| 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 | 35.8 | Very low | 41.8 | Very low | 248 Ų | 248 | 136.8 Ų | 136.8 | 100% | 1.222 | 74% | 0.742 | S | S | * | * | 0 | 129.2 | 0 | -71.9 | 172.2 | -162.2 | 0 | 0 | 107.1 | |||||
| 2 | S | 35.7 | Very low | 42.9 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -72.6 | 138.5 | -161.9 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | K4 | S2-K4 PolarHBondContact O-N 3.18Š| ||
| 3 | T | 36.7 | Very low | 44.2 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 95% | 0.951 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -65.7 | 41.4 | 170.6 | 31.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 4 | K | 37.5 | Very low | 45.4 | Very low | 185 Ų | 185 | 121 Ų | 121 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -123.6 | 16.1 | -176.6 | -85.5 | -165.1 | 175.2 | -173.3 | 0 | 114.8 | S2 A6 | S2-K4 PolarHBondContact O-N 3.18Å; K4-A6 PolarHBondContact O-N 3.05Å | ||
| 5 | E | 37.1 | Very low | 47.8 | Very low | 190 Ų | 190 | 122.5 Ų | 122.5 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | trans | -85.4 | 76.8 | 157.4 | -72 | 176.2 | 168.8 | 0 | 0 | 107.2 | M7 | E5-M7 PolarHBondContact O-N 2.99Š| ||
| 6 | A | 40.1 | Very low | 50.7 | Low | 74 Ų | 74 | 115 Ų | 115 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | trans | -56 | 123.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | K4 A8 | K4-A6 PolarHBondContact O-N 3.05Å; A6-A8 PolarHBondContact O-N 3.34Å | ||
| 7 | M | 47.9 | Very low | 53.5 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 43% | 0.429 | 61% | 0.605 | S | S | . | * | trans | -42.1 | 99.1 | -174 | -69.1 | 158.3 | 60.3 | 0 | 0 | 110.7 | E5 Y9 W229 K232 | E5-M7 PolarHBondContact O-N 2.99Å; M7-Y9 PolarHBondContact O-N 3.21Å; M7-W229 HydrophobicContact CE-CE3 4.16Å; M7-W229 HydrophobicContact CE-CH2 3.53Å; M7-W229 HydrophobicContact CE-CZ3 3.27Å; M7-W229 HydrophobicContact SD-CH2 3.44Å; M7-W229 WeakPolarHBondContact SD-CH2 3.38Å; M7-W229 HydrophobicContact SD-CZ3 3.53Å; M7-W229 VanDerWaalsContact SD-CZ3 3.53Å; M7-K232 HydrophobicContact CE-CD 3.47Å; M7-K232 VanDerWaalsContact CE-CD 3.47Å | ||
| 8 | A | 43.3 | Very low | 55.9 | Low | 82 Ų | 82 | 105.2 Ų | 105.2 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | trans | -61.9 | 123.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | A6 T10 | A6-A8 PolarHBondContact O-N 3.34Å; A8-T10 PolarHBondContact O-N 3.41Å; A8-T10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | Y | 47.1 | Very low | 58.2 | Low | 161 Ų | 161 | 99.7 Ų | 99.7 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | trans | -44.9 | 119.5 | 166.8 | -94.2 | -95.4 | 0 | 0 | 0 | 108 | M7 D13 | M7-Y9 PolarHBondContact O-N 3.21Å; Y9-D13 HydrophobicContact CD1-CB 4.27Å | ||
| 10 | T | 50.6 | Low | 60.2 | Low | 77 Ų | 77 | 94.7 Ų | 94.7 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | trans | -92.1 | 147.4 | 171.4 | 61.6 | 0 | 0 | 0 | 0 | 107.7 | A8 N12 D13 | A8-T10 PolarHBondContact O-N 3.41Å; A8-T10 VanDerWaalsContact O-N 3.1Å; T10-N12 PolarHBondContact O-N 3.07Å; T10-D13 PolarHBondContact N-OD2 3Å; T10-D13 VanDerWaalsContact N-OD2 3.08Å; T10-D13 WeakPolarHBondContact O-CB 3.49Å; T10-D13 PolarHBondContact O-N 3.25Å; T10-D13 PolarHBondContact OG1-OD2 3.48Å | ||
| 11 | D | 47.9 | Very low | 62 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 79% | 0.786 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -20.1 | 175.8 | -88.1 | -24.6 | 0 | 0 | 0 | 113 | D13 A14 | D11-D13 VanDerWaalsContact C-N 3.27Å; D11-D13 PolarHBondContact O-N 3.13Å; D11-A14 PolarHBondContact O-N 3.32Å |
| 12 | N | 55.3 | Low | 65 | Low | 105 Ų | 105 | 78.5 Ų | 78.5 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.2 | 173.3 | -78.5 | -10.1 | 0 | 0 | 0 | 113.6 | T10 A14 | T10-N12 PolarHBondContact O-N 3.07Å; N12-A14 VanDerWaalsContact C-N 3.32Å; N12-A14 PolarHBondContact O-N 2.75Å |
| 13 | D | 59.5 | Low | 67.9 | Low | 6 Ų | 6 | 74.4 Ų | 74.4 | 3% | 0.032 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -69.8 | -30.7 | -177.5 | -63.9 | -53.3 | 0 | 0 | 0 | 111.4 | Y9 T10 D11 H15 A16 H231 K232 | Y9-D13 HydrophobicContact CD1-CB 4.27Å; T10-D13 PolarHBondContact N-OD2 3Å; T10-D13 VanDerWaalsContact N-OD2 3.08Å; T10-D13 WeakPolarHBondContact O-CB 3.49Å; T10-D13 PolarHBondContact O-N 3.25Å; T10-D13 PolarHBondContact OG1-OD2 3.48Å; D11-D13 VanDerWaalsContact C-N 3.27Å; D11-D13 PolarHBondContact O-N 3.13Å; D13-H15 PolarHBondContact O-N 3.13Å; D13-H15 VanDerWaalsContact O-N 3.1Å; D13-A16 WeakPolarHBondContact O-CB 3.45Å; D13-A16 PolarHBondContact O-N 2.88Å; D13-A16 VanDerWaalsContact O-N 3.15Å; D13-H231 IonicContact OD1-CD2 3.59Å; D13-H231 IonicContact OD1-NE2 2.88Å; D13-K232 WeakPolarHBondContact OD1-CE 3.21Å |
| 14 | A | 60.7 | Low | 70.8 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D11 N12 | D11-A14 PolarHBondContact O-N 3.32Å; N12-A14 VanDerWaalsContact C-N 3.32Å; N12-A14 PolarHBondContact O-N 2.75Å |
| 15 | H | 82.3 | Confident | 73.6 | Confident | 144 Ų | 144 | 60.2 Ų | 60.2 | 67% | 0.667 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -106.6 | 1.3 | 179.1 | -63 | -60.8 | 0 | 0 | 0 | 113.3 | D13 R17 T89 | D13-H15 PolarHBondContact O-N 3.13Å; D13-H15 VanDerWaalsContact O-N 3.1Å; H15-R17 PolarHBondContact O-N 3.46Å; H15-T89 WeakPolarHBondContact O-CG2 3.29Å |
| 16 | A | 94.5 | Very high | 76.5 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | trans | -80.2 | 93.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | D13 F44 E45 | D13-A16 WeakPolarHBondContact O-CB 3.45Å; D13-A16 PolarHBondContact O-N 2.88Å; D13-A16 VanDerWaalsContact O-N 3.15Å; A16-F44 HydrophobicContact CB-CD1 3.45Å; A16-F44 VanDerWaalsContact CB-CD1 3.45Å; A16-F44 HydrophobicContact CB-CD2 4.42Å; A16-F44 HydrophobicContact CB-CE1 3.48Å; A16-F44 VanDerWaalsContact CB-CE1 3.48Å; A16-F44 HydrophobicContact CB-CE2 4.39Å; A16-F44 HydrophobicContact CB-CG 3.97Å; A16-F44 HydrophobicContact CB-CZ 3.95Å; A16-F44 WeakPolarHBondContact O-CA 3.47Å; A16-E45 PolarHBondContact O-N 3.38Å | ||
| 17 | R | 96.8 | Very high | 79 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.4 | 174.4 | -156.8 | -177.1 | -178.8 | 86.1 | 7.2 | 112.4 | H15 E45 D47 D87 Y88 T89 H90 | H15-R17 PolarHBondContact O-N 3.46Å; R17-E45 CarbonylContact C-O 3.53Å; R17-E45 WeakPolarHBondContact CA-O 3.2Å; R17-E45 HydrophobicContact CG-CB 4.1Å; R17-D47 IonicContact CZ-OD2 3.2Å; R17-D47 IonicContact NE-OD2 3.83Å; R17-D47 PolarHBondContact NE-OD2 3.42Å; R17-D47 VanDerWaalsContact NH2-CG 3.33Å; R17-D47 IonicContact NH2-OD1 2.71Å; R17-D47 PolarHBondContact NH2-OD1 2.92Å; R17-D47 IonicContact NH2-OD2 3.59Å; R17-D47 PolarHBondContact NH2-OD2 3.08Å; R17-D87 VanDerWaalsContact CD-OD1 3.25Å; R17-D87 WeakPolarHBondContact CD-OD1 3.33Å; R17-D87 IonicContact NE-OD1 3.48Å; R17-Y88 HydrophobicContact CB-CD1 4.33Å; R17-Y88 HydrophobicContact CG-CD1 3.81Å; R17-Y88 HydrophobicContact CG-CE1 3.98Å; R17-T89 PolarHBondContact N-OG1 2.94Å; R17-T89 PolarHBondContact O-N 3.35Å; R17-T89 PolarHBondContact O-OG1 3.23Å; R17-H90 PolarHBondContact O-N 3.17Å |
| 18 | V | 98.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.3 | -178 | -168 | 0 | 0 | 0 | 0 | 110.6 | M39 F44 E45 V46 D47 H90 L92 L227 | V18-M39 HydrophobicContact CG1-SD 4.25Å; V18-M39 HydrophobicContact CG2-SD 4.21Å; V18-F44 HydrophobicContact CG2-CB 4.25Å; V18-F44 HydrophobicContact CG2-CD1 3.5Å; V18-F44 VanDerWaalsContact CG2-CD1 3.5Å; V18-F44 HydrophobicContact CG2-CE1 4.32Å; V18-F44 HydrophobicContact CG2-CG 4.31Å; V18-E45 PolarHBondContact N-O 2.91Å; V18-V46 HydrophobicContact CB-CG1 4.4Å; V18-V46 HydrophobicContact CB-CG2 4.36Å; V18-V46 HydrophobicContact CG2-CG2 4.38Å; V18-D47 PolarHBondContact O-N 3.35Å; V18-H90 WeakPolarHBondContact CA-O 3.2Å; V18-H90 HydrophobicContact CG1-CB 4.27Å; V18-H90 HydrophobicContact CG2-CB 4.14Å; V18-L92 HydrophobicContact CG1-CB 4.37Å; V18-L227 HydrophobicContact CG1-CD1 4.07Å; V18-L227 HydrophobicContact CG2-CD2 4.17Å |
| 19 | L | 98.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.3 | 159.3 | -178.3 | 61.7 | 0 | 0 | 0 | 109.5 | I21 D47 I49 Y88 H90 C91 L92 I108 L112 | L19-I21 HydrophobicContact CD2-CD1 4.09Å; L19-I21 HydrophobicContact CD2-CG1 4.35Å; L19-I21 HydrophobicContact CG-CD1 4.36Å; L19-I21 HydrophobicContact CG-CG1 4.06Å; L19-D47 HydrophobicContact CD1-CB 4.3Å; L19-I49 HydrophobicContact CD1-CD1 4.13Å; L19-I49 HydrophobicContact CD1-CG1 4.17Å; L19-Y88 HydrophobicContact CB-CD1 3.8Å; L19-Y88 HydrophobicContact CB-CD2 3.86Å; L19-Y88 HydrophobicContact CB-CE1 3.83Å; L19-Y88 HydrophobicContact CB-CE2 3.86Å; L19-Y88 HydrophobicContact CB-CG 3.83Å; L19-Y88 HydrophobicContact CD1-CE1 4.49Å; L19-Y88 HydrophobicContact CD1-CE2 4.22Å; L19-Y88 HydrophobicContact CD2-CD2 4.27Å; L19-Y88 HydrophobicContact CD2-CE2 3.99Å; L19-Y88 HydrophobicContact CG-CE2 4.24Å; L19-H90 PolarHBondContact N-O 3.08Å; L19-C91 WeakPolarHBondContact O-CA 3.35Å; L19-L92 PolarHBondContact O-N 3.25Å; L19-I108 HydrophobicContact CD2-CG2 4.11Å; L19-L112 HydrophobicContact CD2-CD1 3.75Å |
| 20 | S | 98.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | Q22 N32 D47 T48 I49 L92 | S20-Q22 PolarHBondContact OG-NE2 3.43Å; S20-N32 WeakPolarHBondContact CB-OD1 3.46Å; S20-N32 PolarHBondContact O-ND2 2.8Å; S20-N32 PolarHBondContact OG-OD1 3.47Å; S20-D47 PolarHBondContact N-O 3.43Å; S20-T48 WeakPolarHBondContact O-CA 3.37Å; S20-I49 PolarHBondContact O-N 2.97Å; S20-L92 CarbonylContact C-O 3.55Å; S20-L92 WeakPolarHBondContact CA-O 3.29Å |
| 21 | I | 98.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 94.8 | 179.8 | -45.8 | -176.7 | 0 | 0 | 0 | 109.7 | L19 I49 L92 T93 G94 I105 I108 | L19-I21 HydrophobicContact CD2-CD1 4.09Å; L19-I21 HydrophobicContact CD2-CG1 4.35Å; L19-I21 HydrophobicContact CG-CD1 4.36Å; L19-I21 HydrophobicContact CG-CG1 4.06Å; I21-I49 WeakPolarHBondContact CA-O 3.32Å; I21-I49 HydrophobicContact CD1-CD1 4.36Å; I21-I49 HydrophobicContact CG1-CB 4.21Å; I21-I49 HydrophobicContact CG2-CB 4.23Å; I21-I49 HydrophobicContact CG2-CG2 4.32Å; I21-L92 PolarHBondContact N-O 3.06Å; I21-T93 HydrophobicContact CB-CG2 4.44Å; I21-T93 WeakPolarHBondContact O-CA 3.22Å; I21-G94 PolarHBondContact O-N 3.07Å; I21-G94 VanDerWaalsContact O-N 3.14Å; I21-I105 HydrophobicContact CB-CD1 4.44Å; I21-I105 HydrophobicContact CD1-CG1 4.12Å; I21-I105 HydrophobicContact CD1-CG2 4.48Å; I21-I105 HydrophobicContact CG2-CD1 3.6Å; I21-I105 HydrophobicContact CG2-CG1 4.03Å; I21-I108 HydrophobicContact CD1-CG2 4.36Å |
| 22 | Q | 97.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 178.9 | -173.8 | -48.6 | -172.7 | 38.4 | 0 | 0 | 111.6 | S20 I49 N50 S51 L92 | S20-Q22 PolarHBondContact OG-NE2 3.43Å; Q22-I49 PolarHBondContact N-O 3.1Å; Q22-N50 CarbonylContact O-C 3.54Å; Q22-N50 VanDerWaalsContact O-CA 3.3Å; Q22-N50 WeakPolarHBondContact O-CA 3.42Å; Q22-S51 VanDerWaalsContact C-OG 3.27Å; Q22-S51 PolarHBondContact O-N 3.01Å; Q22-S51 PolarHBondContact O-OG 3.15Å; Q22-L92 VanDerWaalsContact NE2-CG 3.32Å |
| 23 | S | 96.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 159.2 | 169.6 | 67 | 0 | 0 | 0 | 0 | 113 | G31 N32 S51 Y95 | S23-G31 CarbonylContact O-C 3.48Å; S23-G31 WeakPolarHBondContact O-CA 3.37Å; S23-G31 WeakPolarHBondContact OG-CA 3.35Å; S23-N32 WeakPolarHBondContact O-CB 3.33Å; S23-N32 PolarHBondContact O-N 2.88Å; S23-S51 PolarHBondContact N-OG 2.96Å; S23-Y95 PolarHBondContact N-O 2.96Å |
| 24 | H | 98.2 | Very high | 93.3 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.8 | 167.7 | 174.6 | -78.5 | 0 | 0 | 0 | 111.2 | N50 V52 Q53 F54 | H24-N50 HydrophobicContact CB-CB 3.87Å; H24-N50 VanDerWaalsContact CB-CG 3.44Å; H24-N50 WeakPolarHBondContact CB-OD1 3.29Å; H24-V52 PolarHBondContact N-O 2.81Å; H24-Q53 WeakPolarHBondContact O-CA 3.46Å; H24-F54 PolarHBondContact O-N 2.94Å |
| 25 | V | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.7 | 174.6 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | S27 A30 K33 F54 H57 | V25-S27 WeakPolarHBondContact CG2-O 3.45Å; V25-A30 HydrophobicContact CG1-CB 4.13Å; V25-A30 HydrophobicContact CG2-CB 4.04Å; V25-K33 HydrophobicContact CG2-CD 4.37Å; V25-K33 WeakPolarHBondContact O-CD 3.34Å; V25-F54 CarbonylContact C-O 3.52Å; V25-F54 VanDerWaalsContact CA-O 3.3Å; V25-F54 WeakPolarHBondContact CA-O 3.26Å; V25-H57 HydrophobicContact CG1-CB 4.34Å |
| 26 | V | 96.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 20.1 Ų | 20.1 | 55% | 0.545 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -71.8 | -47.8 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | K33 F54 | V26-K33 PolarHBondContact O-NZ 2.81Å; V26-F54 PolarHBondContact N-O 2.89Å |
| 27 | S | 94.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 22.8 Ų | 22.8 | 47% | 0.469 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -106.5 | 143.6 | 173.7 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | V25 S55 | V25-S27 WeakPolarHBondContact CG2-O 3.45Å; S27-S55 WeakPolarHBondContact CB-O 3.23Å; S27-S55 PolarHBondContact N-O 3.15Å |
| 28 | G | 90.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 10% | 0.103 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 82 | -166.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K33 E255 | G28-K33 VanDerWaalsContact O-CD 3.28Å; G28-K33 WeakPolarHBondContact O-CD 3.32Å; G28-K33 WeakPolarHBondContact O-CE 3.38Å; G28-K33 PolarHBondContact O-NZ 3.41Å; G28-E255 WeakPolarHBondContact CA-OE1 3.35Å; G28-E255 WeakPolarHBondContact CA-OE2 3.32Å |
| 29 | Y | 89.4 | Confident | 95.1 | Very high | 45 Ų | 45 | 20.3 Ų | 20.3 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | trans | -133.2 | 111 | -179.7 | -66.8 | -84.5 | 0 | 0 | 0 | 112 | K33 E255 L256 I258 V259 | Y29-K33 HydrophobicContact CD1-CG 4.07Å; Y29-K33 HydrophobicContact CE1-CG 4.4Å; Y29-E255 PolarHBondContact N-OE2 3.25Å; Y29-L256 WeakPolarHBondContact CD2-O 3.4Å; Y29-L256 WeakPolarHBondContact CE2-O 3.15Å; Y29-I258 HydrophobicContact CD1-CB 4.07Å; Y29-I258 HydrophobicContact CD1-CD1 3.37Å; Y29-I258 HydrophobicContact CD1-CG1 3.81Å; Y29-I258 HydrophobicContact CD2-CG1 4.39Å; Y29-I258 HydrophobicContact CE1-CB 3.83Å; Y29-I258 HydrophobicContact CE1-CD1 4.03Å; Y29-I258 HydrophobicContact CE1-CG1 4.1Å; Y29-I258 HydrophobicContact CG-CD1 3.69Å; Y29-I258 HydrophobicContact CG-CG1 3.95Å; Y29-V259 WeakPolarHBondContact OH-CG2 3.38Å | ||
| 30 | A | 91.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | trans | -155 | 153 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V25 K33 H57 V216 | V25-A30 HydrophobicContact CG1-CB 4.13Å; V25-A30 HydrophobicContact CG2-CB 4.04Å; A30-K33 PolarHBondContact O-N 3.42Å; A30-H57 HydrophobicContact CB-CB 4.3Å; A30-V216 HydrophobicContact CB-CG1 4.06Å | ||
| 31 | G | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | 53.6 | -132.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S23 K33 C34 A35 D220 | S23-G31 CarbonylContact O-C 3.48Å; S23-G31 WeakPolarHBondContact O-CA 3.37Å; S23-G31 WeakPolarHBondContact OG-CA 3.35Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 2.87Å; G31-C34 WeakPolarHBondContact O-CA 3.49Å; G31-C34 VanDerWaalsContact O-CB 3.27Å; G31-C34 WeakPolarHBondContact O-CB 3.27Å; G31-C34 PolarHBondContact O-N 3.25Å; G31-A35 PolarHBondContact O-N 3.13Å; G31-D220 PolarHBondContact N-OD2 3.23Å |
| 32 | N | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52.8 | -40.6 | -179.9 | -86.2 | -18.7 | 0 | 0 | 0 | 112.7 | S20 S23 C34 A35 I36 T48 I49 N50 | S20-N32 WeakPolarHBondContact CB-OD1 3.46Å; S20-N32 PolarHBondContact O-ND2 2.8Å; S20-N32 PolarHBondContact OG-OD1 3.47Å; S23-N32 WeakPolarHBondContact O-CB 3.33Å; S23-N32 PolarHBondContact O-N 2.88Å; N32-C34 PolarHBondContact O-N 2.8Å; N32-A35 PolarHBondContact O-N 3.09Å; N32-A35 VanDerWaalsContact O-N 3.15Å; N32-I36 HydrophobicContact CB-CD1 3.96Å; N32-I36 HydrophobicContact CB-CG1 4.39Å; N32-I36 WeakPolarHBondContact O-CB 3.43Å; N32-I36 WeakPolarHBondContact O-CD1 3.36Å; N32-I36 WeakPolarHBondContact O-CG1 3.47Å; N32-I36 PolarHBondContact O-N 3.43Å; N32-T48 HydrophobicContact CB-CG2 4.46Å; N32-I49 PolarHBondContact ND2-O 3Å; N32-N50 PolarHBondContact ND2-OD1 2.97Å |
| 33 | K | 95.6 | Very high | 94 | Very high | 58 Ų | 58 | 27 Ų | 27 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64 | -26.3 | 178.4 | -172.1 | 168.4 | 175.2 | -155.9 | 0 | 112.8 | V25 V26 G28 Y29 A30 G31 | V25-K33 HydrophobicContact CG2-CD 4.37Å; V25-K33 WeakPolarHBondContact O-CD 3.34Å; V26-K33 PolarHBondContact O-NZ 2.81Å; G28-K33 VanDerWaalsContact O-CD 3.28Å; G28-K33 WeakPolarHBondContact O-CD 3.32Å; G28-K33 WeakPolarHBondContact O-CE 3.38Å; G28-K33 PolarHBondContact O-NZ 3.41Å; Y29-K33 HydrophobicContact CD1-CG 4.07Å; Y29-K33 HydrophobicContact CE1-CG 4.4Å; A30-K33 PolarHBondContact O-N 3.42Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 2.87Å |
| 34 | C | 91.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -84 | -38.5 | 174.5 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | G31 N32 P38 G217 D220 I258 | G31-C34 WeakPolarHBondContact O-CA 3.49Å; G31-C34 VanDerWaalsContact O-CB 3.27Å; G31-C34 WeakPolarHBondContact O-CB 3.27Å; G31-C34 PolarHBondContact O-N 3.25Å; N32-C34 PolarHBondContact O-N 2.8Å; C34-P38 WeakPolarHBondContact O-CD 3.4Å; C34-P38 VanDerWaalsContact O-CG 3.25Å; C34-P38 WeakPolarHBondContact O-CG 3.4Å; C34-G217 PolarHBondContact SG-O 3.44Å; C34-D220 HydrophobicContact CB-CB 3.89Å; C34-I258 HydrophobicContact CB-CD1 4.01Å; C34-I258 WeakPolarHBondContact SG-CD1 3.17Å |
| 35 | A | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -82 | -36 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | G31 N32 P38 M39 L92 S224 | G31-A35 PolarHBondContact O-N 3.13Å; N32-A35 PolarHBondContact O-N 3.09Å; N32-A35 VanDerWaalsContact O-N 3.15Å; A35-P38 WeakPolarHBondContact O-CD 3.28Å; A35-M39 HydrophobicContact CB-CE 4.17Å; A35-M39 VanDerWaalsContact O-CE 3.32Å; A35-M39 WeakPolarHBondContact O-CE 3.33Å; A35-M39 WeakPolarHBondContact O-CG 3.26Å; A35-M39 PolarHBondContact O-N 3.34Å; A35-L92 HydrophobicContact CB-CD2 4.32Å; A35-S224 WeakPolarHBondContact O-CB 3.43Å |
| 36 | I | 95.6 | Very high | 93.8 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 16% | 0.159 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -55.3 | -169.9 | -65.6 | 155.9 | 0 | 0 | 0 | 111.9 | N32 M39 Q40 V46 T48 | N32-I36 HydrophobicContact CB-CD1 3.96Å; N32-I36 HydrophobicContact CB-CG1 4.39Å; N32-I36 WeakPolarHBondContact O-CB 3.43Å; N32-I36 WeakPolarHBondContact O-CD1 3.36Å; N32-I36 WeakPolarHBondContact O-CG1 3.47Å; N32-I36 PolarHBondContact O-N 3.43Å; I36-M39 PolarHBondContact O-N 2.94Å; I36-Q40 HydrophobicContact CG2-CG 3.93Å; I36-Q40 WeakPolarHBondContact O-CG 3.48Å; I36-Q40 PolarHBondContact O-N 3.42Å; I36-V46 HydrophobicContact CG1-CG1 4.16Å; I36-V46 HydrophobicContact CG2-CB 4.41Å; I36-T48 HydrophobicContact CD1-CG2 3.41Å; I36-T48 VanDerWaalsContact CD1-CG2 3.41Å; I36-T48 HydrophobicContact CG1-CG2 3.55Å |
| 37 | F | 94.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 28.4 Ų | 28.4 | 26% | 0.259 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | -172.4 | 178.8 | -99.8 | 0 | 0 | 0 | 112.7 | M39 Q40 V41 I258 V262 L265 | F37-M39 VanDerWaalsContact C-N 3.31Å; F37-M39 PolarHBondContact O-N 2.83Å; F37-Q40 PolarHBondContact O-N 2.96Å; F37-V41 HydrophobicContact CD1-CG1 4.26Å; F37-V41 HydrophobicContact CD2-CG1 4.09Å; F37-V41 HydrophobicContact CE1-CG1 3.9Å; F37-V41 HydrophobicContact CE2-CG1 3.69Å; F37-V41 HydrophobicContact CG-CG1 4.39Å; F37-V41 HydrophobicContact CZ-CG1 3.6Å; F37-V41 WeakPolarHBondContact O-CG1 3.3Å; F37-V41 WeakPolarHBondContact O-CG2 3.46Å; F37-V41 PolarHBondContact O-N 2.85Å; F37-I258 HydrophobicContact CB-CG2 4.45Å; F37-I258 HydrophobicContact CD1-CG2 3.65Å; F37-I258 HydrophobicContact CE1-CG2 4.4Å; F37-I258 HydrophobicContact CG-CG2 4.46Å; F37-V262 HydrophobicContact CE1-CB 3.97Å; F37-V262 HydrophobicContact CE1-CG2 3.95Å; F37-V262 HydrophobicContact CZ-CB 4.03Å; F37-V262 HydrophobicContact CZ-CG2 3.8Å; F37-L265 HydrophobicContact CD1-CD1 4.11Å; F37-L265 HydrophobicContact CE1-CD1 4.16Å |
| 38 | P | 91 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.7 | -42.2 | 171.7 | -25.9 | 32.8 | 0 | 0 | 0 | 114.1 | C34 A35 V41 H42 L221 L225 I258 L265 | C34-P38 WeakPolarHBondContact O-CD 3.4Å; C34-P38 VanDerWaalsContact O-CG 3.25Å; C34-P38 WeakPolarHBondContact O-CG 3.4Å; A35-P38 WeakPolarHBondContact O-CD 3.28Å; P38-V41 VanDerWaalsContact O-CG2 3.24Å; P38-V41 WeakPolarHBondContact O-CG2 3.32Å; P38-H42 PolarHBondContact O-CD2 3.41Å; P38-L221 HydrophobicContact CB-CD1 3.98Å; P38-L221 HydrophobicContact CG-CD1 3.33Å; P38-L225 HydrophobicContact CB-CD2 3.85Å; P38-L225 HydrophobicContact CB-CG 4.24Å; P38-I258 HydrophobicContact CG-CG2 4.37Å; P38-L265 HydrophobicContact CG-CD1 4.21Å |
| 39 | M | 94.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69 | -44 | 178.1 | -67.6 | -172.2 | -72.8 | 0 | 0 | 111.9 | V18 A35 I36 F37 V41 H42 G43 F44 V46 L92 L227 V228 | V18-M39 HydrophobicContact CG1-SD 4.25Å; V18-M39 HydrophobicContact CG2-SD 4.21Å; A35-M39 HydrophobicContact CB-CE 4.17Å; A35-M39 VanDerWaalsContact O-CE 3.32Å; A35-M39 WeakPolarHBondContact O-CE 3.33Å; A35-M39 WeakPolarHBondContact O-CG 3.26Å; A35-M39 PolarHBondContact O-N 3.34Å; I36-M39 PolarHBondContact O-N 2.94Å; F37-M39 VanDerWaalsContact C-N 3.31Å; F37-M39 PolarHBondContact O-N 2.83Å; M39-V41 PolarHBondContact O-N 3.22Å; M39-H42 CarbonylContact O-C 3.5Å; M39-H42 WeakPolarHBondContact O-CA 3.25Å; M39-H42 WeakPolarHBondContact O-CB 3.5Å; M39-H42 PolarHBondContact O-N 3.2Å; M39-G43 PolarHBondContact O-N 3.42Å; M39-F44 HydrophobicContact CB-CB 4.11Å; M39-F44 PolarHBondContact O-N 3.02Å; M39-V46 HydrophobicContact CB-CG2 3.75Å; M39-V46 HydrophobicContact CE-CG1 3.74Å; M39-V46 HydrophobicContact CE-CG2 4Å; M39-V46 HydrophobicContact SD-CG2 4.42Å; M39-L92 HydrophobicContact CE-CD2 4.23Å; M39-L92 HydrophobicContact SD-CD2 4.41Å; M39-L227 HydrophobicContact SD-CD1 4.4Å; M39-L227 HydrophobicContact SD-CD2 4.33Å; M39-V228 HydrophobicContact CB-CG2 4.28Å; M39-V228 HydrophobicContact CG-CG2 3.9Å |
| 40 | Q | 94.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 27.7 Ų | 27.7 | 43% | 0.43 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.1 | -41.8 | -179.4 | -74 | -179.8 | -35.3 | 0 | 0 | 112.8 | I36 F37 H42 G43 V46 | I36-Q40 HydrophobicContact CG2-CG 3.93Å; I36-Q40 WeakPolarHBondContact O-CG 3.48Å; I36-Q40 PolarHBondContact O-N 3.42Å; F37-Q40 PolarHBondContact O-N 2.96Å; Q40-H42 PolarHBondContact O-N 3.03Å; Q40-H42 VanDerWaalsContact O-N 3.1Å; Q40-G43 PolarHBondContact O-N 2.63Å; Q40-V46 HydrophobicContact CG-CG2 4.19Å |
