| 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 | 85.1 | Confident | 89.7 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 71% | 0.709 | 40% | 0.397 | S | S | * | . | 0 | 137.5 | 0 | -70.8 | 172.5 | 176.9 | 0 | 0 | 109.3 | N76 N82 Y85 | M1-N76 PolarHBondContact O-ND2 3.41Å; M1-N82 HydrophobicContact CB-CB 4.28Å; M1-Y85 HydrophobicContact CE-CD1 3.97Å; M1-Y85 HydrophobicContact CE-CD2 4.13Å; M1-Y85 HydrophobicContact CE-CE1 3.73Å; M1-Y85 HydrophobicContact CE-CE2 3.9Å; M1-Y85 HydrophobicContact CE-CG 4.14Å; M1-Y85 HydrophobicContact SD-CD1 4.11Å; M1-Y85 HydrophobicContact SD-CD2 3.24Å; M1-Y85 WeakPolarHBondContact SD-CD2 3.18Å; M1-Y85 HydrophobicContact SD-CE1 4.15Å; M1-Y85 HydrophobicContact SD-CE2 3.29Å; M1-Y85 WeakPolarHBondContact SD-CE2 3.48Å; M1-Y85 HydrophobicContact SD-CG 3.65Å | |||
| 2 | H | 92.6 | Very high | 89.1 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 38% | 0.384 | 43% | 0.432 | S | S | . | . | trans | -66.6 | 126 | -178.4 | -173 | -87.4 | 0 | 0 | 0 | 111.3 | G4 Y5 R81 | H2-G4 VanDerWaalsContact C-N 3.34Å; H2-G4 WeakPolarHBondContact ND1-CA 3.42Å; H2-G4 PolarHBondContact ND1-N 3.36Å; H2-Y5 AromaticContact CD2-CD2 3.54Å; H2-Y5 PolarHBondContact CE1-N 3.48Å; H2-Y5 AromaticContact NE2-CD2 3.36Å; H2-Y5 WeakPolarHBondContact NE2-CD2 3.48Å; H2-Y5 AromaticContact NE2-CG 3.86Å; H2-R81 WeakPolarHBondContact O-CB 3.17Å | ||
| 3 | P | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | trans | -78.1 | -18.4 | -176.6 | 30.8 | -35.5 | 0 | 0 | 0 | 114.2 | Y5 I64 C77 G79 K80 R81 | P3-Y5 HydrophobicContact CG-CD1 3.93Å; P3-Y5 HydrophobicContact CG-CD2 4.05Å; P3-Y5 HydrophobicContact CG-CE1 3.56Å; P3-Y5 HydrophobicContact CG-CE2 3.68Å; P3-Y5 HydrophobicContact CG-CG 4.15Å; P3-Y5 VanDerWaalsContact CG-CZ 3.4Å; P3-I64 HydrophobicContact CB-CG2 3.92Å; P3-I64 HydrophobicContact CG-CD1 4.38Å; P3-I64 HydrophobicContact CG-CG2 4.31Å; P3-C77 HydrophobicContact CB-CB 3.96Å; P3-C77 WeakPolarHBondContact CB-O 3.45Å; P3-C77 HydrophobicContact CG-CB 4Å; P3-G79 CarbonylContact O-C 3.43Å; P3-K80 PolarHBondContact O-N 3.42Å; P3-R81 PolarHBondContact O-N 2.92Å | ||
| 4 | G | 94.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 6% | 0.062 | 43% | 0.427 | C | S | . | . | trans | 109.9 | 43.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H2 Y6 D65 | H2-G4 VanDerWaalsContact C-N 3.34Å; H2-G4 WeakPolarHBondContact ND1-CA 3.42Å; H2-G4 PolarHBondContact ND1-N 3.36Å; G4-Y6 PolarHBondContact O-N 3.42Å; G4-D65 PolarHBondContact O-N 2.83Å | ||
| 5 | Y | 95.3 | Very high | 87.2 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 28% | 0.282 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -55.3 | 129.5 | 168.6 | -59.1 | -58.5 | 0 | 0 | 0 | 110.3 | H2 P3 C60 H62 C63 I64 N76 | H2-Y5 AromaticContact CD2-CD2 3.54Å; H2-Y5 PolarHBondContact CE1-N 3.48Å; H2-Y5 AromaticContact NE2-CD2 3.36Å; H2-Y5 WeakPolarHBondContact NE2-CD2 3.48Å; H2-Y5 AromaticContact NE2-CG 3.86Å; P3-Y5 HydrophobicContact CG-CD1 3.93Å; P3-Y5 HydrophobicContact CG-CD2 4.05Å; P3-Y5 HydrophobicContact CG-CE1 3.56Å; P3-Y5 HydrophobicContact CG-CE2 3.68Å; P3-Y5 HydrophobicContact CG-CG 4.15Å; P3-Y5 VanDerWaalsContact CG-CZ 3.4Å; Y5-C60 HydrophobicContact CE1-CB 3.84Å; Y5-H62 HydrophobicContact CD1-CB 3.43Å; Y5-H62 VanDerWaalsContact CD1-CB 3.43Å; Y5-H62 AromaticContact CD1-CG 3.95Å; Y5-H62 HydrophobicContact CE1-CB 4.08Å; Y5-H62 HydrophobicContact CG-CB 4.2Å; Y5-C63 WeakPolarHBondContact CA-O 3.44Å; Y5-I64 HydrophobicContact CD1-CD1 3.17Å; Y5-I64 HydrophobicContact CE1-CD1 3.28Å; Y5-I64 HydrophobicContact CG-CD1 4.38Å; Y5-N76 PolarHBondContact OH-OD1 2.87Å |
| 6 | Y | 94.4 | Very high | 86.4 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 143.2 | 164 | -80.8 | -79.7 | 0 | 0 | 0 | 109.9 | G4 F48 P51 C54 C63 D65 | G4-Y6 PolarHBondContact O-N 3.42Å; Y6-F48 HydrophobicContact CD2-CZ 4.41Å; Y6-F48 AromaticContact CG-CZ 3.96Å; Y6-F48 HydrophobicContact CG-CZ 3.96Å; Y6-P51 HydrophobicContact CE1-CG 4.03Å; Y6-P51 HydrophobicContact CE2-CG 4.14Å; Y6-C54 HydrophobicContact CE2-CB 4.12Å; Y6-C63 HydrophobicContact CD2-CB 4.29Å; Y6-C63 PolarHBondContact N-O 3.34Å; Y6-D65 HydrophobicContact CD2-CB 4.21Å; Y6-D65 HydrophobicContact CE2-CB 3.45Å; Y6-D65 VanDerWaalsContact CE2-CB 3.45Å; Y6-D65 VanDerWaalsContact OH-CG 3.27Å; Y6-D65 PolarHBondContact OH-OD1 3.17Å; Y6-D65 VanDerWaalsContact OH-OD1 3.04Å |
| 7 | A | 90.6 | Very high | 85.7 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 165.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F48 | A7-F48 VanDerWaalsContact O-CE1 3.26Å; A7-F48 WeakPolarHBondContact O-CE1 3.49Å |
| 8 | M | 89.6 | Confident | 85.1 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 151.5 | 167.5 | -66.9 | -178.1 | 169.2 | 0 | 0 | 110.4 | ||
| 9 | G | 84.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 5% | 0.052 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E13 K14 C46 | G9-E13 VanDerWaalsContact CA-OE2 3.24Å; G9-E13 WeakPolarHBondContact CA-OE2 3.31Å; G9-K14 WeakPolarHBondContact O-CE 3.12Å; G9-C46 PolarHBondContact N-O 3.1Å |
| 10 | V | 87.1 | Confident | 83.8 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 53% | 0.527 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 162.8 | 176.8 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | G12 E13 K14 | V10-G12 PolarHBondContact O-N 2.9Å; V10-E13 HydrophobicContact CG2-CB 4.39Å; V10-E13 HydrophobicContact CG2-CG 3.78Å; V10-E13 PolarHBondContact N-OE2 3.02Å; V10-E13 VanDerWaalsContact N-OE2 3.08Å; V10-E13 WeakPolarHBondContact O-CA 3.28Å; V10-E13 WeakPolarHBondContact O-CB 3.47Å; V10-E13 PolarHBondContact O-N 3.2Å; V10-K14 WeakPolarHBondContact O-CG 3.43Å; V10-K14 PolarHBondContact O-N 3.29Å |
| 11 | P | 79.1 | Confident | 83.1 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 77% | 0.766 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -34.6 | -174.6 | -31.4 | 37 | 0 | 0 | 0 | 115.8 | ||
| 12 | G | 81.6 | Confident | 82.3 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 81% | 0.814 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V10 | V10-G12 PolarHBondContact O-N 2.9Š|
| 13 | E | 82.6 | Confident | 80.9 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -25.5 | 174.2 | -62.1 | 176 | 147.4 | 0 | 0 | 111.8 | G9 V10 R42 E47 F48 | G9-E13 VanDerWaalsContact CA-OE2 3.24Å; G9-E13 WeakPolarHBondContact CA-OE2 3.31Å; V10-E13 HydrophobicContact CG2-CB 4.39Å; V10-E13 HydrophobicContact CG2-CG 3.78Å; V10-E13 PolarHBondContact N-OE2 3.02Å; V10-E13 VanDerWaalsContact N-OE2 3.08Å; V10-E13 WeakPolarHBondContact O-CA 3.28Å; V10-E13 WeakPolarHBondContact O-CB 3.47Å; V10-E13 PolarHBondContact O-N 3.2Å; E13-R42 PolarHBondContact O-NH2 3.44Å; E13-E47 CarbonylContact C-O 3.53Å; E13-E47 VanDerWaalsContact O-O 3.05Å; E13-F48 HydrophobicContact CB-CB 4.19Å |
| 14 | K | 82.6 | Confident | 79.4 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -65.1 | 151.5 | 178.3 | -70.7 | -172.4 | 179.6 | -138.2 | 0 | 111.1 | G9 V10 T16 E47 | G9-K14 WeakPolarHBondContact O-CE 3.12Å; V10-K14 WeakPolarHBondContact O-CG 3.43Å; V10-K14 PolarHBondContact O-N 3.29Å; K14-T16 PolarHBondContact O-N 2.86Å; K14-E47 VanDerWaalsContact CD-OE2 3.27Å; K14-E47 WeakPolarHBondContact CD-OE2 3.34Å; K14-E47 WeakPolarHBondContact CE-OE2 3.5Å; K14-E47 HydrophobicContact CG-CB 3.91Å; K14-E47 IonicContact NZ-OE2 3.55Å; K14-E47 PolarHBondContact NZ-OE2 3.48Å |
| 15 | M | 73.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 88 Ų | 88 | 13% | 0.133 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 121.6 | -173.2 | -159.4 | 160.8 | 173.9 | 0 | 0 | 110 | E19 K20 N25 R42 | M15-E19 WeakPolarHBondContact CA-OE2 3.35Å; M15-E19 HydrophobicContact CE-CB 3.79Å; M15-E19 WeakPolarHBondContact CE-O 3.33Å; M15-E19 HydrophobicContact CG-CB 3.62Å; M15-E19 WeakPolarHBondContact CG-OE2 3.39Å; M15-K20 HydrophobicContact CB-CD 4.46Å; M15-K20 HydrophobicContact CB-CG 3.88Å; M15-K20 HydrophobicContact CE-CG 4.25Å; M15-K20 HydrophobicContact CG-CG 3.58Å; M15-K20 WeakPolarHBondContact O-CE 3.3Å; M15-K20 HydrophobicContact SD-CG 3.97Å; M15-N25 HydrophobicContact CE-CB 4.31Å; M15-N25 VanDerWaalsContact CE-ND2 3.32Å; M15-N25 WeakPolarHBondContact CE-ND2 3.48Å; M15-N25 WeakPolarHBondContact CE-OD1 3.49Å; M15-R42 VanDerWaalsContact CB-CZ 3.49Å; M15-R42 VanDerWaalsContact CB-NH2 3.26Å; M15-R42 PolarHBondContact SD-NH1 3.08Å; M15-R42 VanDerWaalsContact SD-NH1 3.36Å |
| 16 | T | 75.4 | Confident | 76.6 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 156.3 | 176.7 | 72.7 | 0 | 0 | 0 | 0 | 109.7 | K14 V18 E19 K20 | K14-T16 PolarHBondContact O-N 2.86Å; T16-V18 PolarHBondContact O-N 3.16Å; T16-E19 PolarHBondContact N-OE2 3.37Å; T16-E19 PolarHBondContact O-N 3.43Å; T16-E19 WeakPolarHBondContact OG1-CG 3.43Å; T16-E19 PolarHBondContact OG1-N 2.97Å; T16-E19 VanDerWaalsContact OG1-N 3.14Å; T16-K20 PolarHBondContact O-N 3.32Å |
| 17 | A | 74.1 | Confident | 75.9 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 74% | 0.744 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55.5 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K20 G21 | A17-K20 PolarHBondContact O-N 3.04Å; A17-G21 PolarHBondContact O-N 3.39Å; A17-G21 VanDerWaalsContact O-N 3.09Å |
| 18 | V | 73.9 | Confident | 75.8 | Confident | 123 Ų | 123 | 91 Ų | 91 | 75% | 0.745 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | T16 K20 G21 S22 | T16-V18 PolarHBondContact O-N 3.16Å; V18-K20 VanDerWaalsContact C-N 3.3Å; V18-K20 PolarHBondContact O-N 3.36Å; V18-G21 PolarHBondContact O-N 3.48Å; V18-S22 PolarHBondContact O-N 2.9Å; V18-S22 VanDerWaalsContact O-N 3.12Å |
| 19 | E | 72.9 | Confident | 75.7 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.6 | -71.9 | -177.4 | 162.2 | 0 | 0 | 111.1 | M15 T16 G21 S22 R42 | M15-E19 WeakPolarHBondContact CA-OE2 3.35Å; M15-E19 HydrophobicContact CE-CB 3.79Å; M15-E19 WeakPolarHBondContact CE-O 3.33Å; M15-E19 HydrophobicContact CG-CB 3.62Å; M15-E19 WeakPolarHBondContact CG-OE2 3.39Å; T16-E19 PolarHBondContact N-OE2 3.37Å; T16-E19 PolarHBondContact O-N 3.43Å; T16-E19 WeakPolarHBondContact OG1-CG 3.43Å; T16-E19 PolarHBondContact OG1-N 2.97Å; T16-E19 VanDerWaalsContact OG1-N 3.14Å; E19-G21 VanDerWaalsContact C-N 3.27Å; E19-G21 PolarHBondContact O-N 3.14Å; E19-S22 WeakPolarHBondContact O-CB 3.31Å; E19-S22 PolarHBondContact O-N 3.14Å; E19-R42 IonicContact OE2-CZ 3.81Å; E19-R42 IonicContact OE2-NH1 2.82Å; E19-R42 PolarHBondContact OE2-NH1 3.02Å; E19-R42 IonicContact OE2-NH2 3.34Å |
| 20 | K | 71.3 | Confident | 76 | Confident | 119 Ų | 119 | 93.6 Ų | 93.6 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | -179.2 | -71.3 | -171.3 | -179.9 | -174.1 | 0 | 111.5 | M15 T16 A17 V18 E47 | M15-K20 HydrophobicContact CB-CD 4.46Å; M15-K20 HydrophobicContact CB-CG 3.88Å; M15-K20 HydrophobicContact CE-CG 4.25Å; M15-K20 HydrophobicContact CG-CG 3.58Å; M15-K20 WeakPolarHBondContact O-CE 3.3Å; M15-K20 HydrophobicContact SD-CG 3.97Å; T16-K20 PolarHBondContact O-N 3.32Å; A17-K20 PolarHBondContact O-N 3.04Å; V18-K20 VanDerWaalsContact C-N 3.3Å; V18-K20 PolarHBondContact O-N 3.36Å; K20-E47 IonicContact NZ-OE1 2.93Å; K20-E47 PolarHBondContact NZ-OE1 2.83Å; K20-E47 VanDerWaalsContact NZ-OE1 3.17Å |
| 21 | G | 69.3 | Low | 76.2 | Confident | 64 Ų | 64 | 91.3 Ų | 91.3 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -82.9 | -9.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | A17 V18 E19 | A17-G21 PolarHBondContact O-N 3.39Å; A17-G21 VanDerWaalsContact O-N 3.09Å; V18-G21 PolarHBondContact O-N 3.48Å; E19-G21 VanDerWaalsContact C-N 3.27Å; E19-G21 PolarHBondContact O-N 3.14Å |
| 22 | S | 68.9 | Low | 76.9 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | trans | -67.7 | 127.1 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | V18 E19 R24 N25 | V18-S22 PolarHBondContact O-N 2.9Å; V18-S22 VanDerWaalsContact O-N 3.12Å; E19-S22 WeakPolarHBondContact O-CB 3.31Å; E19-S22 PolarHBondContact O-N 3.14Å; S22-R24 CarbonylContact O-C 3.55Å; S22-R24 PolarHBondContact O-N 3.42Å; S22-R24 VanDerWaalsContact OG-C 3.24Å; S22-R24 PolarHBondContact OG-N 3.41Å; S22-R24 PolarHBondContact OG-O 3.28Å; S22-N25 PolarHBondContact O-N 2.9Å | ||
| 23 | P | 62.9 | Low | 77.3 | Confident | 138 Ų | 138 | 88.2 Ų | 88.2 | 90% | 0.896 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -62.2 | -26.8 | 173 | 22.2 | -29.5 | 0 | 0 | 0 | 111.5 | N25 | P23-N25 VanDerWaalsContact C-N 3.35Å; P23-N25 PolarHBondContact O-N 2.95Å |
| 24 | R | 63.8 | Low | 77.6 | Confident | 215 Ų | 215 | 89.5 Ų | 89.5 | 81% | 0.811 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -93.7 | 69.7 | 163.9 | -64.8 | -177.4 | -176.9 | 174.2 | 1.6 | 108.7 | S22 V26 | S22-R24 CarbonylContact O-C 3.55Å; S22-R24 PolarHBondContact O-N 3.42Å; S22-R24 VanDerWaalsContact OG-C 3.24Å; S22-R24 PolarHBondContact OG-N 3.41Å; S22-R24 PolarHBondContact OG-O 3.28Å; R24-V26 PolarHBondContact O-N 3.27Å |
| 25 | N | 61.6 | Low | 77.8 | Confident | 63 Ų | 63 | 88.8 Ų | 88.8 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | trans | -54.5 | 114 | 165.1 | -174.3 | -24.9 | 0 | 0 | 0 | 106.8 | M15 S22 P23 M27 | M15-N25 HydrophobicContact CE-CB 4.31Å; M15-N25 VanDerWaalsContact CE-ND2 3.32Å; M15-N25 WeakPolarHBondContact CE-ND2 3.48Å; M15-N25 WeakPolarHBondContact CE-OD1 3.49Å; S22-N25 PolarHBondContact O-N 2.9Å; P23-N25 VanDerWaalsContact C-N 3.35Å; P23-N25 PolarHBondContact O-N 2.95Å; N25-M27 WeakPolarHBondContact O-CG 3.46Å; N25-M27 PolarHBondContact O-N 3.04Å | ||
