-CB 3.6Å; F365-F414 AromaticContact CD1-CD1 3.84Å; F365-F414 HydrophobicContact CD1-CD1 3.84Å; F365-F414 HydrophobicContact CD1-CD2 4.19Å; F365-F414 AromaticContact CD1-CG 3.61Å; F365-F414 HydrophobicContact CD1-CG 3.61Å; F365-F414 HydrophobicContact CD2-CD2 4.24Å; F365-F414 HydrophobicContact CD2-CE2 4.42Å; F365-F414 HydrophobicContact CD2-CG 4.44Å; F365-F414 HydrophobicContact CE1-CB 3.36Å; F365-F414 HydrophobicContact CE1-CD1 4.45Å; F365-F414 HydrophobicContact CE1-CD2 4.23Å; F365-F414 AromaticContact CE1-CG 3.79Å; F365-F414 HydrophobicContact CE1-CG 3.79Å; F365-F414 HydrophobicContact CE2-CD2 4.33Å; F365-F414 HydrophobicContact CG-CB 4.39Å; F365-F414 HydrophobicContact CG-CD1 4.03Å; F365-F414 HydrophobicContact CG-CD2 4.16Å; F365-F414 HydrophobicContact CG-CE1 4.34Å; F365-F414 HydrophobicContact CG-CE2 4.43Å; F365-F414 AromaticContact CG-CG 3.93Å; F365-F414 HydrophobicContact CG-CG 3.93Å; F365-F414 HydrophobicContact CZ-CB 4.05Å; F365-F414 HydrophobicContact CZ-CD2 4.32Å; F365-F414 HydrophobicContact CZ-CG 4.32Å; V403-F414 HydrophobicContact CG1-CB 4.31Å; V403-F414 HydrophobicContact CG1-CD1 3.85Å; Q404-F414 CarbonylContact O-C 3.52Å; Q404-F414 WeakPolarHBondContact O-CA 3.45Å; C412-F414 HydrophobicContact CB-CE2 3.83Å; C412-F414 HydrophobicContact CB-CZ 3.91Å; C412-F414 VanDerWaalsContact SG-CE1 3.53Å; C412-F414 WeakPolarHBondContact SG-CZ 3.4Å |
| 415 | V | 82.1 | Confident | 78.3 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.7 | 166.2 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | M322 F325 V403 Q404 | M322-V415 HydrophobicContact CE-CG1 4.22Å; M322-V415 HydrophobicContact SD-CG1 4.06Å; F325-V415 HydrophobicContact CB-CG1 3.89Å; F325-V415 HydrophobicContact CB-CG2 3.96Å; F325-V415 HydrophobicContact CD2-CG1 3.94Å; F325-V415 HydrophobicContact CG-CG1 4.05Å; F325-V415 HydrophobicContact CG-CG2 4.5Å; V403-V415 WeakPolarHBondContact CA-O 3.25Å; Q404-V415 HydrophobicContact CB-CB 4.5Å; Q404-V415 PolarHBondContact N-O 3.06Å; Q404-V415 PolarHBondContact O-N 3.3Å |
| 416 | V | 83.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.1 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | F350 F351 F365 T369 V401 L402 V403 | F350-V416 CarbonylContact C-O 3.56Å; F350-V416 WeakPolarHBondContact CA-O 3.24Å; F351-V416 HydrophobicContact CD1-CB 4Å; F351-V416 HydrophobicContact CD1-CG1 4.3Å; F351-V416 HydrophobicContact CD2-CG2 4.49Å; F351-V416 HydrophobicContact CE1-CB 3.7Å; F351-V416 HydrophobicContact CE1-CG1 3.68Å; F351-V416 HydrophobicContact CE1-CG2 4.08Å; F351-V416 HydrophobicContact CE2-CB 4.32Å; F351-V416 HydrophobicContact CE2-CG2 3.93Å; F351-V416 HydrophobicContact CG-CB 4.43Å; F351-V416 HydrophobicContact CZ-CB 3.86Å; F351-V416 HydrophobicContact CZ-CG1 4.05Å; F351-V416 HydrophobicContact CZ-CG2 3.69Å; F351-V416 PolarHBondContact N-O 3.12Å; F351-V416 PolarHBondContact O-N 3.39Å; F365-V416 HydrophobicContact CD1-CG2 3.95Å; F365-V416 HydrophobicContact CE1-CG2 3.32Å; F365-V416 HydrophobicContact CZ-CG2 4.33Å; T369-V416 HydrophobicContact CG2-CG1 3.45Å; T369-V416 VanDerWaalsContact CG2-CG1 3.45Å; V401-V416 HydrophobicContact CG1-CG1 4.42Å; L402-V416 CarbonylContact O-C 3.59Å; L402-V416 WeakPolarHBondContact O-CA 3.19Å; V403-V416 HydrophobicContact CG2-CG2 4.22Å |
| 417 | G | 82.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V401 L402 | V401-G417 CarbonylContact C-O 3.58Å; V401-G417 WeakPolarHBondContact CA-O 3.4Å; L402-G417 PolarHBondContact N-O 3.1Å; L402-G417 PolarHBondContact O-N 3.45Å |
| 418 | C | 84.2 | Confident | 76.6 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 113.7 | 175.2 | 180 | 0 | 0 | 0 | 0 | 108.4 | L349 V401 | L349-C418 HydrophobicContact CB-CB 4.26Å; L349-C418 PolarHBondContact N-O 3.3Å; L349-C418 PolarHBondContact O-N 2.9Å; V401-C418 HydrophobicContact CG2-CB 4.34Å |
| 419 | G | 82.9 | Confident | 76.8 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G399 G400 | G399-G419 CarbonylContact C-O 3.54Å; G399-G419 WeakPolarHBondContact CA-O 3.13Å; G400-G419 PolarHBondContact N-O 3.02Å; G400-G419 PolarHBondContact O-N 3.41Å |
| 420 | L | 82.6 | Confident | 77.5 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.5 | 178.5 | -178.3 | 65.8 | 0 | 0 | 0 | 110.4 | I346 A347 V373 F377 I398 L422 L431 V447 | I346-L420 CarbonylContact C-O 3.55Å; I346-L420 WeakPolarHBondContact CG2-O 3.46Å; A347-L420 PolarHBondContact N-O 2.74Å; A347-L420 PolarHBondContact O-N 3.2Å; V373-L420 HydrophobicContact CG1-CD1 3.98Å; V373-L420 HydrophobicContact CG1-CD2 4.04Å; F377-L420 HydrophobicContact CE2-CD2 3.7Å; F377-L420 HydrophobicContact CZ-CD2 4.17Å; I398-L420 HydrophobicContact CG1-CD1 4.39Å; I398-L420 HydrophobicContact CG2-CD1 4.02Å; L420-L422 HydrophobicContact CD2-CD2 3.61Å; L420-L422 HydrophobicContact CG-CD2 3.91Å; L420-L422 PolarHBondContact O-N 3.44Å; L420-L422 VanDerWaalsContact O-N 3.14Å; L420-L431 HydrophobicContact CD2-CD2 4.03Å; L420-V447 HydrophobicContact CD2-CG1 4.15Å |
| 421 | N | 82.6 | Confident | 78.1 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 103.9 | 175.3 | -175.9 | 2.8 | 0 | 0 | 0 | 110.5 | I346 I398 N424 I429 L431 | I346-N421 HydrophobicContact CG1-CB 4.43Å; I398-N421 HydrophobicContact CG1-CB 4.22Å; I398-N421 WeakPolarHBondContact O-CB 3.32Å; I398-N421 PolarHBondContact O-N 3.31Å; N421-N424 PolarHBondContact ND2-O 3.37Å; N421-N424 WeakPolarHBondContact OD1-CA 3.34Å; N421-N424 WeakPolarHBondContact OD1-CB 3.3Å; N421-N424 PolarHBondContact OD1-N 3.2Å; N421-N424 PolarHBondContact OD1-O 3.34Å; N421-N424 VanDerWaalsContact OD1-O 3.09Å; N421-I429 PolarHBondContact ND2-O 3.49Å; N421-L431 WeakPolarHBondContact O-CB 3.48Å; N421-L431 PolarHBondContact O-N 2.84Å |
| 422 | L | 82.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -90.6 | -45.1 | -178 | -69.3 | -171.2 | 0 | 0 | 0 | 113.3 | G345 A347 L420 S430 L431 N432 A444 V447 | G345-L422 WeakPolarHBondContact O-CA 3.31Å; G345-L422 WeakPolarHBondContact O-CB 3.45Å; G345-L422 PolarHBondContact O-N 3Å; A347-L422 HydrophobicContact CB-CD1 3.38Å; A347-L422 HydrophobicContact CB-CG 3.72Å; L420-L422 HydrophobicContact CD2-CD2 3.61Å; L420-L422 HydrophobicContact CG-CD2 3.91Å; L420-L422 PolarHBondContact O-N 3.44Å; L420-L422 VanDerWaalsContact O-N 3.14Å; L422-S430 WeakPolarHBondContact O-CB 3.45Å; L422-S430 PolarHBondContact O-OG 3.36Å; L422-L431 HydrophobicContact CD2-CB 4.06Å; L422-L431 HydrophobicContact CD2-CD2 3.75Å; L422-L431 PolarHBondContact O-N 3.29Å; L422-N432 WeakPolarHBondContact O-CB 3.16Å; L422-N432 VanDerWaalsContact O-CG 3.28Å; L422-N432 PolarHBondContact O-N 3.34Å; L422-N432 PolarHBondContact O-ND2 3.16Å; L422-A444 HydrophobicContact CD1-CB 4.08Å; L422-V447 HydrophobicContact CD1-CB 4.13Å; L422-V447 HydrophobicContact CD1-CG1 4.38Å; L422-V447 HydrophobicContact CD1-CG2 3.93Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 4.01Å |
| 423 | A | 79.7 | Confident | 79.2 | Confident | 54 Ų | 54 | 32 Ų | 32 | 45% | 0.446 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -134.5 | -3.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G345 E425 | G345-A423 PolarHBondContact O-N 2.98Å; A423-E425 PolarHBondContact O-N 2.87Å |
| 424 | N | 71.2 | Confident | 79.5 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | trans | -85.2 | 115.9 | -178.2 | -179.2 | 32 | 0 | 0 | 0 | 111.2 | I343 N344 I346 N421 K426 T428 S430 | I343-N424 WeakPolarHBondContact CB-ND2 3.45Å; I343-N424 WeakPolarHBondContact CD1-ND2 3.36Å; I343-N424 HydrophobicContact CG2-CB 4.41Å; I343-N424 WeakPolarHBondContact CG2-ND2 3.21Å; I343-N424 VanDerWaalsContact CG2-OD1 3.26Å; I343-N424 WeakPolarHBondContact CG2-OD1 3.11Å; N344-N424 WeakPolarHBondContact O-CB 3.42Å; I346-N424 HydrophobicContact CG1-CB 4.39Å; N421-N424 PolarHBondContact ND2-O 3.37Å; N421-N424 WeakPolarHBondContact OD1-CA 3.34Å; N421-N424 WeakPolarHBondContact OD1-CB 3.3Å; N421-N424 PolarHBondContact OD1-N 3.2Å; N421-N424 PolarHBondContact OD1-O 3.34Å; N421-N424 VanDerWaalsContact OD1-O 3.09Å; N424-K426 PolarHBondContact ND2-O 3.4Å; N424-K426 PolarHBondContact OD1-N 3.37Å; N424-K426 PolarHBondContact OD1-O 3.01Å; N424-K426 VanDerWaalsContact OD1-O 3.06Å; N424-T428 VanDerWaalsContact O-O 3.13Å; N424-S430 WeakPolarHBondContact O-CB 3.31Å | ||
| 425 | E | 72.4 | Confident | 79.6 | Confident | 136 Ų | 136 | 34.6 Ų | 34.6 | 64% | 0.636 | 19% | 0.193 | S | C | * | . | trans | -90.6 | 0.1 | -176.9 | -56.8 | -165.9 | 144.7 | 0 | 0 | 114.2 | A423 T428 S433 | A423-E425 PolarHBondContact O-N 2.87Å; E425-T428 CarbonylContact C-O 3.5Å; E425-T428 WeakPolarHBondContact CA-O 3.34Å; E425-S433 PolarHBondContact OE1-OG 3.32Å | ||
| 426 | K | 64.8 | Low | 79.7 | Confident | 162 Ų | 162 | 37.6 Ų | 37.6 | 70% | 0.704 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -136.1 | 135.5 | 179.2 | -66.5 | -176 | -178.8 | 179.1 | 0 | 112.1 | N424 T428 | N424-K426 PolarHBondContact ND2-O 3.4Å; N424-K426 PolarHBondContact OD1-N 3.37Å; N424-K426 PolarHBondContact OD1-O 3.01Å; N424-K426 VanDerWaalsContact OD1-O 3.06Å; K426-T428 VanDerWaalsContact C-N 3.3Å; K426-T428 PolarHBondContact N-O 3.43Å |
| 427 | P | 58.7 | Low | 79.6 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -81 | -5.6 | 4.4 | 32.4 | -35.6 | 0 | 0 | 0 | 113.6 | P14 | P14-P427 HydrophobicContact CB-CG 4.47Å; P14-P427 HydrophobicContact CG-CG 4.04Å |
| 428 | T | 70.6 | Confident | 79.6 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -127.4 | 173.5 | -172.7 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | V396 K397 N424 E425 K426 | V396-T428 WeakPolarHBondContact CG1-OG1 3.46Å; K397-T428 PolarHBondContact O-OG1 2.89Å; N424-T428 VanDerWaalsContact O-O 3.13Å; E425-T428 CarbonylContact C-O 3.5Å; E425-T428 WeakPolarHBondContact CA-O 3.34Å; K426-T428 VanDerWaalsContact C-N 3.3Å; K426-T428 PolarHBondContact N-O 3.43Å |
| 429 | I | 77.8 | Confident | 79.7 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | trans | -68.6 | 146.7 | 178.6 | 66.8 | -176 | 0 | 0 | 0 | 112.3 | T392 V396 N421 I434 | T392-I429 HydrophobicContact CG2-CD1 3.4Å; T392-I429 HydrophobicContact CG2-CG1 4.31Å; V396-I429 HydrophobicContact CB-CD1 3.63Å; V396-I429 HydrophobicContact CB-CG1 4.15Å; V396-I429 HydrophobicContact CG1-CD1 3.79Å; V396-I429 HydrophobicContact CG1-CG1 3.72Å; V396-I429 HydrophobicContact CG2-CD1 4.07Å; N421-I429 PolarHBondContact ND2-O 3.49Å; I429-I434 HydrophobicContact CD1-CG2 4.39Å | ||