| 41 | V | 92.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.7 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 113 | F37 P38 M39 V262 I266 | F37-V41 HydrophobicContact CD1-CG1 4.26Å; F37-V41 HydrophobicContact CD2-CG1 4.09Å; F37-V41 HydrophobicContact CE1-CG1 3.9Å; F37-V41 HydrophobicContact CE2-CG1 3.69Å; F37-V41 HydrophobicContact CG-CG1 4.39Å; F37-V41 HydrophobicContact CZ-CG1 3.6Å; F37-V41 WeakPolarHBondContact O-CG1 3.3Å; F37-V41 WeakPolarHBondContact O-CG2 3.46Å; F37-V41 PolarHBondContact O-N 2.85Å; P38-V41 VanDerWaalsContact O-CG2 3.24Å; P38-V41 WeakPolarHBondContact O-CG2 3.32Å; M39-V41 PolarHBondContact O-N 3.22Å; V41-V262 HydrophobicContact CB-CG2 4.39Å; V41-V262 HydrophobicContact CG1-CG2 3.87Å; V41-I266 HydrophobicContact CB-CD1 4.09Å; V41-I266 HydrophobicContact CB-CG1 4.02Å; V41-I266 HydrophobicContact CG2-CD1 4.45Å; V41-I266 HydrophobicContact CG2-CG1 3.86Å |
| 42 | H | 90.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.4 | 173.7 | -78.3 | -59.5 | 0 | 0 | 0 | 114.4 | P38 M39 Q40 F44 V228 W229 K232 L265 | P38-H42 PolarHBondContact O-CD2 3.41Å; M39-H42 CarbonylContact O-C 3.5Å; M39-H42 WeakPolarHBondContact O-CA 3.25Å; M39-H42 WeakPolarHBondContact O-CB 3.5Å; M39-H42 PolarHBondContact O-N 3.2Å; Q40-H42 PolarHBondContact O-N 3.03Å; Q40-H42 VanDerWaalsContact O-N 3.1Å; H42-F44 HydrophobicContact CB-CD2 4.29Å; H42-F44 HydrophobicContact CB-CE2 4.49Å; H42-V228 HydrophobicContact CB-CG1 3.59Å; H42-V228 HydrophobicContact CB-CG2 4.09Å; H42-W229 AromaticContact CE1-CZ2 3.85Å; H42-K232 PolarHBondContact ND1-NZ 3.05Å; H42-K232 PolarHBondContact O-NZ 2.8Å; H42-L265 PolarHBondContact NE2-O 2.96Å |
| 43 | G | 92.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | 5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.7 | M39 Q40 | M39-G43 PolarHBondContact O-N 3.42Å; Q40-G43 PolarHBondContact O-N 2.63Å |
| 44 | F | 95.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | trans | -84.3 | 136.7 | -178.1 | -71.6 | -114.2 | 0 | 0 | 0 | 111.3 | A16 V18 M39 H42 V46 L227 V228 H231 | A16-F44 HydrophobicContact CB-CD1 3.45Å; A16-F44 VanDerWaalsContact CB-CD1 3.45Å; A16-F44 HydrophobicContact CB-CD2 4.42Å; A16-F44 HydrophobicContact CB-CE1 3.48Å; A16-F44 VanDerWaalsContact CB-CE1 3.48Å; A16-F44 HydrophobicContact CB-CE2 4.39Å; A16-F44 HydrophobicContact CB-CG 3.97Å; A16-F44 HydrophobicContact CB-CZ 3.95Å; A16-F44 WeakPolarHBondContact O-CA 3.47Å; V18-F44 HydrophobicContact CG2-CB 4.25Å; V18-F44 HydrophobicContact CG2-CD1 3.5Å; V18-F44 VanDerWaalsContact CG2-CD1 3.5Å; V18-F44 HydrophobicContact CG2-CE1 4.32Å; V18-F44 HydrophobicContact CG2-CG 4.31Å; M39-F44 HydrophobicContact CB-CB 4.11Å; M39-F44 PolarHBondContact O-N 3.02Å; H42-F44 HydrophobicContact CB-CD2 4.29Å; H42-F44 HydrophobicContact CB-CE2 4.49Å; F44-V46 HydrophobicContact CB-CG2 4.12Å; F44-L227 HydrophobicContact CD1-CD2 4.06Å; F44-L227 HydrophobicContact CE1-CD2 3.57Å; F44-L227 HydrophobicContact CZ-CD2 4.27Å; F44-V228 HydrophobicContact CD2-CG2 4.06Å; F44-V228 HydrophobicContact CE2-CB 4.15Å; F44-V228 HydrophobicContact CE2-CG1 3.99Å; F44-V228 HydrophobicContact CE2-CG2 3.87Å; F44-V228 HydrophobicContact CZ-CB 4.42Å; F44-V228 HydrophobicContact CZ-CG2 4.3Å; F44-H231 HydrophobicContact CE1-CB 4.18Å; F44-H231 HydrophobicContact CZ-CB 3.64Å; F44-H231 AromaticContact CZ-CD2 3.6Å; F44-H231 AromaticContact CZ-CG 3.61Å | ||
| 45 | E | 95.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 32 Ų | 32 | 54% | 0.542 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.8 | 162.4 | -72.5 | -61.5 | 153.3 | 0 | 0 | 108.7 | A16 R17 V18 | A16-E45 PolarHBondContact O-N 3.38Å; R17-E45 CarbonylContact C-O 3.53Å; R17-E45 WeakPolarHBondContact CA-O 3.2Å; R17-E45 HydrophobicContact CG-CB 4.1Å; V18-E45 PolarHBondContact N-O 2.91Å |
| 46 | V | 97.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 109.8 | -172.6 | -173.4 | 0 | 0 | 0 | 0 | 110 | V18 I36 M39 Q40 F44 T48 | V18-V46 HydrophobicContact CB-CG1 4.4Å; V18-V46 HydrophobicContact CB-CG2 4.36Å; V18-V46 HydrophobicContact CG2-CG2 4.38Å; I36-V46 HydrophobicContact CG1-CG1 4.16Å; I36-V46 HydrophobicContact CG2-CB 4.41Å; M39-V46 HydrophobicContact CB-CG2 3.75Å; M39-V46 HydrophobicContact CE-CG1 3.74Å; M39-V46 HydrophobicContact CE-CG2 4Å; M39-V46 HydrophobicContact SD-CG2 4.42Å; Q40-V46 HydrophobicContact CG-CG2 4.19Å; F44-V46 HydrophobicContact CB-CG2 4.12Å; V46-T48 HydrophobicContact CG1-CG2 4.19Å |
| 47 | D | 98.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 144.5 | 167.7 | -67.5 | -25.5 | 0 | 0 | 0 | 109.7 | R17 V18 L19 S20 Y88 | R17-D47 IonicContact CZ-OD2 3.2Å; R17-D47 IonicContact NE-OD2 3.83Å; R17-D47 PolarHBondContact NE-OD2 3.42Å; R17-D47 VanDerWaalsContact NH2-CG 3.33Å; R17-D47 IonicContact NH2-OD1 2.71Å; R17-D47 PolarHBondContact NH2-OD1 2.92Å; R17-D47 IonicContact NH2-OD2 3.59Å; R17-D47 PolarHBondContact NH2-OD2 3.08Å; V18-D47 PolarHBondContact O-N 3.35Å; L19-D47 HydrophobicContact CD1-CB 4.3Å; S20-D47 PolarHBondContact N-O 3.43Å; D47-Y88 HydrophobicContact CB-CE1 3.88Å; D47-Y88 WeakPolarHBondContact CB-OH 3.24Å; D47-Y88 VanDerWaalsContact OD2-CE1 3.28Å; D47-Y88 WeakPolarHBondContact OD2-CE1 3.41Å; D47-Y88 PolarHBondContact OD2-OH 2.71Å |
| 48 | T | 98 | Very high | 95 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 34% | 0.344 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.1 | -171.6 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | S20 N32 I36 V46 | S20-T48 WeakPolarHBondContact O-CA 3.37Å; N32-T48 HydrophobicContact CB-CG2 4.46Å; I36-T48 HydrophobicContact CD1-CG2 3.41Å; I36-T48 VanDerWaalsContact CD1-CG2 3.41Å; I36-T48 HydrophobicContact CG1-CG2 3.55Å; V46-T48 HydrophobicContact CG1-CG2 4.19Å |
| 49 | I | 98.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.9 | 162.5 | -60.9 | 174 | 0 | 0 | 0 | 107.5 | L19 S20 I21 Q22 N32 S51 L68 L73 L76 | L19-I49 HydrophobicContact CD1-CD1 4.13Å; L19-I49 HydrophobicContact CD1-CG1 4.17Å; S20-I49 PolarHBondContact O-N 2.97Å; I21-I49 WeakPolarHBondContact CA-O 3.32Å; I21-I49 HydrophobicContact CD1-CD1 4.36Å; I21-I49 HydrophobicContact CG1-CB 4.21Å; I21-I49 HydrophobicContact CG2-CB 4.23Å; I21-I49 HydrophobicContact CG2-CG2 4.32Å; Q22-I49 PolarHBondContact N-O 3.1Å; N32-I49 PolarHBondContact ND2-O 3Å; I49-S51 PolarHBondContact O-N 3.4Å; I49-L68 HydrophobicContact CG2-CD2 3.59Å; I49-L73 HydrophobicContact CD1-CD1 3.94Å; I49-L73 HydrophobicContact CG2-CD1 3.78Å; I49-L76 HydrophobicContact CG2-CD1 4.08Å |
| 50 | N | 98.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107.3 | -176.1 | -63.3 | -34.6 | 0 | 0 | 0 | 109.7 | Q22 H24 N32 V52 | Q22-N50 CarbonylContact O-C 3.54Å; Q22-N50 VanDerWaalsContact O-CA 3.3Å; Q22-N50 WeakPolarHBondContact O-CA 3.42Å; H24-N50 HydrophobicContact CB-CB 3.87Å; H24-N50 VanDerWaalsContact CB-CG 3.44Å; H24-N50 WeakPolarHBondContact CB-OD1 3.29Å; N32-N50 PolarHBondContact ND2-OD1 2.97Å; N50-V52 PolarHBondContact O-N 2.94Å |
| 51 | S | 97.5 | Very high | 94 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -25.9 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | Q22 S23 I49 L68 Y95 | Q22-S51 VanDerWaalsContact C-OG 3.27Å; Q22-S51 PolarHBondContact O-N 3.01Å; Q22-S51 PolarHBondContact O-OG 3.15Å; S23-S51 PolarHBondContact N-OG 2.96Å; I49-S51 PolarHBondContact O-N 3.4Å; S51-L68 VanDerWaalsContact O-CB 3.26Å; S51-L68 WeakPolarHBondContact O-CB 3.44Å; S51-L68 PolarHBondContact O-N 3.11Å; S51-Y95 WeakPolarHBondContact CB-O 3.23Å; S51-Y95 PolarHBondContact OG-O 3.25Å |
| 52 | V | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.6 | 168.2 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | H24 N50 F54 H66 V67 Y95 | H24-V52 PolarHBondContact N-O 2.81Å; N50-V52 PolarHBondContact O-N 2.94Å; V52-F54 HydrophobicContact CB-CD1 4.15Å; V52-F54 HydrophobicContact CB-CD2 4.25Å; V52-F54 HydrophobicContact CB-CE1 3.8Å; V52-F54 HydrophobicContact CB-CE2 3.91Å; V52-F54 HydrophobicContact CB-CG 4.37Å; V52-F54 HydrophobicContact CB-CZ 3.67Å; V52-F54 HydrophobicContact CG1-CE1 4.15Å; V52-F54 HydrophobicContact CG1-CE2 4.07Å; V52-F54 HydrophobicContact CG1-CZ 3.65Å; V52-F54 HydrophobicContact CG2-CD2 3.83Å; V52-F54 HydrophobicContact CG2-CE1 4.43Å; V52-F54 HydrophobicContact CG2-CE2 3.73Å; V52-F54 HydrophobicContact CG2-CG 4.23Å; V52-F54 HydrophobicContact CG2-CZ 4.05Å; V52-H66 CarbonylContact C-O 3.57Å; V52-H66 VanDerWaalsContact CA-O 3.26Å; V52-H66 WeakPolarHBondContact CA-O 3.45Å; V52-V67 HydrophobicContact CG1-CB 4.33Å; V52-V67 HydrophobicContact CG1-CG1 4.2Å; V52-V67 HydrophobicContact CG1-CG2 4.04Å; V52-Y95 HydrophobicContact CG1-CE1 4.11Å; V52-Y95 HydrophobicContact CG2-CD1 4.34Å; V52-Y95 HydrophobicContact CG2-CE1 4.36Å |
| 53 | Q | 97.7 | Very high | 94.2 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 98.5 | 167.8 | -173.6 | 175.5 | 15.5 | 0 | 0 | 108.7 | H24 G65 H66 | H24-Q53 WeakPolarHBondContact O-CA 3.46Å; Q53-G65 CarbonylContact O-C 3.54Å; Q53-G65 WeakPolarHBondContact O-CA 3.46Å; Q53-H66 PolarHBondContact N-O 3.5Å; Q53-H66 PolarHBondContact O-N 2.97Å |
| 54 | F | 97.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 157.5 | -178.2 | -65.1 | -22.7 | 0 | 0 | 0 | 112.7 | H24 V25 V26 V52 N56 T58 F63 K64 V67 | H24-F54 PolarHBondContact O-N 2.94Å; V25-F54 CarbonylContact C-O 3.52Å; V25-F54 VanDerWaalsContact CA-O 3.3Å; V25-F54 WeakPolarHBondContact CA-O 3.26Å; V26-F54 PolarHBondContact N-O 2.89Å; V52-F54 HydrophobicContact CB-CD1 4.15Å; V52-F54 HydrophobicContact CB-CD2 4.25Å; V52-F54 HydrophobicContact CB-CE1 3.8Å; V52-F54 HydrophobicContact CB-CE2 3.91Å; V52-F54 HydrophobicContact CB-CG 4.37Å; V52-F54 HydrophobicContact CB-CZ 3.67Å; V52-F54 HydrophobicContact CG1-CE1 4.15Å; V52-F54 HydrophobicContact CG1-CE2 4.07Å; V52-F54 HydrophobicContact CG1-CZ 3.65Å; V52-F54 HydrophobicContact CG2-CD2 3.83Å; V52-F54 HydrophobicContact CG2-CE1 4.43Å; V52-F54 HydrophobicContact CG2-CE2 3.73Å; V52-F54 HydrophobicContact CG2-CG 4.23Å; V52-F54 HydrophobicContact CG2-CZ 4.05Å; F54-N56 VanDerWaalsContact C-N 3.29Å; F54-N56 PolarHBondContact O-N 2.98Å; F54-T58 HydrophobicContact CE2-CG2 4.47Å; F54-F63 HydrophobicContact CD1-CD2 4.36Å; F54-F63 HydrophobicContact CD2-CD2 4.04Å; F54-F63 HydrophobicContact CD2-CE2 4.15Å; F54-F63 HydrophobicContact CE1-CE2 4.38Å; F54-F63 HydrophobicContact CE2-CD2 4.33Å; F54-F63 AromaticContact CE2-CE2 3.96Å; F54-F63 HydrophobicContact CE2-CE2 3.96Å; F54-F63 HydrophobicContact CG-CD2 4.06Å; F54-F63 HydrophobicContact CG-CE2 4.45Å; F54-F63 HydrophobicContact CZ-CE2 4.09Å; F54-K64 CarbonylContact C-O 3.6Å; F54-K64 VanDerWaalsContact CA-O 3.29Å; F54-K64 WeakPolarHBondContact CA-O 3.28Å; F54-V67 HydrophobicContact CE1-CG2 4.28Å; F54-V67 HydrophobicContact CZ-CG2 4.22Å |
| 55 | S | 97.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -63 | -36.3 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | S27 F63 K64 | S27-S55 WeakPolarHBondContact CB-O 3.23Å; S27-S55 PolarHBondContact N-O 3.15Å; S55-F63 WeakPolarHBondContact OG-CA 3.42Å; S55-K64 PolarHBondContact N-O 3.41Å; S55-K64 PolarHBondContact OG-N 2.91Å; S55-K64 PolarHBondContact OG-O 3.36Å |
| 56 | N | 94.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -164.1 | 169.8 | -177 | 49.4 | -87.6 | 0 | 0 | 0 | 108.6 | F54 Y60 H62 F63 | F54-N56 VanDerWaalsContact C-N 3.29Å; F54-N56 PolarHBondContact O-N 2.98Å; N56-Y60 HydrophobicContact CB-CD2 3.85Å; N56-Y60 HydrophobicContact CB-CE2 3.87Å; N56-Y60 HydrophobicContact CB-CG 4.4Å; N56-Y60 VanDerWaalsContact ND2-CB 3.25Å; N56-Y60 WeakPolarHBondContact ND2-CB 3.47Å; N56-Y60 WeakPolarHBondContact ND2-CD2 3.41Å; N56-H62 PolarHBondContact ND2-O 3.15Å; N56-H62 PolarHBondContact OD1-O 3.23Å; N56-F63 WeakPolarHBondContact ND2-CB 3.49Å |
| 57 | H | 89 | Confident | 94.5 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | trans | -68.4 | 162.4 | 178.9 | 70.8 | 81.1 | 0 | 0 | 0 | 112.1 | V25 A30 G59 Y60 V216 E255 | V25-H57 HydrophobicContact CG1-CB 4.34Å; A30-H57 HydrophobicContact CB-CB 4.3Å; H57-G59 WeakPolarHBondContact ND1-CA 3.39Å; H57-G59 PolarHBondContact ND1-N 3.1Å; H57-G59 PolarHBondContact O-N 3.01Å; H57-G59 VanDerWaalsContact O-N 3.13Å; H57-Y60 AromaticContact CD2-CD2 3.82Å; H57-Y60 AromaticContact CD2-CE2 3.4Å; H57-Y60 VanDerWaalsContact CD2-CE2 3.4Å; H57-Y60 WeakPolarHBondContact CD2-CE2 3.35Å; H57-Y60 AromaticContact CE1-CD2 3.64Å; H57-Y60 AromaticContact CE1-CE2 3.74Å; H57-Y60 AromaticContact ND1-CD2 3.94Å; H57-Y60 AromaticContact NE2-CD2 3.56Å; H57-Y60 AromaticContact NE2-CE2 3.17Å; H57-Y60 WeakPolarHBondContact NE2-CE2 3.49Å; H57-Y60 WeakPolarHBondContact O-CD2 3.22Å; H57-Y60 PolarHBondContact O-N 3.25Å; H57-V216 HydrophobicContact CB-CG1 3.89Å; H57-V216 VanDerWaalsContact CE1-CG2 3.42Å; H57-V216 WeakPolarHBondContact CE1-CG2 3.26Å; H57-E255 IonicContact CD2-OE1 2.87Å; H57-E255 PolarHBondContact CD2-OE1 3.05Å; H57-E255 IonicContact NE2-OE1 3.29Å; H57-E255 PolarHBondContact NE2-OE1 3.37Å | ||
| 58 | T | 88 | Confident | 94.4 | Very high | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2 | -173.6 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | F54 Y60 F63 | F54-T58 HydrophobicContact CE2-CG2 4.47Å; T58-Y60 VanDerWaalsContact C-N 3.31Å; T58-F63 HydrophobicContact CG2-CD1 4.45Å; T58-F63 HydrophobicContact CG2-CE1 4.07Å; T58-F63 HydrophobicContact CG2-CE2 4.19Å; T58-F63 HydrophobicContact CG2-CZ 3.93Å |
| 59 | G | 84.2 | Confident | 94.4 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H57 | H57-G59 WeakPolarHBondContact ND1-CA 3.39Å; H57-G59 PolarHBondContact ND1-N 3.1Å; H57-G59 PolarHBondContact O-N 3.01Å; H57-G59 VanDerWaalsContact O-N 3.13Å |
| 60 | Y | 86.8 | Confident | 94.4 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -80.6 | 152.9 | 169.8 | -70.8 | -101.9 | 0 | 0 | 0 | 110.9 | N56 H57 T58 H62 S253 E255 | N56-Y60 HydrophobicContact CB-CD2 3.85Å; N56-Y60 HydrophobicContact CB-CE2 3.87Å; N56-Y60 HydrophobicContact CB-CG 4.4Å; N56-Y60 VanDerWaalsContact ND2-CB 3.25Å; N56-Y60 WeakPolarHBondContact ND2-CB 3.47Å; N56-Y60 WeakPolarHBondContact ND2-CD2 3.41Å; H57-Y60 AromaticContact CD2-CD2 3.82Å; H57-Y60 AromaticContact CD2-CE2 3.4Å; H57-Y60 VanDerWaalsContact CD2-CE2 3.4Å; H57-Y60 WeakPolarHBondContact CD2-CE2 3.35Å; H57-Y60 AromaticContact CE1-CD2 3.64Å; H57-Y60 AromaticContact CE1-CE2 3.74Å; H57-Y60 AromaticContact ND1-CD2 3.94Å; H57-Y60 AromaticContact NE2-CD2 3.56Å; H57-Y60 AromaticContact NE2-CE2 3.17Å; H57-Y60 WeakPolarHBondContact NE2-CE2 3.49Å; H57-Y60 WeakPolarHBondContact O-CD2 3.22Å; H57-Y60 PolarHBondContact O-N 3.25Å; T58-Y60 VanDerWaalsContact C-N 3.31Å; Y60-H62 PolarHBondContact O-N 3.2Å; Y60-H62 VanDerWaalsContact O-N 3.16Å; Y60-S253 WeakPolarHBondContact OH-CB 2.99Å; Y60-S253 PolarHBondContact OH-OG 3.17Å; Y60-E255 VanDerWaalsContact CE2-OE1 3.29Å; Y60-E255 WeakPolarHBondContact CE2-OE1 3.46Å; Y60-E255 PolarHBondContact OH-OE1 2.87Å |
| 61 | A | 89.8 | Confident | 94.4 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 80% | 0.802 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -58.7 | -28.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 62 | H | 92.7 | Very high | 94.4 | Very high | 160 Ų | 160 | 69.5 Ų | 69.5 | 74% | 0.741 | 39% | 0.391 | S | S | * | . | trans | -134.6 | 140.1 | 178.7 | -56.3 | -53.4 | 0 | 0 | 0 | 110.6 | N56 Y60 | N56-H62 PolarHBondContact ND2-O 3.15Å; N56-H62 PolarHBondContact OD1-O 3.23Å; Y60-H62 PolarHBondContact O-N 3.2Å; Y60-H62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | F | 93.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | trans | -149.3 | 156.8 | 167.8 | 70 | -81.4 | 0 | 0 | 0 | 109.2 | F54 S55 N56 T58 | F54-F63 HydrophobicContact CD1-CD2 4.36Å; F54-F63 HydrophobicContact CD2-CD2 4.04Å; F54-F63 HydrophobicContact CD2-CE2 4.15Å; F54-F63 HydrophobicContact CE1-CE2 4.38Å; F54-F63 HydrophobicContact CE2-CD2 4.33Å; F54-F63 AromaticContact CE2-CE2 3.96Å; F54-F63 HydrophobicContact CE2-CE2 3.96Å; F54-F63 HydrophobicContact CG-CD2 4.06Å; F54-F63 HydrophobicContact CG-CE2 4.45Å; F54-F63 HydrophobicContact CZ-CE2 4.09Å; S55-F63 WeakPolarHBondContact OG-CA 3.42Å; N56-F63 WeakPolarHBondContact ND2-CB 3.49Å; T58-F63 HydrophobicContact CG2-CD1 4.45Å; T58-F63 HydrophobicContact CG2-CE1 4.07Å; T58-F63 HydrophobicContact CG2-CE2 4.19Å; T58-F63 HydrophobicContact CG2-CZ 3.93Å | ||
| 64 | K | 96.7 | Very high | 94.5 | Very high | 172 Ų | 172 | 68.7 Ų | 68.7 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | trans | -137.4 | 160.1 | 174.3 | -69.6 | -66.9 | -174.8 | 177.7 | 0 | 109.4 | F54 S55 | F54-K64 CarbonylContact C-O 3.6Å; F54-K64 VanDerWaalsContact CA-O 3.29Å; F54-K64 WeakPolarHBondContact CA-O 3.28Å; S55-K64 PolarHBondContact N-O 3.41Å; S55-K64 PolarHBondContact OG-N 2.91Å; S55-K64 PolarHBondContact OG-O 3.36Å | ||
| 65 | G | 96.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | -168 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q53 | Q53-G65 CarbonylContact O-C 3.54Å; Q53-G65 WeakPolarHBondContact O-CA 3.46Å |
| 66 | H | 96.1 | Very high | 94.6 | Very high | 145 Ų | 145 | 77.6 Ų | 77.6 | 67% | 0.671 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.1 | -170.5 | -56.7 | 104.3 | 0 | 0 | 0 | 111.2 | V52 Q53 | V52-H66 CarbonylContact C-O 3.57Å; V52-H66 VanDerWaalsContact CA-O 3.26Å; V52-H66 WeakPolarHBondContact CA-O 3.45Å; Q53-H66 PolarHBondContact N-O 3.5Å; Q53-H66 PolarHBondContact O-N 2.97Å |
| 67 | V | 96.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 77.4 Ų | 77.4 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.6 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | V52 F54 G69 D98 | V52-V67 HydrophobicContact CG1-CB 4.33Å; V52-V67 HydrophobicContact CG1-CG1 4.2Å; V52-V67 HydrophobicContact CG1-CG2 4.04Å; F54-V67 HydrophobicContact CE1-CG2 4.28Å; F54-V67 HydrophobicContact CZ-CG2 4.22Å; V67-G69 PolarHBondContact O-N 3.41Å; V67-D98 HydrophobicContact CG1-CB 4.47Å |
| 68 | L | 97.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 79.8 Ų | 79.8 | 10% | 0.099 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 125.9 | 177.1 | -173.6 | 69.9 | 0 | 0 | 0 | 109 | I49 S51 Q72 L73 L76 V101 | I49-L68 HydrophobicContact CG2-CD2 3.59Å; S51-L68 VanDerWaalsContact O-CB 3.26Å; S51-L68 WeakPolarHBondContact O-CB 3.44Å; S51-L68 PolarHBondContact O-N 3.11Å; L68-Q72 HydrophobicContact CD1-CB 3.57Å; L68-Q72 HydrophobicContact CG-CB 4.38Å; L68-L73 HydrophobicContact CD2-CB 3.87Å; L68-L73 HydrophobicContact CD2-CD1 4.15Å; L68-L73 HydrophobicContact CG-CB 4.32Å; L68-L76 HydrophobicContact CD1-CD1 4.42Å; L68-V101 VanDerWaalsContact O-CG2 3.29Å; L68-V101 WeakPolarHBondContact O-CG2 3.24Å |
| 69 | G | 97.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 159.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V67 D71 Q72 L73 | V67-G69 PolarHBondContact O-N 3.41Å; G69-D71 VanDerWaalsContact C-N 3.33Å; G69-D71 PolarHBondContact O-N 3.41Å; G69-Q72 WeakPolarHBondContact O-CB 3.36Å; G69-Q72 PolarHBondContact O-N 3.01Å; G69-L73 PolarHBondContact O-N 3.36Å |
| 70 | I | 98.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 75.9 Ų | 75.9 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 177.8 | -177.2 | 165.7 | 0 | 0 | 0 | 112.9 | Q72 L73 K74 L100 E104 | I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 3.21Å; I70-L73 PolarHBondContact O-N 3.21Å; I70-K74 HydrophobicContact CG1-CD 4.25Å; I70-K74 WeakPolarHBondContact O-CG 3.25Å; I70-K74 PolarHBondContact O-N 3.22Å; I70-L100 HydrophobicContact CB-CB 4.18Å; I70-L100 HydrophobicContact CD1-CB 3.88Å; I70-L100 HydrophobicContact CG2-CD1 4.46Å; I70-E104 HydrophobicContact CD1-CB 4.39Å; I70-E104 HydrophobicContact CG1-CB 4.41Å |
| 71 | D | 98.3 | Very high | 97 | Very high | 119 Ų | 119 | 78 Ų | 78 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | -179.3 | -64.9 | -28.2 | 0 | 0 | 0 | 111.6 | G69 K74 E75 | G69-D71 VanDerWaalsContact C-N 3.33Å; G69-D71 PolarHBondContact O-N 3.41Å; D71-K74 PolarHBondContact O-N 2.91Å; D71-E75 WeakPolarHBondContact O-CB 3.41Å; D71-E75 PolarHBondContact O-N 3.09Å |
| 72 | Q | 98 | Very high | 97.4 | Very high | 103 Ų | 103 | 79.2 Ų | 79.2 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.8 | -63.1 | 174.7 | -40.9 | 0 | 0 | 111.4 | L68 G69 I70 E75 L76 | L68-Q72 HydrophobicContact CD1-CB 3.57Å; L68-Q72 HydrophobicContact CG-CB 4.38Å; G69-Q72 WeakPolarHBondContact O-CB 3.36Å; G69-Q72 PolarHBondContact O-N 3.01Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 3.21Å; Q72-E75 PolarHBondContact O-N 2.85Å; Q72-L76 WeakPolarHBondContact O-CG 3.37Å; Q72-L76 PolarHBondContact O-N 3.41Å |
| 73 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 174.3 | 174.3 | 59.7 | 0 | 0 | 0 | 111 | I49 L68 G69 I70 L76 Y77 V101 E104 I105 I108 | I49-L73 HydrophobicContact CD1-CD1 3.94Å; I49-L73 HydrophobicContact CG2-CD1 3.78Å; L68-L73 HydrophobicContact CD2-CB 3.87Å; L68-L73 HydrophobicContact CD2-CD1 4.15Å; L68-L73 HydrophobicContact CG-CB 4.32Å; G69-L73 PolarHBondContact O-N 3.36Å; I70-L73 PolarHBondContact O-N 3.21Å; L73-L76 PolarHBondContact O-N 3.39Å; L73-Y77 WeakPolarHBondContact O-CB 3.45Å; L73-Y77 PolarHBondContact O-N 3.26Å; L73-V101 HydrophobicContact CD2-CG1 3.87Å; L73-E104 HydrophobicContact CD2-CB 3.76Å; L73-E104 HydrophobicContact CD2-CG 3.85Å; L73-E104 HydrophobicContact CG-CG 4.29Å; L73-I105 HydrophobicContact CD2-CG1 4.06Å; L73-I108 HydrophobicContact CD1-CD1 3.72Å; L73-I108 HydrophobicContact CD2-CD1 4.06Å; L73-I108 HydrophobicContact CG-CD1 3.92Å |
| 74 | K | 98.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 77.6 Ų | 77.6 | 37% | 0.365 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.9 | -75.4 | 178 | 175.8 | 175.8 | 0 | 112.3 | I70 D71 Y77 E78 E104 | I70-K74 HydrophobicContact CG1-CD 4.25Å; I70-K74 WeakPolarHBondContact O-CG 3.25Å; I70-K74 PolarHBondContact O-N 3.22Å; D71-K74 PolarHBondContact O-N 2.91Å; K74-Y77 PolarHBondContact O-N 2.95Å; K74-E78 WeakPolarHBondContact O-CB 3.46Å; K74-E78 PolarHBondContact O-N 3.11Å; K74-E104 VanDerWaalsContact CE-OE1 3.22Å; K74-E104 WeakPolarHBondContact CE-OE1 2.97Å; K74-E104 VanDerWaalsContact CE-OE2 3.22Å; K74-E104 WeakPolarHBondContact CE-OE2 3.27Å; K74-E104 HydrophobicContact CG-CG 4.05Å; K74-E104 WeakPolarHBondContact CG-OE1 2.94Å; K74-E104 IonicContact NZ-OE2 3.41Å |
