| 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 | 37.6 | Very low | 50.5 | Low | 242 Ų | 242 | 112.5 Ų | 112.5 | 100% | 1.192 | 67% | 0.67 | S | S | * | * | 0 | 124.5 | 0 | -91.8 | 171.4 | 163.3 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 2.78Š| |||
| 2 | A | 39.7 | Very low | 52.9 | Low | 99 Ų | 99 | 111 Ų | 111 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -45.7 | 132.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L4 | A2-L4 PolarHBondContact O-N 3.2Š| ||
| 3 | S | 41 | Very low | 55.6 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | -52.4 | 128.3 | 179.8 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | M1 V5 | M1-S3 PolarHBondContact O-N 2.78Å; S3-V5 PolarHBondContact O-N 3.5Å; S3-V5 VanDerWaalsContact OG-CG2 3.26Å; S3-V5 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 4 | L | 44.5 | Very low | 58.1 | Low | 166 Ų | 166 | 102.4 Ų | 102.4 | 87% | 0.869 | 61% | 0.61 | S | S | * | * | trans | -64 | 44.3 | 163.7 | -75.4 | 152.9 | 0 | 0 | 0 | 110.9 | A2 T6 | A2-L4 PolarHBondContact O-N 3.2Å; L4-T6 PolarHBondContact O-N 3.15Å | ||
| 5 | V | 40.6 | Very low | 60.3 | Low | 99 Ų | 99 | 100.2 Ų | 100.2 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | trans | -67.1 | 82.7 | 158.8 | 178.5 | 0 | 0 | 0 | 0 | 103.5 | S3 P7 | S3-V5 PolarHBondContact O-N 3.5Å; S3-V5 VanDerWaalsContact OG-CG2 3.26Å; S3-V5 WeakPolarHBondContact OG-CG2 3.44Å; V5-P7 WeakPolarHBondContact O-CD 3.31Å; V5-P7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | T | 48.7 | Very low | 62.1 | Low | 77 Ų | 77 | 94.4 Ų | 94.4 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | trans | -39.6 | 120.4 | 145.5 | 39.6 | 0 | 0 | 0 | 0 | 104.4 | L4 T8 P239 | L4-T6 PolarHBondContact O-N 3.15Å; T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.03Å; T6-P239 HydrophobicContact CG2-CB 4.33Å; T6-P239 HydrophobicContact CG2-CG 3.68Å | ||
| 7 | P | 46.5 | Very low | 64 | Low | 98 Ų | 98 | 96.7 Ų | 96.7 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | trans | -50.3 | 115.4 | 172.1 | -20.5 | 29.9 | 0 | 0 | 0 | 103.9 | V5 L9 | V5-P7 WeakPolarHBondContact O-CD 3.31Å; V5-P7 VanDerWaalsContact O-N 3.11Å; P7-L9 PolarHBondContact O-N 3.1Å | ||
| 8 | T | 52.9 | Low | 65.7 | Low | 126 Ų | 126 | 99.1 Ų | 99.1 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | trans | -59.9 | 88.4 | 163.5 | 39.2 | 0 | 0 | 0 | 0 | 102.3 | T6 D10 | T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.03Å; T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.6Å | ||
| 9 | L | 60 | Low | 67.3 | Low | 84 Ų | 84 | 94.5 Ų | 94.5 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | trans | -56 | 101.4 | -174.7 | -79.4 | 169 | 0 | 0 | 0 | 104 | P7 S11 Y85 | P7-L9 PolarHBondContact O-N 3.1Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.34Å; L9-Y85 HydrophobicContact CB-CE1 4.06Å; L9-Y85 HydrophobicContact CD1-CE1 4.03Å | ||
| 10 | D | 69.9 | Low | 68.7 | Low | 94 Ų | 94 | 94.9 Ų | 94.9 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | trans | -55.1 | 103.1 | -170.4 | 170.2 | 16.5 | 0 | 0 | 0 | 106.6 | T8 N12 S13 L16 | T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.6Å; D10-N12 PolarHBondContact O-N 3.34Å; D10-N12 WeakPolarHBondContact OD1-CA 3.39Å; D10-N12 WeakPolarHBondContact OD1-CB 3.34Å; D10-N12 PolarHBondContact OD1-N 3.1Å; D10-S13 WeakPolarHBondContact O-CB 3.44Å; D10-S13 PolarHBondContact O-N 3.49Å; D10-S13 WeakPolarHBondContact OD2-CA 3.34Å; D10-S13 PolarHBondContact OD2-N 3.33Å; D10-L16 VanDerWaalsContact O-CD1 3.26Å; D10-L16 WeakPolarHBondContact O-CD1 3.44Å | ||
| 11 | S | 73.7 | Confident | 70.1 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.6 | -175.6 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | L9 R20 | L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.34Å; S11-R20 PolarHBondContact O-NH1 3.21Å; S11-R20 PolarHBondContact O-NH2 3.11Å; S11-R20 VanDerWaalsContact O-NH2 3.15Å |
| 12 | N | 79.9 | Confident | 73 | Confident | 94 Ų | 94 | 86 Ų | 86 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 15.6 | 177.8 | -73.2 | -33 | 0 | 0 | 0 | 114.6 | D10 R17 R20 | D10-N12 PolarHBondContact O-N 3.34Å; D10-N12 WeakPolarHBondContact OD1-CA 3.39Å; D10-N12 WeakPolarHBondContact OD1-CB 3.34Å; D10-N12 PolarHBondContact OD1-N 3.1Å; N12-R17 PolarHBondContact O-NH1 3.44Å; N12-R20 PolarHBondContact OD1-NH2 3.42Å |
| 13 | S | 87.3 | Confident | 75.8 | Confident | 25 Ų | 25 | 81.8 Ų | 81.8 | 18% | 0.175 | 43% | 0.434 | C | S | . | . | trans | -56.1 | 150.4 | 174.8 | 78.6 | 0 | 0 | 0 | 0 | 111.5 | D10 E15 L16 R17 | D10-S13 WeakPolarHBondContact O-CB 3.44Å; D10-S13 PolarHBondContact O-N 3.49Å; D10-S13 WeakPolarHBondContact OD2-CA 3.34Å; D10-S13 PolarHBondContact OD2-N 3.33Å; S13-E15 PolarHBondContact O-N 3.24Å; S13-E15 VanDerWaalsContact O-N 3.09Å; S13-L16 PolarHBondContact O-N 3.34Å; S13-L16 WeakPolarHBondContact OG-CG 3.4Å; S13-L16 PolarHBondContact OG-N 2.98Å; S13-R17 PolarHBondContact O-N 2.69Å | ||
| 14 | P | 90.6 | Very high | 78.5 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.2 | -32.5 | 178 | -26.1 | 33.8 | 0 | 0 | 0 | 113.6 | R18 | P14-R18 WeakPolarHBondContact O-CG 3.42Å; P14-R18 PolarHBondContact O-N 3.3Å; P14-R18 VanDerWaalsContact O-N 3.16Å |
| 15 | E | 91.1 | Very high | 81 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 33% | 0.327 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 177.5 | -50.7 | -161.5 | 128.3 | 0 | 0 | 112.1 | S13 R17 R18 F19 N232 Y233 | S13-E15 PolarHBondContact O-N 3.24Å; S13-E15 VanDerWaalsContact O-N 3.09Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.39Å; E15-R18 WeakPolarHBondContact O-CB 3.46Å; E15-R18 PolarHBondContact O-N 3.11Å; E15-R18 IonicContact OE1-NH2 3.1Å; E15-F19 PolarHBondContact O-N 3.4Å; E15-N232 PolarHBondContact OE1-ND2 3.36Å; E15-Y233 HydrophobicContact CB-CE1 4.41Å; E15-Y233 WeakPolarHBondContact O-CE1 3.37Å |
| 16 | L | 89.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.1 | -30 | 178.2 | -64.2 | -177.4 | 0 | 0 | 0 | 112.7 | D10 S13 F19 R20 Y85 | D10-L16 VanDerWaalsContact O-CD1 3.26Å; D10-L16 WeakPolarHBondContact O-CD1 3.44Å; S13-L16 PolarHBondContact O-N 3.34Å; S13-L16 WeakPolarHBondContact OG-CG 3.4Å; S13-L16 PolarHBondContact OG-N 2.98Å; L16-F19 PolarHBondContact O-N 3.41Å; L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 3.17Å; L16-Y85 WeakPolarHBondContact CD1-OH 3.34Å |
| 17 | R | 93.6 | Very high | 86.2 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 170.1 | -65.3 | -166.3 | -53.8 | -96.8 | 8.9 | 111.3 | N12 S13 E15 R20 F21 | N12-R17 PolarHBondContact O-NH1 3.44Å; S13-R17 PolarHBondContact O-N 2.69Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.39Å; R17-R20 PolarHBondContact O-N 2.89Å; R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 2.77Å |
| 18 | R | 95.6 | Very high | 88.6 | Confident | 139 Ų | 139 | 69.8 Ų | 69.8 | 53% | 0.525 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.2 | -71.7 | -175.1 | -66.3 | -176.6 | 2 | 112.1 | P14 E15 F21 G22 | P14-R18 WeakPolarHBondContact O-CG 3.42Å; P14-R18 PolarHBondContact O-N 3.3Å; P14-R18 VanDerWaalsContact O-N 3.16Å; E15-R18 WeakPolarHBondContact O-CB 3.46Å; E15-R18 PolarHBondContact O-N 3.11Å; E15-R18 IonicContact OE1-NH2 3.1Å; R18-F21 PolarHBondContact O-N 3.18Å; R18-G22 PolarHBondContact O-N 3.17Å |
| 19 | F | 95.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -52.6 | 174.4 | 175.1 | -113.6 | 0 | 0 | 0 | 111.7 | E15 L16 F21 G22 C23 R81 M82 L227 Y233 | E15-F19 PolarHBondContact O-N 3.4Å; L16-F19 PolarHBondContact O-N 3.41Å; F19-F21 PolarHBondContact O-N 2.9Å; F19-G22 PolarHBondContact O-N 2.88Å; F19-G22 VanDerWaalsContact O-N 3.16Å; F19-C23 VanDerWaalsContact CE2-SG 3.51Å; F19-C23 WeakPolarHBondContact CZ-SG 3.46Å; F19-C23 PolarHBondContact O-N 3.04Å; F19-R81 WeakPolarHBondContact CE1-O 3.47Å; F19-R81 HydrophobicContact CE2-CB 3.85Å; F19-R81 VanDerWaalsContact CZ-C 3.48Å; F19-R81 HydrophobicContact CZ-CB 3.67Å; F19-R81 WeakPolarHBondContact CZ-O 3.26Å; F19-M82 HydrophobicContact CZ-CG 4.12Å; F19-L227 HydrophobicContact CD2-CD2 3.73Å; F19-L227 HydrophobicContact CE2-CD2 4.11Å; F19-Y233 HydrophobicContact CB-CD1 3.69Å; F19-Y233 HydrophobicContact CB-CD2 4.31Å; F19-Y233 HydrophobicContact CB-CE1 3.66Å; F19-Y233 HydrophobicContact CB-CE2 4.27Å; F19-Y233 HydrophobicContact CB-CG 4.05Å; F19-Y233 HydrophobicContact CD2-CD1 4.09Å; F19-Y233 AromaticContact CD2-CD2 3.5Å; F19-Y233 HydrophobicContact CD2-CD2 3.5Å; F19-Y233 VanDerWaalsContact CD2-CD2 3.5Å; F19-Y233 HydrophobicContact CD2-CE2 4.06Å; F19-Y233 AromaticContact CD2-CG 3.52Å; F19-Y233 HydrophobicContact CD2-CG 3.52Å; F19-Y233 HydrophobicContact CE2-CD2 4.29Å; F19-Y233 HydrophobicContact CE2-CG 4.32Å; F19-Y233 HydrophobicContact CG-CD1 4.11Å; F19-Y233 HydrophobicContact CG-CD2 4.29Å; F19-Y233 HydrophobicContact CG-CE1 4.5Å; F19-Y233 HydrophobicContact CG-CG 4.01Å |
| 20 | R | 95.8 | Very high | 92.6 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 179 | -75.4 | -170.1 | -68.8 | -89.7 | 15 | 112 | S11 N12 L16 R17 G22 C23 T24 | S11-R20 PolarHBondContact O-NH1 3.21Å; S11-R20 PolarHBondContact O-NH2 3.11Å; S11-R20 VanDerWaalsContact O-NH2 3.15Å; N12-R20 PolarHBondContact OD1-NH2 3.42Å; L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 3.17Å; R17-R20 PolarHBondContact O-N 2.89Å; R20-G22 VanDerWaalsContact C-N 3.34Å; R20-G22 PolarHBondContact O-N 3.06Å; R20-C23 WeakPolarHBondContact O-CB 3.3Å; R20-C23 PolarHBondContact O-N 2.73Å; R20-T24 PolarHBondContact O-N 3Å; R20-T24 PolarHBondContact O-OG1 3.15Å; R20-T24 VanDerWaalsContact O-OG1 3.14Å |
| 21 | F | 97.1 | Very high | 94 | Very high | 147 Ų | 147 | 60.7 Ų | 60.7 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | 175.5 | 178.1 | -103.6 | 0 | 0 | 0 | 111.6 | R17 R18 F19 C23 T24 V25 | R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 2.77Å; R18-F21 PolarHBondContact O-N 3.18Å; F19-F21 PolarHBondContact O-N 2.9Å; F21-C23 PolarHBondContact O-N 3.25Å; F21-T24 WeakPolarHBondContact O-CB 3.4Å; F21-T24 PolarHBondContact O-N 3.32Å; F21-V25 HydrophobicContact CD1-CG2 4.34Å; F21-V25 HydrophobicContact CE1-CG2 3.92Å; F21-V25 HydrophobicContact CE2-CG2 4.23Å; F21-V25 HydrophobicContact CZ-CG2 3.85Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 3Å |
| 22 | G | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R18 F19 R20 V25 A26 | R18-G22 PolarHBondContact O-N 3.17Å; F19-G22 PolarHBondContact O-N 2.88Å; F19-G22 VanDerWaalsContact O-N 3.16Å; R20-G22 VanDerWaalsContact C-N 3.34Å; R20-G22 PolarHBondContact O-N 3.06Å; G22-V25 PolarHBondContact O-N 2.94Å; G22-A26 WeakPolarHBondContact O-CB 3.37Å; G22-A26 PolarHBondContact O-N 2.88Å |
| 23 | C | 98 | Very high | 96.1 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 172.5 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | F19 R20 F21 V25 A26 H27 | F19-C23 VanDerWaalsContact CE2-SG 3.51Å; F19-C23 WeakPolarHBondContact CZ-SG 3.46Å; F19-C23 PolarHBondContact O-N 3.04Å; R20-C23 WeakPolarHBondContact O-CB 3.3Å; R20-C23 PolarHBondContact O-N 2.73Å; F21-C23 PolarHBondContact O-N 3.25Å; C23-V25 VanDerWaalsContact C-N 3.31Å; C23-V25 PolarHBondContact O-N 3.35Å; C23-A26 WeakPolarHBondContact O-CB 3.29Å; C23-A26 PolarHBondContact O-N 2.93Å; C23-H27 PolarHBondContact O-N 2.78Å; C23-H27 PolarHBondContact O-ND1 3.03Å |
| 24 | T | 98.2 | Very high | 96.6 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 176 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | R20 F21 H27 M28 | R20-T24 PolarHBondContact O-N 3Å; R20-T24 PolarHBondContact O-OG1 3.15Å; R20-T24 VanDerWaalsContact O-OG1 3.14Å; F21-T24 WeakPolarHBondContact O-CB 3.4Å; F21-T24 PolarHBondContact O-N 3.32Å; T24-H27 PolarHBondContact O-N 3.45Å; T24-M28 VanDerWaalsContact O-CG 3.32Å; T24-M28 WeakPolarHBondContact O-CG 3.18Å; T24-M28 PolarHBondContact O-N 2.82Å |
| 25 | V | 98.4 | Very high | 97 | Very high | 39 Ų | 39 | 57 Ų | 57 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F21 G22 C23 H27 M28 L29 M223 | F21-V25 HydrophobicContact CD1-CG2 4.34Å; F21-V25 HydrophobicContact CE1-CG2 3.92Å; F21-V25 HydrophobicContact CE2-CG2 4.23Å; F21-V25 HydrophobicContact CZ-CG2 3.85Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 3Å; G22-V25 PolarHBondContact O-N 2.94Å; C23-V25 VanDerWaalsContact C-N 3.31Å; C23-V25 PolarHBondContact O-N 3.35Å; V25-H27 VanDerWaalsContact C-N 3.35Å; V25-H27 PolarHBondContact O-N 3.5Å; V25-M28 PolarHBondContact O-N 2.73Å; V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.3Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.41Å; V25-L29 PolarHBondContact O-N 3.32Å; V25-M223 HydrophobicContact CB-CE 4.38Å; V25-M223 HydrophobicContact CG1-CE 3.86Å |
| 26 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G22 C23 M28 L29 G30 Y220 M223 V224 L227 | G22-A26 WeakPolarHBondContact O-CB 3.37Å; G22-A26 PolarHBondContact O-N 2.88Å; C23-A26 WeakPolarHBondContact O-CB 3.29Å; C23-A26 PolarHBondContact O-N 2.93Å; A26-M28 PolarHBondContact O-N 3.41Å; A26-L29 PolarHBondContact O-N 2.94Å; A26-G30 PolarHBondContact O-N 3.36Å; A26-Y220 HydrophobicContact CB-CD2 4.44Å; A26-Y220 HydrophobicContact CB-CE2 4.44Å; A26-Y220 WeakPolarHBondContact O-CD2 3.29Å; A26-M223 HydrophobicContact CB-CB 4.28Å; A26-M223 HydrophobicContact CB-CG 3.78Å; A26-V224 HydrophobicContact CB-CG2 4.39Å; A26-L227 HydrophobicContact CB-CD1 4.22Å |
| 27 | H | 98.3 | Very high | 97.8 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.6 | -69.3 | 141.1 | 0 | 0 | 0 | 112 | C23 T24 V25 G30 I31 E75 | C23-H27 PolarHBondContact O-N 2.78Å; C23-H27 PolarHBondContact O-ND1 3.03Å; T24-H27 PolarHBondContact O-N 3.45Å; V25-H27 VanDerWaalsContact C-N 3.35Å; V25-H27 PolarHBondContact O-N 3.5Å; H27-G30 PolarHBondContact O-N 2.77Å; H27-I31 VanDerWaalsContact O-CB 3.28Å; H27-I31 WeakPolarHBondContact O-CB 3.41Å; H27-I31 WeakPolarHBondContact O-CD1 3.45Å; H27-I31 WeakPolarHBondContact O-CG1 3.36Å; H27-I31 PolarHBondContact O-N 3.5Å; H27-E75 IonicContact CD2-OE1 3.76Å; H27-E75 PolarHBondContact CD2-OE1 3.4Å; H27-E75 IonicContact CD2-OE2 2.97Å; H27-E75 IonicContact NE2-OE1 2.99Å; H27-E75 PolarHBondContact NE2-OE1 2.84Å; H27-E75 VanDerWaalsContact NE2-OE1 3.15Å; H27-E75 IonicContact NE2-OE2 2.74Å; H27-E75 PolarHBondContact NE2-OE2 2.68Å |
| 28 | M | 98.5 | Very high | 98 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 53% | 0.527 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.9 | -67.2 | -57.3 | 98.2 | 0 | 0 | 111.3 | T24 V25 A26 G30 I31 T32 | T24-M28 VanDerWaalsContact O-CG 3.32Å; T24-M28 WeakPolarHBondContact O-CG 3.18Å; T24-M28 PolarHBondContact O-N 2.82Å; V25-M28 PolarHBondContact O-N 2.73Å; A26-M28 PolarHBondContact O-N 3.41Å; M28-G30 PolarHBondContact O-N 3.47Å; M28-I31 HydrophobicContact CE-CD1 4.39Å; M28-T32 WeakPolarHBondContact O-CB 3.34Å; M28-T32 PolarHBondContact O-N 3.02Å; M28-T32 PolarHBondContact O-OG1 3.43Å |
| 29 | L | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 178.6 | -68.8 | 168.7 | 0 | 0 | 0 | 112.1 | V25 A26 A33 L216 L219 Y220 | V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.3Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.41Å; V25-L29 PolarHBondContact O-N 3.32Å; A26-L29 PolarHBondContact O-N 2.94Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.36Å; L29-L216 HydrophobicContact CD2-CD2 3.56Å; L29-L219 HydrophobicContact CD1-CB 3.97Å; L29-L219 HydrophobicContact CD2-CB 4.17Å; L29-L219 HydrophobicContact CD2-CD1 4.42Å; L29-Y220 HydrophobicContact CB-CD2 4.47Å |
| 30 | G | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A26 H27 M28 A33 V34 | A26-G30 PolarHBondContact O-N 3.36Å; H27-G30 PolarHBondContact O-N 2.77Å; M28-G30 PolarHBondContact O-N 3.47Å; G30-A33 PolarHBondContact O-N 3.41Å; G30-V34 PolarHBondContact O-N 2.88Å |
| 31 | I | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 43% | 0.426 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.9 | -68.8 | 167.8 | 0 | 0 | 0 | 110.2 | H27 M28 A33 V34 I35 | H27-I31 VanDerWaalsContact O-CB 3.28Å; H27-I31 WeakPolarHBondContact O-CB 3.41Å; H27-I31 WeakPolarHBondContact O-CD1 3.45Å; H27-I31 WeakPolarHBondContact O-CG1 3.36Å; H27-I31 PolarHBondContact O-N 3.5Å; M28-I31 HydrophobicContact CE-CD1 4.39Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 3.22Å; I31-V34 PolarHBondContact O-N 2.78Å; I31-I35 HydrophobicContact CG2-CD1 3.87Å; I31-I35 HydrophobicContact CG2-CG1 4.49Å; I31-I35 WeakPolarHBondContact O-CG1 3.43Å; I31-I35 PolarHBondContact O-N 3.15Å |
| 32 | T | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 36 Ų | 36 | 37% | 0.368 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -41.4 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | M28 V34 I35 L36 L216 | M28-T32 WeakPolarHBondContact O-CB 3.34Å; M28-T32 PolarHBondContact O-N 3.02Å; M28-T32 PolarHBondContact O-OG1 3.43Å; T32-V34 VanDerWaalsContact C-N 3.34Å; T32-V34 PolarHBondContact O-N 2.96Å; T32-I35 PolarHBondContact O-N 2.9Å; T32-L36 HydrophobicContact CG2-CG 4.3Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 2.86Å; T32-L216 HydrophobicContact CG2-CD1 3.57Å |
| 33 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 G30 I31 L36 V37 L216 L217 | L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.36Å; G30-A33 PolarHBondContact O-N 3.41Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 PolarHBondContact O-N 3.22Å; A33-L36 PolarHBondContact O-N 3.14Å; A33-V37 PolarHBondContact O-N 3.48Å; A33-L216 HydrophobicContact CB-CB 4.04Å; A33-L217 HydrophobicContact CB-CD2 3.74Å; A33-L217 HydrophobicContact CB-CG 4.14Å |
| 34 | V | 98.5 | Very high | 98.2 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | G30 I31 T32 V37 S38 I66 I67 L71 | G30-V34 PolarHBondContact O-N 2.88Å; I31-V34 PolarHBondContact O-N 2.78Å; T32-V34 VanDerWaalsContact C-N 3.34Å; T32-V34 PolarHBondContact O-N 2.96Å; V34-V37 WeakPolarHBondContact O-CG1 3.1Å; V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.4Å; V34-S38 PolarHBondContact O-N 2.82Å; V34-S38 PolarHBondContact O-OG 3.3Å; V34-I66 HydrophobicContact CG2-CG2 4.09Å; V34-I67 HydrophobicContact CG1-CD1 4.23Å; V34-I67 HydrophobicContact CG1-CG1 3.91Å; V34-I67 HydrophobicContact CG2-CG1 4Å; V34-L71 HydrophobicContact CG2-CB 4.38Å; V34-L71 HydrophobicContact CG2-CD2 3.83Å |
| 35 | I | 98.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.2 | -68.7 | 167.3 | 0 | 0 | 0 | 109.8 | I31 T32 S38 V39 | I31-I35 HydrophobicContact CG2-CD1 3.87Å; I31-I35 HydrophobicContact CG2-CG1 4.49Å; I31-I35 WeakPolarHBondContact O-CG1 3.43Å; I31-I35 PolarHBondContact O-N 3.15Å; T32-I35 PolarHBondContact O-N 2.9Å; I35-S38 PolarHBondContact O-N 2.82Å; I35-V39 HydrophobicContact CG2-CG2 4.31Å; I35-V39 WeakPolarHBondContact O-CB 3.09Å; I35-V39 WeakPolarHBondContact O-CG2 3.38Å; I35-V39 PolarHBondContact O-N 2.8Å |
| 36 | L | 98.5 | Very high | 97.8 | Very high | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | -179 | -68.5 | -166.8 | 0 | 0 | 0 | 112.2 | T32 A33 S38 V39 W40 I209 F212 T213 L216 | T32-L36 HydrophobicContact CG2-CG 4.3Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 2.86Å; A33-L36 PolarHBondContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 2.84Å; L36-V39 PolarHBondContact O-N 3.16Å; L36-W40 WeakPolarHBondContact O-CB 3.39Å; L36-W40 PolarHBondContact O-N 2.74Å; L36-I209 HydrophobicContact CB-CD1 4.39Å; L36-I209 HydrophobicContact CB-CG1 4.03Å; L36-I209 HydrophobicContact CD2-CD1 4.19Å; L36-I209 HydrophobicContact CD2-CG1 4.15Å; L36-I209 HydrophobicContact CG-CG1 4.47Å; L36-I209 WeakPolarHBondContact O-CD1 3.49Å; L36-F212 HydrophobicContact CD1-CB 3.85Å; L36-T213 VanDerWaalsContact CB-OG1 3.31Å; L36-T213 WeakPolarHBondContact CB-OG1 3.38Å; L36-L216 HydrophobicContact CD1-CD1 3.6Å; L36-L216 HydrophobicContact CG-CD1 4.36Å |
| 37 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 177.9 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | A33 V34 W40 M41 P62 I66 T213 | A33-V37 PolarHBondContact O-N 3.48Å; V34-V37 WeakPolarHBondContact O-CG1 3.1Å; V37-W40 HydrophobicContact CG2-CE3 4.4Å; V37-W40 PolarHBondContact O-N 2.97Å; V37-M41 HydrophobicContact CG2-CG 4.17Å; V37-M41 VanDerWaalsContact O-CB 3.31Å; V37-M41 WeakPolarHBondContact O-CB 3.36Å; V37-M41 VanDerWaalsContact O-CG 3.31Å; V37-M41 WeakPolarHBondContact O-CG 3.09Å; V37-M41 PolarHBondContact O-N 2.88Å; V37-P62 HydrophobicContact CG2-CB 4.28Å; V37-I66 HydrophobicContact CB-CD1 3.78Å; V37-I66 HydrophobicContact CG1-CB 4.31Å; V37-I66 HydrophobicContact CG1-CD1 3.97Å; V37-I66 HydrophobicContact CG1-CG2 4.21Å; V37-I66 HydrophobicContact CG2-CD1 3.53Å; V37-T213 HydrophobicContact CB-CG2 4.02Å |