| 26 | V | 68 | Low | 78.4 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 85.1 | -174.2 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | R24 Y28 Y49 | R24-V26 PolarHBondContact O-N 3.27Å; V26-Y28 VanDerWaalsContact CG1-O 3.26Å; V26-Y28 WeakPolarHBondContact CG1-O 3.42Å; V26-Y28 PolarHBondContact O-N 3.42Å; V26-Y49 VanDerWaalsContact CG1-OH 3.32Å; V26-Y49 WeakPolarHBondContact CG1-OH 3.23Å; V26-Y49 PolarHBondContact O-OH 3.43Å | ||
| 27 | M | 80.5 | Confident | 79.1 | Confident | 91 Ų | 91 | 89 Ų | 89 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | trans | -75.3 | -19.6 | -177.3 | -72.2 | -128.9 | -75.1 | 0 | 0 | 112.2 | N25 K41 R42 | N25-M27 WeakPolarHBondContact O-CG 3.46Å; N25-M27 PolarHBondContact O-N 3.04Å; M27-K41 WeakPolarHBondContact O-CA 3.26Å; M27-R42 PolarHBondContact O-N 3.47Å | ||
| 28 | Y | 87.7 | Confident | 79.8 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.4 | -174.7 | -61.4 | -76.5 | 0 | 0 | 0 | 111.7 | V26 R39 L40 K41 | V26-Y28 VanDerWaalsContact CG1-O 3.26Å; V26-Y28 WeakPolarHBondContact CG1-O 3.42Å; V26-Y28 PolarHBondContact O-N 3.42Å; Y28-R39 HydrophobicContact CD1-CB 4.39Å; Y28-L40 CarbonylContact C-O 3.38Å; Y28-L40 VanDerWaalsContact CA-O 3.26Å; Y28-L40 WeakPolarHBondContact CA-O 3.38Å; Y28-K41 HydrophobicContact CD1-CB 4.33Å; Y28-K41 HydrophobicContact CE1-CB 4.09Å; Y28-K41 HydrophobicContact CE1-CD 4.34Å; Y28-K41 HydrophobicContact CE1-CG 4.14Å |
| 29 | K | 88.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 89 Ų | 89 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.2 | 170.1 | 179.6 | -178.8 | -176.5 | -179.6 | 0 | 108.3 | L40 Y49 | K29-L40 PolarHBondContact N-O 3.34Å; K29-L40 WeakPolarHBondContact O-CB 3.31Å; K29-L40 PolarHBondContact O-N 2.94Å; K29-Y49 HydrophobicContact CB-CD1 3.64Å; K29-Y49 HydrophobicContact CB-CE1 3.58Å; K29-Y49 HydrophobicContact CB-CG 4.26Å; K29-Y49 HydrophobicContact CD-CD2 4.39Å; K29-Y49 HydrophobicContact CD-CG 4.34Å |
| 30 | S | 90.1 | Very high | 81.5 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 137 | 175.6 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 31 | V | 92 | Very high | 82.5 | Confident | 39 Ų | 39 | 85.1 Ų | 85.1 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.3 | 174.1 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | I33 T38 L40 | V31-I33 HydrophobicContact CG2-CD1 4.15Å; V31-I33 HydrophobicContact CG2-CG1 4.06Å; V31-T38 PolarHBondContact N-O 2.92Å; V31-T38 PolarHBondContact O-N 2.91Å; V31-L40 HydrophobicContact CB-CD1 4.45Å; V31-L40 HydrophobicContact CG1-CD1 3.68Å; V31-L40 HydrophobicContact CG1-CG 4.12Å; V31-L40 HydrophobicContact CG2-CD1 3.86Å; V31-L40 HydrophobicContact CG2-CD2 3.85Å; V31-L40 HydrophobicContact CG2-CG 3.7Å |
| 32 | D | 92.6 | Very high | 83.5 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 133.5 | 171.6 | -173.6 | -96.4 | 0 | 0 | 0 | 110.5 | G35 V36 | D32-G35 WeakPolarHBondContact OD1-CA 3.35Å; D32-G35 PolarHBondContact OD1-N 3.46Å; D32-G35 VanDerWaalsContact OD2-CA 3.25Å; D32-G35 WeakPolarHBondContact OD2-CA 3.3Å; D32-V36 PolarHBondContact OD2-N 2.92Å |
| 33 | I | 90.5 | Very high | 84.6 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 98 | 177.3 | -50.8 | -179.2 | 0 | 0 | 0 | 108.1 | V31 G35 V36 T38 P52 P168 Y169 | V31-I33 HydrophobicContact CG2-CD1 4.15Å; V31-I33 HydrophobicContact CG2-CG1 4.06Å; I33-G35 VanDerWaalsContact C-N 3.28Å; I33-G35 PolarHBondContact O-N 3.39Å; I33-V36 PolarHBondContact N-O 3.41Å; I33-V36 WeakPolarHBondContact O-CB 3.41Å; I33-V36 PolarHBondContact O-N 3.36Å; I33-T38 HydrophobicContact CD1-CG2 4.1Å; I33-P52 HydrophobicContact CD1-CB 3.52Å; I33-P52 HydrophobicContact CD1-CG 3.46Å; I33-P52 VanDerWaalsContact CD1-CG 3.46Å; I33-P168 HydrophobicContact CG2-CB 4.24Å; I33-P168 HydrophobicContact CG2-CG 4.23Å; I33-P168 WeakPolarHBondContact O-CB 3.42Å; I33-Y169 VanDerWaalsContact CD1-OH 3.29Å; I33-Y169 WeakPolarHBondContact CD1-OH 3.41Å; I33-Y169 HydrophobicContact CG2-CE1 4.45Å |
| 34 | I | 89.3 | Confident | 85.8 | Confident | 124 Ų | 124 | 79.9 Ų | 79.9 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 46 | -179.7 | -43.4 | 180 | 0 | 0 | 0 | 110.5 | V36 P168 | I34-V36 VanDerWaalsContact C-N 3.27Å; I34-V36 PolarHBondContact O-N 2.98Å; I34-P168 HydrophobicContact CB-CB 4.25Å; I34-P168 HydrophobicContact CD1-CB 4.47Å; I34-P168 WeakPolarHBondContact CD1-O 3.27Å |
| 35 | G | 85.7 | Confident | 87.1 | Confident | 62 Ų | 62 | 73 Ų | 73 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 2.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | D32 I33 | D32-G35 WeakPolarHBondContact OD1-CA 3.35Å; D32-G35 PolarHBondContact OD1-N 3.46Å; D32-G35 VanDerWaalsContact OD2-CA 3.25Å; D32-G35 WeakPolarHBondContact OD2-CA 3.3Å; I33-G35 VanDerWaalsContact C-N 3.28Å; I33-G35 PolarHBondContact O-N 3.39Å |
| 36 | V | 87.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.8 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | D32 I33 I34 T38 M166 P168 | D32-V36 PolarHBondContact OD2-N 2.92Å; I33-V36 PolarHBondContact N-O 3.41Å; I33-V36 WeakPolarHBondContact O-CB 3.41Å; I33-V36 PolarHBondContact O-N 3.36Å; I34-V36 VanDerWaalsContact C-N 3.27Å; I34-V36 PolarHBondContact O-N 2.98Å; V36-T38 PolarHBondContact O-N 3.43Å; V36-T38 VanDerWaalsContact O-N 3.15Å; V36-T38 PolarHBondContact O-OG1 2.88Å; V36-M166 HydrophobicContact CG2-CB 4.43Å; V36-M166 HydrophobicContact CG2-CE 3.59Å; V36-P168 HydrophobicContact CB-CB 4.43Å; V36-P168 HydrophobicContact CB-CG 4.33Å; V36-P168 HydrophobicContact CG2-CB 4.1Å; V36-P168 HydrophobicContact CG2-CG 4.35Å |
| 37 | S | 89 | Confident | 89.6 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 109.2 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 111 | ||
| 38 | T | 89.6 | Confident | 90.1 | Very high | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.104 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.3 | -178.2 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | V31 I33 V36 L40 | V31-T38 PolarHBondContact N-O 2.92Å; V31-T38 PolarHBondContact O-N 2.91Å; I33-T38 HydrophobicContact CD1-CG2 4.1Å; V36-T38 PolarHBondContact O-N 3.43Å; V36-T38 VanDerWaalsContact O-N 3.15Å; V36-T38 PolarHBondContact O-OG1 2.88Å; T38-L40 HydrophobicContact CG2-CD2 4.25Å |
| 39 | R | 90.2 | Very high | 90.4 | Very high | 194 Ų | 194 | 62.1 Ų | 62.1 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112 | 174.8 | -64.4 | -176.2 | -179.3 | -173.9 | 0.9 | 110.9 | Y28 | Y28-R39 HydrophobicContact CD1-CB 4.39Å |
| 40 | L | 92 | Very high | 90.7 | Very high | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 127.9 | 173.3 | -54.5 | -173 | 0 | 0 | 0 | 110.1 | Y28 K29 V31 T38 P52 | Y28-L40 CarbonylContact C-O 3.38Å; Y28-L40 VanDerWaalsContact CA-O 3.26Å; Y28-L40 WeakPolarHBondContact CA-O 3.38Å; K29-L40 PolarHBondContact N-O 3.34Å; K29-L40 WeakPolarHBondContact O-CB 3.31Å; K29-L40 PolarHBondContact O-N 2.94Å; V31-L40 HydrophobicContact CB-CD1 4.45Å; V31-L40 HydrophobicContact CG1-CD1 3.68Å; V31-L40 HydrophobicContact CG1-CG 4.12Å; V31-L40 HydrophobicContact CG2-CD1 3.86Å; V31-L40 HydrophobicContact CG2-CD2 3.85Å; V31-L40 HydrophobicContact CG2-CG 3.7Å; T38-L40 HydrophobicContact CG2-CD2 4.25Å; L40-P52 HydrophobicContact CD2-CG 4.14Å |
| 41 | K | 91.8 | Very high | 90.9 | Very high | 92 Ų | 92 | 57 Ų | 57 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 137.2 | 174.9 | -175.1 | 170.9 | -179.9 | 170.9 | 0 | 110.4 | M27 Y28 R50 | M27-K41 WeakPolarHBondContact O-CA 3.26Å; Y28-K41 HydrophobicContact CD1-CB 4.33Å; Y28-K41 HydrophobicContact CE1-CB 4.09Å; Y28-K41 HydrophobicContact CE1-CD 4.34Å; Y28-K41 HydrophobicContact CE1-CG 4.14Å; K41-R50 VanDerWaalsContact O-CB 3.29Å; K41-R50 WeakPolarHBondContact O-CB 3.42Å; K41-R50 VanDerWaalsContact O-CG 3.27Å; K41-R50 WeakPolarHBondContact O-CG 3.49Å; K41-R50 PolarHBondContact O-N 3.4Å |
| 42 | R | 90.6 | Very high | 91 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 138.7 | 171.4 | -161.4 | 174.3 | -168.5 | 157.3 | 11.1 | 111.6 | E13 M15 E19 M27 Y49 | E13-R42 PolarHBondContact O-NH2 3.44Å; M15-R42 VanDerWaalsContact CB-CZ 3.49Å; M15-R42 VanDerWaalsContact CB-NH2 3.26Å; M15-R42 PolarHBondContact SD-NH1 3.08Å; M15-R42 VanDerWaalsContact SD-NH1 3.36Å; E19-R42 IonicContact OE2-CZ 3.81Å; E19-R42 IonicContact OE2-NH1 2.82Å; E19-R42 PolarHBondContact OE2-NH1 3.02Å; E19-R42 IonicContact OE2-NH2 3.34Å; M27-R42 PolarHBondContact O-N 3.47Å; R42-Y49 HydrophobicContact CB-CD1 4Å; R42-Y49 HydrophobicContact CB-CE1 4.01Å; R42-Y49 HydrophobicContact CG-CD1 4.43Å; R42-Y49 HydrophobicContact CG-CE1 4.47Å |
| 43 | C | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 119.3 | 167.7 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | C46 E47 F48 R50 C63 | C43-C46 HydrophobicContact CB-CB 4.06Å; C43-C46 PolarHBondContact SG-N 3.4Å; C43-E47 VanDerWaalsContact O-CA 3.27Å; C43-E47 WeakPolarHBondContact O-CA 3.27Å; C43-E47 PolarHBondContact O-N 2.89Å; C43-F48 PolarHBondContact N-O 2.72Å; C43-R50 HydrophobicContact CB-CG 4Å; C43-C63 PolarHBondContact SG-SG 3Å |
| 44 | V | 88.3 | Confident | 91.4 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 72% | 0.721 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -41.4 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | E47 | V44-E47 WeakPolarHBondContact O-CG 3.37Š|
| 45 | T | 90.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -45.2 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | E47 Y56 | T45-E47 VanDerWaalsContact C-N 3.35Å; T45-Y56 HydrophobicContact CG2-CE2 3.91Å |
| 46 | C | 91.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.8 | -179.2 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | G9 C43 F48 | G9-C46 PolarHBondContact N-O 3.1Å; C43-C46 HydrophobicContact CB-CB 4.06Å; C43-C46 PolarHBondContact SG-N 3.4Å; C46-F48 VanDerWaalsContact C-N 3.33Å; C46-F48 HydrophobicContact CB-CD1 3.6Å; C46-F48 HydrophobicContact CB-CE1 3.23Å; C46-F48 HydrophobicContact CB-CZ 4.03Å; C46-F48 VanDerWaalsContact O-CD1 3.26Å; C46-F48 WeakPolarHBondContact O-CD1 3.27Å; C46-F48 PolarHBondContact O-N 3.21Å |
| 47 | E | 90.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 48 Ų | 48 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | trans | 59 | 27.4 | 176.9 | -58.7 | -170.8 | 117.4 | 0 | 0 | 116.5 | E13 K14 K20 C43 V44 T45 | E13-E47 CarbonylContact C-O 3.53Å; E13-E47 VanDerWaalsContact O-O 3.05Å; K14-E47 VanDerWaalsContact CD-OE2 3.27Å; K14-E47 WeakPolarHBondContact CD-OE2 3.34Å; K14-E47 WeakPolarHBondContact CE-OE2 3.5Å; K14-E47 HydrophobicContact CG-CB 3.91Å; K14-E47 IonicContact NZ-OE2 3.55Å; K14-E47 PolarHBondContact NZ-OE2 3.48Å; K20-E47 IonicContact NZ-OE1 2.93Å; K20-E47 PolarHBondContact NZ-OE1 2.83Å; K20-E47 VanDerWaalsContact NZ-OE1 3.17Å; C43-E47 VanDerWaalsContact O-CA 3.27Å; C43-E47 WeakPolarHBondContact O-CA 3.27Å; C43-E47 PolarHBondContact O-N 2.89Å; V44-E47 WeakPolarHBondContact O-CG 3.37Å; T45-E47 VanDerWaalsContact C-N 3.35Å | ||
| 48 | F | 92.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -134.8 | 164.7 | 174.1 | 66.3 | -99.9 | 0 | 0 | 0 | 113 | Y6 A7 E13 C43 C46 R50 C63 | Y6-F48 HydrophobicContact CD2-CZ 4.41Å; Y6-F48 AromaticContact CG-CZ 3.96Å; Y6-F48 HydrophobicContact CG-CZ 3.96Å; A7-F48 VanDerWaalsContact O-CE1 3.26Å; A7-F48 WeakPolarHBondContact O-CE1 3.49Å; E13-F48 HydrophobicContact CB-CB 4.19Å; C43-F48 PolarHBondContact N-O 2.72Å; C46-F48 VanDerWaalsContact C-N 3.33Å; C46-F48 HydrophobicContact CB-CD1 3.6Å; C46-F48 HydrophobicContact CB-CE1 3.23Å; C46-F48 HydrophobicContact CB-CZ 4.03Å; C46-F48 VanDerWaalsContact O-CD1 3.26Å; C46-F48 WeakPolarHBondContact O-CD1 3.27Å; C46-F48 PolarHBondContact O-N 3.21Å; F48-R50 PolarHBondContact O-N 2.9Å; F48-C63 HydrophobicContact CE1-CB 4.4Å; F48-C63 HydrophobicContact CE2-CB 4.4Å; F48-C63 HydrophobicContact CZ-CB 3.61Å |
| 49 | Y | 92.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 116.8 | 171 | -75.7 | -83.1 | 0 | 0 | 0 | 110.7 | V26 K29 R42 P51 | V26-Y49 VanDerWaalsContact CG1-OH 3.32Å; V26-Y49 WeakPolarHBondContact CG1-OH 3.23Å; V26-Y49 PolarHBondContact O-OH 3.43Å; K29-Y49 HydrophobicContact CB-CD1 3.64Å; K29-Y49 HydrophobicContact CB-CE1 3.58Å; K29-Y49 HydrophobicContact CB-CG 4.26Å; K29-Y49 HydrophobicContact CD-CD2 4.39Å; K29-Y49 HydrophobicContact CD-CG 4.34Å; R42-Y49 HydrophobicContact CB-CD1 4Å; R42-Y49 HydrophobicContact CB-CE1 4.01Å; R42-Y49 HydrophobicContact CG-CD1 4.43Å; R42-Y49 HydrophobicContact CG-CE1 4.47Å; Y49-P51 WeakPolarHBondContact O-CD 3.41Å |
| 50 | R | 94.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 124.2 | -175.6 | -65.7 | 172.4 | -173.7 | 167.6 | 4.7 | 109.8 | K41 C43 F48 C54 Y56 | K41-R50 VanDerWaalsContact O-CB 3.29Å; K41-R50 WeakPolarHBondContact O-CB 3.42Å; K41-R50 VanDerWaalsContact O-CG 3.27Å; K41-R50 WeakPolarHBondContact O-CG 3.49Å; K41-R50 PolarHBondContact O-N 3.4Å; C43-R50 HydrophobicContact CB-CG 4Å; F48-R50 PolarHBondContact O-N 2.9Å; R50-C54 HydrophobicContact CB-CB 4.2Å; R50-Y56 VanDerWaalsContact NH2-CB 3.29Å |
| 51 | P | 94.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -54 | 161.7 | 172 | -30.1 | 37.3 | 0 | 0 | 0 | 111.7 | Y6 Y49 R53 C54 | Y6-P51 HydrophobicContact CE1-CG 4.03Å; Y6-P51 HydrophobicContact CE2-CG 4.14Å; Y49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-R53 PolarHBondContact O-N 2.88Å; P51-C54 HydrophobicContact CB-CB 4.3Å; P51-C54 WeakPolarHBondContact O-CB 3.28Å; P51-C54 PolarHBondContact O-N 2.92Å |