| 75 | E | 98.4 | Very high | 97.7 | Very high | 148 Ų | 148 | 72.8 Ų | 72.8 | 69% | 0.692 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 177.8 | -173.9 | 179.1 | 172.5 | 0 | 0 | 111.6 | D71 Q72 G79 | D71-E75 WeakPolarHBondContact O-CB 3.41Å; D71-E75 PolarHBondContact O-N 3.09Å; Q72-E75 PolarHBondContact O-N 2.85Å; E75-G79 PolarHBondContact O-N 3.14Å |
| 76 | L | 98.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 175.9 | -70.1 | 173.3 | 0 | 0 | 0 | 111.8 | I49 L68 Q72 L73 E78 G79 L80 | I49-L76 HydrophobicContact CG2-CD1 4.08Å; L68-L76 HydrophobicContact CD1-CD1 4.42Å; Q72-L76 WeakPolarHBondContact O-CG 3.37Å; Q72-L76 PolarHBondContact O-N 3.41Å; L73-L76 PolarHBondContact O-N 3.39Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 3.18Å; L76-G79 PolarHBondContact O-N 3.43Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.97Å |
| 77 | Y | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 8% | 0.078 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -178.5 | -170.1 | -107.4 | 0 | 0 | 0 | 112.1 | L73 K74 L80 R81 L86 I108 D111 L112 | L73-Y77 WeakPolarHBondContact O-CB 3.45Å; L73-Y77 PolarHBondContact O-N 3.26Å; K74-Y77 PolarHBondContact O-N 2.95Å; Y77-L80 WeakPolarHBondContact O-CB 3.47Å; Y77-L80 PolarHBondContact O-N 3.33Å; Y77-R81 WeakPolarHBondContact O-CB 3.46Å; Y77-R81 PolarHBondContact O-N 3.22Å; Y77-L86 HydrophobicContact CD2-CD2 4.26Å; Y77-L86 HydrophobicContact CE2-CD2 3.61Å; Y77-I108 HydrophobicContact CD1-CD1 4.48Å; Y77-I108 HydrophobicContact CD1-CG1 3.91Å; Y77-I108 HydrophobicContact CD2-CB 4.44Å; Y77-I108 HydrophobicContact CD2-CD1 3.97Å; Y77-I108 HydrophobicContact CD2-CG1 3.84Å; Y77-I108 HydrophobicContact CD2-CG2 3.85Å; Y77-I108 HydrophobicContact CE1-CG1 4.12Å; Y77-I108 HydrophobicContact CE2-CB 4.24Å; Y77-I108 HydrophobicContact CE2-CG1 4.06Å; Y77-I108 HydrophobicContact CE2-CG2 3.48Å; Y77-I108 VanDerWaalsContact CE2-CG2 3.48Å; Y77-I108 HydrophobicContact CG-CD1 3.91Å; Y77-I108 HydrophobicContact CG-CG1 3.77Å; Y77-D111 WeakPolarHBondContact CE1-OD2 3.21Å; Y77-D111 PolarHBondContact OH-OD2 2.67Å; Y77-L112 HydrophobicContact CE2-CD2 4.31Å; Y77-L112 HydrophobicContact CE2-CG 4.44Å; Y77-L112 WeakPolarHBondContact OH-CD2 3.39Å |
| 78 | E | 98.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 172.8 | 178 | 61.7 | -172.9 | 0 | 0 | 111.6 | K74 L76 L80 R81 L82 | K74-E78 WeakPolarHBondContact O-CB 3.46Å; K74-E78 PolarHBondContact O-N 3.11Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 3.18Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.86Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.9Å; E78-R81 IonicContact OE1-CZ 2.67Å; E78-R81 IonicContact OE1-NE 3.78Å; E78-R81 IonicContact OE1-NH2 3.39Å; E78-R81 PolarHBondContact OE1-NH2 2.92Å; E78-R81 IonicContact OE2-CZ 3.81Å; E78-R81 IonicContact OE2-NE 3.87Å; E78-R81 PolarHBondContact OE2-NE 3.03Å; E78-R81 IonicContact OE2-NH2 3.56Å; E78-R81 PolarHBondContact OE2-NH2 3.34Å; E78-L82 HydrophobicContact CG-CD1 3.96Å; E78-L82 HydrophobicContact CG-CG 4.25Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 VanDerWaalsContact O-CG 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.24Å; E78-L82 PolarHBondContact O-N 2.89Å; E78-L82 WeakPolarHBondContact OE1-CG 3.49Å |
| 79 | G | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E75 L76 S83 | E75-G79 PolarHBondContact O-N 3.14Å; L76-G79 PolarHBondContact O-N 3.43Å; G79-S83 WeakPolarHBondContact O-CB 3.28Å; G79-S83 PolarHBondContact O-N 2.93Å; G79-S83 PolarHBondContact O-OG 3.07Å |
| 80 | L | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174 | -65.9 | 172.3 | 0 | 0 | 0 | 111.2 | L76 Y77 E78 S83 D84 L85 L86 | L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.97Å; Y77-L80 WeakPolarHBondContact O-CB 3.47Å; Y77-L80 PolarHBondContact O-N 3.33Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.86Å; L80-S83 PolarHBondContact O-N 2.92Å; L80-D84 PolarHBondContact O-N 2.92Å; L80-L85 HydrophobicContact CD2-CB 4.11Å; L80-L85 HydrophobicContact CD2-CD1 4.32Å; L80-L85 PolarHBondContact O-N 3.49Å; L80-L86 HydrophobicContact CB-CD2 3.68Å |
| 81 | R | 98 | Very high | 97.8 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 179 | -169.7 | -178.4 | 72.5 | 84.7 | -0.6 | 112.8 | Y77 E78 S83 D84 L86 | Y77-R81 WeakPolarHBondContact O-CB 3.46Å; Y77-R81 PolarHBondContact O-N 3.22Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.9Å; E78-R81 IonicContact OE1-CZ 2.67Å; E78-R81 IonicContact OE1-NE 3.78Å; E78-R81 IonicContact OE1-NH2 3.39Å; E78-R81 PolarHBondContact OE1-NH2 2.92Å; E78-R81 IonicContact OE2-CZ 3.81Å; E78-R81 IonicContact OE2-NE 3.87Å; E78-R81 PolarHBondContact OE2-NE 3.03Å; E78-R81 IonicContact OE2-NH2 3.56Å; E78-R81 PolarHBondContact OE2-NH2 3.34Å; R81-S83 PolarHBondContact O-N 3.31Å; R81-D84 PolarHBondContact O-N 3.23Å; R81-L86 HydrophobicContact CB-CD1 3.78Å; R81-L86 HydrophobicContact CG-CD1 3.81Å |
| 82 | L | 98.2 | Very high | 97.8 | Very high | 124 Ų | 124 | 59.2 Ų | 59.2 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.8 | -25.5 | 179.3 | -70.7 | 175.4 | 0 | 0 | 0 | 112.4 | E78 | E78-L82 HydrophobicContact CG-CD1 3.96Å; E78-L82 HydrophobicContact CG-CG 4.25Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 VanDerWaalsContact O-CG 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.24Å; E78-L82 PolarHBondContact O-N 2.89Å; E78-L82 WeakPolarHBondContact OE1-CG 3.49Å |
| 83 | S | 97.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.5 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | G79 L80 R81 L85 | G79-S83 WeakPolarHBondContact O-CB 3.28Å; G79-S83 PolarHBondContact O-N 2.93Å; G79-S83 PolarHBondContact O-OG 3.07Å; L80-S83 PolarHBondContact O-N 2.92Å; R81-S83 PolarHBondContact O-N 3.31Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 2.94Å |
| 84 | D | 95.5 | Very high | 97.7 | Very high | 127 Ų | 127 | 54.4 Ų | 54.4 | 68% | 0.679 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 37.9 | -175 | -157.3 | 33.9 | 0 | 0 | 0 | 113.8 | L80 R81 | L80-D84 PolarHBondContact O-N 2.92Å; R81-D84 PolarHBondContact O-N 3.23Å |
| 85 | L | 96.8 | Very high | 97.6 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | trans | -104.4 | 34 | -177.1 | -60.3 | 175.3 | 0 | 0 | 0 | 112.9 | L80 S83 | L80-L85 HydrophobicContact CD2-CB 4.11Å; L80-L85 HydrophobicContact CD2-CD1 4.32Å; L80-L85 PolarHBondContact O-N 3.49Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 2.94Å | ||
| 86 | L | 97 | Very high | 97.5 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | trans | -105.6 | 20.3 | -177.4 | -61.1 | -177.7 | 0 | 0 | 0 | 113.2 | Y77 L80 R81 Y88 L112 | Y77-L86 HydrophobicContact CD2-CD2 4.26Å; Y77-L86 HydrophobicContact CE2-CD2 3.61Å; L80-L86 HydrophobicContact CB-CD2 3.68Å; R81-L86 HydrophobicContact CB-CD1 3.78Å; R81-L86 HydrophobicContact CG-CD1 3.81Å; L86-Y88 HydrophobicContact CD2-CE2 4.17Å; L86-Y88 PolarHBondContact O-N 2.57Å; L86-L112 HydrophobicContact CB-CD2 4.04Å; L86-L112 HydrophobicContact CD2-CD2 4.14Å | ||
| 87 | D | 95 | Very high | 97.3 | Very high | 103 Ų | 103 | 46.4 Ų | 46.4 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | trans | -77.5 | 40 | 179.6 | 66.2 | -34.2 | 0 | 0 | 0 | 113 | R17 | R17-D87 VanDerWaalsContact CD-OD1 3.25Å; R17-D87 WeakPolarHBondContact CD-OD1 3.33Å; R17-D87 IonicContact NE-OD1 3.48Å | ||
| 88 | Y | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | trans | -71.5 | 134.8 | 179.6 | -63.1 | -64.2 | 0 | 0 | 0 | 111.8 | R17 L19 D47 L86 L112 N116 L119 | R17-Y88 HydrophobicContact CB-CD1 4.33Å; R17-Y88 HydrophobicContact CG-CD1 3.81Å; R17-Y88 HydrophobicContact CG-CE1 3.98Å; L19-Y88 HydrophobicContact CB-CD1 3.8Å; L19-Y88 HydrophobicContact CB-CD2 3.86Å; L19-Y88 HydrophobicContact CB-CE1 3.83Å; L19-Y88 HydrophobicContact CB-CE2 3.86Å; L19-Y88 HydrophobicContact CB-CG 3.83Å; L19-Y88 HydrophobicContact CD1-CE1 4.49Å; L19-Y88 HydrophobicContact CD1-CE2 4.22Å; L19-Y88 HydrophobicContact CD2-CD2 4.27Å; L19-Y88 HydrophobicContact CD2-CE2 3.99Å; L19-Y88 HydrophobicContact CG-CE2 4.24Å; D47-Y88 HydrophobicContact CB-CE1 3.88Å; D47-Y88 WeakPolarHBondContact CB-OH 3.24Å; D47-Y88 VanDerWaalsContact OD2-CE1 3.28Å; D47-Y88 WeakPolarHBondContact OD2-CE1 3.41Å; D47-Y88 PolarHBondContact OD2-OH 2.71Å; L86-Y88 HydrophobicContact CD2-CE2 4.17Å; L86-Y88 PolarHBondContact O-N 2.57Å; Y88-L112 HydrophobicContact CD2-CD1 4.01Å; Y88-L112 HydrophobicContact CD2-CD2 3.75Å; Y88-N116 PolarHBondContact O-ND2 3.35Å; Y88-L119 WeakPolarHBondContact O-CD1 3.35Å | ||
| 89 | T | 97 | Very high | 96.9 | Very high | 37 Ų | 37 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -96.1 | -26.1 | 173.1 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | H15 R17 F120 | H15-T89 WeakPolarHBondContact O-CG2 3.29Å; R17-T89 PolarHBondContact N-OG1 2.94Å; R17-T89 PolarHBondContact O-N 3.35Å; R17-T89 PolarHBondContact O-OG1 3.23Å; T89-F120 PolarHBondContact O-N 3.1Å |
| 90 | H | 98.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 156 | 179.1 | -49.6 | 71.8 | 0 | 0 | 0 | 111.4 | R17 V18 L19 F120 L227 H231 | R17-H90 PolarHBondContact O-N 3.17Å; V18-H90 WeakPolarHBondContact CA-O 3.2Å; V18-H90 HydrophobicContact CG1-CB 4.27Å; V18-H90 HydrophobicContact CG2-CB 4.14Å; L19-H90 PolarHBondContact N-O 3.08Å; H90-F120 CarbonylContact C-O 3.55Å; H90-F120 WeakPolarHBondContact CA-O 3.32Å; H90-F120 AromaticContact CD2-CD1 4Å; H90-L227 HydrophobicContact CB-CD1 4.06Å; H90-L227 HydrophobicContact CB-CD2 4.2Å; H90-L227 HydrophobicContact CB-CG 4.4Å; H90-H231 AromaticContact CE1-CE1 3.79Å; H90-H231 AromaticContact CE1-CG 3.97Å; H90-H231 AromaticContact CE1-ND1 3.15Å; H90-H231 PolarHBondContact CE1-ND1 3.42Å; H90-H231 AromaticContact NE2-CG 3.73Å; H90-H231 AromaticContact NE2-ND1 3.11Å; H90-H231 PolarHBondContact NE2-ND1 2.99Å; H90-H231 VanDerWaalsContact NE2-ND1 3.11Å |
| 91 | C | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.9 | 167.6 | -75.9 | 0 | 0 | 0 | 0 | 109.7 | L19 I109 L112 F120 Y121 V122 | L19-C91 WeakPolarHBondContact O-CA 3.35Å; C91-I109 HydrophobicContact CB-CD1 3.58Å; C91-L112 WeakPolarHBondContact SG-CD1 3.47Å; C91-F120 PolarHBondContact N-O 3.41Å; C91-Y121 HydrophobicContact CB-CD2 3.73Å; C91-Y121 HydrophobicContact CB-CG 4.37Å; C91-V122 PolarHBondContact O-N 3.4Å |
| 92 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.1 | 173.1 | 176.1 | 60.2 | 0 | 0 | 0 | 109 | V18 L19 S20 I21 Q22 A35 M39 V122 L227 | V18-L92 HydrophobicContact CG1-CB 4.37Å; L19-L92 PolarHBondContact O-N 3.25Å; S20-L92 CarbonylContact C-O 3.55Å; S20-L92 WeakPolarHBondContact CA-O 3.29Å; I21-L92 PolarHBondContact N-O 3.06Å; Q22-L92 VanDerWaalsContact NE2-CG 3.32Å; A35-L92 HydrophobicContact CB-CD2 4.32Å; M39-L92 HydrophobicContact CE-CD2 4.23Å; M39-L92 HydrophobicContact SD-CD2 4.41Å; L92-V122 WeakPolarHBondContact CA-O 3.14Å; L92-V122 HydrophobicContact CD1-CB 3.72Å; L92-V122 HydrophobicContact CD1-CG1 3.59Å; L92-L227 HydrophobicContact CB-CD1 3.96Å |
| 93 | T | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.1 | 172.8 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | I21 I105 Y121 V122 D124 | I21-T93 HydrophobicContact CB-CG2 4.44Å; I21-T93 WeakPolarHBondContact O-CA 3.22Å; T93-I105 HydrophobicContact CG2-CG2 3.76Å; T93-Y121 HydrophobicContact CG2-CE2 3.58Å; T93-Y121 WeakPolarHBondContact CG2-OH 3.41Å; T93-Y121 WeakPolarHBondContact OG1-CE2 3.47Å; T93-Y121 PolarHBondContact OG1-OH 2.63Å; T93-V122 PolarHBondContact N-O 3.17Å; T93-V122 VanDerWaalsContact N-O 3.09Å; T93-D124 VanDerWaalsContact O-CB 3.26Å; T93-D124 WeakPolarHBondContact O-CB 3.44Å; T93-D124 PolarHBondContact O-N 3.14Å |
| 94 | G | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -143.8 | -136.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I21 V96 D124 | I21-G94 PolarHBondContact O-N 3.07Å; I21-G94 VanDerWaalsContact O-N 3.14Å; G94-V96 PolarHBondContact O-N 2.95Å; G94-V96 VanDerWaalsContact O-N 3.13Å; G94-D124 WeakPolarHBondContact CA-O 3.47Å | ||
| 95 | Y | 96.2 | Very high | 97 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | trans | -51.8 | 120 | -178 | -174.9 | -85.7 | 0 | 0 | 0 | 113.1 | S23 S51 V52 R97 V126 V135 | S23-Y95 PolarHBondContact N-O 2.96Å; S51-Y95 WeakPolarHBondContact CB-O 3.23Å; S51-Y95 PolarHBondContact OG-O 3.25Å; V52-Y95 HydrophobicContact CG1-CE1 4.11Å; V52-Y95 HydrophobicContact CG2-CD1 4.34Å; V52-Y95 HydrophobicContact CG2-CE1 4.36Å; Y95-R97 HydrophobicContact CE1-CB 3.93Å; Y95-V126 HydrophobicContact CD2-CG1 3.83Å; Y95-V126 HydrophobicContact CG-CG1 4.47Å; Y95-V135 HydrophobicContact CE2-CG1 3.82Å | ||
| 96 | V | 96.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | trans | -135.7 | 130.4 | 171.4 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | G94 V101 L102 I105 L139 | G94-V96 PolarHBondContact O-N 2.95Å; G94-V96 VanDerWaalsContact O-N 3.13Å; V96-V101 HydrophobicContact CG1-CB 4.2Å; V96-V101 HydrophobicContact CG1-CG1 3.85Å; V96-L102 HydrophobicContact CB-CD1 4.17Å; V96-L102 HydrophobicContact CG1-CB 4.09Å; V96-L102 HydrophobicContact CG1-CD1 4.23Å; V96-L102 HydrophobicContact CG2-CD1 4.42Å; V96-I105 HydrophobicContact CG1-CD1 4.25Å; V96-I105 HydrophobicContact CG2-CD1 3.53Å; V96-L139 WeakPolarHBondContact O-CD2 3.48Å | ||
| 97 | R | 93.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 33.9 Ų | 33.9 | 47% | 0.472 | 16% | 0.161 | S | C | . | . | trans | -100.1 | -30.3 | -174.6 | -176 | 175.9 | 169.4 | -176.3 | -2.4 | 113.7 | Y95 | Y95-R97 HydrophobicContact CE1-CB 3.93Š| ||
| 98 | D | 94.6 | Very high | 97.3 | Very high | 60 Ų | 60 | 29 Ų | 29 | 32% | 0.321 | 14% | 0.135 | S | C | . | . | trans | -97.6 | 133.7 | -172.8 | -174.8 | -83.5 | 0 | 0 | 0 | 111.3 | V67 L100 V101 L102 | V67-D98 HydrophobicContact CG1-CB 4.47Å; D98-L100 WeakPolarHBondContact OD1-CA 3.37Å; D98-L100 WeakPolarHBondContact OD1-CB 3.44Å; D98-L100 PolarHBondContact OD1-N 2.98Å; D98-V101 HydrophobicContact CB-CB 3.98Å; D98-V101 HydrophobicContact CB-CG2 3.77Å; D98-V101 PolarHBondContact OD1-N 3.35Å; D98-L102 PolarHBondContact O-N 3.29Å | ||
| 99 | Q | 95.5 | Very high | 97.3 | Very high | 41 Ų | 41 | 29 Ų | 29 | 19% | 0.192 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | -177.3 | 177.2 | 64.5 | 38.6 | 0 | 0 | 112 | V101 L102 E103 S138 L139 T142 | Q99-V101 VanDerWaalsContact C-N 3.32Å; Q99-V101 PolarHBondContact O-N 3.24Å; Q99-L102 WeakPolarHBondContact O-CB 3.19Å; Q99-L102 PolarHBondContact O-N 2.79Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 2.84Å; Q99-E103 WeakPolarHBondContact O-CG 3.37Å; Q99-E103 PolarHBondContact O-N 3.43Å; Q99-S138 PolarHBondContact OE1-O 2.94Å; Q99-L139 HydrophobicContact CB-CD1 4.43Å; Q99-T142 PolarHBondContact NE2-OG1 3.44Å |
| 100 | L | 97 | Very high | 97.4 | Very high | 84 Ų | 84 | 28.9 Ų | 28.9 | 44% | 0.44 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -69.5 | -34.9 | -177.7 | -63 | 177.3 | 0 | 0 | 0 | 110.8 | I70 D98 E104 | I70-L100 HydrophobicContact CB-CB 4.18Å; I70-L100 HydrophobicContact CD1-CB 3.88Å; I70-L100 HydrophobicContact CG2-CD1 4.46Å; D98-L100 WeakPolarHBondContact OD1-CA 3.37Å; D98-L100 WeakPolarHBondContact OD1-CB 3.44Å; D98-L100 PolarHBondContact OD1-N 2.98Å; L100-E104 WeakPolarHBondContact O-CB 3.49Å; L100-E104 PolarHBondContact O-N 3.18Å |
| 101 | V | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L68 L73 V96 D98 Q99 E104 I105 | L68-V101 VanDerWaalsContact O-CG2 3.29Å; L68-V101 WeakPolarHBondContact O-CG2 3.24Å; L73-V101 HydrophobicContact CD2-CG1 3.87Å; V96-V101 HydrophobicContact CG1-CB 4.2Å; V96-V101 HydrophobicContact CG1-CG1 3.85Å; D98-V101 HydrophobicContact CB-CB 3.98Å; D98-V101 HydrophobicContact CB-CG2 3.77Å; D98-V101 PolarHBondContact OD1-N 3.35Å; Q99-V101 VanDerWaalsContact C-N 3.32Å; Q99-V101 PolarHBondContact O-N 3.24Å; V101-E104 PolarHBondContact O-N 3.09Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.29Å; V101-I105 PolarHBondContact O-N 2.72Å |
| 102 | L | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.3 | -169.4 | 66.5 | 0 | 0 | 0 | 112.1 | V96 D98 Q99 E104 I105 C106 L139 T142 Y143 L147 | V96-L102 HydrophobicContact CB-CD1 4.17Å; V96-L102 HydrophobicContact CG1-CB 4.09Å; V96-L102 HydrophobicContact CG1-CD1 4.23Å; V96-L102 HydrophobicContact CG2-CD1 4.42Å; D98-L102 PolarHBondContact O-N 3.29Å; Q99-L102 WeakPolarHBondContact O-CB 3.19Å; Q99-L102 PolarHBondContact O-N 2.79Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-I105 WeakPolarHBondContact O-CB 3.14Å; L102-I105 PolarHBondContact O-N 3.23Å; L102-C106 PolarHBondContact O-N 3.29Å; L102-C106 VanDerWaalsContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 3.05Å; L102-L139 HydrophobicContact CD2-CB 4Å; L102-L139 HydrophobicContact CD2-CD2 4.06Å; L102-L139 HydrophobicContact CD2-CG 3.89Å; L102-T142 HydrophobicContact CB-CG2 4.43Å; L102-T142 HydrophobicContact CD2-CG2 3.76Å; L102-T142 HydrophobicContact CG-CG2 3.79Å; L102-Y143 HydrophobicContact CD1-CE1 4.13Å; L102-Y143 HydrophobicContact CD1-CE2 4.35Å; L102-Y143 HydrophobicContact CD2-CD2 3.83Å; L102-Y143 HydrophobicContact CD2-CE2 3.78Å; L102-Y143 HydrophobicContact CD2-CG 4.3Å; L102-L147 HydrophobicContact CD1-CD2 3.73Å |
| 103 | E | 97.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 34.6 Ų | 34.6 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63 | -38.9 | 174.3 | -70.6 | 168.1 | -166.4 | 0 | 0 | 111.9 | Q99 C106 K107 T142 | Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 2.84Å; Q99-E103 WeakPolarHBondContact O-CG 3.37Å; Q99-E103 PolarHBondContact O-N 3.43Å; E103-C106 WeakPolarHBondContact O-CB 3.24Å; E103-C106 PolarHBondContact O-N 3.25Å; E103-K107 PolarHBondContact O-N 3.1Å; E103-T142 HydrophobicContact CG-CG2 4.23Å |
| 104 | E | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | 176.1 | -165.8 | 66.7 | -166.7 | 0 | 0 | 112.1 | I70 L73 K74 L100 V101 L102 C106 K107 I108 | I70-E104 HydrophobicContact CD1-CB 4.39Å; I70-E104 HydrophobicContact CG1-CB 4.41Å; L73-E104 HydrophobicContact CD2-CB 3.76Å; L73-E104 HydrophobicContact CD2-CG 3.85Å; L73-E104 HydrophobicContact CG-CG 4.29Å; K74-E104 VanDerWaalsContact CE-OE1 3.22Å; K74-E104 WeakPolarHBondContact CE-OE1 2.97Å; K74-E104 VanDerWaalsContact CE-OE2 3.22Å; K74-E104 WeakPolarHBondContact CE-OE2 3.27Å; K74-E104 HydrophobicContact CG-CG 4.05Å; K74-E104 WeakPolarHBondContact CG-OE1 2.94Å; K74-E104 IonicContact NZ-OE2 3.41Å; L100-E104 WeakPolarHBondContact O-CB 3.49Å; L100-E104 PolarHBondContact O-N 3.18Å; V101-E104 PolarHBondContact O-N 3.09Å; L102-E104 VanDerWaalsContact C-N 3.33Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 2.98Å; E104-K107 WeakPolarHBondContact O-CB 3.21Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.08Å; E104-K107 WeakPolarHBondContact OE2-CD 3.32Å; E104-K107 IonicContact OE2-NZ 2.72Å; E104-K107 PolarHBondContact OE2-NZ 3.15Å; E104-I108 WeakPolarHBondContact O-CG1 3Å; E104-I108 PolarHBondContact O-N 3.3Å |
| 105 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 171.1 | -71.4 | 165.5 | 0 | 0 | 0 | 110.5 | I21 L73 T93 V96 V101 L102 K107 I108 I109 L147 | I21-I105 HydrophobicContact CB-CD1 4.44Å; I21-I105 HydrophobicContact CD1-CG1 4.12Å; I21-I105 HydrophobicContact CD1-CG2 4.48Å; I21-I105 HydrophobicContact CG2-CD1 3.6Å; I21-I105 HydrophobicContact CG2-CG1 4.03Å; L73-I105 HydrophobicContact CD2-CG1 4.06Å; T93-I105 HydrophobicContact CG2-CG2 3.76Å; V96-I105 HydrophobicContact CG1-CD1 4.25Å; V96-I105 HydrophobicContact CG2-CD1 3.53Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.29Å; V101-I105 PolarHBondContact O-N 2.72Å; L102-I105 WeakPolarHBondContact O-CB 3.14Å; L102-I105 PolarHBondContact O-N 3.23Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.23Å; I105-I108 PolarHBondContact O-N 3.37Å; I105-I109 HydrophobicContact CG2-CG1 4.27Å; I105-I109 WeakPolarHBondContact O-CG1 3.42Å; I105-I109 PolarHBondContact O-N 3.21Å; I105-L147 HydrophobicContact CG2-CD1 4.04Å |
| 106 | C | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 174.7 | -60 | 0 | 0 | 0 | 0 | 111.1 | L102 E103 E104 I109 G110 M150 | L102-C106 PolarHBondContact O-N 3.29Å; L102-C106 VanDerWaalsContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 3.05Å; E103-C106 WeakPolarHBondContact O-CB 3.24Å; E103-C106 PolarHBondContact O-N 3.25Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 2.98Å; C106-I109 PolarHBondContact O-N 3.36Å; C106-G110 PolarHBondContact O-N 3.2Å; C106-M150 HydrophobicContact CB-SD 4.16Å; C106-M150 VanDerWaalsContact O-CE 3.28Å; C106-M150 WeakPolarHBondContact O-CE 3.33Å |
| 107 | K | 98.4 | Very high | 97.2 | Very high | 120 Ų | 120 | 49.3 Ų | 49.3 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.2 | -59.9 | 177.1 | -157.4 | 153.6 | 0 | 112.5 | E103 E104 I105 G110 D111 | E103-K107 PolarHBondContact O-N 3.1Å; E104-K107 WeakPolarHBondContact O-CB 3.21Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.08Å; E104-K107 WeakPolarHBondContact OE2-CD 3.32Å; E104-K107 IonicContact OE2-NZ 2.72Å; E104-K107 PolarHBondContact OE2-NZ 3.15Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.23Å; K107-G110 PolarHBondContact O-N 3.31Å; K107-D111 PolarHBondContact O-N 2.64Å |
| 108 | I | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 176.4 | -71.9 | 169.6 | 0 | 0 | 0 | 110.6 | L19 I21 L73 Y77 E104 I105 G110 D111 L112 | L19-I108 HydrophobicContact CD2-CG2 4.11Å; I21-I108 HydrophobicContact CD1-CG2 4.36Å; L73-I108 HydrophobicContact CD1-CD1 3.72Å; L73-I108 HydrophobicContact CD2-CD1 4.06Å; L73-I108 HydrophobicContact CG-CD1 3.92Å; Y77-I108 HydrophobicContact CD1-CD1 4.48Å; Y77-I108 HydrophobicContact CD1-CG1 3.91Å; Y77-I108 HydrophobicContact CD2-CB 4.44Å; Y77-I108 HydrophobicContact CD2-CD1 3.97Å; Y77-I108 HydrophobicContact CD2-CG1 3.84Å; Y77-I108 HydrophobicContact CD2-CG2 3.85Å; Y77-I108 HydrophobicContact CE1-CG1 4.12Å; Y77-I108 HydrophobicContact CE2-CB 4.24Å; Y77-I108 HydrophobicContact CE2-CG1 4.06Å; Y77-I108 HydrophobicContact CE2-CG2 3.48Å; Y77-I108 VanDerWaalsContact CE2-CG2 3.48Å; Y77-I108 HydrophobicContact CG-CD1 3.91Å; Y77-I108 HydrophobicContact CG-CG1 3.77Å; E104-I108 WeakPolarHBondContact O-CG1 3Å; E104-I108 PolarHBondContact O-N 3.3Å; I105-I108 PolarHBondContact O-N 3.37Å; I108-G110 PolarHBondContact O-N 3.33Å; I108-D111 PolarHBondContact O-N 3.08Å; I108-L112 HydrophobicContact CG2-CD1 3.95Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.41Å; I108-L112 PolarHBondContact O-N 3.33Å |
