| 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 | 79 | Confident | 93.2 | Very high | 140 Ų | 140 | 55.4 Ų | 55.4 | 69% | 0.69 | 30% | 0.3 | S | S | * | . | 0 | 151.6 | 0 | -68.2 | -159.5 | -67.5 | 0 | 0 | 108.6 | L3 N4 R53 | M1-L3 PolarHBondContact O-N 3.25Å; M1-L3 VanDerWaalsContact O-N 3.13Å; M1-N4 CarbonylContact O-C 3.57Å; M1-N4 PolarHBondContact O-N 3.03Å; M1-R53 PolarHBondContact N-O 2.79Å | |||
| 2 | A | 88.4 | Confident | 93.3 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W55 H57 L97 | A2-W55 VanDerWaalsContact CA-CG 3.43Å; A2-W55 HydrophobicContact CB-CD2 3.72Å; A2-W55 HydrophobicContact CB-CE3 4.02Å; A2-W55 HydrophobicContact CB-CG 4.18Å; A2-W55 HydrophobicContact CB-CH2 4.11Å; A2-W55 HydrophobicContact CB-CZ2 3.82Å; A2-W55 HydrophobicContact CB-CZ3 4.22Å; A2-H57 PolarHBondContact O-NE2 3.5Å; A2-L97 HydrophobicContact CB-CB 4.22Å; A2-L97 HydrophobicContact CB-CD2 3.68Å |
| 3 | L | 88.3 | Confident | 92.8 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.6 | -177.8 | -52.9 | -174.1 | 0 | 0 | 0 | 113.9 | M1 W89 A100 | M1-L3 PolarHBondContact O-N 3.25Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-W89 HydrophobicContact CD2-CD2 3.78Å; L3-W89 HydrophobicContact CD2-CE3 4.48Å; L3-W89 HydrophobicContact CD2-CG 4.04Å; L3-W89 HydrophobicContact CD2-CH2 4.45Å; L3-W89 HydrophobicContact CD2-CZ2 3.75Å; L3-A100 HydrophobicContact CD1-CB 3.61Å |
| 4 | N | 90.9 | Very high | 91.6 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -121.6 | 81.2 | 170.3 | -173.4 | 18.8 | 0 | 0 | 0 | 108.3 | M1 | M1-N4 CarbonylContact O-C 3.57Å; M1-N4 PolarHBondContact O-N 3.03Å |
| 5 | P | 95.7 | Very high | 90.1 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | trans | -70.6 | 148.4 | -173.5 | 32.1 | -37.4 | 0 | 0 | 0 | 111.3 | F7 W55 H57 | P5-F7 PolarHBondContact O-N 3.19Å; P5-W55 CarbonylContact C-O 3.58Å; P5-W55 WeakPolarHBondContact CA-O 3.5Å; P5-H57 HydrophobicContact CB-CB 4.26Å; P5-H57 HydrophobicContact CG-CB 4.38Å | ||
| 6 | L | 96.7 | Very high | 88.6 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 52% | 0.518 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -60 | -35.8 | 171.2 | -65.7 | 173.9 | 0 | 0 | 0 | 111.6 | R54 W55 A74 | L6-R54 HydrophobicContact CD1-CB 4.02Å; L6-R54 HydrophobicContact CD1-CG 4.43Å; L6-W55 WeakPolarHBondContact CB-O 3.37Å; L6-W55 WeakPolarHBondContact CG-O 2.97Å; L6-W55 PolarHBondContact N-O 2.97Å; L6-A74 HydrophobicContact CD1-CB 4.06Å |
| 7 | F | 97.9 | Very high | 88.1 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | trans | -160.1 | 164.6 | 174.1 | 62.1 | -91 | 0 | 0 | 0 | 110.1 | P5 V9 R29 V30 F56 H57 | P5-F7 PolarHBondContact O-N 3.19Å; F7-V9 HydrophobicContact CD2-CG1 3.97Å; F7-V9 HydrophobicContact CE2-CG1 3.89Å; F7-R29 HydrophobicContact CD1-CB 3.96Å; F7-R29 HydrophobicContact CD2-CB 4.43Å; F7-R29 HydrophobicContact CE1-CB 3.52Å; F7-R29 HydrophobicContact CE2-CB 4.03Å; F7-R29 HydrophobicContact CG-CB 4.4Å; F7-R29 HydrophobicContact CZ-CB 3.56Å; F7-V30 HydrophobicContact CE1-CG1 4.03Å; F7-V30 HydrophobicContact CZ-CG1 3.7Å; F7-F56 HydrophobicContact CD1-CB 4.09Å; F7-F56 HydrophobicContact CD2-CB 4.09Å; F7-F56 HydrophobicContact CE1-CB 3.72Å; F7-F56 HydrophobicContact CE1-CG 4.22Å; F7-F56 HydrophobicContact CE2-CB 3.73Å; F7-F56 AromaticContact CE2-CD2 3.63Å; F7-F56 HydrophobicContact CE2-CD2 3.63Å; F7-F56 HydrophobicContact CE2-CE2 4.48Å; F7-F56 AromaticContact CE2-CG 3.88Å; F7-F56 HydrophobicContact CE2-CG 3.88Å; F7-F56 HydrophobicContact CG-CB 4.25Å; F7-F56 HydrophobicContact CZ-CB 3.52Å; F7-F56 HydrophobicContact CZ-CD1 4.29Å; F7-F56 AromaticContact CZ-CD2 3.76Å; F7-F56 HydrophobicContact CZ-CD2 3.76Å; F7-F56 AromaticContact CZ-CG 3.61Å; F7-F56 HydrophobicContact CZ-CG 3.61Å; F7-F56 WeakPolarHBondContact O-CA 3Å; F7-F56 WeakPolarHBondContact O-CB 3.47Å; F7-H57 PolarHBondContact O-N 2.9Å | ||