| 38 | S | 98.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | V34 I35 L36 G42 | V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.4Å; V34-S38 PolarHBondContact O-N 2.82Å; V34-S38 PolarHBondContact O-OG 3.3Å; I35-S38 PolarHBondContact O-N 2.82Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 2.84Å; S38-G42 WeakPolarHBondContact O-CA 3.26Å; S38-G42 PolarHBondContact O-N 3.36Å |
| 39 | V | 98.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 38% | 0.382 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I35 L36 M41 G42 S43 I209 | I35-V39 HydrophobicContact CG2-CG2 4.31Å; I35-V39 WeakPolarHBondContact O-CB 3.09Å; I35-V39 WeakPolarHBondContact O-CG2 3.38Å; I35-V39 PolarHBondContact O-N 2.8Å; L36-V39 PolarHBondContact O-N 3.16Å; V39-M41 PolarHBondContact O-N 2.6Å; V39-G42 PolarHBondContact O-N 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.38Å; V39-S43 PolarHBondContact O-N 3.42Å; V39-S43 PolarHBondContact O-OG 2.93Å; V39-I209 HydrophobicContact CB-CD1 4.13Å; V39-I209 HydrophobicContact CG1-CD1 3.91Å |
| 40 | W | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -52.7 | 178.7 | 179.6 | 19.5 | 0 | 0 | 0 | 111.3 | L36 V37 G42 Y44 I189 Y192 E206 I209 A210 | L36-W40 WeakPolarHBondContact O-CB 3.39Å; L36-W40 PolarHBondContact O-N 2.74Å; V37-W40 HydrophobicContact CG2-CE3 4.4Å; V37-W40 PolarHBondContact O-N 2.97Å; W40-G42 VanDerWaalsContact C-N 3.34Å; W40-G42 PolarHBondContact O-N 3.43Å; W40-Y44 AromaticContact CD1-CD2 3.99Å; W40-Y44 WeakPolarHBondContact O-CB 3.42Å; W40-Y44 PolarHBondContact O-N 2.9Å; W40-I189 HydrophobicContact CH2-CG2 4.02Å; W40-I189 HydrophobicContact CZ3-CG1 4.24Å; W40-I189 HydrophobicContact CZ3-CG2 4.07Å; W40-Y192 AromaticContact CH2-CD1 3.85Å; W40-Y192 HydrophobicContact CH2-CD1 3.85Å; W40-Y192 HydrophobicContact CH2-CG 4.48Å; W40-Y192 AromaticContact CZ2-CD1 3.32Å; W40-Y192 HydrophobicContact CZ2-CD1 3.32Å; W40-Y192 AromaticContact CZ2-CE1 3.65Å; W40-Y192 HydrophobicContact CZ2-CE1 3.65Å; W40-Y192 HydrophobicContact CZ2-CG 4.33Å; W40-E206 PolarHBondContact NE1-OE1 3.47Å; W40-I209 HydrophobicContact CB-CD1 3.96Å; W40-I209 HydrophobicContact CB-CG1 4.13Å; W40-I209 HydrophobicContact CB-CG2 3.87Å; W40-I209 HydrophobicContact CD2-CG2 4.31Å; W40-I209 HydrophobicContact CG-CG2 3.71Å; W40-A210 HydrophobicContact CD2-CB 4.4Å; W40-A210 HydrophobicContact CE3-CB 4.34Å; W40-A210 HydrophobicContact CH2-CB 3.42Å; W40-A210 VanDerWaalsContact CH2-CB 3.42Å; W40-A210 HydrophobicContact CZ2-CB 3.45Å; W40-A210 VanDerWaalsContact CZ2-CB 3.45Å; W40-A210 HydrophobicContact CZ3-CB 3.89Å |
| 41 | M | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -25.6 | -177.6 | -68.6 | -60.5 | 104.6 | 0 | 0 | 113.7 | V37 V39 F48 R59 P62 Y192 | V37-M41 HydrophobicContact CG2-CG 4.17Å; V37-M41 VanDerWaalsContact O-CB 3.31Å; V37-M41 WeakPolarHBondContact O-CB 3.36Å; V37-M41 VanDerWaalsContact O-CG 3.31Å; V37-M41 WeakPolarHBondContact O-CG 3.09Å; V37-M41 PolarHBondContact O-N 2.88Å; V39-M41 PolarHBondContact O-N 2.6Å; M41-F48 HydrophobicContact CB-CE1 3.91Å; M41-F48 HydrophobicContact CB-CE2 4.18Å; M41-F48 HydrophobicContact CB-CZ 3.5Å; M41-R59 HydrophobicContact CB-CB 4.08Å; M41-R59 WeakPolarHBondContact O-CD 3.26Å; M41-R59 WeakPolarHBondContact O-CG 3.41Å; M41-R59 HydrophobicContact SD-CB 4.44Å; M41-R59 WeakPolarHBondContact SD-CD 3.3Å; M41-P62 HydrophobicContact CG-CG 3.78Å; M41-P62 HydrophobicContact SD-CG 3.48Å; M41-P62 WeakPolarHBondContact SD-CG 3.48Å; M41-Y192 HydrophobicContact CE-CE1 4.18Å |
| 42 | G | 98 | Very high | 97.1 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -91.3 | -28.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S38 V39 W40 F48 | S38-G42 WeakPolarHBondContact O-CA 3.26Å; S38-G42 PolarHBondContact O-N 3.36Å; V39-G42 PolarHBondContact O-N 3.29Å; W40-G42 VanDerWaalsContact C-N 3.34Å; W40-G42 PolarHBondContact O-N 3.43Å; G42-F48 VanDerWaalsContact CA-CE2 3.4Å |
| 43 | S | 96.9 | Very high | 97.1 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -108.7 | -15.1 | -171.8 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | V39 | V39-S43 WeakPolarHBondContact O-CB 3.38Å; V39-S43 PolarHBondContact O-N 3.42Å; V39-S43 PolarHBondContact O-OG 2.93Å |
| 44 | Y | 94.9 | Very high | 97 | Very high | 66 Ų | 66 | 52 Ų | 52 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -106.9 | 127.4 | 177.6 | -66 | -93.7 | 0 | 0 | 0 | 110.9 | W40 R59 S205 E206 I209 | W40-Y44 AromaticContact CD1-CD2 3.99Å; W40-Y44 WeakPolarHBondContact O-CB 3.42Å; W40-Y44 PolarHBondContact O-N 2.9Å; Y44-R59 PolarHBondContact O-NH1 2.73Å; Y44-R59 PolarHBondContact O-NH2 3.26Å; Y44-S205 WeakPolarHBondContact OH-CB 3.49Å; Y44-E206 HydrophobicContact CD1-CB 3.47Å; Y44-E206 VanDerWaalsContact CD1-CB 3.47Å; Y44-E206 HydrophobicContact CD1-CG 3.62Å; Y44-E206 HydrophobicContact CD2-CG 4.35Å; Y44-E206 HydrophobicContact CE1-CB 3.54Å; Y44-E206 HydrophobicContact CE1-CG 4.13Å; Y44-E206 HydrophobicContact CG-CB 4.09Å; Y44-E206 HydrophobicContact CG-CG 3.74Å; Y44-I209 HydrophobicContact CE2-CG2 4.09Å |
| 45 | G | 92.2 | Very high | 97 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -141.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G47 | G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 3.31Å |
| 46 | V | 95.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.7 | -175.2 | -63.6 | 0 | 0 | 0 | 0 | 114.7 | A55 | V46-A55 HydrophobicContact CG2-CB 3.8Š|
| 47 | G | 96.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | trans | 67.8 | -164.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G45 G56 R59 | G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 3.31Å; G47-G56 VanDerWaalsContact O-CA 3.24Å; G47-G56 WeakPolarHBondContact O-CA 3.44Å; G47-R59 WeakPolarHBondContact O-CG 3.28Å | ||
| 48 | F | 98.2 | Very high | 96.9 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | -81.4 | 118 | -176.3 | -66.7 | -81.2 | 0 | 0 | 0 | 112.2 | M41 G42 R59 Y60 M63 | M41-F48 HydrophobicContact CB-CE1 3.91Å; M41-F48 HydrophobicContact CB-CE2 4.18Å; M41-F48 HydrophobicContact CB-CZ 3.5Å; G42-F48 VanDerWaalsContact CA-CE2 3.4Å; F48-R59 HydrophobicContact CD1-CB 3.54Å; F48-R59 HydrophobicContact CE1-CB 3.77Å; F48-R59 WeakPolarHBondContact CE1-O 3.41Å; F48-R59 HydrophobicContact CG-CB 4.21Å; F48-Y60 HydrophobicContact CB-CE1 4.42Å; F48-Y60 HydrophobicContact CB-CE2 3.85Å; F48-Y60 HydrophobicContact CD1-CD1 4.04Å; F48-Y60 AromaticContact CD1-CD2 4Å; F48-Y60 HydrophobicContact CD1-CD2 4Å; F48-Y60 HydrophobicContact CD1-CE1 4.05Å; F48-Y60 HydrophobicContact CD1-CE2 4.01Å; F48-Y60 HydrophobicContact CD1-CG 4.02Å; F48-Y60 HydrophobicContact CG-CE2 4.44Å; F48-M63 HydrophobicContact CE1-CB 4.19Å; F48-M63 HydrophobicContact CE1-CE 4.06Å; F48-M63 HydrophobicContact CE1-SD 3.66Å; F48-M63 HydrophobicContact CE2-SD 4.38Å; F48-M63 HydrophobicContact CZ-CB 4.32Å; F48-M63 HydrophobicContact CZ-CE 4.44Å; F48-M63 HydrophobicContact CZ-CG 4.35Å; F48-M63 HydrophobicContact CZ-SD 3.46Å; F48-M63 WeakPolarHBondContact CZ-SD 3.14Å | ||
| 49 | E | 97.5 | Very high | 96.9 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | trans | -137.2 | 101.1 | 175.8 | -54 | 178.5 | 151.1 | 0 | 0 | 110.9 | S53 G56 M57 | E49-S53 VanDerWaalsContact OE2-CB 3.29Å; E49-S53 WeakPolarHBondContact OE2-CB 3.09Å; E49-S53 PolarHBondContact OE2-N 3.3Å; E49-S53 PolarHBondContact OE2-OG 3.47Å; E49-G56 PolarHBondContact N-O 3.17Å; E49-G56 CarbonylContact O-C 3.29Å; E49-G56 VanDerWaalsContact O-C 3.29Å; E49-M57 WeakPolarHBondContact O-CA 3.45Å; E49-M57 VanDerWaalsContact O-CG 3.32Å; E49-M57 WeakPolarHBondContact O-CG 3.42Å; E49-M57 PolarHBondContact O-N 3.34Å; E49-M57 VanDerWaalsContact O-N 3.08Å | ||
| 50 | W | 97 | Very high | 96.9 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -35.5 | -176.4 | -174.1 | -99.9 | 0 | 0 | 0 | 113.6 | M57 Y60 L108 K111 A112 | W50-M57 WeakPolarHBondContact O-CG 3.42Å; W50-Y60 HydrophobicContact CB-CE2 4.09Å; W50-Y60 HydrophobicContact CE3-CD1 4.26Å; W50-Y60 AromaticContact CE3-CD2 3.87Å; W50-Y60 HydrophobicContact CE3-CD2 3.87Å; W50-Y60 HydrophobicContact CE3-CE1 4.45Å; W50-Y60 HydrophobicContact CE3-CE2 4.07Å; W50-Y60 AromaticContact CE3-CG 3.96Å; W50-Y60 HydrophobicContact CE3-CG 3.96Å; W50-Y60 HydrophobicContact CZ3-CD2 4.46Å; W50-Y60 HydrophobicContact CZ3-CG 4.19Å; W50-L108 HydrophobicContact CH2-CD2 4.39Å; W50-K111 HydrophobicContact CH2-CB 4.48Å; W50-K111 HydrophobicContact CH2-CD 4.22Å; W50-K111 HydrophobicContact CH2-CG 4.39Å; W50-K111 HydrophobicContact CZ2-CD 3.81Å; W50-K111 HydrophobicContact CZ2-CG 4.32Å; W50-A112 HydrophobicContact CH2-CB 4.3Å; W50-A112 HydrophobicContact CZ3-CB 3.8Å |
| 51 | E | 93.8 | Very high | 96.9 | Very high | 180 Ų | 180 | 49.2 Ų | 49.2 | 84% | 0.841 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 21.4 | 178.4 | -56 | -171.6 | 161.5 | 0 | 0 | 111.8 | ||
| 52 | G | 94 | Very high | 97 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -104.7 | -132.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M57 | G52-M57 WeakPolarHBondContact O-CE 3.33Š|
| 53 | S | 97.1 | Very high | 97 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | trans | -66.2 | 149.2 | 178.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | E49 A55 G56 M57 | E49-S53 VanDerWaalsContact OE2-CB 3.29Å; E49-S53 WeakPolarHBondContact OE2-CB 3.09Å; E49-S53 PolarHBondContact OE2-N 3.3Å; E49-S53 PolarHBondContact OE2-OG 3.47Å; S53-A55 PolarHBondContact O-N 3.35Å; S53-G56 WeakPolarHBondContact O-CA 3.43Å; S53-G56 PolarHBondContact O-N 2.97Å; S53-G56 PolarHBondContact OG-N 2.73Å; S53-G56 VanDerWaalsContact OG-N 3.09Å; S53-M57 PolarHBondContact O-N 3.03Å | ||
| 54 | P | 97.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.5 | -35.8 | 173.1 | -24.3 | 32.5 | 0 | 0 | 0 | 112.5 | G56 M57 F58 S116 V120 | P54-G56 VanDerWaalsContact C-N 3.33Å; P54-G56 PolarHBondContact O-N 2.94Å; P54-M57 PolarHBondContact O-N 2.98Å; P54-F58 PolarHBondContact O-N 2.79Å; P54-F58 VanDerWaalsContact O-N 3.08Å; P54-S116 WeakPolarHBondContact CB-O 3.3Å; P54-S116 WeakPolarHBondContact O-CB 3.19Å; P54-V120 HydrophobicContact CB-CG2 3.63Å; P54-V120 HydrophobicContact CG-CG2 3.94Å |
| 55 | A | 97.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V46 S53 R59 | V46-A55 HydrophobicContact CG2-CB 3.8Å; S53-A55 PolarHBondContact O-N 3.35Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å |
| 56 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.6 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G47 E49 S53 P54 R59 | G47-G56 VanDerWaalsContact O-CA 3.24Å; G47-G56 WeakPolarHBondContact O-CA 3.44Å; E49-G56 PolarHBondContact N-O 3.17Å; E49-G56 CarbonylContact O-C 3.29Å; E49-G56 VanDerWaalsContact O-C 3.29Å; S53-G56 WeakPolarHBondContact O-CA 3.43Å; S53-G56 PolarHBondContact O-N 2.97Å; S53-G56 PolarHBondContact OG-N 2.73Å; S53-G56 VanDerWaalsContact OG-N 3.09Å; P54-G56 VanDerWaalsContact C-N 3.33Å; P54-G56 PolarHBondContact O-N 2.94Å; G56-R59 WeakPolarHBondContact O-CB 3.09Å; G56-R59 PolarHBondContact O-N 2.72Å |
| 57 | M | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 172.1 | -64.7 | 173.7 | -178 | 0 | 0 | 110.9 | E49 W50 G52 S53 P54 R59 Y60 Y119 | E49-M57 WeakPolarHBondContact O-CA 3.45Å; E49-M57 VanDerWaalsContact O-CG 3.32Å; E49-M57 WeakPolarHBondContact O-CG 3.42Å; E49-M57 PolarHBondContact O-N 3.34Å; E49-M57 VanDerWaalsContact O-N 3.08Å; W50-M57 WeakPolarHBondContact O-CG 3.42Å; G52-M57 WeakPolarHBondContact O-CE 3.33Å; S53-M57 PolarHBondContact O-N 3.03Å; P54-M57 PolarHBondContact O-N 2.98Å; M57-R59 PolarHBondContact O-N 3.11Å; M57-R59 VanDerWaalsContact O-N 3.15Å; M57-Y60 PolarHBondContact O-N 2.93Å; M57-Y119 HydrophobicContact CE-CD2 3.88Å; M57-Y119 HydrophobicContact CE-CE2 4.24Å; M57-Y119 HydrophobicContact SD-CD2 3.73Å; M57-Y119 HydrophobicContact SD-CE2 4.36Å |
| 58 | F | 98.3 | Very high | 97.8 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -32.7 | -179.5 | -177.6 | -88.6 | 0 | 0 | 0 | 112.5 | P54 Y60 H61 P62 V113 Y192 | P54-F58 PolarHBondContact O-N 2.79Å; P54-F58 VanDerWaalsContact O-N 3.08Å; F58-Y60 PolarHBondContact O-N 2.72Å; F58-Y60 VanDerWaalsContact O-N 3.11Å; F58-H61 VanDerWaalsContact O-CB 3.28Å; F58-H61 WeakPolarHBondContact O-CB 3.16Å; F58-H61 PolarHBondContact O-N 2.65Å; F58-P62 HydrophobicContact CE1-CG 4.3Å; F58-P62 WeakPolarHBondContact O-CD 3.41Å; F58-V113 HydrophobicContact CD2-CG2 3.95Å; F58-V113 HydrophobicContact CE2-CG2 3.89Å; F58-Y192 HydrophobicContact CD1-CD2 4.02Å; F58-Y192 AromaticContact CD1-CE2 3.8Å; F58-Y192 HydrophobicContact CD1-CE2 3.8Å; F58-Y192 AromaticContact CE1-CD2 3.27Å; F58-Y192 HydrophobicContact CE1-CD2 3.27Å; F58-Y192 AromaticContact CE1-CE2 3.54Å; F58-Y192 HydrophobicContact CE1-CE2 3.54Å; F58-Y192 HydrophobicContact CE1-CG 4.39Å; F58-Y192 AromaticContact CZ-CD2 3.91Å; F58-Y192 HydrophobicContact CZ-CD2 3.91Å |
| 59 | R | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32.8 | -177.7 | -62.6 | -51.6 | -179.8 | 158.7 | -3.6 | 113.9 | M41 Y44 G47 F48 A55 G56 M57 H61 P62 Y192 | M41-R59 HydrophobicContact CB-CB 4.08Å; M41-R59 WeakPolarHBondContact O-CD 3.26Å; M41-R59 WeakPolarHBondContact O-CG 3.41Å; M41-R59 HydrophobicContact SD-CB 4.44Å; M41-R59 WeakPolarHBondContact SD-CD 3.3Å; Y44-R59 PolarHBondContact O-NH1 2.73Å; Y44-R59 PolarHBondContact O-NH2 3.26Å; G47-R59 WeakPolarHBondContact O-CG 3.28Å; F48-R59 HydrophobicContact CD1-CB 3.54Å; F48-R59 HydrophobicContact CE1-CB 3.77Å; F48-R59 WeakPolarHBondContact CE1-O 3.41Å; F48-R59 HydrophobicContact CG-CB 4.21Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; G56-R59 WeakPolarHBondContact O-CB 3.09Å; G56-R59 PolarHBondContact O-N 2.72Å; M57-R59 PolarHBondContact O-N 3.11Å; M57-R59 VanDerWaalsContact O-N 3.15Å; R59-H61 VanDerWaalsContact C-N 3.29Å; R59-H61 PolarHBondContact O-N 3.18Å; R59-P62 WeakPolarHBondContact O-CD 3.47Å; R59-Y192 PolarHBondContact NH1-OH 3.48Å; R59-Y192 PolarHBondContact NH2-OH 3.04Å |
| 60 | Y | 98.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -30 | 177.1 | -69.7 | -89.1 | 0 | 0 | 0 | 112.9 | F48 W50 M57 F58 M63 L64 | F48-Y60 HydrophobicContact CB-CE1 4.42Å; F48-Y60 HydrophobicContact CB-CE2 3.85Å; F48-Y60 HydrophobicContact CD1-CD1 4.04Å; F48-Y60 AromaticContact CD1-CD2 4Å; F48-Y60 HydrophobicContact CD1-CD2 4Å; F48-Y60 HydrophobicContact CD1-CE1 4.05Å; F48-Y60 HydrophobicContact CD1-CE2 4.01Å; F48-Y60 HydrophobicContact CD1-CG 4.02Å; F48-Y60 HydrophobicContact CG-CE2 4.44Å; W50-Y60 HydrophobicContact CB-CE2 4.09Å; W50-Y60 HydrophobicContact CE3-CD1 4.26Å; W50-Y60 AromaticContact CE3-CD2 3.87Å; W50-Y60 HydrophobicContact CE3-CD2 3.87Å; W50-Y60 HydrophobicContact CE3-CE1 4.45Å; W50-Y60 HydrophobicContact CE3-CE2 4.07Å; W50-Y60 AromaticContact CE3-CG 3.96Å; W50-Y60 HydrophobicContact CE3-CG 3.96Å; W50-Y60 HydrophobicContact CZ3-CD2 4.46Å; W50-Y60 HydrophobicContact CZ3-CG 4.19Å; M57-Y60 PolarHBondContact O-N 2.93Å; F58-Y60 PolarHBondContact O-N 2.72Å; F58-Y60 VanDerWaalsContact O-N 3.11Å; Y60-M63 HydrophobicContact CD1-CE 4.16Å; Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.12Å; Y60-L64 VanDerWaalsContact O-CG 3.26Å; Y60-L64 WeakPolarHBondContact O-CG 3.25Å; Y60-L64 PolarHBondContact O-N 3.41Å |
| 61 | H | 98.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 32.7 Ų | 32.7 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -62.5 | -175.7 | 175.8 | 75.8 | 0 | 0 | 0 | 113.2 | F58 R59 M63 L64 M65 A109 V113 H131 | F58-H61 VanDerWaalsContact O-CB 3.28Å; F58-H61 WeakPolarHBondContact O-CB 3.16Å; F58-H61 PolarHBondContact O-N 2.65Å; R59-H61 VanDerWaalsContact C-N 3.29Å; R59-H61 PolarHBondContact O-N 3.18Å; H61-M63 VanDerWaalsContact C-N 3.32Å; H61-M63 PolarHBondContact O-N 3.26Å; H61-L64 PolarHBondContact O-N 2.95Å; H61-M65 VanDerWaalsContact CE1-CE 3.48Å; H61-M65 WeakPolarHBondContact CE1-CE 3Å; H61-M65 WeakPolarHBondContact O-CB 3.35Å; H61-M65 VanDerWaalsContact O-CG 3.27Å; H61-M65 WeakPolarHBondContact O-CG 3.29Å; H61-M65 PolarHBondContact O-N 3.19Å; H61-A109 PolarHBondContact ND1-O 3.41Å; H61-V113 HydrophobicContact CB-CB 4.01Å; H61-H131 AromaticContact NE2-NE2 3.89Å |
| 62 | P | 98.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | -178.8 | 25.1 | -33.3 | 0 | 0 | 0 | 112.2 | V37 M41 F58 R59 I66 | V37-P62 HydrophobicContact CG2-CB 4.28Å; M41-P62 HydrophobicContact CG-CG 3.78Å; M41-P62 HydrophobicContact SD-CG 3.48Å; M41-P62 WeakPolarHBondContact SD-CG 3.48Å; F58-P62 HydrophobicContact CE1-CG 4.3Å; F58-P62 WeakPolarHBondContact O-CD 3.41Å; R59-P62 WeakPolarHBondContact O-CD 3.47Å; P62-I66 WeakPolarHBondContact O-CB 3.28Å; P62-I66 WeakPolarHBondContact O-CG1 3.29Å; P62-I66 PolarHBondContact O-N 2.82Å |
| 63 | M | 98.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -53.4 | 177.6 | -176.8 | -166.6 | 70.5 | 0 | 0 | 111.3 | F48 Y60 H61 I66 I67 | F48-M63 HydrophobicContact CE1-CB 4.19Å; F48-M63 HydrophobicContact CE1-CE 4.06Å; F48-M63 HydrophobicContact CE1-SD 3.66Å; F48-M63 HydrophobicContact CE2-SD 4.38Å; F48-M63 HydrophobicContact CZ-CB 4.32Å; F48-M63 HydrophobicContact CZ-CE 4.44Å; F48-M63 HydrophobicContact CZ-CG 4.35Å; F48-M63 HydrophobicContact CZ-SD 3.46Å; F48-M63 WeakPolarHBondContact CZ-SD 3.14Å; Y60-M63 HydrophobicContact CD1-CE 4.16Å; H61-M63 VanDerWaalsContact C-N 3.32Å; H61-M63 PolarHBondContact O-N 3.26Å; M63-I66 PolarHBondContact O-N 3.49Å; M63-I67 HydrophobicContact CG-CD1 3.93Å; M63-I67 WeakPolarHBondContact O-CG1 3.44Å; M63-I67 PolarHBondContact O-N 3.21Å |
| 64 | L | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 22.4 Ų | 22.4 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.2 | -33.9 | -178.1 | -70.2 | 171.6 | 0 | 0 | 0 | 112.4 | Y60 H61 G68 L108 A109 | Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.12Å; Y60-L64 VanDerWaalsContact O-CG 3.26Å; Y60-L64 WeakPolarHBondContact O-CG 3.25Å; Y60-L64 PolarHBondContact O-N 3.41Å; H61-L64 PolarHBondContact O-N 2.95Å; L64-G68 PolarHBondContact O-N 3.02Å; L64-L108 HydrophobicContact CD1-CB 3.73Å; L64-A109 HydrophobicContact CB-CB 3.69Å; L64-A109 HydrophobicContact CD1-CB 4.41Å |
| 65 | M | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 18% | 0.177 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 173.5 | -75.4 | -58.9 | -165.9 | 0 | 0 | 111.7 | H61 M69 F106 A109 L110 | H61-M65 VanDerWaalsContact CE1-CE 3.48Å; H61-M65 WeakPolarHBondContact CE1-CE 3Å; H61-M65 WeakPolarHBondContact O-CB 3.35Å; H61-M65 VanDerWaalsContact O-CG 3.27Å; H61-M65 WeakPolarHBondContact O-CG 3.29Å; H61-M65 PolarHBondContact O-N 3.19Å; M65-M69 WeakPolarHBondContact O-CA 3.48Å; M65-M69 VanDerWaalsContact O-CB 3.3Å; M65-M69 WeakPolarHBondContact O-CB 3.43Å; M65-M69 PolarHBondContact O-N 3.43Å; M65-M69 HydrophobicContact SD-CG 4.21Å; M65-F106 HydrophobicContact CE-CB 4.11Å; M65-F106 HydrophobicContact SD-CB 3.69Å; M65-A109 HydrophobicContact CE-CB 4.06Å; M65-A109 HydrophobicContact CG-CB 3.84Å; M65-A109 HydrophobicContact SD-CB 4.01Å; M65-L110 HydrophobicContact CE-CD2 3.65Å; M65-L110 HydrophobicContact CE-CG 3.83Å |
| 66 | I | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -68.1 | -44.9 | 177.1 | -73.8 | 165.2 | 0 | 0 | 0 | 111.1 | V34 V37 P62 M63 Q70 L71 T213 L217 | V34-I66 HydrophobicContact CG2-CG2 4.09Å; V37-I66 HydrophobicContact CB-CD1 3.78Å; V37-I66 HydrophobicContact CG1-CB 4.31Å; V37-I66 HydrophobicContact CG1-CD1 3.97Å; V37-I66 HydrophobicContact CG1-CG2 4.21Å; V37-I66 HydrophobicContact CG2-CD1 3.53Å; P62-I66 WeakPolarHBondContact O-CB 3.28Å; P62-I66 WeakPolarHBondContact O-CG1 3.29Å; P62-I66 PolarHBondContact O-N 2.82Å; M63-I66 PolarHBondContact O-N 3.49Å; I66-Q70 WeakPolarHBondContact O-CA 3.43Å; I66-Q70 VanDerWaalsContact O-CB 3.24Å; I66-Q70 WeakPolarHBondContact O-CB 3.34Å; I66-Q70 PolarHBondContact O-N 3.14Å; I66-Q70 VanDerWaalsContact O-N 3.17Å; I66-L71 PolarHBondContact O-N 3.32Å; I66-T213 HydrophobicContact CD1-CG2 4.09Å; I66-L217 HydrophobicContact CD1-CD1 3.73Å; I66-L217 HydrophobicContact CG1-CD1 3.81Å; I66-L217 HydrophobicContact CG1-CD2 4.45Å; I66-L217 HydrophobicContact CG2-CD2 3.86Å |