| 52 | P | 94.2 | Very high | 94.1 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137 | 176.5 | -22.7 | 32 | 0 | 0 | 0 | 111.9 | I33 L40 C54 Y169 | I33-P52 HydrophobicContact CD1-CB 3.52Å; I33-P52 HydrophobicContact CD1-CG 3.46Å; I33-P52 VanDerWaalsContact CD1-CG 3.46Å; L40-P52 HydrophobicContact CD2-CG 4.14Å; P52-C54 PolarHBondContact O-N 3.31Å; P52-C54 VanDerWaalsContact O-N 3.14Å; P52-Y169 WeakPolarHBondContact CB-OH 3.12Å |
| 53 | R | 95.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 2.8 | -177.1 | -40.6 | 178.6 | 72.2 | -174.5 | 6.5 | 115.5 | P51 T66 F67 T153 E156 Y169 | P51-R53 PolarHBondContact O-N 2.88Å; R53-T66 HydrophobicContact CB-CG2 4.29Å; R53-T66 CarbonylContact O-C 3.51Å; R53-T66 WeakPolarHBondContact O-CA 3.34Å; R53-F67 PolarHBondContact O-N 3.39Å; R53-T153 VanDerWaalsContact NH2-CG2 3.35Å; R53-E156 WeakPolarHBondContact CG-OE1 3.33Å; R53-E156 IonicContact CZ-OE1 3.49Å; R53-E156 IonicContact CZ-OE2 3.51Å; R53-E156 IonicContact NE-OE1 2.74Å; R53-E156 PolarHBondContact NE-OE1 3.38Å; R53-E156 IonicContact NE-OE2 3.01Å; R53-E156 PolarHBondContact NE-OE2 2.95Å; R53-E156 IonicContact NH2-OE1 2.8Å; R53-E156 IonicContact NH2-OE2 3.74Å; R53-E156 PolarHBondContact NH2-OE2 3.39Å; R53-Y169 HydrophobicContact CG-CD2 4.23Å; R53-Y169 HydrophobicContact CG-CE1 4.17Å; R53-Y169 HydrophobicContact CG-CE2 3.68Å |
| 54 | C | 96.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | trans | -82.2 | 133.9 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | Y6 R50 P51 P52 C63 I64 | Y6-C54 HydrophobicContact CE2-CB 4.12Å; R50-C54 HydrophobicContact CB-CB 4.2Å; P51-C54 HydrophobicContact CB-CB 4.3Å; P51-C54 WeakPolarHBondContact O-CB 3.28Å; P51-C54 PolarHBondContact O-N 2.92Å; P52-C54 PolarHBondContact O-N 3.31Å; P52-C54 VanDerWaalsContact O-N 3.14Å; C54-C63 VanDerWaalsContact SG-CB 3.58Å; C54-I64 WeakPolarHBondContact CA-O 3.29Å; C54-I64 PolarHBondContact SG-O 2.85Å; C54-I64 VanDerWaalsContact SG-O 3.37Å | ||
| 55 | S | 96.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.9 | 173.1 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | I64 | S55-I64 PolarHBondContact N-O 3.25Å; S55-I64 PolarHBondContact O-N 3.47Å |
| 56 | Y | 97.1 | Very high | 95.4 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.4 | 175 | 177.2 | -98.4 | 0 | 0 | 0 | 110.1 | T45 R50 K61 | T45-Y56 HydrophobicContact CG2-CE2 3.91Å; R50-Y56 VanDerWaalsContact NH2-CB 3.29Å; Y56-K61 WeakPolarHBondContact OH-CA 3.28Å; Y56-K61 WeakPolarHBondContact OH-CD 3.34Å |
| 57 | C | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.1 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | I59 C60 K61 H62 I64 F67 C77 | C57-I59 PolarHBondContact O-N 2.9Å; C57-C60 HydrophobicContact CB-CB 4.21Å; C57-C60 PolarHBondContact SG-N 3.05Å; C57-C60 VanDerWaalsContact SG-N 3.44Å; C57-K61 WeakPolarHBondContact O-CA 3.28Å; C57-K61 PolarHBondContact O-N 2.97Å; C57-H62 PolarHBondContact N-O 2.82Å; C57-I64 HydrophobicContact CB-CG1 4.29Å; C57-F67 HydrophobicContact CB-CE2 4.27Å; C57-C77 VanDerWaalsContact CB-SG 3.52Å; C57-C77 PolarHBondContact SG-SG 2.75Å |
| 58 | S | 96.2 | Very high | 96 | Very high | 77 Ų | 77 | 39.5 Ų | 39.5 | 54% | 0.538 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.5 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | K61 | S58-K61 VanDerWaalsContact O-CD 3.23Å; S58-K61 WeakPolarHBondContact O-CD 3.41Å; S58-K61 WeakPolarHBondContact O-CE 3.34Å; S58-K61 PolarHBondContact O-NZ 2.77Å |
| 59 | I | 97.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 41 Ų | 41 | 55% | 0.554 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -54.7 | 177.1 | -57.7 | 168.6 | 0 | 0 | 0 | 109.4 | C57 K61 H70 | C57-I59 PolarHBondContact O-N 2.9Å; I59-K61 VanDerWaalsContact C-N 3.28Å; I59-K61 PolarHBondContact O-N 3.42Å; I59-H70 HydrophobicContact CD1-CB 4.36Å; I59-H70 VanDerWaalsContact CD1-CD2 3.45Å; I59-H70 WeakPolarHBondContact CD1-CD2 3.24Å |
| 60 | C | 95.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.1 | 178.8 | -63.4 | 0 | 0 | 0 | 0 | 114.5 | Y5 C57 H62 H70 C77 | Y5-C60 HydrophobicContact CE1-CB 3.84Å; C57-C60 HydrophobicContact CB-CB 4.21Å; C57-C60 PolarHBondContact SG-N 3.05Å; C57-C60 VanDerWaalsContact SG-N 3.44Å; C60-H62 PolarHBondContact O-N 3.45Å; C60-H62 PolarHBondContact O-ND1 2.79Å; C60-H70 PolarHBondContact SG-ND1 3.42Å; C60-H70 VanDerWaalsContact SG-ND1 3.41Å; C60-C77 PolarHBondContact SG-SG 3.39Å |
| 61 | K | 95.8 | Very high | 96.6 | Very high | 128 Ų | 128 | 37.8 Ų | 37.8 | 56% | 0.557 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 28.7 | -178.8 | -54.6 | -62.7 | -177.1 | -164.2 | 0 | 115.4 | Y56 C57 S58 I59 | Y56-K61 WeakPolarHBondContact OH-CA 3.28Å; Y56-K61 WeakPolarHBondContact OH-CD 3.34Å; C57-K61 WeakPolarHBondContact O-CA 3.28Å; C57-K61 PolarHBondContact O-N 2.97Å; S58-K61 VanDerWaalsContact O-CD 3.23Å; S58-K61 WeakPolarHBondContact O-CD 3.41Å; S58-K61 WeakPolarHBondContact O-CE 3.34Å; S58-K61 PolarHBondContact O-NZ 2.77Å; I59-K61 VanDerWaalsContact C-N 3.28Å; I59-K61 PolarHBondContact O-N 3.42Å |
| 62 | H | 96.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.9 | -178.8 | -71.3 | 86.6 | 0 | 0 | 0 | 111.4 | Y5 C57 C60 I64 | Y5-H62 HydrophobicContact CD1-CB 3.43Å; Y5-H62 VanDerWaalsContact CD1-CB 3.43Å; Y5-H62 AromaticContact CD1-CG 3.95Å; Y5-H62 HydrophobicContact CE1-CB 4.08Å; Y5-H62 HydrophobicContact CG-CB 4.2Å; C57-H62 PolarHBondContact N-O 2.82Å; C60-H62 PolarHBondContact O-N 3.45Å; C60-H62 PolarHBondContact O-ND1 2.79Å; H62-I64 HydrophobicContact CB-CD1 4.3Å |
| 63 | C | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.9 | 164 | -79.1 | 0 | 0 | 0 | 0 | 109.8 | Y5 Y6 C43 F48 C54 | Y5-C63 WeakPolarHBondContact CA-O 3.44Å; Y6-C63 HydrophobicContact CD2-CB 4.29Å; Y6-C63 PolarHBondContact N-O 3.34Å; C43-C63 PolarHBondContact SG-SG 3Å; F48-C63 HydrophobicContact CE1-CB 4.4Å; F48-C63 HydrophobicContact CE2-CB 4.4Å; F48-C63 HydrophobicContact CZ-CB 3.61Å; C54-C63 VanDerWaalsContact SG-CB 3.58Å |
| 64 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.9 | -177.8 | -41.2 | -58.1 | 0 | 0 | 0 | 109.5 | P3 Y5 C54 S55 C57 H62 T66 F67 C77 | P3-I64 HydrophobicContact CB-CG2 3.92Å; P3-I64 HydrophobicContact CG-CD1 4.38Å; P3-I64 HydrophobicContact CG-CG2 4.31Å; Y5-I64 HydrophobicContact CD1-CD1 3.17Å; Y5-I64 HydrophobicContact CE1-CD1 3.28Å; Y5-I64 HydrophobicContact CG-CD1 4.38Å; C54-I64 WeakPolarHBondContact CA-O 3.29Å; C54-I64 PolarHBondContact SG-O 2.85Å; C54-I64 VanDerWaalsContact SG-O 3.37Å; S55-I64 PolarHBondContact N-O 3.25Å; S55-I64 PolarHBondContact O-N 3.47Å; C57-I64 HydrophobicContact CB-CG1 4.29Å; H62-I64 HydrophobicContact CB-CD1 4.3Å; I64-T66 PolarHBondContact O-N 3.31Å; I64-F67 HydrophobicContact CB-CB 4.15Å; I64-F67 HydrophobicContact CB-CD2 3.88Å; I64-F67 HydrophobicContact CG1-CD2 3.78Å; I64-F67 HydrophobicContact CG1-CE2 4.39Å; I64-F67 HydrophobicContact CG2-CD2 4.43Å; I64-C77 HydrophobicContact CD1-CB 4.01Å; I64-C77 HydrophobicContact CG1-CB 3.95Å; I64-C77 HydrophobicContact CG2-CB 4.32Å |
| 65 | D | 96.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 127.3 | 174.3 | -168.3 | 20.8 | 0 | 0 | 0 | 111.8 | G4 Y6 F67 K80 | G4-D65 PolarHBondContact O-N 2.83Å; Y6-D65 HydrophobicContact CD2-CB 4.21Å; Y6-D65 HydrophobicContact CE2-CB 3.45Å; Y6-D65 VanDerWaalsContact CE2-CB 3.45Å; Y6-D65 VanDerWaalsContact OH-CG 3.27Å; Y6-D65 PolarHBondContact OH-OD1 3.17Å; Y6-D65 VanDerWaalsContact OH-OD1 3.04Å; D65-F67 PolarHBondContact O-N 3.03Å; D65-K80 HydrophobicContact CB-CB 4.44Å; D65-K80 WeakPolarHBondContact O-CB 2.86Å; D65-K80 PolarHBondContact O-N 3.49Å; D65-K80 WeakPolarHBondContact OD2-CD 3.33Å; D65-K80 IonicContact OD2-NZ 3.9Å |
| 66 | T | 95.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 62.4 | -173.3 | -48 | 0 | 0 | 0 | 0 | 111.2 | R53 I64 D68 G79 K80 T153 | R53-T66 HydrophobicContact CB-CG2 4.29Å; R53-T66 CarbonylContact O-C 3.51Å; R53-T66 WeakPolarHBondContact O-CA 3.34Å; I64-T66 PolarHBondContact O-N 3.31Å; T66-D68 PolarHBondContact O-N 3.08Å; T66-G79 VanDerWaalsContact O-CA 3.3Å; T66-G79 WeakPolarHBondContact O-CA 3.29Å; T66-K80 PolarHBondContact O-N 3.35Å; T66-T153 HydrophobicContact CG2-CG2 3.76Å |
| 67 | F | 97.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | trans | -62.7 | 126.9 | -174.9 | 174.7 | -100.2 | 0 | 0 | 0 | 111.4 | R53 C57 I64 D65 H69 | R53-F67 PolarHBondContact O-N 3.39Å; C57-F67 HydrophobicContact CB-CE2 4.27Å; I64-F67 HydrophobicContact CB-CB 4.15Å; I64-F67 HydrophobicContact CB-CD2 3.88Å; I64-F67 HydrophobicContact CG1-CD2 3.78Å; I64-F67 HydrophobicContact CG1-CE2 4.39Å; I64-F67 HydrophobicContact CG2-CD2 4.43Å; D65-F67 PolarHBondContact O-N 3.03Å; F67-H69 VanDerWaalsContact CZ-CA 3.43Å | ||
| 68 | D | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | trans | -98.6 | -61.3 | 174.4 | -166 | -96.4 | 0 | 0 | 0 | 111.5 | T66 I78 Y83 T153 T154 S155 | T66-D68 PolarHBondContact O-N 3.08Å; D68-I78 HydrophobicContact CB-CB 4.06Å; D68-I78 HydrophobicContact CB-CG2 3.88Å; D68-I78 PolarHBondContact N-O 3.36Å; D68-Y83 HydrophobicContact CB-CD2 4.08Å; D68-Y83 HydrophobicContact CB-CE2 4.29Å; D68-Y83 VanDerWaalsContact OD2-CE2 3.24Å; D68-Y83 WeakPolarHBondContact OD2-CE2 3.1Å; D68-T153 WeakPolarHBondContact OD2-CA 3.41Å; D68-T153 VanDerWaalsContact OD2-CB 3.3Å; D68-T153 WeakPolarHBondContact OD2-CB 3.27Å; D68-T154 VanDerWaalsContact CG-OG1 3.28Å; D68-T154 VanDerWaalsContact OD1-CB 3.23Å; D68-T154 WeakPolarHBondContact OD1-CB 3.06Å; D68-T154 PolarHBondContact OD1-OG1 3.47Å; D68-T154 PolarHBondContact OD2-N 2.95Å; D68-T154 PolarHBondContact OD2-OG1 3.35Å; D68-S155 WeakPolarHBondContact O-CB 3.34Å; D68-S155 PolarHBondContact O-N 3.39Å; D68-S155 VanDerWaalsContact O-N 3.08Å | ||
| 69 | H | 97.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 172.1 | 173.1 | 64.4 | -82.7 | 0 | 0 | 0 | 111.2 | F67 I78 | F67-H69 VanDerWaalsContact CZ-CA 3.43Å; H69-I78 PolarHBondContact N-O 2.77Å; H69-I78 PolarHBondContact O-N 2.83Å |
| 70 | H | 98.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.5 | 162.3 | -179.9 | 89 | 0 | 0 | 0 | 108.9 | I59 C60 P72 | I59-H70 HydrophobicContact CD1-CB 4.36Å; I59-H70 VanDerWaalsContact CD1-CD2 3.45Å; I59-H70 WeakPolarHBondContact CD1-CD2 3.24Å; C60-H70 PolarHBondContact SG-ND1 3.42Å; C60-H70 VanDerWaalsContact SG-ND1 3.41Å; H70-P72 WeakPolarHBondContact O-CD 3.38Å |
| 71 | C | 97 | Very high | 96.5 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110.3 | -176.6 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | W73 L74 N75 N76 I78 | C71-W73 VanDerWaalsContact C-N 3.31Å; C71-W73 PolarHBondContact O-N 3.25Å; C71-L74 HydrophobicContact CB-CB 4.24Å; C71-L74 HydrophobicContact CB-CD1 4.4Å; C71-L74 PolarHBondContact O-N 2.9Å; C71-L74 VanDerWaalsContact SG-CG 3.6Å; C71-N75 PolarHBondContact O-N 3.41Å; C71-N76 WeakPolarHBondContact CB-O 3.45Å; C71-N76 PolarHBondContact N-O 3.01Å; C71-N76 PolarHBondContact O-N 3.42Å; C71-I78 HydrophobicContact CB-CD1 4.41Å; C71-I78 HydrophobicContact CB-CG1 4.1Å |
| 72 | P | 96.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -35 | -179.2 | -21.6 | 34.4 | 0 | 0 | 0 | 112.5 | H70 L74 N75 | H70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-L74 VanDerWaalsContact C-N 3.29Å; P72-L74 PolarHBondContact O-N 3.49Å; P72-N75 PolarHBondContact O-N 2.93Å; P72-N75 VanDerWaalsContact O-N 3.09Å |
| 73 | W | 92.9 | Very high | 96.4 | Very high | 226 Ų | 226 | 48 Ų | 48 | 86% | 0.856 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.5 | -179.1 | -51.9 | -73.5 | 0 | 0 | 0 | 113 | C71 | C71-W73 VanDerWaalsContact C-N 3.31Å; C71-W73 PolarHBondContact O-N 3.25Å |
| 74 | L | 94.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3.8 | 175.9 | -62.4 | 175.7 | 0 | 0 | 0 | 112.3 | C71 P72 N76 I78 | C71-L74 HydrophobicContact CB-CB 4.24Å; C71-L74 HydrophobicContact CB-CD1 4.4Å; C71-L74 PolarHBondContact O-N 2.9Å; C71-L74 VanDerWaalsContact SG-CG 3.6Å; P72-L74 VanDerWaalsContact C-N 3.29Å; P72-L74 PolarHBondContact O-N 3.49Å; L74-N76 HydrophobicContact CB-CB 4.27Å; L74-N76 WeakPolarHBondContact O-CB 3.09Å; L74-N76 PolarHBondContact O-N 3.49Å; L74-N76 VanDerWaalsContact O-N 3.15Å; L74-I78 HydrophobicContact CD1-CD1 3.97Å |
| 75 | N | 95.7 | Very high | 96 | Very high | 130 Ų | 130 | 55.5 Ų | 55.5 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 43.8 | -169.7 | -169.1 | 26.3 | 0 | 0 | 0 | 112 | C71 P72 | C71-N75 PolarHBondContact O-N 3.41Å; P72-N75 PolarHBondContact O-N 2.93Å; P72-N75 VanDerWaalsContact O-N 3.09Å |
| 76 | N | 97 | Very high | 95.8 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.8 | -170.6 | -168.6 | 18.1 | 0 | 0 | 0 | 111.2 | M1 Y5 C71 L74 | M1-N76 PolarHBondContact O-ND2 3.41Å; Y5-N76 PolarHBondContact OH-OD1 2.87Å; C71-N76 WeakPolarHBondContact CB-O 3.45Å; C71-N76 PolarHBondContact N-O 3.01Å; C71-N76 PolarHBondContact O-N 3.42Å; L74-N76 HydrophobicContact CB-CB 4.27Å; L74-N76 WeakPolarHBondContact O-CB 3.09Å; L74-N76 PolarHBondContact O-N 3.49Å; L74-N76 VanDerWaalsContact O-N 3.15Å |