| 109 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 177.8 | -60.2 | -58.7 | 0 | 0 | 0 | 110.8 | C91 I105 C106 R113 Y121 M150 | C91-I109 HydrophobicContact CB-CD1 3.58Å; I105-I109 HydrophobicContact CG2-CG1 4.27Å; I105-I109 WeakPolarHBondContact O-CG1 3.42Å; I105-I109 PolarHBondContact O-N 3.21Å; C106-I109 PolarHBondContact O-N 3.36Å; I109-R113 VanDerWaalsContact O-CB 3.29Å; I109-R113 WeakPolarHBondContact O-CB 3.38Å; I109-R113 PolarHBondContact O-N 3.11Å; I109-Y121 HydrophobicContact CD1-CD2 4.2Å; I109-Y121 HydrophobicContact CD1-CE2 4.27Å; I109-Y121 HydrophobicContact CD1-CG 4.47Å; I109-Y121 HydrophobicContact CG1-CE1 4.33Å; I109-Y121 HydrophobicContact CG2-CD1 3.72Å; I109-Y121 HydrophobicContact CG2-CE1 4.18Å; I109-Y121 HydrophobicContact CG2-CG 4.15Å; I109-M150 HydrophobicContact CB-CE 3.93Å; I109-M150 HydrophobicContact CG2-CB 4.41Å; I109-M150 HydrophobicContact CG2-CE 3.86Å |
| 110 | G | 98.2 | Very high | 97.4 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C106 K107 I108 R113 G114 | C106-G110 PolarHBondContact O-N 3.2Å; K107-G110 PolarHBondContact O-N 3.31Å; I108-G110 PolarHBondContact O-N 3.33Å; G110-R113 PolarHBondContact O-N 2.86Å; G110-G114 PolarHBondContact O-N 2.95Å |
| 111 | D | 98.2 | Very high | 97.5 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.6 | -178.8 | 42.7 | 0 | 0 | 0 | 111.6 | Y77 K107 I108 R113 G114 R115 | Y77-D111 WeakPolarHBondContact CE1-OD2 3.21Å; Y77-D111 PolarHBondContact OH-OD2 2.67Å; K107-D111 PolarHBondContact O-N 2.64Å; I108-D111 PolarHBondContact O-N 3.08Å; D111-R113 VanDerWaalsContact C-N 3.35Å; D111-R113 PolarHBondContact O-N 2.97Å; D111-G114 WeakPolarHBondContact O-CA 3.43Å; D111-G114 PolarHBondContact O-N 3.49Å; D111-G114 VanDerWaalsContact O-N 3.09Å; D111-R115 PolarHBondContact O-N 3.25Å; D111-R115 IonicContact OD1-NE 2.66Å; D111-R115 IonicContact OD2-NE 3.73Å |
| 112 | L | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.6 | -67.3 | -179.8 | 0 | 0 | 0 | 112.3 | L19 Y77 L86 Y88 C91 I108 G114 R115 N116 L119 | L19-L112 HydrophobicContact CD2-CD1 3.75Å; Y77-L112 HydrophobicContact CE2-CD2 4.31Å; Y77-L112 HydrophobicContact CE2-CG 4.44Å; Y77-L112 WeakPolarHBondContact OH-CD2 3.39Å; L86-L112 HydrophobicContact CB-CD2 4.04Å; L86-L112 HydrophobicContact CD2-CD2 4.14Å; Y88-L112 HydrophobicContact CD2-CD1 4.01Å; Y88-L112 HydrophobicContact CD2-CD2 3.75Å; C91-L112 WeakPolarHBondContact SG-CD1 3.47Å; I108-L112 HydrophobicContact CG2-CD1 3.95Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.41Å; I108-L112 PolarHBondContact O-N 3.33Å; L112-G114 VanDerWaalsContact C-N 3.3Å; L112-G114 PolarHBondContact O-N 2.88Å; L112-R115 PolarHBondContact O-N 3.32Å; L112-N116 PolarHBondContact O-N 3.08Å; L112-L119 HydrophobicContact CB-CD2 3.69Å |
| 113 | R | 97.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 175.7 | -167.4 | 176.5 | -68.9 | -76.3 | 6.9 | 111.9 | I109 G110 D111 R115 N116 S117 L119 M150 D152 | I109-R113 VanDerWaalsContact O-CB 3.29Å; I109-R113 WeakPolarHBondContact O-CB 3.38Å; I109-R113 PolarHBondContact O-N 3.11Å; G110-R113 PolarHBondContact O-N 2.86Å; D111-R113 VanDerWaalsContact C-N 3.35Å; D111-R113 PolarHBondContact O-N 2.97Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-N116 CarbonylContact O-C 3.26Å; R113-N116 VanDerWaalsContact O-C 3.26Å; R113-S117 PolarHBondContact O-N 2.91Å; R113-L119 HydrophobicContact CB-CD2 4.25Å; R113-L119 PolarHBondContact NH1-O 3.45Å; R113-M150 PolarHBondContact NH2-O 2.88Å; R113-D152 IonicContact CZ-OD2 2.65Å; R113-D152 IonicContact NH1-OD2 3.97Å; R113-D152 IonicContact NH2-OD2 2.77Å; R113-D152 PolarHBondContact NH2-OD2 3.35Å |
| 114 | G | 97.1 | Very high | 97.4 | Very high | 70 Ų | 70 | 42 Ų | 42 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.6 | -33.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G110 D111 L112 | G110-G114 PolarHBondContact O-N 2.95Å; D111-G114 WeakPolarHBondContact O-CA 3.43Å; D111-G114 PolarHBondContact O-N 3.49Å; D111-G114 VanDerWaalsContact O-N 3.09Å; L112-G114 VanDerWaalsContact C-N 3.3Å; L112-G114 PolarHBondContact O-N 2.88Å |
| 115 | R | 96 | Very high | 97.2 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -80.2 | -41.4 | 175.4 | -69.9 | 173.9 | 175.9 | -94.5 | -2.3 | 112.9 | D111 L112 R113 | D111-R115 PolarHBondContact O-N 3.25Å; D111-R115 IonicContact OD1-NE 2.66Å; D111-R115 IonicContact OD2-NE 3.73Å; L112-R115 PolarHBondContact O-N 3.32Å; R113-R115 VanDerWaalsContact C-N 3.33Å |
| 116 | N | 96.6 | Very high | 97 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | trans | -127.5 | 99.4 | 179.5 | 179.6 | 8.3 | 0 | 0 | 0 | 110 | Y88 L112 R113 K118 L119 | Y88-N116 PolarHBondContact O-ND2 3.35Å; L112-N116 PolarHBondContact O-N 3.08Å; R113-N116 CarbonylContact O-C 3.26Å; R113-N116 VanDerWaalsContact O-C 3.26Å; N116-K118 PolarHBondContact O-N 3.13Å; N116-K118 VanDerWaalsContact O-N 3.07Å; N116-K118 WeakPolarHBondContact OD1-CA 3.46Å; N116-K118 WeakPolarHBondContact OD1-CB 3.37Å; N116-K118 PolarHBondContact OD1-N 3.39Å; N116-L119 HydrophobicContact CB-CB 4.42Å; N116-L119 VanDerWaalsContact O-CB 3.23Å; N116-L119 WeakPolarHBondContact O-CB 3.44Å; N116-L119 PolarHBondContact O-N 2.97Å; N116-L119 PolarHBondContact OD1-N 3.3Å | ||
| 117 | S | 95.6 | Very high | 96.8 | Very high | 105 Ų | 105 | 41.4 Ų | 41.4 | 73% | 0.734 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.3 | 178.5 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | R113 | R113-S117 PolarHBondContact O-N 2.91Š|
| 118 | K | 94.9 | Very high | 96.5 | Very high | 181 Ų | 181 | 35.7 Ų | 35.7 | 79% | 0.787 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9 | 174.6 | -59.3 | -178.2 | -179.6 | 177.4 | 0 | 113.2 | N116 F120 | N116-K118 PolarHBondContact O-N 3.13Å; N116-K118 VanDerWaalsContact O-N 3.07Å; N116-K118 WeakPolarHBondContact OD1-CA 3.46Å; N116-K118 WeakPolarHBondContact OD1-CB 3.37Å; N116-K118 PolarHBondContact OD1-N 3.39Å; K118-F120 PolarHBondContact O-N 2.91Å |
| 119 | L | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -53.3 | 124.5 | 176.2 | -177.6 | 76.4 | 0 | 0 | 0 | 109.9 | Y88 L112 R113 N116 | Y88-L119 WeakPolarHBondContact O-CD1 3.35Å; L112-L119 HydrophobicContact CB-CD2 3.69Å; R113-L119 HydrophobicContact CB-CD2 4.25Å; R113-L119 PolarHBondContact NH1-O 3.45Å; N116-L119 HydrophobicContact CB-CB 4.42Å; N116-L119 VanDerWaalsContact O-CB 3.23Å; N116-L119 WeakPolarHBondContact O-CB 3.44Å; N116-L119 PolarHBondContact O-N 2.97Å; N116-L119 PolarHBondContact OD1-N 3.3Å | ||
| 120 | F | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.6 | 176.7 | -170.7 | -96.6 | 0 | 0 | 0 | 110.6 | T89 H90 C91 K118 V122 D152 I153 L230 | T89-F120 PolarHBondContact O-N 3.1Å; H90-F120 CarbonylContact C-O 3.55Å; H90-F120 WeakPolarHBondContact CA-O 3.32Å; H90-F120 AromaticContact CD2-CD1 4Å; C91-F120 PolarHBondContact N-O 3.41Å; K118-F120 PolarHBondContact O-N 2.91Å; F120-V122 HydrophobicContact CD1-CG2 4.07Å; F120-V122 HydrophobicContact CE1-CG2 3.68Å; F120-D152 HydrophobicContact CD2-CB 3.68Å; F120-D152 HydrophobicContact CE2-CB 3.49Å; F120-D152 VanDerWaalsContact CE2-CB 3.49Å; F120-D152 HydrophobicContact CG-CB 4.37Å; F120-D152 HydrophobicContact CZ-CB 4.05Å; F120-I153 HydrophobicContact CE1-CG2 3.89Å; F120-I153 HydrophobicContact CZ-CB 4.45Å; F120-I153 HydrophobicContact CZ-CG2 3.77Å; F120-L230 HydrophobicContact CE1-CB 4.26Å; F120-L230 HydrophobicContact CE1-CD1 4.03Å; F120-L230 HydrophobicContact CZ-CB 4.26Å; F120-L230 HydrophobicContact CZ-CD1 3.8Å |
| 121 | Y | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.7 | -175.3 | 175.9 | -144.5 | 0 | 0 | 0 | 112.3 | C91 T93 I109 C123 L147 M150 A151 D152 I153 | C91-Y121 HydrophobicContact CB-CD2 3.73Å; C91-Y121 HydrophobicContact CB-CG 4.37Å; T93-Y121 HydrophobicContact CG2-CE2 3.58Å; T93-Y121 WeakPolarHBondContact CG2-OH 3.41Å; T93-Y121 WeakPolarHBondContact OG1-CE2 3.47Å; T93-Y121 PolarHBondContact OG1-OH 2.63Å; I109-Y121 HydrophobicContact CD1-CD2 4.2Å; I109-Y121 HydrophobicContact CD1-CE2 4.27Å; I109-Y121 HydrophobicContact CD1-CG 4.47Å; I109-Y121 HydrophobicContact CG1-CE1 4.33Å; I109-Y121 HydrophobicContact CG2-CD1 3.72Å; I109-Y121 HydrophobicContact CG2-CE1 4.18Å; I109-Y121 HydrophobicContact CG2-CG 4.15Å; Y121-C123 HydrophobicContact CE1-CB 4.12Å; Y121-C123 HydrophobicContact CE2-CB 4.18Å; Y121-C123 WeakPolarHBondContact OH-CB 3.26Å; Y121-C123 PolarHBondContact OH-SG 2.94Å; Y121-C123 VanDerWaalsContact OH-SG 3.41Å; Y121-L147 HydrophobicContact CE1-CD1 4.1Å; Y121-L147 HydrophobicContact CE1-CG 4.34Å; Y121-L147 WeakPolarHBondContact OH-CD1 3.48Å; Y121-L147 WeakPolarHBondContact OH-CD2 3.27Å; Y121-L147 WeakPolarHBondContact OH-CG 3.42Å; Y121-M150 HydrophobicContact CD1-CB 4.3Å; Y121-M150 WeakPolarHBondContact CD1-O 3.47Å; Y121-M150 HydrophobicContact CE1-CB 4.28Å; Y121-A151 VanDerWaalsContact CD1-CA 3.47Å; Y121-A151 HydrophobicContact CD1-CB 3.97Å; Y121-A151 HydrophobicContact CE1-CB 4.03Å; Y121-D152 PolarHBondContact N-OD2 2.92Å; Y121-D152 PolarHBondContact O-N 3.49Å; Y121-I153 PolarHBondContact O-N 2.89Å |
| 122 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.7 | 170.3 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | C91 L92 T93 F120 I153 T155 L227 | C91-V122 PolarHBondContact O-N 3.4Å; L92-V122 WeakPolarHBondContact CA-O 3.14Å; L92-V122 HydrophobicContact CD1-CB 3.72Å; L92-V122 HydrophobicContact CD1-CG1 3.59Å; T93-V122 PolarHBondContact N-O 3.17Å; T93-V122 VanDerWaalsContact N-O 3.09Å; F120-V122 HydrophobicContact CD1-CG2 4.07Å; F120-V122 HydrophobicContact CE1-CG2 3.68Å; V122-I153 HydrophobicContact CB-CG2 4.09Å; V122-I153 HydrophobicContact CG1-CG2 4.08Å; V122-I153 HydrophobicContact CG2-CG2 3.64Å; V122-T155 HydrophobicContact CG1-CG2 4.36Å; V122-L227 HydrophobicContact CG2-CB 4Å; V122-L227 HydrophobicContact CG2-CD1 3.96Å; V122-L227 HydrophobicContact CG2-CG 4.07Å |
| 123 | C | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.9 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | Y121 P125 A151 I153 I154 T155 | Y121-C123 HydrophobicContact CE1-CB 4.12Å; Y121-C123 HydrophobicContact CE2-CB 4.18Å; Y121-C123 WeakPolarHBondContact OH-CB 3.26Å; Y121-C123 PolarHBondContact OH-SG 2.94Å; Y121-C123 VanDerWaalsContact OH-SG 3.41Å; C123-P125 WeakPolarHBondContact O-CD 3.45Å; C123-A151 HydrophobicContact CB-CB 3.69Å; C123-I153 PolarHBondContact N-O 3.26Å; C123-I154 HydrophobicContact CB-CG2 3.82Å; C123-I154 WeakPolarHBondContact O-CA 3.32Å; C123-T155 PolarHBondContact O-N 2.96Å; C123-T155 VanDerWaalsContact O-N 3.1Å |
| 124 | D | 96.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -91.5 | 103.4 | 164.4 | -163.8 | -18 | 0 | 0 | 0 | 108.5 | T93 G94 V126 T155 S223 | T93-D124 VanDerWaalsContact O-CB 3.26Å; T93-D124 WeakPolarHBondContact O-CB 3.44Å; T93-D124 PolarHBondContact O-N 3.14Å; G94-D124 WeakPolarHBondContact CA-O 3.47Å; D124-V126 HydrophobicContact CB-CG2 4.19Å; D124-V126 PolarHBondContact O-N 3.09Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.39Å; D124-T155 VanDerWaalsContact CA-OG1 3.3Å; D124-T155 WeakPolarHBondContact CA-OG1 3.36Å; D124-T155 WeakPolarHBondContact CB-OG1 3.48Å; D124-T155 VanDerWaalsContact CG-OG1 3.27Å; D124-T155 PolarHBondContact OD1-OG1 3.11Å; D124-S223 PolarHBondContact OD2-OG 3.33Å | ||
| 125 | P | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -82.4 | 57.1 | -168.7 | 36.8 | -37.2 | 0 | 0 | 0 | 111.3 | C123 M127 Y143 P156 E160 L164 | C123-P125 WeakPolarHBondContact O-CD 3.45Å; P125-M127 HydrophobicContact CB-CE 4.36Å; P125-M127 WeakPolarHBondContact O-CG 3.33Å; P125-M127 PolarHBondContact O-N 2.75Å; P125-Y143 HydrophobicContact CB-CD1 3.95Å; P125-Y143 HydrophobicContact CB-CE1 4.11Å; P125-P156 HydrophobicContact CG-CB 3.98Å; P125-E160 HydrophobicContact CG-CB 4.43Å; P125-E160 VanDerWaalsContact O-CD 3.25Å; P125-E160 WeakPolarHBondContact O-CG 3.42Å; P125-L164 HydrophobicContact CB-CD1 4.39Å; P125-L164 HydrophobicContact CG-CD1 4.19Å | ||
| 126 | V | 94.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 45 Ų | 45 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | trans | -62.3 | 96.5 | -171 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | Y95 D124 Y134 E160 | Y95-V126 HydrophobicContact CD2-CG1 3.83Å; Y95-V126 HydrophobicContact CG-CG1 4.47Å; D124-V126 HydrophobicContact CB-CG2 4.19Å; D124-V126 PolarHBondContact O-N 3.09Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.39Å; V126-Y134 HydrophobicContact CG1-CD2 4.47Å; V126-E160 VanDerWaalsContact CA-OE1 3.27Å; V126-E160 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 127 | M | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -119.3 | -27.8 | -176.9 | -74.8 | -176 | -71.1 | 0 | 0 | 112.5 | P125 F133 Y134 V135 L140 Y143 E160 V163 L164 | P125-M127 HydrophobicContact CB-CE 4.36Å; P125-M127 WeakPolarHBondContact O-CG 3.33Å; P125-M127 PolarHBondContact O-N 2.75Å; M127-F133 HydrophobicContact CB-CD1 4.1Å; M127-F133 HydrophobicContact CB-CE1 4.12Å; M127-F133 CarbonylContact O-C 3.45Å; M127-F133 VanDerWaalsContact O-CA 3.31Å; M127-F133 WeakPolarHBondContact O-CA 3.32Å; M127-F133 HydrophobicContact SD-CE1 4.28Å; M127-Y134 PolarHBondContact O-N 2.86Å; M127-V135 HydrophobicContact CB-CG2 4.4Å; M127-V135 HydrophobicContact CG-CG2 4.46Å; M127-L140 HydrophobicContact CE-CD1 3.94Å; M127-L140 HydrophobicContact SD-CB 4.18Å; M127-L140 HydrophobicContact SD-CD1 3.75Å; M127-Y143 HydrophobicContact CG-CD2 3.53Å; M127-Y143 HydrophobicContact CG-CE2 3.54Å; M127-Y143 HydrophobicContact CG-CG 4.36Å; M127-Y143 HydrophobicContact SD-CD2 3.51Å; M127-Y143 VanDerWaalsContact SD-CD2 3.51Å; M127-Y143 HydrophobicContact SD-CE2 4.17Å; M127-Y143 HydrophobicContact SD-CG 4.03Å; M127-E160 HydrophobicContact CB-CG 4.28Å; M127-E160 HydrophobicContact CE-CB 4.44Å; M127-E160 HydrophobicContact CE-CG 4.26Å; M127-E160 PolarHBondContact N-OE1 3.03Å; M127-V163 HydrophobicContact CE-CG2 3.77Å; M127-L164 HydrophobicContact CE-CD1 4.33Å; M127-L164 HydrophobicContact CE-CD2 3.93Å; M127-L164 HydrophobicContact CE-CG 3.89Å | ||
| 128 | G | 90.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E132 N157 F159 | G128-E132 CarbonylContact C-O 3.46Å; G128-E132 WeakPolarHBondContact CA-O 3.49Å; G128-N157 PolarHBondContact O-ND2 2.97Å; G128-F159 WeakPolarHBondContact O-CD1 3.33Å |
| 129 | D | 86.8 | Confident | 92.5 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164 | 177.1 | -167.1 | 15.4 | 0 | 0 | 0 | 109 | G131 E132 Y134 | D129-G131 PolarHBondContact O-N 2.65Å; D129-G131 VanDerWaalsContact O-N 3.13Å; D129-E132 PolarHBondContact N-O 3.49Å; D129-E132 PolarHBondContact O-N 2.82Å; D129-Y134 HydrophobicContact CB-CE1 4.36Å; D129-Y134 HydrophobicContact CB-CE2 4.21Å; D129-Y134 WeakPolarHBondContact CB-OH 3.49Å |
| 130 | N | 83.6 | Confident | 92.5 | Very high | 63 Ų | 63 | 41 Ų | 41 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 36.4 | 177.2 | -52.7 | -93.9 | 0 | 0 | 0 | 114.2 | E132 E195 R214 | N130-E132 VanDerWaalsContact C-N 3.34Å; N130-E132 PolarHBondContact O-N 3.48Å; N130-E195 WeakPolarHBondContact CA-OE1 3.18Å; N130-R214 PolarHBondContact ND2-NH1 2.86Å; N130-R214 VanDerWaalsContact ND2-NH1 3.14Å; N130-R214 PolarHBondContact OD1-NH1 2.87Å; N130-R214 VanDerWaalsContact OD1-NH1 3.17Å; N130-R214 PolarHBondContact OD1-NH2 3.18Å |
| 131 | G | 85.7 | Confident | 92.5 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -2.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | D129 F159 | D129-G131 PolarHBondContact O-N 2.65Å; D129-G131 VanDerWaalsContact O-N 3.13Å; G131-F159 VanDerWaalsContact CA-CD2 3.41Å; G131-F159 WeakPolarHBondContact O-CE2 3.46Å |
| 132 | E | 89.2 | Confident | 92.5 | Very high | 147 Ų | 147 | 43.4 Ų | 43.4 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.8 | -176 | -63.2 | -168.2 | 162.3 | 0 | 0 | 112.6 | G128 D129 N130 | G128-E132 CarbonylContact C-O 3.46Å; G128-E132 WeakPolarHBondContact CA-O 3.49Å; D129-E132 PolarHBondContact N-O 3.49Å; D129-E132 PolarHBondContact O-N 2.82Å; N130-E132 VanDerWaalsContact C-N 3.34Å; N130-E132 PolarHBondContact O-N 3.48Å |
| 133 | F | 91.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.3 | 171.6 | -77.6 | -92.8 | 0 | 0 | 0 | 110.7 | M127 V135 K137 L140 F159 V163 | M127-F133 HydrophobicContact CB-CD1 4.1Å; M127-F133 HydrophobicContact CB-CE1 4.12Å; M127-F133 CarbonylContact O-C 3.45Å; M127-F133 VanDerWaalsContact O-CA 3.31Å; M127-F133 WeakPolarHBondContact O-CA 3.32Å; M127-F133 HydrophobicContact SD-CE1 4.28Å; F133-V135 WeakPolarHBondContact CB-O 3.37Å; F133-K137 HydrophobicContact CD1-CG 4.41Å; F133-K137 HydrophobicContact CD2-CD 4.21Å; F133-K137 HydrophobicContact CD2-CG 3.66Å; F133-K137 HydrophobicContact CE2-CD 4.22Å; F133-K137 HydrophobicContact CE2-CG 3.83Å; F133-K137 HydrophobicContact CG-CG 3.97Å; F133-K137 HydrophobicContact CZ-CG 4.29Å; F133-L140 HydrophobicContact CZ-CD2 4.36Å; F133-F159 HydrophobicContact CD1-CE1 4.28Å; F133-F159 HydrophobicContact CD1-CZ 4.43Å; F133-F159 HydrophobicContact CD2-CE1 4.27Å; F133-F159 AromaticContact CD2-CZ 3.63Å; F133-F159 HydrophobicContact CD2-CZ 3.63Å; F133-F159 HydrophobicContact CE1-CE1 4.36Å; F133-F159 HydrophobicContact CE1-CZ 4.46Å; F133-F159 HydrophobicContact CE2-CE1 4.34Å; F133-F159 AromaticContact CE2-CZ 3.66Å; F133-F159 HydrophobicContact CE2-CZ 3.66Å; F133-F159 HydrophobicContact CG-CE1 4.23Å; F133-F159 HydrophobicContact CG-CZ 4.03Å; F133-F159 HydrophobicContact CZ-CE1 4.39Å; F133-F159 HydrophobicContact CZ-CZ 4.09Å; F133-V163 HydrophobicContact CE2-CG1 4.2Å; F133-V163 HydrophobicContact CZ-CB 4.21Å; F133-V163 HydrophobicContact CZ-CG1 3.89Å; F133-V163 HydrophobicContact CZ-CG2 4.35Å |
| 134 | Y | 85.5 | Confident | 92.4 | Very high | 121 Ų | 121 | 45 Ų | 45 | 48% | 0.475 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -81.1 | -22.2 | 168.1 | -57 | -29.8 | 0 | 0 | 0 | 112.9 | V126 M127 D129 | V126-Y134 HydrophobicContact CG1-CD2 4.47Å; M127-Y134 PolarHBondContact O-N 2.86Å; D129-Y134 HydrophobicContact CB-CE1 4.36Å; D129-Y134 HydrophobicContact CB-CE2 4.21Å; D129-Y134 WeakPolarHBondContact CB-OH 3.49Å |
| 135 | V | 88.7 | Confident | 92.4 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -121.9 | 175.5 | -173.9 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | Y95 M127 F133 K137 L139 | Y95-V135 HydrophobicContact CE2-CG1 3.82Å; M127-V135 HydrophobicContact CB-CG2 4.4Å; M127-V135 HydrophobicContact CG-CG2 4.46Å; F133-V135 WeakPolarHBondContact CB-O 3.37Å; V135-K137 PolarHBondContact O-N 2.79Å; V135-L139 HydrophobicContact CB-CD2 4.12Å; V135-L139 HydrophobicContact CG2-CB 4.37Å; V135-L139 HydrophobicContact CG2-CD2 3.97Å |
| 136 | S | 92.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | trans | -60.9 | 136.1 | 173.9 | 175 | 0 | 0 | 0 | 0 | 110.6 | S138 L139 | S136-S138 WeakPolarHBondContact CB-OG 3.45Å; S136-S138 PolarHBondContact O-N 3.38Å; S136-S138 PolarHBondContact OG-N 3.07Å; S136-S138 PolarHBondContact OG-OG 2.86Å; S136-L139 WeakPolarHBondContact O-CD1 3.32Å; S136-L139 PolarHBondContact O-N 3.45Å; S136-L139 VanDerWaalsContact O-N 3.09Å | ||
| 137 | K | 93.6 | Very high | 92.6 | Very high | 151 Ų | 151 | 53.4 Ų | 53.4 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.7 | 173.8 | -69.2 | -174.7 | 178.3 | 179 | 0 | 113.1 | F133 V135 L139 L140 | F133-K137 HydrophobicContact CD1-CG 4.41Å; F133-K137 HydrophobicContact CD2-CD 4.21Å; F133-K137 HydrophobicContact CD2-CG 3.66Å; F133-K137 HydrophobicContact CE2-CD 4.22Å; F133-K137 HydrophobicContact CE2-CG 3.83Å; F133-K137 HydrophobicContact CG-CG 3.97Å; F133-K137 HydrophobicContact CZ-CG 4.29Å; V135-K137 PolarHBondContact O-N 2.79Å; K137-L139 PolarHBondContact O-N 3.1Å; K137-L140 WeakPolarHBondContact O-CB 3.47Å; K137-L140 PolarHBondContact O-N 2.84Å |
| 138 | S | 93.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.4 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | Q99 S136 L140 T141 | Q99-S138 PolarHBondContact OE1-O 2.94Å; S136-S138 WeakPolarHBondContact CB-OG 3.45Å; S136-S138 PolarHBondContact O-N 3.38Å; S136-S138 PolarHBondContact OG-N 3.07Å; S136-S138 PolarHBondContact OG-OG 2.86Å; S138-L140 PolarHBondContact O-N 2.63Å; S138-T141 PolarHBondContact O-N 2.93Å |
| 139 | L | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -26.3 | -179 | -81.9 | 74 | 0 | 0 | 0 | 112.2 | V96 Q99 L102 V135 S136 K137 T141 T142 Y143 | V96-L139 WeakPolarHBondContact O-CD2 3.48Å; Q99-L139 HydrophobicContact CB-CD1 4.43Å; L102-L139 HydrophobicContact CD2-CB 4Å; L102-L139 HydrophobicContact CD2-CD2 4.06Å; L102-L139 HydrophobicContact CD2-CG 3.89Å; V135-L139 HydrophobicContact CB-CD2 4.12Å; V135-L139 HydrophobicContact CG2-CB 4.37Å; V135-L139 HydrophobicContact CG2-CD2 3.97Å; S136-L139 WeakPolarHBondContact O-CD1 3.32Å; S136-L139 PolarHBondContact O-N 3.45Å; S136-L139 VanDerWaalsContact O-N 3.09Å; K137-L139 PolarHBondContact O-N 3.1Å; L139-T141 PolarHBondContact O-N 3.18Å; L139-T142 PolarHBondContact O-N 3.29Å; L139-T142 VanDerWaalsContact O-N 3.15Å; L139-Y143 HydrophobicContact CB-CD2 4.05Å; L139-Y143 HydrophobicContact CB-CE2 4.1Å; L139-Y143 HydrophobicContact CD2-CE2 4.23Å; L139-Y143 WeakPolarHBondContact O-CD2 3.32Å; L139-Y143 PolarHBondContact O-N 2.83Å |
| 140 | L | 96.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -37.5 | 179.8 | 176.4 | 61.3 | 0 | 0 | 0 | 111.9 | M127 F133 K137 S138 A144 V163 L164 | M127-L140 HydrophobicContact CE-CD1 3.94Å; M127-L140 HydrophobicContact SD-CB 4.18Å; M127-L140 HydrophobicContact SD-CD1 3.75Å; F133-L140 HydrophobicContact CZ-CD2 4.36Å; K137-L140 WeakPolarHBondContact O-CB 3.47Å; K137-L140 PolarHBondContact O-N 2.84Å; S138-L140 PolarHBondContact O-N 2.63Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 3.18Å; L140-V163 HydrophobicContact CD1-CB 4.19Å; L140-V163 HydrophobicContact CD1-CG2 3.93Å; L140-V163 HydrophobicContact CD2-CB 4.27Å; L140-L164 HydrophobicContact CD1-CD2 4.05Å |
| 141 | T | 96.3 | Very high | 94.2 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 179.7 | -57 | 0 | 0 | 0 | 0 | 111 | S138 L139 A144 N145 | S138-T141 PolarHBondContact O-N 2.93Å; L139-T141 PolarHBondContact O-N 3.18Å; T141-A144 PolarHBondContact O-N 3.22Å; T141-N145 WeakPolarHBondContact CG2-ND2 3.46Å; T141-N145 VanDerWaalsContact O-CB 3.23Å; T141-N145 WeakPolarHBondContact O-CB 3.24Å; T141-N145 PolarHBondContact O-N 2.94Å |