| 430 | S | 84.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | trans | -99.9 | 162.6 | 176 | 88.4 | 0 | 0 | 0 | 0 | 111.9 | L422 N424 N432 S433 | L422-S430 WeakPolarHBondContact O-CB 3.45Å; L422-S430 PolarHBondContact O-OG 3.36Å; N424-S430 WeakPolarHBondContact O-CB 3.31Å; S430-N432 VanDerWaalsContact C-N 3.32Å; S430-N432 PolarHBondContact OG-N 2.9Å; S430-S433 WeakPolarHBondContact O-CB 3.44Å; S430-S433 PolarHBondContact O-N 2.84Å; S430-S433 VanDerWaalsContact O-N 3.16Å; S430-S433 PolarHBondContact OG-N 3.37Å; S430-S433 PolarHBondContact OG-OG 3.15Å | ||
| 431 | L | 84.8 | Confident | 80 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -67.5 | -37.2 | 178.1 | -173.4 | 60.3 | 0 | 0 | 0 | 111.4 | F377 L382 I398 L420 N421 L422 S433 I434 I435 L442 | F377-L431 HydrophobicContact CD1-CD2 3.81Å; F377-L431 HydrophobicContact CD2-CD2 3.59Å; F377-L431 HydrophobicContact CE1-CD2 3.53Å; F377-L431 HydrophobicContact CE2-CD2 3.31Å; F377-L431 HydrophobicContact CG-CD2 3.83Å; F377-L431 HydrophobicContact CZ-CD2 3.24Å; L382-L431 HydrophobicContact CD1-CD1 4.03Å; L382-L431 HydrophobicContact CD2-CD1 4.29Å; L382-L431 HydrophobicContact CG-CD1 4.46Å; I398-L431 HydrophobicContact CD1-CB 4Å; I398-L431 HydrophobicContact CD1-CD1 4.15Å; L420-L431 HydrophobicContact CD2-CD2 4.03Å; N421-L431 WeakPolarHBondContact O-CB 3.48Å; N421-L431 PolarHBondContact O-N 2.84Å; L422-L431 HydrophobicContact CD2-CB 4.06Å; L422-L431 HydrophobicContact CD2-CD2 3.75Å; L422-L431 PolarHBondContact O-N 3.29Å; L431-S433 PolarHBondContact O-N 3.34Å; L431-I434 HydrophobicContact CD1-CD1 3.81Å; L431-I434 HydrophobicContact CD1-CG1 3.85Å; L431-I434 VanDerWaalsContact O-CG1 3.26Å; L431-I434 WeakPolarHBondContact O-CG1 3.39Å; L431-I434 PolarHBondContact O-N 2.7Å; L431-I435 WeakPolarHBondContact O-CG2 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å; L431-L442 HydrophobicContact CB-CD1 4.49Å; L431-L442 HydrophobicContact CD2-CD1 3.53Å; L431-L442 HydrophobicContact CG-CD1 3.67Å |
| 432 | N | 87.1 | Confident | 80.2 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.5 | 174.2 | -77.9 | -38.5 | 0 | 0 | 0 | 113.1 | L422 S430 I434 I435 L442 | L422-N432 WeakPolarHBondContact O-CB 3.16Å; L422-N432 VanDerWaalsContact O-CG 3.28Å; L422-N432 PolarHBondContact O-N 3.34Å; L422-N432 PolarHBondContact O-ND2 3.16Å; S430-N432 VanDerWaalsContact C-N 3.32Å; S430-N432 PolarHBondContact OG-N 2.9Å; N432-I434 VanDerWaalsContact C-N 3.29Å; N432-I434 PolarHBondContact O-N 2.84Å; N432-I435 WeakPolarHBondContact O-CG1 3.49Å; N432-L442 PolarHBondContact ND2-O 3.13Å; N432-L442 VanDerWaalsContact OD1-CB 3.28Å; N432-L442 WeakPolarHBondContact OD1-CB 3.28Å; N432-L442 PolarHBondContact OD1-N 3.22Å |
| 433 | S | 86 | Confident | 80.2 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.4 | 174.9 | -46.4 | 0 | 0 | 0 | 0 | 112.9 | E425 S430 L431 | E425-S433 PolarHBondContact OE1-OG 3.32Å; S430-S433 WeakPolarHBondContact O-CB 3.44Å; S430-S433 PolarHBondContact O-N 2.84Å; S430-S433 VanDerWaalsContact O-N 3.16Å; S430-S433 PolarHBondContact OG-N 3.37Å; S430-S433 PolarHBondContact OG-OG 3.15Å; L431-S433 PolarHBondContact O-N 3.34Å |
| 434 | I | 85.6 | Confident | 80.4 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 0.5 | -176.3 | 68.3 | 171.2 | 0 | 0 | 0 | 114.9 | L382 T392 I398 I429 L431 N432 | L382-I434 HydrophobicContact CD2-CD1 3.77Å; T392-I434 HydrophobicContact CG2-CD1 3.61Å; I398-I434 HydrophobicContact CD1-CD1 3.93Å; I429-I434 HydrophobicContact CD1-CG2 4.39Å; L431-I434 HydrophobicContact CD1-CD1 3.81Å; L431-I434 HydrophobicContact CD1-CG1 3.85Å; L431-I434 VanDerWaalsContact O-CG1 3.26Å; L431-I434 WeakPolarHBondContact O-CG1 3.39Å; L431-I434 PolarHBondContact O-N 2.7Å; N432-I434 VanDerWaalsContact C-N 3.29Å; N432-I434 PolarHBondContact O-N 2.84Å |
| 435 | I | 86 | Confident | 81.1 | Confident | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -69 | 158.3 | 169.7 | 59.3 | 176.4 | 0 | 0 | 0 | 110.7 | T380 L431 N432 K437 A439 L442 | T380-I435 HydrophobicContact CG2-CG2 4.38Å; L431-I435 WeakPolarHBondContact O-CG2 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å; N432-I435 WeakPolarHBondContact O-CG1 3.49Å; I435-K437 PolarHBondContact O-N 2.93Å; I435-A439 HydrophobicContact CD1-CB 4.16Å; I435-L442 HydrophobicContact CD1-CG 4.41Å; I435-L442 HydrophobicContact CG2-CD1 3.64Å; I435-L442 HydrophobicContact CG2-CG 4.17Å |
| 436 | P | 83 | Confident | 81.8 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 136.6 | 177.3 | -27.3 | 35.6 | 0 | 0 | 0 | 112.7 | G438 A439 | P436-G438 PolarHBondContact O-N 3.5Å; P436-A439 WeakPolarHBondContact O-CB 3.43Å; P436-A439 PolarHBondContact O-N 3.15Å |
| 437 | K | 81.6 | Confident | 82.9 | Confident | 217 Ų | 217 | 54 Ų | 54 | 94% | 0.943 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129 | 177.9 | -71.2 | -175.5 | 177.5 | -178.8 | 0 | 110.5 | I435 | I435-K437 PolarHBondContact O-N 2.93Š|
| 438 | G | 83.1 | Confident | 84.3 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 87% | 0.866 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -8.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P436 | P436-G438 PolarHBondContact O-N 3.5Š|
| 439 | A | 85.7 | Confident | 85.2 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 143 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I435 P436 | I435-A439 HydrophobicContact CD1-CB 4.16Å; P436-A439 WeakPolarHBondContact O-CB 3.43Å; P436-A439 PolarHBondContact O-N 3.15Å |
| 440 | P | 86.5 | Confident | 85.8 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -63 | 146.2 | 175.1 | 26.8 | -33.8 | 0 | 0 | 0 | 110.5 | L442 | P440-L442 PolarHBondContact O-N 2.74Š|
| 441 | P | 86 | Confident | 86 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 134.6 | 176 | -24.2 | 33.3 | 0 | 0 | 0 | 111.7 | Q443 | P441-Q443 PolarHBondContact O-N 2.78Š|
| 442 | L | 85.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 126.6 | 173.7 | -61.1 | 171 | 0 | 0 | 0 | 109.6 | F377 L431 N432 I435 P440 V447 | F377-L442 HydrophobicContact CD1-CD1 3.88Å; F377-L442 HydrophobicContact CE1-CD1 3.45Å; F377-L442 VanDerWaalsContact CE1-CD1 3.45Å; F377-L442 HydrophobicContact CE1-CD2 4.06Å; F377-L442 HydrophobicContact CE1-CG 4.34Å; F377-L442 HydrophobicContact CZ-CD1 4.22Å; L431-L442 HydrophobicContact CB-CD1 4.49Å; L431-L442 HydrophobicContact CD2-CD1 3.53Å; L431-L442 HydrophobicContact CG-CD1 3.67Å; N432-L442 PolarHBondContact ND2-O 3.13Å; N432-L442 VanDerWaalsContact OD1-CB 3.28Å; N432-L442 WeakPolarHBondContact OD1-CB 3.28Å; N432-L442 PolarHBondContact OD1-N 3.22Å; I435-L442 HydrophobicContact CD1-CG 4.41Å; I435-L442 HydrophobicContact CG2-CD1 3.64Å; I435-L442 HydrophobicContact CG2-CG 4.17Å; P440-L442 PolarHBondContact O-N 2.74Å; L442-V447 HydrophobicContact CB-CG2 3.91Å |
| 443 | Q | 84.4 | Confident | 86.5 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 143.5 | 174.7 | -64.1 | -177.9 | 59 | 0 | 0 | 110.4 | L298 P441 A445 Q446 V447 | L298-Q443 HydrophobicContact CD2-CB 3.88Å; L298-Q443 HydrophobicContact CD2-CG 4.29Å; P441-Q443 PolarHBondContact O-N 2.78Å; Q443-A445 VanDerWaalsContact C-N 3.31Å; Q443-A445 PolarHBondContact O-N 3.37Å; Q443-Q446 PolarHBondContact O-N 2.59Å; Q443-Q446 VanDerWaalsContact O-N 3.12Å; Q443-V447 WeakPolarHBondContact O-CG2 3.44Å; Q443-V447 PolarHBondContact O-N 2.87Å |
| 444 | A | 83.7 | Confident | 86.8 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.6 | -47.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A347 L422 Q446 V447 I448 | A347-A444 HydrophobicContact CB-CB 4Å; L422-A444 HydrophobicContact CD1-CB 4.08Å; A444-Q446 PolarHBondContact O-N 2.92Å; A444-V447 PolarHBondContact O-N 3.24Å; A444-I448 HydrophobicContact CB-CD1 4.29Å; A444-I448 WeakPolarHBondContact O-CB 3.41Å; A444-I448 VanDerWaalsContact O-CD1 3.31Å; A444-I448 WeakPolarHBondContact O-CD1 3.34Å; A444-I448 WeakPolarHBondContact O-CG1 3.37Å; A444-I448 PolarHBondContact O-N 2.9Å |
| 445 | A | 86.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.9 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | F294 D295 L298 Y299 Q443 A449 | F294-A445 HydrophobicContact CD2-CB 4.15Å; F294-A445 HydrophobicContact CE2-CB 3.85Å; F294-A445 HydrophobicContact CZ-CB 4.46Å; D295-A445 HydrophobicContact CB-CB 4.3Å; D295-A445 WeakPolarHBondContact O-CB 3.33Å; L298-A445 HydrophobicContact CB-CB 4.36Å; L298-A445 HydrophobicContact CD2-CB 4.26Å; L298-A445 HydrophobicContact CG-CB 4.48Å; Y299-A445 WeakPolarHBondContact CD2-O 3.46Å; Q443-A445 VanDerWaalsContact C-N 3.31Å; Q443-A445 PolarHBondContact O-N 3.37Å; A445-A449 WeakPolarHBondContact O-CB 3.42Å; A445-A449 PolarHBondContact O-N 3.23Å; A445-A449 VanDerWaalsContact O-N 3.09Å |
| 446 | Q | 87.1 | Confident | 87.3 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 178.6 | -176.6 | -177.7 | 13.5 | 0 | 0 | 111.8 | L298 Y302 Q443 A444 I448 A449 L450 | L298-Q446 HydrophobicContact CD2-CB 4.2Å; L298-Q446 HydrophobicContact CG-CB 4.36Å; Y302-Q446 HydrophobicContact CD1-CG 4.02Å; Y302-Q446 HydrophobicContact CD2-CB 4.48Å; Y302-Q446 HydrophobicContact CD2-CG 3.96Å; Y302-Q446 HydrophobicContact CE1-CG 4.2Å; Y302-Q446 VanDerWaalsContact CE1-NE2 3.34Å; Y302-Q446 HydrophobicContact CE2-CG 4.14Å; Y302-Q446 HydrophobicContact CG-CG 3.89Å; Y302-Q446 VanDerWaalsContact CZ-NE2 3.33Å; Y302-Q446 PolarHBondContact OH-NE2 3.34Å; Q443-Q446 PolarHBondContact O-N 2.59Å; Q443-Q446 VanDerWaalsContact O-N 3.12Å; A444-Q446 PolarHBondContact O-N 2.92Å; Q446-I448 VanDerWaalsContact C-N 3.33Å; Q446-I448 PolarHBondContact O-N 2.82Å; Q446-A449 PolarHBondContact O-N 3.4Å; Q446-L450 HydrophobicContact CG-CD1 4.08Å; Q446-L450 WeakPolarHBondContact O-CG 3.41Å; Q446-L450 PolarHBondContact O-N 3.2Å |