| 67 | I | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 21.6 Ų | 21.6 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -60.4 | -51.7 | 177.4 | -69.6 | 168.3 | 0 | 0 | 0 | 110.5 | V34 M63 L71 L72 | V34-I67 HydrophobicContact CG1-CD1 4.23Å; V34-I67 HydrophobicContact CG1-CG1 3.91Å; V34-I67 HydrophobicContact CG2-CG1 4Å; M63-I67 HydrophobicContact CG-CD1 3.93Å; M63-I67 WeakPolarHBondContact O-CG1 3.44Å; M63-I67 PolarHBondContact O-N 3.21Å; I67-L71 PolarHBondContact O-N 3.23Å; I67-L72 HydrophobicContact CG2-CD1 4.14Å; I67-L72 HydrophobicContact CG2-CG 4.4Å; I67-L72 WeakPolarHBondContact O-CB 3.26Å; I67-L72 VanDerWaalsContact O-CG 3.31Å; I67-L72 WeakPolarHBondContact O-CG 3.39Å; I67-L72 PolarHBondContact O-N 2.98Å |
| 68 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -72.1 | -67.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L64 Q70 M73 T102 | L64-G68 PolarHBondContact O-N 3.02Å; G68-Q70 VanDerWaalsContact C-N 3.34Å; G68-Q70 PolarHBondContact O-N 3.41Å; G68-M73 PolarHBondContact O-N 3.07Å; G68-T102 VanDerWaalsContact O-CG2 3.3Å; G68-T102 WeakPolarHBondContact O-CG2 3.33Å; G68-T102 PolarHBondContact O-OG1 3.39Å |
| 69 | M | 98.3 | Very high | 98.5 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -81 | -10.4 | -167.4 | -64.3 | -68.7 | -69.3 | 0 | 0 | 113.7 | M65 M73 T102 F106 I138 F142 S181 | M65-M69 WeakPolarHBondContact O-CA 3.48Å; M65-M69 VanDerWaalsContact O-CB 3.3Å; M65-M69 WeakPolarHBondContact O-CB 3.43Å; M65-M69 PolarHBondContact O-N 3.43Å; M65-M69 HydrophobicContact SD-CG 4.21Å; M69-M73 HydrophobicContact CE-CE 4.39Å; M69-M73 HydrophobicContact CE-SD 4.3Å; M69-M73 WeakPolarHBondContact O-CE 3.47Å; M69-T102 HydrophobicContact CG-CG2 4.38Å; M69-T102 HydrophobicContact SD-CG2 3.62Å; M69-F106 HydrophobicContact CG-CB 4.28Å; M69-F106 HydrophobicContact CG-CD1 4.27Å; M69-F106 HydrophobicContact SD-CD1 3.6Å; M69-F106 HydrophobicContact SD-CE1 4.15Å; M69-I138 HydrophobicContact CE-CG2 3.64Å; M69-F142 HydrophobicContact CE-CB 4.37Å; M69-F142 HydrophobicContact CE-CD2 4.24Å; M69-F142 HydrophobicContact CE-CG 4.49Å; M69-F142 HydrophobicContact SD-CD2 4.2Å; M69-F142 HydrophobicContact SD-CG 4.5Å; M69-S181 WeakPolarHBondContact CB-OG 3.33Å; M69-S181 PolarHBondContact O-OG 3Å |
| 70 | Q | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -107.5 | -67 | 171.6 | -58.8 | -72.4 | -74.8 | 0 | 0 | 110.4 | I66 G68 G74 S181 T182 L217 Y220 | I66-Q70 WeakPolarHBondContact O-CA 3.43Å; I66-Q70 VanDerWaalsContact O-CB 3.24Å; I66-Q70 WeakPolarHBondContact O-CB 3.34Å; I66-Q70 PolarHBondContact O-N 3.14Å; I66-Q70 VanDerWaalsContact O-N 3.17Å; G68-Q70 VanDerWaalsContact C-N 3.34Å; G68-Q70 PolarHBondContact O-N 3.41Å; Q70-G74 PolarHBondContact O-N 3.49Å; Q70-S181 VanDerWaalsContact NE2-C 3.3Å; Q70-S181 VanDerWaalsContact NE2-CB 3.31Å; Q70-S181 PolarHBondContact NE2-OG 2.84Å; Q70-T182 PolarHBondContact NE2-OG1 2.81Å; Q70-T182 PolarHBondContact OE1-OG1 3.5Å; Q70-L217 HydrophobicContact CB-CD2 4.08Å; Q70-L217 HydrophobicContact CG-CD2 4.12Å; Q70-Y220 WeakPolarHBondContact O-CE1 3.43Å; Q70-Y220 PolarHBondContact O-OH 3.06Å |
| 71 | L | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 20 Ų | 20 | 17% | 0.168 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -68.5 | -59.8 | -171.3 | -175.2 | 63.8 | 0 | 0 | 0 | 112.2 | V34 I66 I67 M73 G74 E75 Y220 | V34-L71 HydrophobicContact CG2-CB 4.38Å; V34-L71 HydrophobicContact CG2-CD2 3.83Å; I66-L71 PolarHBondContact O-N 3.32Å; I67-L71 PolarHBondContact O-N 3.23Å; L71-M73 VanDerWaalsContact C-N 3.34Å; L71-M73 PolarHBondContact O-N 2.9Å; L71-G74 PolarHBondContact O-N 2.95Å; L71-G74 VanDerWaalsContact O-N 3.13Å; L71-E75 WeakPolarHBondContact O-CG 3.15Å; L71-E75 PolarHBondContact O-N 2.96Å; L71-Y220 HydrophobicContact CD1-CE2 4.21Å; L71-Y220 PolarHBondContact O-OH 3.29Å |
| 72 | L | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 22 Ų | 22 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -64.8 | -38.3 | -176.1 | -66.5 | 176.9 | 0 | 0 | 0 | 112.3 | I67 E75 A76 L98 I101 T102 | I67-L72 HydrophobicContact CG2-CD1 4.14Å; I67-L72 HydrophobicContact CG2-CG 4.4Å; I67-L72 WeakPolarHBondContact O-CB 3.26Å; I67-L72 VanDerWaalsContact O-CG 3.31Å; I67-L72 WeakPolarHBondContact O-CG 3.39Å; I67-L72 PolarHBondContact O-N 2.98Å; L72-E75 PolarHBondContact O-N 3.45Å; L72-A76 WeakPolarHBondContact O-CB 3.41Å; L72-A76 PolarHBondContact O-N 3.22Å; L72-L98 HydrophobicContact CD2-CD2 3.96Å; L72-I101 HydrophobicContact CD1-CB 4.05Å; L72-I101 HydrophobicContact CD1-CG2 3.45Å; L72-I101 VanDerWaalsContact CD1-CG2 3.45Å; L72-T102 VanDerWaalsContact CB-OG1 3.31Å; L72-T102 WeakPolarHBondContact CB-OG1 3.43Å |
| 73 | M | 98.2 | Very high | 97.8 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 173.1 | -172.8 | 164 | 74.1 | 0 | 0 | 112.3 | G68 M69 L71 A76 A77 T102 F142 L177 L178 | G68-M73 PolarHBondContact O-N 3.07Å; M69-M73 HydrophobicContact CE-CE 4.39Å; M69-M73 HydrophobicContact CE-SD 4.3Å; M69-M73 WeakPolarHBondContact O-CE 3.47Å; L71-M73 VanDerWaalsContact C-N 3.34Å; L71-M73 PolarHBondContact O-N 2.9Å; M73-A76 PolarHBondContact O-N 3.28Å; M73-A77 PolarHBondContact O-N 3.32Å; M73-T102 HydrophobicContact CB-CG2 4.47Å; M73-F142 HydrophobicContact CG-CE2 4.48Å; M73-F142 HydrophobicContact SD-CD2 3.85Å; M73-F142 HydrophobicContact SD-CE2 3.91Å; M73-L177 HydrophobicContact SD-CB 4.47Å; M73-L178 HydrophobicContact CE-CB 4.47Å; M73-L178 HydrophobicContact CE-CD1 4.38Å |
| 74 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q70 L71 A76 A77 L78 Y220 | Q70-G74 PolarHBondContact O-N 3.49Å; L71-G74 PolarHBondContact O-N 2.95Å; L71-G74 VanDerWaalsContact O-N 3.13Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.45Å; G74-A77 WeakPolarHBondContact O-CB 3.5Å; G74-A77 PolarHBondContact O-N 3.23Å; G74-L78 PolarHBondContact O-N 3.33Å; G74-Y220 WeakPolarHBondContact CA-OH 3.47Å |
| 75 | E | 98.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 172.1 | -68.4 | -49.8 | 127.8 | 0 | 0 | 111.5 | H27 L71 L72 A77 L78 T79 M82 L98 | H27-E75 IonicContact CD2-OE1 3.76Å; H27-E75 PolarHBondContact CD2-OE1 3.4Å; H27-E75 IonicContact CD2-OE2 2.97Å; H27-E75 IonicContact NE2-OE1 2.99Å; H27-E75 PolarHBondContact NE2-OE1 2.84Å; H27-E75 VanDerWaalsContact NE2-OE1 3.15Å; H27-E75 IonicContact NE2-OE2 2.74Å; H27-E75 PolarHBondContact NE2-OE2 2.68Å; L71-E75 WeakPolarHBondContact O-CG 3.15Å; L71-E75 PolarHBondContact O-N 2.96Å; L72-E75 PolarHBondContact O-N 3.45Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 3.09Å; E75-L78 CarbonylContact O-C 3.58Å; E75-L78 PolarHBondContact O-N 3.42Å; E75-T79 PolarHBondContact O-N 3.14Å; E75-T79 PolarHBondContact O-OG1 3.09Å; E75-M82 WeakPolarHBondContact OE2-CE 3.4Å; E75-L98 HydrophobicContact CB-CD1 4.07Å |
| 76 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L72 M73 G74 L78 T79 H95 L98 H99 | L72-A76 WeakPolarHBondContact O-CB 3.41Å; L72-A76 PolarHBondContact O-N 3.22Å; M73-A76 PolarHBondContact O-N 3.28Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.45Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 2.99Å; A76-T79 WeakPolarHBondContact CA-OG1 3.39Å; A76-T79 WeakPolarHBondContact O-CB 3.35Å; A76-T79 PolarHBondContact O-N 2.74Å; A76-T79 PolarHBondContact O-OG1 3.27Å; A76-H95 PolarHBondContact O-ND1 3.49Å; A76-L98 HydrophobicContact CB-CB 3.79Å; A76-L98 HydrophobicContact CB-CD1 4.27Å; A76-H99 VanDerWaalsContact CB-CE1 3.43Å; A76-H99 WeakPolarHBondContact CB-CE1 3.33Å; A76-H99 WeakPolarHBondContact CB-NE2 3.37Å |
| 77 | A | 98.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.4 | -35.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M73 G74 E75 V228 | M73-A77 PolarHBondContact O-N 3.32Å; G74-A77 WeakPolarHBondContact O-CB 3.5Å; G74-A77 PolarHBondContact O-N 3.23Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 3.09Å; A77-V228 HydrophobicContact CB-CG1 4.14Å |
| 78 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -81.9 | -14.8 | 177.4 | -75.9 | 171.3 | 0 | 0 | 0 | 114 | G74 E75 A76 Y80 R81 M82 V224 L227 V228 | G74-L78 PolarHBondContact O-N 3.33Å; E75-L78 CarbonylContact O-C 3.58Å; E75-L78 PolarHBondContact O-N 3.42Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 2.99Å; L78-Y80 VanDerWaalsContact C-N 3.33Å; L78-Y80 PolarHBondContact O-N 3.37Å; L78-R81 WeakPolarHBondContact O-CA 3.2Å; L78-R81 WeakPolarHBondContact O-CB 3.4Å; L78-R81 PolarHBondContact O-N 3.46Å; L78-M82 HydrophobicContact CB-CE 3.62Å; L78-M82 HydrophobicContact CB-CG 4.21Å; L78-M82 HydrophobicContact CB-SD 4.21Å; L78-M82 PolarHBondContact O-N 3.03Å; L78-V224 HydrophobicContact CD1-CG1 4.27Å; L78-V224 HydrophobicContact CD1-CG2 4.02Å; L78-V224 HydrophobicContact CG-CG1 4.15Å; L78-L227 HydrophobicContact CD1-CD1 4.45Å; L78-L227 HydrophobicContact CD2-CB 3.6Å; L78-L227 HydrophobicContact CD2-CD1 4.11Å; L78-V228 HydrophobicContact CD2-CG1 3.64Å; L78-V228 HydrophobicContact CG-CG1 4.05Å |
| 79 | T | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -49.7 | -50.4 | -171.5 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | E75 A76 R81 M82 L83 S91 I94 H95 L98 | E75-T79 PolarHBondContact O-N 3.14Å; E75-T79 PolarHBondContact O-OG1 3.09Å; A76-T79 WeakPolarHBondContact CA-OG1 3.39Å; A76-T79 WeakPolarHBondContact O-CB 3.35Å; A76-T79 PolarHBondContact O-N 2.74Å; A76-T79 PolarHBondContact O-OG1 3.27Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 2.95Å; T79-M82 PolarHBondContact O-N 3.39Å; T79-L83 HydrophobicContact CG2-CD1 3.95Å; T79-L83 VanDerWaalsContact O-CB 3.23Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 2.97Å; T79-S91 WeakPolarHBondContact CG2-O 3.42Å; T79-I94 HydrophobicContact CG2-CB 4.29Å; T79-I94 HydrophobicContact CG2-CG2 3.94Å; T79-H95 HydrophobicContact CG2-CB 4.12Å; T79-L98 WeakPolarHBondContact OG1-CD1 3.45Å |
| 80 | Y | 95.2 | Very high | 95.7 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.4 | -22.8 | 179.8 | -76.2 | -73.6 | 0 | 0 | 0 | 114.2 | L78 S91 K92 H95 R235 | L78-Y80 VanDerWaalsContact C-N 3.33Å; L78-Y80 PolarHBondContact O-N 3.37Å; Y80-S91 VanDerWaalsContact CE1-OG 3.3Å; Y80-S91 WeakPolarHBondContact CE1-OG 3.43Å; Y80-K92 VanDerWaalsContact OH-CA 3.25Å; Y80-K92 WeakPolarHBondContact OH-CA 3.26Å; Y80-K92 WeakPolarHBondContact OH-CB 3.1Å; Y80-K92 WeakPolarHBondContact OH-CG 3.49Å; Y80-H95 HydrophobicContact CE2-CB 4.19Å; Y80-R235 WeakPolarHBondContact O-CB 3.48Å |
| 81 | R | 95.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78 | -45.3 | 176.3 | -55.9 | -65.3 | -177.5 | 146 | -3.5 | 110.4 | F19 L78 T79 R84 V228 N230 Y233 | F19-R81 WeakPolarHBondContact CE1-O 3.47Å; F19-R81 HydrophobicContact CE2-CB 3.85Å; F19-R81 VanDerWaalsContact CZ-C 3.48Å; F19-R81 HydrophobicContact CZ-CB 3.67Å; F19-R81 WeakPolarHBondContact CZ-O 3.26Å; L78-R81 WeakPolarHBondContact O-CA 3.2Å; L78-R81 WeakPolarHBondContact O-CB 3.4Å; L78-R81 PolarHBondContact O-N 3.46Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 2.95Å; R81-R84 WeakPolarHBondContact O-CB 3.27Å; R81-V228 VanDerWaalsContact CZ-O 3.28Å; R81-V228 PolarHBondContact NH2-O 3.26Å; R81-N230 PolarHBondContact NH1-O 2.7Å; R81-Y233 WeakPolarHBondContact CD-O 3.35Å; R81-Y233 PolarHBondContact NH1-O 3.31Å |
| 82 | M | 95.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 45 Ų | 45 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.6 | -41.6 | 179.8 | -63.6 | -171.3 | -68.8 | 0 | 0 | 111.7 | F19 E75 L78 T79 R84 | F19-M82 HydrophobicContact CZ-CG 4.12Å; E75-M82 WeakPolarHBondContact OE2-CE 3.4Å; L78-M82 HydrophobicContact CB-CE 3.62Å; L78-M82 HydrophobicContact CB-CG 4.21Å; L78-M82 HydrophobicContact CB-SD 4.21Å; L78-M82 PolarHBondContact O-N 3.03Å; T79-M82 PolarHBondContact O-N 3.39Å; M82-R84 VanDerWaalsContact C-N 3.25Å; M82-R84 PolarHBondContact O-N 3.44Å |
| 83 | L | 94.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 36.9 | 177.8 | -55.2 | -177.1 | 0 | 0 | 0 | 112 | T79 Y85 T86 I94 | T79-L83 HydrophobicContact CG2-CD1 3.95Å; T79-L83 VanDerWaalsContact O-CB 3.23Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 2.97Å; L83-Y85 PolarHBondContact O-N 3.28Å; L83-T86 WeakPolarHBondContact O-CB 3.42Å; L83-T86 PolarHBondContact O-N 3.21Å; L83-I94 HydrophobicContact CD1-CD1 3.66Å |
| 84 | R | 91.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.5 | -175.6 | 63.8 | -175.9 | -67.6 | 149.4 | -0.3 | 114.1 | R81 M82 K234 R235 | R81-R84 WeakPolarHBondContact O-CB 3.27Å; M82-R84 VanDerWaalsContact C-N 3.25Å; M82-R84 PolarHBondContact O-N 3.44Å; R84-K234 PolarHBondContact NH2-O 3.39Å; R84-R235 HydrophobicContact CB-CB 4.23Å; R84-R235 HydrophobicContact CB-CG 4.43Å; R84-R235 PolarHBondContact O-NE 3.02Å |
| 85 | Y | 91.6 | Very high | 95.2 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 8.2 | 178 | -55.5 | -64.1 | 0 | 0 | 0 | 113.1 | L9 L16 L83 | L9-Y85 HydrophobicContact CB-CE1 4.06Å; L9-Y85 HydrophobicContact CD1-CE1 4.03Å; L16-Y85 WeakPolarHBondContact CD1-OH 3.34Å; L83-Y85 PolarHBondContact O-N 3.28Å |
| 86 | T | 93 | Very high | 95.1 | Very high | 39 Ų | 39 | 51 Ų | 51 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -102.6 | 142.3 | -178.7 | -49.9 | 0 | 0 | 0 | 0 | 110.1 | L83 I90 R235 | L83-T86 WeakPolarHBondContact O-CB 3.42Å; L83-T86 PolarHBondContact O-N 3.21Å; T86-I90 HydrophobicContact CG2-CB 3.78Å; T86-I90 HydrophobicContact CG2-CD1 4.12Å; T86-I90 HydrophobicContact CG2-CG2 3.81Å; T86-R235 PolarHBondContact O-NE 3.08Å; T86-R235 PolarHBondContact O-NH2 3.09Å |
| 87 | R | 92.8 | Very high | 95.1 | Very high | 139 Ų | 139 | 53.3 Ų | 53.3 | 53% | 0.525 | 27% | 0.273 | S | S | . | . | trans | -57.9 | 144.3 | 176.8 | -67.6 | 179.7 | 176.7 | 163.3 | 2.1 | 112.1 | S89 I90 S91 L238 E240 E241 | R87-S89 PolarHBondContact O-N 2.87Å; R87-I90 PolarHBondContact O-N 3.2Å; R87-S91 PolarHBondContact O-N 3.46Å; R87-S91 PolarHBondContact O-OG 2.96Å; R87-L238 HydrophobicContact CB-CD1 4.45Å; R87-L238 HydrophobicContact CG-CD1 3.81Å; R87-E240 IonicContact CZ-OE1 3.29Å; R87-E240 IonicContact NE-OE1 3.89Å; R87-E240 PolarHBondContact NE-OE1 3.38Å; R87-E240 IonicContact NH2-OE1 3.15Å; R87-E240 PolarHBondContact NH2-OE1 3.41Å; R87-E241 WeakPolarHBondContact CA-OE1 3.29Å | ||
| 88 | K | 91.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.2 | -30.8 | 176.7 | -73.6 | 174.9 | -175 | 168.2 | 0 | 112.6 | I90 S91 K92 E241 | K88-I90 PolarHBondContact O-N 3.32Å; K88-I90 VanDerWaalsContact O-N 3.14Å; K88-S91 WeakPolarHBondContact CA-OG 3.42Å; K88-K92 WeakPolarHBondContact O-CB 3.35Å; K88-K92 PolarHBondContact O-N 2.94Å; K88-E241 WeakPolarHBondContact CE-OE2 2.92Å; K88-E241 PolarHBondContact N-OE1 3.07Å |
| 89 | S | 90.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 54.4 Ų | 54.4 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -18.9 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | R87 P93 | R87-S89 PolarHBondContact O-N 2.87Å; S89-P93 VanDerWaalsContact O-CD 3.29Å; S89-P93 WeakPolarHBondContact O-CD 3.43Å; S89-P93 VanDerWaalsContact O-CG 3.29Å; S89-P93 WeakPolarHBondContact O-CG 3.38Å |
| 90 | I | 94.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 56 Ų | 56 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -105.4 | -48.6 | 176.4 | -61.1 | 170.6 | 0 | 0 | 0 | 110.9 | T86 R87 K88 K92 P93 I94 | T86-I90 HydrophobicContact CG2-CB 3.78Å; T86-I90 HydrophobicContact CG2-CD1 4.12Å; T86-I90 HydrophobicContact CG2-CG2 3.81Å; R87-I90 PolarHBondContact O-N 3.2Å; K88-I90 PolarHBondContact O-N 3.32Å; K88-I90 VanDerWaalsContact O-N 3.14Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.15Å; I90-P93 WeakPolarHBondContact O-CD 3.46Å; I90-I94 HydrophobicContact CG2-CD1 3.95Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 2.92Å |
| 91 | S | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.9 | -31.8 | -176.6 | 51.2 | 0 | 0 | 0 | 0 | 113 | T79 Y80 R87 K88 I94 H95 | T79-S91 WeakPolarHBondContact CG2-O 3.42Å; Y80-S91 VanDerWaalsContact CE1-OG 3.3Å; Y80-S91 WeakPolarHBondContact CE1-OG 3.43Å; R87-S91 PolarHBondContact O-N 3.46Å; R87-S91 PolarHBondContact O-OG 2.96Å; K88-S91 WeakPolarHBondContact CA-OG 3.42Å; S91-I94 PolarHBondContact O-N 3.05Å; S91-H95 PolarHBondContact O-N 2.95Å |
| 92 | K | 94.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.9 | -47 | -178.8 | -162.4 | -172 | -169.8 | -146 | 0 | 112.8 | Y80 K88 I90 I94 H95 I96 F153 F154 | Y80-K92 VanDerWaalsContact OH-CA 3.25Å; Y80-K92 WeakPolarHBondContact OH-CA 3.26Å; Y80-K92 WeakPolarHBondContact OH-CB 3.1Å; Y80-K92 WeakPolarHBondContact OH-CG 3.49Å; K88-K92 WeakPolarHBondContact O-CB 3.35Å; K88-K92 PolarHBondContact O-N 2.94Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.15Å; K92-I94 VanDerWaalsContact C-N 3.31Å; K92-I94 PolarHBondContact O-N 2.72Å; K92-H95 PolarHBondContact O-N 2.74Å; K92-I96 WeakPolarHBondContact O-CG1 3.48Å; K92-I96 PolarHBondContact O-N 3.05Å; K92-I96 VanDerWaalsContact O-N 3.09Å; K92-F153 PolarHBondContact NZ-O 3.41Å; K92-F154 HydrophobicContact CB-CZ 4.23Å; K92-F154 HydrophobicContact CD-CD2 4.4Å; K92-F154 HydrophobicContact CD-CE1 4.01Å; K92-F154 HydrophobicContact CD-CE2 3.42Å; K92-F154 VanDerWaalsContact CD-CE2 3.42Å; K92-F154 HydrophobicContact CD-CZ 3.18Å; K92-F154 HydrophobicContact CG-CE1 4.49Å; K92-F154 HydrophobicContact CG-CE2 3.45Å; K92-F154 VanDerWaalsContact CG-CE2 3.45Å; K92-F154 HydrophobicContact CG-CZ 3.33Å |
| 93 | P | 95.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 170.1 | -28.1 | 35.5 | 0 | 0 | 0 | 114 | S89 I90 I96 A97 | S89-P93 VanDerWaalsContact O-CD 3.29Å; S89-P93 WeakPolarHBondContact O-CD 3.43Å; S89-P93 VanDerWaalsContact O-CG 3.29Å; S89-P93 WeakPolarHBondContact O-CG 3.38Å; I90-P93 WeakPolarHBondContact O-CD 3.46Å; P93-I96 PolarHBondContact O-N 3.5Å; P93-A97 WeakPolarHBondContact O-CB 3.23Å; P93-A97 PolarHBondContact O-N 3.34Å |
| 94 | I | 97.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 177 | -67.9 | 168.6 | 0 | 0 | 0 | 110.6 | T79 L83 I90 S91 K92 I96 A97 L98 | T79-I94 HydrophobicContact CG2-CB 4.29Å; T79-I94 HydrophobicContact CG2-CG2 3.94Å; L83-I94 HydrophobicContact CD1-CD1 3.66Å; I90-I94 HydrophobicContact CG2-CD1 3.95Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 2.92Å; S91-I94 PolarHBondContact O-N 3.05Å; K92-I94 VanDerWaalsContact C-N 3.31Å; K92-I94 PolarHBondContact O-N 2.72Å; I94-I96 VanDerWaalsContact C-N 3.34Å; I94-I96 PolarHBondContact O-N 3.5Å; I94-A97 PolarHBondContact O-N 2.86Å; I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 HydrophobicContact CG2-CG 4.49Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 2.87Å |
| 95 | H | 97.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 177.2 | 173.8 | 81.8 | 0 | 0 | 0 | 112.2 | A76 T79 Y80 S91 K92 H99 | A76-H95 PolarHBondContact O-ND1 3.49Å; T79-H95 HydrophobicContact CG2-CB 4.12Å; Y80-H95 HydrophobicContact CE2-CB 4.19Å; S91-H95 PolarHBondContact O-N 2.95Å; K92-H95 PolarHBondContact O-N 2.74Å; H95-H99 AromaticContact CD2-CD2 3.94Å; H95-H99 AromaticContact CE1-CD2 3.41Å; H95-H99 PolarHBondContact CE1-CD2 3.37Å; H95-H99 VanDerWaalsContact CE1-CD2 3.41Å; H95-H99 AromaticContact CE1-NE2 3.14Å; H95-H99 PolarHBondContact CE1-NE2 3.18Å; H95-H99 AromaticContact ND1-CD2 3.98Å; H95-H99 AromaticContact ND1-NE2 3.89Å; H95-H99 AromaticContact NE2-CD2 3.39Å; H95-H99 PolarHBondContact NE2-CD2 2.84Å; H95-H99 AromaticContact NE2-NE2 3.53Å; H95-H99 PolarHBondContact O-CD2 2.86Å; H95-H99 PolarHBondContact O-N 2.85Å |
| 96 | I | 97 | Very high | 96.4 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.5 | -63.2 | 162.5 | 0 | 0 | 0 | 111 | K92 P93 I94 L98 H99 S100 Y146 F154 | K92-I96 WeakPolarHBondContact O-CG1 3.48Å; K92-I96 PolarHBondContact O-N 3.05Å; K92-I96 VanDerWaalsContact O-N 3.09Å; P93-I96 PolarHBondContact O-N 3.5Å; I94-I96 VanDerWaalsContact C-N 3.34Å; I94-I96 PolarHBondContact O-N 3.5Å; I96-L98 VanDerWaalsContact C-N 3.28Å; I96-L98 PolarHBondContact O-N 3.33Å; I96-H99 CarbonylContact O-C 3.43Å; I96-H99 PolarHBondContact O-N 3.18Å; I96-H99 VanDerWaalsContact O-N 3.11Å; I96-S100 PolarHBondContact O-N 3.46Å; I96-S100 PolarHBondContact O-OG 3.3Å; I96-Y146 HydrophobicContact CG2-CE2 4.46Å; I96-F154 HydrophobicContact CD1-CD1 4.49Å; I96-F154 HydrophobicContact CD1-CD2 3.85Å; I96-F154 HydrophobicContact CD1-CE1 3.85Å; I96-F154 HydrophobicContact CD1-CE2 3.06Å; I96-F154 HydrophobicContact CD1-CG 4.48Å; I96-F154 HydrophobicContact CD1-CZ 3.06Å; I96-F154 HydrophobicContact CG1-CE2 3.82Å; I96-F154 HydrophobicContact CG1-CZ 4.18Å |