| 77 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 151.9 | 169 | -75.4 | 0 | 0 | 0 | 0 | 111.3 | P3 C57 C60 I64 N82 | P3-C77 HydrophobicContact CB-CB 3.96Å; P3-C77 WeakPolarHBondContact CB-O 3.45Å; P3-C77 HydrophobicContact CG-CB 4Å; C57-C77 VanDerWaalsContact CB-SG 3.52Å; C57-C77 PolarHBondContact SG-SG 2.75Å; C60-C77 PolarHBondContact SG-SG 3.39Å; I64-C77 HydrophobicContact CD1-CB 4.01Å; I64-C77 HydrophobicContact CG1-CB 3.95Å; I64-C77 HydrophobicContact CG2-CB 4.32Å; C77-N82 PolarHBondContact O-ND2 3.49Å |
| 78 | I | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127 | 162.3 | -52.5 | -58.7 | 0 | 0 | 0 | 107.7 | D68 H69 C71 L74 N82 Y83 L86 | D68-I78 HydrophobicContact CB-CB 4.06Å; D68-I78 HydrophobicContact CB-CG2 3.88Å; D68-I78 PolarHBondContact N-O 3.36Å; H69-I78 PolarHBondContact N-O 2.77Å; H69-I78 PolarHBondContact O-N 2.83Å; C71-I78 HydrophobicContact CB-CD1 4.41Å; C71-I78 HydrophobicContact CB-CG1 4.1Å; L74-I78 HydrophobicContact CD1-CD1 3.97Å; I78-N82 WeakPolarHBondContact CA-OD1 3.35Å; I78-Y83 HydrophobicContact CG2-CD2 3.85Å; I78-L86 HydrophobicContact CB-CD2 4.36Å; I78-L86 HydrophobicContact CD1-CB 4.45Å; I78-L86 HydrophobicContact CG1-CD2 4.15Å; I78-L86 HydrophobicContact CG2-CB 4.21Å; I78-L86 HydrophobicContact CG2-CD2 3.72Å |
| 79 | G | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -149.4 | -166.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P3 T66 R81 N82 Y83 | P3-G79 CarbonylContact O-C 3.43Å; T66-G79 VanDerWaalsContact O-CA 3.3Å; T66-G79 WeakPolarHBondContact O-CA 3.29Å; G79-R81 VanDerWaalsContact C-N 3.26Å; G79-R81 PolarHBondContact O-N 3.42Å; G79-R81 VanDerWaalsContact O-N 3.09Å; G79-N82 PolarHBondContact N-OD1 2.88Å; G79-N82 PolarHBondContact O-N 3.05Å; G79-N82 PolarHBondContact O-OD1 2.71Å; G79-Y83 WeakPolarHBondContact O-CB 3.35Å; G79-Y83 PolarHBondContact O-N 3.3Å | ||
| 80 | K | 95.2 | Very high | 95.3 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -46.6 | -174.1 | -168.9 | 177.8 | 177.2 | -179.9 | 0 | 114 | P3 D65 T66 N82 | P3-K80 PolarHBondContact O-N 3.42Å; D65-K80 HydrophobicContact CB-CB 4.44Å; D65-K80 WeakPolarHBondContact O-CB 2.86Å; D65-K80 PolarHBondContact O-N 3.49Å; D65-K80 WeakPolarHBondContact OD2-CD 3.33Å; D65-K80 IonicContact OD2-NZ 3.9Å; T66-K80 PolarHBondContact O-N 3.35Å; K80-N82 PolarHBondContact O-N 2.95Å |
| 81 | R | 94.6 | Very high | 95.3 | Very high | 136 Ų | 136 | 60.1 Ų | 60.1 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.7 | -169 | -68.7 | -179.5 | 63.3 | 161.7 | 0.8 | 114.4 | H2 P3 G79 | H2-R81 WeakPolarHBondContact O-CB 3.17Å; P3-R81 PolarHBondContact O-N 2.92Å; G79-R81 VanDerWaalsContact C-N 3.26Å; G79-R81 PolarHBondContact O-N 3.42Å; G79-R81 VanDerWaalsContact O-N 3.09Å |
| 82 | N | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -3.1 | -179.5 | 69.4 | -7.3 | 0 | 0 | 0 | 114.5 | M1 C77 I78 G79 K80 R84 Y85 L86 | M1-N82 HydrophobicContact CB-CB 4.28Å; C77-N82 PolarHBondContact O-ND2 3.49Å; I78-N82 WeakPolarHBondContact CA-OD1 3.35Å; G79-N82 PolarHBondContact N-OD1 2.88Å; G79-N82 PolarHBondContact O-N 3.05Å; G79-N82 PolarHBondContact O-OD1 2.71Å; K80-N82 PolarHBondContact O-N 2.95Å; N82-R84 PolarHBondContact O-N 2.83Å; N82-Y85 HydrophobicContact CB-CD2 4.35Å; N82-Y85 PolarHBondContact O-N 2.8Å; N82-L86 PolarHBondContact O-N 3.43Å |
| 83 | Y | 95.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 63.3 Ų | 63.3 | 9% | 0.09 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56 | -36.7 | 177.5 | -170.5 | -90.2 | 0 | 0 | 0 | 112.9 | D68 I78 G79 Y85 L86 F87 H144 V148 I180 | D68-Y83 HydrophobicContact CB-CD2 4.08Å; D68-Y83 HydrophobicContact CB-CE2 4.29Å; D68-Y83 VanDerWaalsContact OD2-CE2 3.24Å; D68-Y83 WeakPolarHBondContact OD2-CE2 3.1Å; I78-Y83 HydrophobicContact CG2-CD2 3.85Å; G79-Y83 WeakPolarHBondContact O-CB 3.35Å; G79-Y83 PolarHBondContact O-N 3.3Å; Y83-Y85 PolarHBondContact O-N 2.96Å; Y83-Y85 VanDerWaalsContact O-N 3.17Å; Y83-L86 HydrophobicContact CD2-CD2 4.24Å; Y83-L86 HydrophobicContact CE2-CD2 4.16Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 3.32Å; Y83-L86 VanDerWaalsContact O-N 3.09Å; Y83-F87 HydrophobicContact CE1-CB 4.47Å; Y83-F87 PolarHBondContact O-N 3.43Å; Y83-H144 AromaticContact CZ-ND1 3.84Å; Y83-H144 PolarHBondContact OH-ND1 2.96Å; Y83-H144 VanDerWaalsContact OH-ND1 3.13Å; Y83-V148 HydrophobicContact CE1-CG2 3.94Å; Y83-I180 HydrophobicContact CD1-CD1 3.87Å; Y83-I180 HydrophobicContact CE1-CD1 3.9Å |
| 84 | R | 93.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.4 | -36.5 | 176.8 | 72.6 | 179.9 | -179.2 | -167.4 | -4.2 | 113.1 | N82 F87 L88 S184 | N82-R84 PolarHBondContact O-N 2.83Å; R84-F87 PolarHBondContact O-N 2.97Å; R84-L88 VanDerWaalsContact O-CB 3.29Å; R84-L88 WeakPolarHBondContact O-CB 3.24Å; R84-L88 WeakPolarHBondContact O-CG 3.39Å; R84-L88 PolarHBondContact O-N 2.86Å; R84-S184 PolarHBondContact NH1-OG 3.33Å |
| 85 | Y | 93.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -77.1 | -37.7 | -180 | -59 | -75.4 | 0 | 0 | 0 | 111.2 | M1 N82 Y83 F87 L88 V89 | M1-Y85 HydrophobicContact CE-CD1 3.97Å; M1-Y85 HydrophobicContact CE-CD2 4.13Å; M1-Y85 HydrophobicContact CE-CE1 3.73Å; M1-Y85 HydrophobicContact CE-CE2 3.9Å; M1-Y85 HydrophobicContact CE-CG 4.14Å; M1-Y85 HydrophobicContact SD-CD1 4.11Å; M1-Y85 HydrophobicContact SD-CD2 3.24Å; M1-Y85 WeakPolarHBondContact SD-CD2 3.18Å; M1-Y85 HydrophobicContact SD-CE1 4.15Å; M1-Y85 HydrophobicContact SD-CE2 3.29Å; M1-Y85 WeakPolarHBondContact SD-CE2 3.48Å; M1-Y85 HydrophobicContact SD-CG 3.65Å; N82-Y85 HydrophobicContact CB-CD2 4.35Å; N82-Y85 PolarHBondContact O-N 2.8Å; Y83-Y85 PolarHBondContact O-N 2.96Å; Y83-Y85 VanDerWaalsContact O-N 3.17Å; Y85-F87 PolarHBondContact O-N 3.15Å; Y85-L88 PolarHBondContact O-N 3.17Å; Y85-V89 WeakPolarHBondContact O-CB 3.21Å; Y85-V89 WeakPolarHBondContact O-CG2 3.39Å; Y85-V89 PolarHBondContact O-N 3.37Å |
| 86 | L | 92.3 | Very high | 96 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -35.1 | 169.8 | 178.7 | 71.6 | 0 | 0 | 0 | 111.1 | I78 N82 Y83 P90 | I78-L86 HydrophobicContact CB-CD2 4.36Å; I78-L86 HydrophobicContact CD1-CB 4.45Å; I78-L86 HydrophobicContact CG1-CD2 4.15Å; I78-L86 HydrophobicContact CG2-CB 4.21Å; I78-L86 HydrophobicContact CG2-CD2 3.72Å; N82-L86 PolarHBondContact O-N 3.43Å; Y83-L86 HydrophobicContact CD2-CD2 4.24Å; Y83-L86 HydrophobicContact CE2-CD2 4.16Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 3.32Å; Y83-L86 VanDerWaalsContact O-N 3.09Å; L86-P90 WeakPolarHBondContact O-CD 3.48Å; L86-P90 WeakPolarHBondContact O-CG 3.41Å |
| 87 | F | 94.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.1 | -49 | 178 | -176.5 | -105.8 | 0 | 0 | 0 | 112.9 | Y83 R84 Y85 T91 H144 I145 V148 W177 I180 F181 | Y83-F87 HydrophobicContact CE1-CB 4.47Å; Y83-F87 PolarHBondContact O-N 3.43Å; R84-F87 PolarHBondContact O-N 2.97Å; Y85-F87 PolarHBondContact O-N 3.15Å; F87-T91 WeakPolarHBondContact O-CB 3.29Å; F87-T91 PolarHBondContact O-N 3.41Å; F87-T91 PolarHBondContact O-OG1 3.36Å; F87-H144 HydrophobicContact CD2-CB 4.01Å; F87-H144 HydrophobicContact CE2-CB 4.39Å; F87-I145 HydrophobicContact CE2-CG1 3.9Å; F87-I145 HydrophobicContact CZ-CG1 4.07Å; F87-V148 HydrophobicContact CD2-CG2 3.95Å; F87-V148 HydrophobicContact CE2-CG2 3.96Å; F87-W177 HydrophobicContact CE1-CZ3 4.07Å; F87-W177 HydrophobicContact CZ-CE3 4.38Å; F87-W177 AromaticContact CZ-CH2 3.99Å; F87-W177 HydrophobicContact CZ-CH2 3.99Å; F87-W177 AromaticContact CZ-CZ3 3.7Å; F87-W177 HydrophobicContact CZ-CZ3 3.7Å; F87-I180 HydrophobicContact CB-CG2 4.43Å; F87-I180 HydrophobicContact CD1-CG2 3.96Å; F87-I180 HydrophobicContact CG-CG2 4.36Å; F87-F181 HydrophobicContact CE1-CZ 4.34Å |
| 88 | L | 94.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | -172.9 | -74.4 | 173.9 | 0 | 0 | 0 | 113.4 | R84 Y85 T91 Q92 F181 | R84-L88 VanDerWaalsContact O-CB 3.29Å; R84-L88 WeakPolarHBondContact O-CB 3.24Å; R84-L88 WeakPolarHBondContact O-CG 3.39Å; R84-L88 PolarHBondContact O-N 2.86Å; Y85-L88 PolarHBondContact O-N 3.17Å; L88-T91 PolarHBondContact O-N 3.05Å; L88-Q92 WeakPolarHBondContact O-CB 3.27Å; L88-Q92 PolarHBondContact O-N 3.09Å; L88-F181 HydrophobicContact CD2-CE1 3.86Å |
| 89 | V | 94.7 | Very high | 96.1 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -51.8 | -174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | Y85 T91 Q92 I93 | Y85-V89 WeakPolarHBondContact O-CB 3.21Å; Y85-V89 WeakPolarHBondContact O-CG2 3.39Å; Y85-V89 PolarHBondContact O-N 3.37Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.23Å; V89-Q92 PolarHBondContact O-N 3.36Å; V89-I93 HydrophobicContact CG1-CD1 3.73Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 2.94Å |
| 90 | P | 95.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 174.9 | -24.3 | 37.5 | 0 | 0 | 0 | 113.1 | L86 Q92 I93 T94 T141 | L86-P90 WeakPolarHBondContact O-CD 3.48Å; L86-P90 WeakPolarHBondContact O-CG 3.41Å; P90-Q92 PolarHBondContact O-N 3.31Å; P90-I93 PolarHBondContact O-N 3.31Å; P90-T94 WeakPolarHBondContact O-CB 3.46Å; P90-T94 PolarHBondContact O-N 3Å; P90-T94 PolarHBondContact O-OG1 3.4Å; P90-T141 PolarHBondContact O-OG1 3.37Å |
| 91 | T | 96.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | F87 L88 V89 T94 L95 | F87-T91 WeakPolarHBondContact O-CB 3.29Å; F87-T91 PolarHBondContact O-N 3.41Å; F87-T91 PolarHBondContact O-OG1 3.36Å; L88-T91 PolarHBondContact O-N 3.05Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.23Å; T91-T94 PolarHBondContact O-N 2.89Å; T91-L95 PolarHBondContact O-N 3.2Å |
| 92 | Q | 98 | Very high | 96.5 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 178.3 | -175.8 | 56.4 | 74.7 | 0 | 0 | 112.4 | L88 V89 P90 R96 | L88-Q92 WeakPolarHBondContact O-CB 3.27Å; L88-Q92 PolarHBondContact O-N 3.09Å; V89-Q92 PolarHBondContact O-N 3.36Å; P90-Q92 PolarHBondContact O-N 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.25Å; Q92-R96 PolarHBondContact O-N 3.35Å; Q92-R96 VanDerWaalsContact O-N 3.08Å |
| 93 | I | 98 | Very high | 96.7 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.2 | -69.2 | 168.2 | 0 | 0 | 0 | 109.9 | V89 P90 L95 R96 M97 V137 | V89-I93 HydrophobicContact CG1-CD1 3.73Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 2.94Å; P90-I93 PolarHBondContact O-N 3.31Å; I93-L95 PolarHBondContact O-N 2.97Å; I93-R96 PolarHBondContact O-N 2.87Å; I93-M97 HydrophobicContact CG2-CE 3.64Å; I93-M97 HydrophobicContact CG2-CG 4.27Å; I93-M97 HydrophobicContact CG2-SD 3.93Å; I93-M97 WeakPolarHBondContact O-CG 3.3Å; I93-M97 PolarHBondContact O-N 3.46Å; I93-V137 HydrophobicContact CG2-CG1 4.11Å |
| 94 | T | 98.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | P90 T91 R96 M97 I98 L134 V137 L138 T141 | P90-T94 WeakPolarHBondContact O-CB 3.46Å; P90-T94 PolarHBondContact O-N 3Å; P90-T94 PolarHBondContact O-OG1 3.4Å; T91-T94 PolarHBondContact O-N 2.89Å; T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 3.31Å; T94-M97 PolarHBondContact O-N 3.03Å; T94-I98 HydrophobicContact CG2-CD1 4.03Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 2.82Å; T94-L134 HydrophobicContact CG2-CD1 4.2Å; T94-V137 WeakPolarHBondContact OG1-CG1 3.32Å; T94-L138 HydrophobicContact CG2-CB 4.35Å; T94-L138 HydrophobicContact CG2-CD1 3.67Å; T94-T141 PolarHBondContact OG1-OG1 3.49Å |
| 95 | L | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 178.3 | 179.6 | 61.7 | 0 | 0 | 0 | 111.9 | T91 I93 I98 I99 | T91-L95 PolarHBondContact O-N 3.2Å; I93-L95 PolarHBondContact O-N 2.97Å; L95-I98 PolarHBondContact O-N 2.89Å; L95-I99 HydrophobicContact CD1-CD1 4.29Å; L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 VanDerWaalsContact O-CG1 3.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.48Å |
| 96 | R | 98.7 | Very high | 97.3 | Very high | 135 Ų | 135 | 60.2 Ų | 60.2 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 178 | -69.5 | -69.5 | -178.2 | -95.8 | -1.2 | 111.9 | Q92 I93 T94 I99 V100 | Q92-R96 WeakPolarHBondContact O-CG 3.25Å; Q92-R96 PolarHBondContact O-N 3.35Å; Q92-R96 VanDerWaalsContact O-N 3.08Å; I93-R96 PolarHBondContact O-N 2.87Å; T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 3.31Å; R96-I99 PolarHBondContact O-N 3.31Å; R96-V100 WeakPolarHBondContact O-CG2 3.29Å; R96-V100 PolarHBondContact O-N 3.45Å |
| 97 | M | 98.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 62 Ų | 62 | 19% | 0.187 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 173.8 | -73.6 | 178.2 | 169.3 | 0 | 0 | 111.4 | I93 T94 I99 V100 F101 V130 L133 L134 V137 | I93-M97 HydrophobicContact CG2-CE 3.64Å; I93-M97 HydrophobicContact CG2-CG 4.27Å; I93-M97 HydrophobicContact CG2-SD 3.93Å; I93-M97 WeakPolarHBondContact O-CG 3.3Å; I93-M97 PolarHBondContact O-N 3.46Å; T94-M97 PolarHBondContact O-N 3.03Å; M97-I99 PolarHBondContact O-N 3.19Å; M97-V100 PolarHBondContact O-N 3.33Å; M97-F101 VanDerWaalsContact O-CB 3.24Å; M97-F101 WeakPolarHBondContact O-CB 3.4Å; M97-F101 PolarHBondContact O-N 3.06Å; M97-V130 HydrophobicContact CB-CG1 4.04Å; M97-V130 HydrophobicContact CG-CG1 4.37Å; M97-V130 WeakPolarHBondContact O-CG1 3.4Å; M97-L133 HydrophobicContact CE-CB 4.24Å; M97-L134 HydrophobicContact CB-CD1 3.82Å; M97-L134 HydrophobicContact SD-CD1 4.44Å; M97-V137 HydrophobicContact CE-CG2 4.28Å; M97-V137 HydrophobicContact SD-CB 4.22Å; M97-V137 HydrophobicContact SD-CG1 4.28Å; M97-V137 HydrophobicContact SD-CG2 4.31Å |