| 142 | T | 97 | Very high | 94.7 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70 | -39.4 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | Q99 L102 E103 L139 E146 L147 | Q99-T142 PolarHBondContact NE2-OG1 3.44Å; L102-T142 HydrophobicContact CB-CG2 4.43Å; L102-T142 HydrophobicContact CD2-CG2 3.76Å; L102-T142 HydrophobicContact CG-CG2 3.79Å; E103-T142 HydrophobicContact CG-CG2 4.23Å; L139-T142 PolarHBondContact O-N 3.29Å; L139-T142 VanDerWaalsContact O-N 3.15Å; T142-E146 HydrophobicContact CG2-CB 4.29Å; T142-E146 WeakPolarHBondContact O-CA 3.33Å; T142-E146 WeakPolarHBondContact O-CB 3.41Å; T142-E146 PolarHBondContact O-N 2.84Å; T142-E146 PolarHBondContact OG1-OE1 2.52Å; T142-L147 PolarHBondContact O-N 3.06Å |
| 143 | Y | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -57.4 | -53.5 | 171.4 | -85.4 | -67.6 | 0 | 0 | 0 | 111.3 | L102 P125 M127 L139 L147 V148 | L102-Y143 HydrophobicContact CD1-CE1 4.13Å; L102-Y143 HydrophobicContact CD1-CE2 4.35Å; L102-Y143 HydrophobicContact CD2-CD2 3.83Å; L102-Y143 HydrophobicContact CD2-CE2 3.78Å; L102-Y143 HydrophobicContact CD2-CG 4.3Å; P125-Y143 HydrophobicContact CB-CD1 3.95Å; P125-Y143 HydrophobicContact CB-CE1 4.11Å; M127-Y143 HydrophobicContact CG-CD2 3.53Å; M127-Y143 HydrophobicContact CG-CE2 3.54Å; M127-Y143 HydrophobicContact CG-CG 4.36Å; M127-Y143 HydrophobicContact SD-CD2 3.51Å; M127-Y143 VanDerWaalsContact SD-CD2 3.51Å; M127-Y143 HydrophobicContact SD-CE2 4.17Å; M127-Y143 HydrophobicContact SD-CG 4.03Å; L139-Y143 HydrophobicContact CB-CD2 4.05Å; L139-Y143 HydrophobicContact CB-CE2 4.1Å; L139-Y143 HydrophobicContact CD2-CE2 4.23Å; L139-Y143 WeakPolarHBondContact O-CD2 3.32Å; L139-Y143 PolarHBondContact O-N 2.83Å; Y143-L147 HydrophobicContact CD1-CB 4.36Å; Y143-L147 HydrophobicContact CD1-CD2 3.78Å; Y143-L147 HydrophobicContact CE1-CD2 3.59Å; Y143-V148 WeakPolarHBondContact O-CB 3.43Å; Y143-V148 VanDerWaalsContact O-CG2 3.24Å; Y143-V148 WeakPolarHBondContact O-CG2 3.11Å; Y143-V148 PolarHBondContact O-N 3.46Å |
| 144 | A | 96.7 | Very high | 95.1 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -69.3 | -38.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L140 T141 P149 L164 | L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 3.18Å; T141-A144 PolarHBondContact O-N 3.22Å; A144-P149 WeakPolarHBondContact O-CD 3.13Å; A144-L164 HydrophobicContact CB-CD2 4.12Å |
| 145 | N | 96.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 37.8 Ų | 37.8 | 62% | 0.615 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -99.6 | -19.9 | -170.5 | -62.1 | -17.3 | 0 | 0 | 0 | 114.2 | T141 | T141-N145 WeakPolarHBondContact CG2-ND2 3.46Å; T141-N145 VanDerWaalsContact O-CB 3.23Å; T141-N145 WeakPolarHBondContact O-CB 3.24Å; T141-N145 PolarHBondContact O-N 2.94Å |
| 146 | E | 96.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 37.1 Ų | 37.1 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -124.5 | -62.8 | -174.4 | -59.7 | 176 | -108.2 | 0 | 0 | 110.9 | T142 P149 M150 | T142-E146 HydrophobicContact CG2-CB 4.29Å; T142-E146 WeakPolarHBondContact O-CA 3.33Å; T142-E146 WeakPolarHBondContact O-CB 3.41Å; T142-E146 PolarHBondContact O-N 2.84Å; T142-E146 PolarHBondContact OG1-OE1 2.52Å; E146-P149 WeakPolarHBondContact O-CD 3.23Å; E146-M150 VanDerWaalsContact O-CG 3.26Å; E146-M150 WeakPolarHBondContact O-CG 3.42Å; E146-M150 PolarHBondContact O-N 3.02Å |
| 147 | L | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -72.9 | -46.6 | -168.1 | -164 | 70 | 0 | 0 | 0 | 113.8 | L102 I105 Y121 T142 Y143 M150 | L102-L147 HydrophobicContact CD1-CD2 3.73Å; I105-L147 HydrophobicContact CG2-CD1 4.04Å; Y121-L147 HydrophobicContact CE1-CD1 4.1Å; Y121-L147 HydrophobicContact CE1-CG 4.34Å; Y121-L147 WeakPolarHBondContact OH-CD1 3.48Å; Y121-L147 WeakPolarHBondContact OH-CD2 3.27Å; Y121-L147 WeakPolarHBondContact OH-CG 3.42Å; T142-L147 PolarHBondContact O-N 3.06Å; Y143-L147 HydrophobicContact CD1-CB 4.36Å; Y143-L147 HydrophobicContact CD1-CD2 3.78Å; Y143-L147 HydrophobicContact CE1-CD2 3.59Å; L147-M150 PolarHBondContact O-N 3.07Å; L147-M150 VanDerWaalsContact O-N 3.14Å |
| 148 | V | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -59.8 | -46.3 | 177 | 166 | 0 | 0 | 0 | 0 | 111.7 | Y143 M150 A151 I154 L164 | Y143-V148 WeakPolarHBondContact O-CB 3.43Å; Y143-V148 VanDerWaalsContact O-CG2 3.24Å; Y143-V148 WeakPolarHBondContact O-CG2 3.11Å; Y143-V148 PolarHBondContact O-N 3.46Å; V148-M150 PolarHBondContact O-N 3.29Å; V148-A151 WeakPolarHBondContact O-CB 3.2Å; V148-A151 PolarHBondContact O-N 3.4Å; V148-A151 VanDerWaalsContact O-N 3.11Å; V148-I154 HydrophobicContact CB-CG2 4.46Å; V148-I154 HydrophobicContact CG1-CD1 4.07Å; V148-I154 HydrophobicContact CG1-CG2 4.04Å; V148-I154 HydrophobicContact CG2-CG2 4.25Å; V148-L164 HydrophobicContact CG2-CD1 4.47Å; V148-L164 HydrophobicContact CG2-CD2 4.26Å |
| 149 | P | 97.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 26 Ų | 26 | 35% | 0.351 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -56.7 | -24.8 | 173.3 | -26 | 30.8 | 0 | 0 | 0 | 115.8 | A144 E146 A151 T185 | A144-P149 WeakPolarHBondContact O-CD 3.13Å; E146-P149 WeakPolarHBondContact O-CD 3.23Å; P149-A151 VanDerWaalsContact C-N 3.35Å; P149-T185 HydrophobicContact CB-CG2 3.84Å; P149-T185 HydrophobicContact CG-CG2 3.59Å |
| 150 | M | 97.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 26.1 Ų | 26.1 | 24% | 0.241 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -82.8 | -13.2 | 179.3 | -66.6 | 177.7 | 80.7 | 0 | 0 | 113.4 | C106 I109 R113 Y121 E146 L147 V148 | C106-M150 HydrophobicContact CB-SD 4.16Å; C106-M150 VanDerWaalsContact O-CE 3.28Å; C106-M150 WeakPolarHBondContact O-CE 3.33Å; I109-M150 HydrophobicContact CB-CE 3.93Å; I109-M150 HydrophobicContact CG2-CB 4.41Å; I109-M150 HydrophobicContact CG2-CE 3.86Å; R113-M150 PolarHBondContact NH2-O 2.88Å; Y121-M150 HydrophobicContact CD1-CB 4.3Å; Y121-M150 WeakPolarHBondContact CD1-O 3.47Å; Y121-M150 HydrophobicContact CE1-CB 4.28Å; E146-M150 VanDerWaalsContact O-CG 3.26Å; E146-M150 WeakPolarHBondContact O-CG 3.42Å; E146-M150 PolarHBondContact O-N 3.02Å; L147-M150 PolarHBondContact O-N 3.07Å; L147-M150 VanDerWaalsContact O-N 3.14Å; V148-M150 PolarHBondContact O-N 3.29Å |
| 151 | A | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | trans | -78.6 | 152.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y121 C123 V148 P149 I154 V186 P187 | Y121-A151 VanDerWaalsContact CD1-CA 3.47Å; Y121-A151 HydrophobicContact CD1-CB 3.97Å; Y121-A151 HydrophobicContact CE1-CB 4.03Å; C123-A151 HydrophobicContact CB-CB 3.69Å; V148-A151 WeakPolarHBondContact O-CB 3.2Å; V148-A151 PolarHBondContact O-N 3.4Å; V148-A151 VanDerWaalsContact O-N 3.11Å; P149-A151 VanDerWaalsContact C-N 3.35Å; A151-I154 HydrophobicContact CB-CG2 3.78Å; A151-V186 HydrophobicContact CB-CG2 4.05Å; A151-V186 WeakPolarHBondContact O-CG2 3.47Å; A151-P187 WeakPolarHBondContact O-CD 3.4Å | ||
| 152 | D | 95.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 19% | 0.193 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -89.1 | -24.8 | 167.6 | -66.2 | -84.5 | 0 | 0 | 0 | 111.2 | R113 F120 Y121 | R113-D152 IonicContact CZ-OD2 2.65Å; R113-D152 IonicContact NH1-OD2 3.97Å; R113-D152 IonicContact NH2-OD2 2.77Å; R113-D152 PolarHBondContact NH2-OD2 3.35Å; F120-D152 HydrophobicContact CD2-CB 3.68Å; F120-D152 HydrophobicContact CE2-CB 3.49Å; F120-D152 VanDerWaalsContact CE2-CB 3.49Å; F120-D152 HydrophobicContact CG-CB 4.37Å; F120-D152 HydrophobicContact CZ-CB 4.05Å; Y121-D152 PolarHBondContact N-OD2 2.92Å; Y121-D152 PolarHBondContact O-N 3.49Å |
| 153 | I | 93.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 143.3 | 174.2 | -174.9 | 166 | 0 | 0 | 0 | 110.7 | F120 Y121 V122 C123 K188 V190 L226 L230 L237 | F120-I153 HydrophobicContact CE1-CG2 3.89Å; F120-I153 HydrophobicContact CZ-CB 4.45Å; F120-I153 HydrophobicContact CZ-CG2 3.77Å; Y121-I153 PolarHBondContact O-N 2.89Å; V122-I153 HydrophobicContact CB-CG2 4.09Å; V122-I153 HydrophobicContact CG1-CG2 4.08Å; V122-I153 HydrophobicContact CG2-CG2 3.64Å; C123-I153 PolarHBondContact N-O 3.26Å; I153-K188 WeakPolarHBondContact CA-O 3.35Å; I153-K188 HydrophobicContact CB-CB 3.83Å; I153-K188 HydrophobicContact CD1-CB 3.92Å; I153-K188 HydrophobicContact CD1-CD 4.33Å; I153-K188 HydrophobicContact CG1-CB 3.67Å; I153-V190 HydrophobicContact CD1-CG2 3.79Å; I153-V190 HydrophobicContact CG1-CG2 4.46Å; I153-L226 HydrophobicContact CD1-CD2 3.71Å; I153-L226 HydrophobicContact CD1-CG 4.29Å; I153-L230 HydrophobicContact CD1-CD1 3.57Å; I153-L230 HydrophobicContact CG2-CD1 4.23Å; I153-L237 HydrophobicContact CD1-CD2 4.11Å |
| 154 | I | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.3 | 170.3 | 64.4 | 171.7 | 0 | 0 | 0 | 112.5 | C123 V148 A151 P156 L182 V186 K188 V189 V190 | C123-I154 HydrophobicContact CB-CG2 3.82Å; C123-I154 WeakPolarHBondContact O-CA 3.32Å; V148-I154 HydrophobicContact CB-CG2 4.46Å; V148-I154 HydrophobicContact CG1-CD1 4.07Å; V148-I154 HydrophobicContact CG1-CG2 4.04Å; V148-I154 HydrophobicContact CG2-CG2 4.25Å; A151-I154 HydrophobicContact CB-CG2 3.78Å; I154-P156 HydrophobicContact CD1-CG 4.32Å; I154-L182 HydrophobicContact CD1-CB 4.29Å; I154-L182 HydrophobicContact CD1-CD1 3.72Å; I154-L182 HydrophobicContact CD1-CG 4.47Å; I154-V186 HydrophobicContact CD1-CG1 3.89Å; I154-V186 HydrophobicContact CG1-CG1 3.91Å; I154-V186 HydrophobicContact CG2-CG2 4.05Å; I154-K188 PolarHBondContact N-O 3.26Å; I154-V189 HydrophobicContact CD1-CG1 4.3Å; I154-V189 HydrophobicContact CD1-CG2 4.09Å; I154-V189 HydrophobicContact CG1-CB 4.3Å; I154-V189 HydrophobicContact CG1-CG1 4.12Å; I154-V189 HydrophobicContact CG1-CG2 3.97Å; I154-V190 PolarHBondContact O-N 2.91Å |
| 155 | T | 92.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -123.7 | 49.5 | -175.6 | 56.6 | 0 | 0 | 0 | 0 | 115 | V122 C123 D124 V190 T192 S223 L226 | V122-T155 HydrophobicContact CG1-CG2 4.36Å; C123-T155 PolarHBondContact O-N 2.96Å; C123-T155 VanDerWaalsContact O-N 3.1Å; D124-T155 VanDerWaalsContact CA-OG1 3.3Å; D124-T155 WeakPolarHBondContact CA-OG1 3.36Å; D124-T155 WeakPolarHBondContact CB-OG1 3.48Å; D124-T155 VanDerWaalsContact CG-OG1 3.27Å; D124-T155 PolarHBondContact OD1-OG1 3.11Å; T155-V190 CarbonylContact C-O 3.48Å; T155-V190 VanDerWaalsContact CA-O 3.24Å; T155-V190 WeakPolarHBondContact CA-O 3.43Å; T155-T192 WeakPolarHBondContact O-CG2 3.45Å; T155-S223 PolarHBondContact OG1-OG 3.09Å; T155-S223 VanDerWaalsContact OG1-OG 3.14Å; T155-L226 HydrophobicContact CG2-CD2 3.58Å | ||
| 156 | P | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -65.7 | 144.9 | -176.1 | 30.3 | -36.7 | 0 | 0 | 0 | 112.5 | P125 I154 E160 L161 L164 V189 V191 T192 | P125-P156 HydrophobicContact CG-CB 3.98Å; I154-P156 HydrophobicContact CD1-CG 4.32Å; P156-E160 WeakPolarHBondContact CA-OE2 3.46Å; P156-E160 HydrophobicContact CB-CB 3.68Å; P156-L161 HydrophobicContact CB-CB 4.4Å; P156-L164 HydrophobicContact CB-CD1 4.47Å; P156-V189 HydrophobicContact CG-CG1 4.19Å; P156-V191 CarbonylContact O-C 3.49Å; P156-V191 VanDerWaalsContact O-CA 3.29Å; P156-V191 WeakPolarHBondContact O-CA 3.43Å; P156-T192 PolarHBondContact O-N 2.61Å; P156-T192 PolarHBondContact O-OG1 3.28Å | ||
| 157 | N | 91.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | trans | -74.6 | 177.5 | 157.9 | 69.1 | 41.9 | 0 | 0 | 0 | 110.9 | G128 F159 E160 L161 T192 S193 | G128-N157 PolarHBondContact O-ND2 2.97Å; N157-F159 PolarHBondContact O-N 2.94Å; N157-F159 WeakPolarHBondContact OD1-CA 3.34Å; N157-F159 WeakPolarHBondContact OD1-CB 3.2Å; N157-F159 PolarHBondContact OD1-N 3.16Å; N157-E160 VanDerWaalsContact CG-OE2 3.29Å; N157-E160 PolarHBondContact N-OE2 3.17Å; N157-E160 VanDerWaalsContact ND2-CD 3.26Å; N157-E160 PolarHBondContact ND2-OE1 2.82Å; N157-E160 PolarHBondContact ND2-OE2 2.81Å; N157-E160 PolarHBondContact O-N 3.1Å; N157-E160 PolarHBondContact OD1-N 2.85Å; N157-L161 VanDerWaalsContact O-CB 3.31Å; N157-L161 WeakPolarHBondContact O-CB 3.4Å; N157-L161 PolarHBondContact O-N 3Å; N157-T192 WeakPolarHBondContact CA-OG1 3.1Å; N157-T192 PolarHBondContact N-OG1 3.3Å; N157-S193 WeakPolarHBondContact CB-OG 3.31Å | ||
| 158 | Q | 92.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 178.8 | 172.5 | 174.1 | -30.6 | 0 | 0 | 113 | E160 L161 E162 V169 S193 | Q158-E160 VanDerWaalsContact C-N 3.33Å; Q158-E160 PolarHBondContact O-N 3.29Å; Q158-L161 WeakPolarHBondContact O-CB 3.48Å; Q158-L161 PolarHBondContact O-N 3.46Å; Q158-E162 HydrophobicContact CG-CG 4.34Å; Q158-E162 VanDerWaalsContact O-CG 3.32Å; Q158-E162 WeakPolarHBondContact O-CG 3.42Å; Q158-E162 PolarHBondContact O-N 2.89Å; Q158-V169 HydrophobicContact CG-CB 4.01Å; Q158-V169 HydrophobicContact CG-CG1 4.1Å; Q158-V169 PolarHBondContact NE2-O 2.96Å; Q158-V169 VanDerWaalsContact NE2-O 3.17Å; Q158-S193 PolarHBondContact N-O 3.27Å |
| 159 | F | 94.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | -179.8 | 171.6 | -100.8 | 0 | 0 | 0 | 111.5 | G128 G131 F133 N157 E162 V163 | G128-F159 WeakPolarHBondContact O-CD1 3.33Å; G131-F159 VanDerWaalsContact CA-CD2 3.41Å; G131-F159 WeakPolarHBondContact O-CE2 3.46Å; F133-F159 HydrophobicContact CD1-CE1 4.28Å; F133-F159 HydrophobicContact CD1-CZ 4.43Å; F133-F159 HydrophobicContact CD2-CE1 4.27Å; F133-F159 AromaticContact CD2-CZ 3.63Å; F133-F159 HydrophobicContact CD2-CZ 3.63Å; F133-F159 HydrophobicContact CE1-CE1 4.36Å; F133-F159 HydrophobicContact CE1-CZ 4.46Å; F133-F159 HydrophobicContact CE2-CE1 4.34Å; F133-F159 AromaticContact CE2-CZ 3.66Å; F133-F159 HydrophobicContact CE2-CZ 3.66Å; F133-F159 HydrophobicContact CG-CE1 4.23Å; F133-F159 HydrophobicContact CG-CZ 4.03Å; F133-F159 HydrophobicContact CZ-CE1 4.39Å; F133-F159 HydrophobicContact CZ-CZ 4.09Å; N157-F159 PolarHBondContact O-N 2.94Å; N157-F159 WeakPolarHBondContact OD1-CA 3.34Å; N157-F159 WeakPolarHBondContact OD1-CB 3.2Å; N157-F159 PolarHBondContact OD1-N 3.16Å; F159-E162 WeakPolarHBondContact O-CB 3.48Å; F159-E162 PolarHBondContact O-N 3.22Å; F159-V163 HydrophobicContact CD2-CG1 4.34Å; F159-V163 HydrophobicContact CE1-CG1 4.18Å; F159-V163 HydrophobicContact CE2-CG1 3.86Å; F159-V163 HydrophobicContact CZ-CG1 3.79Å; F159-V163 WeakPolarHBondContact O-CG2 3.4Å; F159-V163 PolarHBondContact O-N 2.94Å |
| 160 | E | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.1 | -72.7 | 156.9 | 178.2 | 0 | 0 | 111.6 | P125 V126 M127 P156 N157 Q158 E162 V163 L164 | P125-E160 HydrophobicContact CG-CB 4.43Å; P125-E160 VanDerWaalsContact O-CD 3.25Å; P125-E160 WeakPolarHBondContact O-CG 3.42Å; V126-E160 VanDerWaalsContact CA-OE1 3.27Å; V126-E160 WeakPolarHBondContact CA-OE1 3.31Å; M127-E160 HydrophobicContact CB-CG 4.28Å; M127-E160 HydrophobicContact CE-CB 4.44Å; M127-E160 HydrophobicContact CE-CG 4.26Å; M127-E160 PolarHBondContact N-OE1 3.03Å; P156-E160 WeakPolarHBondContact CA-OE2 3.46Å; P156-E160 HydrophobicContact CB-CB 3.68Å; N157-E160 VanDerWaalsContact CG-OE2 3.29Å; N157-E160 PolarHBondContact N-OE2 3.17Å; N157-E160 VanDerWaalsContact ND2-CD 3.26Å; N157-E160 PolarHBondContact ND2-OE1 2.82Å; N157-E160 PolarHBondContact ND2-OE2 2.81Å; N157-E160 PolarHBondContact O-N 3.1Å; N157-E160 PolarHBondContact OD1-N 2.85Å; Q158-E160 VanDerWaalsContact C-N 3.33Å; Q158-E160 PolarHBondContact O-N 3.29Å; E160-E162 VanDerWaalsContact C-N 3.31Å; E160-E162 PolarHBondContact O-N 3.42Å; E160-V163 WeakPolarHBondContact O-CG2 3.4Å; E160-V163 PolarHBondContact O-N 2.98Å; E160-L164 VanDerWaalsContact O-CB 3.29Å; E160-L164 WeakPolarHBondContact O-CB 3.44Å; E160-L164 WeakPolarHBondContact O-CD1 3.18Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.37Å |
| 161 | L | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.1 | -45.3 | 173.3 | -179.3 | 65.7 | 0 | 0 | 0 | 110.9 | P156 N157 Q158 T165 V169 V175 A178 M179 L182 V191 | P156-L161 HydrophobicContact CB-CB 4.4Å; N157-L161 VanDerWaalsContact O-CB 3.31Å; N157-L161 WeakPolarHBondContact O-CB 3.4Å; N157-L161 PolarHBondContact O-N 3Å; Q158-L161 WeakPolarHBondContact O-CB 3.48Å; Q158-L161 PolarHBondContact O-N 3.46Å; L161-T165 HydrophobicContact CD1-CG2 4.16Å; L161-T165 WeakPolarHBondContact O-CB 3.41Å; L161-T165 VanDerWaalsContact O-CG2 3.29Å; L161-T165 WeakPolarHBondContact O-CG2 3.47Å; L161-T165 PolarHBondContact O-N 2.9Å; L161-T165 VanDerWaalsContact O-N 3.08Å; L161-T165 PolarHBondContact O-OG1 3.2Å; L161-V169 HydrophobicContact CD2-CG2 4.17Å; L161-V175 HydrophobicContact CD2-CG1 4.2Å; L161-A178 HydrophobicContact CD1-CB 3.74Å; L161-A178 HydrophobicContact CD2-CB 3.91Å; L161-A178 HydrophobicContact CG-CB 3.69Å; L161-M179 HydrophobicContact CD1-CG 4.47Å; L161-L182 HydrophobicContact CD1-CD1 3.58Å; L161-V191 HydrophobicContact CD2-CG1 4.37Å; L161-V191 HydrophobicContact CD2-CG2 3.85Å |
| 162 | E | 96.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 178.7 | -71.9 | -166.8 | 160.5 | 0 | 0 | 112.7 | Q158 F159 E160 K166 M167 K168 V169 | Q158-E162 HydrophobicContact CG-CG 4.34Å; Q158-E162 VanDerWaalsContact O-CG 3.32Å; Q158-E162 WeakPolarHBondContact O-CG 3.42Å; Q158-E162 PolarHBondContact O-N 2.89Å; F159-E162 WeakPolarHBondContact O-CB 3.48Å; F159-E162 PolarHBondContact O-N 3.22Å; E160-E162 VanDerWaalsContact C-N 3.31Å; E160-E162 PolarHBondContact O-N 3.42Å; E162-K166 VanDerWaalsContact O-CA 3.23Å; E162-K166 WeakPolarHBondContact O-CA 3.3Å; E162-K166 PolarHBondContact O-N 3.31Å; E162-M167 WeakPolarHBondContact CA-O 3.22Å; E162-M167 WeakPolarHBondContact CB-O 3.22Å; E162-M167 WeakPolarHBondContact CG-O 3.46Å; E162-M167 PolarHBondContact O-N 2.77Å; E162-M167 VanDerWaalsContact O-N 3.16Å; E162-K168 WeakPolarHBondContact OE2-CD 3.45Å; E162-K168 IonicContact OE2-NZ 3.23Å; E162-K168 PolarHBondContact OE2-NZ 3.29Å; E162-V169 HydrophobicContact CG-CB 4.09Å; E162-V169 HydrophobicContact CG-CG2 3.91Å; E162-V169 PolarHBondContact OE1-N 3.44Å |
| 163 | V | 96.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 41 Ų | 41 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.1 | -36.5 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | M127 F133 L140 F159 E160 | M127-V163 HydrophobicContact CE-CG2 3.77Å; F133-V163 HydrophobicContact CE2-CG1 4.2Å; F133-V163 HydrophobicContact CZ-CB 4.21Å; F133-V163 HydrophobicContact CZ-CG1 3.89Å; F133-V163 HydrophobicContact CZ-CG2 4.35Å; L140-V163 HydrophobicContact CD1-CB 4.19Å; L140-V163 HydrophobicContact CD1-CG2 3.93Å; L140-V163 HydrophobicContact CD2-CB 4.27Å; F159-V163 HydrophobicContact CD2-CG1 4.34Å; F159-V163 HydrophobicContact CE1-CG1 4.18Å; F159-V163 HydrophobicContact CE2-CG1 3.86Å; F159-V163 HydrophobicContact CZ-CG1 3.79Å; F159-V163 WeakPolarHBondContact O-CG2 3.4Å; F159-V163 PolarHBondContact O-N 2.94Å; E160-V163 WeakPolarHBondContact O-CG2 3.4Å; E160-V163 PolarHBondContact O-N 2.98Å |
| 164 | L | 97 | Very high | 92.8 | Very high | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.5 | -71.9 | 169.3 | 0 | 0 | 0 | 111.6 | P125 M127 L140 A144 V148 P156 E160 L182 | P125-L164 HydrophobicContact CB-CD1 4.39Å; P125-L164 HydrophobicContact CG-CD1 4.19Å; M127-L164 HydrophobicContact CE-CD1 4.33Å; M127-L164 HydrophobicContact CE-CD2 3.93Å; M127-L164 HydrophobicContact CE-CG 3.89Å; L140-L164 HydrophobicContact CD1-CD2 4.05Å; A144-L164 HydrophobicContact CB-CD2 4.12Å; V148-L164 HydrophobicContact CG2-CD1 4.47Å; V148-L164 HydrophobicContact CG2-CD2 4.26Å; P156-L164 HydrophobicContact CB-CD1 4.47Å; E160-L164 VanDerWaalsContact O-CB 3.29Å; E160-L164 WeakPolarHBondContact O-CB 3.44Å; E160-L164 WeakPolarHBondContact O-CD1 3.18Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.37Å; L164-L182 HydrophobicContact CB-CD1 4.45Å; L164-L182 HydrophobicContact CB-CD2 3.97Å; L164-L182 HydrophobicContact CD1-CD1 4.4Å |
| 165 | T | 95.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -91.7 | -9.5 | -177 | 62.3 | 0 | 0 | 0 | 0 | 114 | L161 M167 A178 K181 L182 | L161-T165 HydrophobicContact CD1-CG2 4.16Å; L161-T165 WeakPolarHBondContact O-CB 3.41Å; L161-T165 VanDerWaalsContact O-CG2 3.29Å; L161-T165 WeakPolarHBondContact O-CG2 3.47Å; L161-T165 PolarHBondContact O-N 2.9Å; L161-T165 VanDerWaalsContact O-N 3.08Å; L161-T165 PolarHBondContact O-OG1 3.2Å; T165-M167 PolarHBondContact O-N 3.15Å; T165-M167 WeakPolarHBondContact OG1-CB 3.27Å; T165-M167 PolarHBondContact OG1-N 2.8Å; T165-A178 HydrophobicContact CG2-CB 3.99Å; T165-A178 VanDerWaalsContact CG2-O 3.27Å; T165-A178 WeakPolarHBondContact CG2-O 3.13Å; T165-K181 HydrophobicContact CG2-CB 4.27Å; T165-L182 HydrophobicContact CG2-CD1 3.95Å; T165-L182 HydrophobicContact CG2-CD2 3.76Å; T165-L182 HydrophobicContact CG2-CG 3.55Å |
| 166 | K | 96 | Very high | 92 | Very high | 190 Ų | 190 | 45.2 Ų | 45.2 | 83% | 0.826 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.2 | -171.3 | -55.9 | 173.7 | -177.3 | 171.3 | 0 | 111.7 | E162 | E162-K166 VanDerWaalsContact O-CA 3.23Å; E162-K166 WeakPolarHBondContact O-CA 3.3Å; E162-K166 PolarHBondContact O-N 3.31Å |
| 167 | M | 95.1 | Very high | 91.8 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -121.7 | 148.8 | 179 | -69.8 | 175.3 | 50.3 | 0 | 0 | 110.5 | E162 T165 L177 A178 K181 | E162-M167 WeakPolarHBondContact CA-O 3.22Å; E162-M167 WeakPolarHBondContact CB-O 3.22Å; E162-M167 WeakPolarHBondContact CG-O 3.46Å; E162-M167 PolarHBondContact O-N 2.77Å; E162-M167 VanDerWaalsContact O-N 3.16Å; T165-M167 PolarHBondContact O-N 3.15Å; T165-M167 WeakPolarHBondContact OG1-CB 3.27Å; T165-M167 PolarHBondContact OG1-N 2.8Å; M167-L177 HydrophobicContact CE-CB 3.88Å; M167-L177 HydrophobicContact CE-CD2 3.54Å; M167-L177 HydrophobicContact CE-CG 3.59Å; M167-L177 HydrophobicContact SD-CG 4.35Å; M167-A178 HydrophobicContact CE-CB 4.25Å; M167-A178 HydrophobicContact SD-CB 4.41Å; M167-K181 HydrophobicContact CG-CD 4.45Å; M167-K181 HydrophobicContact SD-CD 3.47Å; M167-K181 WeakPolarHBondContact SD-CD 3.43Å; M167-K181 WeakPolarHBondContact SD-CE 3.25Å; M167-K181 HydrophobicContact SD-CG 4.32Å; M167-K181 PolarHBondContact SD-NZ 3.43Å | ||
| 168 | K | 95.2 | Very high | 91.8 | Very high | 133 Ų | 133 | 48.8 Ų | 48.8 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | trans | -91.7 | 137.8 | 168.7 | -71.4 | -57 | -172.5 | 177.7 | 0 | 110.3 | E162 | E162-K168 WeakPolarHBondContact OE2-CD 3.45Å; E162-K168 IonicContact OE2-NZ 3.23Å; E162-K168 PolarHBondContact OE2-NZ 3.29Å | ||