| 447 | V | 87.2 | Confident | 87.7 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -47.8 | 179.5 | 165 | 0 | 0 | 0 | 0 | 111.1 | F377 L420 L422 L442 Q443 A444 A449 L450 A451 | F377-V447 HydrophobicContact CE1-CG2 3.83Å; F377-V447 HydrophobicContact CE2-CG1 4.18Å; F377-V447 HydrophobicContact CZ-CB 4.07Å; F377-V447 HydrophobicContact CZ-CG1 3.51Å; F377-V447 HydrophobicContact CZ-CG2 3.57Å; L420-V447 HydrophobicContact CD2-CG1 4.15Å; L422-V447 HydrophobicContact CD1-CB 4.13Å; L422-V447 HydrophobicContact CD1-CG1 4.38Å; L422-V447 HydrophobicContact CD1-CG2 3.93Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 4.01Å; L442-V447 HydrophobicContact CB-CG2 3.91Å; Q443-V447 WeakPolarHBondContact O-CG2 3.44Å; Q443-V447 PolarHBondContact O-N 2.87Å; A444-V447 PolarHBondContact O-N 3.24Å; V447-A449 PolarHBondContact O-N 3Å; V447-L450 PolarHBondContact O-N 2.82Å; V447-A451 VanDerWaalsContact O-CB 3.25Å; V447-A451 WeakPolarHBondContact O-CB 3.45Å; V447-A451 PolarHBondContact O-N 3Å |
| 448 | I | 88.2 | Confident | 88.2 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | -177.7 | -69.5 | 162.6 | 0 | 0 | 0 | 110.9 | Y299 L333 L335 L349 A444 Q446 A451 L452 | Y299-I448 HydrophobicContact CD2-CG2 4.27Å; Y299-I448 HydrophobicContact CE2-CG2 3.85Å; L333-I448 HydrophobicContact CD2-CG2 4.15Å; L335-I448 HydrophobicContact CD1-CD1 4.12Å; L335-I448 HydrophobicContact CD1-CG2 4.17Å; L335-I448 HydrophobicContact CD2-CD1 3.94Å; L335-I448 HydrophobicContact CD2-CG2 3.82Å; L349-I448 HydrophobicContact CD1-CG2 3.53Å; A444-I448 HydrophobicContact CB-CD1 4.29Å; A444-I448 WeakPolarHBondContact O-CB 3.41Å; A444-I448 VanDerWaalsContact O-CD1 3.31Å; A444-I448 WeakPolarHBondContact O-CD1 3.34Å; A444-I448 WeakPolarHBondContact O-CG1 3.37Å; A444-I448 PolarHBondContact O-N 2.9Å; Q446-I448 VanDerWaalsContact C-N 3.33Å; Q446-I448 PolarHBondContact O-N 2.82Å; I448-A451 WeakPolarHBondContact O-CB 3.19Å; I448-A451 PolarHBondContact O-N 3.36Å; I448-L452 HydrophobicContact CG2-CD1 4.22Å; I448-L452 WeakPolarHBondContact O-CG 3.37Å; I448-L452 PolarHBondContact O-N 2.84Å |
| 449 | A | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y299 L303 A445 Q446 V447 A451 S453 | Y299-A449 HydrophobicContact CD2-CB 3.64Å; Y299-A449 HydrophobicContact CE2-CB 3.85Å; Y299-A449 HydrophobicContact CG-CB 4.37Å; Y299-A449 VanDerWaalsContact O-CB 3.22Å; Y299-A449 WeakPolarHBondContact O-CB 3.4Å; L303-A449 HydrophobicContact CB-CB 4.2Å; L303-A449 HydrophobicContact CD1-CB 4.41Å; A445-A449 WeakPolarHBondContact O-CB 3.42Å; A445-A449 PolarHBondContact O-N 3.23Å; A445-A449 VanDerWaalsContact O-N 3.09Å; Q446-A449 PolarHBondContact O-N 3.4Å; V447-A449 PolarHBondContact O-N 3Å; A449-A451 VanDerWaalsContact C-N 3.35Å; A449-S453 WeakPolarHBondContact O-CB 3.5Å; A449-S453 PolarHBondContact O-N 3.45Å; A449-S453 PolarHBondContact O-OG 3.3Å |
| 450 | L | 90 | Very high | 88.7 | Confident | 55 Ų | 55 | 34.3 Ų | 34.3 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66 | -38.1 | 176.7 | -68.1 | 174 | 0 | 0 | 0 | 111.9 | Y302 C376 Q446 V447 S453 S454 | Y302-L450 HydrophobicContact CD1-CD2 4.28Å; C376-L450 HydrophobicContact CB-CB 4.47Å; C376-L450 PolarHBondContact SG-O 3.15Å; C376-L450 VanDerWaalsContact SG-O 3.37Å; Q446-L450 HydrophobicContact CG-CD1 4.08Å; Q446-L450 WeakPolarHBondContact O-CG 3.41Å; Q446-L450 PolarHBondContact O-N 3.2Å; V447-L450 PolarHBondContact O-N 2.82Å; L450-S453 PolarHBondContact O-N 3.5Å; L450-S454 PolarHBondContact O-N 2.57Å; L450-S454 PolarHBondContact O-OG 2.71Å |
| 451 | A | 89.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -55.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L349 M372 C376 V447 I448 A449 S453 S454 M455 | L349-A451 HydrophobicContact CD2-CB 4.04Å; M372-A451 HydrophobicContact CE-CB 4.48Å; M372-A451 HydrophobicContact CG-CB 4.17Å; M372-A451 WeakPolarHBondContact CG-O 3.49Å; M372-A451 HydrophobicContact SD-CB 3.35Å; M372-A451 WeakPolarHBondContact SD-CB 2.82Å; C376-A451 WeakPolarHBondContact SG-CA 3.22Å; C376-A451 PolarHBondContact SG-N 3.25Å; V447-A451 VanDerWaalsContact O-CB 3.25Å; V447-A451 WeakPolarHBondContact O-CB 3.45Å; V447-A451 PolarHBondContact O-N 3Å; I448-A451 WeakPolarHBondContact O-CB 3.19Å; I448-A451 PolarHBondContact O-N 3.36Å; A449-A451 VanDerWaalsContact C-N 3.35Å; A451-S453 VanDerWaalsContact C-N 3.31Å; A451-S453 PolarHBondContact O-N 3.12Å; A451-S454 PolarHBondContact O-N 2.92Å; A451-S454 VanDerWaalsContact O-N 3.16Å; A451-M455 PolarHBondContact O-N 2.89Å |
| 452 | L | 90.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 180 | -67.4 | 169.5 | 0 | 0 | 0 | 112.8 | Y299 L303 T305 L333 L349 F351 I448 S454 M455 E456 | Y299-L452 HydrophobicContact CE2-CD1 4.21Å; Y299-L452 VanDerWaalsContact OH-CD1 3.3Å; Y299-L452 WeakPolarHBondContact OH-CD1 3.32Å; L303-L452 HydrophobicContact CD1-CB 4.07Å; L303-L452 HydrophobicContact CD1-CD1 4.46Å; T305-L452 HydrophobicContact CG2-CB 4.36Å; L333-L452 HydrophobicContact CD1-CD1 3.6Å; L333-L452 HydrophobicContact CD1-CD2 3.94Å; L333-L452 HydrophobicContact CD1-CG 4.32Å; L333-L452 HydrophobicContact CD2-CD1 3.35Å; L333-L452 HydrophobicContact CG-CD1 4.06Å; L349-L452 HydrophobicContact CD1-CD1 4.43Å; L349-L452 HydrophobicContact CD1-CD2 4.35Å; L349-L452 HydrophobicContact CD1-CG 4.45Å; L349-L452 HydrophobicContact CD2-CD2 4.29Å; L349-L452 HydrophobicContact CD2-CG 4.45Å; F351-L452 HydrophobicContact CD1-CD2 3.96Å; F351-L452 HydrophobicContact CE1-CD2 4.24Å; F351-L452 HydrophobicContact CG-CD2 4.22Å; I448-L452 HydrophobicContact CG2-CD1 4.22Å; I448-L452 WeakPolarHBondContact O-CG 3.37Å; I448-L452 PolarHBondContact O-N 2.84Å; L452-S454 VanDerWaalsContact C-N 3.3Å; L452-S454 PolarHBondContact O-N 2.89Å; L452-M455 WeakPolarHBondContact O-CB 3.36Å; L452-M455 PolarHBondContact O-N 3.05Å; L452-E456 PolarHBondContact O-N 3.34Å |
| 453 | S | 92.1 | Very high | 89.1 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | K304 A449 L450 A451 K457 | K304-S453 PolarHBondContact N-OG 3.28Å; A449-S453 WeakPolarHBondContact O-CB 3.5Å; A449-S453 PolarHBondContact O-N 3.45Å; A449-S453 PolarHBondContact O-OG 3.3Å; L450-S453 PolarHBondContact O-N 3.5Å; A451-S453 VanDerWaalsContact C-N 3.31Å; A451-S453 PolarHBondContact O-N 3.12Å; S453-K457 PolarHBondContact O-N 2.71Å |
| 454 | S | 91.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.1 | -40.6 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | L450 A451 L452 K457 F458 | L450-S454 PolarHBondContact O-N 2.57Å; L450-S454 PolarHBondContact O-OG 2.71Å; A451-S454 PolarHBondContact O-N 2.92Å; A451-S454 VanDerWaalsContact O-N 3.16Å; L452-S454 VanDerWaalsContact C-N 3.3Å; L452-S454 PolarHBondContact O-N 2.89Å; S454-K457 WeakPolarHBondContact O-CB 3.21Å; S454-K457 PolarHBondContact O-N 3.17Å; S454-F458 WeakPolarHBondContact O-CG 3.3Å; S454-F458 PolarHBondContact O-N 3.05Å |
| 455 | M | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 177.7 | -171.2 | 62.9 | -175 | 0 | 0 | 111.8 | M308 F351 F365 I368 M372 A451 L452 K457 F458 V459 | M308-M455 HydrophobicContact SD-CB 4.47Å; M308-M455 HydrophobicContact SD-CG 4.21Å; F351-M455 HydrophobicContact CE2-CE 4.23Å; F351-M455 HydrophobicContact CE2-CG 4.14Å; F351-M455 HydrophobicContact CZ-CE 3.9Å; F351-M455 HydrophobicContact CZ-CG 3.73Å; F351-M455 HydrophobicContact CZ-SD 4.17Å; F365-M455 HydrophobicContact CD1-CE 4.46Å; F365-M455 HydrophobicContact CD2-CE 4.06Å; F365-M455 HydrophobicContact CE1-CE 3.83Å; F365-M455 HydrophobicContact CE2-CE 3.32Å; F365-M455 HydrophobicContact CZ-CE 3.21Å; I368-M455 HydrophobicContact CD1-CE 3.77Å; I368-M455 HydrophobicContact CD1-SD 4.42Å; I368-M455 HydrophobicContact CG1-CE 3.91Å; I368-M455 HydrophobicContact CG1-SD 4.3Å; M372-M455 HydrophobicContact CB-SD 4.45Å; M372-M455 HydrophobicContact CG-CB 4.13Å; A451-M455 PolarHBondContact O-N 2.89Å; L452-M455 WeakPolarHBondContact O-CB 3.36Å; L452-M455 PolarHBondContact O-N 3.05Å; M455-K457 VanDerWaalsContact C-N 3.27Å; M455-K457 PolarHBondContact O-N 3.05Å; M455-F458 PolarHBondContact O-N 3.13Å; M455-V459 HydrophobicContact CE-CG2 4.07Å; M455-V459 WeakPolarHBondContact O-CG2 3.22Å; M455-V459 PolarHBondContact O-N 3.38Å |
| 456 | E | 91 | Very high | 89.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -35.7 | -179.8 | -164.8 | -173.6 | 73.2 | 0 | 0 | 111.6 | T305 S306 T307 M308 L452 R460 | T305-E456 WeakPolarHBondContact CA-OE1 3.4Å; T305-E456 WeakPolarHBondContact CB-OE2 3.47Å; T305-E456 HydrophobicContact CG2-CB 4.12Å; S306-E456 VanDerWaalsContact N-CD 3.34Å; S306-E456 PolarHBondContact N-OE1 3.09Å; S306-E456 PolarHBondContact N-OE2 3.26Å; S306-E456 PolarHBondContact OG-OE1 2.86Å; S306-E456 VanDerWaalsContact OG-OE1 3.13Å; S306-E456 PolarHBondContact OG-OE2 2.85Å; T307-E456 PolarHBondContact N-OE2 2.97Å; T307-E456 PolarHBondContact OG1-OE2 2.58Å; T307-E456 VanDerWaalsContact OG1-OE2 3.13Å; M308-E456 HydrophobicContact CB-CB 4.4Å; M308-E456 HydrophobicContact CB-CG 4.5Å; M308-E456 HydrophobicContact CG-CB 4.16Å; M308-E456 HydrophobicContact CG-CG 4.05Å; M308-E456 PolarHBondContact N-OE2 2.71Å; M308-E456 HydrophobicContact SD-CB 3.84Å; M308-E456 HydrophobicContact SD-CG 4.19Å; L452-E456 PolarHBondContact O-N 3.34Å; E456-R460 VanDerWaalsContact CD-NH1 3.32Å; E456-R460 WeakPolarHBondContact O-CG 3.39Å; E456-R460 PolarHBondContact O-N 2.97Å; E456-R460 PolarHBondContact O-NE 2.85Å; E456-R460 IonicContact OE1-CZ 3.2Å; E456-R460 VanDerWaalsContact OE1-CZ 3.26Å; E456-R460 IonicContact OE1-NH1 3.43Å; E456-R460 PolarHBondContact OE1-NH1 2.99Å; E456-R460 IonicContact OE1-NH2 2.83Å; E456-R460 PolarHBondContact OE1-NH2 3.49Å |
| 457 | K | 91.8 | Very high | 89.4 | Confident | 101 Ų | 101 | 37 Ų | 37 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 170.8 | -177.2 | -179.2 | 177.7 | 178.2 | 0 | 111.6 | S453 S454 M455 R460 M461 | S453-K457 PolarHBondContact O-N 2.71Å; S454-K457 WeakPolarHBondContact O-CB 3.21Å; S454-K457 PolarHBondContact O-N 3.17Å; M455-K457 VanDerWaalsContact C-N 3.27Å; M455-K457 PolarHBondContact O-N 3.05Å; K457-R460 PolarHBondContact O-N 2.79Å; K457-M461 WeakPolarHBondContact O-CG 3.28Å; K457-M461 PolarHBondContact O-N 3.23Å |