| 98 | I | 98.5 | Very high | 97.8 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 43% | 0.431 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.6 | -68.2 | 166.6 | 0 | 0 | 0 | 111 | T94 L95 F101 G102 L134 | T94-I98 HydrophobicContact CG2-CD1 4.03Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 2.82Å; L95-I98 PolarHBondContact O-N 2.89Å; I98-F101 PolarHBondContact O-N 3.47Å; I98-G102 PolarHBondContact O-N 3.3Å; I98-L134 HydrophobicContact CG1-CD1 4.05Å; I98-L134 HydrophobicContact CG1-CD2 4.27Å |
| 99 | I | 98.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 64.7 Ų | 64.7 | 32% | 0.323 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 178.5 | -68.6 | 164.8 | 0 | 0 | 0 | 110.9 | L95 R96 M97 F101 G102 M103 | L95-I99 HydrophobicContact CD1-CD1 4.29Å; L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 VanDerWaalsContact O-CG1 3.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.48Å; R96-I99 PolarHBondContact O-N 3.31Å; M97-I99 PolarHBondContact O-N 3.19Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 3.25Å; I99-G102 PolarHBondContact O-N 3.46Å; I99-M103 HydrophobicContact CG2-CE 3.55Å; I99-M103 HydrophobicContact CG2-CG 4.34Å; I99-M103 HydrophobicContact CG2-SD 3.77Å; I99-M103 WeakPolarHBondContact O-CB 3.46Å; I99-M103 VanDerWaalsContact O-CG 3.31Å; I99-M103 WeakPolarHBondContact O-CG 3.39Å; I99-M103 PolarHBondContact O-N 3.5Å |
| 100 | V | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 68.1 Ų | 68.1 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 111 | R96 M97 S104 V126 V130 | R96-V100 WeakPolarHBondContact O-CG2 3.29Å; R96-V100 PolarHBondContact O-N 3.45Å; M97-V100 PolarHBondContact O-N 3.33Å; V100-S104 VanDerWaalsContact O-CB 3.27Å; V100-S104 WeakPolarHBondContact O-CB 3.47Å; V100-S104 PolarHBondContact O-N 2.9Å; V100-S104 PolarHBondContact O-OG 3.05Å; V100-V126 HydrophobicContact CG1-CG1 3.83Å; V100-V130 HydrophobicContact CG1-CG2 4.08Å |
| 101 | F | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 177 | -171.5 | -89.8 | 0 | 0 | 0 | 111.6 | M97 I98 I99 S104 T105 L127 V130 | M97-F101 VanDerWaalsContact O-CB 3.24Å; M97-F101 WeakPolarHBondContact O-CB 3.4Å; M97-F101 PolarHBondContact O-N 3.06Å; I98-F101 PolarHBondContact O-N 3.47Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 3.25Å; F101-S104 PolarHBondContact O-N 3.01Å; F101-T105 WeakPolarHBondContact O-CB 3.33Å; F101-T105 PolarHBondContact O-N 2.73Å; F101-T105 PolarHBondContact O-OG1 3.2Å; F101-L127 HydrophobicContact CD2-CD2 3.77Å; F101-L127 HydrophobicContact CE2-CD2 3.86Å; F101-L127 HydrophobicContact CG-CD2 4.12Å; F101-L127 HydrophobicContact CZ-CD2 4.27Å; F101-L127 VanDerWaalsContact O-CD2 3.31Å; F101-L127 WeakPolarHBondContact O-CD2 3.38Å; F101-V130 HydrophobicContact CB-CG1 4.13Å; F101-V130 HydrophobicContact CD2-CG1 4.42Å |
| 102 | G | 98.3 | Very high | 98.2 | Very high | 33 Ų | 33 | 72.8 Ų | 72.8 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I98 I99 T105 T106 | I98-G102 PolarHBondContact O-N 3.3Å; I99-G102 PolarHBondContact O-N 3.46Å; G102-T105 PolarHBondContact O-N 2.93Å; G102-T106 PolarHBondContact O-N 3.26Å; G102-T106 PolarHBondContact O-OG1 2.94Å |
| 103 | M | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 76.4 Ų | 76.4 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 175.8 | -73.2 | 176.9 | 173.9 | 0 | 0 | 111.8 | I99 T105 T106 Y107 | I99-M103 HydrophobicContact CG2-CE 3.55Å; I99-M103 HydrophobicContact CG2-CG 4.34Å; I99-M103 HydrophobicContact CG2-SD 3.77Å; I99-M103 WeakPolarHBondContact O-CB 3.46Å; I99-M103 VanDerWaalsContact O-CG 3.31Å; I99-M103 WeakPolarHBondContact O-CG 3.39Å; I99-M103 PolarHBondContact O-N 3.5Å; M103-T105 VanDerWaalsContact C-N 3.31Å; M103-T105 PolarHBondContact O-N 3.35Å; M103-T106 PolarHBondContact O-N 3.09Å; M103-Y107 WeakPolarHBondContact O-CB 3.39Å; M103-Y107 PolarHBondContact O-N 3.2Å |
| 104 | S | 98 | Very high | 98 | Very high | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 179.3 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | V100 F101 Y107 V108 | V100-S104 VanDerWaalsContact O-CB 3.27Å; V100-S104 WeakPolarHBondContact O-CB 3.47Å; V100-S104 PolarHBondContact O-N 2.9Å; V100-S104 PolarHBondContact O-OG 3.05Å; F101-S104 PolarHBondContact O-N 3.01Å; S104-Y107 PolarHBondContact O-N 2.88Å; S104-V108 WeakPolarHBondContact O-CG2 3.24Å; S104-V108 PolarHBondContact O-N 3.04Å |
| 105 | T | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 81 Ų | 81 | 28% | 0.276 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 175.8 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | F101 G102 M103 Y107 V108 L109 L127 | F101-T105 WeakPolarHBondContact O-CB 3.33Å; F101-T105 PolarHBondContact O-N 2.73Å; F101-T105 PolarHBondContact O-OG1 3.2Å; G102-T105 PolarHBondContact O-N 2.93Å; M103-T105 VanDerWaalsContact C-N 3.31Å; M103-T105 PolarHBondContact O-N 3.35Å; T105-Y107 VanDerWaalsContact C-N 3.32Å; T105-Y107 PolarHBondContact O-N 3.22Å; T105-V108 PolarHBondContact O-N 2.83Å; T105-L109 HydrophobicContact CG2-CD1 3.88Å; T105-L109 HydrophobicContact CG2-CG 4.35Å; T105-L109 WeakPolarHBondContact O-CB 3.32Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.42Å; T105-L109 PolarHBondContact O-N 3.03Å; T105-L127 VanDerWaalsContact OG1-CD2 3.3Å; T105-L127 WeakPolarHBondContact OG1-CD2 3.3Å |
| 106 | T | 98.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 82.1 Ų | 82.1 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | G102 M103 V108 L109 M110 | G102-T106 PolarHBondContact O-N 3.26Å; G102-T106 PolarHBondContact O-OG1 2.94Å; M103-T106 PolarHBondContact O-N 3.09Å; T106-V108 PolarHBondContact O-N 3.05Å; T106-L109 PolarHBondContact O-N 3.37Å; T106-M110 HydrophobicContact CG2-CG 4.42Å; T106-M110 HydrophobicContact CG2-SD 4.02Å; T106-M110 VanDerWaalsContact O-CG 3.28Å; T106-M110 WeakPolarHBondContact O-CG 3.33Å; T106-M110 PolarHBondContact O-N 2.82Å |
| 107 | Y | 98.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 79 Ų | 79 | 24% | 0.243 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 178 | 179.4 | -92.9 | 0 | 0 | 0 | 112.9 | M103 S104 T105 R111 K119 V120 A123 | M103-Y107 WeakPolarHBondContact O-CB 3.39Å; M103-Y107 PolarHBondContact O-N 3.2Å; S104-Y107 PolarHBondContact O-N 2.88Å; T105-Y107 VanDerWaalsContact C-N 3.32Å; T105-Y107 PolarHBondContact O-N 3.22Å; Y107-R111 VanDerWaalsContact CE2-NE 3.28Å; Y107-R111 VanDerWaalsContact OH-CZ 3.29Å; Y107-R111 PolarHBondContact OH-NE 2.93Å; Y107-R111 PolarHBondContact OH-NH1 3.19Å; Y107-K119 WeakPolarHBondContact OH-CB 3.34Å; Y107-V120 HydrophobicContact CE1-CG2 4.11Å; Y107-A123 HydrophobicContact CD1-CB 3.59Å; Y107-A123 HydrophobicContact CE1-CB 3.97Å |
| 108 | V | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 84 Ų | 84 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | S104 T105 T106 M110 R111 T112 V120 A123 I124 L127 | S104-V108 WeakPolarHBondContact O-CG2 3.24Å; S104-V108 PolarHBondContact O-N 3.04Å; T105-V108 PolarHBondContact O-N 2.83Å; T106-V108 PolarHBondContact O-N 3.05Å; V108-M110 VanDerWaalsContact C-N 3.29Å; V108-M110 PolarHBondContact O-N 2.82Å; V108-R111 CarbonylContact O-C 3.36Å; V108-R111 PolarHBondContact O-N 2.78Å; V108-T112 PolarHBondContact O-N 3.17Å; V108-V120 HydrophobicContact CG1-CG1 4.38Å; V108-V120 HydrophobicContact CG2-CG1 4.29Å; V108-A123 HydrophobicContact CG2-CB 3.85Å; V108-I124 HydrophobicContact CG1-CG1 4.22Å; V108-I124 HydrophobicContact CG2-CG1 3.87Å; V108-L127 HydrophobicContact CB-CD1 4.5Å; V108-L127 HydrophobicContact CG2-CD1 3.93Å |
| 109 | L | 97.9 | Very high | 97.6 | Very high | 117 Ų | 117 | 84.7 Ų | 84.7 | 61% | 0.613 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.7 | -32.7 | 179.3 | -70.7 | 176.2 | 0 | 0 | 0 | 113 | T105 T106 R111 T112 | T105-L109 HydrophobicContact CG2-CD1 3.88Å; T105-L109 HydrophobicContact CG2-CG 4.35Å; T105-L109 WeakPolarHBondContact O-CB 3.32Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.42Å; T105-L109 PolarHBondContact O-N 3.03Å; T106-L109 PolarHBondContact O-N 3.37Å; L109-R111 PolarHBondContact O-N 3.09Å; L109-T112 WeakPolarHBondContact O-CG2 3.23Å |
| 110 | M | 98.1 | Very high | 97.5 | Very high | 152 Ų | 152 | 81.7 Ų | 81.7 | 75% | 0.749 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.8 | 175.1 | -71.1 | 179.2 | 74.3 | 0 | 0 | 113.7 | T106 V108 | T106-M110 HydrophobicContact CG2-CG 4.42Å; T106-M110 HydrophobicContact CG2-SD 4.02Å; T106-M110 VanDerWaalsContact O-CG 3.28Å; T106-M110 WeakPolarHBondContact O-CG 3.33Å; T106-M110 PolarHBondContact O-N 2.82Å; V108-M110 VanDerWaalsContact C-N 3.29Å; V108-M110 PolarHBondContact O-N 2.82Å |
| 111 | R | 97.1 | Very high | 97.5 | Very high | 83 Ų | 83 | 83.3 Ų | 83.3 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 34.8 | -172.8 | -65.1 | 177.9 | -178.5 | -123.1 | 3.5 | 112.3 | Y107 V108 L109 N113 E114 V120 | Y107-R111 VanDerWaalsContact CE2-NE 3.28Å; Y107-R111 VanDerWaalsContact OH-CZ 3.29Å; Y107-R111 PolarHBondContact OH-NE 2.93Å; Y107-R111 PolarHBondContact OH-NH1 3.19Å; V108-R111 CarbonylContact O-C 3.36Å; V108-R111 PolarHBondContact O-N 2.78Å; L109-R111 PolarHBondContact O-N 3.09Å; R111-N113 PolarHBondContact O-N 3.47Å; R111-N113 VanDerWaalsContact O-N 3.16Å; R111-E114 HydrophobicContact CB-CB 4.44Å; R111-E114 IonicContact NH1-OE2 3.48Å; R111-E114 PolarHBondContact NH1-OE2 2.71Å; R111-E114 CarbonylContact O-C 3.58Å; R111-E114 PolarHBondContact O-N 3.13Å; R111-V120 HydrophobicContact CB-CG2 3.81Å |
| 112 | T | 96.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 84.7 Ų | 84.7 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -61.1 | -23.2 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | V108 L109 E114 L115 | V108-T112 PolarHBondContact O-N 3.17Å; L109-T112 WeakPolarHBondContact O-CG2 3.23Å; T112-E114 VanDerWaalsContact C-N 3.31Å; T112-L115 VanDerWaalsContact CA-CD1 3.42Å; T112-L115 WeakPolarHBondContact O-CD1 3.36Å |
| 113 | N | 97.3 | Very high | 97.5 | Very high | 163 Ų | 163 | 83.6 Ų | 83.6 | 87% | 0.872 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -81.4 | -8.5 | 174.5 | -62 | -37.8 | 0 | 0 | 0 | 113.7 | R111 | R111-N113 PolarHBondContact O-N 3.47Å; R111-N113 VanDerWaalsContact O-N 3.16Å |
| 114 | E | 95 | Very high | 97.5 | Very high | 88 Ų | 88 | 80.1 Ų | 80.1 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -122.4 | 31.4 | -174.3 | -57.5 | -176.3 | 156.7 | 0 | 0 | 111.8 | R111 T112 S116 H117 V120 | R111-E114 HydrophobicContact CB-CB 4.44Å; R111-E114 IonicContact NH1-OE2 3.48Å; R111-E114 PolarHBondContact NH1-OE2 2.71Å; R111-E114 CarbonylContact O-C 3.58Å; R111-E114 PolarHBondContact O-N 3.13Å; T112-E114 VanDerWaalsContact C-N 3.31Å; E114-S116 PolarHBondContact O-N 3.26Å; E114-S116 VanDerWaalsContact O-N 3.08Å; E114-H117 HydrophobicContact CB-CB 4.06Å; E114-H117 WeakPolarHBondContact O-CB 3.45Å; E114-H117 PolarHBondContact O-N 3.37Å; E114-V120 WeakPolarHBondContact O-CG2 3.44Å |
| 115 | L | 95.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 81.3 Ų | 81.3 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.2 | -175 | -105.8 | 73.6 | 0 | 0 | 0 | 114.1 | T112 H117 I121 | T112-L115 VanDerWaalsContact CA-CD1 3.42Å; T112-L115 WeakPolarHBondContact O-CD1 3.36Å; L115-H117 VanDerWaalsContact C-N 3.31Å; L115-I121 WeakPolarHBondContact O-CG1 3.43Å |
| 116 | S | 96.2 | Very high | 97.4 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.6 | 176.5 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | E114 Y118 I121 | E114-S116 PolarHBondContact O-N 3.26Å; E114-S116 VanDerWaalsContact O-N 3.08Å; S116-Y118 PolarHBondContact O-N 2.94Å; S116-I121 WeakPolarHBondContact O-CD1 3.45Å |
| 117 | H | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 79 Ų | 79 | 32% | 0.324 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -71 | 128.2 | 179.1 | -170.2 | -76.9 | 0 | 0 | 0 | 109.9 | E114 L115 K119 V120 I121 | E114-H117 HydrophobicContact CB-CB 4.06Å; E114-H117 WeakPolarHBondContact O-CB 3.45Å; E114-H117 PolarHBondContact O-N 3.37Å; L115-H117 VanDerWaalsContact C-N 3.31Å; H117-K119 PolarHBondContact ND1-N 2.62Å; H117-K119 PolarHBondContact O-N 2.99Å; H117-V120 HydrophobicContact CB-CG2 4.42Å; H117-V120 WeakPolarHBondContact O-CA 3.45Å; H117-V120 WeakPolarHBondContact O-CB 3.16Å; H117-V120 PolarHBondContact O-N 3.22Å; H117-I121 PolarHBondContact O-N 3.47Å |
| 118 | Y | 97.2 | Very high | 97.4 | Very high | 142 Ų | 142 | 81 Ų | 81 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -52 | -37.2 | -170.7 | 74.9 | -81.8 | 0 | 0 | 0 | 114.4 | S116 V120 I121 I122 | S116-Y118 PolarHBondContact O-N 2.94Å; Y118-V120 VanDerWaalsContact C-N 3.33Å; Y118-V120 PolarHBondContact O-N 3.1Å; Y118-I121 PolarHBondContact O-N 3.04Å; Y118-I122 HydrophobicContact CD2-CD1 3.99Å; Y118-I122 VanDerWaalsContact O-CG1 3.31Å; Y118-I122 WeakPolarHBondContact O-CG1 3.47Å; Y118-I122 PolarHBondContact O-N 3.41Å |
| 119 | K | 97.7 | Very high | 97.4 | Very high | 99 Ų | 99 | 84.9 Ų | 84.9 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 175.9 | -62.5 | -178.4 | -177.6 | 175.9 | 0 | 113.2 | Y107 H117 A123 | Y107-K119 WeakPolarHBondContact OH-CB 3.34Å; H117-K119 PolarHBondContact ND1-N 2.62Å; H117-K119 PolarHBondContact O-N 2.99Å; K119-A123 PolarHBondContact O-N 3.2Å; K119-A123 VanDerWaalsContact O-N 3.1Å |