| 97 | A | 98 | Very high | 96.7 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P93 I94 H99 S100 I101 | P93-A97 WeakPolarHBondContact O-CB 3.23Å; P93-A97 PolarHBondContact O-N 3.34Å; I94-A97 PolarHBondContact O-N 2.86Å; A97-H99 PolarHBondContact O-N 3.23Å; A97-S100 PolarHBondContact O-N 3.37Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.34Å; A97-I101 PolarHBondContact O-N 3.17Å |
| 98 | L | 98.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176 | -68.8 | 169.4 | 0 | 0 | 0 | 112.3 | L72 E75 A76 T79 I94 I96 I101 T102 | L72-L98 HydrophobicContact CD2-CD2 3.96Å; E75-L98 HydrophobicContact CB-CD1 4.07Å; A76-L98 HydrophobicContact CB-CB 3.79Å; A76-L98 HydrophobicContact CB-CD1 4.27Å; T79-L98 WeakPolarHBondContact OG1-CD1 3.45Å; I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 HydrophobicContact CG2-CG 4.49Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 2.87Å; I96-L98 VanDerWaalsContact C-N 3.28Å; I96-L98 PolarHBondContact O-N 3.33Å; L98-I101 PolarHBondContact O-N 2.89Å; L98-T102 WeakPolarHBondContact O-CB 3.39Å; L98-T102 PolarHBondContact O-N 3.32Å; L98-T102 PolarHBondContact O-OG1 3.28Å |
| 99 | H | 98.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 48 Ų | 48 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.1 | -33.3 | 175 | -77.6 | -49.6 | 0 | 0 | 0 | 113.4 | A76 H95 I96 A97 T102 F103 F142 Y146 | A76-H99 VanDerWaalsContact CB-CE1 3.43Å; A76-H99 WeakPolarHBondContact CB-CE1 3.33Å; A76-H99 WeakPolarHBondContact CB-NE2 3.37Å; H95-H99 AromaticContact CD2-CD2 3.94Å; H95-H99 AromaticContact CE1-CD2 3.41Å; H95-H99 PolarHBondContact CE1-CD2 3.37Å; H95-H99 VanDerWaalsContact CE1-CD2 3.41Å; H95-H99 AromaticContact CE1-NE2 3.14Å; H95-H99 PolarHBondContact CE1-NE2 3.18Å; H95-H99 AromaticContact ND1-CD2 3.98Å; H95-H99 AromaticContact ND1-NE2 3.89Å; H95-H99 AromaticContact NE2-CD2 3.39Å; H95-H99 PolarHBondContact NE2-CD2 2.84Å; H95-H99 AromaticContact NE2-NE2 3.53Å; H95-H99 PolarHBondContact O-CD2 2.86Å; H95-H99 PolarHBondContact O-N 2.85Å; I96-H99 CarbonylContact O-C 3.43Å; I96-H99 PolarHBondContact O-N 3.18Å; I96-H99 VanDerWaalsContact O-N 3.11Å; A97-H99 PolarHBondContact O-N 3.23Å; H99-T102 WeakPolarHBondContact O-CB 3.17Å; H99-T102 PolarHBondContact O-N 3.48Å; H99-F103 PolarHBondContact O-N 2.94Å; H99-F142 HydrophobicContact CB-CZ 4.01Å; H99-F142 AromaticContact ND1-CE2 3.53Å; H99-F142 AromaticContact ND1-CZ 3.63Å; H99-Y146 HydrophobicContact CB-CD2 3.98Å; H99-Y146 HydrophobicContact CB-CE2 3.92Å |
| 100 | S | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 173.9 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | I96 A97 F103 L104 Y146 | I96-S100 PolarHBondContact O-N 3.46Å; I96-S100 PolarHBondContact O-OG 3.3Å; A97-S100 PolarHBondContact O-N 3.37Å; S100-F103 WeakPolarHBondContact O-CB 3.48Å; S100-F103 PolarHBondContact O-N 3.39Å; S100-L104 WeakPolarHBondContact O-CG 3.38Å; S100-L104 PolarHBondContact O-N 2.88Å; S100-L104 VanDerWaalsContact O-N 3.14Å; S100-Y146 PolarHBondContact OG-OH 2.89Å |
| 101 | I | 98.7 | Very high | 97.9 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 174.7 | -61 | 163.2 | 0 | 0 | 0 | 109.9 | L72 A97 L98 F103 L104 C105 | L72-I101 HydrophobicContact CD1-CB 4.05Å; L72-I101 HydrophobicContact CD1-CG2 3.45Å; L72-I101 VanDerWaalsContact CD1-CG2 3.45Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.34Å; A97-I101 PolarHBondContact O-N 3.17Å; L98-I101 PolarHBondContact O-N 2.89Å; I101-F103 VanDerWaalsContact C-N 3.27Å; I101-F103 PolarHBondContact O-N 3.45Å; I101-L104 PolarHBondContact O-N 3.43Å; I101-L104 VanDerWaalsContact O-N 3.13Å; I101-C105 PolarHBondContact O-N 2.83Å; I101-C105 PolarHBondContact O-SG 3.5Å; I101-C105 VanDerWaalsContact O-SG 3.36Å |
| 102 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.5 | -45.3 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | G68 M69 L72 M73 L98 H99 C105 F106 F142 | G68-T102 VanDerWaalsContact O-CG2 3.3Å; G68-T102 WeakPolarHBondContact O-CG2 3.33Å; G68-T102 PolarHBondContact O-OG1 3.39Å; M69-T102 HydrophobicContact CG-CG2 4.38Å; M69-T102 HydrophobicContact SD-CG2 3.62Å; L72-T102 VanDerWaalsContact CB-OG1 3.31Å; L72-T102 WeakPolarHBondContact CB-OG1 3.43Å; M73-T102 HydrophobicContact CB-CG2 4.47Å; L98-T102 WeakPolarHBondContact O-CB 3.39Å; L98-T102 PolarHBondContact O-N 3.32Å; L98-T102 PolarHBondContact O-OG1 3.28Å; H99-T102 WeakPolarHBondContact O-CB 3.17Å; H99-T102 PolarHBondContact O-N 3.48Å; T102-C105 WeakPolarHBondContact O-CB 3.27Å; T102-C105 PolarHBondContact O-N 3.05Å; T102-F106 HydrophobicContact CG2-CD1 4.42Å; T102-F106 VanDerWaalsContact O-CD1 3.25Å; T102-F106 WeakPolarHBondContact O-CD1 3.42Å; T102-F106 PolarHBondContact O-N 3.03Å; T102-F106 VanDerWaalsContact O-N 3.09Å; T102-F142 HydrophobicContact CG2-CE2 3.86Å; T102-F142 HydrophobicContact CG2-CZ 3.77Å |
| 103 | F | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 175.5 | 175.1 | -90.3 | 0 | 0 | 0 | 112.2 | H99 S100 I101 C105 F106 V107 F142 | H99-F103 PolarHBondContact O-N 2.94Å; S100-F103 WeakPolarHBondContact O-CB 3.48Å; S100-F103 PolarHBondContact O-N 3.39Å; I101-F103 VanDerWaalsContact C-N 3.27Å; I101-F103 PolarHBondContact O-N 3.45Å; F103-C105 VanDerWaalsContact C-N 3.34Å; F103-C105 PolarHBondContact O-N 3.46Å; F103-F106 VanDerWaalsContact CA-CE1 3.46Å; F103-F106 HydrophobicContact CB-CE1 4.16Å; F103-F106 HydrophobicContact CB-CZ 4.23Å; F103-F106 HydrophobicContact CD2-CE1 4.06Å; F103-F106 AromaticContact CD2-CE2 3.87Å; F103-F106 HydrophobicContact CD2-CE2 3.87Å; F103-F106 AromaticContact CD2-CZ 3.3Å; F103-F106 HydrophobicContact CD2-CZ 3.3Å; F103-F106 HydrophobicContact CE2-CE2 4.09Å; F103-F106 AromaticContact CE2-CZ 3.9Å; F103-F106 HydrophobicContact CE2-CZ 3.9Å; F103-F106 HydrophobicContact CG-CE1 4.47Å; F103-F106 HydrophobicContact CG-CZ 4.04Å; F103-F106 PolarHBondContact O-N 3.31Å; F103-V107 HydrophobicContact CD1-CG2 4.24Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CZ-CG2 3.82Å; F103-V107 VanDerWaalsContact O-CG2 3.29Å; F103-V107 WeakPolarHBondContact O-CG2 3.44Å; F103-V107 PolarHBondContact O-N 3.4Å; F103-F142 HydrophobicContact CB-CE1 4.41Å |
| 104 | L | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 43.9 Ų | 43.9 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.7 | -63.4 | 176 | 0 | 0 | 0 | 112.1 | S100 I101 V107 L108 | S100-L104 WeakPolarHBondContact O-CG 3.38Å; S100-L104 PolarHBondContact O-N 2.88Å; S100-L104 VanDerWaalsContact O-N 3.14Å; I101-L104 PolarHBondContact O-N 3.43Å; I101-L104 VanDerWaalsContact O-N 3.13Å; L104-V107 PolarHBondContact O-N 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-L108 VanDerWaalsContact O-N 3.11Å |
| 105 | C | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -52.2 | 177.2 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | I101 T102 F103 V107 L108 A109 | I101-C105 PolarHBondContact O-N 2.83Å; I101-C105 PolarHBondContact O-SG 3.5Å; I101-C105 VanDerWaalsContact O-SG 3.36Å; T102-C105 WeakPolarHBondContact O-CB 3.27Å; T102-C105 PolarHBondContact O-N 3.05Å; F103-C105 VanDerWaalsContact C-N 3.34Å; F103-C105 PolarHBondContact O-N 3.46Å; C105-V107 VanDerWaalsContact C-N 3.35Å; C105-V107 PolarHBondContact O-N 2.77Å; C105-L108 PolarHBondContact O-N 3.04Å; C105-A109 WeakPolarHBondContact O-CB 3.37Å; C105-A109 PolarHBondContact O-N 3.04Å |
| 106 | F | 97.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.9 | -28.8 | -178.3 | 72.1 | -119.5 | 0 | 0 | 0 | 112.7 | M65 M69 T102 F103 L108 A109 L110 V139 F142 | M65-F106 HydrophobicContact CE-CB 4.11Å; M65-F106 HydrophobicContact SD-CB 3.69Å; M69-F106 HydrophobicContact CG-CB 4.28Å; M69-F106 HydrophobicContact CG-CD1 4.27Å; M69-F106 HydrophobicContact SD-CD1 3.6Å; M69-F106 HydrophobicContact SD-CE1 4.15Å; T102-F106 HydrophobicContact CG2-CD1 4.42Å; T102-F106 VanDerWaalsContact O-CD1 3.25Å; T102-F106 WeakPolarHBondContact O-CD1 3.42Å; T102-F106 PolarHBondContact O-N 3.03Å; T102-F106 VanDerWaalsContact O-N 3.09Å; F103-F106 VanDerWaalsContact CA-CE1 3.46Å; F103-F106 HydrophobicContact CB-CE1 4.16Å; F103-F106 HydrophobicContact CB-CZ 4.23Å; F103-F106 HydrophobicContact CD2-CE1 4.06Å; F103-F106 AromaticContact CD2-CE2 3.87Å; F103-F106 HydrophobicContact CD2-CE2 3.87Å; F103-F106 AromaticContact CD2-CZ 3.3Å; F103-F106 HydrophobicContact CD2-CZ 3.3Å; F103-F106 HydrophobicContact CE2-CE2 4.09Å; F103-F106 AromaticContact CE2-CZ 3.9Å; F103-F106 HydrophobicContact CE2-CZ 3.9Å; F103-F106 HydrophobicContact CG-CE1 4.47Å; F103-F106 HydrophobicContact CG-CZ 4.04Å; F103-F106 PolarHBondContact O-N 3.31Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-A109 PolarHBondContact O-N 2.99Å; F106-L110 HydrophobicContact CD2-CD1 4.1Å; F106-L110 VanDerWaalsContact O-CB 3.32Å; F106-L110 WeakPolarHBondContact O-CB 3.2Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.45Å; F106-V139 HydrophobicContact CD2-CB 4.45Å; F106-V139 HydrophobicContact CD2-CG1 4.26Å; F106-V139 HydrophobicContact CE2-CB 4.38Å; F106-V139 HydrophobicContact CG-CG1 4.22Å; F106-F142 AromaticContact CE1-CD1 3.61Å; F106-F142 HydrophobicContact CE1-CD1 3.61Å; F106-F142 AromaticContact CE1-CE1 3.85Å; F106-F142 HydrophobicContact CE1-CE1 3.85Å; F106-F142 HydrophobicContact CE1-CG 4.26Å; F106-F142 HydrophobicContact CZ-CD1 4.12Å |
| 107 | V | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 38% | 0.382 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 174.3 | 166 | 0 | 0 | 0 | 0 | 110.2 | F103 L104 C105 L110 K111 | F103-V107 HydrophobicContact CD1-CG2 4.24Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CZ-CG2 3.82Å; F103-V107 VanDerWaalsContact O-CG2 3.29Å; F103-V107 WeakPolarHBondContact O-CG2 3.44Å; F103-V107 PolarHBondContact O-N 3.4Å; L104-V107 PolarHBondContact O-N 3.28Å; C105-V107 VanDerWaalsContact C-N 3.35Å; C105-V107 PolarHBondContact O-N 2.77Å; V107-L110 PolarHBondContact O-N 3.45Å; V107-K111 WeakPolarHBondContact O-CB 3.49Å; V107-K111 PolarHBondContact O-N 3.11Å |
| 108 | L | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 45 Ų | 45 | 42% | 0.424 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.3 | -67.5 | 176.3 | 0 | 0 | 0 | 111.8 | W50 L64 L104 C105 F106 L110 K111 A112 | W50-L108 HydrophobicContact CH2-CD2 4.39Å; L64-L108 HydrophobicContact CD1-CB 3.73Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-L108 VanDerWaalsContact O-N 3.11Å; C105-L108 PolarHBondContact O-N 3.04Å; F106-L108 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.36Å; L108-K111 PolarHBondContact O-N 3.48Å; L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 3.39Å |
| 109 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H61 L64 M65 C105 F106 A112 V113 | H61-A109 PolarHBondContact ND1-O 3.41Å; L64-A109 HydrophobicContact CB-CB 3.69Å; L64-A109 HydrophobicContact CD1-CB 4.41Å; M65-A109 HydrophobicContact CE-CB 4.06Å; M65-A109 HydrophobicContact CG-CB 3.84Å; M65-A109 HydrophobicContact SD-CB 4.01Å; C105-A109 WeakPolarHBondContact O-CB 3.37Å; C105-A109 PolarHBondContact O-N 3.04Å; F106-A109 PolarHBondContact O-N 2.99Å; A109-A112 PolarHBondContact O-N 3.29Å; A109-V113 PolarHBondContact O-N 3.33Å |
| 110 | L | 98.7 | Very high | 98.3 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -48.2 | 177.3 | -72.3 | 174.1 | 0 | 0 | 0 | 109.9 | M65 F106 V107 L108 A112 V113 F114 V139 | M65-L110 HydrophobicContact CE-CD2 3.65Å; M65-L110 HydrophobicContact CE-CG 3.83Å; F106-L110 HydrophobicContact CD2-CD1 4.1Å; F106-L110 VanDerWaalsContact O-CB 3.32Å; F106-L110 WeakPolarHBondContact O-CB 3.2Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.45Å; V107-L110 PolarHBondContact O-N 3.45Å; L108-L110 PolarHBondContact O-N 3.36Å; L110-A112 PolarHBondContact O-N 2.94Å; L110-V113 VanDerWaalsContact O-CG1 3.22Å; L110-V113 WeakPolarHBondContact O-CG1 3.44Å; L110-V113 PolarHBondContact O-N 3.39Å; L110-F114 HydrophobicContact CB-CD2 4.37Å; L110-F114 HydrophobicContact CB-CE2 4.45Å; L110-F114 HydrophobicContact CD2-CE2 4.46Å; L110-F114 WeakPolarHBondContact O-CD2 3.41Å; L110-F114 PolarHBondContact O-N 3.04Å; L110-V139 HydrophobicContact CD1-CG2 4.27Å |
| 111 | K | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.7 | -45.8 | 174.8 | -177.8 | -179.9 | 170.7 | -166 | 0 | 111.3 | W50 V107 L108 V113 F114 Y115 | W50-K111 HydrophobicContact CH2-CB 4.48Å; W50-K111 HydrophobicContact CH2-CD 4.22Å; W50-K111 HydrophobicContact CH2-CG 4.39Å; W50-K111 HydrophobicContact CZ2-CD 3.81Å; W50-K111 HydrophobicContact CZ2-CG 4.32Å; V107-K111 WeakPolarHBondContact O-CB 3.49Å; V107-K111 PolarHBondContact O-N 3.11Å; L108-K111 PolarHBondContact O-N 3.48Å; K111-V113 PolarHBondContact O-N 3.35Å; K111-F114 PolarHBondContact O-N 2.79Å; K111-Y115 VanDerWaalsContact CE-CE2 3.46Å; K111-Y115 HydrophobicContact CG-CD1 4.3Å; K111-Y115 HydrophobicContact CG-CD2 4.48Å; K111-Y115 HydrophobicContact CG-CE1 4.15Å; K111-Y115 HydrophobicContact CG-CE2 4.38Å; K111-Y115 HydrophobicContact CG-CG 4.47Å; K111-Y115 WeakPolarHBondContact O-CB 3.47Å; K111-Y115 WeakPolarHBondContact O-CD1 3.43Å; K111-Y115 PolarHBondContact O-N 2.91Å |
| 112 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W50 L108 A109 L110 Y115 S116 | W50-A112 HydrophobicContact CH2-CB 4.3Å; W50-A112 HydrophobicContact CZ3-CB 3.8Å; L108-A112 WeakPolarHBondContact O-CB 3.4Å; L108-A112 PolarHBondContact O-N 3.39Å; A109-A112 PolarHBondContact O-N 3.29Å; L110-A112 PolarHBondContact O-N 2.94Å; A112-Y115 PolarHBondContact O-N 3.25Å; A112-S116 WeakPolarHBondContact O-CB 3.42Å; A112-S116 PolarHBondContact O-N 3Å |
| 113 | V | 98.4 | Very high | 98.1 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.3 | -37.2 | -179.8 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | F58 H61 A109 L110 K111 Y115 S116 H117 | F58-V113 HydrophobicContact CD2-CG2 3.95Å; F58-V113 HydrophobicContact CE2-CG2 3.89Å; H61-V113 HydrophobicContact CB-CB 4.01Å; A109-V113 PolarHBondContact O-N 3.33Å; L110-V113 VanDerWaalsContact O-CG1 3.22Å; L110-V113 WeakPolarHBondContact O-CG1 3.44Å; L110-V113 PolarHBondContact O-N 3.39Å; K111-V113 PolarHBondContact O-N 3.35Å; V113-Y115 VanDerWaalsContact C-N 3.31Å; V113-Y115 PolarHBondContact O-N 3.19Å; V113-S116 WeakPolarHBondContact CA-OG 3.42Å; V113-S116 PolarHBondContact O-N 3.38Å; V113-S116 PolarHBondContact O-OG 2.86Å; V113-H117 PolarHBondContact O-N 3.16Å; V113-H117 VanDerWaalsContact O-N 3.11Å |
| 114 | F | 98.4 | Very high | 98 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.3 | -82.7 | -76.3 | 0 | 0 | 0 | 110.7 | L110 K111 H117 N118 N126 L127 | L110-F114 HydrophobicContact CB-CD2 4.37Å; L110-F114 HydrophobicContact CB-CE2 4.45Å; L110-F114 HydrophobicContact CD2-CE2 4.46Å; L110-F114 WeakPolarHBondContact O-CD2 3.41Å; L110-F114 PolarHBondContact O-N 3.04Å; K111-F114 PolarHBondContact O-N 2.79Å; F114-H117 PolarHBondContact O-N 2.72Å; F114-N118 WeakPolarHBondContact O-CB 3.27Å; F114-N118 PolarHBondContact O-N 3.23Å; F114-N118 PolarHBondContact O-ND2 2.91Å; F114-N118 PolarHBondContact O-OD1 3.4Å; F114-N126 HydrophobicContact CD1-CB 3.85Å; F114-N126 WeakPolarHBondContact CD1-OD1 3.47Å; F114-N126 HydrophobicContact CE1-CB 3.62Å; F114-L127 HydrophobicContact CZ-CD2 4.28Å; F114-L127 HydrophobicContact CZ-CG 4.36Å |
| 115 | Y | 98.2 | Very high | 97.9 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.1 | -80.5 | 22.2 | 0 | 0 | 0 | 111.2 | K111 A112 V113 H117 N118 Y119 | K111-Y115 VanDerWaalsContact CE-CE2 3.46Å; K111-Y115 HydrophobicContact CG-CD1 4.3Å; K111-Y115 HydrophobicContact CG-CD2 4.48Å; K111-Y115 HydrophobicContact CG-CE1 4.15Å; K111-Y115 HydrophobicContact CG-CE2 4.38Å; K111-Y115 HydrophobicContact CG-CG 4.47Å; K111-Y115 WeakPolarHBondContact O-CB 3.47Å; K111-Y115 WeakPolarHBondContact O-CD1 3.43Å; K111-Y115 PolarHBondContact O-N 2.91Å; A112-Y115 PolarHBondContact O-N 3.25Å; V113-Y115 VanDerWaalsContact C-N 3.31Å; V113-Y115 PolarHBondContact O-N 3.19Å; Y115-H117 PolarHBondContact O-N 3.43Å; Y115-N118 PolarHBondContact O-N 3.43Å; Y115-Y119 AromaticContact CD2-CE2 3.73Å; Y115-Y119 HydrophobicContact CD2-CE2 3.73Å; Y115-Y119 HydrophobicContact CE2-CE2 4.31Å; Y115-Y119 HydrophobicContact CG-CD2 4.38Å; Y115-Y119 AromaticContact CG-CE2 3.84Å; Y115-Y119 HydrophobicContact CG-CE2 3.84Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.11Å; Y115-Y119 PolarHBondContact O-N 2.9Å |
| 116 | S | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -27.6 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | P54 A112 V113 V120 | P54-S116 WeakPolarHBondContact CB-O 3.3Å; P54-S116 WeakPolarHBondContact O-CB 3.19Å; A112-S116 WeakPolarHBondContact O-CB 3.42Å; A112-S116 PolarHBondContact O-N 3Å; V113-S116 WeakPolarHBondContact CA-OG 3.42Å; V113-S116 PolarHBondContact O-N 3.38Å; V113-S116 PolarHBondContact O-OG 2.86Å; S116-V120 VanDerWaalsContact O-CG2 3.26Å; S116-V120 WeakPolarHBondContact O-CG2 3.41Å |
| 117 | H | 98 | Very high | 97.9 | Very high | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -81.9 | -41.3 | 174.2 | -78.4 | -155.8 | 0 | 0 | 0 | 112.3 | V113 F114 Y115 I124 N126 Y128 | V113-H117 PolarHBondContact O-N 3.16Å; V113-H117 VanDerWaalsContact O-N 3.11Å; F114-H117 PolarHBondContact O-N 2.72Å; Y115-H117 PolarHBondContact O-N 3.43Å; H117-I124 HydrophobicContact CB-CB 4.11Å; H117-I124 PolarHBondContact O-N 3.48Å; H117-N126 VanDerWaalsContact CB-OD1 3.28Å; H117-N126 WeakPolarHBondContact CB-OD1 3.47Å; H117-Y128 AromaticContact CE1-CE1 3.75Å |
| 118 | N | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.8 | -31.5 | -176.4 | -69 | -13.9 | 0 | 0 | 0 | 113.6 | F114 Y115 N126 | F114-N118 WeakPolarHBondContact O-CB 3.27Å; F114-N118 PolarHBondContact O-N 3.23Å; F114-N118 PolarHBondContact O-ND2 2.91Å; F114-N118 PolarHBondContact O-OD1 3.4Å; Y115-N118 PolarHBondContact O-N 3.43Å; N118-N126 PolarHBondContact OD1-ND2 3.03Å |
| 119 | Y | 97.7 | Very high | 97.8 | Very high | 134 Ų | 134 | 62.8 Ų | 62.8 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.3 | -177.6 | -71.9 | -64.3 | 0 | 0 | 0 | 114.4 | M57 Y115 | M57-Y119 HydrophobicContact CE-CD2 3.88Å; M57-Y119 HydrophobicContact CE-CE2 4.24Å; M57-Y119 HydrophobicContact SD-CD2 3.73Å; M57-Y119 HydrophobicContact SD-CE2 4.36Å; Y115-Y119 AromaticContact CD2-CE2 3.73Å; Y115-Y119 HydrophobicContact CD2-CE2 3.73Å; Y115-Y119 HydrophobicContact CE2-CE2 4.31Å; Y115-Y119 HydrophobicContact CG-CD2 4.38Å; Y115-Y119 AromaticContact CG-CE2 3.84Å; Y115-Y119 HydrophobicContact CG-CE2 3.84Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.11Å; Y115-Y119 PolarHBondContact O-N 2.9Å |
| 120 | V | 96.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -73.1 | 146.6 | 168.5 | 178.5 | 0 | 0 | 0 | 0 | 109 | P54 S116 P122 P123 I124 | P54-V120 HydrophobicContact CB-CG2 3.63Å; P54-V120 HydrophobicContact CG-CG2 3.94Å; S116-V120 VanDerWaalsContact O-CG2 3.26Å; S116-V120 WeakPolarHBondContact O-CG2 3.41Å; V120-P122 CarbonylContact C-O 3.57Å; V120-P122 WeakPolarHBondContact CG1-O 3.25Å; V120-P122 CarbonylContact O-C 3.07Å; V120-P123 WeakPolarHBondContact O-CA 3.48Å; V120-P123 WeakPolarHBondContact O-CD 3.3Å; V120-I124 HydrophobicContact CB-CD1 4.36Å; V120-I124 HydrophobicContact CB-CG1 4.17Å; V120-I124 HydrophobicContact CG1-CD1 4.35Å; V120-I124 HydrophobicContact CG1-CG1 4.15Å; V120-I124 HydrophobicContact CG2-CD1 4.03Å; V120-I124 HydrophobicContact CG2-CG1 4.36Å |
| 121 | V | 96 | Very high | 97.8 | Very high | 140 Ų | 140 | 68.5 Ų | 68.5 | 85% | 0.848 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -118.5 | 110.8 | 178.1 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 122 | P | 96.4 | Very high | 97.8 | Very high | 107 Ų | 107 | 65.6 Ų | 65.6 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | S | Bend | cis | -71.9 | 157.2 | -4.5 | 32.6 | -35.9 | 0 | 0 | 0 | 112.8 | V120 | V120-P122 CarbonylContact C-O 3.57Å; V120-P122 WeakPolarHBondContact CG1-O 3.25Å; V120-P122 CarbonylContact O-C 3.07Å |
| 123 | P | 97.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 141.4 | -179.1 | -27.2 | 35.7 | 0 | 0 | 0 | 113.3 | V120 | V120-P123 WeakPolarHBondContact O-CA 3.48Å; V120-P123 WeakPolarHBondContact O-CD 3.3Å |
| 124 | I | 97 | Very high | 97.8 | Very high | 58 Ų | 58 | 74.6 Ų | 74.6 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 130.1 | 172.8 | -59.2 | 174.2 | 0 | 0 | 0 | 107.7 | H117 V120 N126 Y128 | H117-I124 HydrophobicContact CB-CB 4.11Å; H117-I124 PolarHBondContact O-N 3.48Å; V120-I124 HydrophobicContact CB-CD1 4.36Å; V120-I124 HydrophobicContact CB-CG1 4.17Å; V120-I124 HydrophobicContact CG1-CD1 4.35Å; V120-I124 HydrophobicContact CG1-CG1 4.15Å; V120-I124 HydrophobicContact CG2-CD1 4.03Å; V120-I124 HydrophobicContact CG2-CG1 4.36Å; I124-N126 PolarHBondContact O-N 3Å; I124-Y128 HydrophobicContact CG2-CD1 4.01Å; I124-Y128 HydrophobicContact CG2-CE1 3.72Å |