| 458 | F | 91.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 179.5 | -63.6 | -22.6 | 0 | 0 | 0 | 112.9 | I368 L371 M372 F375 S454 M455 R460 M461 V462 L470 | I368-F458 HydrophobicContact CB-CB 4.18Å; I368-F458 HydrophobicContact CB-CD2 4.32Å; I368-F458 HydrophobicContact CD1-CB 4.39Å; I368-F458 WeakPolarHBondContact O-CD2 3.19Å; L371-F458 HydrophobicContact CB-CE2 4.12Å; L371-F458 HydrophobicContact CD2-CE1 4.5Å; L371-F458 HydrophobicContact CD2-CE2 3.99Å; L371-F458 HydrophobicContact CD2-CZ 3.94Å; L371-F458 HydrophobicContact CG-CE2 3.81Å; L371-F458 HydrophobicContact CG-CZ 3.94Å; M372-F458 HydrophobicContact CB-CD2 4.14Å; M372-F458 HydrophobicContact CB-CE2 4.02Å; F375-F458 HydrophobicContact CB-CE2 4.38Å; F375-F458 HydrophobicContact CB-CZ 3.9Å; F375-F458 HydrophobicContact CD2-CE1 4.38Å; F375-F458 AromaticContact CD2-CZ 3.89Å; F375-F458 HydrophobicContact CD2-CZ 3.89Å; F375-F458 AromaticContact CG-CZ 3.89Å; F375-F458 HydrophobicContact CG-CZ 3.89Å; S454-F458 WeakPolarHBondContact O-CG 3.3Å; S454-F458 PolarHBondContact O-N 3.05Å; M455-F458 PolarHBondContact O-N 3.13Å; F458-R460 VanDerWaalsContact C-N 3.33Å; F458-R460 PolarHBondContact O-N 3.13Å; F458-M461 HydrophobicContact CD1-SD 4.06Å; F458-M461 WeakPolarHBondContact O-CB 3.3Å; F458-M461 PolarHBondContact O-N 2.73Å; F458-M461 VanDerWaalsContact O-N 3.1Å; F458-V462 WeakPolarHBondContact O-CG2 3.37Å; F458-V462 PolarHBondContact O-N 2.77Å; F458-L470 HydrophobicContact CB-CD2 4.18Å; F458-L470 HydrophobicContact CD1-CD2 3.55Å; F458-L470 HydrophobicContact CE1-CD2 4.08Å; F458-L470 HydrophobicContact CG-CD2 3.93Å |
| 459 | V | 89.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 172.6 | 166.7 | 0 | 0 | 0 | 0 | 110.4 | M308 L353 F360 F365 I368 M455 M461 V462 E463 | M308-V459 HydrophobicContact CE-CB 4.1Å; M308-V459 HydrophobicContact CE-CG1 4.13Å; M308-V459 HydrophobicContact CE-CG2 3.74Å; L353-V459 HydrophobicContact CD2-CG1 4.43Å; L353-V459 HydrophobicContact CD2-CG2 4.1Å; F360-V459 HydrophobicContact CE1-CG2 4.35Å; F360-V459 HydrophobicContact CZ-CB 4.34Å; F360-V459 HydrophobicContact CZ-CG1 3.88Å; F360-V459 HydrophobicContact CZ-CG2 4.42Å; F365-V459 HydrophobicContact CE2-CG2 4.18Å; I368-V459 HydrophobicContact CD1-CG2 4.4Å; M455-V459 HydrophobicContact CE-CG2 4.07Å; M455-V459 WeakPolarHBondContact O-CG2 3.22Å; M455-V459 PolarHBondContact O-N 3.38Å; V459-M461 VanDerWaalsContact C-N 3.29Å; V459-M461 PolarHBondContact O-N 2.79Å; V459-V462 WeakPolarHBondContact O-CB 3.38Å; V459-V462 PolarHBondContact O-N 2.76Å; V459-V462 VanDerWaalsContact O-N 3.1Å; V459-E463 WeakPolarHBondContact O-CG 3.49Å; V459-E463 PolarHBondContact O-N 3Å |
| 460 | R | 89.6 | Confident | 89.5 | Confident | 84 Ų | 84 | 47 Ų | 47 | 32% | 0.317 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.3 | -35.1 | 174.4 | -75.8 | -174.7 | -73.6 | -109.7 | -7.1 | 113.7 | S306 E456 K457 F458 K464 | S306-R460 PolarHBondContact OG-NH1 3.24Å; E456-R460 VanDerWaalsContact CD-NH1 3.32Å; E456-R460 WeakPolarHBondContact O-CG 3.39Å; E456-R460 PolarHBondContact O-N 2.97Å; E456-R460 PolarHBondContact O-NE 2.85Å; E456-R460 IonicContact OE1-CZ 3.2Å; E456-R460 VanDerWaalsContact OE1-CZ 3.26Å; E456-R460 IonicContact OE1-NH1 3.43Å; E456-R460 PolarHBondContact OE1-NH1 2.99Å; E456-R460 IonicContact OE1-NH2 2.83Å; E456-R460 PolarHBondContact OE1-NH2 3.49Å; K457-R460 PolarHBondContact O-N 2.79Å; F458-R460 VanDerWaalsContact C-N 3.33Å; F458-R460 PolarHBondContact O-N 3.13Å; R460-K464 WeakPolarHBondContact O-CB 3.48Å; R460-K464 VanDerWaalsContact O-CG 3.27Å; R460-K464 WeakPolarHBondContact O-CG 3.39Å; R460-K464 PolarHBondContact O-N 2.83Å |
| 461 | M | 91.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.1 | -72.4 | 176.2 | 69.7 | 0 | 0 | 111.5 | K457 F458 V459 K464 N465 S466 E469 L470 | K457-M461 WeakPolarHBondContact O-CG 3.28Å; K457-M461 PolarHBondContact O-N 3.23Å; F458-M461 HydrophobicContact CD1-SD 4.06Å; F458-M461 WeakPolarHBondContact O-CB 3.3Å; F458-M461 PolarHBondContact O-N 2.73Å; F458-M461 VanDerWaalsContact O-N 3.1Å; V459-M461 VanDerWaalsContact C-N 3.29Å; V459-M461 PolarHBondContact O-N 2.79Å; M461-K464 CarbonylContact O-C 3.57Å; M461-K464 PolarHBondContact O-N 2.58Å; M461-N465 PolarHBondContact O-N 3.07Å; M461-S466 WeakPolarHBondContact O-CB 3.31Å; M461-S466 PolarHBondContact O-N 3Å; M461-E469 HydrophobicContact CE-CB 3.78Å; M461-E469 WeakPolarHBondContact CE-OE2 3.28Å; M461-L470 HydrophobicContact CB-CD1 4.02Å; M461-L470 HydrophobicContact CB-CD2 4.45Å; M461-L470 HydrophobicContact CB-CG 4.33Å; M461-L470 HydrophobicContact CE-CD2 3.83Å; M461-L470 HydrophobicContact CE-CG 4.01Å; M461-L470 HydrophobicContact SD-CD2 3.83Å; M461-L470 HydrophobicContact SD-CG 4.46Å |
| 462 | V | 88.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 175 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | F360 L364 I368 F458 V459 K464 N465 T467 L470 | F360-V462 HydrophobicContact CD1-CB 4.48Å; F360-V462 HydrophobicContact CD1-CG1 3.88Å; F360-V462 HydrophobicContact CD2-CG1 3.96Å; F360-V462 HydrophobicContact CE1-CB 3.76Å; F360-V462 HydrophobicContact CE1-CG1 3.64Å; F360-V462 HydrophobicContact CE1-CG2 4.04Å; F360-V462 HydrophobicContact CE2-CB 4.16Å; F360-V462 HydrophobicContact CE2-CG1 3.72Å; F360-V462 HydrophobicContact CG-CG1 4.04Å; F360-V462 HydrophobicContact CZ-CB 3.57Å; F360-V462 HydrophobicContact CZ-CG1 3.54Å; F360-V462 HydrophobicContact CZ-CG2 4.32Å; L364-V462 HydrophobicContact CD2-CG1 3.95Å; L364-V462 HydrophobicContact CD2-CG2 3.97Å; I368-V462 HydrophobicContact CD1-CG2 4.31Å; F458-V462 WeakPolarHBondContact O-CG2 3.37Å; F458-V462 PolarHBondContact O-N 2.77Å; V459-V462 WeakPolarHBondContact O-CB 3.38Å; V459-V462 PolarHBondContact O-N 2.76Å; V459-V462 VanDerWaalsContact O-N 3.1Å; V462-K464 PolarHBondContact O-N 2.87Å; V462-N465 WeakPolarHBondContact O-CA 3.46Å; V462-N465 PolarHBondContact O-N 2.83Å; V462-T467 HydrophobicContact CG1-CG2 4.23Å; V462-T467 HydrophobicContact CG2-CG2 4.5Å; V462-L470 HydrophobicContact CG2-CD1 3.52Å |
| 463 | E | 87.2 | Confident | 89.4 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -30.6 | 177.6 | -69.1 | 171.3 | 161.2 | 0 | 0 | 112.8 | F360 V459 N465 | F360-E463 HydrophobicContact CE2-CG 3.94Å; F360-E463 HydrophobicContact CZ-CG 4.29Å; V459-E463 WeakPolarHBondContact O-CG 3.49Å; V459-E463 PolarHBondContact O-N 3Å; E463-N465 VanDerWaalsContact C-N 3.27Å; E463-N465 PolarHBondContact O-N 3.44Å |
| 464 | K | 89.4 | Confident | 89.3 | Confident | 160 Ų | 160 | 51 Ų | 51 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.2 | 173.7 | -69.3 | 177.8 | -180 | -173.2 | 0 | 113.8 | R460 M461 V462 S466 | R460-K464 WeakPolarHBondContact O-CB 3.48Å; R460-K464 VanDerWaalsContact O-CG 3.27Å; R460-K464 WeakPolarHBondContact O-CG 3.39Å; R460-K464 PolarHBondContact O-N 2.83Å; M461-K464 CarbonylContact O-C 3.57Å; M461-K464 PolarHBondContact O-N 2.58Å; V462-K464 PolarHBondContact O-N 2.87Å; K464-S466 PolarHBondContact O-N 3.41Å |
| 465 | N | 85.2 | Confident | 89.1 | Confident | 123 Ų | 123 | 54.6 Ų | 54.6 | 66% | 0.658 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 17 | -175.9 | -62 | -54.4 | 0 | 0 | 0 | 115.5 | M461 V462 E463 T467 | M461-N465 PolarHBondContact O-N 3.07Å; V462-N465 WeakPolarHBondContact O-CA 3.46Å; V462-N465 PolarHBondContact O-N 2.83Å; E463-N465 VanDerWaalsContact C-N 3.27Å; E463-N465 PolarHBondContact O-N 3.44Å; N465-T467 PolarHBondContact O-N 3.19Å |
| 466 | S | 87.4 | Confident | 89 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | trans | -77.5 | 41.3 | 173.2 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | M461 K464 D468 E469 | M461-S466 WeakPolarHBondContact O-CB 3.31Å; M461-S466 PolarHBondContact O-N 3Å; K464-S466 PolarHBondContact O-N 3.41Å; S466-D468 VanDerWaalsContact C-N 3.33Å; S466-D468 PolarHBondContact O-N 3.04Å; S466-E469 PolarHBondContact OG-OE1 3.3Å | ||
| 467 | T | 84.7 | Confident | 89 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -28.9 | -175.3 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | L364 V462 N465 L470 R471 | L364-T467 HydrophobicContact CD2-CG2 3.95Å; V462-T467 HydrophobicContact CG1-CG2 4.23Å; V462-T467 HydrophobicContact CG2-CG2 4.5Å; N465-T467 PolarHBondContact O-N 3.19Å; T467-L470 WeakPolarHBondContact O-CB 3.47Å; T467-L470 PolarHBondContact O-N 3.26Å; T467-R471 WeakPolarHBondContact O-CG 3.43Å; T467-R471 PolarHBondContact O-N 3.01Å; T467-R471 PolarHBondContact OG1-NH1 2.88Å |
| 468 | D | 87.2 | Confident | 89 | Confident | 107 Ų | 107 | 59.3 Ų | 59.3 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.7 | -31.8 | -179.7 | -65.7 | -28.2 | 0 | 0 | 0 | 112.9 | S466 L470 R471 A472 | S466-D468 VanDerWaalsContact C-N 3.33Å; S466-D468 PolarHBondContact O-N 3.04Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-R471 PolarHBondContact O-N 3.35Å; D468-R471 IonicContact OD1-CZ 2.67Å; D468-R471 IonicContact OD1-NH1 2.71Å; D468-R471 PolarHBondContact OD1-NH1 2.93Å; D468-A472 WeakPolarHBondContact O-CB 3.25Å; D468-A472 PolarHBondContact O-N 3.4Å |
| 469 | E | 90.4 | Very high | 88.8 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 170.3 | -67.1 | 176.1 | -131.7 | 0 | 0 | 111.2 | M461 S466 A472 L473 | M461-E469 HydrophobicContact CE-CB 3.78Å; M461-E469 WeakPolarHBondContact CE-OE2 3.28Å; S466-E469 PolarHBondContact OG-OE1 3.3Å; E469-A472 PolarHBondContact O-N 3.18Å; E469-L473 WeakPolarHBondContact O-CG 3.46Å; E469-L473 PolarHBondContact O-N 3.12Å |
| 470 | L | 89.7 | Confident | 88.6 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176 | -64.6 | 172 | 0 | 0 | 0 | 111.5 | I368 L371 F458 M461 V462 T467 D468 L473 Y474 | I368-L470 HydrophobicContact CG2-CB 4.39Å; I368-L470 HydrophobicContact CG2-CD1 3.78Å; I368-L470 HydrophobicContact CG2-CG 4.47Å; L371-L470 HydrophobicContact CD2-CD2 4.31Å; F458-L470 HydrophobicContact CB-CD2 4.18Å; F458-L470 HydrophobicContact CD1-CD2 3.55Å; F458-L470 HydrophobicContact CE1-CD2 4.08Å; F458-L470 HydrophobicContact CG-CD2 3.93Å; M461-L470 HydrophobicContact CB-CD1 4.02Å; M461-L470 HydrophobicContact CB-CD2 4.45Å; M461-L470 HydrophobicContact CB-CG 4.33Å; M461-L470 HydrophobicContact CE-CD2 3.83Å; M461-L470 HydrophobicContact CE-CG 4.01Å; M461-L470 HydrophobicContact SD-CD2 3.83Å; M461-L470 HydrophobicContact SD-CG 4.46Å; V462-L470 HydrophobicContact CG2-CD1 3.52Å; T467-L470 WeakPolarHBondContact O-CB 3.47Å; T467-L470 PolarHBondContact O-N 3.26Å; D468-L470 VanDerWaalsContact C-N 3.34Å; L470-L473 PolarHBondContact O-N 2.84Å; L470-Y474 WeakPolarHBondContact O-CB 3.5Å; L470-Y474 PolarHBondContact O-N 2.86Å |