| 120 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.1 | -42.4 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | Y107 V108 R111 E114 H117 Y118 I122 A123 I124 | Y107-V120 HydrophobicContact CE1-CG2 4.11Å; V108-V120 HydrophobicContact CG1-CG1 4.38Å; V108-V120 HydrophobicContact CG2-CG1 4.29Å; R111-V120 HydrophobicContact CB-CG2 3.81Å; E114-V120 WeakPolarHBondContact O-CG2 3.44Å; H117-V120 HydrophobicContact CB-CG2 4.42Å; H117-V120 WeakPolarHBondContact O-CA 3.45Å; H117-V120 WeakPolarHBondContact O-CB 3.16Å; H117-V120 PolarHBondContact O-N 3.22Å; Y118-V120 VanDerWaalsContact C-N 3.33Å; Y118-V120 PolarHBondContact O-N 3.1Å; V120-I122 VanDerWaalsContact C-N 3.34Å; V120-I122 PolarHBondContact O-N 3.02Å; V120-A123 WeakPolarHBondContact O-CB 3.13Å; V120-A123 PolarHBondContact O-N 3.36Å; V120-A123 VanDerWaalsContact O-N 3.14Å; V120-I124 HydrophobicContact CG1-CD1 4.09Å; V120-I124 WeakPolarHBondContact O-CG1 3.5Å; V120-I124 PolarHBondContact O-N 2.92Å |
| 121 | I | 97.8 | Very high | 97.4 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 174.5 | -59.4 | 175.3 | 0 | 0 | 0 | 111.1 | L115 S116 H117 Y118 A123 I124 G125 | L115-I121 WeakPolarHBondContact O-CG1 3.43Å; S116-I121 WeakPolarHBondContact O-CD1 3.45Å; H117-I121 PolarHBondContact O-N 3.47Å; Y118-I121 PolarHBondContact O-N 3.04Å; I121-A123 PolarHBondContact O-N 2.72Å; I121-I124 PolarHBondContact O-N 2.93Å; I121-G125 PolarHBondContact O-N 3.27Å |
| 122 | I | 98.1 | Very high | 97.5 | Very high | 105 Ų | 105 | 75.7 Ų | 75.7 | 54% | 0.538 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.3 | -69.4 | 166.6 | 0 | 0 | 0 | 110.8 | Y118 V120 I124 G125 V126 | Y118-I122 HydrophobicContact CD2-CD1 3.99Å; Y118-I122 VanDerWaalsContact O-CG1 3.31Å; Y118-I122 WeakPolarHBondContact O-CG1 3.47Å; Y118-I122 PolarHBondContact O-N 3.41Å; V120-I122 VanDerWaalsContact C-N 3.34Å; V120-I122 PolarHBondContact O-N 3.02Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 3.17Å; I122-G125 PolarHBondContact O-N 3.47Å; I122-G125 VanDerWaalsContact O-N 3.14Å; I122-V126 WeakPolarHBondContact O-CG2 3.36Å; I122-V126 PolarHBondContact O-N 2.84Å |
| 123 | A | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 75.9 Ų | 75.9 | 8% | 0.083 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y107 V108 K119 V120 I121 V126 L127 | Y107-A123 HydrophobicContact CD1-CB 3.59Å; Y107-A123 HydrophobicContact CE1-CB 3.97Å; V108-A123 HydrophobicContact CG2-CB 3.85Å; K119-A123 PolarHBondContact O-N 3.2Å; K119-A123 VanDerWaalsContact O-N 3.1Å; V120-A123 WeakPolarHBondContact O-CB 3.13Å; V120-A123 PolarHBondContact O-N 3.36Å; V120-A123 VanDerWaalsContact O-N 3.14Å; I121-A123 PolarHBondContact O-N 2.72Å; A123-V126 PolarHBondContact O-N 3.02Å; A123-L127 WeakPolarHBondContact O-CG 3.07Å; A123-L127 PolarHBondContact O-N 3.41Å |
| 124 | I | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 172.9 | -66.8 | 166.8 | 0 | 0 | 0 | 110.7 | V108 V120 I121 I122 V126 L127 I128 | V108-I124 HydrophobicContact CG1-CG1 4.22Å; V108-I124 HydrophobicContact CG2-CG1 3.87Å; V120-I124 HydrophobicContact CG1-CD1 4.09Å; V120-I124 WeakPolarHBondContact O-CG1 3.5Å; V120-I124 PolarHBondContact O-N 2.92Å; I121-I124 PolarHBondContact O-N 2.93Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 3.17Å; I124-V126 PolarHBondContact O-N 2.83Å; I124-L127 WeakPolarHBondContact O-CB 3.33Å; I124-L127 PolarHBondContact O-N 2.92Å; I124-I128 HydrophobicContact CG2-CD1 4.08Å; I124-I128 WeakPolarHBondContact O-CG1 3.5Å; I124-I128 PolarHBondContact O-N 3.41Å |
| 125 | G | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I121 I122 I128 L129 | I121-G125 PolarHBondContact O-N 3.27Å; I122-G125 PolarHBondContact O-N 3.47Å; I122-G125 VanDerWaalsContact O-N 3.14Å; G125-I128 PolarHBondContact O-N 3.48Å; G125-L129 WeakPolarHBondContact O-CB 3.04Å; G125-L129 PolarHBondContact O-N 3.41Å |
| 126 | V | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V100 I122 A123 I124 I128 L129 V130 | V100-V126 HydrophobicContact CG1-CG1 3.83Å; I122-V126 WeakPolarHBondContact O-CG2 3.36Å; I122-V126 PolarHBondContact O-N 2.84Å; A123-V126 PolarHBondContact O-N 3.02Å; I124-V126 PolarHBondContact O-N 2.83Å; V126-I128 PolarHBondContact O-N 3.35Å; V126-L129 PolarHBondContact O-N 3.08Å; V126-V130 HydrophobicContact CG1-CG2 3.93Å; V126-V130 VanDerWaalsContact O-CB 3.26Å; V126-V130 WeakPolarHBondContact O-CB 3.3Å; V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.37Å; V126-V130 PolarHBondContact O-N 3.23Å |
| 127 | L | 98 | Very high | 97.7 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 176.7 | -79.6 | 170.9 | 0 | 0 | 0 | 112.4 | F101 T105 V108 A123 I124 G131 | F101-L127 HydrophobicContact CD2-CD2 3.77Å; F101-L127 HydrophobicContact CE2-CD2 3.86Å; F101-L127 HydrophobicContact CG-CD2 4.12Å; F101-L127 HydrophobicContact CZ-CD2 4.27Å; F101-L127 VanDerWaalsContact O-CD2 3.31Å; F101-L127 WeakPolarHBondContact O-CD2 3.38Å; T105-L127 VanDerWaalsContact OG1-CD2 3.3Å; T105-L127 WeakPolarHBondContact OG1-CD2 3.3Å; V108-L127 HydrophobicContact CB-CD1 4.5Å; V108-L127 HydrophobicContact CG2-CD1 3.93Å; A123-L127 WeakPolarHBondContact O-CG 3.07Å; A123-L127 PolarHBondContact O-N 3.41Å; I124-L127 WeakPolarHBondContact O-CB 3.33Å; I124-L127 PolarHBondContact O-N 2.92Å; L127-G131 WeakPolarHBondContact O-CA 3.1Å; L127-G131 PolarHBondContact O-N 2.81Å |
| 128 | I | 98.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 67.7 Ų | 67.7 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -50.7 | 179 | -66.4 | 167.7 | 0 | 0 | 0 | 109.8 | I124 G125 V126 G131 L132 | I124-I128 HydrophobicContact CG2-CD1 4.08Å; I124-I128 WeakPolarHBondContact O-CG1 3.5Å; I124-I128 PolarHBondContact O-N 3.41Å; G125-I128 PolarHBondContact O-N 3.48Å; V126-I128 PolarHBondContact O-N 3.35Å; I128-G131 PolarHBondContact O-N 2.89Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.49Å |
| 129 | L | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 55% | 0.55 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | -178.6 | 178.3 | 62.3 | 0 | 0 | 0 | 112 | G125 V126 L132 L133 | G125-L129 WeakPolarHBondContact O-CB 3.04Å; G125-L129 PolarHBondContact O-N 3.41Å; V126-L129 PolarHBondContact O-N 3.08Å; L129-L132 PolarHBondContact O-N 3.49Å; L129-L133 HydrophobicContact CD1-CD1 3.87Å; L129-L133 HydrophobicContact CD1-CG 4.3Å; L129-L133 HydrophobicContact CG-CD1 4.16Å; L129-L133 WeakPolarHBondContact O-CB 3.5Å; L129-L133 WeakPolarHBondContact O-CG 3.34Å; L129-L133 PolarHBondContact O-N 2.9Å |
| 130 | V | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | -179.9 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | M97 V100 F101 V126 L132 L133 L134 | M97-V130 HydrophobicContact CB-CG1 4.04Å; M97-V130 HydrophobicContact CG-CG1 4.37Å; M97-V130 WeakPolarHBondContact O-CG1 3.4Å; V100-V130 HydrophobicContact CG1-CG2 4.08Å; F101-V130 HydrophobicContact CB-CG1 4.13Å; F101-V130 HydrophobicContact CD2-CG1 4.42Å; V126-V130 HydrophobicContact CG1-CG2 3.93Å; V126-V130 VanDerWaalsContact O-CB 3.26Å; V126-V130 WeakPolarHBondContact O-CB 3.3Å; V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.37Å; V126-V130 PolarHBondContact O-N 3.23Å; V130-L132 PolarHBondContact O-N 3.48Å; V130-L133 PolarHBondContact O-N 2.99Å; V130-L134 WeakPolarHBondContact O-CB 3.46Å; V130-L134 PolarHBondContact O-N 3.37Å |
| 131 | G | 97.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L127 I128 L134 | L127-G131 WeakPolarHBondContact O-CA 3.1Å; L127-G131 PolarHBondContact O-N 2.81Å; I128-G131 PolarHBondContact O-N 2.89Å; G131-L134 PolarHBondContact O-N 3.16Å |
| 132 | L | 98 | Very high | 97.7 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.2 | -71.3 | 174 | 0 | 0 | 0 | 112.4 | I128 L129 V130 P136 | I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.49Å; L129-L132 PolarHBondContact O-N 3.49Å; V130-L132 PolarHBondContact O-N 3.48Å; L132-P136 VanDerWaalsContact O-CD 3.29Å; L132-P136 WeakPolarHBondContact O-CD 3.41Å |
| 133 | L | 97.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.8 | -25.2 | -180 | -67.1 | 178.2 | 0 | 0 | 0 | 113.3 | M97 L129 V130 P136 V137 | M97-L133 HydrophobicContact CE-CB 4.24Å; L129-L133 HydrophobicContact CD1-CD1 3.87Å; L129-L133 HydrophobicContact CD1-CG 4.3Å; L129-L133 HydrophobicContact CG-CD1 4.16Å; L129-L133 WeakPolarHBondContact O-CB 3.5Å; L129-L133 WeakPolarHBondContact O-CG 3.34Å; L129-L133 PolarHBondContact O-N 2.9Å; V130-L133 PolarHBondContact O-N 2.99Å; L133-P136 WeakPolarHBondContact O-CD 3.41Å; L133-P136 WeakPolarHBondContact O-CG 3.23Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.37Å |
| 134 | L | 97.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | -179.7 | 176.8 | 61.3 | 0 | 0 | 0 | 111.4 | T94 M97 I98 V130 G131 V137 L138 | T94-L134 HydrophobicContact CG2-CD1 4.2Å; M97-L134 HydrophobicContact CB-CD1 3.82Å; M97-L134 HydrophobicContact SD-CD1 4.44Å; I98-L134 HydrophobicContact CG1-CD1 4.05Å; I98-L134 HydrophobicContact CG1-CD2 4.27Å; V130-L134 WeakPolarHBondContact O-CB 3.46Å; V130-L134 PolarHBondContact O-N 3.37Å; G131-L134 PolarHBondContact O-N 3.16Å; L134-V137 PolarHBondContact O-N 3.22Å; L134-L138 HydrophobicContact CD1-CB 4.21Å; L134-L138 HydrophobicContact CG-CB 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 PolarHBondContact O-N 2.74Å |
| 135 | L | 96.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 58.5 Ų | 58.5 | 66% | 0.66 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -55.6 | -56 | -177.4 | -66 | 178 | 0 | 0 | 0 | 113.9 | V137 G139 | L135-V137 PolarHBondContact O-N 2.87Å; L135-G139 PolarHBondContact O-N 3.42Å |
| 136 | P | 97.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 179 | 25.2 | -34.5 | 0 | 0 | 0 | 112.9 | L132 L133 G139 L140 | L132-P136 VanDerWaalsContact O-CD 3.29Å; L132-P136 WeakPolarHBondContact O-CD 3.41Å; L133-P136 WeakPolarHBondContact O-CD 3.41Å; L133-P136 WeakPolarHBondContact O-CG 3.23Å; P136-G139 PolarHBondContact O-N 3.47Å; P136-L140 WeakPolarHBondContact O-CB 3.17Å; P136-L140 PolarHBondContact O-N 3.35Å |
| 137 | V | 97.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 58 Ų | 58 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | -178.2 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | I93 T94 M97 L133 L134 L135 T141 | I93-V137 HydrophobicContact CG2-CG1 4.11Å; T94-V137 WeakPolarHBondContact OG1-CG1 3.32Å; M97-V137 HydrophobicContact CE-CG2 4.28Å; M97-V137 HydrophobicContact SD-CB 4.22Å; M97-V137 HydrophobicContact SD-CG1 4.28Å; M97-V137 HydrophobicContact SD-CG2 4.31Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.37Å; L134-V137 PolarHBondContact O-N 3.22Å; L135-V137 PolarHBondContact O-N 2.87Å; V137-T141 WeakPolarHBondContact O-CB 3.49Å; V137-T141 PolarHBondContact O-N 2.82Å; V137-T141 PolarHBondContact O-OG1 2.88Å |
| 138 | L | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.414 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 172.5 | -179.9 | 62.8 | 0 | 0 | 0 | 110.9 | T94 L134 T141 G142 | T94-L138 HydrophobicContact CG2-CB 4.35Å; T94-L138 HydrophobicContact CG2-CD1 3.67Å; L134-L138 HydrophobicContact CD1-CB 4.21Å; L134-L138 HydrophobicContact CG-CB 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 PolarHBondContact O-N 2.74Å; L138-T141 PolarHBondContact O-N 2.8Å; L138-G142 PolarHBondContact O-N 2.98Å |
| 139 | G | 97.5 | Very high | 97.2 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L135 P136 G142 F143 | L135-G139 PolarHBondContact O-N 3.42Å; P136-G139 PolarHBondContact O-N 3.47Å; G139-G142 PolarHBondContact O-N 3.09Å; G139-F143 WeakPolarHBondContact O-CB 3.22Å; G139-F143 PolarHBondContact O-N 2.91Å |
| 140 | L | 96.6 | Very high | 97 | Very high | 81 Ų | 81 | 52.6 Ų | 52.6 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.7 | 179.9 | 64.4 | 0 | 0 | 0 | 111.7 | P136 F143 H144 | P136-L140 WeakPolarHBondContact O-CB 3.17Å; P136-L140 PolarHBondContact O-N 3.35Å; L140-F143 PolarHBondContact O-N 3.41Å; L140-H144 PolarHBondContact O-CD2 2.8Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 3.15Å |
| 141 | T | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 111 | P90 T94 V137 L138 F143 H144 I145 | P90-T141 PolarHBondContact O-OG1 3.37Å; T94-T141 PolarHBondContact OG1-OG1 3.49Å; V137-T141 WeakPolarHBondContact O-CB 3.49Å; V137-T141 PolarHBondContact O-N 2.82Å; V137-T141 PolarHBondContact O-OG1 2.88Å; L138-T141 PolarHBondContact O-N 2.8Å; T141-F143 VanDerWaalsContact C-N 3.35Å; T141-F143 PolarHBondContact O-N 2.79Å; T141-H144 PolarHBondContact O-N 3.25Å; T141-I145 HydrophobicContact CG2-CD1 3.97Å; T141-I145 WeakPolarHBondContact O-CB 3.42Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.14Å; T141-I145 PolarHBondContact O-N 2.85Å |
| 142 | G | 98.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L138 G139 I145 F146 | L138-G142 PolarHBondContact O-N 2.98Å; G139-G142 PolarHBondContact O-N 3.09Å; G142-I145 WeakPolarHBondContact O-CB 3.29Å; G142-I145 PolarHBondContact O-N 3.43Å; G142-F146 PolarHBondContact O-N 2.92Å |
| 143 | F | 97.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.1 | 175.4 | -110.3 | 0 | 0 | 0 | 112 | G139 L140 T141 I145 F146 L147 T154 Q157 | G139-F143 WeakPolarHBondContact O-CB 3.22Å; G139-F143 PolarHBondContact O-N 2.91Å; L140-F143 PolarHBondContact O-N 3.41Å; T141-F143 VanDerWaalsContact C-N 3.35Å; T141-F143 PolarHBondContact O-N 2.79Å; F143-I145 VanDerWaalsContact C-N 3.35Å; F143-I145 PolarHBondContact O-N 3.37Å; F143-F146 WeakPolarHBondContact O-CB 3.27Å; F143-F146 PolarHBondContact O-N 3.04Å; F143-L147 HydrophobicContact CD1-CD1 4.02Å; F143-L147 HydrophobicContact CD1-CG 4.43Å; F143-L147 HydrophobicContact CE1-CD1 3.4Å; F143-L147 HydrophobicContact CE1-CG 4.04Å; F143-L147 HydrophobicContact CE2-CD1 4.36Å; F143-L147 HydrophobicContact CE2-CD2 4.18Å; F143-L147 HydrophobicContact CE2-CG 4.17Å; F143-L147 HydrophobicContact CZ-CD1 3.6Å; F143-L147 HydrophobicContact CZ-CD2 4Å; F143-L147 HydrophobicContact CZ-CG 3.89Å; F143-L147 WeakPolarHBondContact O-CG 3.42Å; F143-L147 PolarHBondContact O-N 3.14Å; F143-T154 HydrophobicContact CE1-CG2 4.17Å; F143-T154 HydrophobicContact CZ-CG2 4.45Å; F143-Q157 HydrophobicContact CE2-CG 4.29Å; F143-Q157 HydrophobicContact CZ-CG 4.31Å |