| 169 | V | 90.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | -107.4 | 113.9 | -178.7 | 171.6 | 0 | 0 | 0 | 0 | 108.5 | Q158 L161 E162 D174 V175 A178 L196 | Q158-V169 HydrophobicContact CG-CB 4.01Å; Q158-V169 HydrophobicContact CG-CG1 4.1Å; Q158-V169 PolarHBondContact NE2-O 2.96Å; Q158-V169 VanDerWaalsContact NE2-O 3.17Å; L161-V169 HydrophobicContact CD2-CG2 4.17Å; E162-V169 HydrophobicContact CG-CB 4.09Å; E162-V169 HydrophobicContact CG-CG2 3.91Å; E162-V169 PolarHBondContact OE1-N 3.44Å; V169-D174 HydrophobicContact CB-CB 4.34Å; V169-D174 HydrophobicContact CG1-CB 4.31Å; V169-D174 HydrophobicContact CG2-CB 4.33Å; V169-V175 HydrophobicContact CG1-CG2 3.43Å; V169-V175 VanDerWaalsContact CG1-CG2 3.43Å; V169-A178 HydrophobicContact CG2-CB 4.4Å; V169-L196 HydrophobicContact CG1-CD1 4.48Å; V169-L196 HydrophobicContact CG1-CD2 4.27Å | ||
| 170 | K | 91.4 | Very high | 91.2 | Very high | 170 Ų | 170 | 53.5 Ų | 53.5 | 74% | 0.739 | 26% | 0.26 | S | S | * | . | trans | -124.8 | -15 | -178.4 | -59.4 | -179.7 | -178.6 | 179.3 | 0 | 113 | D174 L196 | K170-D174 WeakPolarHBondContact CA-OD2 3.39Å; K170-D174 WeakPolarHBondContact CB-OD2 3.36Å; K170-D174 PolarHBondContact N-OD2 3.31Å; K170-L196 WeakPolarHBondContact O-CD2 3.46Å | ||
| 171 | C | 85.8 | Confident | 91 | Very high | 53 Ų | 53 | 58 Ų | 58 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -149.5 | 175.7 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 112 | D173 D174 V175 L196 | C171-D173 VanDerWaalsContact C-N 3.28Å; C171-D173 PolarHBondContact O-N 2.89Å; C171-D174 PolarHBondContact N-OD2 2.98Å; C171-D174 PolarHBondContact O-N 2.85Å; C171-D174 VanDerWaalsContact SG-CG 3.51Å; C171-D174 PolarHBondContact SG-OD2 2.88Å; C171-V175 PolarHBondContact O-N 3.41Å; C171-L196 VanDerWaalsContact C-CD1 3.49Å |
| 172 | E | 83.2 | Confident | 90.9 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 177.1 | -168.8 | 164.9 | 177 | 0 | 0 | 112.6 | D174 V175 I176 L203 K277 | E172-D174 PolarHBondContact O-N 3.03Å; E172-V175 WeakPolarHBondContact O-CB 3.4Å; E172-V175 PolarHBondContact O-N 3.35Å; E172-V175 VanDerWaalsContact O-N 3.11Å; E172-I176 HydrophobicContact CG-CD1 4.05Å; E172-I176 WeakPolarHBondContact O-CG1 3.26Å; E172-I176 PolarHBondContact O-N 2.77Å; E172-L203 HydrophobicContact CB-CD1 3.25Å; E172-L203 HydrophobicContact CG-CD1 3.28Å; E172-L203 HydrophobicContact CG-CG 4.1Å; E172-K277 IonicContact OE1-NZ 3.81Å; E172-K277 PolarHBondContact OE1-NZ 2.82Å; E172-K277 IonicContact OE2-NZ 3.97Å |
| 173 | D | 85.2 | Confident | 90.5 | Very high | 120 Ų | 120 | 59.8 Ų | 59.8 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.1 | -33.7 | -177.3 | -68.6 | -29.8 | 0 | 0 | 0 | 111.4 | C171 I176 L177 | C171-D173 VanDerWaalsContact C-N 3.28Å; C171-D173 PolarHBondContact O-N 2.89Å; D173-I176 PolarHBondContact O-N 2.82Å; D173-L177 WeakPolarHBondContact O-CB 3.46Å; D173-L177 PolarHBondContact O-N 2.85Å |
| 174 | D | 91.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 174.7 | -60 | -40.3 | 0 | 0 | 0 | 111.6 | V169 K170 C171 E172 I176 L177 A178 | V169-D174 HydrophobicContact CB-CB 4.34Å; V169-D174 HydrophobicContact CG1-CB 4.31Å; V169-D174 HydrophobicContact CG2-CB 4.33Å; K170-D174 WeakPolarHBondContact CA-OD2 3.39Å; K170-D174 WeakPolarHBondContact CB-OD2 3.36Å; K170-D174 PolarHBondContact N-OD2 3.31Å; C171-D174 PolarHBondContact N-OD2 2.98Å; C171-D174 PolarHBondContact O-N 2.85Å; C171-D174 VanDerWaalsContact SG-CG 3.51Å; C171-D174 PolarHBondContact SG-OD2 2.88Å; E172-D174 PolarHBondContact O-N 3.03Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-L177 PolarHBondContact O-N 3.28Å; D174-A178 VanDerWaalsContact O-CB 3.24Å; D174-A178 WeakPolarHBondContact O-CB 3.37Å; D174-A178 PolarHBondContact O-N 3.13Å |
| 175 | V | 87.2 | Confident | 89.7 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | L161 V169 C171 E172 L177 A178 M179 V191 T194 L196 | L161-V175 HydrophobicContact CD2-CG1 4.2Å; V169-V175 HydrophobicContact CG1-CG2 3.43Å; V169-V175 VanDerWaalsContact CG1-CG2 3.43Å; C171-V175 PolarHBondContact O-N 3.41Å; E172-V175 WeakPolarHBondContact O-CB 3.4Å; E172-V175 PolarHBondContact O-N 3.35Å; E172-V175 VanDerWaalsContact O-N 3.11Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.46Å; V175-A178 PolarHBondContact O-N 3.26Å; V175-M179 HydrophobicContact CG1-CG 4.3Å; V175-M179 HydrophobicContact CG1-SD 3.88Å; V175-M179 WeakPolarHBondContact O-CB 2.91Å; V175-M179 VanDerWaalsContact O-CG 3.24Å; V175-M179 WeakPolarHBondContact O-CG 3.25Å; V175-M179 PolarHBondContact O-N 3.13Å; V175-V191 HydrophobicContact CG1-CG2 4.07Å; V175-T194 HydrophobicContact CG2-CG2 4.17Å; V175-L196 HydrophobicContact CG2-CD1 3.66Å |
| 176 | I | 83.2 | Confident | 89.5 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | -179.9 | -66.2 | 169.2 | 0 | 0 | 0 | 110.7 | E172 D173 D174 M179 K180 K277 T278 | E172-I176 HydrophobicContact CG-CD1 4.05Å; E172-I176 WeakPolarHBondContact O-CG1 3.26Å; E172-I176 PolarHBondContact O-N 2.77Å; D173-I176 PolarHBondContact O-N 2.82Å; D174-I176 VanDerWaalsContact C-N 3.35Å; I176-M179 PolarHBondContact O-N 3.35Å; I176-K180 HydrophobicContact CG2-CD 4.35Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.43Å; I176-K180 PolarHBondContact O-N 3.38Å; I176-K277 HydrophobicContact CD1-CB 4.24Å; I176-T278 HydrophobicContact CG2-CG2 3.9Å |
| 177 | L | 89.5 | Confident | 89.2 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 179.9 | -175 | 63.7 | 0 | 0 | 0 | 112.2 | M167 D173 D174 V175 K180 K181 | M167-L177 HydrophobicContact CE-CB 3.88Å; M167-L177 HydrophobicContact CE-CD2 3.54Å; M167-L177 HydrophobicContact CE-CG 3.59Å; M167-L177 HydrophobicContact SD-CG 4.35Å; D173-L177 WeakPolarHBondContact O-CB 3.46Å; D173-L177 PolarHBondContact O-N 2.85Å; D174-L177 PolarHBondContact O-N 3.28Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.46Å; L177-K180 PolarHBondContact O-N 3.3Å; L177-K181 PolarHBondContact O-N 3.24Å |
| 178 | A | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L161 T165 M167 V169 D174 V175 K180 K181 L182 | L161-A178 HydrophobicContact CD1-CB 3.74Å; L161-A178 HydrophobicContact CD2-CB 3.91Å; L161-A178 HydrophobicContact CG-CB 3.69Å; T165-A178 HydrophobicContact CG2-CB 3.99Å; T165-A178 VanDerWaalsContact CG2-O 3.27Å; T165-A178 WeakPolarHBondContact CG2-O 3.13Å; M167-A178 HydrophobicContact CE-CB 4.25Å; M167-A178 HydrophobicContact SD-CB 4.41Å; V169-A178 HydrophobicContact CG2-CB 4.4Å; D174-A178 VanDerWaalsContact O-CB 3.24Å; D174-A178 WeakPolarHBondContact O-CB 3.37Å; D174-A178 PolarHBondContact O-N 3.13Å; V175-A178 PolarHBondContact O-N 3.26Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 2.83Å; A178-K181 PolarHBondContact O-N 3.39Å; A178-L182 PolarHBondContact O-N 2.84Å |
| 179 | M | 88 | Confident | 88.5 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 17% | 0.172 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -44 | 174 | -72.8 | 176.6 | 72 | 0 | 0 | 111.7 | L161 V175 I176 K181 L182 L183 V189 V191 | L161-M179 HydrophobicContact CD1-CG 4.47Å; V175-M179 HydrophobicContact CG1-CG 4.3Å; V175-M179 HydrophobicContact CG1-SD 3.88Å; V175-M179 WeakPolarHBondContact O-CB 2.91Å; V175-M179 VanDerWaalsContact O-CG 3.24Å; V175-M179 WeakPolarHBondContact O-CG 3.25Å; V175-M179 PolarHBondContact O-N 3.13Å; I176-M179 PolarHBondContact O-N 3.35Å; M179-K181 VanDerWaalsContact C-N 3.31Å; M179-K181 PolarHBondContact O-N 2.98Å; M179-L182 PolarHBondContact O-N 2.88Å; M179-L182 VanDerWaalsContact O-N 3.09Å; M179-L183 VanDerWaalsContact O-CG 3.32Å; M179-L183 WeakPolarHBondContact O-CG 3.12Å; M179-L183 PolarHBondContact O-N 3Å; M179-V189 HydrophobicContact CE-CB 4.24Å; M179-V189 HydrophobicContact CE-CG1 4.32Å; M179-V189 VanDerWaalsContact CE-O 3.3Å; M179-V189 WeakPolarHBondContact CE-O 3.04Å; M179-V189 HydrophobicContact CG-CG1 4.04Å; M179-V191 HydrophobicContact CE-CG2 4.46Å; M179-V191 HydrophobicContact CG-CG2 3.67Å; M179-V191 HydrophobicContact SD-CG2 3.7Å |
| 180 | K | 86.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.7 | -42.3 | 176.7 | -78.2 | 174.6 | 179.8 | 179.1 | 0 | 112.5 | I176 L177 A178 L182 L183 D184 | I176-K180 HydrophobicContact CG2-CD 4.35Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.43Å; I176-K180 PolarHBondContact O-N 3.38Å; L177-K180 PolarHBondContact O-N 3.3Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 2.83Å; K180-L182 VanDerWaalsContact C-N 3.3Å; K180-L182 PolarHBondContact O-N 3.41Å; K180-L183 PolarHBondContact O-N 3.14Å; K180-D184 PolarHBondContact O-N 3.4Å |
| 181 | K | 92.3 | Very high | 88.1 | Confident | 97 Ų | 97 | 51.8 Ų | 51.8 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 175.9 | -73.4 | -169.4 | 177.8 | 176.8 | 0 | 113.2 | T165 M167 L177 A178 M179 | T165-K181 HydrophobicContact CG2-CB 4.27Å; M167-K181 HydrophobicContact CG-CD 4.45Å; M167-K181 HydrophobicContact SD-CD 3.47Å; M167-K181 WeakPolarHBondContact SD-CD 3.43Å; M167-K181 WeakPolarHBondContact SD-CE 3.25Å; M167-K181 HydrophobicContact SD-CG 4.32Å; M167-K181 PolarHBondContact SD-NZ 3.43Å; L177-K181 PolarHBondContact O-N 3.24Å; A178-K181 PolarHBondContact O-N 3.39Å; M179-K181 VanDerWaalsContact C-N 3.31Å; M179-K181 PolarHBondContact O-N 2.98Å |
| 182 | L | 91 | Very high | 88 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.5 | -33.7 | 176.8 | -64.7 | -179.8 | 0 | 0 | 0 | 111.4 | I154 L161 L164 T165 A178 M179 K180 D184 T185 V186 V189 | I154-L182 HydrophobicContact CD1-CB 4.29Å; I154-L182 HydrophobicContact CD1-CD1 3.72Å; I154-L182 HydrophobicContact CD1-CG 4.47Å; L161-L182 HydrophobicContact CD1-CD1 3.58Å; L164-L182 HydrophobicContact CB-CD1 4.45Å; L164-L182 HydrophobicContact CB-CD2 3.97Å; L164-L182 HydrophobicContact CD1-CD1 4.4Å; T165-L182 HydrophobicContact CG2-CD1 3.95Å; T165-L182 HydrophobicContact CG2-CD2 3.76Å; T165-L182 HydrophobicContact CG2-CG 3.55Å; A178-L182 PolarHBondContact O-N 2.84Å; M179-L182 PolarHBondContact O-N 2.88Å; M179-L182 VanDerWaalsContact O-N 3.09Å; K180-L182 VanDerWaalsContact C-N 3.3Å; K180-L182 PolarHBondContact O-N 3.41Å; L182-D184 PolarHBondContact O-N 3.34Å; L182-D184 VanDerWaalsContact O-N 3.15Å; L182-T185 WeakPolarHBondContact O-CA 3.2Å; L182-T185 PolarHBondContact O-N 3Å; L182-V186 HydrophobicContact CB-CG1 4.49Å; L182-V186 WeakPolarHBondContact O-CG1 3.41Å; L182-V186 PolarHBondContact O-N 2.89Å; L182-V189 HydrophobicContact CB-CG2 3.77Å; L182-V189 HydrophobicContact CD1-CG1 4.41Å |
| 183 | L | 88.3 | Confident | 87.8 | Confident | 47 Ų | 47 | 52 Ų | 52 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -16.1 | 176.1 | -71.4 | 169.3 | 0 | 0 | 0 | 113.7 | M179 K180 T185 V186 V189 | M179-L183 VanDerWaalsContact O-CG 3.32Å; M179-L183 WeakPolarHBondContact O-CG 3.12Å; M179-L183 PolarHBondContact O-N 3Å; K180-L183 PolarHBondContact O-N 3.14Å; L183-T185 PolarHBondContact O-N 3.38Å; L183-V186 WeakPolarHBondContact CA-O 3.37Å; L183-V189 HydrophobicContact CD2-CB 4.45Å; L183-V189 HydrophobicContact CD2-CG2 3.87Å; L183-V189 HydrophobicContact CG-CG2 4.02Å |
| 184 | D | 88.9 | Confident | 87.6 | Confident | 132 Ų | 132 | 48.2 Ų | 48.2 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.3 | 169.1 | -64.2 | -27 | 0 | 0 | 0 | 112.4 | K180 L182 | K180-D184 PolarHBondContact O-N 3.4Å; L182-D184 PolarHBondContact O-N 3.34Å; L182-D184 VanDerWaalsContact O-N 3.15Å |
| 185 | T | 89.2 | Confident | 87 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -32 | -173.9 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | P149 L182 L183 | P149-T185 HydrophobicContact CB-CG2 3.84Å; P149-T185 HydrophobicContact CG-CG2 3.59Å; L182-T185 WeakPolarHBondContact O-CA 3.2Å; L182-T185 PolarHBondContact O-N 3Å; L183-T185 PolarHBondContact O-N 3.38Å |
| 186 | V | 89.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -128.2 | 141.8 | -176.4 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | A151 I154 L182 L183 K188 V189 | A151-V186 HydrophobicContact CB-CG2 4.05Å; A151-V186 WeakPolarHBondContact O-CG2 3.47Å; I154-V186 HydrophobicContact CD1-CG1 3.89Å; I154-V186 HydrophobicContact CG1-CG1 3.91Å; I154-V186 HydrophobicContact CG2-CG2 4.05Å; L182-V186 HydrophobicContact CB-CG1 4.49Å; L182-V186 WeakPolarHBondContact O-CG1 3.41Å; L182-V186 PolarHBondContact O-N 2.89Å; L183-V186 WeakPolarHBondContact CA-O 3.37Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 2.94Å; V186-V189 HydrophobicContact CG1-CG2 3.56Å |
| 187 | P | 89.5 | Confident | 85.1 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -63.6 | -29.4 | -176 | -24.8 | 34.9 | 0 | 0 | 0 | 115.2 | A151 | A151-P187 WeakPolarHBondContact O-CD 3.4Š|
| 188 | K | 89.1 | Confident | 83.3 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | trans | -143.4 | 140.3 | -175.2 | -61.8 | 177.7 | -173.5 | 73.3 | 0 | 111 | I153 I154 V186 L237 | I153-K188 WeakPolarHBondContact CA-O 3.35Å; I153-K188 HydrophobicContact CB-CB 3.83Å; I153-K188 HydrophobicContact CD1-CB 3.92Å; I153-K188 HydrophobicContact CD1-CD 4.33Å; I153-K188 HydrophobicContact CG1-CB 3.67Å; I154-K188 PolarHBondContact N-O 3.26Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 2.94Å; K188-L237 HydrophobicContact CB-CD1 4.3Å; K188-L237 HydrophobicContact CD-CD1 3.78Å; K188-L237 HydrophobicContact CD-CG 4.23Å; K188-L237 HydrophobicContact CG-CD1 4.01Å | ||
| 189 | V | 87.9 | Confident | 81 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -131.3 | 129.3 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | I154 P156 M179 L182 L183 V186 | I154-V189 HydrophobicContact CD1-CG1 4.3Å; I154-V189 HydrophobicContact CD1-CG2 4.09Å; I154-V189 HydrophobicContact CG1-CB 4.3Å; I154-V189 HydrophobicContact CG1-CG1 4.12Å; I154-V189 HydrophobicContact CG1-CG2 3.97Å; P156-V189 HydrophobicContact CG-CG1 4.19Å; M179-V189 HydrophobicContact CE-CB 4.24Å; M179-V189 HydrophobicContact CE-CG1 4.32Å; M179-V189 VanDerWaalsContact CE-O 3.3Å; M179-V189 WeakPolarHBondContact CE-O 3.04Å; M179-V189 HydrophobicContact CG-CG1 4.04Å; L182-V189 HydrophobicContact CB-CG2 3.77Å; L182-V189 HydrophobicContact CD1-CG1 4.41Å; L183-V189 HydrophobicContact CD2-CB 4.45Å; L183-V189 HydrophobicContact CD2-CG2 3.87Å; L183-V189 HydrophobicContact CG-CG2 4.02Å; V186-V189 HydrophobicContact CG1-CG2 3.56Å |
| 190 | V | 86.9 | Confident | 78.8 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | trans | -125.2 | 112.1 | 173.6 | 176 | 0 | 0 | 0 | 0 | 108.8 | I153 I154 T155 T192 F222 L226 L237 | I153-V190 HydrophobicContact CD1-CG2 3.79Å; I153-V190 HydrophobicContact CG1-CG2 4.46Å; I154-V190 PolarHBondContact O-N 2.91Å; T155-V190 CarbonylContact C-O 3.48Å; T155-V190 VanDerWaalsContact CA-O 3.24Å; T155-V190 WeakPolarHBondContact CA-O 3.43Å; V190-T192 PolarHBondContact O-N 2.86Å; V190-F222 HydrophobicContact CG1-CE1 3.56Å; V190-F222 HydrophobicContact CG1-CZ 3.56Å; V190-L226 HydrophobicContact CB-CD2 4.26Å; V190-L226 HydrophobicContact CG1-CD2 4.42Å; V190-L226 HydrophobicContact CG2-CD2 4.19Å; V190-L237 HydrophobicContact CG2-CD2 3.85Å | ||
| 191 | V | 86.5 | Confident | 76.2 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | trans | -78.9 | 116.9 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | P156 L161 V175 M179 T194 | P156-V191 CarbonylContact O-C 3.49Å; P156-V191 VanDerWaalsContact O-CA 3.29Å; P156-V191 WeakPolarHBondContact O-CA 3.43Å; L161-V191 HydrophobicContact CD2-CG1 4.37Å; L161-V191 HydrophobicContact CD2-CG2 3.85Å; V175-V191 HydrophobicContact CG1-CG2 4.07Å; M179-V191 HydrophobicContact CE-CG2 4.46Å; M179-V191 HydrophobicContact CG-CG2 3.67Å; M179-V191 HydrophobicContact SD-CG2 3.7Å; V191-T194 HydrophobicContact CG1-CG2 3.81Å | ||
| 192 | T | 82.2 | Confident | 73.2 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | trans | -79.7 | -31.8 | -170.2 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | T155 P156 N157 V190 F222 | T155-T192 WeakPolarHBondContact O-CG2 3.45Å; P156-T192 PolarHBondContact O-N 2.61Å; P156-T192 PolarHBondContact O-OG1 3.28Å; N157-T192 WeakPolarHBondContact CA-OG1 3.1Å; N157-T192 PolarHBondContact N-OG1 3.3Å; V190-T192 PolarHBondContact O-N 2.86Å; T192-F222 HydrophobicContact CG2-CD1 3.63Å; T192-F222 HydrophobicContact CG2-CE1 3.82Å | ||
| 193 | S | 80.7 | Confident | 70.4 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | trans | -154.6 | 153.1 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | N157 Q158 | N157-S193 WeakPolarHBondContact CB-OG 3.31Å; Q158-S193 PolarHBondContact N-O 3.27Å | ||
| 194 | T | 81.1 | Confident | 67.9 | Low | 41 Ų | 41 | 75.2 Ų | 75.2 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | trans | -136.3 | 152.7 | 171.4 | 69.8 | 0 | 0 | 0 | 0 | 110.3 | V175 V191 | V175-T194 HydrophobicContact CG2-CG2 4.17Å; V191-T194 HydrophobicContact CG1-CG2 3.81Å | ||
| 195 | E | 78.6 | Confident | 65.4 | Low | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | trans | -87.4 | 6 | 172.8 | -60.6 | -179 | -175.6 | 0 | 0 | 111.9 | N130 D197 | N130-E195 WeakPolarHBondContact CA-OE1 3.18Å; E195-D197 PolarHBondContact O-N 2.96Å | ||
| 196 | L | 75.6 | Confident | 62.8 | Low | 28 Ų | 28 | 71.6 Ų | 71.6 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | trans | -63.7 | 130.1 | -178.5 | -61.4 | -178.6 | 0 | 0 | 0 | 110.8 | V169 K170 C171 V175 L203 | V169-L196 HydrophobicContact CG1-CD1 4.48Å; V169-L196 HydrophobicContact CG1-CD2 4.27Å; K170-L196 WeakPolarHBondContact O-CD2 3.46Å; C171-L196 VanDerWaalsContact C-CD1 3.49Å; V175-L196 HydrophobicContact CG2-CD1 3.66Å; L196-L203 HydrophobicContact CD1-CD1 3.93Å; L196-L203 HydrophobicContact CD1-CD2 4.31Å | ||
| 197 | D | 54.4 | Low | 59.8 | Low | 114 Ų | 114 | 78.8 Ų | 78.8 | 61% | 0.61 | 43% | 0.428 | S | S | * | . | trans | -52.7 | 141.4 | -159.3 | -152.5 | -6.9 | 0 | 0 | 0 | 114.9 | E195 N199 | E195-D197 PolarHBondContact O-N 2.96Å; D197-N199 PolarHBondContact O-N 2.94Å | ||
| 198 | V | 52.7 | Low | 56.8 | Low | 101 Ų | 101 | 76.6 Ų | 76.6 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 3.2 | -168.6 | -142.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 199 | N | 42.1 | Very low | 53.7 | Low | 136 Ų | 136 | 82.8 Ų | 82.8 | 73% | 0.727 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 12.6 | -164.9 | -66.4 | -44.6 | 0 | 0 | 0 | 113.8 | D197 | D197-N199 PolarHBondContact O-N 2.94Š|
| 200 | S | 40.8 | Very low | 50.9 | Low | 68 Ų | 68 | 91.6 Ų | 91.6 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | trans | -87.7 | 132 | 176.4 | 92.3 | 0 | 0 | 0 | 0 | 112.2 | R202 | S200-R202 PolarHBondContact O-N 3.15Å; S200-R202 VanDerWaalsContact O-N 3.13Å | ||
| 201 | N | 32.5 | Very low | 48.4 | Very low | 166 Ų | 166 | 92.8 Ų | 92.8 | 89% | 0.888 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -77.3 | 15.4 | 177.2 | -84.2 | -15.3 | 0 | 0 | 0 | 113.9 | ||
| 202 | R | 30.1 | Very low | 45.9 | Very low | 207 Ų | 207 | 95.3 Ų | 95.3 | 78% | 0.781 | 53% | 0.525 | S | S | * | . | trans | 179.2 | 112.6 | 173.4 | -103 | 149.4 | 175 | -153.6 | -3.1 | 110.2 | S200 | S200-R202 PolarHBondContact O-N 3.15Å; S200-R202 VanDerWaalsContact O-N 3.13Å | ||
| 203 | L | 32 | Very low | 44.2 | Very low | 31 Ų | 31 | 98 Ų | 98 | 16% | 0.162 | 53% | 0.534 | C | S | . | . | trans | -139.9 | 147.1 | 147.7 | -165.9 | 112.7 | 0 | 0 | 0 | 104.6 | E172 L196 Y206 | E172-L203 HydrophobicContact CB-CD1 3.25Å; E172-L203 HydrophobicContact CG-CD1 3.28Å; E172-L203 HydrophobicContact CG-CG 4.1Å; L196-L203 HydrophobicContact CD1-CD1 3.93Å; L196-L203 HydrophobicContact CD1-CD2 4.31Å; L203-Y206 HydrophobicContact CB-CE2 3.42Å; L203-Y206 VanDerWaalsContact CB-CE2 3.42Å; L203-Y206 VanDerWaalsContact CB-OH 3.27Å; L203-Y206 WeakPolarHBondContact CB-OH 3.37Å; L203-Y206 HydrophobicContact CD2-CE2 3.71Å; L203-Y206 WeakPolarHBondContact CD2-OH 3.27Å; L203-Y206 HydrophobicContact CG-CE2 3.96Å; L203-Y206 WeakPolarHBondContact O-CD2 3.46Å; L203-Y206 WeakPolarHBondContact O-CE2 3.29Å | ||
| 204 | C | 35.7 | Very low | 43.2 | Very low | 58 Ų | 58 | 103.8 Ų | 103.8 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -103.2 | 118.5 | -171 | -73.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 205 | G | 35.7 | Very low | 42.2 | Very low | 57 Ų | 57 | 102.9 Ų | 102.9 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 129.2 | 66.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 206 | Y | 34.6 | Very low | 41.8 | Very low | 70 Ų | 70 | 99.8 Ų | 99.8 | 28% | 0.275 | 53% | 0.529 | S | S | . | . | trans | -148.4 | 128.8 | -174 | -66.5 | -96.6 | 0 | 0 | 0 | 112.8 | L203 V272 | L203-Y206 HydrophobicContact CB-CE2 3.42Å; L203-Y206 VanDerWaalsContact CB-CE2 3.42Å; L203-Y206 VanDerWaalsContact CB-OH 3.27Å; L203-Y206 WeakPolarHBondContact CB-OH 3.37Å; L203-Y206 HydrophobicContact CD2-CE2 3.71Å; L203-Y206 WeakPolarHBondContact CD2-OH 3.27Å; L203-Y206 HydrophobicContact CG-CE2 3.96Å; L203-Y206 WeakPolarHBondContact O-CD2 3.46Å; L203-Y206 WeakPolarHBondContact O-CE2 3.29Å; Y206-V272 WeakPolarHBondContact O-CG1 3.37Å; Y206-V272 VanDerWaalsContact O-CG2 3.26Å; Y206-V272 WeakPolarHBondContact O-CG2 2.94Å | ||
| 207 | F | 27.7 | Very low | 41.8 | Very low | 154 Ų | 154 | 98.8 Ų | 98.8 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | 160.3 | 112.7 | 102 | -87.5 | -71.2 | 0 | 0 | 0 | 111.7 | |||||
| 208 | G | 25.7 | Very low | 42.9 | Very low | 39 Ų | 39 | 96.3 Ų | 96.3 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -107.3 | 139.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | R210 | G208-R210 PolarHBondContact O-N 3.17Š|
| 209 | E | 23.5 | Very low | 44.3 | Very low | 184 Ų | 184 | 92.6 Ų | 92.6 | 86% | 0.86 | 50% | 0.497 | S | S | * | . | trans | -58.8 | 128.6 | 176.4 | -170.8 | 174 | -167.1 | 0 | 0 | 109.4 | S211 | E209-S211 VanDerWaalsContact C-N 3.34Å; E209-S211 PolarHBondContact O-N 3.32Å | ||
| 210 | R | 29.8 | Very low | 46.4 | Very low | 196 Ų | 196 | 87 Ų | 87 | 74% | 0.74 | 47% | 0.467 | S | S | * | . | trans | -71 | 90.3 | -178.9 | -161.6 | -179.9 | -177.6 | -177.1 | 2.2 | 108.4 | G208 | G208-R210 PolarHBondContact O-N 3.17Š| ||
| 211 | S | 33.5 | Very low | 48.5 | Very low | 49 Ų | 49 | 84.1 Ų | 84.1 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | trans | -63.5 | 143.9 | 145.6 | 60.9 | 0 | 0 | 0 | 0 | 106.4 | E209 E213 | E209-S211 VanDerWaalsContact C-N 3.34Å; E209-S211 PolarHBondContact O-N 3.32Å; S211-E213 PolarHBondContact O-N 3.38Å | ||
| 212 | G | 35.8 | Very low | 51 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 89% | 0.887 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -65.4 | 21 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 213 | E | 45.9 | Very low | 53.8 | Low | 101 Ų | 101 | 68.9 Ų | 68.9 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | trans | -120.4 | 126.1 | -160.9 | -75.8 | -171.9 | 159.1 | 0 | 0 | 108.8 | S211 F215 L254 | S211-E213 PolarHBondContact O-N 3.38Å; E213-F215 HydrophobicContact CB-CE2 4.19Å; E213-F215 HydrophobicContact CB-CZ 4.4Å; E213-L254 HydrophobicContact CB-CD1 3.39Å; E213-L254 HydrophobicContact CB-CD2 3.63Å; E213-L254 HydrophobicContact CB-CG 4.09Å; E213-L254 HydrophobicContact CG-CD1 3.86Å; E213-L254 HydrophobicContact CG-CD2 3.75Å; E213-L254 HydrophobicContact CG-CG 4.42Å; E213-L254 WeakPolarHBondContact OE2-CD2 3.44Å | ||