| 471 | R | 87.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 173.7 | -71.5 | -177.3 | -179.8 | 93.4 | 5.9 | 111.5 | T467 D468 Y474 R475 K501 | T467-R471 WeakPolarHBondContact O-CG 3.43Å; T467-R471 PolarHBondContact O-N 3.01Å; T467-R471 PolarHBondContact OG1-NH1 2.88Å; D468-R471 PolarHBondContact O-N 3.35Å; D468-R471 IonicContact OD1-CZ 2.67Å; D468-R471 IonicContact OD1-NH1 2.71Å; D468-R471 PolarHBondContact OD1-NH1 2.93Å; R471-Y474 PolarHBondContact O-N 3.48Å; R471-R475 PolarHBondContact O-N 3.37Å; R471-K501 PolarHBondContact NH2-O 3.06Å |
| 472 | A | 89.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 62 Ų | 62 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D468 E469 R475 K476 | D468-A472 WeakPolarHBondContact O-CB 3.25Å; D468-A472 PolarHBondContact O-N 3.4Å; E469-A472 PolarHBondContact O-N 3.18Å; A472-R475 PolarHBondContact O-N 3.48Å; A472-K476 PolarHBondContact O-N 2.67Å |
| 473 | L | 89.9 | Confident | 87.7 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 173.5 | -74.5 | 172.7 | 0 | 0 | 0 | 112 | L371 E469 L470 K476 Y477 | L371-L473 HydrophobicContact CD1-CB 4.19Å; L371-L473 HydrophobicContact CD2-CB 3.74Å; L371-L473 HydrophobicContact CD2-CD1 4.33Å; E469-L473 WeakPolarHBondContact O-CG 3.46Å; E469-L473 PolarHBondContact O-N 3.12Å; L470-L473 PolarHBondContact O-N 2.84Å; L473-K476 WeakPolarHBondContact O-CB 3.35Å; L473-K476 PolarHBondContact O-N 2.83Å; L473-Y477 WeakPolarHBondContact O-CD2 3.2Å |
| 474 | Y | 90 | Very high | 87.7 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 176.9 | -174.5 | -82.6 | 0 | 0 | 0 | 111.2 | K367 L384 P387 L470 R471 K476 Y477 W478 L499 | K367-Y474 HydrophobicContact CB-CD2 3.68Å; K367-Y474 HydrophobicContact CB-CE2 3.76Å; K367-Y474 HydrophobicContact CB-CG 4.46Å; K367-Y474 HydrophobicContact CG-CD2 3.97Å; K367-Y474 HydrophobicContact CG-CE2 3.66Å; L384-Y474 HydrophobicContact CB-CE2 4.43Å; L384-Y474 HydrophobicContact CD1-CD2 3.53Å; L384-Y474 HydrophobicContact CD1-CE2 3.64Å; L384-Y474 HydrophobicContact CD1-CG 4.19Å; P387-Y474 PolarHBondContact O-OH 3.13Å; L470-Y474 WeakPolarHBondContact O-CB 3.5Å; L470-Y474 PolarHBondContact O-N 2.86Å; R471-Y474 PolarHBondContact O-N 3.48Å; Y474-K476 VanDerWaalsContact C-N 3.26Å; Y474-K476 PolarHBondContact O-N 3.39Å; Y474-Y477 PolarHBondContact O-N 3.27Å; Y474-Y477 VanDerWaalsContact O-N 3.08Å; Y474-W478 HydrophobicContact CD1-CB 4.45Å; Y474-W478 HydrophobicContact CE1-CB 4.16Å; Y474-W478 HydrophobicContact CE1-CE3 4.36Å; Y474-W478 PolarHBondContact O-N 3.33Å; Y474-W478 VanDerWaalsContact O-N 3.09Å; Y474-L499 HydrophobicContact CD1-CD1 3.73Å; Y474-L499 HydrophobicContact CE1-CD1 3.64Å |
| 475 | R | 88.6 | Confident | 87.3 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.6 | -37.9 | 174.8 | -80.4 | -170.5 | -72.3 | -93.4 | 1 | 113 | R471 A472 Y477 D498 | R471-R475 PolarHBondContact O-N 3.37Å; A472-R475 PolarHBondContact O-N 3.48Å; R475-Y477 PolarHBondContact O-N 2.92Å; R475-D498 VanDerWaalsContact CD-OD1 3.27Å; R475-D498 WeakPolarHBondContact CD-OD1 3.3Å; R475-D498 IonicContact NH1-OD1 2.97Å; R475-D498 PolarHBondContact NH1-OD1 3.32Å; R475-D498 IonicContact NH1-OD2 2.85Å; R475-D498 PolarHBondContact NH1-OD2 2.85Å |
| 476 | K | 89.5 | Confident | 87.1 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.1 | -30.6 | 178.7 | -178.1 | 178.9 | 177.6 | 177.4 | 0 | 112.6 | A472 L473 Y474 | A472-K476 PolarHBondContact O-N 2.67Å; L473-K476 WeakPolarHBondContact O-CB 3.35Å; L473-K476 PolarHBondContact O-N 2.83Å; Y474-K476 VanDerWaalsContact C-N 3.26Å; Y474-K476 PolarHBondContact O-N 3.39Å |
| 477 | Y | 90.8 | Very high | 86.5 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -108.9 | -6.8 | -174.5 | -64.5 | -71.5 | 0 | 0 | 0 | 114.6 | L371 I374 R383 L384 L473 Y474 R475 | L371-Y477 HydrophobicContact CD1-CD2 3.91Å; L371-Y477 HydrophobicContact CD1-CE2 4.37Å; I374-Y477 HydrophobicContact CG2-CD1 3.71Å; I374-Y477 HydrophobicContact CG2-CD2 3.88Å; I374-Y477 HydrophobicContact CG2-CE1 3.88Å; I374-Y477 HydrophobicContact CG2-CE2 4.06Å; I374-Y477 HydrophobicContact CG2-CG 3.72Å; R383-Y477 CarbonylContact C-O 3.46Å; R383-Y477 WeakPolarHBondContact CA-O 3.32Å; R383-Y477 WeakPolarHBondContact CB-O 3.41Å; R383-Y477 VanDerWaalsContact CD-O 3.25Å; R383-Y477 WeakPolarHBondContact CD-O 3.41Å; L384-Y477 PolarHBondContact N-O 3.47Å; L473-Y477 WeakPolarHBondContact O-CD2 3.2Å; Y474-Y477 PolarHBondContact O-N 3.27Å; Y474-Y477 VanDerWaalsContact O-N 3.08Å; R475-Y477 PolarHBondContact O-N 2.92Å |
| 478 | W | 90.3 | Very high | 85.6 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 6% | 0.064 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 158.1 | -177.3 | 82.1 | -20.7 | 0 | 0 | 0 | 112.9 | L384 Y474 H480 S481 V496 L499 L505 | L384-W478 HydrophobicContact CB-CB 4.5Å; L384-W478 CarbonylContact O-C 3.48Å; L384-W478 VanDerWaalsContact O-CA 3.24Å; L384-W478 WeakPolarHBondContact O-CA 3.38Å; Y474-W478 HydrophobicContact CD1-CB 4.45Å; Y474-W478 HydrophobicContact CE1-CB 4.16Å; Y474-W478 HydrophobicContact CE1-CE3 4.36Å; Y474-W478 PolarHBondContact O-N 3.33Å; Y474-W478 VanDerWaalsContact O-N 3.09Å; W478-H480 HydrophobicContact CD2-CB 4.1Å; W478-H480 HydrophobicContact CE3-CB 3.99Å; W478-H480 HydrophobicContact CH2-CB 4.29Å; W478-H480 HydrophobicContact CZ2-CB 4.41Å; W478-H480 HydrophobicContact CZ3-CB 4.09Å; W478-S481 PolarHBondContact NE1-OG 2.96Å; W478-V496 HydrophobicContact CH2-CG1 3.69Å; W478-V496 HydrophobicContact CZ2-CG1 4.41Å; W478-V496 HydrophobicContact CZ3-CG1 4.21Å; W478-L499 HydrophobicContact CE3-CG 4.38Å; W478-L499 HydrophobicContact CZ3-CD2 4.01Å; W478-L499 HydrophobicContact CZ3-CG 3.9Å; W478-L505 HydrophobicContact CH2-CD1 4.43Å; W478-L505 HydrophobicContact CZ3-CD1 3.8Å |
| 479 | L | 88.2 | Confident | 84.7 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -89 | -5.4 | -176.7 | -72.8 | 174.9 | 0 | 0 | 0 | 114.8 | R383 L384 K385 Y391 | R383-L479 HydrophobicContact CB-CD1 4.26Å; R383-L479 HydrophobicContact CB-CD2 3.4Å; R383-L479 HydrophobicContact CB-CG 3.66Å; R383-L479 HydrophobicContact CG-CD2 3.6Å; R383-L479 HydrophobicContact CG-CG 4.39Å; L384-L479 PolarHBondContact O-N 2.88Å; K385-L479 HydrophobicContact CB-CD1 4.17Å; Y391-L479 HydrophobicContact CD1-CD1 4.41Å; Y391-L479 HydrophobicContact CG-CD1 4.04Å |
| 480 | H | 85.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | trans | -104.2 | -1.9 | -155.6 | -59.4 | -62.8 | 0 | 0 | 0 | 116 | K385 W386 W478 G482 Q483 V496 | K385-H480 WeakPolarHBondContact CA-NE2 3.47Å; W386-H480 PolarHBondContact N-CD2 3.49Å; W386-H480 PolarHBondContact N-NE2 3Å; W478-H480 HydrophobicContact CD2-CB 4.1Å; W478-H480 HydrophobicContact CE3-CB 3.99Å; W478-H480 HydrophobicContact CH2-CB 4.29Å; W478-H480 HydrophobicContact CZ2-CB 4.41Å; W478-H480 HydrophobicContact CZ3-CB 4.09Å; H480-G482 PolarHBondContact O-N 2.77Å; H480-G482 VanDerWaalsContact O-N 3.12Å; H480-Q483 PolarHBondContact ND1-OE1 3.46Å; H480-Q483 VanDerWaalsContact O-CB 3.3Å; H480-Q483 WeakPolarHBondContact O-CB 3.35Å; H480-Q483 PolarHBondContact O-N 2.89Å; H480-V496 HydrophobicContact CB-CG1 3.9Å; H480-V496 WeakPolarHBondContact O-CB 3.47Å | ||
| 481 | S | 82.1 | Confident | 83.3 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 62% | 0.622 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 119.8 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | W478 Q483 | W478-S481 PolarHBondContact NE1-OG 2.96Å; S481-Q483 PolarHBondContact O-N 2.75Å |
| 482 | G | 82.2 | Confident | 83 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H480 R484 V496 | H480-G482 PolarHBondContact O-N 2.77Å; H480-G482 VanDerWaalsContact O-N 3.12Å; G482-R484 PolarHBondContact O-N 2.79Å; G482-V496 PolarHBondContact N-O 3.43Å |
| 483 | Q | 86.4 | Confident | 83 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | trans | -68.9 | 126.3 | 177.3 | -177 | 175.4 | -13.6 | 0 | 0 | 109.7 | H480 S481 V485 V496 M528 | H480-Q483 PolarHBondContact ND1-OE1 3.46Å; H480-Q483 VanDerWaalsContact O-CB 3.3Å; H480-Q483 WeakPolarHBondContact O-CB 3.35Å; H480-Q483 PolarHBondContact O-N 2.89Å; S481-Q483 PolarHBondContact O-N 2.75Å; Q483-V485 HydrophobicContact CG-CG2 4.18Å; Q483-V496 HydrophobicContact CB-CB 4.42Å; Q483-V496 HydrophobicContact CB-CG2 4.35Å; Q483-V496 WeakPolarHBondContact O-CG2 3Å; Q483-V496 PolarHBondContact O-N 3.49Å; Q483-M528 HydrophobicContact CG-CE 4.43Å | ||
| 484 | R | 86.4 | Confident | 82.9 | Confident | 178 Ų | 178 | 58 Ų | 58 | 67% | 0.672 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.7 | 172.1 | -61.7 | -178.2 | -173.9 | -158.7 | 3.4 | 110.6 | G482 V494 E510 | G482-R484 PolarHBondContact O-N 2.79Å; R484-V494 CarbonylContact C-O 3.54Å; R484-V494 WeakPolarHBondContact CA-O 3.37Å; R484-E510 WeakPolarHBondContact CD-OE1 3.22Å; R484-E510 IonicContact CZ-OE1 2.88Å; R484-E510 IonicContact NE-OE1 3.38Å; R484-E510 PolarHBondContact NE-OE1 3.4Å; R484-E510 IonicContact NH1-OE1 3.44Å; R484-E510 PolarHBondContact NH1-OE1 2.86Å; R484-E510 IonicContact NH1-OE2 2.67Å |
| 485 | V | 82.3 | Confident | 83 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.4 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 109 | Q483 V494 V496 M528 M531 | Q483-V485 HydrophobicContact CG-CG2 4.18Å; V485-V494 HydrophobicContact CB-CG2 4.1Å; V485-V494 PolarHBondContact N-O 2.78Å; V485-V494 WeakPolarHBondContact O-CG2 3.41Å; V485-V494 PolarHBondContact O-N 3.41Å; V485-V496 HydrophobicContact CG2-CG2 3.99Å; V485-M528 WeakPolarHBondContact CG1-O 3.36Å; V485-M528 HydrophobicContact CG2-CE 3.47Å; V485-M528 VanDerWaalsContact CG2-CE 3.47Å; V485-M531 HydrophobicContact CB-CE 3.99Å; V485-M531 HydrophobicContact CG1-CE 3.62Å; V485-M531 HydrophobicContact CG2-CE 3.98Å |
| 486 | K | 79.7 | Confident | 83.1 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.4 | 167.5 | -89 | -175.8 | 171.1 | -177.3 | 0 | 110.6 | E492 | K486-E492 WeakPolarHBondContact CA-O 3.38Å |