| 125 | P | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 72.2 Ų | 72.2 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 127.8 | 174.3 | -26.2 | 35 | 0 | 0 | 0 | 111.3 | Y128 | P125-Y128 WeakPolarHBondContact O-CD1 3.31Š|
| 126 | N | 98.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 71 Ų | 71 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 153.4 | 173.5 | -69.7 | -66.4 | 0 | 0 | 0 | 110.9 | F114 H117 N118 I124 Y128 | F114-N126 HydrophobicContact CD1-CB 3.85Å; F114-N126 WeakPolarHBondContact CD1-OD1 3.47Å; F114-N126 HydrophobicContact CE1-CB 3.62Å; H117-N126 VanDerWaalsContact CB-OD1 3.28Å; H117-N126 WeakPolarHBondContact CB-OD1 3.47Å; N118-N126 PolarHBondContact OD1-ND2 3.03Å; I124-N126 PolarHBondContact O-N 3Å; N126-Y128 VanDerWaalsContact C-N 3.25Å; N126-Y128 PolarHBondContact O-N 3.04Å |
| 127 | L | 97.7 | Very high | 97.9 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32 | 176.8 | -55.3 | 175.5 | 0 | 0 | 0 | 114.9 | F114 S132 W133 L136 | F114-L127 HydrophobicContact CZ-CD2 4.28Å; F114-L127 HydrophobicContact CZ-CG 4.36Å; L127-S132 WeakPolarHBondContact CA-OG 3.2Å; L127-S132 PolarHBondContact O-OG 2.88Å; L127-W133 PolarHBondContact O-NE1 3.06Å; L127-L136 HydrophobicContact CD1-CD2 3.81Å; L127-L136 HydrophobicContact CD2-CD2 4.48Å |
| 128 | Y | 97.3 | Very high | 97.9 | Very high | 115 Ų | 115 | 74.4 Ų | 74.4 | 45% | 0.451 | 40% | 0.399 | S | S | . | . | trans | -82.4 | -16.1 | -176.4 | 80.3 | -86.9 | 0 | 0 | 0 | 114.4 | H117 I124 P125 N126 W195 | H117-Y128 AromaticContact CE1-CE1 3.75Å; I124-Y128 HydrophobicContact CG2-CD1 4.01Å; I124-Y128 HydrophobicContact CG2-CE1 3.72Å; P125-Y128 WeakPolarHBondContact O-CD1 3.31Å; N126-Y128 VanDerWaalsContact C-N 3.25Å; N126-Y128 PolarHBondContact O-N 3.04Å; Y128-W195 HydrophobicContact CE1-CH2 4.46Å; Y128-W195 AromaticContact CE2-CH2 3.77Å; Y128-W195 HydrophobicContact CE2-CH2 3.77Å; Y128-W195 HydrophobicContact CE2-CZ2 4.14Å; Y128-W195 AromaticContact CZ-CH2 3.5Å; Y128-W195 AromaticContact CZ-CZ3 3.88Å; Y128-W195 WeakPolarHBondContact OH-CH2 3.48Å; Y128-W195 WeakPolarHBondContact OH-CZ3 3.26Å | ||
| 129 | S | 98.1 | Very high | 97.9 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -106.4 | 156.4 | -175.5 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | H131 S132 W133 E191 | S129-H131 VanDerWaalsContact C-N 3.28Å; S129-H131 PolarHBondContact O-N 3.35Å; S129-S132 PolarHBondContact N-OG 2.94Å; S129-S132 PolarHBondContact O-N 3.39Å; S129-S132 VanDerWaalsContact O-N 3.12Å; S129-S132 PolarHBondContact O-OG 3.13Å; S129-S132 PolarHBondContact OG-N 2.95Å; S129-W133 PolarHBondContact O-N 2.87Å; S129-E191 VanDerWaalsContact CB-OE1 3.27Å; S129-E191 WeakPolarHBondContact CB-OE1 3.5Å; S129-E191 VanDerWaalsContact CB-OE2 3.23Å; S129-E191 WeakPolarHBondContact CB-OE2 3.18Å; S129-E191 PolarHBondContact OG-OE1 3.45Å; S129-E191 PolarHBondContact OG-OE2 2.89Å |
| 130 | L | 98.5 | Very high | 98 | Very high | 127 Ų | 127 | 69.5 Ų | 69.5 | 67% | 0.665 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60 | -39.4 | 177.2 | 179 | 62 | 0 | 0 | 0 | 112.1 | S132 W133 V134 | L130-S132 PolarHBondContact O-N 2.87Å; L130-W133 PolarHBondContact O-N 3.42Å; L130-V134 HydrophobicContact CD1-CG2 4.05Å; L130-V134 HydrophobicContact CG-CG2 4.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.72Å; L130-V134 VanDerWaalsContact O-N 3.08Å |
| 131 | H | 98.6 | Very high | 98.1 | Very high | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.148 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -51.4 | -43.6 | 175.2 | 167.4 | 66.9 | 0 | 0 | 0 | 111.4 | H61 S129 G135 S184 M187 G188 | H61-H131 AromaticContact NE2-NE2 3.89Å; S129-H131 VanDerWaalsContact C-N 3.28Å; S129-H131 PolarHBondContact O-N 3.35Å; H131-G135 PolarHBondContact O-N 3.14Å; H131-S184 PolarHBondContact CE1-O 3.48Å; H131-S184 PolarHBondContact ND1-O 3.24Å; H131-M187 HydrophobicContact CB-CB 4.18Å; H131-G188 WeakPolarHBondContact ND1-CA 3.33Å; H131-G188 PolarHBondContact ND1-N 2.95Å |
| 132 | S | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | -176.8 | 72.8 | 0 | 0 | 0 | 0 | 114 | L127 S129 L130 L136 | L127-S132 WeakPolarHBondContact CA-OG 3.2Å; L127-S132 PolarHBondContact O-OG 2.88Å; S129-S132 PolarHBondContact N-OG 2.94Å; S129-S132 PolarHBondContact O-N 3.39Å; S129-S132 VanDerWaalsContact O-N 3.12Å; S129-S132 PolarHBondContact O-OG 3.13Å; S129-S132 PolarHBondContact OG-N 2.95Å; L130-S132 PolarHBondContact O-N 2.87Å; S132-L136 WeakPolarHBondContact O-CB 3.29Å; S132-L136 PolarHBondContact O-N 3.26Å |
| 133 | W | 98.7 | Very high | 98.3 | Very high | 169 Ų | 169 | 59.3 Ų | 59.3 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.4 | -47.8 | 175.4 | -78.8 | 72.2 | 0 | 0 | 0 | 111.6 | L127 S129 L130 G135 L136 V137 | L127-W133 PolarHBondContact O-NE1 3.06Å; S129-W133 PolarHBondContact O-N 2.87Å; L130-W133 PolarHBondContact O-N 3.42Å; W133-G135 VanDerWaalsContact C-N 3.34Å; W133-G135 PolarHBondContact O-N 3.34Å; W133-L136 PolarHBondContact O-N 3.34Å; W133-V137 WeakPolarHBondContact O-CG2 3.43Å; W133-V137 PolarHBondContact O-N 2.96Å |
| 134 | V | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | L130 L136 V137 I138 M187 | L130-V134 HydrophobicContact CD1-CG2 4.05Å; L130-V134 HydrophobicContact CG-CG2 4.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.72Å; L130-V134 VanDerWaalsContact O-N 3.08Å; V134-L136 PolarHBondContact O-N 3.37Å; V134-V137 PolarHBondContact O-N 3.29Å; V134-I138 HydrophobicContact CG1-CD1 3.7Å; V134-I138 WeakPolarHBondContact O-CD1 3.48Å; V134-I138 VanDerWaalsContact O-CG1 3.27Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 3.48Å; V134-M187 HydrophobicContact CG1-CE 4.28Å; V134-M187 HydrophobicContact CG2-SD 4.49Å |
| 135 | G | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H131 W133 I138 V139 | H131-G135 PolarHBondContact O-N 3.14Å; W133-G135 VanDerWaalsContact C-N 3.34Å; W133-G135 PolarHBondContact O-N 3.34Å; G135-I138 PolarHBondContact O-N 3.33Å; G135-V139 PolarHBondContact O-N 3.46Å |
| 136 | L | 98.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 57.6 Ų | 57.6 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.7 | -176.6 | 60.3 | 0 | 0 | 0 | 112.2 | L127 S132 W133 V134 I138 V139 L140 | L127-L136 HydrophobicContact CD1-CD2 3.81Å; L127-L136 HydrophobicContact CD2-CD2 4.48Å; S132-L136 WeakPolarHBondContact O-CB 3.29Å; S132-L136 PolarHBondContact O-N 3.26Å; W133-L136 PolarHBondContact O-N 3.34Å; V134-L136 PolarHBondContact O-N 3.37Å; L136-I138 VanDerWaalsContact C-N 3.28Å; L136-I138 PolarHBondContact O-N 2.87Å; L136-V139 HydrophobicContact CD1-CG2 4.06Å; L136-V139 WeakPolarHBondContact O-CG2 3.31Å; L136-V139 PolarHBondContact O-N 2.58Å; L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.29Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.12Å |
| 137 | V | 98.7 | Very high | 98.3 | Very high | 95 Ų | 95 | 59.4 Ų | 59.4 | 58% | 0.576 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111 | W133 V134 L140 A141 | W133-V137 WeakPolarHBondContact O-CG2 3.43Å; W133-V137 PolarHBondContact O-N 2.96Å; V134-V137 PolarHBondContact O-N 3.29Å; V137-L140 PolarHBondContact O-N 2.97Å; V137-A141 VanDerWaalsContact O-CB 3.28Å; V137-A141 WeakPolarHBondContact O-CB 3.38Å; V137-A141 PolarHBondContact O-N 2.86Å |
| 138 | I | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 179.8 | -68 | 160.6 | 0 | 0 | 0 | 111.5 | M69 V134 G135 L136 L140 A141 F142 L177 A180 | M69-I138 HydrophobicContact CE-CG2 3.64Å; V134-I138 HydrophobicContact CG1-CD1 3.7Å; V134-I138 WeakPolarHBondContact O-CD1 3.48Å; V134-I138 VanDerWaalsContact O-CG1 3.27Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 3.48Å; G135-I138 PolarHBondContact O-N 3.33Å; L136-I138 VanDerWaalsContact C-N 3.28Å; L136-I138 PolarHBondContact O-N 2.87Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 3.19Å; I138-A141 PolarHBondContact O-N 3.48Å; I138-F142 WeakPolarHBondContact O-CB 3.47Å; I138-F142 PolarHBondContact O-N 3.21Å; I138-L177 HydrophobicContact CG2-CD2 4.13Å; I138-A180 HydrophobicContact CD1-CB 3.94Å; I138-A180 VanDerWaalsContact CD1-O 3.27Å; I138-A180 WeakPolarHBondContact CD1-O 3.38Å; I138-A180 HydrophobicContact CG1-CB 3.99Å |
| 139 | V | 98.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | F106 L110 G135 L136 F142 C143 | F106-V139 HydrophobicContact CD2-CB 4.45Å; F106-V139 HydrophobicContact CD2-CG1 4.26Å; F106-V139 HydrophobicContact CE2-CB 4.38Å; F106-V139 HydrophobicContact CG-CG1 4.22Å; L110-V139 HydrophobicContact CD1-CG2 4.27Å; G135-V139 PolarHBondContact O-N 3.46Å; L136-V139 HydrophobicContact CD1-CG2 4.06Å; L136-V139 WeakPolarHBondContact O-CG2 3.31Å; L136-V139 PolarHBondContact O-N 2.58Å; V139-F142 PolarHBondContact O-N 3.35Å; V139-C143 PolarHBondContact O-N 3.22Å; V139-C143 PolarHBondContact O-SG 3.44Å |
| 140 | L | 98.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 52% | 0.518 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 173.8 | -69.5 | 174.3 | 0 | 0 | 0 | 111.4 | L136 V137 I138 F142 C143 L144 | L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.29Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.12Å; V137-L140 PolarHBondContact O-N 2.97Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 3.19Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.08Å; L140-C143 PolarHBondContact O-N 3.24Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.49Å |
| 141 | A | 98.7 | Very high | 97.6 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V137 I138 L144 Q145 L177 | V137-A141 VanDerWaalsContact O-CB 3.28Å; V137-A141 WeakPolarHBondContact O-CB 3.38Å; V137-A141 PolarHBondContact O-N 2.86Å; I138-A141 PolarHBondContact O-N 3.48Å; A141-L144 PolarHBondContact O-N 2.83Å; A141-Q145 VanDerWaalsContact O-CB 3.26Å; A141-Q145 WeakPolarHBondContact O-CB 3.5Å; A141-Q145 PolarHBondContact O-N 3.45Å; A141-L177 HydrophobicContact CB-CD2 3.86Å |
| 142 | F | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 172 | -179.7 | -80 | 0 | 0 | 0 | 111.5 | M69 M73 H99 T102 F103 F106 I138 V139 L140 L144 Q145 Y146 L177 | M69-F142 HydrophobicContact CE-CB 4.37Å; M69-F142 HydrophobicContact CE-CD2 4.24Å; M69-F142 HydrophobicContact CE-CG 4.49Å; M69-F142 HydrophobicContact SD-CD2 4.2Å; M69-F142 HydrophobicContact SD-CG 4.5Å; M73-F142 HydrophobicContact CG-CE2 4.48Å; M73-F142 HydrophobicContact SD-CD2 3.85Å; M73-F142 HydrophobicContact SD-CE2 3.91Å; H99-F142 HydrophobicContact CB-CZ 4.01Å; H99-F142 AromaticContact ND1-CE2 3.53Å; H99-F142 AromaticContact ND1-CZ 3.63Å; T102-F142 HydrophobicContact CG2-CE2 3.86Å; T102-F142 HydrophobicContact CG2-CZ 3.77Å; F103-F142 HydrophobicContact CB-CE1 4.41Å; F106-F142 AromaticContact CE1-CD1 3.61Å; F106-F142 HydrophobicContact CE1-CD1 3.61Å; F106-F142 AromaticContact CE1-CE1 3.85Å; F106-F142 HydrophobicContact CE1-CE1 3.85Å; F106-F142 HydrophobicContact CE1-CG 4.26Å; F106-F142 HydrophobicContact CZ-CD1 4.12Å; I138-F142 WeakPolarHBondContact O-CB 3.47Å; I138-F142 PolarHBondContact O-N 3.21Å; V139-F142 PolarHBondContact O-N 3.35Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.08Å; F142-L144 PolarHBondContact O-N 3.27Å; F142-Q145 WeakPolarHBondContact O-CB 3.49Å; F142-Q145 PolarHBondContact O-N 2.86Å; F142-Y146 HydrophobicContact CE1-CD2 4.45Å; F142-Y146 WeakPolarHBondContact O-CB 3.14Å; F142-Y146 PolarHBondContact O-N 2.93Å; F142-L177 HydrophobicContact CB-CD1 4.44Å |
| 143 | C | 98.6 | Very high | 97 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.4 | -72.7 | 0 | 0 | 0 | 0 | 112 | V139 L140 Y146 V147 | V139-C143 PolarHBondContact O-N 3.22Å; V139-C143 PolarHBondContact O-SG 3.44Å; L140-C143 PolarHBondContact O-N 3.24Å; C143-Y146 PolarHBondContact O-N 3.4Å; C143-V147 WeakPolarHBondContact O-CG2 3.45Å; C143-V147 PolarHBondContact O-N 2.9Å |
| 144 | L | 98.3 | Very high | 96.4 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 176.1 | -70.1 | 173.1 | 0 | 0 | 0 | 111 | L140 A141 F142 Y146 V147 F148 | L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.49Å; A141-L144 PolarHBondContact O-N 2.83Å; F142-L144 PolarHBondContact O-N 3.27Å; L144-Y146 VanDerWaalsContact C-N 3.29Å; L144-Y146 PolarHBondContact O-N 3.17Å; L144-V147 PolarHBondContact O-N 3.42Å; L144-F148 HydrophobicContact CB-CD2 4.19Å; L144-F148 HydrophobicContact CB-CE2 4.18Å; L144-F148 HydrophobicContact CD2-CE2 3.99Å; L144-F148 WeakPolarHBondContact O-CB 3.2Å; L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 3.43Å |
| 145 | Q | 97.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 175.9 | 179.4 | 75.5 | -11.9 | 0 | 0 | 111.1 | A141 F142 S149 H170 I173 L177 | A141-Q145 VanDerWaalsContact O-CB 3.26Å; A141-Q145 WeakPolarHBondContact O-CB 3.5Å; A141-Q145 PolarHBondContact O-N 3.45Å; F142-Q145 WeakPolarHBondContact O-CB 3.49Å; F142-Q145 PolarHBondContact O-N 2.86Å; Q145-S149 WeakPolarHBondContact O-CB 3.36Å; Q145-S149 PolarHBondContact O-N 3.25Å; Q145-S149 PolarHBondContact O-OG 3.13Å; Q145-H170 PolarHBondContact NE2-ND1 3.22Å; Q145-H170 VanDerWaalsContact NE2-ND1 3.16Å; Q145-H170 PolarHBondContact NE2-O 3.32Å; Q145-I173 HydrophobicContact CB-CG2 4.29Å; Q145-I173 VanDerWaalsContact CD-CG2 3.48Å; Q145-I173 HydrophobicContact CG-CG2 4.1Å; Q145-L177 HydrophobicContact CB-CD1 4.19Å; Q145-L177 HydrophobicContact CG-CD1 4.26Å |
| 146 | Y | 97.4 | Very high | 95 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 178.9 | -173.5 | -83.6 | 0 | 0 | 0 | 111.4 | I96 H99 S100 F142 C143 L144 S149 F150 | I96-Y146 HydrophobicContact CG2-CE2 4.46Å; H99-Y146 HydrophobicContact CB-CD2 3.98Å; H99-Y146 HydrophobicContact CB-CE2 3.92Å; S100-Y146 PolarHBondContact OG-OH 2.89Å; F142-Y146 HydrophobicContact CE1-CD2 4.45Å; F142-Y146 WeakPolarHBondContact O-CB 3.14Å; F142-Y146 PolarHBondContact O-N 2.93Å; C143-Y146 PolarHBondContact O-N 3.4Å; L144-Y146 VanDerWaalsContact C-N 3.29Å; L144-Y146 PolarHBondContact O-N 3.17Å; Y146-S149 PolarHBondContact O-N 2.82Å; Y146-F150 WeakPolarHBondContact O-CB 3.28Å; Y146-F150 PolarHBondContact O-N 3.03Å |
| 147 | V | 96.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 70.3 Ų | 70.3 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.6 | -48.8 | -178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | C143 L144 S149 F150 Y151 | C143-V147 WeakPolarHBondContact O-CG2 3.45Å; C143-V147 PolarHBondContact O-N 2.9Å; L144-V147 PolarHBondContact O-N 3.42Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.93Å; V147-F150 PolarHBondContact O-N 3.47Å; V147-Y151 PolarHBondContact O-N 2.84Å |
| 148 | F | 95.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 66.9 Ų | 66.9 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.4 | -35 | 179.9 | -73.7 | -59.1 | 0 | 0 | 0 | 112.6 | L144 Y151 S152 | L144-F148 HydrophobicContact CB-CD2 4.19Å; L144-F148 HydrophobicContact CB-CE2 4.18Å; L144-F148 HydrophobicContact CD2-CE2 3.99Å; L144-F148 WeakPolarHBondContact O-CB 3.2Å; L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 3.43Å; F148-Y151 PolarHBondContact O-N 2.96Å; F148-S152 VanDerWaalsContact O-CB 3.29Å; F148-S152 WeakPolarHBondContact O-CB 3.23Å; F148-S152 PolarHBondContact O-N 3.09Å; F148-S152 PolarHBondContact O-OG 3.29Å |
| 149 | S | 95.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 71 Ų | 71 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | Q145 Y146 V147 Y151 S152 F153 H170 | Q145-S149 WeakPolarHBondContact O-CB 3.36Å; Q145-S149 PolarHBondContact O-N 3.25Å; Q145-S149 PolarHBondContact O-OG 3.13Å; Y146-S149 PolarHBondContact O-N 2.82Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.93Å; S149-Y151 VanDerWaalsContact C-N 3.33Å; S149-Y151 PolarHBondContact O-N 3.44Å; S149-S152 PolarHBondContact O-N 3.04Å; S149-F153 WeakPolarHBondContact O-CB 3.17Å; S149-F153 WeakPolarHBondContact O-CD2 3.24Å; S149-F153 PolarHBondContact O-N 3.3Å; S149-H170 PolarHBondContact OG-CE1 2.95Å; S149-H170 VanDerWaalsContact OG-CE1 3.3Å; S149-H170 PolarHBondContact OG-ND1 3.14Å |
| 150 | F | 93.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 44% | 0.443 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.1 | -167.6 | -88.3 | 0 | 0 | 0 | 110.9 | Y146 V147 F154 Y155 | Y146-F150 WeakPolarHBondContact O-CB 3.28Å; Y146-F150 PolarHBondContact O-N 3.03Å; V147-F150 PolarHBondContact O-N 3.47Å; F150-F154 HydrophobicContact CD2-CB 4.3Å; F150-F154 HydrophobicContact CE1-CB 4.47Å; F150-F154 HydrophobicContact CE2-CB 4.25Å; F150-F154 HydrophobicContact CE2-CG 4.46Å; F150-F154 HydrophobicContact CG-CB 4.43Å; F150-F154 HydrophobicContact CZ-CB 4.34Å; F150-F154 WeakPolarHBondContact O-CA 3.05Å; F150-F154 VanDerWaalsContact O-CB 3.26Å; F150-F154 WeakPolarHBondContact O-CB 3.46Å; F150-F154 PolarHBondContact O-N 3.43Å; F150-Y155 PolarHBondContact O-N 2.9Å |
| 151 | Y | 93.1 | Very high | 92.1 | Very high | 126 Ų | 126 | 72.3 Ų | 72.3 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 174.4 | 179.8 | -102 | 0 | 0 | 0 | 112.1 | V147 F148 S149 F153 Y155 V158 L162 | V147-Y151 PolarHBondContact O-N 2.84Å; F148-Y151 PolarHBondContact O-N 2.96Å; S149-Y151 VanDerWaalsContact C-N 3.33Å; S149-Y151 PolarHBondContact O-N 3.44Å; Y151-F153 PolarHBondContact O-N 2.79Å; Y151-Y155 HydrophobicContact CD2-CD1 4.24Å; Y151-Y155 HydrophobicContact CD2-CG 4.42Å; Y151-Y155 AromaticContact CE2-CD1 3.95Å; Y151-Y155 HydrophobicContact CE2-CD1 3.95Å; Y151-Y155 WeakPolarHBondContact O-CB 3.21Å; Y151-Y155 PolarHBondContact O-N 3.37Å; Y151-V158 HydrophobicContact CD1-CG2 4.39Å; Y151-V158 HydrophobicContact CD2-CG2 4.32Å; Y151-V158 HydrophobicContact CE1-CG2 4.01Å; Y151-V158 HydrophobicContact CE2-CG2 3.93Å; Y151-V158 WeakPolarHBondContact O-CG2 3.34Å; Y151-L162 HydrophobicContact CD1-CD2 4.42Å; Y151-L162 HydrophobicContact CE1-CD2 4.03Å |
| 152 | S | 93 | Very high | 91.7 | Very high | 14 Ų | 14 | 72.8 Ų | 72.8 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.9 | -29.1 | -171.8 | -54.3 | 0 | 0 | 0 | 0 | 114.2 | F148 S149 | F148-S152 VanDerWaalsContact O-CB 3.29Å; F148-S152 WeakPolarHBondContact O-CB 3.23Å; F148-S152 PolarHBondContact O-N 3.09Å; F148-S152 PolarHBondContact O-OG 3.29Å; S149-S152 PolarHBondContact O-N 3.04Å |
| 153 | F | 90.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 72.9 Ų | 72.9 | 21% | 0.211 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -112 | -20.5 | -173.4 | -56.9 | -60.1 | 0 | 0 | 0 | 114.3 | K92 S149 Y151 G163 V166 M167 H170 | K92-F153 PolarHBondContact NZ-O 3.41Å; S149-F153 WeakPolarHBondContact O-CB 3.17Å; S149-F153 WeakPolarHBondContact O-CD2 3.24Å; S149-F153 PolarHBondContact O-N 3.3Å; Y151-F153 PolarHBondContact O-N 2.79Å; F153-G163 WeakPolarHBondContact CE1-O 3.46Å; F153-V166 HydrophobicContact CZ-CG1 4.21Å; F153-M167 HydrophobicContact CD1-CE 4.25Å; F153-M167 HydrophobicContact CE1-CB 4.46Å; F153-M167 HydrophobicContact CE1-CE 3.61Å; F153-M167 HydrophobicContact CZ-CE 3.96Å; F153-M167 HydrophobicContact CZ-SD 4.42Å; F153-H170 HydrophobicContact CE2-CB 4.1Å; F153-H170 AromaticContact CE2-CG 3.79Å; F153-H170 AromaticContact CE2-ND1 3.77Å; F153-H170 HydrophobicContact CZ-CB 4.06Å |
| 154 | F | 86 | Confident | 90.9 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -119 | -26.3 | -173.2 | -91 | -84.7 | 0 | 0 | 0 | 115 | K92 I96 F150 P156 | K92-F154 HydrophobicContact CB-CZ 4.23Å; K92-F154 HydrophobicContact CD-CD2 4.4Å; K92-F154 HydrophobicContact CD-CE1 4.01Å; K92-F154 HydrophobicContact CD-CE2 3.42Å; K92-F154 VanDerWaalsContact CD-CE2 3.42Å; K92-F154 HydrophobicContact CD-CZ 3.18Å; K92-F154 HydrophobicContact CG-CE1 4.49Å; K92-F154 HydrophobicContact CG-CE2 3.45Å; K92-F154 VanDerWaalsContact CG-CE2 3.45Å; K92-F154 HydrophobicContact CG-CZ 3.33Å; I96-F154 HydrophobicContact CD1-CD1 4.49Å; I96-F154 HydrophobicContact CD1-CD2 3.85Å; I96-F154 HydrophobicContact CD1-CE1 3.85Å; I96-F154 HydrophobicContact CD1-CE2 3.06Å; I96-F154 HydrophobicContact CD1-CG 4.48Å; I96-F154 HydrophobicContact CD1-CZ 3.06Å; I96-F154 HydrophobicContact CG1-CE2 3.82Å; I96-F154 HydrophobicContact CG1-CZ 4.18Å; F150-F154 HydrophobicContact CD2-CB 4.3Å; F150-F154 HydrophobicContact CE1-CB 4.47Å; F150-F154 HydrophobicContact CE2-CB 4.25Å; F150-F154 HydrophobicContact CE2-CG 4.46Å; F150-F154 HydrophobicContact CG-CB 4.43Å; F150-F154 HydrophobicContact CZ-CB 4.34Å; F150-F154 WeakPolarHBondContact O-CA 3.05Å; F150-F154 VanDerWaalsContact O-CB 3.26Å; F150-F154 WeakPolarHBondContact O-CB 3.46Å; F150-F154 PolarHBondContact O-N 3.43Å; F154-P156 WeakPolarHBondContact O-CD 3.47Å |