| 144 | H | 96.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -32.4 | 177.5 | -79.1 | -75.1 | 0 | 0 | 0 | 113 | Y83 F87 L140 T141 F146 L147 V148 | Y83-H144 AromaticContact CZ-ND1 3.84Å; Y83-H144 PolarHBondContact OH-ND1 2.96Å; Y83-H144 VanDerWaalsContact OH-ND1 3.13Å; F87-H144 HydrophobicContact CD2-CB 4.01Å; F87-H144 HydrophobicContact CE2-CB 4.39Å; L140-H144 PolarHBondContact O-CD2 2.8Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 3.15Å; T141-H144 PolarHBondContact O-N 3.25Å; H144-F146 VanDerWaalsContact C-N 3.32Å; H144-F146 PolarHBondContact O-N 3.02Å; H144-L147 PolarHBondContact O-N 3.44Å; H144-V148 WeakPolarHBondContact O-CB 3.01Å; H144-V148 VanDerWaalsContact O-CG2 3.27Å; H144-V148 WeakPolarHBondContact O-CG2 3.48Å; H144-V148 PolarHBondContact O-N 3.34Å |
| 145 | I | 97 | Very high | 96.5 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 169.7 | -77.4 | 169.5 | 0 | 0 | 0 | 110.8 | F87 T141 G142 F143 S149 W177 | F87-I145 HydrophobicContact CE2-CG1 3.9Å; F87-I145 HydrophobicContact CZ-CG1 4.07Å; T141-I145 HydrophobicContact CG2-CD1 3.97Å; T141-I145 WeakPolarHBondContact O-CB 3.42Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.14Å; T141-I145 PolarHBondContact O-N 2.85Å; G142-I145 WeakPolarHBondContact O-CB 3.29Å; G142-I145 PolarHBondContact O-N 3.43Å; F143-I145 VanDerWaalsContact C-N 3.35Å; F143-I145 PolarHBondContact O-N 3.37Å; I145-S149 VanDerWaalsContact O-CB 3.3Å; I145-S149 WeakPolarHBondContact O-CB 3.43Å; I145-S149 PolarHBondContact O-N 3.46Å; I145-S149 PolarHBondContact O-OG 3.46Å; I145-W177 HydrophobicContact CG1-CH2 4.03Å; I145-W177 HydrophobicContact CG1-CZ2 4.47Å; I145-W177 HydrophobicContact CG2-CH2 4.22Å; I145-W177 HydrophobicContact CG2-CZ2 3.89Å |
| 146 | F | 96.9 | Very high | 96.5 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.3 | 163 | -93.2 | 0 | 0 | 0 | 111.8 | G142 F143 H144 S149 K150 | G142-F146 PolarHBondContact O-N 2.92Å; F143-F146 WeakPolarHBondContact O-CB 3.27Å; F143-F146 PolarHBondContact O-N 3.04Å; H144-F146 VanDerWaalsContact C-N 3.32Å; H144-F146 PolarHBondContact O-N 3.02Å; F146-S149 PolarHBondContact O-N 3.05Å; F146-K150 HydrophobicContact CD2-CD 4.4Å; F146-K150 HydrophobicContact CE1-CD 4.24Å; F146-K150 HydrophobicContact CE2-CD 3.7Å; F146-K150 HydrophobicContact CE2-CG 4.46Å; F146-K150 HydrophobicContact CZ-CD 3.6Å; F146-K150 PolarHBondContact O-N 3.34Å; F146-K150 VanDerWaalsContact O-N 3.1Å |
| 147 | L | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 178.7 | -72.1 | -174.4 | 0 | 0 | 0 | 112.4 | F143 H144 S149 K150 G151 R152 Q157 | F143-L147 HydrophobicContact CD1-CD1 4.02Å; F143-L147 HydrophobicContact CD1-CG 4.43Å; F143-L147 HydrophobicContact CE1-CD1 3.4Å; F143-L147 HydrophobicContact CE1-CG 4.04Å; F143-L147 HydrophobicContact CE2-CD1 4.36Å; F143-L147 HydrophobicContact CE2-CD2 4.18Å; F143-L147 HydrophobicContact CE2-CG 4.17Å; F143-L147 HydrophobicContact CZ-CD1 3.6Å; F143-L147 HydrophobicContact CZ-CD2 4Å; F143-L147 HydrophobicContact CZ-CG 3.89Å; F143-L147 WeakPolarHBondContact O-CG 3.42Å; F143-L147 PolarHBondContact O-N 3.14Å; H144-L147 PolarHBondContact O-N 3.44Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.5Å; L147-K150 CarbonylContact O-C 3.59Å; L147-K150 PolarHBondContact O-N 2.82Å; L147-G151 PolarHBondContact O-N 2.95Å; L147-R152 HydrophobicContact CD2-CB 4.29Å; L147-R152 PolarHBondContact O-N 2.96Å; L147-Q157 HydrophobicContact CD2-CB 3.65Å; L147-Q157 HydrophobicContact CD2-CG 3.86Å |
| 148 | V | 95.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 175.8 | 168.4 | 0 | 0 | 0 | 0 | 109.9 | Y83 F87 H144 K150 G151 N176 W177 I180 | Y83-V148 HydrophobicContact CE1-CG2 3.94Å; F87-V148 HydrophobicContact CD2-CG2 3.95Å; F87-V148 HydrophobicContact CE2-CG2 3.96Å; H144-V148 WeakPolarHBondContact O-CB 3.01Å; H144-V148 VanDerWaalsContact O-CG2 3.27Å; H144-V148 WeakPolarHBondContact O-CG2 3.48Å; H144-V148 PolarHBondContact O-N 3.34Å; V148-K150 PolarHBondContact O-N 3.21Å; V148-G151 PolarHBondContact O-N 3.08Å; V148-N176 WeakPolarHBondContact O-CB 3.48Å; V148-W177 HydrophobicContact CG1-CD2 3.97Å; V148-W177 HydrophobicContact CG1-CG 3.95Å; V148-I180 HydrophobicContact CB-CG1 4.38Å; V148-I180 HydrophobicContact CG1-CD1 4.49Å; V148-I180 HydrophobicContact CG1-CG1 3.62Å; V148-I180 HydrophobicContact CG2-CD1 4.05Å; V148-I180 HydrophobicContact CG2-CG1 3.83Å |
| 149 | S | 95.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -32.1 | -179.8 | -61 | 0 | 0 | 0 | 0 | 113 | I145 F146 L147 L173 N176 W177 | I145-S149 VanDerWaalsContact O-CB 3.3Å; I145-S149 WeakPolarHBondContact O-CB 3.43Å; I145-S149 PolarHBondContact O-N 3.46Å; I145-S149 PolarHBondContact O-OG 3.46Å; F146-S149 PolarHBondContact O-N 3.05Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.5Å; S149-L173 WeakPolarHBondContact OG-CD1 3.26Å; S149-N176 PolarHBondContact O-ND2 2.93Å; S149-W177 PolarHBondContact OG-NE1 2.93Å |
| 150 | K | 94.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 42.2 Ų | 42.2 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -0.7 | 176.3 | -69.5 | -167.5 | 171.6 | -175.1 | 0 | 115.1 | F146 L147 V148 R152 N167 | F146-K150 HydrophobicContact CD2-CD 4.4Å; F146-K150 HydrophobicContact CE1-CD 4.24Å; F146-K150 HydrophobicContact CE2-CD 3.7Å; F146-K150 HydrophobicContact CE2-CG 4.46Å; F146-K150 HydrophobicContact CZ-CD 3.6Å; F146-K150 PolarHBondContact O-N 3.34Å; F146-K150 VanDerWaalsContact O-N 3.1Å; L147-K150 CarbonylContact O-C 3.59Å; L147-K150 PolarHBondContact O-N 2.82Å; V148-K150 PolarHBondContact O-N 3.21Å; K150-R152 VanDerWaalsContact C-N 3.34Å; K150-R152 HydrophobicContact CB-CG 4.15Å; K150-R152 PolarHBondContact O-N 2.66Å; K150-N167 PolarHBondContact O-ND2 3.45Å |
| 151 | G | 93.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 36 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | L147 V148 N167 N176 | L147-G151 PolarHBondContact O-N 2.95Å; V148-G151 PolarHBondContact O-N 3.08Å; G151-N167 PolarHBondContact O-ND2 2.84Å; G151-N167 VanDerWaalsContact O-ND2 3.09Å; G151-N176 PolarHBondContact N-ND2 3.27Å |
| 152 | R | 95.3 | Very high | 95.2 | Very high | 35 Ų | 35 | 42 Ų | 42 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | trans | -115.7 | 148.2 | -177.5 | -64.3 | 179.2 | -177.6 | -158.6 | -6.8 | 111.6 | L147 K150 Y162 D163 N167 | L147-R152 HydrophobicContact CD2-CB 4.29Å; L147-R152 PolarHBondContact O-N 2.96Å; K150-R152 VanDerWaalsContact C-N 3.34Å; K150-R152 HydrophobicContact CB-CG 4.15Å; K150-R152 PolarHBondContact O-N 2.66Å; R152-Y162 PolarHBondContact NH2-O 3.19Å; R152-D163 IonicContact NH1-OD1 3.72Å; R152-D163 PolarHBondContact NH1-OD1 3Å; R152-N167 WeakPolarHBondContact CG-ND2 3.46Å | ||
| 153 | T | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | trans | -84.8 | 162.4 | 164.4 | 59.8 | 0 | 0 | 0 | 0 | 111 | R53 T66 D68 S155 E156 Q157 | R53-T153 VanDerWaalsContact NH2-CG2 3.35Å; T66-T153 HydrophobicContact CG2-CG2 3.76Å; D68-T153 WeakPolarHBondContact OD2-CA 3.41Å; D68-T153 VanDerWaalsContact OD2-CB 3.3Å; D68-T153 WeakPolarHBondContact OD2-CB 3.27Å; T153-S155 VanDerWaalsContact C-N 3.32Å; T153-S155 PolarHBondContact O-N 3.32Å; T153-E156 WeakPolarHBondContact CB-OE2 3.34Å; T153-E156 PolarHBondContact N-OE2 3.06Å; T153-E156 PolarHBondContact O-N 3.44Å; T153-E156 WeakPolarHBondContact OG1-CB 3.29Å; T153-E156 WeakPolarHBondContact OG1-CG 3.07Å; T153-E156 PolarHBondContact OG1-N 2.8Å; T153-E156 VanDerWaalsContact OG1-N 3.16Å; T153-E156 PolarHBondContact OG1-OE2 3.01Å; T153-Q157 PolarHBondContact O-N 3.08Å | ||
| 154 | T | 97.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 171.8 | -51.8 | 0 | 0 | 0 | 0 | 111 | D68 F143 E156 Q157 V158 | D68-T154 VanDerWaalsContact CG-OG1 3.28Å; D68-T154 VanDerWaalsContact OD1-CB 3.23Å; D68-T154 WeakPolarHBondContact OD1-CB 3.06Å; D68-T154 PolarHBondContact OD1-OG1 3.47Å; D68-T154 PolarHBondContact OD2-N 2.95Å; D68-T154 PolarHBondContact OD2-OG1 3.35Å; F143-T154 HydrophobicContact CE1-CG2 4.17Å; F143-T154 HydrophobicContact CZ-CG2 4.45Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 2.76Å; T154-Q157 PolarHBondContact O-N 3.43Å; T154-V158 HydrophobicContact CG2-CG2 4.18Å; T154-V158 WeakPolarHBondContact O-CB 3.25Å; T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 3.45Å |
| 155 | S | 96.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | D68 T153 Q157 V158 T159 | D68-S155 WeakPolarHBondContact O-CB 3.34Å; D68-S155 PolarHBondContact O-N 3.39Å; D68-S155 VanDerWaalsContact O-N 3.08Å; T153-S155 VanDerWaalsContact C-N 3.32Å; T153-S155 PolarHBondContact O-N 3.32Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; S155-V158 PolarHBondContact O-N 3.14Å; S155-T159 WeakPolarHBondContact O-CB 3.44Å; S155-T159 VanDerWaalsContact O-CG2 3.32Å; S155-T159 WeakPolarHBondContact O-CG2 2.89Å; S155-T159 PolarHBondContact O-N 2.91Å; S155-T159 PolarHBondContact O-OG1 3.05Å |
| 156 | E | 95.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -34.7 | -178.8 | -69.1 | 162.6 | 154.2 | 0 | 0 | 112.4 | R53 T153 T154 S160 K161 Y162 | R53-E156 WeakPolarHBondContact CG-OE1 3.33Å; R53-E156 IonicContact CZ-OE1 3.49Å; R53-E156 IonicContact CZ-OE2 3.51Å; R53-E156 IonicContact NE-OE1 2.74Å; R53-E156 PolarHBondContact NE-OE1 3.38Å; R53-E156 IonicContact NE-OE2 3.01Å; R53-E156 PolarHBondContact NE-OE2 2.95Å; R53-E156 IonicContact NH2-OE1 2.8Å; R53-E156 IonicContact NH2-OE2 3.74Å; R53-E156 PolarHBondContact NH2-OE2 3.39Å; T153-E156 WeakPolarHBondContact CB-OE2 3.34Å; T153-E156 PolarHBondContact N-OE2 3.06Å; T153-E156 PolarHBondContact O-N 3.44Å; T153-E156 WeakPolarHBondContact OG1-CB 3.29Å; T153-E156 WeakPolarHBondContact OG1-CG 3.07Å; T153-E156 PolarHBondContact OG1-N 2.8Å; T153-E156 VanDerWaalsContact OG1-N 3.16Å; T153-E156 PolarHBondContact OG1-OE2 3.01Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 2.76Å; E156-S160 PolarHBondContact O-N 3.48Å; E156-K161 HydrophobicContact CB-CB 4.27Å; E156-K161 HydrophobicContact CB-CD 4.47Å; E156-K161 HydrophobicContact CG-CD 3.87Å; E156-K161 PolarHBondContact O-N 2.92Å; E156-K161 IonicContact OE1-NZ 3.17Å; E156-Y162 HydrophobicContact CB-CD2 4.32Å; E156-Y162 HydrophobicContact CB-CE2 4.04Å; E156-Y162 HydrophobicContact CG-CE2 3.94Å |
| 157 | Q | 96 | Very high | 92.9 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -45.9 | 175.3 | -179.9 | 58.2 | 57.9 | 0 | 0 | 112 | F143 L147 T153 T154 S155 T159 S160 | F143-Q157 HydrophobicContact CE2-CG 4.29Å; F143-Q157 HydrophobicContact CZ-CG 4.31Å; L147-Q157 HydrophobicContact CD2-CB 3.65Å; L147-Q157 HydrophobicContact CD2-CG 3.86Å; T153-Q157 PolarHBondContact O-N 3.08Å; T154-Q157 PolarHBondContact O-N 3.43Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-T159 VanDerWaalsContact C-N 3.3Å; Q157-T159 PolarHBondContact O-N 3.38Å; Q157-S160 PolarHBondContact O-N 3.37Å |
| 158 | V | 95.7 | Very high | 92.8 | Very high | 113 Ų | 113 | 53.7 Ų | 53.7 | 69% | 0.685 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.3 | -32 | -178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | T154 S155 S160 | T154-V158 HydrophobicContact CG2-CG2 4.18Å; T154-V158 WeakPolarHBondContact O-CB 3.25Å; T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 3.45Å; S155-V158 PolarHBondContact O-N 3.14Å; V158-S160 VanDerWaalsContact C-N 3.31Å |
| 159 | T | 92.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.9 | 175.8 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | S155 Q157 K161 | S155-T159 WeakPolarHBondContact O-CB 3.44Å; S155-T159 VanDerWaalsContact O-CG2 3.32Å; S155-T159 WeakPolarHBondContact O-CG2 2.89Å; S155-T159 PolarHBondContact O-N 2.91Å; S155-T159 PolarHBondContact O-OG1 3.05Å; Q157-T159 VanDerWaalsContact C-N 3.3Å; Q157-T159 PolarHBondContact O-N 3.38Å; T159-K161 PolarHBondContact O-N 2.81Å; T159-K161 VanDerWaalsContact O-N 3.08Å |
| 160 | S | 92.5 | Very high | 92.6 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.6 | -178.9 | -75.4 | 0 | 0 | 0 | 0 | 113.9 | E156 Q157 V158 Y162 D163 | E156-S160 PolarHBondContact O-N 3.48Å; Q157-S160 PolarHBondContact O-N 3.37Å; V158-S160 VanDerWaalsContact C-N 3.31Å; S160-Y162 PolarHBondContact O-N 2.74Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; S160-D163 WeakPolarHBondContact CA-OD2 3.27Å; S160-D163 WeakPolarHBondContact CB-OD2 3.26Å; S160-D163 PolarHBondContact O-N 3.3Å; S160-D163 PolarHBondContact OG-OD2 3.02Å |
| 161 | K | 90.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.4 | -166 | -168.3 | -178 | 178.4 | -167.7 | 0 | 113.7 | E156 T159 | E156-K161 HydrophobicContact CB-CB 4.27Å; E156-K161 HydrophobicContact CB-CD 4.47Å; E156-K161 HydrophobicContact CG-CD 3.87Å; E156-K161 PolarHBondContact O-N 2.92Å; E156-K161 IonicContact OE1-NZ 3.17Å; T159-K161 PolarHBondContact O-N 2.81Å; T159-K161 VanDerWaalsContact O-N 3.08Å |