| 487 | M | 75.5 | Confident | 83.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | trans | -69.9 | 132.1 | 172.4 | -67.9 | -61.9 | -61 | 0 | 0 | 109.8 | D489 T490 G491 E492 V494 F516 L518 M531 | M487-D489 WeakPolarHBondContact CE-OD1 3.43Å; M487-T490 VanDerWaalsContact CB-OG1 3.29Å; M487-T490 WeakPolarHBondContact CB-OG1 3.48Å; M487-G491 WeakPolarHBondContact O-CA 3.47Å; M487-G491 PolarHBondContact O-N 2.85Å; M487-E492 HydrophobicContact CB-CB 4.42Å; M487-E492 HydrophobicContact CG-CB 4.44Å; M487-E492 PolarHBondContact N-O 2.91Å; M487-V494 HydrophobicContact CG-CG1 3.68Å; M487-V494 HydrophobicContact CG-CG2 4.08Å; M487-V494 HydrophobicContact SD-CG1 4.28Å; M487-V494 HydrophobicContact SD-CG2 3.98Å; M487-F516 HydrophobicContact CE-CE2 4.19Å; M487-F516 HydrophobicContact SD-CE2 4.14Å; M487-L518 HydrophobicContact CE-CD1 4.47Å; M487-L518 HydrophobicContact CE-CD2 3.45Å; M487-L518 VanDerWaalsContact CE-CD2 3.45Å; M487-L518 HydrophobicContact SD-CD1 3.65Å; M487-L518 HydrophobicContact SD-CD2 3.71Å; M487-L518 HydrophobicContact SD-CG 4.34Å; M487-M531 WeakPolarHBondContact CE-O 3.49Å | ||
| 488 | A | 66.5 | Low | 83 | Confident | 56 Ų | 56 | 52 Ų | 52 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -28.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N530 | A488-N530 HydrophobicContact CB-CB 4.08Å; A488-N530 VanDerWaalsContact CB-OD1 3.29Å; A488-N530 WeakPolarHBondContact CB-OD1 3.26Å |
| 489 | D | 68.6 | Low | 82.8 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -36.2 | -179.6 | 57.7 | -15.7 | 0 | 0 | 0 | 112.8 | M487 | M487-D489 WeakPolarHBondContact CE-OD1 3.43Š|
| 490 | T | 73.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -19 | -177 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | M487 E492 | M487-T490 VanDerWaalsContact CB-OG1 3.29Å; M487-T490 WeakPolarHBondContact CB-OG1 3.48Å; T490-E492 PolarHBondContact O-N 2.75Å; T490-E492 WeakPolarHBondContact OG1-CB 3.13Å; T490-E492 PolarHBondContact OG1-N 3.37Å |
| 491 | G | 76.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | trans | 73.1 | -2.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M487 | M487-G491 WeakPolarHBondContact O-CA 3.47Å; M487-G491 PolarHBondContact O-N 2.85Å | ||
| 492 | E | 81.5 | Confident | 82 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -62.8 | 139.4 | -177.6 | -176.4 | -179.8 | -168.5 | 0 | 0 | 111.1 | K486 M487 T490 V494 S509 E511 | K486-E492 WeakPolarHBondContact CA-O 3.38Å; M487-E492 HydrophobicContact CB-CB 4.42Å; M487-E492 HydrophobicContact CG-CB 4.44Å; M487-E492 PolarHBondContact N-O 2.91Å; T490-E492 PolarHBondContact O-N 2.75Å; T490-E492 WeakPolarHBondContact OG1-CB 3.13Å; T490-E492 PolarHBondContact OG1-N 3.37Å; E492-V494 HydrophobicContact CG-CG1 4.33Å; E492-S509 WeakPolarHBondContact OE1-CB 3.26Å; E492-S509 PolarHBondContact OE1-OG 2.87Å; E492-E511 HydrophobicContact CG-CG 4.48Å | ||
| 493 | S | 88 | Confident | 81.9 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.9 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | E510 | S493-E510 WeakPolarHBondContact O-CB 3.47Å; S493-E510 PolarHBondContact O-N 3.25Å |
| 494 | V | 89.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.6 | -178.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | R484 V485 M487 E492 V507 R508 F516 | R484-V494 CarbonylContact C-O 3.54Å; R484-V494 WeakPolarHBondContact CA-O 3.37Å; V485-V494 HydrophobicContact CB-CG2 4.1Å; V485-V494 PolarHBondContact N-O 2.78Å; V485-V494 WeakPolarHBondContact O-CG2 3.41Å; V485-V494 PolarHBondContact O-N 3.41Å; M487-V494 HydrophobicContact CG-CG1 3.68Å; M487-V494 HydrophobicContact CG-CG2 4.08Å; M487-V494 HydrophobicContact SD-CG1 4.28Å; M487-V494 HydrophobicContact SD-CG2 3.98Å; E492-V494 HydrophobicContact CG-CG1 4.33Å; V494-V507 HydrophobicContact CB-CB 4.07Å; V494-V507 HydrophobicContact CB-CG2 4.09Å; V494-V507 HydrophobicContact CG1-CG2 4.34Å; V494-V507 HydrophobicContact CG2-CB 4.15Å; V494-V507 HydrophobicContact CG2-CG1 4.29Å; V494-V507 HydrophobicContact CG2-CG2 4.21Å; V494-R508 CarbonylContact C-O 3.55Å; V494-R508 VanDerWaalsContact CA-O 3.26Å; V494-R508 WeakPolarHBondContact CA-O 3.44Å; V494-F516 HydrophobicContact CG1-CE1 4.46Å; V494-F516 HydrophobicContact CG1-CE2 4.31Å; V494-F516 HydrophobicContact CG1-CZ 3.64Å |
| 495 | E | 91.4 | Very high | 81.8 | Confident | 61 Ų | 61 | 50 Ų | 50 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132 | 174.3 | -172.5 | -176.1 | -171.2 | 0 | 0 | 110.1 | I497 V507 R508 | E495-I497 HydrophobicContact CB-CD1 4.23Å; E495-I497 HydrophobicContact CG-CD1 3.99Å; E495-I497 PolarHBondContact O-N 2.94Å; E495-V507 CarbonylContact O-C 3.57Å; E495-V507 WeakPolarHBondContact O-CA 3.43Å; E495-V507 WeakPolarHBondContact O-CB 3.5Å; E495-R508 PolarHBondContact N-O 3.29Å; E495-R508 PolarHBondContact O-N 3.03Å |
| 496 | V | 89.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119.8 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | W478 H480 G482 Q483 V485 L505 V507 M528 | W478-V496 HydrophobicContact CH2-CG1 3.69Å; W478-V496 HydrophobicContact CZ2-CG1 4.41Å; W478-V496 HydrophobicContact CZ3-CG1 4.21Å; H480-V496 HydrophobicContact CB-CG1 3.9Å; H480-V496 WeakPolarHBondContact O-CB 3.47Å; G482-V496 PolarHBondContact N-O 3.43Å; Q483-V496 HydrophobicContact CB-CB 4.42Å; Q483-V496 HydrophobicContact CB-CG2 4.35Å; Q483-V496 WeakPolarHBondContact O-CG2 3Å; Q483-V496 PolarHBondContact O-N 3.49Å; V485-V496 HydrophobicContact CG2-CG2 3.99Å; V496-L505 HydrophobicContact CG1-CD1 3.68Å; V496-L505 HydrophobicContact CG1-CD2 4.11Å; V496-L505 HydrophobicContact CG1-CG 3.9Å; V496-L505 HydrophobicContact CG2-CD2 3.69Å; V496-L505 HydrophobicContact CG2-CG 4.32Å; V496-V507 HydrophobicContact CG2-CG1 4.18Å; V496-M528 HydrophobicContact CG2-CE 3.93Å |
| 497 | I | 89.7 | Confident | 82.7 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -54.3 | -175.2 | -56 | -54.2 | 0 | 0 | 0 | 111.6 | E495 L506 R508 M515 | E495-I497 HydrophobicContact CB-CD1 4.23Å; E495-I497 HydrophobicContact CG-CD1 3.99Å; E495-I497 PolarHBondContact O-N 2.94Å; I497-L506 PolarHBondContact N-O 3.47Å; I497-R508 HydrophobicContact CD1-CB 3.96Å; I497-R508 HydrophobicContact CG1-CB 3.75Å; I497-M515 HydrophobicContact CB-CE 3.92Å; I497-M515 HydrophobicContact CG1-CE 3.79Å; I497-M515 HydrophobicContact CG1-SD 4.21Å; I497-M515 HydrophobicContact CG2-CE 4.01Å |
| 498 | D | 88.8 | Confident | 83.5 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | -161.4 | -176.9 | -154.6 | -28.3 | 0 | 0 | 0 | 109.8 | R475 L506 | R475-D498 VanDerWaalsContact CD-OD1 3.27Å; R475-D498 WeakPolarHBondContact CD-OD1 3.3Å; R475-D498 IonicContact NH1-OD1 2.97Å; R475-D498 PolarHBondContact NH1-OD1 3.32Å; R475-D498 IonicContact NH1-OD2 2.85Å; R475-D498 PolarHBondContact NH1-OD2 2.85Å; D498-L506 HydrophobicContact CB-CD2 4.44Å; D498-L506 PolarHBondContact N-O 3.48Å; D498-L506 WeakPolarHBondContact O-CA 3.41Å; D498-L506 WeakPolarHBondContact O-CB 3.44Å; D498-L506 PolarHBondContact O-N 3.44Å |
| 499 | L | 86.6 | Confident | 84.6 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.2 | 163.5 | -61.5 | 170.9 | 0 | 0 | 0 | 109.4 | K367 Y474 W478 Y504 L505 | K367-L499 HydrophobicContact CD-CD1 4.27Å; Y474-L499 HydrophobicContact CD1-CD1 3.73Å; Y474-L499 HydrophobicContact CE1-CD1 3.64Å; W478-L499 HydrophobicContact CE3-CG 4.38Å; W478-L499 HydrophobicContact CZ3-CD2 4.01Å; W478-L499 HydrophobicContact CZ3-CG 3.9Å; L499-Y504 CarbonylContact C-O 3.58Å; L499-Y504 WeakPolarHBondContact CA-O 3.32Å; L499-L505 HydrophobicContact CD2-CD1 3.97Å |
| 500 | D | 84.6 | Confident | 85.7 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | trans | -73 | 177.8 | 171.9 | 78.6 | 6.3 | 0 | 0 | 0 | 112.1 | H502 G503 Y504 S517 | D500-H502 PolarHBondContact O-N 3.02Å; D500-H502 VanDerWaalsContact O-N 3.12Å; D500-H502 VanDerWaalsContact OD1-C 3.28Å; D500-H502 VanDerWaalsContact OD1-CA 3.3Å; D500-H502 WeakPolarHBondContact OD1-CA 3.48Å; D500-H502 WeakPolarHBondContact OD1-CB 3.37Å; D500-H502 PolarHBondContact OD1-N 3.25Å; D500-G503 PolarHBondContact O-N 3.09Å; D500-G503 PolarHBondContact OD1-N 2.86Å; D500-Y504 PolarHBondContact N-O 3.46Å; D500-Y504 PolarHBondContact OD1-N 3.41Å; D500-S517 WeakPolarHBondContact CB-OG 3.22Å; D500-S517 VanDerWaalsContact OD2-CB 3.32Å; D500-S517 WeakPolarHBondContact OD2-CB 3.26Å; D500-S517 PolarHBondContact OD2-OG 3.48Å | ||
| 501 | K | 77.6 | Confident | 86.4 | Confident | 163 Ų | 163 | 49.6 Ų | 49.6 | 71% | 0.709 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.8 | -179.9 | 65.8 | -177.5 | 178.4 | -177.5 | 0 | 113.9 | R471 | R471-K501 PolarHBondContact NH2-O 3.06Š|
| 502 | H | 77.5 | Confident | 87.1 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 47% | 0.468 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.8 | 177.6 | -57.9 | -66.5 | 0 | 0 | 0 | 112.4 | S363 D500 Y504 | S363-H502 WeakPolarHBondContact CB-O 3.5Å; S363-H502 PolarHBondContact OG-O 3.01Å; D500-H502 PolarHBondContact O-N 3.02Å; D500-H502 VanDerWaalsContact O-N 3.12Å; D500-H502 VanDerWaalsContact OD1-C 3.28Å; D500-H502 VanDerWaalsContact OD1-CA 3.3Å; D500-H502 WeakPolarHBondContact OD1-CA 3.48Å; D500-H502 WeakPolarHBondContact OD1-CB 3.37Å; D500-H502 PolarHBondContact OD1-N 3.25Å; H502-Y504 HydrophobicContact CB-CD2 3.64Å; H502-Y504 HydrophobicContact CB-CE2 3.66Å |
| 503 | G | 79.5 | Confident | 87.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 81.8 | 18.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | S363 K367 W386 D500 | S363-G503 WeakPolarHBondContact OG-CA 3.37Å; K367-G503 VanDerWaalsContact CE-CA 3.5Å; K367-G503 WeakPolarHBondContact CE-O 3.44Å; K367-G503 PolarHBondContact NZ-O 2.95Å; W386-G503 PolarHBondContact NE1-O 2.77Å; D500-G503 PolarHBondContact O-N 3.09Å; D500-G503 PolarHBondContact OD1-N 2.86Å |
| 504 | Y | 83.9 | Confident | 87.7 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 159.1 | 166.9 | -62.3 | -57.3 | 0 | 0 | 0 | 110.5 | L499 D500 H502 L506 L518 Q519 | L499-Y504 CarbonylContact C-O 3.58Å; L499-Y504 WeakPolarHBondContact CA-O 3.32Å; D500-Y504 PolarHBondContact N-O 3.46Å; D500-Y504 PolarHBondContact OD1-N 3.41Å; H502-Y504 HydrophobicContact CB-CD2 3.64Å; H502-Y504 HydrophobicContact CB-CE2 3.66Å; Y504-L506 PolarHBondContact O-N 3Å; Y504-L518 WeakPolarHBondContact CB-O 3.41Å; Y504-Q519 HydrophobicContact CD1-CB 4.34Å; Y504-Q519 HydrophobicContact CD1-CG 3.6Å; Y504-Q519 HydrophobicContact CE1-CB 4.43Å; Y504-Q519 HydrophobicContact CE1-CG 3.67Å; Y504-Q519 HydrophobicContact CG-CG 4.06Å; Y504-Q519 PolarHBondContact OH-NE2 3.25Å |