| 155 | Y | 84.7 | Confident | 90.6 | Very high | 102 Ų | 102 | 79.1 Ų | 79.1 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | trans | -70 | 117.2 | -177.1 | -169.1 | -119.8 | 0 | 0 | 0 | 110.1 | F150 Y151 K157 V158 | F150-Y155 PolarHBondContact O-N 2.9Å; Y151-Y155 HydrophobicContact CD2-CD1 4.24Å; Y151-Y155 HydrophobicContact CD2-CG 4.42Å; Y151-Y155 AromaticContact CE2-CD1 3.95Å; Y151-Y155 HydrophobicContact CE2-CD1 3.95Å; Y151-Y155 WeakPolarHBondContact O-CB 3.21Å; Y151-Y155 PolarHBondContact O-N 3.37Å; Y155-K157 HydrophobicContact CD1-CB 4.05Å; Y155-K157 HydrophobicContact CE1-CB 3.67Å; Y155-K157 HydrophobicContact CE1-CD 4.04Å; Y155-K157 HydrophobicContact CE1-CG 4.02Å; Y155-K157 PolarHBondContact O-N 3.11Å; Y155-V158 HydrophobicContact CD1-CG2 3.8Å; Y155-V158 HydrophobicContact CG-CG2 4.34Å; Y155-V158 WeakPolarHBondContact O-CB 3.27Å; Y155-V158 PolarHBondContact O-N 3.13Å | ||
| 156 | P | 82.8 | Confident | 90.5 | Very high | 119 Ų | 119 | 79.6 Ų | 79.6 | 77% | 0.773 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.2 | -166.7 | 25.8 | -35.5 | 0 | 0 | 0 | 114.2 | F154 | F154-P156 WeakPolarHBondContact O-CD 3.47Š|
| 157 | K | 87.4 | Confident | 90.3 | Very high | 167 Ų | 167 | 79.5 Ų | 79.5 | 73% | 0.726 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.3 | 178.3 | -56 | -173.9 | -178.7 | 177.4 | 0 | 113.3 | Y155 | Y155-K157 HydrophobicContact CD1-CB 4.05Å; Y155-K157 HydrophobicContact CE1-CB 3.67Å; Y155-K157 HydrophobicContact CE1-CD 4.04Å; Y155-K157 HydrophobicContact CE1-CG 4.02Å; Y155-K157 PolarHBondContact O-N 3.11Å |
| 158 | V | 85.4 | Confident | 90.3 | Very high | 23 Ų | 23 | 78.5 Ų | 78.5 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -83.2 | 135.2 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | Y151 Y155 P160 L162 | Y151-V158 HydrophobicContact CD1-CG2 4.39Å; Y151-V158 HydrophobicContact CD2-CG2 4.32Å; Y151-V158 HydrophobicContact CE1-CG2 4.01Å; Y151-V158 HydrophobicContact CE2-CG2 3.93Å; Y151-V158 WeakPolarHBondContact O-CG2 3.34Å; Y155-V158 HydrophobicContact CD1-CG2 3.8Å; Y155-V158 HydrophobicContact CG-CG2 4.34Å; Y155-V158 WeakPolarHBondContact O-CB 3.27Å; Y155-V158 PolarHBondContact O-N 3.13Å; V158-P160 WeakPolarHBondContact O-CD 3.31Å; V158-L162 HydrophobicContact CG1-CB 3.79Å; V158-L162 HydrophobicContact CG1-CD2 3.54Å; V158-L162 HydrophobicContact CG1-CG 4.21Å |
| 159 | D | 86.3 | Confident | 90.3 | Very high | 96 Ų | 96 | 77.2 Ų | 77.2 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | trans | -56.6 | 123.9 | 170.7 | 175.8 | 0.7 | 0 | 0 | 0 | 110 | S161 L162 | D159-S161 PolarHBondContact O-N 3.14Å; D159-S161 WeakPolarHBondContact OD1-CB 3.28Å; D159-S161 PolarHBondContact OD1-N 3.34Å; D159-S161 PolarHBondContact OD1-OG 3.3Å; D159-S161 WeakPolarHBondContact OD2-CB 3.2Å; D159-S161 PolarHBondContact OD2-OG 3.36Å; D159-L162 WeakPolarHBondContact O-CB 3.22Å; D159-L162 PolarHBondContact O-N 3.46Å | ||
| 160 | P | 84.5 | Confident | 90.4 | Very high | 104 Ų | 104 | 78.1 Ų | 78.1 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -49.1 | -29.2 | 175.1 | -28.9 | 35.9 | 0 | 0 | 0 | 114.6 | V158 L162 G163 E164 | V158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-L162 PolarHBondContact O-N 3.16Å; P160-G163 PolarHBondContact O-N 2.94Å; P160-G163 VanDerWaalsContact O-N 3.17Å; P160-E164 PolarHBondContact O-N 3.43Å |
| 161 | S | 89.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 78.4 Ų | 78.4 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -25.8 | 176.5 | 84.8 | 0 | 0 | 0 | 0 | 113.7 | D159 R165 | D159-S161 PolarHBondContact O-N 3.14Å; D159-S161 WeakPolarHBondContact OD1-CB 3.28Å; D159-S161 PolarHBondContact OD1-N 3.34Å; D159-S161 PolarHBondContact OD1-OG 3.3Å; D159-S161 WeakPolarHBondContact OD2-CB 3.2Å; D159-S161 PolarHBondContact OD2-OG 3.36Å; S161-R165 WeakPolarHBondContact O-CG 3.36Å; S161-R165 PolarHBondContact O-N 3.47Å; S161-R165 PolarHBondContact O-NE 2.8Å; S161-R165 VanDerWaalsContact O-NE 3.1Å; S161-R165 PolarHBondContact OG-NH2 3.42Å |
| 162 | L | 90.7 | Very high | 90.8 | Very high | 45 Ų | 45 | 77.6 Ų | 77.6 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 175.8 | -178.4 | 62.8 | 0 | 0 | 0 | 110.2 | Y151 V158 D159 P160 E164 R165 V166 | Y151-L162 HydrophobicContact CD1-CD2 4.42Å; Y151-L162 HydrophobicContact CE1-CD2 4.03Å; V158-L162 HydrophobicContact CG1-CB 3.79Å; V158-L162 HydrophobicContact CG1-CD2 3.54Å; V158-L162 HydrophobicContact CG1-CG 4.21Å; D159-L162 WeakPolarHBondContact O-CB 3.22Å; D159-L162 PolarHBondContact O-N 3.46Å; P160-L162 PolarHBondContact O-N 3.16Å; L162-E164 VanDerWaalsContact C-N 3.32Å; L162-E164 PolarHBondContact O-N 3.23Å; L162-R165 PolarHBondContact O-N 2.87Å; L162-V166 HydrophobicContact CD1-CG2 3.86Å; L162-V166 HydrophobicContact CG-CG2 4.17Å; L162-V166 WeakPolarHBondContact O-CB 3.36Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.47Å |
| 163 | G | 90 | Very high | 91 | Very high | 9 Ų | 9 | 79.9 Ų | 79.9 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F153 P160 R165 V166 M167 | F153-G163 WeakPolarHBondContact CE1-O 3.46Å; P160-G163 PolarHBondContact O-N 2.94Å; P160-G163 VanDerWaalsContact O-N 3.17Å; G163-R165 VanDerWaalsContact C-N 3.34Å; G163-R165 PolarHBondContact O-N 3.44Å; G163-V166 PolarHBondContact O-N 2.99Å; G163-M167 VanDerWaalsContact O-CB 3.3Å; G163-M167 WeakPolarHBondContact O-CB 3.34Å; G163-M167 PolarHBondContact O-N 3.28Å |
| 164 | E | 89.2 | Confident | 91.4 | Very high | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 176 | -65.6 | -178.4 | 167.8 | 0 | 0 | 112.3 | P160 L162 R245 | P160-E164 PolarHBondContact O-N 3.43Å; L162-E164 VanDerWaalsContact C-N 3.32Å; L162-E164 PolarHBondContact O-N 3.23Å; E164-R245 IonicContact OE1-NH1 3.5Å; E164-R245 PolarHBondContact OE1-NH1 3.42Å; E164-R245 IonicContact OE2-NH1 2.78Å; E164-R245 PolarHBondContact OE2-NH1 3.3Å |
| 165 | R | 93.3 | Very high | 92 | Very high | 161 Ų | 161 | 79 Ų | 79 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 179.5 | -73.7 | 179.8 | -74.2 | 171.7 | -6.1 | 113.4 | S161 L162 G163 P168 | S161-R165 WeakPolarHBondContact O-CG 3.36Å; S161-R165 PolarHBondContact O-N 3.47Å; S161-R165 PolarHBondContact O-NE 2.8Å; S161-R165 VanDerWaalsContact O-NE 3.1Å; S161-R165 PolarHBondContact OG-NH2 3.42Å; L162-R165 PolarHBondContact O-N 2.87Å; G163-R165 VanDerWaalsContact C-N 3.34Å; G163-R165 PolarHBondContact O-N 3.44Å; R165-P168 WeakPolarHBondContact O-CD 3.48Å |
| 166 | V | 94.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 76.8 Ų | 76.8 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -80.9 | -25.1 | -177.6 | 172.4 | 0 | 0 | 0 | 0 | 112 | F153 L162 G163 P168 I169 H170 | F153-V166 HydrophobicContact CZ-CG1 4.21Å; L162-V166 HydrophobicContact CD1-CG2 3.86Å; L162-V166 HydrophobicContact CG-CG2 4.17Å; L162-V166 WeakPolarHBondContact O-CB 3.36Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.47Å; G163-V166 PolarHBondContact O-N 2.99Å; V166-P168 VanDerWaalsContact C-CD 3.49Å; V166-I169 PolarHBondContact O-N 3.17Å; V166-H170 HydrophobicContact CG1-CB 4.48Å; V166-H170 PolarHBondContact O-N 3.38Å |
| 167 | M | 94.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 71.7 Ų | 71.7 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -51.7 | -42.9 | -175.1 | -178.1 | 60 | 71.5 | 0 | 0 | 115.4 | F153 G163 R171 | F153-M167 HydrophobicContact CD1-CE 4.25Å; F153-M167 HydrophobicContact CE1-CB 4.46Å; F153-M167 HydrophobicContact CE1-CE 3.61Å; F153-M167 HydrophobicContact CZ-CE 3.96Å; F153-M167 HydrophobicContact CZ-SD 4.42Å; G163-M167 VanDerWaalsContact O-CB 3.3Å; G163-M167 WeakPolarHBondContact O-CB 3.34Å; G163-M167 PolarHBondContact O-N 3.28Å; M167-R171 WeakPolarHBondContact O-CG 3.36Å; M167-R171 PolarHBondContact O-N 2.86Å; M167-R171 VanDerWaalsContact O-N 3.14Å; M167-R171 PolarHBondContact O-NE 3.38Å; M167-R171 HydrophobicContact SD-CG 4.25Å |
| 168 | P | 95.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.9 | -21.1 | 34.3 | 0 | 0 | 0 | 112.6 | R165 V166 R171 L172 | R165-P168 WeakPolarHBondContact O-CD 3.48Å; V166-P168 VanDerWaalsContact C-CD 3.49Å; P168-R171 PolarHBondContact O-N 3.02Å; P168-L172 PolarHBondContact O-N 3.48Å |
| 169 | I | 96.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 66.1 Ų | 66.1 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 178.9 | -62.6 | 170 | 0 | 0 | 0 | 110 | V166 R171 L172 I173 | V166-I169 PolarHBondContact O-N 3.17Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 2.87Å; I169-L172 PolarHBondContact O-N 3.23Å; I169-L172 VanDerWaalsContact O-N 3.15Å; I169-I173 HydrophobicContact CG2-CD1 3.62Å; I169-I173 HydrophobicContact CG2-CG1 4.18Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 3.48Å |
| 170 | H | 97.2 | Very high | 95.1 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.3 | -48.3 | 175.6 | 172.4 | 84 | 0 | 0 | 0 | 111.6 | Q145 S149 F153 V166 L172 G174 | Q145-H170 PolarHBondContact NE2-ND1 3.22Å; Q145-H170 VanDerWaalsContact NE2-ND1 3.16Å; Q145-H170 PolarHBondContact NE2-O 3.32Å; S149-H170 PolarHBondContact OG-CE1 2.95Å; S149-H170 VanDerWaalsContact OG-CE1 3.3Å; S149-H170 PolarHBondContact OG-ND1 3.14Å; F153-H170 HydrophobicContact CE2-CB 4.1Å; F153-H170 AromaticContact CE2-CG 3.79Å; F153-H170 AromaticContact CE2-ND1 3.77Å; F153-H170 HydrophobicContact CZ-CB 4.06Å; V166-H170 HydrophobicContact CG1-CB 4.48Å; V166-H170 PolarHBondContact O-N 3.38Å; H170-L172 PolarHBondContact O-N 3.01Å; H170-G174 PolarHBondContact O-N 2.86Å |
| 171 | R | 97.1 | Very high | 95.8 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 177.9 | -72.2 | 180 | -74.6 | 166.1 | -5.7 | 112.8 | M167 P168 I169 K175 | M167-R171 WeakPolarHBondContact O-CG 3.36Å; M167-R171 PolarHBondContact O-N 2.86Å; M167-R171 VanDerWaalsContact O-N 3.14Å; M167-R171 PolarHBondContact O-NE 3.38Å; M167-R171 HydrophobicContact SD-CG 4.25Å; P168-R171 PolarHBondContact O-N 3.02Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 2.87Å; R171-K175 WeakPolarHBondContact O-CG 3.26Å; R171-K175 PolarHBondContact O-N 3.38Å |
| 172 | L | 97.8 | Very high | 96.3 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 58% | 0.576 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.4 | -50 | 177.2 | 179 | 61.1 | 0 | 0 | 0 | 111.4 | P168 I169 H170 G174 K175 A176 | P168-L172 PolarHBondContact O-N 3.48Å; I169-L172 PolarHBondContact O-N 3.23Å; I169-L172 VanDerWaalsContact O-N 3.15Å; H170-L172 PolarHBondContact O-N 3.01Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.48Å; L172-K175 PolarHBondContact O-N 3Å; L172-A176 PolarHBondContact O-N 2.94Å |
| 173 | I | 98.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.5 | -65.8 | 172.2 | 0 | 0 | 0 | 110.5 | Q145 I169 K175 A176 L177 | Q145-I173 HydrophobicContact CB-CG2 4.29Å; Q145-I173 VanDerWaalsContact CD-CG2 3.48Å; Q145-I173 HydrophobicContact CG-CG2 4.1Å; I169-I173 HydrophobicContact CG2-CD1 3.62Å; I169-I173 HydrophobicContact CG2-CG1 4.18Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 3.48Å; I173-K175 PolarHBondContact O-N 3.34Å; I173-A176 PolarHBondContact O-N 2.91Å; I173-L177 HydrophobicContact CG2-CD1 3.9Å; I173-L177 HydrophobicContact CG2-CG 4.16Å; I173-L177 WeakPolarHBondContact O-CB 3.48Å; I173-L177 WeakPolarHBondContact O-CG 3.26Å; I173-L177 PolarHBondContact O-N 3.31Å |
| 174 | G | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H170 L172 L177 L178 | H170-G174 PolarHBondContact O-N 2.86Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.48Å; G174-L177 PolarHBondContact O-N 3.21Å; G174-L178 PolarHBondContact O-N 2.81Å; G174-L178 VanDerWaalsContact O-N 3.17Å |
| 175 | K | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 32% | 0.317 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.4 | -70.6 | -176 | -64.4 | 178.5 | 0 | 112.2 | R171 L172 I173 L178 V179 L225 V228 S229 | R171-K175 WeakPolarHBondContact O-CG 3.26Å; R171-K175 PolarHBondContact O-N 3.38Å; L172-K175 PolarHBondContact O-N 3Å; I173-K175 PolarHBondContact O-N 3.34Å; K175-L178 PolarHBondContact O-N 3.15Å; K175-V179 WeakPolarHBondContact O-CG2 3.33Å; K175-V179 PolarHBondContact O-N 3.1Å; K175-L225 HydrophobicContact CB-CD1 3.98Å; K175-L225 HydrophobicContact CD-CD1 4.06Å; K175-L225 HydrophobicContact CG-CD1 4Å; K175-V228 HydrophobicContact CD-CG2 4.26Å; K175-V228 HydrophobicContact CG-CG2 4.11Å; K175-S229 WeakPolarHBondContact CD-OG 3.32Å |
| 176 | A | 98.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L172 I173 L178 V179 A180 | L172-A176 PolarHBondContact O-N 2.94Å; I173-A176 PolarHBondContact O-N 2.91Å; A176-L178 PolarHBondContact O-N 3.48Å; A176-V179 PolarHBondContact O-N 2.99Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.45Å; A176-A180 PolarHBondContact O-N 3.47Å |
| 177 | L | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.5 | -78.3 | 172.1 | 0 | 0 | 0 | 112.1 | M73 I138 A141 F142 Q145 I173 G174 S181 | M73-L177 HydrophobicContact SD-CB 4.47Å; I138-L177 HydrophobicContact CG2-CD2 4.13Å; A141-L177 HydrophobicContact CB-CD2 3.86Å; F142-L177 HydrophobicContact CB-CD1 4.44Å; Q145-L177 HydrophobicContact CB-CD1 4.19Å; Q145-L177 HydrophobicContact CG-CD1 4.26Å; I173-L177 HydrophobicContact CG2-CD1 3.9Å; I173-L177 HydrophobicContact CG2-CG 4.16Å; I173-L177 WeakPolarHBondContact O-CB 3.48Å; I173-L177 WeakPolarHBondContact O-CG 3.26Å; I173-L177 PolarHBondContact O-N 3.31Å; G174-L177 PolarHBondContact O-N 3.21Å; L177-S181 WeakPolarHBondContact O-CB 3.32Å; L177-S181 PolarHBondContact O-N 3.15Å |
| 178 | L | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -53.4 | 174.8 | 180 | 64.4 | 0 | 0 | 0 | 110.9 | M73 G174 K175 A176 A180 S181 T182 V224 | M73-L178 HydrophobicContact CE-CB 4.47Å; M73-L178 HydrophobicContact CE-CD1 4.38Å; G174-L178 PolarHBondContact O-N 2.81Å; G174-L178 VanDerWaalsContact O-N 3.17Å; K175-L178 PolarHBondContact O-N 3.15Å; A176-L178 PolarHBondContact O-N 3.48Å; L178-A180 PolarHBondContact O-N 2.89Å; L178-S181 PolarHBondContact O-N 2.76Å; L178-T182 PolarHBondContact O-N 3.37Å; L178-T182 PolarHBondContact O-OG1 3.25Å; L178-T182 VanDerWaalsContact O-OG1 3.06Å; L178-V224 HydrophobicContact CD2-CB 4Å; L178-V224 HydrophobicContact CD2-CG1 3.52Å |
| 179 | V | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 180 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | K175 A176 S181 T182 A183 L225 | K175-V179 WeakPolarHBondContact O-CG2 3.33Å; K175-V179 PolarHBondContact O-N 3.1Å; A176-V179 PolarHBondContact O-N 2.99Å; V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 3.42Å; V179-T182 PolarHBondContact O-N 2.98Å; V179-A183 PolarHBondContact O-N 2.99Å; V179-L225 HydrophobicContact CG2-CD1 4.49Å; V179-L225 HydrophobicContact CG2-CD2 3.85Å |
| 180 | A | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I138 A176 L178 A183 S184 | I138-A180 HydrophobicContact CD1-CB 3.94Å; I138-A180 VanDerWaalsContact CD1-O 3.27Å; I138-A180 WeakPolarHBondContact CD1-O 3.38Å; I138-A180 HydrophobicContact CG1-CB 3.99Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.45Å; A176-A180 PolarHBondContact O-N 3.47Å; L178-A180 PolarHBondContact O-N 2.89Å; A180-A183 PolarHBondContact O-N 3.26Å; A180-S184 WeakPolarHBondContact O-CB 3.31Å; A180-S184 PolarHBondContact O-N 2.92Å |
| 181 | S | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | M69 Q70 L177 L178 V179 S184 A185 | M69-S181 WeakPolarHBondContact CB-OG 3.33Å; M69-S181 PolarHBondContact O-OG 3Å; Q70-S181 VanDerWaalsContact NE2-C 3.3Å; Q70-S181 VanDerWaalsContact NE2-CB 3.31Å; Q70-S181 PolarHBondContact NE2-OG 2.84Å; L177-S181 WeakPolarHBondContact O-CB 3.32Å; L177-S181 PolarHBondContact O-N 3.15Å; L178-S181 PolarHBondContact O-N 2.76Å; V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 3.42Å; S181-S184 PolarHBondContact O-N 2.88Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 2.98Å |
| 182 | T | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | Q70 L178 V179 S184 A185 L186 S221 | Q70-T182 PolarHBondContact NE2-OG1 2.81Å; Q70-T182 PolarHBondContact OE1-OG1 3.5Å; L178-T182 PolarHBondContact O-N 3.37Å; L178-T182 PolarHBondContact O-OG1 3.25Å; L178-T182 VanDerWaalsContact O-OG1 3.06Å; V179-T182 PolarHBondContact O-N 2.98Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 2.85Å; T182-A185 PolarHBondContact O-N 2.96Å; T182-L186 HydrophobicContact CG2-CD1 4.38Å; T182-L186 VanDerWaalsContact O-CG 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.28Å; T182-L186 PolarHBondContact O-N 3.49Å; T182-S221 WeakPolarHBondContact OG1-CB 3.46Å; T182-S221 PolarHBondContact OG1-OG 3.36Å; T182-S221 VanDerWaalsContact OG1-OG 3.13Å |
| 183 | A | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V179 A180 A185 L186 M187 | V179-A183 PolarHBondContact O-N 2.99Å; A180-A183 PolarHBondContact O-N 3.26Å; A183-A185 PolarHBondContact O-N 3.19Å; A183-L186 PolarHBondContact O-N 2.99Å; A183-M187 HydrophobicContact CB-CE 4.09Å; A183-M187 WeakPolarHBondContact O-CG 3Å; A183-M187 PolarHBondContact O-N 3.4Å |
| 184 | S | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | H131 A180 S181 T182 M187 G188 | H131-S184 PolarHBondContact CE1-O 3.48Å; H131-S184 PolarHBondContact ND1-O 3.24Å; A180-S184 WeakPolarHBondContact O-CB 3.31Å; A180-S184 PolarHBondContact O-N 2.92Å; S181-S184 PolarHBondContact O-N 2.88Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 2.85Å; S184-M187 PolarHBondContact O-N 3.25Å; S184-G188 PolarHBondContact O-N 3.39Å |
| 185 | A | 98.9 | Very high | 98.4 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S181 T182 A183 M187 G188 I189 L217 | S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 2.98Å; T182-A185 PolarHBondContact O-N 2.96Å; A183-A185 PolarHBondContact O-N 3.19Å; A185-M187 PolarHBondContact O-N 3.47Å; A185-G188 PolarHBondContact O-N 3.43Å; A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.2Å; A185-L217 HydrophobicContact CB-CD1 4.36Å |
| 186 | L | 98.9 | Very high | 98.3 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.3 | -66.8 | 175.3 | 0 | 0 | 0 | 111.8 | T182 A183 G188 I189 S190 G214 A218 | T182-L186 HydrophobicContact CG2-CD1 4.38Å; T182-L186 VanDerWaalsContact O-CG 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.28Å; T182-L186 PolarHBondContact O-N 3.49Å; A183-L186 PolarHBondContact O-N 2.99Å; L186-G188 PolarHBondContact O-N 3.25Å; L186-I189 PolarHBondContact O-N 2.96Å; L186-S190 PolarHBondContact O-N 2.93Å; L186-S190 PolarHBondContact O-OG 3.26Å; L186-G214 VanDerWaalsContact CD2-O 3.31Å; L186-G214 WeakPolarHBondContact CD2-O 3.18Å; L186-A218 HydrophobicContact CD1-CB 4.46Å |
| 187 | M | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 173.6 | -68.5 | 176.3 | -133.7 | 0 | 0 | 111.4 | H131 V134 A183 S184 A185 I189 S190 E191 | H131-M187 HydrophobicContact CB-CB 4.18Å; V134-M187 HydrophobicContact CG1-CE 4.28Å; V134-M187 HydrophobicContact CG2-SD 4.49Å; A183-M187 HydrophobicContact CB-CE 4.09Å; A183-M187 WeakPolarHBondContact O-CG 3Å; A183-M187 PolarHBondContact O-N 3.4Å; S184-M187 PolarHBondContact O-N 3.25Å; A185-M187 PolarHBondContact O-N 3.47Å; M187-I189 PolarHBondContact O-N 3.49Å; M187-S190 PolarHBondContact O-N 3.49Å; M187-E191 WeakPolarHBondContact O-CB 3.04Å; M187-E191 PolarHBondContact O-N 2.9Å |
| 188 | G | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H131 S184 A185 L186 Y192 | H131-G188 WeakPolarHBondContact ND1-CA 3.33Å; H131-G188 PolarHBondContact ND1-N 2.95Å; S184-G188 PolarHBondContact O-N 3.39Å; A185-G188 PolarHBondContact O-N 3.43Å; L186-G188 PolarHBondContact O-N 3.25Å; G188-Y192 WeakPolarHBondContact O-CB 3.37Å; G188-Y192 PolarHBondContact O-N 3.43Å |
| 189 | I | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 175.6 | -70.1 | 169.1 | 0 | 0 | 0 | 110.6 | W40 A185 L186 M187 Y192 A193 A210 T213 L217 | W40-I189 HydrophobicContact CH2-CG2 4.02Å; W40-I189 HydrophobicContact CZ3-CG1 4.24Å; W40-I189 HydrophobicContact CZ3-CG2 4.07Å; A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.2Å; L186-I189 PolarHBondContact O-N 2.96Å; M187-I189 PolarHBondContact O-N 3.49Å; I189-Y192 PolarHBondContact O-N 3.01Å; I189-A193 WeakPolarHBondContact O-CB 3.43Å; I189-A193 PolarHBondContact O-N 3.22Å; I189-A210 HydrophobicContact CG2-CB 4.25Å; I189-A210 WeakPolarHBondContact CG2-O 3.36Å; I189-T213 HydrophobicContact CD1-CG2 4.07Å; I189-L217 HydrophobicContact CD1-CD1 3.82Å |