| 214 | R | 58.8 | Low | 56.6 | Low | 177 Ų | 177 | 67.4 Ų | 67.4 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 117.9 | 177.5 | -69.2 | -179.7 | 176.5 | -159.9 | -9.5 | 110.4 | N130 L254 | N130-R214 PolarHBondContact ND2-NH1 2.86Å; N130-R214 VanDerWaalsContact ND2-NH1 3.14Å; N130-R214 PolarHBondContact OD1-NH1 2.87Å; N130-R214 VanDerWaalsContact OD1-NH1 3.17Å; N130-R214 PolarHBondContact OD1-NH2 3.18Å; R214-L254 VanDerWaalsContact O-CB 3.27Å; R214-L254 WeakPolarHBondContact O-CB 3.44Å; R214-L254 WeakPolarHBondContact O-CD1 3.48Å |
| 215 | F | 60.7 | Low | 59.1 | Low | 23 Ų | 23 | 65 Ų | 65 | 10% | 0.101 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 133.7 | 174.6 | -64.5 | -87.6 | 0 | 0 | 0 | 110.8 | E213 T218 P245 L254 L256 | E213-F215 HydrophobicContact CB-CE2 4.19Å; E213-F215 HydrophobicContact CB-CZ 4.4Å; F215-T218 HydrophobicContact CB-CG2 3.84Å; F215-P245 HydrophobicContact CD2-CB 3.71Å; F215-P245 HydrophobicContact CD2-CG 4.49Å; F215-P245 HydrophobicContact CE2-CB 3.82Å; F215-P245 HydrophobicContact CE2-CG 4.47Å; F215-P245 HydrophobicContact CG-CB 4.08Å; F215-P245 HydrophobicContact CZ-CB 4.31Å; F215-L254 HydrophobicContact CD1-CB 3.79Å; F215-L254 VanDerWaalsContact CD1-O 3.27Å; F215-L254 WeakPolarHBondContact CD1-O 3.34Å; F215-L254 HydrophobicContact CE1-CB 3.86Å; F215-L254 HydrophobicContact CE1-CD2 4.08Å; F215-L254 HydrophobicContact CG-CB 4.33Å; F215-L254 HydrophobicContact CZ-CB 4.49Å; F215-L254 HydrophobicContact CZ-CD2 4.14Å; F215-L256 HydrophobicContact CB-CD2 3.93Å; F215-L256 HydrophobicContact CB-CG 4.46Å; F215-L256 HydrophobicContact CD1-CD2 4.31Å; F215-L256 HydrophobicContact CG-CD2 4.26Å |
| 216 | V | 70.6 | Confident | 61.6 | Low | 50 Ų | 50 | 62.5 Ų | 62.5 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 145.1 | 171.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | A30 H57 L256 | A30-V216 HydrophobicContact CB-CG1 4.06Å; H57-V216 HydrophobicContact CB-CG1 3.89Å; H57-V216 VanDerWaalsContact CE1-CG2 3.42Å; H57-V216 WeakPolarHBondContact CE1-CG2 3.26Å; V216-L256 WeakPolarHBondContact O-CD1 3.5Å |
| 217 | G | 74.7 | Confident | 64.3 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -2.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C34 G219 D220 L221 | C34-G217 PolarHBondContact SG-O 3.44Å; G217-G219 VanDerWaalsContact C-N 3.35Å; G217-G219 PolarHBondContact O-N 3.08Å; G217-D220 WeakPolarHBondContact CA-OD2 3.37Å; G217-D220 PolarHBondContact O-N 2.66Å; G217-L221 PolarHBondContact O-N 3.27Å |
| 218 | T | 78 | Confident | 67.3 | Low | 62 Ų | 62 | 51.8 Ų | 51.8 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | -178.6 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | F215 F222 L256 | F215-T218 HydrophobicContact CB-CG2 3.84Å; T218-F222 WeakPolarHBondContact O-CB 3.38Å; T218-F222 PolarHBondContact O-N 3.48Å; T218-L256 HydrophobicContact CG2-CD1 4.44Å; T218-L256 HydrophobicContact CG2-CD2 4.04Å |
| 219 | G | 81.3 | Confident | 70.1 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G217 L221 F222 S223 | G217-G219 VanDerWaalsContact C-N 3.35Å; G217-G219 PolarHBondContact O-N 3.08Å; G219-L221 VanDerWaalsContact C-N 3.3Å; G219-L221 PolarHBondContact O-N 2.98Å; G219-F222 CarbonylContact O-C 3.6Å; G219-F222 WeakPolarHBondContact O-CA 3.33Å; G219-F222 WeakPolarHBondContact O-CB 3.38Å; G219-F222 PolarHBondContact O-N 3.39Å; G219-S223 PolarHBondContact O-N 3.25Å; G219-S223 PolarHBondContact O-OG 3.46Å; G219-S223 VanDerWaalsContact O-OG 3.11Å |
| 220 | D | 86.7 | Confident | 73.1 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 178.9 | -50.9 | -54.2 | 0 | 0 | 0 | 112.2 | G31 C34 G217 S224 | G31-D220 PolarHBondContact N-OD2 3.23Å; C34-D220 HydrophobicContact CB-CB 3.89Å; G217-D220 WeakPolarHBondContact CA-OD2 3.37Å; G217-D220 PolarHBondContact O-N 2.66Å; D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 3.25Å; D220-S224 VanDerWaalsContact O-N 3.1Å; D220-S224 PolarHBondContact O-OG 2.77Å |
| 221 | L | 85.6 | Confident | 75.9 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.9 | -179.7 | 56.2 | 0 | 0 | 0 | 111.8 | P38 G217 G219 S224 L225 I243 L256 L265 | P38-L221 HydrophobicContact CB-CD1 3.98Å; P38-L221 HydrophobicContact CG-CD1 3.33Å; G217-L221 PolarHBondContact O-N 3.27Å; G219-L221 VanDerWaalsContact C-N 3.3Å; G219-L221 PolarHBondContact O-N 2.98Å; L221-S224 WeakPolarHBondContact CA-OG 3.3Å; L221-S224 PolarHBondContact O-OG 3.39Å; L221-L225 HydrophobicContact CD1-CD1 3.88Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 4.1Å; L221-L225 WeakPolarHBondContact O-CB 3.27Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.9Å; L221-L225 VanDerWaalsContact O-N 3.07Å; L221-I243 HydrophobicContact CB-CD1 4.46Å; L221-I243 HydrophobicContact CD2-CD1 4.2Å; L221-I243 HydrophobicContact CD2-CG1 4.27Å; L221-I243 HydrophobicContact CD2-CG2 3.59Å; L221-I243 HydrophobicContact CG-CD1 4.02Å; L221-I243 HydrophobicContact CG-CG1 4.44Å; L221-L256 HydrophobicContact CD2-CD1 4.41Å; L221-L265 HydrophobicContact CD1-CD2 3.92Å; L221-L265 HydrophobicContact CD2-CD2 4.5Å |
| 222 | F | 85.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 36.1 Ų | 36.1 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -48.8 | 178.2 | 179.4 | -91.7 | 0 | 0 | 0 | 111.6 | V190 T192 T218 G219 S224 L225 L226 I243 | V190-F222 HydrophobicContact CG1-CE1 3.56Å; V190-F222 HydrophobicContact CG1-CZ 3.56Å; T192-F222 HydrophobicContact CG2-CD1 3.63Å; T192-F222 HydrophobicContact CG2-CE1 3.82Å; T218-F222 WeakPolarHBondContact O-CB 3.38Å; T218-F222 PolarHBondContact O-N 3.48Å; G219-F222 CarbonylContact O-C 3.6Å; G219-F222 WeakPolarHBondContact O-CA 3.33Å; G219-F222 WeakPolarHBondContact O-CB 3.38Å; G219-F222 PolarHBondContact O-N 3.39Å; F222-S224 PolarHBondContact O-N 3.06Å; F222-L225 PolarHBondContact O-N 2.84Å; F222-L226 HydrophobicContact CE1-CB 4.46Å; F222-L226 HydrophobicContact CE1-CD2 3.9Å; F222-L226 WeakPolarHBondContact O-CB 3.4Å; F222-L226 PolarHBondContact O-N 3.21Å; F222-I243 HydrophobicContact CB-CD1 3.99Å; F222-I243 HydrophobicContact CD2-CD1 4.31Å |
| 223 | S | 87.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | D124 T155 G219 L226 L227 | D124-S223 PolarHBondContact OD2-OG 3.33Å; T155-S223 PolarHBondContact OG1-OG 3.09Å; T155-S223 VanDerWaalsContact OG1-OG 3.14Å; G219-S223 PolarHBondContact O-N 3.25Å; G219-S223 PolarHBondContact O-OG 3.46Å; G219-S223 VanDerWaalsContact O-OG 3.11Å; S223-L226 PolarHBondContact O-N 3.48Å; S223-L227 PolarHBondContact O-N 3.07Å; S223-L227 VanDerWaalsContact O-N 3.08Å |
| 224 | S | 91.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -44.4 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | A35 D220 L221 F222 L227 V228 | A35-S224 WeakPolarHBondContact O-CB 3.43Å; D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 3.25Å; D220-S224 VanDerWaalsContact O-N 3.1Å; D220-S224 PolarHBondContact O-OG 2.77Å; L221-S224 WeakPolarHBondContact CA-OG 3.3Å; L221-S224 PolarHBondContact O-OG 3.39Å; F222-S224 PolarHBondContact O-N 3.06Å; S224-L227 WeakPolarHBondContact O-CB 3.45Å; S224-L227 PolarHBondContact O-N 2.88Å; S224-V228 PolarHBondContact O-N 3.32Å |
| 225 | L | 88.6 | Confident | 82.8 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 173.4 | -71.7 | 174.3 | 0 | 0 | 0 | 110.3 | P38 L221 F222 L227 V228 W229 I243 L265 | P38-L225 HydrophobicContact CB-CD2 3.85Å; P38-L225 HydrophobicContact CB-CG 4.24Å; L221-L225 HydrophobicContact CD1-CD1 3.88Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 4.1Å; L221-L225 WeakPolarHBondContact O-CB 3.27Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.9Å; L221-L225 VanDerWaalsContact O-N 3.07Å; F222-L225 PolarHBondContact O-N 2.84Å; L225-L227 PolarHBondContact O-N 3.02Å; L225-V228 WeakPolarHBondContact O-CA 3.36Å; L225-V228 WeakPolarHBondContact O-CB 3.41Å; L225-V228 PolarHBondContact O-N 2.81Å; L225-W229 VanDerWaalsContact C-CD1 3.47Å; L225-W229 PolarHBondContact O-N 2.98Å; L225-I243 HydrophobicContact CD1-CG1 4.43Å; L225-L265 HydrophobicContact CD1-CD2 4.19Å |
| 226 | L | 87.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.7 | -41.7 | 178.4 | -179 | 63.4 | 0 | 0 | 0 | 111.9 | I153 T155 V190 F222 S223 W229 L230 L237 V239 | I153-L226 HydrophobicContact CD1-CD2 3.71Å; I153-L226 HydrophobicContact CD1-CG 4.29Å; T155-L226 HydrophobicContact CG2-CD2 3.58Å; V190-L226 HydrophobicContact CB-CD2 4.26Å; V190-L226 HydrophobicContact CG1-CD2 4.42Å; V190-L226 HydrophobicContact CG2-CD2 4.19Å; F222-L226 HydrophobicContact CE1-CB 4.46Å; F222-L226 HydrophobicContact CE1-CD2 3.9Å; F222-L226 WeakPolarHBondContact O-CB 3.4Å; F222-L226 PolarHBondContact O-N 3.21Å; S223-L226 PolarHBondContact O-N 3.48Å; L226-W229 PolarHBondContact O-N 3.36Å; L226-L230 HydrophobicContact CD1-CD1 3.91Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.83Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 WeakPolarHBondContact O-CB 3.06Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 2.59Å; L226-L237 HydrophobicContact CD1-CD2 4.28Å; L226-V239 HydrophobicContact CD1-CG1 3.98Å |
| 227 | L | 92 | Very high | 82.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -54.2 | 172.7 | -173.9 | 157.9 | 0 | 0 | 0 | 111.8 | V18 M39 F44 H90 L92 V122 S223 S224 L225 W229 L230 H231 | V18-L227 HydrophobicContact CG1-CD1 4.07Å; V18-L227 HydrophobicContact CG2-CD2 4.17Å; M39-L227 HydrophobicContact SD-CD1 4.4Å; M39-L227 HydrophobicContact SD-CD2 4.33Å; F44-L227 HydrophobicContact CD1-CD2 4.06Å; F44-L227 HydrophobicContact CE1-CD2 3.57Å; F44-L227 HydrophobicContact CZ-CD2 4.27Å; H90-L227 HydrophobicContact CB-CD1 4.06Å; H90-L227 HydrophobicContact CB-CD2 4.2Å; H90-L227 HydrophobicContact CB-CG 4.4Å; L92-L227 HydrophobicContact CB-CD1 3.96Å; V122-L227 HydrophobicContact CG2-CB 4Å; V122-L227 HydrophobicContact CG2-CD1 3.96Å; V122-L227 HydrophobicContact CG2-CG 4.07Å; S223-L227 PolarHBondContact O-N 3.07Å; S223-L227 VanDerWaalsContact O-N 3.08Å; S224-L227 WeakPolarHBondContact O-CB 3.45Å; S224-L227 PolarHBondContact O-N 2.88Å; L225-L227 PolarHBondContact O-N 3.02Å; L227-W229 PolarHBondContact O-N 3.28Å; L227-L230 PolarHBondContact O-N 3.43Å; L227-H231 PolarHBondContact O-N 3.3Å |
| 228 | V | 90.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.1 | -45.2 | 178.1 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | M39 H42 F44 S224 L225 H231 K232 | M39-V228 HydrophobicContact CB-CG2 4.28Å; M39-V228 HydrophobicContact CG-CG2 3.9Å; H42-V228 HydrophobicContact CB-CG1 3.59Å; H42-V228 HydrophobicContact CB-CG2 4.09Å; F44-V228 HydrophobicContact CD2-CG2 4.06Å; F44-V228 HydrophobicContact CE2-CB 4.15Å; F44-V228 HydrophobicContact CE2-CG1 3.99Å; F44-V228 HydrophobicContact CE2-CG2 3.87Å; F44-V228 HydrophobicContact CZ-CB 4.42Å; F44-V228 HydrophobicContact CZ-CG2 4.3Å; S224-V228 PolarHBondContact O-N 3.32Å; L225-V228 WeakPolarHBondContact O-CA 3.36Å; L225-V228 WeakPolarHBondContact O-CB 3.41Å; L225-V228 PolarHBondContact O-N 2.81Å; V228-H231 WeakPolarHBondContact O-CB 3.27Å; V228-H231 PolarHBondContact O-N 3.27Å; V228-K232 HydrophobicContact CG1-CD 4.02Å; V228-K232 WeakPolarHBondContact O-CG 3.27Å; V228-K232 PolarHBondContact O-N 3.48Å |
| 229 | W | 85 | Confident | 80 | Confident | 33 Ų | 33 | 34 Ų | 34 | 13% | 0.125 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -80.4 | -32.6 | -171 | -67.4 | 115.5 | 0 | 0 | 0 | 113.2 | M7 H42 L225 L226 L227 H231 K232 S233 V239 F241 | M7-W229 HydrophobicContact CE-CE3 4.16Å; M7-W229 HydrophobicContact CE-CH2 3.53Å; M7-W229 HydrophobicContact CE-CZ3 3.27Å; M7-W229 HydrophobicContact SD-CH2 3.44Å; M7-W229 WeakPolarHBondContact SD-CH2 3.38Å; M7-W229 HydrophobicContact SD-CZ3 3.53Å; M7-W229 VanDerWaalsContact SD-CZ3 3.53Å; H42-W229 AromaticContact CE1-CZ2 3.85Å; L225-W229 VanDerWaalsContact C-CD1 3.47Å; L225-W229 PolarHBondContact O-N 2.98Å; L226-W229 PolarHBondContact O-N 3.36Å; L227-W229 PolarHBondContact O-N 3.28Å; W229-H231 VanDerWaalsContact C-N 3.3Å; W229-K232 PolarHBondContact O-N 3.42Å; W229-S233 WeakPolarHBondContact O-CB 3.42Å; W229-S233 PolarHBondContact O-N 2.98Å; W229-S233 PolarHBondContact O-OG 3.06Å; W229-V239 HydrophobicContact CB-CG1 4.23Å; W229-V239 HydrophobicContact CB-CG2 4.44Å; W229-F241 HydrophobicContact CB-CE1 4.16Å; W229-F241 HydrophobicContact CB-CE2 3.51Å; W229-F241 HydrophobicContact CB-CZ 3.23Å; W229-F241 AromaticContact CD1-CD1 3.65Å; W229-F241 AromaticContact CD1-CD2 3.48Å; W229-F241 VanDerWaalsContact CD1-CD2 3.48Å; W229-F241 AromaticContact CD1-CE1 3.29Å; W229-F241 AromaticContact CD1-CE2 2.84Å; W229-F241 AromaticContact CD1-CG 3.87Å; W229-F241 AromaticContact CD1-CZ 2.94Å; W229-F241 AromaticContact CD2-CD1 3.89Å; W229-F241 HydrophobicContact CD2-CD1 3.89Å; W229-F241 AromaticContact CD2-CE1 3.02Å; W229-F241 HydrophobicContact CD2-CE1 3.02Å; W229-F241 AromaticContact CD2-CE2 3.91Å; W229-F241 HydrophobicContact CD2-CE2 3.91Å; W229-F241 AromaticContact CD2-CZ 3.1Å; W229-F241 HydrophobicContact CD2-CZ 3.1Å; W229-F241 AromaticContact CE2-CD1 3.25Å; W229-F241 AromaticContact CE2-CE1 2.89Å; W229-F241 AromaticContact CE2-CZ 3.43Å; W229-F241 VanDerWaalsContact CE2-CZ 3.43Å; W229-F241 AromaticContact CE3-CE1 3.57Å; W229-F241 HydrophobicContact CE3-CE1 3.57Å; W229-F241 AromaticContact CE3-CZ 3.78Å; W229-F241 HydrophobicContact CE3-CZ 3.78Å; W229-F241 HydrophobicContact CG-CD1 4.12Å; W229-F241 HydrophobicContact CG-CD2 4.19Å; W229-F241 AromaticContact CG-CE1 3.31Å; W229-F241 HydrophobicContact CG-CE1 3.31Å; W229-F241 AromaticContact CG-CE2 3.18Å; W229-F241 HydrophobicContact CG-CE2 3.18Å; W229-F241 AromaticContact CG-CZ 2.8Å; W229-F241 HydrophobicContact CG-CZ 2.8Å; W229-F241 HydrophobicContact CH2-CD1 4.29Å; W229-F241 AromaticContact CH2-CE1 3.81Å; W229-F241 HydrophobicContact CH2-CE1 3.81Å; W229-F241 AromaticContact CZ2-CD1 3.5Å; W229-F241 HydrophobicContact CZ2-CD1 3.5Å; W229-F241 AromaticContact CZ2-CE1 3.33Å; W229-F241 HydrophobicContact CZ2-CE1 3.33Å; W229-F241 HydrophobicContact CZ2-CZ 4.28Å; W229-F241 AromaticContact CZ3-CE1 3.91Å; W229-F241 HydrophobicContact CZ3-CE1 3.91Å; W229-F241 AromaticContact NE1-CD1 3.16Å; W229-F241 AromaticContact NE1-CD2 3.76Å; W229-F241 AromaticContact NE1-CE1 3.13Å; W229-F241 AromaticContact NE1-CE2 3.49Å; W229-F241 AromaticContact NE1-CG 3.65Å; W229-F241 AromaticContact NE1-CZ 3.37Å |
| 230 | L | 85.6 | Confident | 78.2 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 169.1 | -73 | 170.8 | 0 | 0 | 0 | 110.9 | F120 I153 L226 L227 S233 N234 G235 L237 V239 | F120-L230 HydrophobicContact CE1-CB 4.26Å; F120-L230 HydrophobicContact CE1-CD1 4.03Å; F120-L230 HydrophobicContact CZ-CB 4.26Å; F120-L230 HydrophobicContact CZ-CD1 3.8Å; I153-L230 HydrophobicContact CD1-CD1 3.57Å; I153-L230 HydrophobicContact CG2-CD1 4.23Å; L226-L230 HydrophobicContact CD1-CD1 3.91Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.83Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 WeakPolarHBondContact O-CB 3.06Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 2.59Å; L227-L230 PolarHBondContact O-N 3.43Å; L230-S233 PolarHBondContact O-OG 2.89Å; L230-N234 PolarHBondContact O-N 3.09Å; L230-G235 WeakPolarHBondContact O-CA 3.46Å; L230-G235 PolarHBondContact O-N 2.88Å; L230-L237 HydrophobicContact CD2-CD2 3.95Å; L230-L237 HydrophobicContact CD2-CG 4.01Å; L230-V239 HydrophobicContact CD2-CG2 4.43Å |
| 231 | H | 90 | Very high | 76.1 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -55.4 | 171.7 | 180 | 81.4 | 0 | 0 | 0 | 111.6 | D13 F44 H90 L227 V228 W229 S233 N234 | D13-H231 IonicContact OD1-CD2 3.59Å; D13-H231 IonicContact OD1-NE2 2.88Å; F44-H231 HydrophobicContact CE1-CB 4.18Å; F44-H231 HydrophobicContact CZ-CB 3.64Å; F44-H231 AromaticContact CZ-CD2 3.6Å; F44-H231 AromaticContact CZ-CG 3.61Å; H90-H231 AromaticContact CE1-CE1 3.79Å; H90-H231 AromaticContact CE1-CG 3.97Å; H90-H231 AromaticContact CE1-ND1 3.15Å; H90-H231 PolarHBondContact CE1-ND1 3.42Å; H90-H231 AromaticContact NE2-CG 3.73Å; H90-H231 AromaticContact NE2-ND1 3.11Å; H90-H231 PolarHBondContact NE2-ND1 2.99Å; H90-H231 VanDerWaalsContact NE2-ND1 3.11Å; L227-H231 PolarHBondContact O-N 3.3Å; V228-H231 WeakPolarHBondContact O-CB 3.27Å; V228-H231 PolarHBondContact O-N 3.27Å; W229-H231 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 3.21Å; H231-S233 VanDerWaalsContact O-N 3.13Å; H231-N234 PolarHBondContact O-N 2.76Å; H231-N234 VanDerWaalsContact O-N 3.13Å |
| 232 | K | 85.3 | Confident | 73.8 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 27% | 0.265 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -21.3 | -176.8 | -70 | -174.9 | 178.1 | -175.1 | 0 | 114.5 | M7 D13 H42 V228 W229 | M7-K232 HydrophobicContact CE-CD 3.47Å; M7-K232 VanDerWaalsContact CE-CD 3.47Å; D13-K232 WeakPolarHBondContact OD1-CE 3.21Å; H42-K232 PolarHBondContact ND1-NZ 3.05Å; H42-K232 PolarHBondContact O-NZ 2.8Å; V228-K232 HydrophobicContact CG1-CD 4.02Å; V228-K232 WeakPolarHBondContact O-CG 3.27Å; V228-K232 PolarHBondContact O-N 3.48Å; W229-K232 PolarHBondContact O-N 3.42Å |
| 233 | S | 79.8 | Confident | 72 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 10.4 | 180 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | W229 L230 H231 G235 C236 | W229-S233 WeakPolarHBondContact O-CB 3.42Å; W229-S233 PolarHBondContact O-N 2.98Å; W229-S233 PolarHBondContact O-OG 3.06Å; L230-S233 PolarHBondContact O-OG 2.89Å; H231-S233 PolarHBondContact O-N 3.21Å; H231-S233 VanDerWaalsContact O-N 3.13Å; S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 2.93Å; S233-C236 WeakPolarHBondContact O-CB 3.3Å; S233-C236 PolarHBondContact O-N 3.34Å; S233-C236 PolarHBondContact OG-N 2.75Å; S233-C236 PolarHBondContact OG-O 2.88Å |
| 234 | N | 81.7 | Confident | 70.1 | Confident | 149 Ų | 149 | 45.5 Ų | 45.5 | 80% | 0.797 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44 | -174.4 | -68.8 | -22.6 | 0 | 0 | 0 | 112.9 | L230 H231 | L230-N234 PolarHBondContact O-N 3.09Å; H231-N234 PolarHBondContact O-N 2.76Å; H231-N234 VanDerWaalsContact O-N 3.13Å |
| 235 | G | 72.6 | Confident | 68 | Low | 25 Ų | 25 | 47 Ų | 47 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 6.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L230 S233 L237 | L230-G235 WeakPolarHBondContact O-CA 3.46Å; L230-G235 PolarHBondContact O-N 2.88Å; S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 2.93Å; G235-L237 PolarHBondContact O-N 3.19Å |
| 236 | C | 67.9 | Low | 65.9 | Low | 58 Ų | 58 | 50.9 Ų | 50.9 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | trans | -77.9 | 115.7 | 179.5 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | S233 L238 V239 | S233-C236 WeakPolarHBondContact O-CB 3.3Å; S233-C236 PolarHBondContact O-N 3.34Å; S233-C236 PolarHBondContact OG-N 2.75Å; S233-C236 PolarHBondContact OG-O 2.88Å; C236-L238 PolarHBondContact O-N 3.16Å; C236-V239 WeakPolarHBondContact O-CG2 3.5Å | ||
| 237 | L | 61.7 | Low | 63.6 | Low | 60 Ų | 60 | 52 Ų | 52 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | trans | -69.3 | 12.6 | 178.4 | -82.9 | 162.7 | 0 | 0 | 0 | 115.1 | I153 K188 V190 L226 L230 G235 V239 | I153-L237 HydrophobicContact CD1-CD2 4.11Å; K188-L237 HydrophobicContact CB-CD1 4.3Å; K188-L237 HydrophobicContact CD-CD1 3.78Å; K188-L237 HydrophobicContact CD-CG 4.23Å; K188-L237 HydrophobicContact CG-CD1 4.01Å; V190-L237 HydrophobicContact CG2-CD2 3.85Å; L226-L237 HydrophobicContact CD1-CD2 4.28Å; L230-L237 HydrophobicContact CD2-CD2 3.95Å; L230-L237 HydrophobicContact CD2-CG 4.01Å; G235-L237 PolarHBondContact O-N 3.19Å; L237-V239 PolarHBondContact O-N 2.84Å | ||
| 238 | L | 48.2 | Very low | 60.9 | Low | 119 Ų | 119 | 53.5 Ų | 53.5 | 62% | 0.623 | 28% | 0.28 | S | S | * | . | trans | -77.5 | 67.3 | 171.4 | -68.6 | 175.9 | 0 | 0 | 0 | 110.2 | C236 | C236-L238 PolarHBondContact O-N 3.16Š| ||
| 239 | V | 46.8 | Very low | 58.4 | Low | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | trans | -108 | 123.9 | -159.6 | 165.1 | 0 | 0 | 0 | 0 | 107.8 | L226 W229 L230 C236 L237 F241 I274 | L226-V239 HydrophobicContact CD1-CG1 3.98Å; W229-V239 HydrophobicContact CB-CG1 4.23Å; W229-V239 HydrophobicContact CB-CG2 4.44Å; L230-V239 HydrophobicContact CD2-CG2 4.43Å; C236-V239 WeakPolarHBondContact O-CG2 3.5Å; L237-V239 PolarHBondContact O-N 2.84Å; V239-F241 HydrophobicContact CB-CE2 4.11Å; V239-F241 HydrophobicContact CB-CZ 4.09Å; V239-F241 HydrophobicContact CG1-CD2 3.79Å; V239-F241 HydrophobicContact CG1-CE2 2.86Å; V239-F241 HydrophobicContact CG1-CZ 3.25Å; V239-I274 HydrophobicContact CB-CD1 4.13Å; V239-I274 VanDerWaalsContact O-CD1 3.25Å; V239-I274 WeakPolarHBondContact O-CD1 3.45Å; V239-I274 WeakPolarHBondContact O-CG1 3.41Å | ||
| 240 | R | 44.1 | Very low | 56.2 | Low | 164 Ų | 164 | 62.9 Ų | 62.9 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | trans | -118.8 | 80.6 | -162.7 | -84.7 | -169.5 | -177.2 | -172.3 | 4.7 | 111.4 | ||||