| 505 | L | 86.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117 | -175.7 | -160.2 | 72.7 | 0 | 0 | 0 | 109.8 | W386 W478 V496 L499 V507 S517 L518 M528 M531 | W386-L505 HydrophobicContact CD2-CD1 4.39Å; W386-L505 HydrophobicContact CG-CD1 4.21Å; W386-L505 HydrophobicContact CH2-CB 4.47Å; W386-L505 HydrophobicContact CZ2-CB 4.22Å; W478-L505 HydrophobicContact CH2-CD1 4.43Å; W478-L505 HydrophobicContact CZ3-CD1 3.8Å; V496-L505 HydrophobicContact CG1-CD1 3.68Å; V496-L505 HydrophobicContact CG1-CD2 4.11Å; V496-L505 HydrophobicContact CG1-CG 3.9Å; V496-L505 HydrophobicContact CG2-CD2 3.69Å; V496-L505 HydrophobicContact CG2-CG 4.32Å; L499-L505 HydrophobicContact CD2-CD1 3.97Å; L505-V507 HydrophobicContact CD2-CG1 4.3Å; L505-V507 HydrophobicContact CG-CG1 4.34Å; L505-S517 CarbonylContact O-C 3.59Å; L505-S517 WeakPolarHBondContact O-CA 3.26Å; L505-L518 HydrophobicContact CB-CB 4.24Å; L505-L518 PolarHBondContact N-O 3.31Å; L505-L518 VanDerWaalsContact N-O 3.1Å; L505-L518 PolarHBondContact O-N 3.16Å; L505-M528 HydrophobicContact CD2-CE 4.03Å; L505-M528 HydrophobicContact CD2-SD 4.22Å; L505-M531 HydrophobicContact CD2-CE 3.65Å; L505-M531 HydrophobicContact CD2-SD 3.41Å; L505-M531 WeakPolarHBondContact CD2-SD 2.97Å |
| 506 | L | 89.8 | Confident | 87.5 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.8 | 178.9 | -177.9 | 66.5 | 0 | 0 | 0 | 109 | I497 D498 Y504 M515 | I497-L506 PolarHBondContact N-O 3.47Å; D498-L506 HydrophobicContact CB-CD2 4.44Å; D498-L506 PolarHBondContact N-O 3.48Å; D498-L506 WeakPolarHBondContact O-CA 3.41Å; D498-L506 WeakPolarHBondContact O-CB 3.44Å; D498-L506 PolarHBondContact O-N 3.44Å; Y504-L506 PolarHBondContact O-N 3Å; L506-M515 HydrophobicContact CD1-CB 4.46Å; L506-M515 HydrophobicContact CD1-CE 3.95Å; L506-M515 HydrophobicContact CD2-CE 3.68Å; L506-M515 HydrophobicContact CG-CE 3.52Å |
| 507 | V | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.6 | -177.5 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | V494 E495 V496 L505 M515 F516 L518 | V494-V507 HydrophobicContact CB-CB 4.07Å; V494-V507 HydrophobicContact CB-CG2 4.09Å; V494-V507 HydrophobicContact CG1-CG2 4.34Å; V494-V507 HydrophobicContact CG2-CB 4.15Å; V494-V507 HydrophobicContact CG2-CG1 4.29Å; V494-V507 HydrophobicContact CG2-CG2 4.21Å; E495-V507 CarbonylContact O-C 3.57Å; E495-V507 WeakPolarHBondContact O-CA 3.43Å; E495-V507 WeakPolarHBondContact O-CB 3.5Å; V496-V507 HydrophobicContact CG2-CG1 4.18Å; L505-V507 HydrophobicContact CD2-CG1 4.3Å; L505-V507 HydrophobicContact CG-CG1 4.34Å; V507-M515 VanDerWaalsContact O-CA 3.3Å; V507-M515 WeakPolarHBondContact O-CA 3.39Å; V507-F516 HydrophobicContact CG2-CD1 4.5Å; V507-F516 HydrophobicContact CG2-CD2 3.55Å; V507-F516 HydrophobicContact CG2-CE1 4.36Å; V507-F516 HydrophobicContact CG2-CE2 3.38Å; V507-F516 HydrophobicContact CG2-CG 4.14Å; V507-F516 HydrophobicContact CG2-CZ 3.84Å; V507-F516 WeakPolarHBondContact CG2-O 3.39Å; V507-F516 PolarHBondContact N-O 3.09Å; V507-F516 PolarHBondContact O-N 3.47Å; V507-L518 HydrophobicContact CB-CD1 4.19Å; V507-L518 HydrophobicContact CG1-CD1 3.44Å; V507-L518 VanDerWaalsContact CG1-CD1 3.44Å; V507-L518 HydrophobicContact CG1-CG 4.06Å; V507-L518 HydrophobicContact CG2-CD1 3.69Å; V507-L518 HydrophobicContact CG2-CD2 4.39Å; V507-L518 HydrophobicContact CG2-CG 3.81Å |
| 508 | R | 92.1 | Very high | 87 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 42% | 0.415 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.8 | 172.4 | -169.1 | -178.4 | -61.3 | 163.4 | 3.8 | 110.1 | V494 E495 I497 E510 M515 | V494-R508 CarbonylContact C-O 3.55Å; V494-R508 VanDerWaalsContact CA-O 3.26Å; V494-R508 WeakPolarHBondContact CA-O 3.44Å; E495-R508 PolarHBondContact N-O 3.29Å; E495-R508 PolarHBondContact O-N 3.03Å; I497-R508 HydrophobicContact CD1-CB 3.96Å; I497-R508 HydrophobicContact CG1-CB 3.75Å; R508-E510 PolarHBondContact O-N 3.26Å; R508-M515 HydrophobicContact CB-SD 3.49Å; R508-M515 WeakPolarHBondContact CB-SD 3.17Å; R508-M515 HydrophobicContact CG-SD 3.69Å |
| 509 | S | 91.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127.1 | 167 | 167 | 0 | 0 | 0 | 0 | 111.1 | E492 E511 T512 G513 K514 | E492-S509 WeakPolarHBondContact OE1-CB 3.26Å; E492-S509 PolarHBondContact OE1-OG 2.87Å; S509-E511 VanDerWaalsContact C-N 3.28Å; S509-E511 PolarHBondContact OG-N 3.42Å; S509-T512 WeakPolarHBondContact CB-OG1 3.43Å; S509-T512 PolarHBondContact OG-N 3.4Å; S509-T512 PolarHBondContact OG-OG1 3.01Å; S509-G513 WeakPolarHBondContact O-CA 3.25Å; S509-G513 PolarHBondContact O-N 2.88Å; S509-K514 PolarHBondContact N-O 3.07Å |
| 510 | E | 90.6 | Very high | 85.2 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26.7 | 171.5 | -67.1 | -168.6 | 167.9 | 0 | 0 | 111.7 | R484 S493 R508 | R484-E510 WeakPolarHBondContact CD-OE1 3.22Å; R484-E510 IonicContact CZ-OE1 2.88Å; R484-E510 IonicContact NE-OE1 3.38Å; R484-E510 PolarHBondContact NE-OE1 3.4Å; R484-E510 IonicContact NH1-OE1 3.44Å; R484-E510 PolarHBondContact NH1-OE1 2.86Å; R484-E510 IonicContact NH1-OE2 2.67Å; S493-E510 WeakPolarHBondContact O-CB 3.47Å; S493-E510 PolarHBondContact O-N 3.25Å; R508-E510 PolarHBondContact O-N 3.26Å |
| 511 | E | 89.5 | Confident | 84 | Confident | 147 Ų | 147 | 61.3 Ų | 61.3 | 69% | 0.687 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -42.5 | -176.5 | -63.8 | 179 | -170.4 | 0 | 0 | 112.9 | E492 S509 | E492-E511 HydrophobicContact CG-CG 4.48Å; S509-E511 VanDerWaalsContact C-N 3.28Å; S509-E511 PolarHBondContact OG-N 3.42Å |
| 512 | T | 90.2 | Very high | 82.7 | Confident | 84 Ų | 84 | 57 Ų | 57 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -13.1 | -172.3 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | S509 K514 | S509-T512 WeakPolarHBondContact CB-OG1 3.43Å; S509-T512 PolarHBondContact OG-N 3.4Å; S509-T512 PolarHBondContact OG-OG1 3.01Å; T512-K514 PolarHBondContact O-N 2.77Å; T512-K514 VanDerWaalsContact O-N 3.11Å; T512-K514 WeakPolarHBondContact OG1-CB 3.23Å; T512-K514 PolarHBondContact OG1-N 3.28Å |
| 513 | G | 89.9 | Confident | 81.3 | Confident | 43 Ų | 43 | 53 Ų | 53 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | trans | 68.5 | -0.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S509 | S509-G513 WeakPolarHBondContact O-CA 3.25Å; S509-G513 PolarHBondContact O-N 2.88Å | ||
| 514 | K | 91.3 | Very high | 79.9 | Confident | 141 Ų | 141 | 56 Ų | 56 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | trans | -69.1 | 141.2 | -179.1 | -69.3 | -177.3 | -179.7 | 177 | 0 | 111 | S509 T512 | S509-K514 PolarHBondContact N-O 3.07Å; T512-K514 PolarHBondContact O-N 2.77Å; T512-K514 VanDerWaalsContact O-N 3.11Å; T512-K514 WeakPolarHBondContact OG1-CB 3.23Å; T512-K514 PolarHBondContact OG1-N 3.28Å | ||
| 515 | M | 90.3 | Very high | 78 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 38% | 0.384 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.2 | 176.4 | -62.5 | -66.4 | -65.9 | 0 | 0 | 110.5 | I497 L506 V507 R508 | I497-M515 HydrophobicContact CB-CE 3.92Å; I497-M515 HydrophobicContact CG1-CE 3.79Å; I497-M515 HydrophobicContact CG1-SD 4.21Å; I497-M515 HydrophobicContact CG2-CE 4.01Å; L506-M515 HydrophobicContact CD1-CB 4.46Å; L506-M515 HydrophobicContact CD1-CE 3.95Å; L506-M515 HydrophobicContact CD2-CE 3.68Å; L506-M515 HydrophobicContact CG-CE 3.52Å; V507-M515 VanDerWaalsContact O-CA 3.3Å; V507-M515 WeakPolarHBondContact O-CA 3.39Å; R508-M515 HydrophobicContact CB-SD 3.49Å; R508-M515 WeakPolarHBondContact CB-SD 3.17Å; R508-M515 HydrophobicContact CG-SD 3.69Å |
| 516 | F | 87.6 | Confident | 76.3 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 160.5 | 172.2 | 49.7 | -88.3 | 0 | 0 | 0 | 112.1 | M487 V494 V507 L518 R533 | M487-F516 HydrophobicContact CE-CE2 4.19Å; M487-F516 HydrophobicContact SD-CE2 4.14Å; V494-F516 HydrophobicContact CG1-CE1 4.46Å; V494-F516 HydrophobicContact CG1-CE2 4.31Å; V494-F516 HydrophobicContact CG1-CZ 3.64Å; V507-F516 HydrophobicContact CG2-CD1 4.5Å; V507-F516 HydrophobicContact CG2-CD2 3.55Å; V507-F516 HydrophobicContact CG2-CE1 4.36Å; V507-F516 HydrophobicContact CG2-CE2 3.38Å; V507-F516 HydrophobicContact CG2-CG 4.14Å; V507-F516 HydrophobicContact CG2-CZ 3.84Å; V507-F516 WeakPolarHBondContact CG2-O 3.39Å; V507-F516 PolarHBondContact N-O 3.09Å; V507-F516 PolarHBondContact O-N 3.47Å; F516-L518 HydrophobicContact CD2-CD2 3.76Å; F516-L518 HydrophobicContact CD2-CG 4.36Å; F516-L518 HydrophobicContact CE2-CD2 3.75Å; F516-L518 HydrophobicContact CE2-CG 4.42Å; F516-R533 HydrophobicContact CB-CG 4.41Å; F516-R533 HydrophobicContact CD2-CG 4Å; F516-R533 HydrophobicContact CG-CG 4.43Å |
| 517 | S | 87.2 | Confident | 74.6 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.9 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | D500 L505 S534 | D500-S517 WeakPolarHBondContact CB-OG 3.22Å; D500-S517 VanDerWaalsContact OD2-CB 3.32Å; D500-S517 WeakPolarHBondContact OD2-CB 3.26Å; D500-S517 PolarHBondContact OD2-OG 3.48Å; L505-S517 CarbonylContact O-C 3.59Å; L505-S517 WeakPolarHBondContact O-CA 3.26Å; S517-S534 PolarHBondContact O-N 3.25Å; S517-S534 PolarHBondContact O-OG 2.93Å |
| 518 | L | 80.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.5 | 178 | -60.9 | -178.4 | 0 | 0 | 0 | 111.4 | M487 Y504 L505 V507 F516 M531 | M487-L518 HydrophobicContact CE-CD1 4.47Å; M487-L518 HydrophobicContact CE-CD2 3.45Å; M487-L518 VanDerWaalsContact CE-CD2 3.45Å; M487-L518 HydrophobicContact SD-CD1 3.65Å; M487-L518 HydrophobicContact SD-CD2 3.71Å; M487-L518 HydrophobicContact SD-CG 4.34Å; Y504-L518 WeakPolarHBondContact CB-O 3.41Å; L505-L518 HydrophobicContact CB-CB 4.24Å; L505-L518 PolarHBondContact N-O 3.31Å; L505-L518 VanDerWaalsContact N-O 3.1Å; L505-L518 PolarHBondContact O-N 3.16Å; V507-L518 HydrophobicContact CB-CD1 4.19Å; V507-L518 HydrophobicContact CG1-CD1 3.44Å; V507-L518 VanDerWaalsContact CG1-CD1 3.44Å; V507-L518 HydrophobicContact CG1-CG 4.06Å; V507-L518 HydrophobicContact CG2-CD1 3.69Å; V507-L518 HydrophobicContact CG2-CD2 4.39Å; V507-L518 HydrophobicContact CG2-CG 3.81Å; F516-L518 HydrophobicContact CD2-CD2 3.76Å; F516-L518 HydrophobicContact CD2-CG 4.36Å; F516-L518 HydrophobicContact CE2-CD2 3.75Å; F516-L518 HydrophobicContact CE2-CG 4.42Å; L518-M531 HydrophobicContact CB-CB 4.11Å; L518-M531 HydrophobicContact CB-SD 3.91Å; L518-M531 HydrophobicContact CD1-CB 3.68Å; L518-M531 HydrophobicContact CD1-CE 3.3Å; L518-M531 HydrophobicContact CD1-CG 4.23Å; L518-M531 HydrophobicContact CD1-SD 3.51Å; L518-M531 VanDerWaalsContact CD1-SD 3.51Å; L518-M531 HydrophobicContact CD2-CB 4.4Å; L518-M531 HydrophobicContact CG-CB 4.29Å; L518-M531 HydrophobicContact CG-SD 4.36Å |