| 190 | S | 98.5 | Very high | 98.1 | Very high | 62 Ų | 62 | 45 Ų | 45 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 178.9 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | L186 M187 A193 A194 | L186-S190 PolarHBondContact O-N 2.93Å; L186-S190 PolarHBondContact O-OG 3.26Å; M187-S190 PolarHBondContact O-N 3.49Å; S190-A193 PolarHBondContact O-N 3.39Å; S190-A194 WeakPolarHBondContact O-CB 3.36Å; S190-A194 PolarHBondContact O-N 3.49Å |
| 191 | E | 98.2 | Very high | 98 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 176 | 178.7 | 169.2 | 117.1 | 0 | 0 | 111.2 | S129 M187 A193 A194 W195 | S129-E191 VanDerWaalsContact CB-OE1 3.27Å; S129-E191 WeakPolarHBondContact CB-OE1 3.5Å; S129-E191 VanDerWaalsContact CB-OE2 3.23Å; S129-E191 WeakPolarHBondContact CB-OE2 3.18Å; S129-E191 PolarHBondContact OG-OE1 3.45Å; S129-E191 PolarHBondContact OG-OE2 2.89Å; M187-E191 WeakPolarHBondContact O-CB 3.04Å; M187-E191 PolarHBondContact O-N 2.9Å; E191-A193 PolarHBondContact O-N 2.91Å; E191-A194 PolarHBondContact O-N 3.32Å; E191-W195 VanDerWaalsContact CD-CZ3 3.4Å; E191-W195 HydrophobicContact CG-CD2 3.89Å; E191-W195 HydrophobicContact CG-CE3 3.57Å; E191-W195 HydrophobicContact CG-CH2 3.11Å; E191-W195 HydrophobicContact CG-CZ2 3.43Å; E191-W195 VanDerWaalsContact CG-CZ2 3.43Å; E191-W195 HydrophobicContact CG-CZ3 3.16Å; E191-W195 PolarHBondContact O-N 3.3Å; E191-W195 VanDerWaalsContact O-N 3.13Å; E191-W195 WeakPolarHBondContact OE1-CH2 3.13Å; E191-W195 WeakPolarHBondContact OE1-CZ3 3.49Å |
| 192 | Y | 98.2 | Very high | 98 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 176.1 | -177.8 | -83 | 0 | 0 | 0 | 111.9 | W40 M41 F58 R59 G188 I189 A194 W195 N196 V197 | W40-Y192 AromaticContact CH2-CD1 3.85Å; W40-Y192 HydrophobicContact CH2-CD1 3.85Å; W40-Y192 HydrophobicContact CH2-CG 4.48Å; W40-Y192 AromaticContact CZ2-CD1 3.32Å; W40-Y192 HydrophobicContact CZ2-CD1 3.32Å; W40-Y192 AromaticContact CZ2-CE1 3.65Å; W40-Y192 HydrophobicContact CZ2-CE1 3.65Å; W40-Y192 HydrophobicContact CZ2-CG 4.33Å; M41-Y192 HydrophobicContact CE-CE1 4.18Å; F58-Y192 HydrophobicContact CD1-CD2 4.02Å; F58-Y192 AromaticContact CD1-CE2 3.8Å; F58-Y192 HydrophobicContact CD1-CE2 3.8Å; F58-Y192 AromaticContact CE1-CD2 3.27Å; F58-Y192 HydrophobicContact CE1-CD2 3.27Å; F58-Y192 AromaticContact CE1-CE2 3.54Å; F58-Y192 HydrophobicContact CE1-CE2 3.54Å; F58-Y192 HydrophobicContact CE1-CG 4.39Å; F58-Y192 AromaticContact CZ-CD2 3.91Å; F58-Y192 HydrophobicContact CZ-CD2 3.91Å; R59-Y192 PolarHBondContact NH1-OH 3.48Å; R59-Y192 PolarHBondContact NH2-OH 3.04Å; G188-Y192 WeakPolarHBondContact O-CB 3.37Å; G188-Y192 PolarHBondContact O-N 3.43Å; I189-Y192 PolarHBondContact O-N 3.01Å; Y192-A194 PolarHBondContact O-N 2.95Å; Y192-W195 PolarHBondContact O-N 3.45Å; Y192-N196 HydrophobicContact CD1-CB 4.28Å; Y192-N196 WeakPolarHBondContact CD2-ND2 3.34Å; Y192-N196 HydrophobicContact CE1-CB 3.81Å; Y192-N196 HydrophobicContact CE2-CB 4.23Å; Y192-N196 WeakPolarHBondContact O-CB 3.23Å; Y192-N196 PolarHBondContact O-N 2.92Å; Y192-N196 PolarHBondContact O-ND2 3.39Å; Y192-N196 VanDerWaalsContact O-ND2 3.13Å; Y192-V197 HydrophobicContact CE1-CG2 4.38Å |
| 193 | A | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I189 S190 E191 W195 V197 W200 A210 | I189-A193 WeakPolarHBondContact O-CB 3.43Å; I189-A193 PolarHBondContact O-N 3.22Å; S190-A193 PolarHBondContact O-N 3.39Å; E191-A193 PolarHBondContact O-N 2.91Å; A193-W195 VanDerWaalsContact C-N 3.28Å; A193-W195 PolarHBondContact O-N 2.95Å; A193-V197 HydrophobicContact CB-CG2 4.44Å; A193-V197 WeakPolarHBondContact O-CB 3.28Å; A193-V197 PolarHBondContact O-N 3.39Å; A193-W200 HydrophobicContact CB-CD2 3.9Å; A193-W200 HydrophobicContact CB-CE3 4.04Å; A193-W200 HydrophobicContact CB-CG 4.49Å; A193-W200 HydrophobicContact CB-CH2 4.17Å; A193-W200 HydrophobicContact CB-CZ2 4Å; A193-W200 HydrophobicContact CB-CZ3 4.18Å; A193-A210 HydrophobicContact CB-CB 4.41Å |
| 194 | A | 98 | Very high | 97.9 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S190 E191 Y192 W200 | S190-A194 WeakPolarHBondContact O-CB 3.36Å; S190-A194 PolarHBondContact O-N 3.49Å; E191-A194 PolarHBondContact O-N 3.32Å; Y192-A194 PolarHBondContact O-N 2.95Å; A194-W200 HydrophobicContact CB-CZ3 4.15Å |
| 195 | W | 95.8 | Very high | 97.8 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 41% | 0.409 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -86.5 | -38.9 | -177.2 | -63.4 | -21.9 | 0 | 0 | 0 | 113.7 | Y128 E191 Y192 A193 K198 | Y128-W195 HydrophobicContact CE1-CH2 4.46Å; Y128-W195 AromaticContact CE2-CH2 3.77Å; Y128-W195 HydrophobicContact CE2-CH2 3.77Å; Y128-W195 HydrophobicContact CE2-CZ2 4.14Å; Y128-W195 AromaticContact CZ-CH2 3.5Å; Y128-W195 AromaticContact CZ-CZ3 3.88Å; Y128-W195 WeakPolarHBondContact OH-CH2 3.48Å; Y128-W195 WeakPolarHBondContact OH-CZ3 3.26Å; E191-W195 VanDerWaalsContact CD-CZ3 3.4Å; E191-W195 HydrophobicContact CG-CD2 3.89Å; E191-W195 HydrophobicContact CG-CE3 3.57Å; E191-W195 HydrophobicContact CG-CH2 3.11Å; E191-W195 HydrophobicContact CG-CZ2 3.43Å; E191-W195 VanDerWaalsContact CG-CZ2 3.43Å; E191-W195 HydrophobicContact CG-CZ3 3.16Å; E191-W195 PolarHBondContact O-N 3.3Å; E191-W195 VanDerWaalsContact O-N 3.13Å; E191-W195 WeakPolarHBondContact OE1-CH2 3.13Å; E191-W195 WeakPolarHBondContact OE1-CZ3 3.49Å; Y192-W195 PolarHBondContact O-N 3.45Å; A193-W195 VanDerWaalsContact C-N 3.28Å; A193-W195 PolarHBondContact O-N 2.95Å; W195-K198 PolarHBondContact O-NZ 3.34Å |
| 196 | N | 96.5 | Very high | 97.8 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -107.8 | -29.3 | -166.6 | -62.4 | -77 | 0 | 0 | 0 | 113.5 | Y192 K198 | Y192-N196 HydrophobicContact CD1-CB 4.28Å; Y192-N196 WeakPolarHBondContact CD2-ND2 3.34Å; Y192-N196 HydrophobicContact CE1-CB 3.81Å; Y192-N196 HydrophobicContact CE2-CB 4.23Å; Y192-N196 WeakPolarHBondContact O-CB 3.23Å; Y192-N196 PolarHBondContact O-N 2.92Å; Y192-N196 PolarHBondContact O-ND2 3.39Å; Y192-N196 VanDerWaalsContact O-ND2 3.13Å; N196-K198 PolarHBondContact O-N 2.97Å |
| 197 | V | 97.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | trans | -94.3 | 85.6 | -174.5 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | Y192 A193 C199 W200 E206 | Y192-V197 HydrophobicContact CE1-CG2 4.38Å; A193-V197 HydrophobicContact CB-CG2 4.44Å; A193-V197 WeakPolarHBondContact O-CB 3.28Å; A193-V197 PolarHBondContact O-N 3.39Å; V197-C199 PolarHBondContact O-N 3Å; V197-W200 HydrophobicContact CB-CB 4.11Å; V197-W200 HydrophobicContact CG1-CB 3.91Å; V197-W200 WeakPolarHBondContact O-CB 3.32Å; V197-W200 PolarHBondContact O-N 3.04Å; V197-W200 VanDerWaalsContact O-N 3.07Å; V197-E206 HydrophobicContact CG1-CB 4.04Å; V197-E206 HydrophobicContact CG1-CG 4.25Å; V197-E206 HydrophobicContact CG2-CG 3.87Å | ||
| 198 | K | 96.6 | Very high | 97.7 | Very high | 173 Ų | 173 | 61.1 Ų | 61.1 | 75% | 0.752 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -29.4 | -174.5 | -56.8 | -51.1 | -175.6 | -167.4 | 0 | 114.1 | W195 N196 W200 | W195-K198 PolarHBondContact O-NZ 3.34Å; N196-K198 PolarHBondContact O-N 2.97Å; K198-W200 VanDerWaalsContact C-N 3.33Å |
| 199 | C | 97.4 | Very high | 97.7 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 28% | 0.284 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 10.5 | 178.8 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | V197 S201 Q202 C204 | V197-C199 PolarHBondContact O-N 3Å; C199-S201 VanDerWaalsContact C-N 3.34Å; C199-S201 PolarHBondContact O-N 3.44Å; C199-Q202 WeakPolarHBondContact O-CB 3.05Å; C199-Q202 PolarHBondContact O-N 2.94Å; C199-C204 HydrophobicContact CB-CB 3.56Å; C199-C204 WeakPolarHBondContact CB-SG 3.4Å; C199-C204 PolarHBondContact O-SG 3.45Å; C199-C204 WeakPolarHBondContact SG-CB 3.42Å; C199-C204 CovalentContact SG-SG 2.04Å; C199-C204 PolarHBondContact SG-SG 3.4Å |
| 200 | W | 97.5 | Very high | 97.7 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 28% | 0.284 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -58.8 | -40.7 | -170.7 | -172.4 | 29.2 | 0 | 0 | 0 | 113.5 | A193 A194 V197 K198 Q202 L203 G207 N211 | A193-W200 HydrophobicContact CB-CD2 3.9Å; A193-W200 HydrophobicContact CB-CE3 4.04Å; A193-W200 HydrophobicContact CB-CG 4.49Å; A193-W200 HydrophobicContact CB-CH2 4.17Å; A193-W200 HydrophobicContact CB-CZ2 4Å; A193-W200 HydrophobicContact CB-CZ3 4.18Å; A194-W200 HydrophobicContact CB-CZ3 4.15Å; V197-W200 HydrophobicContact CB-CB 4.11Å; V197-W200 HydrophobicContact CG1-CB 3.91Å; V197-W200 WeakPolarHBondContact O-CB 3.32Å; V197-W200 PolarHBondContact O-N 3.04Å; V197-W200 VanDerWaalsContact O-N 3.07Å; K198-W200 VanDerWaalsContact C-N 3.33Å; W200-Q202 PolarHBondContact O-N 3.34Å; W200-L203 PolarHBondContact O-N 2.92Å; W200-G207 VanDerWaalsContact CD1-CA 3.45Å; W200-N211 WeakPolarHBondContact CZ2-OD1 3.26Å; W200-N211 PolarHBondContact NE1-ND2 3.38Å; W200-N211 PolarHBondContact NE1-OD1 3.42Å; W200-N211 VanDerWaalsContact NE1-OD1 3.14Å |
| 201 | S | 97.3 | Very high | 97.7 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 78% | 0.783 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -66 | -17.2 | 177.5 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | C199 L203 | C199-S201 VanDerWaalsContact C-N 3.34Å; C199-S201 PolarHBondContact O-N 3.44Å; S201-L203 VanDerWaalsContact C-N 3.33Å |
| 202 | Q | 98.1 | Very high | 97.7 | Very high | 159 Ų | 159 | 63.9 Ų | 63.9 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -93.6 | 8.6 | 176.1 | -59.7 | 175.3 | -12.4 | 0 | 0 | 112.3 | C199 W200 C204 | C199-Q202 WeakPolarHBondContact O-CB 3.05Å; C199-Q202 PolarHBondContact O-N 2.94Å; W200-Q202 PolarHBondContact O-N 3.34Å; Q202-C204 PolarHBondContact O-N 2.92Å |
| 203 | L | 96.9 | Very high | 97.8 | Very high | 116 Ų | 116 | 63 Ų | 63 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 36.6 | -178.7 | -53.2 | 178.2 | 0 | 0 | 0 | 112.8 | W200 S201 M208 | W200-L203 PolarHBondContact O-N 2.92Å; S201-L203 VanDerWaalsContact C-N 3.33Å; L203-M208 HydrophobicContact CB-CG 4.29Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD2-SD 3.81Å; L203-M208 HydrophobicContact CG-SD 4.31Å; L203-M208 VanDerWaalsContact O-CG 3.29Å; L203-M208 WeakPolarHBondContact O-CG 3.16Å |
| 204 | C | 98.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | trans | -62.6 | 157.6 | 175.2 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | C199 Q202 E206 G207 M208 | C199-C204 HydrophobicContact CB-CB 3.56Å; C199-C204 WeakPolarHBondContact CB-SG 3.4Å; C199-C204 PolarHBondContact O-SG 3.45Å; C199-C204 WeakPolarHBondContact SG-CB 3.42Å; C199-C204 CovalentContact SG-SG 2.04Å; C199-C204 PolarHBondContact SG-SG 3.4Å; Q202-C204 PolarHBondContact O-N 2.92Å; C204-E206 VanDerWaalsContact C-N 3.26Å; C204-E206 PolarHBondContact O-N 3.05Å; C204-E206 VanDerWaalsContact O-N 3.14Å; C204-G207 WeakPolarHBondContact O-CA 3.5Å; C204-G207 PolarHBondContact O-N 3.47Å; C204-M208 PolarHBondContact O-N 2.9Å | ||
| 205 | S | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -53.7 | -39.5 | -172.6 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | Y44 M208 I209 | Y44-S205 WeakPolarHBondContact OH-CB 3.49Å; S205-M208 PolarHBondContact O-N 2.92Å; S205-I209 WeakPolarHBondContact O-CG2 3.49Å; S205-I209 PolarHBondContact O-N 3.39Å |
| 206 | E | 98 | Very high | 98 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.5 | -166.2 | 176.2 | 178.9 | 0 | 0 | 112.3 | W40 Y44 V197 C204 M208 I209 A210 | W40-E206 PolarHBondContact NE1-OE1 3.47Å; Y44-E206 HydrophobicContact CD1-CB 3.47Å; Y44-E206 VanDerWaalsContact CD1-CB 3.47Å; Y44-E206 HydrophobicContact CD1-CG 3.62Å; Y44-E206 HydrophobicContact CD2-CG 4.35Å; Y44-E206 HydrophobicContact CE1-CB 3.54Å; Y44-E206 HydrophobicContact CE1-CG 4.13Å; Y44-E206 HydrophobicContact CG-CB 4.09Å; Y44-E206 HydrophobicContact CG-CG 3.74Å; V197-E206 HydrophobicContact CG1-CB 4.04Å; V197-E206 HydrophobicContact CG1-CG 4.25Å; V197-E206 HydrophobicContact CG2-CG 3.87Å; C204-E206 VanDerWaalsContact C-N 3.26Å; C204-E206 PolarHBondContact O-N 3.05Å; C204-E206 VanDerWaalsContact O-N 3.14Å; E206-M208 VanDerWaalsContact C-N 3.33Å; E206-I209 WeakPolarHBondContact O-CG2 3.19Å; E206-A210 PolarHBondContact O-N 3.25Å; E206-A210 VanDerWaalsContact O-N 3.13Å |
| 207 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W200 C204 N211 | W200-G207 VanDerWaalsContact CD1-CA 3.45Å; C204-G207 WeakPolarHBondContact O-CA 3.5Å; C204-G207 PolarHBondContact O-N 3.47Å; G207-N211 VanDerWaalsContact O-CG 3.3Å; G207-N211 PolarHBondContact O-N 2.96Å |
| 208 | M | 98.5 | Very high | 98.2 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 28% | 0.281 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 177.3 | -67 | -57.3 | -66 | 0 | 0 | 111.9 | L203 C204 S205 E206 A210 N211 F212 | L203-M208 HydrophobicContact CB-CG 4.29Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD2-SD 3.81Å; L203-M208 HydrophobicContact CG-SD 4.31Å; L203-M208 VanDerWaalsContact O-CG 3.29Å; L203-M208 WeakPolarHBondContact O-CG 3.16Å; C204-M208 PolarHBondContact O-N 2.9Å; S205-M208 PolarHBondContact O-N 2.92Å; E206-M208 VanDerWaalsContact C-N 3.33Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 2.97Å; M208-N211 PolarHBondContact O-N 3.11Å; M208-F212 HydrophobicContact CB-CD2 4.41Å; M208-F212 HydrophobicContact CE-CD2 4.3Å; M208-F212 HydrophobicContact CE-CE2 3.53Å; M208-F212 HydrophobicContact CE-CZ 4.13Å; M208-F212 WeakPolarHBondContact O-CB 3.39Å; M208-F212 WeakPolarHBondContact O-CD2 3.31Å; M208-F212 PolarHBondContact O-N 3.44Å |
| 209 | I | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177 | -165.3 | 166.5 | 0 | 0 | 0 | 111.5 | L36 V39 W40 Y44 S205 E206 T213 | L36-I209 HydrophobicContact CB-CD1 4.39Å; L36-I209 HydrophobicContact CB-CG1 4.03Å; L36-I209 HydrophobicContact CD2-CD1 4.19Å; L36-I209 HydrophobicContact CD2-CG1 4.15Å; L36-I209 HydrophobicContact CG-CG1 4.47Å; L36-I209 WeakPolarHBondContact O-CD1 3.49Å; V39-I209 HydrophobicContact CB-CD1 4.13Å; V39-I209 HydrophobicContact CG1-CD1 3.91Å; W40-I209 HydrophobicContact CB-CD1 3.96Å; W40-I209 HydrophobicContact CB-CG1 4.13Å; W40-I209 HydrophobicContact CB-CG2 3.87Å; W40-I209 HydrophobicContact CD2-CG2 4.31Å; W40-I209 HydrophobicContact CG-CG2 3.71Å; Y44-I209 HydrophobicContact CE2-CG2 4.09Å; S205-I209 WeakPolarHBondContact O-CG2 3.49Å; S205-I209 PolarHBondContact O-N 3.39Å; E206-I209 WeakPolarHBondContact O-CG2 3.19Å; I209-T213 VanDerWaalsContact O-CB 3.29Å; I209-T213 WeakPolarHBondContact O-CB 3.29Å; I209-T213 PolarHBondContact O-N 3.04Å; I209-T213 PolarHBondContact O-OG1 3.2Å |
| 210 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W40 I189 A193 E206 M208 F212 T213 G214 | W40-A210 HydrophobicContact CD2-CB 4.4Å; W40-A210 HydrophobicContact CE3-CB 4.34Å; W40-A210 HydrophobicContact CH2-CB 3.42Å; W40-A210 VanDerWaalsContact CH2-CB 3.42Å; W40-A210 HydrophobicContact CZ2-CB 3.45Å; W40-A210 VanDerWaalsContact CZ2-CB 3.45Å; W40-A210 HydrophobicContact CZ3-CB 3.89Å; I189-A210 HydrophobicContact CG2-CB 4.25Å; I189-A210 WeakPolarHBondContact CG2-O 3.36Å; A193-A210 HydrophobicContact CB-CB 4.41Å; E206-A210 PolarHBondContact O-N 3.25Å; E206-A210 VanDerWaalsContact O-N 3.13Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 2.97Å; A210-F212 PolarHBondContact O-N 2.93Å; A210-T213 PolarHBondContact O-N 3.11Å; A210-G214 PolarHBondContact O-N 3.37Å |
| 211 | N | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 179.1 | -72.7 | -13.4 | 0 | 0 | 0 | 112.3 | W200 G207 M208 G214 L215 | W200-N211 WeakPolarHBondContact CZ2-OD1 3.26Å; W200-N211 PolarHBondContact NE1-ND2 3.38Å; W200-N211 PolarHBondContact NE1-OD1 3.42Å; W200-N211 VanDerWaalsContact NE1-OD1 3.14Å; G207-N211 VanDerWaalsContact O-CG 3.3Å; G207-N211 PolarHBondContact O-N 2.96Å; M208-N211 PolarHBondContact O-N 3.11Å; N211-G214 PolarHBondContact O-N 2.91Å; N211-L215 WeakPolarHBondContact O-CB 3.46Å; N211-L215 PolarHBondContact O-N 3.46Å |
| 212 | F | 98.7 | Very high | 98.4 | Very high | 106 Ų | 106 | 46.8 Ų | 46.8 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 178.6 | -80 | -63.3 | 0 | 0 | 0 | 112.5 | L36 M208 A210 L215 L216 | L36-F212 HydrophobicContact CD1-CB 3.85Å; M208-F212 HydrophobicContact CB-CD2 4.41Å; M208-F212 HydrophobicContact CE-CD2 4.3Å; M208-F212 HydrophobicContact CE-CE2 3.53Å; M208-F212 HydrophobicContact CE-CZ 4.13Å; M208-F212 WeakPolarHBondContact O-CB 3.39Å; M208-F212 WeakPolarHBondContact O-CD2 3.31Å; M208-F212 PolarHBondContact O-N 3.44Å; A210-F212 PolarHBondContact O-N 2.93Å; F212-L215 HydrophobicContact CD1-CD2 4.47Å; F212-L215 PolarHBondContact O-N 2.92Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 VanDerWaalsContact O-CG 3.26Å; F212-L216 WeakPolarHBondContact O-CG 3.18Å; F212-L216 PolarHBondContact O-N 3.15Å |
| 213 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 172.7 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | L36 V37 I66 I189 I209 A210 L215 L216 L217 | L36-T213 VanDerWaalsContact CB-OG1 3.31Å; L36-T213 WeakPolarHBondContact CB-OG1 3.38Å; V37-T213 HydrophobicContact CB-CG2 4.02Å; I66-T213 HydrophobicContact CD1-CG2 4.09Å; I189-T213 HydrophobicContact CD1-CG2 4.07Å; I209-T213 VanDerWaalsContact O-CB 3.29Å; I209-T213 WeakPolarHBondContact O-CB 3.29Å; I209-T213 PolarHBondContact O-N 3.04Å; I209-T213 PolarHBondContact O-OG1 3.2Å; A210-T213 PolarHBondContact O-N 3.11Å; T213-L215 PolarHBondContact O-N 3.49Å; T213-L216 PolarHBondContact O-N 3.28Å; T213-L217 HydrophobicContact CG2-CD1 4.28Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.31Å; T213-L217 PolarHBondContact O-N 2.98Å |
| 214 | G | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L186 A210 N211 L216 L217 A218 | L186-G214 VanDerWaalsContact CD2-O 3.31Å; L186-G214 WeakPolarHBondContact CD2-O 3.18Å; A210-G214 PolarHBondContact O-N 3.37Å; N211-G214 PolarHBondContact O-N 2.91Å; G214-L216 PolarHBondContact O-N 2.87Å; G214-L217 PolarHBondContact O-N 3.34Å; G214-A218 PolarHBondContact O-N 3.14Å |
| 215 | L | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 49% | 0.492 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 178.7 | -179 | 62.5 | 0 | 0 | 0 | 112.2 | N211 F212 T213 L217 A218 L219 | N211-L215 WeakPolarHBondContact O-CB 3.46Å; N211-L215 PolarHBondContact O-N 3.46Å; F212-L215 HydrophobicContact CD1-CD2 4.47Å; F212-L215 PolarHBondContact O-N 2.92Å; T213-L215 PolarHBondContact O-N 3.49Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 3.18Å; L215-A218 PolarHBondContact O-N 3.44Å; L215-L219 HydrophobicContact CD1-CD1 4.4Å; L215-L219 HydrophobicContact CD1-CG 4.47Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 2.87Å |
| 216 | L | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.6 | -72.2 | 174.3 | 0 | 0 | 0 | 112.1 | L29 T32 A33 L36 F212 T213 G214 L219 Y220 | L29-L216 HydrophobicContact CD2-CD2 3.56Å; T32-L216 HydrophobicContact CG2-CD1 3.57Å; A33-L216 HydrophobicContact CB-CB 4.04Å; L36-L216 HydrophobicContact CD1-CD1 3.6Å; L36-L216 HydrophobicContact CG-CD1 4.36Å; F212-L216 WeakPolarHBondContact O-CB 3.39Å; F212-L216 VanDerWaalsContact O-CG 3.26Å; F212-L216 WeakPolarHBondContact O-CG 3.18Å; F212-L216 PolarHBondContact O-N 3.15Å; T213-L216 PolarHBondContact O-N 3.28Å; G214-L216 PolarHBondContact O-N 2.87Å; L216-L219 PolarHBondContact O-N 3.48Å; L216-Y220 WeakPolarHBondContact O-CB 3.36Å; L216-Y220 PolarHBondContact O-N 3.34Å |
| 217 | L | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.6 | -70 | 174.6 | 0 | 0 | 0 | 112.2 | A33 I66 Q70 A185 I189 T213 G214 L215 Y220 S221 | A33-L217 HydrophobicContact CB-CD2 3.74Å; A33-L217 HydrophobicContact CB-CG 4.14Å; I66-L217 HydrophobicContact CD1-CD1 3.73Å; I66-L217 HydrophobicContact CG1-CD1 3.81Å; I66-L217 HydrophobicContact CG1-CD2 4.45Å; I66-L217 HydrophobicContact CG2-CD2 3.86Å; Q70-L217 HydrophobicContact CB-CD2 4.08Å; Q70-L217 HydrophobicContact CG-CD2 4.12Å; A185-L217 HydrophobicContact CB-CD1 4.36Å; I189-L217 HydrophobicContact CD1-CD1 3.82Å; T213-L217 HydrophobicContact CG2-CD1 4.28Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.31Å; T213-L217 PolarHBondContact O-N 2.98Å; G214-L217 PolarHBondContact O-N 3.34Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 3.18Å; L217-Y220 PolarHBondContact O-N 3.25Å; L217-S221 WeakPolarHBondContact O-CB 3.45Å; L217-S221 PolarHBondContact O-N 3.13Å |