| 241 | F | 41 | Very low | 54.3 | Low | 34 Ų | 34 | 69.6 Ų | 69.6 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | trans | -127.7 | 154.5 | 173.8 | -38.8 | -52.8 | 0 | 0 | 0 | 113.1 | W229 V239 P268 | W229-F241 HydrophobicContact CB-CE1 4.16Å; W229-F241 HydrophobicContact CB-CE2 3.51Å; W229-F241 HydrophobicContact CB-CZ 3.23Å; W229-F241 AromaticContact CD1-CD1 3.65Å; W229-F241 AromaticContact CD1-CD2 3.48Å; W229-F241 VanDerWaalsContact CD1-CD2 3.48Å; W229-F241 AromaticContact CD1-CE1 3.29Å; W229-F241 AromaticContact CD1-CE2 2.84Å; W229-F241 AromaticContact CD1-CG 3.87Å; W229-F241 AromaticContact CD1-CZ 2.94Å; W229-F241 AromaticContact CD2-CD1 3.89Å; W229-F241 HydrophobicContact CD2-CD1 3.89Å; W229-F241 AromaticContact CD2-CE1 3.02Å; W229-F241 HydrophobicContact CD2-CE1 3.02Å; W229-F241 AromaticContact CD2-CE2 3.91Å; W229-F241 HydrophobicContact CD2-CE2 3.91Å; W229-F241 AromaticContact CD2-CZ 3.1Å; W229-F241 HydrophobicContact CD2-CZ 3.1Å; W229-F241 AromaticContact CE2-CD1 3.25Å; W229-F241 AromaticContact CE2-CE1 2.89Å; W229-F241 AromaticContact CE2-CZ 3.43Å; W229-F241 VanDerWaalsContact CE2-CZ 3.43Å; W229-F241 AromaticContact CE3-CE1 3.57Å; W229-F241 HydrophobicContact CE3-CE1 3.57Å; W229-F241 AromaticContact CE3-CZ 3.78Å; W229-F241 HydrophobicContact CE3-CZ 3.78Å; W229-F241 HydrophobicContact CG-CD1 4.12Å; W229-F241 HydrophobicContact CG-CD2 4.19Å; W229-F241 AromaticContact CG-CE1 3.31Å; W229-F241 HydrophobicContact CG-CE1 3.31Å; W229-F241 AromaticContact CG-CE2 3.18Å; W229-F241 HydrophobicContact CG-CE2 3.18Å; W229-F241 AromaticContact CG-CZ 2.8Å; W229-F241 HydrophobicContact CG-CZ 2.8Å; W229-F241 HydrophobicContact CH2-CD1 4.29Å; W229-F241 AromaticContact CH2-CE1 3.81Å; W229-F241 HydrophobicContact CH2-CE1 3.81Å; W229-F241 AromaticContact CZ2-CD1 3.5Å; W229-F241 HydrophobicContact CZ2-CD1 3.5Å; W229-F241 AromaticContact CZ2-CE1 3.33Å; W229-F241 HydrophobicContact CZ2-CE1 3.33Å; W229-F241 HydrophobicContact CZ2-CZ 4.28Å; W229-F241 AromaticContact CZ3-CE1 3.91Å; W229-F241 HydrophobicContact CZ3-CE1 3.91Å; W229-F241 AromaticContact NE1-CD1 3.16Å; W229-F241 AromaticContact NE1-CD2 3.76Å; W229-F241 AromaticContact NE1-CE1 3.13Å; W229-F241 AromaticContact NE1-CE2 3.49Å; W229-F241 AromaticContact NE1-CG 3.65Å; W229-F241 AromaticContact NE1-CZ 3.37Å; V239-F241 HydrophobicContact CB-CE2 4.11Å; V239-F241 HydrophobicContact CB-CZ 4.09Å; V239-F241 HydrophobicContact CG1-CD2 3.79Å; V239-F241 HydrophobicContact CG1-CE2 2.86Å; V239-F241 HydrophobicContact CG1-CZ 3.25Å; F241-P268 HydrophobicContact CD1-CG 4.44Å | ||
| 242 | Q | 38.9 | Very low | 52.3 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -124 | 121.3 | 166.1 | -173.7 | 169.2 | 37.7 | 0 | 0 | 107.7 | H244 S270 | Q242-H244 PolarHBondContact NE2-CE1 2.67Å; Q242-H244 PolarHBondContact OE1-CE1 3.12Å; Q242-H244 VanDerWaalsContact OE1-CE1 3.29Å; Q242-H244 PolarHBondContact OE1-NE2 3.27Å; Q242-S270 PolarHBondContact NE2-OG 2.81Å; Q242-S270 PolarHBondContact OE1-OG 3Å | ||
| 243 | I | 46.9 | Very low | 50.7 | Low | 37 Ų | 37 | 75 Ų | 75 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | trans | -88.5 | 110.2 | 169.8 | -62.5 | 173.5 | 0 | 0 | 0 | 106.8 | L221 F222 L225 P245 | L221-I243 HydrophobicContact CB-CD1 4.46Å; L221-I243 HydrophobicContact CD2-CD1 4.2Å; L221-I243 HydrophobicContact CD2-CG1 4.27Å; L221-I243 HydrophobicContact CD2-CG2 3.59Å; L221-I243 HydrophobicContact CG-CD1 4.02Å; L221-I243 HydrophobicContact CG-CG1 4.44Å; F222-I243 HydrophobicContact CB-CD1 3.99Å; F222-I243 HydrophobicContact CD2-CD1 4.31Å; L225-I243 HydrophobicContact CD1-CG1 4.43Å; I243-P245 WeakPolarHBondContact O-CD 2.99Å | ||
| 244 | H | 46.7 | Very low | 50 | Low | 67 Ų | 67 | 75 Ų | 75 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | trans | -60.1 | 86.4 | 153.1 | 23.6 | -105.2 | 0 | 0 | 0 | 116.6 | Q242 Y246 | Q242-H244 PolarHBondContact NE2-CE1 2.67Å; Q242-H244 PolarHBondContact OE1-CE1 3.12Å; Q242-H244 VanDerWaalsContact OE1-CE1 3.29Å; Q242-H244 PolarHBondContact OE1-NE2 3.27Å; H244-Y246 HydrophobicContact CB-CD2 4.11Å; H244-Y246 HydrophobicContact CB-CE1 4.49Å; H244-Y246 HydrophobicContact CB-CE2 3.83Å; H244-Y246 AromaticContact CD2-CZ 3.75Å; H244-Y246 PolarHBondContact CD2-OH 3.46Å; H244-Y246 PolarHBondContact O-N 3.13Å | ||
| 245 | P | 46.8 | Very low | 49.7 | Very low | 33 Ų | 33 | 68.9 Ų | 68.9 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | trans | -70.9 | 82.4 | 160.2 | 31.1 | -34.9 | 0 | 0 | 0 | 108.6 | F215 I243 G247 L256 | F215-P245 HydrophobicContact CD2-CB 3.71Å; F215-P245 HydrophobicContact CD2-CG 4.49Å; F215-P245 HydrophobicContact CE2-CB 3.82Å; F215-P245 HydrophobicContact CE2-CG 4.47Å; F215-P245 HydrophobicContact CG-CB 4.08Å; F215-P245 HydrophobicContact CZ-CB 4.31Å; I243-P245 WeakPolarHBondContact O-CD 2.99Å; P245-G247 PolarHBondContact O-N 3.42Å; P245-G247 VanDerWaalsContact O-N 3.16Å; P245-L256 HydrophobicContact CB-CD2 4.22Å | ||
| 246 | Y | 45.5 | Very low | 49.7 | Very low | 88 Ų | 88 | 68 Ų | 68 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | trans | -73.5 | 107.4 | 170.3 | -68 | -74.4 | 0 | 0 | 0 | 107.9 | H244 R257 S261 H264 | H244-Y246 HydrophobicContact CB-CD2 4.11Å; H244-Y246 HydrophobicContact CB-CE1 4.49Å; H244-Y246 HydrophobicContact CB-CE2 3.83Å; H244-Y246 AromaticContact CD2-CZ 3.75Å; H244-Y246 PolarHBondContact CD2-OH 3.46Å; H244-Y246 PolarHBondContact O-N 3.13Å; Y246-R257 VanDerWaalsContact O-CD 3.32Å; Y246-R257 WeakPolarHBondContact O-CD 3.43Å; Y246-R257 WeakPolarHBondContact O-CG 3.1Å; Y246-S261 WeakPolarHBondContact CD2-OG 2.95Å; Y246-H264 PolarHBondContact OH-NE2 3.07Å | ||
| 247 | G | 38.6 | Very low | 50.1 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | -59.7 | 165.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | P245 R257 | P245-G247 PolarHBondContact O-N 3.42Å; P245-G247 VanDerWaalsContact O-N 3.16Å; G247-R257 PolarHBondContact O-NE 3.04Å; G247-R257 PolarHBondContact O-NH2 3.37Å | ||
| 248 | A | 35.9 | Very low | 51.1 | Low | 30 Ų | 30 | 66.5 Ų | 66.5 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | trans | -59.7 | 159.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | T250 S253 R257 | A248-T250 VanDerWaalsContact C-N 3.28Å; A248-T250 WeakPolarHBondContact CB-O 3.28Å; A248-S253 WeakPolarHBondContact CB-O 3.2Å; A248-R257 PolarHBondContact O-NH2 2.72Å; A248-R257 VanDerWaalsContact O-NH2 3.14Å | ||
| 249 | L | 36.9 | Very low | 52.9 | Low | 149 Ų | 149 | 64.3 Ų | 64.3 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -78.2 | -12.4 | 167.5 | -86.4 | 162.8 | 0 | 0 | 0 | 112.5 | ||
| 250 | T | 38.7 | Very low | 54.7 | Low | 81 Ų | 81 | 70 Ų | 70 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -140.9 | 141.9 | -178.1 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | A248 K252 | A248-T250 VanDerWaalsContact C-N 3.28Å; A248-T250 WeakPolarHBondContact CB-O 3.28Å; T250-K252 PolarHBondContact O-N 2.79Å |
| 251 | P | 45.9 | Very low | 56.3 | Low | 144 Ų | 144 | 62.6 Ų | 62.6 | 94% | 0.935 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6 | -179.4 | -22.3 | 31.7 | 0 | 0 | 0 | 115.9 | ||
| 252 | K | 47.6 | Very low | 58.4 | Low | 192 Ų | 192 | 62.9 Ų | 62.9 | 84% | 0.835 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.8 | -167.8 | -76.1 | -173.6 | 175.7 | -179 | 0 | 114.9 | T250 | T250-K252 PolarHBondContact O-N 2.79Š|
| 253 | S | 52.7 | Low | 60.5 | Low | 23 Ų | 23 | 66.6 Ų | 66.6 | 16% | 0.161 | 36% | 0.356 | C | S | . | . | trans | -161.6 | 131.3 | 171.9 | 51 | 0 | 0 | 0 | 0 | 112.3 | Y60 A248 E255 | Y60-S253 WeakPolarHBondContact OH-CB 2.99Å; Y60-S253 PolarHBondContact OH-OG 3.17Å; A248-S253 WeakPolarHBondContact CB-O 3.2Å; S253-E255 PolarHBondContact O-N 3.14Å | ||
| 254 | L | 64.9 | Low | 61.8 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | trans | -83.6 | 71.8 | 179.4 | -63 | 168.7 | 0 | 0 | 0 | 109.7 | E213 R214 F215 | E213-L254 HydrophobicContact CB-CD1 3.39Å; E213-L254 HydrophobicContact CB-CD2 3.63Å; E213-L254 HydrophobicContact CB-CG 4.09Å; E213-L254 HydrophobicContact CG-CD1 3.86Å; E213-L254 HydrophobicContact CG-CD2 3.75Å; E213-L254 HydrophobicContact CG-CG 4.42Å; E213-L254 WeakPolarHBondContact OE2-CD2 3.44Å; R214-L254 VanDerWaalsContact O-CB 3.27Å; R214-L254 WeakPolarHBondContact O-CB 3.44Å; R214-L254 WeakPolarHBondContact O-CD1 3.48Å; F215-L254 HydrophobicContact CD1-CB 3.79Å; F215-L254 VanDerWaalsContact CD1-O 3.27Å; F215-L254 WeakPolarHBondContact CD1-O 3.34Å; F215-L254 HydrophobicContact CE1-CB 3.86Å; F215-L254 HydrophobicContact CE1-CD2 4.08Å; F215-L254 HydrophobicContact CG-CB 4.33Å; F215-L254 HydrophobicContact CZ-CB 4.49Å; F215-L254 HydrophobicContact CZ-CD2 4.14Å | ||
| 255 | E | 74.7 | Confident | 63.4 | Low | 22 Ų | 22 | 64.1 Ų | 64.1 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | trans | -87.9 | 142.2 | 178.7 | -62.8 | -69 | -179.9 | 0 | 0 | 111 | G28 Y29 H57 Y60 S253 | G28-E255 WeakPolarHBondContact CA-OE1 3.35Å; G28-E255 WeakPolarHBondContact CA-OE2 3.32Å; Y29-E255 PolarHBondContact N-OE2 3.25Å; H57-E255 IonicContact CD2-OE1 2.87Å; H57-E255 PolarHBondContact CD2-OE1 3.05Å; H57-E255 IonicContact NE2-OE1 3.29Å; H57-E255 PolarHBondContact NE2-OE1 3.37Å; Y60-E255 VanDerWaalsContact CE2-OE1 3.29Å; Y60-E255 WeakPolarHBondContact CE2-OE1 3.46Å; Y60-E255 PolarHBondContact OH-OE1 2.87Å; S253-E255 PolarHBondContact O-N 3.14Å | ||
| 256 | L | 72.9 | Confident | 65 | Low | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | trans | -67.8 | 140.7 | 173.1 | -66.1 | 173 | 0 | 0 | 0 | 111.1 | Y29 F215 V216 T218 L221 P245 I258 | Y29-L256 WeakPolarHBondContact CD2-O 3.4Å; Y29-L256 WeakPolarHBondContact CE2-O 3.15Å; F215-L256 HydrophobicContact CB-CD2 3.93Å; F215-L256 HydrophobicContact CB-CG 4.46Å; F215-L256 HydrophobicContact CD1-CD2 4.31Å; F215-L256 HydrophobicContact CG-CD2 4.26Å; V216-L256 WeakPolarHBondContact O-CD1 3.5Å; T218-L256 HydrophobicContact CG2-CD1 4.44Å; T218-L256 HydrophobicContact CG2-CD2 4.04Å; L221-L256 HydrophobicContact CD2-CD1 4.41Å; P245-L256 HydrophobicContact CB-CD2 4.22Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 4.37Å; L256-I258 HydrophobicContact CB-CG1 3.79Å; L256-I258 HydrophobicContact CD1-CD1 4.45Å; L256-I258 PolarHBondContact O-N 2.91Å | ||
| 257 | R | 77.7 | Confident | 66.5 | Low | 83 Ų | 83 | 65.3 Ų | 65.3 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | trans | -91.9 | 60.6 | 172.9 | -72.8 | -174.7 | -170.2 | -163.4 | 9.1 | 111.9 | Y246 G247 A248 Q260 S261 | Y246-R257 VanDerWaalsContact O-CD 3.32Å; Y246-R257 WeakPolarHBondContact O-CD 3.43Å; Y246-R257 WeakPolarHBondContact O-CG 3.1Å; G247-R257 PolarHBondContact O-NE 3.04Å; G247-R257 PolarHBondContact O-NH2 3.37Å; A248-R257 PolarHBondContact O-NH2 2.72Å; A248-R257 VanDerWaalsContact O-NH2 3.14Å; R257-Q260 HydrophobicContact CB-CB 4.32Å; R257-S261 VanDerWaalsContact O-CB 3.25Å; R257-S261 WeakPolarHBondContact O-CB 3.4Å; R257-S261 PolarHBondContact O-N 2.87Å; R257-S261 VanDerWaalsContact O-N 3.12Å; R257-S261 PolarHBondContact O-OG 2.65Å | ||
| 258 | I | 82.6 | Confident | 67.9 | Low | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -53 | -172.2 | -60.4 | -168.7 | 0 | 0 | 0 | 111.8 | Y29 C34 F37 P38 L256 Q260 S261 V262 L265 | Y29-I258 HydrophobicContact CD1-CB 4.07Å; Y29-I258 HydrophobicContact CD1-CD1 3.37Å; Y29-I258 HydrophobicContact CD1-CG1 3.81Å; Y29-I258 HydrophobicContact CD2-CG1 4.39Å; Y29-I258 HydrophobicContact CE1-CB 3.83Å; Y29-I258 HydrophobicContact CE1-CD1 4.03Å; Y29-I258 HydrophobicContact CE1-CG1 4.1Å; Y29-I258 HydrophobicContact CG-CD1 3.69Å; Y29-I258 HydrophobicContact CG-CG1 3.95Å; C34-I258 HydrophobicContact CB-CD1 4.01Å; C34-I258 WeakPolarHBondContact SG-CD1 3.17Å; F37-I258 HydrophobicContact CB-CG2 4.45Å; F37-I258 HydrophobicContact CD1-CG2 3.65Å; F37-I258 HydrophobicContact CE1-CG2 4.4Å; F37-I258 HydrophobicContact CG-CG2 4.46Å; P38-I258 HydrophobicContact CG-CG2 4.37Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 4.37Å; L256-I258 HydrophobicContact CB-CG1 3.79Å; L256-I258 HydrophobicContact CD1-CD1 4.45Å; L256-I258 PolarHBondContact O-N 2.91Å; I258-Q260 PolarHBondContact O-N 3.02Å; I258-S261 PolarHBondContact O-N 2.9Å; I258-S261 VanDerWaalsContact O-N 3.08Å; I258-V262 PolarHBondContact O-N 2.84Å; I258-L265 HydrophobicContact CG2-CD1 3.95Å |
| 259 | V | 86.1 | Confident | 69.2 | Low | 73 Ų | 73 | 72.3 Ų | 72.3 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64.2 | -41.8 | -176.5 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | Y29 S261 V262 | Y29-V259 WeakPolarHBondContact OH-CG2 3.38Å; V259-S261 PolarHBondContact O-N 2.71Å; V259-V262 PolarHBondContact O-N 3.04Å |
| 260 | Q | 82.9 | Confident | 70.1 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -70 | -15.9 | 178.2 | -61.6 | 79.6 | 8.3 | 0 | 0 | 112.8 | R257 I258 | R257-Q260 HydrophobicContact CB-CB 4.32Å; I258-Q260 PolarHBondContact O-N 3.02Å |
| 261 | S | 79.1 | Confident | 70.6 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -101.3 | 12.2 | -178.1 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | Y246 R257 I258 V259 D263 H264 L265 | Y246-S261 WeakPolarHBondContact CD2-OG 2.95Å; R257-S261 VanDerWaalsContact O-CB 3.25Å; R257-S261 WeakPolarHBondContact O-CB 3.4Å; R257-S261 PolarHBondContact O-N 2.87Å; R257-S261 VanDerWaalsContact O-N 3.12Å; R257-S261 PolarHBondContact O-OG 2.65Å; I258-S261 PolarHBondContact O-N 2.9Å; I258-S261 VanDerWaalsContact O-N 3.08Å; V259-S261 PolarHBondContact O-N 2.71Å; S261-D263 VanDerWaalsContact C-N 3.27Å; S261-D263 PolarHBondContact O-N 2.77Å; S261-H264 CarbonylContact O-C 3.53Å; S261-H264 WeakPolarHBondContact O-CA 3.4Å; S261-H264 WeakPolarHBondContact O-CB 3.43Å; S261-H264 PolarHBondContact O-N 3.14Å; S261-L265 PolarHBondContact O-N 3.38Å |
| 262 | V | 84.8 | Confident | 70.5 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.8 | -43.2 | -175.8 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | F37 V41 I258 V259 H264 L265 I266 | F37-V262 HydrophobicContact CE1-CB 3.97Å; F37-V262 HydrophobicContact CE1-CG2 3.95Å; F37-V262 HydrophobicContact CZ-CB 4.03Å; F37-V262 HydrophobicContact CZ-CG2 3.8Å; V41-V262 HydrophobicContact CB-CG2 4.39Å; V41-V262 HydrophobicContact CG1-CG2 3.87Å; I258-V262 PolarHBondContact O-N 2.84Å; V259-V262 PolarHBondContact O-N 3.04Å; V262-H264 VanDerWaalsContact C-N 3.25Å; V262-H264 PolarHBondContact O-N 3.13Å; V262-L265 WeakPolarHBondContact O-CB 3.25Å; V262-L265 PolarHBondContact O-N 3.48Å; V262-L265 VanDerWaalsContact O-N 3.1Å; V262-I266 HydrophobicContact CG2-CD1 3.87Å; V262-I266 HydrophobicContact CG2-CG1 4.37Å; V262-I266 WeakPolarHBondContact O-CG1 3.29Å; V262-I266 PolarHBondContact O-N 3.41Å |
| 263 | D | 82.5 | Confident | 70.3 | Confident | 119 Ų | 119 | 60.4 Ų | 60.4 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.1 | -36.1 | 177.6 | -69.1 | -22.9 | 0 | 0 | 0 | 112.2 | S261 N267 | S261-D263 VanDerWaalsContact C-N 3.27Å; S261-D263 PolarHBondContact O-N 2.77Å; D263-N267 CarbonylContact O-C 3.51Å; D263-N267 WeakPolarHBondContact O-CA 3.48Å; D263-N267 WeakPolarHBondContact O-CB 3.29Å; D263-N267 PolarHBondContact O-N 2.88Å |
| 264 | H | 75.6 | Confident | 70.1 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.6 | -27.4 | 177.5 | -61.4 | 91.1 | 0 | 0 | 0 | 112.4 | Y246 S261 V262 P268 K269 | Y246-H264 PolarHBondContact OH-NE2 3.07Å; S261-H264 CarbonylContact O-C 3.53Å; S261-H264 WeakPolarHBondContact O-CA 3.4Å; S261-H264 WeakPolarHBondContact O-CB 3.43Å; S261-H264 PolarHBondContact O-N 3.14Å; V262-H264 VanDerWaalsContact C-N 3.25Å; V262-H264 PolarHBondContact O-N 3.13Å; H264-P268 WeakPolarHBondContact O-CA 3.17Å; H264-K269 WeakPolarHBondContact NE2-CD 3.11Å; H264-K269 VanDerWaalsContact NE2-CE 3.27Å; H264-K269 WeakPolarHBondContact NE2-CE 2.96Å; H264-K269 PolarHBondContact NE2-NZ 3.46Å |
| 265 | L | 78.4 | Confident | 69.1 | Low | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 172.1 | -65.4 | 175.3 | 0 | 0 | 0 | 110.3 | F37 P38 H42 L221 L225 I258 S261 V262 | F37-L265 HydrophobicContact CD1-CD1 4.11Å; F37-L265 HydrophobicContact CE1-CD1 4.16Å; P38-L265 HydrophobicContact CG-CD1 4.21Å; H42-L265 PolarHBondContact NE2-O 2.96Å; L221-L265 HydrophobicContact CD1-CD2 3.92Å; L221-L265 HydrophobicContact CD2-CD2 4.5Å; L225-L265 HydrophobicContact CD1-CD2 4.19Å; I258-L265 HydrophobicContact CG2-CD1 3.95Å; S261-L265 PolarHBondContact O-N 3.38Å; V262-L265 WeakPolarHBondContact O-CB 3.25Å; V262-L265 PolarHBondContact O-N 3.48Å; V262-L265 VanDerWaalsContact O-N 3.1Å |
| 266 | I | 81.7 | Confident | 67.9 | Low | 53 Ų | 53 | 66.1 Ų | 66.1 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.7 | -46 | 180 | -59.4 | 171 | 0 | 0 | 0 | 111 | V41 V262 | V41-I266 HydrophobicContact CB-CD1 4.09Å; V41-I266 HydrophobicContact CB-CG1 4.02Å; V41-I266 HydrophobicContact CG2-CD1 4.45Å; V41-I266 HydrophobicContact CG2-CG1 3.86Å; V262-I266 HydrophobicContact CG2-CD1 3.87Å; V262-I266 HydrophobicContact CG2-CG1 4.37Å; V262-I266 WeakPolarHBondContact O-CG1 3.29Å; V262-I266 PolarHBondContact O-N 3.41Å |
| 267 | N | 77 | Confident | 66.8 | Low | 92 Ų | 92 | 70.8 Ų | 70.8 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -130.8 | 80.3 | -173.7 | -65 | -60.1 | 0 | 0 | 0 | 110.8 | D263 K269 | D263-N267 CarbonylContact O-C 3.51Å; D263-N267 WeakPolarHBondContact O-CA 3.48Å; D263-N267 WeakPolarHBondContact O-CB 3.29Å; D263-N267 PolarHBondContact O-N 2.88Å; N267-K269 PolarHBondContact O-N 3.42Å |
| 268 | P | 68.3 | Low | 64.9 | Low | 37 Ų | 37 | 69 Ų | 69 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | trans | -61.7 | 127.2 | 179.4 | 25.1 | -33.9 | 0 | 0 | 0 | 110.7 | F241 H264 S270 | F241-P268 HydrophobicContact CD1-CG 4.44Å; H264-P268 WeakPolarHBondContact O-CA 3.17Å; P268-S270 PolarHBondContact O-N 2.78Å | ||
| 269 | K | 62.5 | Low | 62.5 | Low | 168 Ų | 168 | 73.8 Ų | 73.8 | 73% | 0.73 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -68.1 | -17.8 | -178.1 | -69.6 | 179.5 | 179.2 | 158.8 | 0 | 113.7 | H264 N267 | H264-K269 WeakPolarHBondContact NE2-CD 3.11Å; H264-K269 VanDerWaalsContact NE2-CE 3.27Å; H264-K269 WeakPolarHBondContact NE2-CE 2.96Å; H264-K269 PolarHBondContact NE2-NZ 3.46Å; N267-K269 PolarHBondContact O-N 3.42Å |
| 270 | S | 54.7 | Low | 59.7 | Low | 50 Ų | 50 | 75 Ų | 75 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -141.3 | 158 | 175.4 | 116 | 0 | 0 | 0 | 0 | 110.2 | Q242 P268 | Q242-S270 PolarHBondContact NE2-OG 2.81Å; Q242-S270 PolarHBondContact OE1-OG 3Å; P268-S270 PolarHBondContact O-N 2.78Å |
| 271 | S | 50.2 | Low | 56.9 | Low | 58 Ų | 58 | 74.1 Ų | 74.1 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | trans | -134.7 | 136.3 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 272 | V | 44.6 | Very low | 54.2 | Low | 38 Ų | 38 | 82.3 Ų | 82.3 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | trans | -89.7 | 129.9 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | Y206 I274 | Y206-V272 WeakPolarHBondContact O-CG1 3.37Å; Y206-V272 VanDerWaalsContact O-CG2 3.26Å; Y206-V272 WeakPolarHBondContact O-CG2 2.94Å; V272-I274 PolarHBondContact O-N 2.91Å | ||
| 273 | K | 42.8 | Very low | 51 | Low | 171 Ų | 171 | 90.2 Ų | 90.2 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | trans | -81.1 | 106.9 | 171.7 | -173.5 | 178.6 | 179.8 | -178.1 | 0 | 108.7 | T275 | K273-T275 PolarHBondContact O-N 2.6Š| ||
| 274 | I | 49 | Very low | 48.2 | Very low | 63 Ų | 63 | 93.5 Ų | 93.5 | 32% | 0.323 | 49% | 0.487 | S | S | . | . | trans | -70.8 | 119.8 | 168.2 | -56.8 | 177.4 | 0 | 0 | 0 | 107.5 | V239 V272 | V239-I274 HydrophobicContact CB-CD1 4.13Å; V239-I274 VanDerWaalsContact O-CD1 3.25Å; V239-I274 WeakPolarHBondContact O-CD1 3.45Å; V239-I274 WeakPolarHBondContact O-CG1 3.41Å; V272-I274 PolarHBondContact O-N 2.91Å | ||
| 275 | T | 43.7 | Very low | 46.8 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | trans | -102.6 | 114.6 | 173.3 | -55.8 | 0 | 0 | 0 | 0 | 107.4 | K273 K277 | K273-T275 PolarHBondContact O-N 2.6Å; T275-K277 PolarHBondContact O-N 2.81Å; T275-K277 VanDerWaalsContact O-N 3.13Å | ||
| 276 | P | 48.9 | Very low | 45.2 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | trans | -58 | 119.6 | 175.9 | -21.1 | 31.5 | 0 | 0 | 0 | 109.7 | T278 | P276-T278 VanDerWaalsContact C-N 3.34Š| ||
| 277 | K | 50.1 | Low | 43.2 | Very low | 104 Ų | 104 | 103.2 Ų | 103.2 | 45% | 0.452 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -83.8 | -15.8 | 170.9 | -70.4 | -58.9 | -168.1 | 81.7 | 0 | 112.3 | E172 I176 T275 | E172-K277 IonicContact OE1-NZ 3.81Å; E172-K277 PolarHBondContact OE1-NZ 2.82Å; E172-K277 IonicContact OE2-NZ 3.97Å; I176-K277 HydrophobicContact CD1-CB 4.24Å; T275-K277 PolarHBondContact O-N 2.81Å; T275-K277 VanDerWaalsContact O-N 3.13Å |
| 278 | T | 38.3 | Very low | 41.2 | Very low | 47 Ų | 47 | 103.8 Ų | 103.8 | 29% | 0.288 | 54% | 0.542 | S | S | . | . | trans | -132.7 | 94 | 174.8 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | I176 P276 | I176-T278 HydrophobicContact CG2-CG2 3.9Å; P276-T278 VanDerWaalsContact C-N 3.34Å | ||
| 279 | T | 32.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 108 Ų | 108 | 63% | 0.632 | 56% | 0.56 | S | S | * | * | trans | -90.8 | 90.1 | 154.2 | -47.5 | 0 | 0 | 0 | 0 | 105.9 | I281 | T279-I281 HydrophobicContact CG2-CD1 4.39Å; T279-I281 HydrophobicContact CG2-CG1 3.6Å; T279-I281 PolarHBondContact O-N 3.16Å | ||
| 280 | L | 26.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 104 Ų | 104 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | trans | -72.8 | 90.1 | 160.9 | -80 | 163.8 | 0 | 0 | 0 | 105.8 | Y282 | L280-Y282 VanDerWaalsContact C-N 3.3Å; L280-Y282 HydrophobicContact CB-CD2 4.39Å; L280-Y282 HydrophobicContact CB-CE2 4.06Å; L280-Y282 PolarHBondContact O-N 3.46Å | ||
| 281 | I | 22.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 107.9 Ų | 107.9 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | trans | -67.1 | 98.9 | 163.2 | -55.5 | 176.8 | 0 | 0 | 0 | 104.8 | T279 Y283 | T279-I281 HydrophobicContact CG2-CD1 4.39Å; T279-I281 HydrophobicContact CG2-CG1 3.6Å; T279-I281 PolarHBondContact O-N 3.16Å; I281-Y283 HydrophobicContact CB-CD2 4.39Å; I281-Y283 HydrophobicContact CB-CE2 4.12Å; I281-Y283 HydrophobicContact CG2-CD2 3.69Å; I281-Y283 HydrophobicContact CG2-CE1 4.39Å; I281-Y283 HydrophobicContact CG2-CE2 3.42Å; I281-Y283 VanDerWaalsContact CG2-CE2 3.42Å; I281-Y283 HydrophobicContact CG2-CG 4.3Å; I281-Y283 PolarHBondContact O-N 3.03Å | ||
| 282 | Y | 22.4 | Very low | 35.7 | Very low | 181 Ų | 181 | 111.7 Ų | 111.7 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | trans | -69.7 | 107.6 | 163.1 | -74.1 | -83.4 | 0 | 0 | 0 | 106.9 | L280 | L280-Y282 VanDerWaalsContact C-N 3.3Å; L280-Y282 HydrophobicContact CB-CD2 4.39Å; L280-Y282 HydrophobicContact CB-CE2 4.06Å; L280-Y282 PolarHBondContact O-N 3.46Å | ||
| 283 | Y | 18.1 | Very low | 35 | Very low | 207 Ų | 207 | 117.8 Ų | 117.8 | 81% | 0.812 | 60% | 0.604 | S | S | * | * | trans | -85.1 | 108.5 | 159.1 | -73.4 | -83.7 | 0 | 0 | 0 | 107.5 | I281 | I281-Y283 HydrophobicContact CB-CD2 4.39Å; I281-Y283 HydrophobicContact CB-CE2 4.12Å; I281-Y283 HydrophobicContact CG2-CD2 3.69Å; I281-Y283 HydrophobicContact CG2-CE1 4.39Å; I281-Y283 HydrophobicContact CG2-CE2 3.42Å; I281-Y283 VanDerWaalsContact CG2-CE2 3.42Å; I281-Y283 HydrophobicContact CG2-CG 4.3Å; I281-Y283 PolarHBondContact O-N 3.03Å | ||
| 284 | S | 24.2 | Very low | 34.2 | Very low | 187 Ų | 187 | 113 Ų | 113 | 100% | 1.308 | 59% | 0.592 | S | S | * | * | trans | -143.6 | 0 | 144.8 | 67 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 284 of 284 residues in 83.8 ms
(Link to these results)