| 162 | Y | 89.7 | Confident | 92.4 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 31.2 | -175.6 | -54.6 | -63.4 | 0 | 0 | 0 | 111.3 | R152 E156 S160 D165 N167 Y169 | R152-Y162 PolarHBondContact NH2-O 3.19Å; E156-Y162 HydrophobicContact CB-CD2 4.32Å; E156-Y162 HydrophobicContact CB-CE2 4.04Å; E156-Y162 HydrophobicContact CG-CE2 3.94Å; S160-Y162 PolarHBondContact O-N 2.74Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; Y162-D165 CarbonylContact C-O 3.58Å; Y162-N167 HydrophobicContact CD1-CB 4.39Å; Y162-N167 HydrophobicContact CD2-CB 4.14Å; Y162-N167 HydrophobicContact CG-CB 3.91Å; Y162-Y169 HydrophobicContact CE2-CD2 4.44Å; Y162-Y169 VanDerWaalsContact OH-CE2 3.27Å; Y162-Y169 WeakPolarHBondContact OH-CE2 3.18Å |
| 163 | D | 86.9 | Confident | 92.3 | Very high | 82 Ų | 82 | 64.6 Ų | 64.6 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -84.8 | -32.5 | -179.7 | -73.1 | -1.9 | 0 | 0 | 0 | 111.7 | R152 S160 | R152-D163 IonicContact NH1-OD1 3.72Å; R152-D163 PolarHBondContact NH1-OD1 3Å; S160-D163 WeakPolarHBondContact CA-OD2 3.27Å; S160-D163 WeakPolarHBondContact CB-OD2 3.26Å; S160-D163 PolarHBondContact O-N 3.3Å; S160-D163 PolarHBondContact OG-OD2 3.02Å |
| 164 | L | 85.8 | Confident | 92.3 | Very high | 173 Ų | 173 | 69.4 Ų | 69.4 | 91% | 0.906 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -99.3 | -18.1 | 173.7 | -59.5 | 178.7 | 0 | 0 | 0 | 113.2 | ||
| 165 | D | 83.5 | Confident | 92.2 | Very high | 106 Ų | 106 | 74.9 Ų | 74.9 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -116.9 | 154.2 | -175.3 | -63.9 | -52.6 | 0 | 0 | 0 | 111.4 | Y162 N167 | Y162-D165 CarbonylContact C-O 3.58Å; D165-N167 PolarHBondContact O-N 3.08Å |
| 166 | M | 88.7 | Confident | 92.1 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 61% | 0.606 | 39% | 0.393 | S | S | * | . | trans | -59.8 | 136 | 171.4 | -177.1 | 177.3 | 65.5 | 0 | 0 | 110.4 | V36 P168 | V36-M166 HydrophobicContact CG2-CB 4.43Å; V36-M166 HydrophobicContact CG2-CE 3.59Å; M166-P168 WeakPolarHBondContact O-CD 3.49Å | ||
| 167 | N | 93.1 | Very high | 92 | Very high | 12 Ų | 12 | 77 Ų | 77 | 6% | 0.064 | 41% | 0.405 | C | S | . | . | trans | -80.5 | 104.8 | 170.6 | 179.8 | 12.9 | 0 | 0 | 0 | 109.6 | K150 G151 R152 Y162 D165 Y169 D170 | K150-N167 PolarHBondContact O-ND2 3.45Å; G151-N167 PolarHBondContact O-ND2 2.84Å; G151-N167 VanDerWaalsContact O-ND2 3.09Å; R152-N167 WeakPolarHBondContact CG-ND2 3.46Å; Y162-N167 HydrophobicContact CD1-CB 4.39Å; Y162-N167 HydrophobicContact CD2-CB 4.14Å; Y162-N167 HydrophobicContact CG-CB 3.91Å; D165-N167 PolarHBondContact O-N 3.08Å; N167-Y169 PolarHBondContact O-N 2.91Å; N167-Y169 VanDerWaalsContact O-N 3.08Å; N167-Y169 WeakPolarHBondContact OD1-CB 3.49Å; N167-Y169 WeakPolarHBondContact OD1-CD2 3.24Å; N167-Y169 PolarHBondContact OD1-N 2.97Å; N167-D170 HydrophobicContact CB-CB 4.18Å; N167-D170 PolarHBondContact O-N 2.76Å; N167-D170 VanDerWaalsContact O-N 3.15Å | ||
| 168 | P | 92.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 79.8 Ų | 79.8 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.5 | -178.5 | 31.6 | -36.3 | 0 | 0 | 0 | 112.7 | I33 I34 V36 M166 | I33-P168 HydrophobicContact CG2-CB 4.24Å; I33-P168 HydrophobicContact CG2-CG 4.23Å; I33-P168 WeakPolarHBondContact O-CB 3.42Å; I34-P168 HydrophobicContact CB-CB 4.25Å; I34-P168 HydrophobicContact CD1-CB 4.47Å; I34-P168 WeakPolarHBondContact CD1-O 3.27Å; V36-P168 HydrophobicContact CB-CB 4.43Å; V36-P168 HydrophobicContact CB-CG 4.33Å; V36-P168 HydrophobicContact CG2-CB 4.1Å; V36-P168 HydrophobicContact CG2-CG 4.35Å; M166-P168 WeakPolarHBondContact O-CD 3.49Å |
| 169 | Y | 92.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.2 Ų | 77.2 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -8 | 178.6 | -54.1 | -75.6 | 0 | 0 | 0 | 113.3 | I33 P52 R53 Y162 N167 R171 | I33-Y169 VanDerWaalsContact CD1-OH 3.29Å; I33-Y169 WeakPolarHBondContact CD1-OH 3.41Å; I33-Y169 HydrophobicContact CG2-CE1 4.45Å; P52-Y169 WeakPolarHBondContact CB-OH 3.12Å; R53-Y169 HydrophobicContact CG-CD2 4.23Å; R53-Y169 HydrophobicContact CG-CE1 4.17Å; R53-Y169 HydrophobicContact CG-CE2 3.68Å; Y162-Y169 HydrophobicContact CE2-CD2 4.44Å; Y162-Y169 VanDerWaalsContact OH-CE2 3.27Å; Y162-Y169 WeakPolarHBondContact OH-CE2 3.18Å; N167-Y169 PolarHBondContact O-N 2.91Å; N167-Y169 VanDerWaalsContact O-N 3.08Å; N167-Y169 WeakPolarHBondContact OD1-CB 3.49Å; N167-Y169 WeakPolarHBondContact OD1-CD2 3.24Å; N167-Y169 PolarHBondContact OD1-N 2.97Å; Y169-R171 PolarHBondContact O-N 2.93Å |
| 170 | D | 94.1 | Very high | 91.2 | Very high | 73 Ų | 73 | 74.1 Ų | 74.1 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | trans | -78 | 113.9 | 171.9 | -170.9 | -6.4 | 0 | 0 | 0 | 109.7 | N167 G172 N176 | N167-D170 HydrophobicContact CB-CB 4.18Å; N167-D170 PolarHBondContact O-N 2.76Å; N167-D170 VanDerWaalsContact O-N 3.15Å; D170-G172 PolarHBondContact OD1-N 2.89Å; D170-N176 PolarHBondContact OD1-ND2 2.93Å | ||
| 171 | R | 91.8 | Very high | 90.8 | Very high | 146 Ų | 146 | 76.4 Ų | 76.4 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | trans | -106.1 | 12.2 | -179.7 | -57.9 | 176.8 | -171.4 | 174 | 1.2 | 112 | Y169 K175 N176 | Y169-R171 PolarHBondContact O-N 2.93Å; R171-K175 HydrophobicContact CB-CB 3.67Å; R171-K175 HydrophobicContact CB-CD 4.11Å; R171-K175 WeakPolarHBondContact O-CB 3.26Å; R171-K175 WeakPolarHBondContact O-CD 3.42Å; R171-N176 PolarHBondContact N-OD1 3.46Å | ||
| 172 | G | 93.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 76.9 Ų | 76.9 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | trans | 85.8 | 158.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D170 C174 K175 N176 | D170-G172 PolarHBondContact OD1-N 2.89Å; G172-C174 PolarHBondContact O-N 3.17Å; G172-K175 PolarHBondContact O-N 3.36Å; G172-K175 VanDerWaalsContact O-N 3.17Å; G172-N176 PolarHBondContact O-N 3.38Å; G172-N176 PolarHBondContact O-ND2 2.97Å; G172-N176 PolarHBondContact O-OD1 3.18Å | ||
| 173 | L | 93.5 | Very high | 89.3 | Confident | 105 Ų | 105 | 79 Ų | 79 | 55% | 0.55 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -47.6 | -62.6 | -169.3 | -173.6 | 68.1 | 0 | 0 | 0 | 112.6 | S149 K175 N176 W177 | S149-L173 WeakPolarHBondContact OG-CD1 3.26Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.15Å; L173-N176 PolarHBondContact O-N 2.77Å; L173-W177 PolarHBondContact O-N 3.07Å |
| 174 | C | 95.1 | Very high | 87.6 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 72% | 0.723 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | G172 L178 | G172-C174 PolarHBondContact O-N 3.17Å; C174-L178 VanDerWaalsContact O-CB 3.29Å; C174-L178 WeakPolarHBondContact O-CB 3.38Å; C174-L178 PolarHBondContact O-N 3.42Å |
| 175 | K | 94.4 | Very high | 87.7 | Confident | 139 Ų | 139 | 75.7 Ų | 75.7 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.3 | -34.8 | -179 | -65.7 | -173.1 | -171.7 | 170.6 | 0 | 111.9 | R171 G172 L173 L178 H179 | R171-K175 HydrophobicContact CB-CB 3.67Å; R171-K175 HydrophobicContact CB-CD 4.11Å; R171-K175 WeakPolarHBondContact O-CB 3.26Å; R171-K175 WeakPolarHBondContact O-CD 3.42Å; G172-K175 PolarHBondContact O-N 3.36Å; G172-K175 VanDerWaalsContact O-N 3.17Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.15Å; K175-L178 PolarHBondContact O-N 3.38Å; K175-H179 WeakPolarHBondContact O-CB 3.41Å; K175-H179 PolarHBondContact O-N 3.47Å |
| 176 | N | 94.4 | Very high | 87.9 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.032 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.8 | -63.7 | -19.4 | 0 | 0 | 0 | 111.3 | V148 S149 G151 D170 R171 G172 L173 H179 I180 | V148-N176 WeakPolarHBondContact O-CB 3.48Å; S149-N176 PolarHBondContact O-ND2 2.93Å; G151-N176 PolarHBondContact N-ND2 3.27Å; D170-N176 PolarHBondContact OD1-ND2 2.93Å; R171-N176 PolarHBondContact N-OD1 3.46Å; G172-N176 PolarHBondContact O-N 3.38Å; G172-N176 PolarHBondContact O-ND2 2.97Å; G172-N176 PolarHBondContact O-OD1 3.18Å; L173-N176 PolarHBondContact O-N 2.77Å; N176-H179 WeakPolarHBondContact O-CB 3.32Å; N176-H179 PolarHBondContact O-N 3.14Å; N176-I180 PolarHBondContact O-N 2.73Å |
| 177 | W | 93.6 | Very high | 87.9 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 27% | 0.269 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.8 | -79 | 74 | 0 | 0 | 0 | 111.5 | F87 I145 V148 S149 L173 H179 I180 F181 | F87-W177 HydrophobicContact CE1-CZ3 4.07Å; F87-W177 HydrophobicContact CZ-CE3 4.38Å; F87-W177 AromaticContact CZ-CH2 3.99Å; F87-W177 HydrophobicContact CZ-CH2 3.99Å; F87-W177 AromaticContact CZ-CZ3 3.7Å; F87-W177 HydrophobicContact CZ-CZ3 3.7Å; I145-W177 HydrophobicContact CG1-CH2 4.03Å; I145-W177 HydrophobicContact CG1-CZ2 4.47Å; I145-W177 HydrophobicContact CG2-CH2 4.22Å; I145-W177 HydrophobicContact CG2-CZ2 3.89Å; V148-W177 HydrophobicContact CG1-CD2 3.97Å; V148-W177 HydrophobicContact CG1-CG 3.95Å; S149-W177 PolarHBondContact OG-NE1 2.93Å; L173-W177 PolarHBondContact O-N 3.07Å; W177-H179 PolarHBondContact O-N 2.98Å; W177-I180 WeakPolarHBondContact O-CB 3.26Å; W177-I180 PolarHBondContact O-N 3.41Å; W177-F181 HydrophobicContact CE3-CE2 4.01Å; W177-F181 HydrophobicContact CE3-CZ 4.38Å; W177-F181 WeakPolarHBondContact O-CD2 3.32Å; W177-F181 PolarHBondContact O-N 3.09Å |
| 178 | L | 93.2 | Very high | 87.6 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.3 | -37.2 | 175.1 | -171.2 | 69.1 | 0 | 0 | 0 | 111.7 | C174 K175 I180 F181 C182 | C174-L178 VanDerWaalsContact O-CB 3.29Å; C174-L178 WeakPolarHBondContact O-CB 3.38Å; C174-L178 PolarHBondContact O-N 3.42Å; K175-L178 PolarHBondContact O-N 3.38Å; L178-I180 VanDerWaalsContact C-N 3.28Å; L178-I180 PolarHBondContact O-N 3.05Å; L178-F181 PolarHBondContact O-N 3.12Å; L178-C182 WeakPolarHBondContact CD1-SG 3.43Å; L178-C182 HydrophobicContact CG-CB 4.34Å; L178-C182 VanDerWaalsContact O-CB 3.25Å; L178-C182 WeakPolarHBondContact O-CB 3.43Å; L178-C182 PolarHBondContact O-N 3.29Å |
| 179 | H | 88.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 176.8 | -175.3 | 64 | 0 | 0 | 0 | 112.2 | K175 N176 W177 F181 T183 | K175-H179 WeakPolarHBondContact O-CB 3.41Å; K175-H179 PolarHBondContact O-N 3.47Å; N176-H179 WeakPolarHBondContact O-CB 3.32Å; N176-H179 PolarHBondContact O-N 3.14Å; W177-H179 PolarHBondContact O-N 2.98Å; H179-F181 VanDerWaalsContact C-N 3.34Å; H179-F181 PolarHBondContact O-N 3.19Å; H179-T183 VanDerWaalsContact CE1-CG2 3.45Å; H179-T183 WeakPolarHBondContact CE1-CG2 2.93Å; H179-T183 PolarHBondContact CE1-OG1 3.22Å; H179-T183 VanDerWaalsContact CE1-OG1 3.26Å; H179-T183 WeakPolarHBondContact ND1-CG2 3.42Å; H179-T183 PolarHBondContact ND1-OG1 3.26Å; H179-T183 WeakPolarHBondContact O-CB 3.13Å; H179-T183 PolarHBondContact O-N 3.4Å; H179-T183 PolarHBondContact O-OG1 2.94Å |
| 180 | I | 86.8 | Confident | 86.8 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 178.9 | -57.8 | -54 | 0 | 0 | 0 | 112.3 | Y83 F87 V148 N176 W177 L178 | Y83-I180 HydrophobicContact CD1-CD1 3.87Å; Y83-I180 HydrophobicContact CE1-CD1 3.9Å; F87-I180 HydrophobicContact CB-CG2 4.43Å; F87-I180 HydrophobicContact CD1-CG2 3.96Å; F87-I180 HydrophobicContact CG-CG2 4.36Å; V148-I180 HydrophobicContact CB-CG1 4.38Å; V148-I180 HydrophobicContact CG1-CD1 4.49Å; V148-I180 HydrophobicContact CG1-CG1 3.62Å; V148-I180 HydrophobicContact CG2-CD1 4.05Å; V148-I180 HydrophobicContact CG2-CG1 3.83Å; N176-I180 PolarHBondContact O-N 2.73Å; W177-I180 WeakPolarHBondContact O-CB 3.26Å; W177-I180 PolarHBondContact O-N 3.41Å; L178-I180 VanDerWaalsContact C-N 3.28Å; L178-I180 PolarHBondContact O-N 3.05Å |
| 181 | F | 84 | Confident | 86.3 | Confident | 112 Ų | 112 | 82.5 Ų | 82.5 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -88.5 | -29.1 | -177.5 | -60.2 | -68.6 | 0 | 0 | 0 | 113.5 | F87 L88 W177 L178 H179 | F87-F181 HydrophobicContact CE1-CZ 4.34Å; L88-F181 HydrophobicContact CD2-CE1 3.86Å; W177-F181 HydrophobicContact CE3-CE2 4.01Å; W177-F181 HydrophobicContact CE3-CZ 4.38Å; W177-F181 WeakPolarHBondContact O-CD2 3.32Å; W177-F181 PolarHBondContact O-N 3.09Å; L178-F181 PolarHBondContact O-N 3.12Å; H179-F181 VanDerWaalsContact C-N 3.34Å; H179-F181 PolarHBondContact O-N 3.19Å |
| 182 | C | 81.8 | Confident | 85.9 | Confident | 86 Ų | 86 | 77.6 Ų | 77.6 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -104.2 | -13.8 | -172.5 | -65.5 | 0 | 0 | 0 | 0 | 114.6 | L178 | L178-C182 WeakPolarHBondContact CD1-SG 3.43Å; L178-C182 HydrophobicContact CG-CB 4.34Å; L178-C182 VanDerWaalsContact O-CB 3.25Å; L178-C182 WeakPolarHBondContact O-CB 3.43Å; L178-C182 PolarHBondContact O-N 3.29Å |
| 183 | T | 66 | Low | 85.3 | Confident | 53 Ų | 53 | 81.1 Ų | 81.1 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | trans | -96.9 | 125.2 | 173.8 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | H179 | H179-T183 VanDerWaalsContact CE1-CG2 3.45Å; H179-T183 WeakPolarHBondContact CE1-CG2 2.93Å; H179-T183 PolarHBondContact CE1-OG1 3.22Å; H179-T183 VanDerWaalsContact CE1-OG1 3.26Å; H179-T183 WeakPolarHBondContact ND1-CG2 3.42Å; H179-T183 PolarHBondContact ND1-OG1 3.26Å; H179-T183 WeakPolarHBondContact O-CB 3.13Å; H179-T183 PolarHBondContact O-N 3.4Å; H179-T183 PolarHBondContact O-OG1 2.94Å | ||
| 184 | S | 51.9 | Low | 84.5 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 77% | 0.769 | 43% | 0.429 | S | S | * | . | trans | -111.7 | 0 | 169.8 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | R84 | R84-S184 PolarHBondContact NH1-OG 3.33Š|
Retrieved 184 of 184 residues in 94.6 ms
(Link to these results)