| 218 | A | 98.7 | Very high | 98.6 | Very high | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L186 G214 L215 S221 A222 | L186-A218 HydrophobicContact CD1-CB 4.46Å; G214-A218 PolarHBondContact O-N 3.14Å; L215-A218 PolarHBondContact O-N 3.44Å; A218-S221 PolarHBondContact O-N 3.33Å; A218-A222 WeakPolarHBondContact O-CB 3.2Å; A218-A222 PolarHBondContact O-N 2.99Å |
| 219 | L | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 44% | 0.44 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 177 | -68.5 | 173.2 | 0 | 0 | 0 | 112.1 | L29 L215 L216 A222 M223 | L29-L219 HydrophobicContact CD1-CB 3.97Å; L29-L219 HydrophobicContact CD2-CB 4.17Å; L29-L219 HydrophobicContact CD2-CD1 4.42Å; L215-L219 HydrophobicContact CD1-CD1 4.4Å; L215-L219 HydrophobicContact CD1-CG 4.47Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 2.87Å; L216-L219 PolarHBondContact O-N 3.48Å; L219-A222 PolarHBondContact O-N 3.43Å; L219-M223 WeakPolarHBondContact O-CB 3.34Å; L219-M223 PolarHBondContact O-N 2.9Å |
| 220 | Y | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -54.6 | 174.6 | 168.8 | -104.7 | 0 | 0 | 0 | 110.6 | A26 L29 Q70 L71 G74 L216 L217 A222 M223 V224 | A26-Y220 HydrophobicContact CB-CD2 4.44Å; A26-Y220 HydrophobicContact CB-CE2 4.44Å; A26-Y220 WeakPolarHBondContact O-CD2 3.29Å; L29-Y220 HydrophobicContact CB-CD2 4.47Å; Q70-Y220 WeakPolarHBondContact O-CE1 3.43Å; Q70-Y220 PolarHBondContact O-OH 3.06Å; L71-Y220 HydrophobicContact CD1-CE2 4.21Å; L71-Y220 PolarHBondContact O-OH 3.29Å; G74-Y220 WeakPolarHBondContact CA-OH 3.47Å; L216-Y220 WeakPolarHBondContact O-CB 3.36Å; L216-Y220 PolarHBondContact O-N 3.34Å; L217-Y220 PolarHBondContact O-N 3.25Å; Y220-A222 VanDerWaalsContact C-N 3.3Å; Y220-A222 PolarHBondContact O-N 2.68Å; Y220-M223 PolarHBondContact O-N 3.13Å; Y220-M223 VanDerWaalsContact O-N 3.14Å; Y220-V224 HydrophobicContact CD1-CG2 4.43Å; Y220-V224 HydrophobicContact CD2-CG2 4.03Å; Y220-V224 HydrophobicContact CE1-CG2 3.99Å; Y220-V224 HydrophobicContact CE2-CG2 3.57Å; Y220-V224 HydrophobicContact CG-CG2 4.45Å; Y220-V224 WeakPolarHBondContact O-CG2 3.5Å; Y220-V224 PolarHBondContact O-N 3.21Å |
| 221 | S | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | T182 L217 A218 L225 | T182-S221 WeakPolarHBondContact OG1-CB 3.46Å; T182-S221 PolarHBondContact OG1-OG 3.36Å; T182-S221 VanDerWaalsContact OG1-OG 3.13Å; L217-S221 WeakPolarHBondContact O-CB 3.45Å; L217-S221 PolarHBondContact O-N 3.13Å; A218-S221 PolarHBondContact O-N 3.33Å; S221-L225 WeakPolarHBondContact O-CB 3.37Å; S221-L225 PolarHBondContact O-N 3.5Å |
| 222 | A | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A218 L219 Y220 L225 Y226 | A218-A222 WeakPolarHBondContact O-CB 3.2Å; A218-A222 PolarHBondContact O-N 2.99Å; L219-A222 PolarHBondContact O-N 3.43Å; Y220-A222 VanDerWaalsContact C-N 3.3Å; Y220-A222 PolarHBondContact O-N 2.68Å; A222-L225 PolarHBondContact O-N 3.32Å; A222-Y226 WeakPolarHBondContact O-CB 3.41Å; A222-Y226 PolarHBondContact O-N 2.78Å |
| 223 | M | 98.5 | Very high | 97.5 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 177.4 | -171.9 | 59.8 | 68.8 | 0 | 0 | 111.7 | V25 A26 L219 Y220 L225 Y226 L227 | V25-M223 HydrophobicContact CB-CE 4.38Å; V25-M223 HydrophobicContact CG1-CE 3.86Å; A26-M223 HydrophobicContact CB-CB 4.28Å; A26-M223 HydrophobicContact CB-CG 3.78Å; L219-M223 WeakPolarHBondContact O-CB 3.34Å; L219-M223 PolarHBondContact O-N 2.9Å; Y220-M223 PolarHBondContact O-N 3.13Å; Y220-M223 VanDerWaalsContact O-N 3.14Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 2.86Å; M223-Y226 PolarHBondContact O-N 3.13Å; M223-Y226 HydrophobicContact SD-CD1 4.21Å; M223-L227 HydrophobicContact CG-CD1 4.03Å; M223-L227 VanDerWaalsContact O-CG 3.24Å; M223-L227 WeakPolarHBondContact O-CG 3.46Å; M223-L227 PolarHBondContact O-N 3.45Å; M223-L227 HydrophobicContact SD-CG 4.48Å |
| 224 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | A26 L78 L178 Y220 Y226 L227 V228 | A26-V224 HydrophobicContact CB-CG2 4.39Å; L78-V224 HydrophobicContact CD1-CG1 4.27Å; L78-V224 HydrophobicContact CD1-CG2 4.02Å; L78-V224 HydrophobicContact CG-CG1 4.15Å; L178-V224 HydrophobicContact CD2-CB 4Å; L178-V224 HydrophobicContact CD2-CG1 3.52Å; Y220-V224 HydrophobicContact CD1-CG2 4.43Å; Y220-V224 HydrophobicContact CD2-CG2 4.03Å; Y220-V224 HydrophobicContact CE1-CG2 3.99Å; Y220-V224 HydrophobicContact CE2-CG2 3.57Å; Y220-V224 HydrophobicContact CG-CG2 4.45Å; Y220-V224 WeakPolarHBondContact O-CG2 3.5Å; Y220-V224 PolarHBondContact O-N 3.21Å; V224-Y226 VanDerWaalsContact C-N 3.33Å; V224-Y226 PolarHBondContact O-N 2.9Å; V224-L227 PolarHBondContact O-N 3.4Å; V224-V228 HydrophobicContact CG1-CG1 4.24Å; V224-V228 WeakPolarHBondContact O-CG1 3.49Å; V224-V228 WeakPolarHBondContact O-CG2 3.24Å; V224-V228 PolarHBondContact O-N 3.42Å |
| 225 | L | 98.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.1 | -42.1 | -179.8 | -174.6 | 63.5 | 0 | 0 | 0 | 112.1 | K175 V179 S221 A222 M223 V228 S229 | K175-L225 HydrophobicContact CB-CD1 3.98Å; K175-L225 HydrophobicContact CD-CD1 4.06Å; K175-L225 HydrophobicContact CG-CD1 4Å; V179-L225 HydrophobicContact CG2-CD1 4.49Å; V179-L225 HydrophobicContact CG2-CD2 3.85Å; S221-L225 WeakPolarHBondContact O-CB 3.37Å; S221-L225 PolarHBondContact O-N 3.5Å; A222-L225 PolarHBondContact O-N 3.32Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 2.86Å; L225-V228 HydrophobicContact CD1-CG2 4.46Å; L225-V228 WeakPolarHBondContact O-CG2 3.39Å; L225-S229 WeakPolarHBondContact O-CB 3.49Å; L225-S229 PolarHBondContact O-N 2.99Å; L225-S229 PolarHBondContact O-OG 2.8Å |
| 226 | Y | 98.2 | Very high | 96.3 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 45% | 0.451 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 174.2 | 166.9 | -108.7 | 0 | 0 | 0 | 111.5 | A222 M223 V224 V228 S229 N230 Y233 | A222-Y226 WeakPolarHBondContact O-CB 3.41Å; A222-Y226 PolarHBondContact O-N 2.78Å; M223-Y226 PolarHBondContact O-N 3.13Å; M223-Y226 HydrophobicContact SD-CD1 4.21Å; V224-Y226 VanDerWaalsContact C-N 3.33Å; V224-Y226 PolarHBondContact O-N 2.9Å; Y226-V228 PolarHBondContact O-N 2.89Å; Y226-S229 PolarHBondContact O-N 3.5Å; Y226-N230 WeakPolarHBondContact O-CB 3.22Å; Y226-N230 PolarHBondContact O-N 2.88Å; Y226-Y233 HydrophobicContact CE1-CE2 4.22Å |
| 227 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | -178.2 | -69.2 | 168 | 0 | 0 | 0 | 112.6 | F19 A26 L78 M223 V224 Y233 | F19-L227 HydrophobicContact CD2-CD2 3.73Å; F19-L227 HydrophobicContact CE2-CD2 4.11Å; A26-L227 HydrophobicContact CB-CD1 4.22Å; L78-L227 HydrophobicContact CD1-CD1 4.45Å; L78-L227 HydrophobicContact CD2-CB 3.6Å; L78-L227 HydrophobicContact CD2-CD1 4.11Å; M223-L227 HydrophobicContact CG-CD1 4.03Å; M223-L227 VanDerWaalsContact O-CG 3.24Å; M223-L227 WeakPolarHBondContact O-CG 3.46Å; M223-L227 PolarHBondContact O-N 3.45Å; M223-L227 HydrophobicContact SD-CG 4.48Å; V224-L227 PolarHBondContact O-N 3.4Å; L227-Y233 HydrophobicContact CD2-CD2 4.2Å; L227-Y233 HydrophobicContact CD2-CE2 3.99Å |
| 228 | V | 97.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77.9 | -21.5 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | A77 L78 R81 K175 V224 L225 Y226 | A77-V228 HydrophobicContact CB-CG1 4.14Å; L78-V228 HydrophobicContact CD2-CG1 3.64Å; L78-V228 HydrophobicContact CG-CG1 4.05Å; R81-V228 VanDerWaalsContact CZ-O 3.28Å; R81-V228 PolarHBondContact NH2-O 3.26Å; K175-V228 HydrophobicContact CD-CG2 4.26Å; K175-V228 HydrophobicContact CG-CG2 4.11Å; V224-V228 HydrophobicContact CG1-CG1 4.24Å; V224-V228 WeakPolarHBondContact O-CG1 3.49Å; V224-V228 WeakPolarHBondContact O-CG2 3.24Å; V224-V228 PolarHBondContact O-N 3.42Å; L225-V228 HydrophobicContact CD1-CG2 4.46Å; L225-V228 WeakPolarHBondContact O-CG2 3.39Å; Y226-V228 PolarHBondContact O-N 2.89Å |
| 229 | S | 97.2 | Very high | 94.5 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -94.2 | -16.7 | -178.6 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | K175 L225 Y226 E231 | K175-S229 WeakPolarHBondContact CD-OG 3.32Å; L225-S229 WeakPolarHBondContact O-CB 3.49Å; L225-S229 PolarHBondContact O-N 2.99Å; L225-S229 PolarHBondContact O-OG 2.8Å; Y226-S229 PolarHBondContact O-N 3.5Å; S229-E231 PolarHBondContact O-N 3.42Å |
| 230 | N | 95.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | trans | -75.3 | 115.5 | 177.9 | -172.5 | -30.8 | 0 | 0 | 0 | 110.9 | R81 Y226 N232 Y233 | R81-N230 PolarHBondContact NH1-O 2.7Å; Y226-N230 WeakPolarHBondContact O-CB 3.22Å; Y226-N230 PolarHBondContact O-N 2.88Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N230-N232 PolarHBondContact O-N 3.04Å; N230-N232 WeakPolarHBondContact OD1-CB 3.29Å; N230-N232 PolarHBondContact OD1-N 3.18Å; N230-Y233 HydrophobicContact CB-CD2 3.55Å; N230-Y233 HydrophobicContact CB-CE2 3.75Å; N230-Y233 HydrophobicContact CB-CG 4.2Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.19Å; N230-Y233 PolarHBondContact O-N 2.85Å | ||
| 231 | E | 91.9 | Very high | 93.1 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -64.7 | -27.8 | -178.2 | -68.5 | -61.7 | 139.6 | 0 | 0 | 113.1 | S229 Y233 K234 | S229-E231 PolarHBondContact O-N 3.42Å; E231-Y233 PolarHBondContact O-N 3.45Å; E231-Y233 VanDerWaalsContact O-N 3.11Å; E231-K234 WeakPolarHBondContact O-CB 3.13Å; E231-K234 PolarHBondContact O-N 3.08Å; E231-K234 WeakPolarHBondContact OE2-CD 3.5Å |
| 232 | N | 91.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -64.7 | -21.7 | 177.5 | -58.4 | -1.7 | 0 | 0 | 0 | 111.9 | E15 N230 K234 | E15-N232 PolarHBondContact OE1-ND2 3.36Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N230-N232 PolarHBondContact O-N 3.04Å; N230-N232 WeakPolarHBondContact OD1-CB 3.29Å; N230-N232 PolarHBondContact OD1-N 3.18Å; N232-K234 VanDerWaalsContact C-N 3.31Å |
| 233 | Y | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -91.5 | 4.7 | 177.5 | -52.5 | -25 | 0 | 0 | 0 | 112.6 | E15 F19 R81 Y226 L227 N230 E231 | E15-Y233 HydrophobicContact CB-CE1 4.41Å; E15-Y233 WeakPolarHBondContact O-CE1 3.37Å; F19-Y233 HydrophobicContact CB-CD1 3.69Å; F19-Y233 HydrophobicContact CB-CD2 4.31Å; F19-Y233 HydrophobicContact CB-CE1 3.66Å; F19-Y233 HydrophobicContact CB-CE2 4.27Å; F19-Y233 HydrophobicContact CB-CG 4.05Å; F19-Y233 HydrophobicContact CD2-CD1 4.09Å; F19-Y233 AromaticContact CD2-CD2 3.5Å; F19-Y233 HydrophobicContact CD2-CD2 3.5Å; F19-Y233 VanDerWaalsContact CD2-CD2 3.5Å; F19-Y233 HydrophobicContact CD2-CE2 4.06Å; F19-Y233 AromaticContact CD2-CG 3.52Å; F19-Y233 HydrophobicContact CD2-CG 3.52Å; F19-Y233 HydrophobicContact CE2-CD2 4.29Å; F19-Y233 HydrophobicContact CE2-CG 4.32Å; F19-Y233 HydrophobicContact CG-CD1 4.11Å; F19-Y233 HydrophobicContact CG-CD2 4.29Å; F19-Y233 HydrophobicContact CG-CE1 4.5Å; F19-Y233 HydrophobicContact CG-CG 4.01Å; R81-Y233 WeakPolarHBondContact CD-O 3.35Å; R81-Y233 PolarHBondContact NH1-O 3.31Å; Y226-Y233 HydrophobicContact CE1-CE2 4.22Å; L227-Y233 HydrophobicContact CD2-CD2 4.2Å; L227-Y233 HydrophobicContact CD2-CE2 3.99Å; N230-Y233 HydrophobicContact CB-CD2 3.55Å; N230-Y233 HydrophobicContact CB-CE2 3.75Å; N230-Y233 HydrophobicContact CB-CG 4.2Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.19Å; N230-Y233 PolarHBondContact O-N 2.85Å; E231-Y233 PolarHBondContact O-N 3.45Å; E231-Y233 VanDerWaalsContact O-N 3.11Å |
| 234 | K | 92.2 | Very high | 89.6 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 144.1 | -173.5 | -173.3 | 173.5 | 160.3 | -155.1 | 0 | 109.5 | R84 E231 N232 E236 | R84-K234 PolarHBondContact NH2-O 3.39Å; E231-K234 WeakPolarHBondContact O-CB 3.13Å; E231-K234 PolarHBondContact O-N 3.08Å; E231-K234 WeakPolarHBondContact OE2-CD 3.5Å; N232-K234 VanDerWaalsContact C-N 3.31Å; K234-E236 PolarHBondContact O-N 2.94Å |
| 235 | R | 90.6 | Very high | 87.8 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 123.7 | 171.4 | 174.8 | 176.3 | -169.7 | -71.2 | 14.1 | 108.5 | Y80 R84 T86 E241 | Y80-R235 WeakPolarHBondContact O-CB 3.48Å; R84-R235 HydrophobicContact CB-CB 4.23Å; R84-R235 HydrophobicContact CB-CG 4.43Å; R84-R235 PolarHBondContact O-NE 3.02Å; T86-R235 PolarHBondContact O-NE 3.08Å; T86-R235 PolarHBondContact O-NH2 3.09Å; R235-E241 IonicContact CZ-OE2 3.21Å; R235-E241 IonicContact NH1-OE2 2.78Å; R235-E241 PolarHBondContact NH1-OE2 3.19Å; R235-E241 IonicContact NH2-OE1 2.84Å; R235-E241 PolarHBondContact NH2-OE1 3.25Å; R235-E241 IonicContact NH2-OE2 3.5Å; R235-E241 PolarHBondContact NH2-OE2 3.2Å |
| 236 | E | 88.2 | Confident | 86.3 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 152.3 | 166.4 | -62.3 | -52.1 | 137.4 | 0 | 0 | 110.5 | K234 L238 | K234-E236 PolarHBondContact O-N 2.94Å; E236-L238 PolarHBondContact O-N 3.28Å |
| 237 | P | 87.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 137 | 167 | -22.3 | 33.9 | 0 | 0 | 0 | 110.6 | ||
| 238 | L | 88 | Confident | 83 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 157.8 | 169.2 | -63 | 176.1 | 0 | 0 | 0 | 109.4 | R87 E236 E240 E241 A242 | R87-L238 HydrophobicContact CB-CD1 4.45Å; R87-L238 HydrophobicContact CG-CD1 3.81Å; E236-L238 PolarHBondContact O-N 3.28Å; L238-E240 HydrophobicContact CB-CG 4.45Å; L238-E240 WeakPolarHBondContact CB-OE2 3.2Å; L238-E240 PolarHBondContact O-N 3.19Å; L238-E240 VanDerWaalsContact O-N 3.15Å; L238-E241 HydrophobicContact CB-CB 4.47Å; L238-E241 HydrophobicContact CB-CG 4.21Å; L238-E241 CarbonylContact O-C 3.5Å; L238-E241 WeakPolarHBondContact O-CA 3.49Å; L238-E241 PolarHBondContact O-N 3.04Å; L238-A242 PolarHBondContact O-N 2.95Å |
| 239 | P | 84.1 | Confident | 81 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -53.6 | -37 | -179.5 | -27.7 | 36.7 | 0 | 0 | 0 | 113.6 | T6 E241 | T6-P239 HydrophobicContact CG2-CB 4.33Å; T6-P239 HydrophobicContact CG2-CG 3.68Å; P239-E241 VanDerWaalsContact C-N 3.29Å; P239-E241 PolarHBondContact O-N 2.9Å |
| 240 | E | 84.2 | Confident | 78.6 | Confident | 109 Ų | 109 | 82.4 Ų | 82.4 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -76.1 | -12.2 | 176.1 | 67.2 | -95.6 | -137.6 | 0 | 0 | 114.6 | R87 L238 | R87-E240 IonicContact CZ-OE1 3.29Å; R87-E240 IonicContact NE-OE1 3.89Å; R87-E240 PolarHBondContact NE-OE1 3.38Å; R87-E240 IonicContact NH2-OE1 3.15Å; R87-E240 PolarHBondContact NH2-OE1 3.41Å; L238-E240 HydrophobicContact CB-CG 4.45Å; L238-E240 WeakPolarHBondContact CB-OE2 3.2Å; L238-E240 PolarHBondContact O-N 3.19Å; L238-E240 VanDerWaalsContact O-N 3.15Å |
| 241 | E | 84.7 | Confident | 77.7 | Confident | 40 Ų | 40 | 84.9 Ų | 84.9 | 19% | 0.187 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -105.2 | -7.2 | 177.8 | -61.8 | 176.5 | 175.7 | 0 | 0 | 112.6 | R87 K88 R235 L238 P239 T243 | R87-E241 WeakPolarHBondContact CA-OE1 3.29Å; K88-E241 WeakPolarHBondContact CE-OE2 2.92Å; K88-E241 PolarHBondContact N-OE1 3.07Å; R235-E241 IonicContact CZ-OE2 3.21Å; R235-E241 IonicContact NH1-OE2 2.78Å; R235-E241 PolarHBondContact NH1-OE2 3.19Å; R235-E241 IonicContact NH2-OE1 2.84Å; R235-E241 PolarHBondContact NH2-OE1 3.25Å; R235-E241 IonicContact NH2-OE2 3.5Å; R235-E241 PolarHBondContact NH2-OE2 3.2Å; L238-E241 HydrophobicContact CB-CB 4.47Å; L238-E241 HydrophobicContact CB-CG 4.21Å; L238-E241 CarbonylContact O-C 3.5Å; L238-E241 WeakPolarHBondContact O-CA 3.49Å; L238-E241 PolarHBondContact O-N 3.04Å; P239-E241 VanDerWaalsContact C-N 3.29Å; P239-E241 PolarHBondContact O-N 2.9Å; E241-T243 PolarHBondContact O-N 3.29Å |
| 242 | A | 78.5 | Confident | 77 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | trans | -68.5 | 126.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | L238 D246 L247 | L238-A242 PolarHBondContact O-N 2.95Å; A242-D246 HydrophobicContact CB-CB 4.37Å; A242-L247 HydrophobicContact CB-CD2 4.18Å; A242-L247 HydrophobicContact CB-CG 4.47Å | ||
| 243 | T | 74.6 | Confident | 76.2 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | trans | -87.4 | 165 | 173.3 | 66.3 | 0 | 0 | 0 | 0 | 110.8 | E241 R245 D246 L247 | E241-T243 PolarHBondContact O-N 3.29Å; T243-R245 PolarHBondContact O-N 2.85Å; T243-R245 VanDerWaalsContact O-N 3.15Å; T243-D246 WeakPolarHBondContact CB-OD2 3.42Å; T243-D246 PolarHBondContact N-OD2 3.34Å; T243-D246 WeakPolarHBondContact O-CB 2.95Å; T243-D246 PolarHBondContact O-N 2.99Å; T243-D246 PolarHBondContact OG1-N 3.37Å; T243-D246 PolarHBondContact OG1-OD2 3.48Å; T243-L247 WeakPolarHBondContact O-CG 3.42Å; T243-L247 PolarHBondContact O-N 2.88Å; T243-L247 VanDerWaalsContact O-N 3.11Å | ||
| 244 | F | 68.6 | Low | 75.2 | Confident | 167 Ų | 167 | 88.9 Ų | 88.9 | 73% | 0.732 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54.4 | -34 | 173.3 | -173.8 | -95.1 | 0 | 0 | 0 | 112.4 | L247 V248 | F244-L247 PolarHBondContact O-N 2.66Å; F244-V248 HydrophobicContact CD1-CG2 4.11Å; F244-V248 HydrophobicContact CE1-CG2 3.71Å; F244-V248 HydrophobicContact CE2-CG2 4.27Å; F244-V248 HydrophobicContact CZ-CG2 3.8Å; F244-V248 VanDerWaalsContact O-CG2 3.31Å; F244-V248 WeakPolarHBondContact O-CG2 3.08Å; F244-V248 PolarHBondContact O-N 2.97Å |
| 245 | R | 61.5 | Low | 74.1 | Confident | 167 Ų | 167 | 89.9 Ų | 89.9 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 174.8 | -70.4 | -178.4 | 179.6 | 166.1 | -2.1 | 112.2 | E164 T243 L247 V248 S249 | E164-R245 IonicContact OE1-NH1 3.5Å; E164-R245 PolarHBondContact OE1-NH1 3.42Å; E164-R245 IonicContact OE2-NH1 2.78Å; E164-R245 PolarHBondContact OE2-NH1 3.3Å; T243-R245 PolarHBondContact O-N 2.85Å; T243-R245 VanDerWaalsContact O-N 3.15Å; R245-L247 VanDerWaalsContact C-N 3.25Å; R245-L247 PolarHBondContact O-N 2.78Å; R245-V248 PolarHBondContact O-N 3.25Å; R245-S249 WeakPolarHBondContact O-CB 3.18Å; R245-S249 PolarHBondContact O-N 3.28Å; R245-S249 VanDerWaalsContact O-N 3.1Å; R245-S249 PolarHBondContact O-OG 2.04Å |
| 246 | D | 65.3 | Low | 73 | Confident | 55 Ų | 55 | 94.1 Ų | 94.1 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 178.1 | -58.1 | -47.8 | 0 | 0 | 0 | 110.6 | A242 T243 V248 S249 | A242-D246 HydrophobicContact CB-CB 4.37Å; T243-D246 WeakPolarHBondContact CB-OD2 3.42Å; T243-D246 PolarHBondContact N-OD2 3.34Å; T243-D246 WeakPolarHBondContact O-CB 2.95Å; T243-D246 PolarHBondContact O-N 2.99Å; T243-D246 PolarHBondContact OG1-N 3.37Å; T243-D246 PolarHBondContact OG1-OD2 3.48Å; D246-V248 PolarHBondContact O-N 3.14Å; D246-S249 PolarHBondContact O-OG 3.37Å; D246-S249 VanDerWaalsContact O-OG 3.11Å |
| 247 | L | 60.6 | Low | 71.9 | Confident | 115 Ų | 115 | 94.3 Ų | 94.3 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.6 | -24.1 | -179.6 | -62.1 | 174 | 0 | 0 | 0 | 114.5 | A242 T243 F244 R245 | A242-L247 HydrophobicContact CB-CD2 4.18Å; A242-L247 HydrophobicContact CB-CG 4.47Å; T243-L247 WeakPolarHBondContact O-CG 3.42Å; T243-L247 PolarHBondContact O-N 2.88Å; T243-L247 VanDerWaalsContact O-N 3.11Å; F244-L247 PolarHBondContact O-N 2.66Å; R245-L247 VanDerWaalsContact C-N 3.25Å; R245-L247 PolarHBondContact O-N 2.78Å |
| 248 | V | 67.4 | Low | 70.7 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -102.9 | -8.7 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | F244 R245 D246 H250 | F244-V248 HydrophobicContact CD1-CG2 4.11Å; F244-V248 HydrophobicContact CE1-CG2 3.71Å; F244-V248 HydrophobicContact CE2-CG2 4.27Å; F244-V248 HydrophobicContact CZ-CG2 3.8Å; F244-V248 VanDerWaalsContact O-CG2 3.31Å; F244-V248 WeakPolarHBondContact O-CG2 3.08Å; F244-V248 PolarHBondContact O-N 2.97Å; R245-V248 PolarHBondContact O-N 3.25Å; D246-V248 PolarHBondContact O-N 3.14Å; V248-H250 PolarHBondContact O-N 2.9Å |
| 249 | S | 56.9 | Low | 69.3 | Low | 89 Ų | 89 | 104.1 Ų | 104.1 | 62% | 0.622 | 54% | 0.537 | S | S | * | . | trans | -80.6 | 16.9 | -178.2 | 66.2 | 0 | 0 | 0 | 0 | 115.9 | R245 D246 | R245-S249 WeakPolarHBondContact O-CB 3.18Å; R245-S249 PolarHBondContact O-N 3.28Å; R245-S249 VanDerWaalsContact O-N 3.1Å; R245-S249 PolarHBondContact O-OG 2.04Å; D246-S249 PolarHBondContact O-OG 3.37Å; D246-S249 VanDerWaalsContact O-OG 3.11Å | ||
| 250 | H | 45.4 | Very low | 68 | Low | 229 Ų | 229 | 105.5 Ų | 105.5 | 100% | 1.06 | 53% | 0.533 | S | S | * | . | trans | -106.8 | 0 | 174 | -67.8 | -58.4 | 0 | 0 | 0 | 111.1 | V248 | V248-H250 PolarHBondContact O-N 2.9Š|
Retrieved 250 of 250 residues in 460.6 ms
(Link to these results)