| 519 | Q | 72.7 | Confident | 70.6 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 149.3 | 173.6 | -56.4 | -168.1 | -11.1 | 0 | 0 | 109.2 | Y504 D521 I532 | Y504-Q519 HydrophobicContact CD1-CB 4.34Å; Y504-Q519 HydrophobicContact CD1-CG 3.6Å; Y504-Q519 HydrophobicContact CE1-CB 4.43Å; Y504-Q519 HydrophobicContact CE1-CG 3.67Å; Y504-Q519 HydrophobicContact CG-CG 4.06Å; Y504-Q519 PolarHBondContact OH-NE2 3.25Å; Q519-D521 PolarHBondContact O-N 3.43Å; Q519-I532 PolarHBondContact N-O 3.38Å; Q519-I532 VanDerWaalsContact N-O 3.08Å; Q519-I532 PolarHBondContact O-N 3.21Å |
| 520 | P | 66.3 | Low | 68.8 | Low | 49 Ų | 49 | 56 Ų | 56 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | trans | -66.3 | 131.1 | 172.6 | 25.9 | -24.5 | 0 | 0 | 0 | 107.2 | W386 G522 | W386-P520 HydrophobicContact CH2-CB 3.82Å; W386-P520 HydrophobicContact CH2-CG 3.84Å; W386-P520 HydrophobicContact CZ2-CG 4.24Å; W386-P520 HydrophobicContact CZ3-CB 4.16Å; P520-G522 PolarHBondContact O-N 2.86Å; P520-G522 VanDerWaalsContact O-N 3.11Å | ||
| 521 | D | 58.3 | Low | 67 | Low | 55 Ų | 55 | 51.8 Ų | 51.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -69.5 | 0.3 | 177.4 | 66.9 | -20.8 | 0 | 0 | 0 | 113.4 | Q519 N523 N530 I532 | Q519-D521 PolarHBondContact O-N 3.43Å; D521-N523 VanDerWaalsContact C-N 3.3Å; D521-N523 WeakPolarHBondContact OD1-CB 3.18Å; D521-N523 PolarHBondContact OD1-N 3.25Å; D521-N523 WeakPolarHBondContact OD2-CB 3.17Å; D521-N523 PolarHBondContact OD2-ND2 2.97Å; D521-N530 VanDerWaalsContact CB-O 3.22Å; D521-N530 WeakPolarHBondContact CB-O 3.43Å; D521-N530 WeakPolarHBondContact OD2-CB 3.44Å; D521-N530 VanDerWaalsContact OD2-O 3.13Å; D521-I532 HydrophobicContact CB-CD1 3.47Å; D521-I532 VanDerWaalsContact CB-CD1 3.47Å; D521-I532 HydrophobicContact CB-CG1 3.86Å | ||
| 522 | G | 51.6 | Low | 65.4 | Low | 71 Ų | 71 | 49 Ų | 49 | 73% | 0.732 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 82.1 | 5.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P520 | P520-G522 PolarHBondContact O-N 2.86Å; P520-G522 VanDerWaalsContact O-N 3.11Å |
| 523 | N | 47.3 | Very low | 63.9 | Low | 18 Ų | 18 | 51.6 Ų | 51.6 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | trans | -84 | 125.7 | -175.7 | -156.2 | -0.8 | 0 | 0 | 0 | 110.8 | K58 D521 M527 N530 | K58-N523 WeakPolarHBondContact CD-ND2 3.2Å; K58-N523 WeakPolarHBondContact CE-ND2 3.21Å; D521-N523 VanDerWaalsContact C-N 3.3Å; D521-N523 WeakPolarHBondContact OD1-CB 3.18Å; D521-N523 PolarHBondContact OD1-N 3.25Å; D521-N523 WeakPolarHBondContact OD2-CB 3.17Å; D521-N523 PolarHBondContact OD2-ND2 2.97Å; N523-M527 WeakPolarHBondContact O-CG 3.32Å; N523-N530 PolarHBondContact ND2-ND2 2.76Å | ||
| 524 | S | 50.2 | Low | 62.1 | Low | 69 Ų | 69 | 51 Ų | 51 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -86 | -15.1 | -163.9 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | H48 | H48-S524 PolarHBondContact CE1-OG 3.49Å; H48-S524 PolarHBondContact ND1-OG 3.29Å |
| 525 | F | 43.9 | Very low | 60 | Low | 26 Ų | 26 | 54 Ų | 54 | 11% | 0.114 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.2 | -61.4 | -174.9 | -67.7 | -75.5 | 0 | 0 | 0 | 112.5 | N16 I18 H48 L50 | N16-F525 HydrophobicContact CB-CE1 4.43Å; N16-F525 WeakPolarHBondContact ND2-CD1 3.5Å; I18-F525 HydrophobicContact CD1-CD1 4.46Å; I18-F525 HydrophobicContact CD1-CE1 3.33Å; I18-F525 HydrophobicContact CD1-CZ 3.61Å; H48-F525 HydrophobicContact CB-CE1 3.53Å; H48-F525 HydrophobicContact CB-CE2 4.09Å; H48-F525 HydrophobicContact CB-CZ 3.16Å; H48-F525 AromaticContact CD2-CE1 3.59Å; H48-F525 AromaticContact CG-CE1 3.45Å; H48-F525 VanDerWaalsContact CG-CE1 3.45Å; H48-F525 AromaticContact CG-CZ 3.51Å; H48-F525 AromaticContact ND1-CZ 3.97Å; L50-F525 HydrophobicContact CD1-CE2 4.21Å |
| 526 | D | 52 | Low | 57.4 | Low | 42 Ų | 42 | 60.1 Ų | 60.1 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | trans | -150 | 103.4 | 170.3 | -170 | 16.6 | 0 | 0 | 0 | 110.8 | K385 M528 H529 | K385-D526 IonicContact NZ-OD1 3.38Å; K385-D526 PolarHBondContact NZ-OD1 3.04Å; D526-M528 PolarHBondContact O-N 3.38Å; D526-H529 PolarHBondContact O-N 3.43Å; D526-H529 IonicContact OD2-CE1 2.8Å; D526-H529 PolarHBondContact OD2-CE1 3.48Å; D526-H529 IonicContact OD2-CG 3.44Å; D526-H529 IonicContact OD2-ND1 2.6Å; D526-H529 PolarHBondContact OD2-ND1 3.07Å | ||
| 527 | M | 53.2 | Low | 55.9 | Low | 36 Ų | 36 | 62.2 Ų | 62.2 | 18% | 0.177 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.2 | -174.9 | -68.8 | 176.1 | -75.8 | 0 | 0 | 113.8 | P387 N523 M531 | P387-M527 VanDerWaalsContact CD-CE 3.48Å; P387-M527 WeakPolarHBondContact CD-SD 3.36Å; P387-M527 HydrophobicContact CG-CE 4.42Å; P387-M527 HydrophobicContact CG-SD 3.98Å; N523-M527 WeakPolarHBondContact O-CG 3.32Å; M527-M531 VanDerWaalsContact O-CG 3.29Å; M527-M531 WeakPolarHBondContact O-CG 3.41Å |
| 528 | M | 52.6 | Low | 54.3 | Low | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -27.2 | 177.1 | -64.9 | -61.3 | -74.5 | 0 | 0 | 112.7 | Q483 V485 V496 L505 D526 N530 M531 | Q483-M528 HydrophobicContact CG-CE 4.43Å; V485-M528 WeakPolarHBondContact CG1-O 3.36Å; V485-M528 HydrophobicContact CG2-CE 3.47Å; V485-M528 VanDerWaalsContact CG2-CE 3.47Å; V496-M528 HydrophobicContact CG2-CE 3.93Å; L505-M528 HydrophobicContact CD2-CE 4.03Å; L505-M528 HydrophobicContact CD2-SD 4.22Å; D526-M528 PolarHBondContact O-N 3.38Å; M528-N530 PolarHBondContact O-N 3.34Å; M528-M531 HydrophobicContact CE-CE 4.12Å; M528-M531 HydrophobicContact SD-CE 4.38Å; M528-M531 HydrophobicContact SD-SD 4.31Å |
| 529 | H | 46.8 | Very low | 52.8 | Low | 104 Ų | 104 | 68.1 Ų | 68.1 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.1 | -173.7 | -87.4 | 83.3 | 0 | 0 | 0 | 114.1 | P59 D526 | P59-H529 HydrophobicContact CG-CB 3.7Å; D526-H529 PolarHBondContact O-N 3.43Å; D526-H529 IonicContact OD2-CE1 2.8Å; D526-H529 PolarHBondContact OD2-CE1 3.48Å; D526-H529 IonicContact OD2-CG 3.44Å; D526-H529 IonicContact OD2-ND1 2.6Å; D526-H529 PolarHBondContact OD2-ND1 3.07Å |
| 530 | N | 52.1 | Low | 51.6 | Low | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.08 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 42.2 | -173.8 | -63.7 | -48 | 0 | 0 | 0 | 113.4 | A488 D521 N523 M528 | A488-N530 HydrophobicContact CB-CB 4.08Å; A488-N530 VanDerWaalsContact CB-OD1 3.29Å; A488-N530 WeakPolarHBondContact CB-OD1 3.26Å; D521-N530 VanDerWaalsContact CB-O 3.22Å; D521-N530 WeakPolarHBondContact CB-O 3.43Å; D521-N530 WeakPolarHBondContact OD2-CB 3.44Å; D521-N530 VanDerWaalsContact OD2-O 3.13Å; N523-N530 PolarHBondContact ND2-ND2 2.76Å; M528-N530 PolarHBondContact O-N 3.34Å |
| 531 | M | 54 | Low | 50.7 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -70.3 | 138.3 | 179.3 | -65.9 | -162 | -77.7 | 0 | 0 | 112 | W386 V485 M487 L505 L518 M527 M528 | W386-M531 HydrophobicContact CZ3-SD 4.32Å; V485-M531 HydrophobicContact CB-CE 3.99Å; V485-M531 HydrophobicContact CG1-CE 3.62Å; V485-M531 HydrophobicContact CG2-CE 3.98Å; M487-M531 WeakPolarHBondContact CE-O 3.49Å; L505-M531 HydrophobicContact CD2-CE 3.65Å; L505-M531 HydrophobicContact CD2-SD 3.41Å; L505-M531 WeakPolarHBondContact CD2-SD 2.97Å; L518-M531 HydrophobicContact CB-CB 4.11Å; L518-M531 HydrophobicContact CB-SD 3.91Å; L518-M531 HydrophobicContact CD1-CB 3.68Å; L518-M531 HydrophobicContact CD1-CE 3.3Å; L518-M531 HydrophobicContact CD1-CG 4.23Å; L518-M531 HydrophobicContact CD1-SD 3.51Å; L518-M531 VanDerWaalsContact CD1-SD 3.51Å; L518-M531 HydrophobicContact CD2-CB 4.4Å; L518-M531 HydrophobicContact CG-CB 4.29Å; L518-M531 HydrophobicContact CG-SD 4.36Å; M527-M531 VanDerWaalsContact O-CG 3.29Å; M527-M531 WeakPolarHBondContact O-CG 3.41Å; M528-M531 HydrophobicContact CE-CE 4.12Å; M528-M531 HydrophobicContact SD-CE 4.38Å; M528-M531 HydrophobicContact SD-SD 4.31Å | ||
| 532 | I | 54.6 | Low | 50.2 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 45% | 0.451 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.9 | 177.6 | -58 | 168.2 | 0 | 0 | 0 | 109.1 | Q519 D521 S534 | Q519-I532 PolarHBondContact N-O 3.38Å; Q519-I532 VanDerWaalsContact N-O 3.08Å; Q519-I532 PolarHBondContact O-N 3.21Å; D521-I532 HydrophobicContact CB-CD1 3.47Å; D521-I532 VanDerWaalsContact CB-CD1 3.47Å; D521-I532 HydrophobicContact CB-CG1 3.86Å; I532-S534 PolarHBondContact O-N 3.22Å |
| 533 | R | 58.3 | Low | 50.1 | Low | 139 Ų | 139 | 70.1 Ų | 70.1 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 131.6 | 175 | -164.4 | 173 | -176.8 | 178.2 | 2.4 | 111 | F516 K535 | F516-R533 HydrophobicContact CB-CG 4.41Å; F516-R533 HydrophobicContact CD2-CG 4Å; F516-R533 HydrophobicContact CG-CG 4.43Å; R533-K535 PolarHBondContact O-N 3.3Å |
| 534 | S | 53.3 | Low | 50.3 | Low | 29 Ų | 29 | 74.1 Ų | 74.1 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 129.6 | 175.2 | 70.2 | 0 | 0 | 0 | 0 | 110 | S517 I532 T536 | S517-S534 PolarHBondContact O-N 3.25Å; S517-S534 PolarHBondContact O-OG 2.93Å; I532-S534 PolarHBondContact O-N 3.22Å; S534-T536 PolarHBondContact O-N 3.13Å |
| 535 | K | 47.1 | Very low | 50.4 | Low | 204 Ų | 204 | 74.5 Ų | 74.5 | 89% | 0.887 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 121 | 166.7 | -69.3 | -175.6 | -179.8 | 179.5 | 0 | 108 | R533 | R533-K535 PolarHBondContact O-N 3.3Š|
| 536 | T | 36.4 | Very low | 51 | Low | 208 Ų | 208 | 78.9 Ų | 78.9 | 100% | 1.276 | 39% | 0.393 | S | S | * | . | trans | -61.7 | 0 | 173.1 | 39.1 | 0 | 0 | 0 | 0 | 112.1 | S534 | S534-T536 PolarHBondContact O-N 3.13Š|
Retrieved 536 of 536 residues in 1973 ms
(Link to these results)