| 8 | T | 98.3 | Very high | 88.2 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.7 | 169.8 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | R29 H57 V59 | T8-R29 PolarHBondContact O-NH1 2.76Å; T8-H57 WeakPolarHBondContact CA-O 3.33Å; T8-H57 HydrophobicContact CG2-CB 4.06Å; T8-V59 HydrophobicContact CG2-CG2 3.6Å |
| 9 | V | 97.5 | Very high | 88.6 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.1 | 167.4 | -71.4 | 0 | 0 | 0 | 0 | 109 | F7 F22 I26 R29 H57 V58 V59 | F7-V9 HydrophobicContact CD2-CG1 3.97Å; F7-V9 HydrophobicContact CE2-CG1 3.89Å; V9-F22 HydrophobicContact CB-CD2 4.41Å; V9-F22 HydrophobicContact CB-CE2 4Å; V9-F22 HydrophobicContact CG2-CE2 3.74Å; V9-I26 HydrophobicContact CB-CG1 4.4Å; V9-I26 HydrophobicContact CG1-CG1 4.15Å; V9-I26 HydrophobicContact CG2-CD1 4Å; V9-I26 HydrophobicContact CG2-CG1 3.74Å; V9-R29 VanDerWaalsContact CG1-NH1 3.28Å; V9-H57 PolarHBondContact N-O 3.33Å; V9-V58 HydrophobicContact CG2-CB 4.23Å; V9-V58 HydrophobicContact CG2-CG1 4.29Å; V9-V58 HydrophobicContact CG2-CG2 3.8Å; V9-V58 CarbonylContact O-C 3.41Å; V9-V58 WeakPolarHBondContact O-CA 3.39Å; V9-V59 PolarHBondContact O-N 3.38Å |
| 10 | T | 96.3 | Very high | 89 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.362 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.6 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 109 | V59 R61 | T10-V59 CarbonylContact C-O 3.59Å; T10-V59 VanDerWaalsContact CA-O 3.26Å; T10-V59 WeakPolarHBondContact CA-O 3.45Å; T10-V59 HydrophobicContact CG2-CB 4.31Å; T10-V59 HydrophobicContact CG2-CG1 4.29Å; T10-R61 HydrophobicContact CG2-CG 4.31Å |
| 11 | F | 96.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120.2 | 169.2 | -178.4 | -110.3 | 0 | 0 | 0 | 109.3 | V13 D17 Y19 F22 V59 L60 R61 M135 | F11-V13 HydrophobicContact CD1-CG2 4.1Å; F11-V13 HydrophobicContact CE1-CG2 4.28Å; F11-V13 PolarHBondContact O-N 3.27Å; F11-D17 HydrophobicContact CD2-CB 3.86Å; F11-D17 HydrophobicContact CE2-CB 3.6Å; F11-Y19 HydrophobicContact CE1-CD2 4.01Å; F11-Y19 HydrophobicContact CE2-CD2 4.16Å; F11-Y19 AromaticContact CZ-CD2 3.77Å; F11-Y19 HydrophobicContact CZ-CD2 3.77Å; F11-Y19 HydrophobicContact CZ-CG 4.33Å; F11-F22 HydrophobicContact CB-CD1 4.04Å; F11-F22 HydrophobicContact CB-CD2 3.74Å; F11-F22 HydrophobicContact CB-CE1 4.04Å; F11-F22 HydrophobicContact CB-CE2 3.74Å; F11-F22 HydrophobicContact CB-CG 3.89Å; F11-F22 HydrophobicContact CB-CZ 3.89Å; F11-F22 HydrophobicContact CD2-CB 3.86Å; F11-F22 HydrophobicContact CD2-CD1 4.03Å; F11-F22 HydrophobicContact CD2-CD2 4.45Å; F11-F22 AromaticContact CD2-CG 3.86Å; F11-F22 HydrophobicContact CD2-CG 3.86Å; F11-F22 AromaticContact CG-CD1 4Å; F11-F22 HydrophobicContact CG-CD1 4Å; F11-F22 HydrophobicContact CG-CD2 4.42Å; F11-F22 HydrophobicContact CG-CE1 4.28Å; F11-F22 HydrophobicContact CG-CG 4.07Å; F11-V59 PolarHBondContact N-O 3.28Å; F11-L60 HydrophobicContact CB-CD2 4.05Å; F11-L60 HydrophobicContact CD1-CD2 4.37Å; F11-R61 PolarHBondContact O-N 3.33Å; F11-M135 HydrophobicContact CD1-SD 3.95Å; F11-M135 HydrophobicContact CE1-SD 3.76Å |
| 12 | D | 93.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 100.7 | 175.6 | -79.3 | -66.2 | 0 | 0 | 0 | 109.4 | S14 S15 D17 R61 | D12-S14 PolarHBondContact O-N 3.06Å; D12-S15 WeakPolarHBondContact CB-OG 3.23Å; D12-S15 PolarHBondContact O-N 2.93Å; D12-S15 PolarHBondContact O-OG 3.09Å; D12-D17 PolarHBondContact N-OD2 2.64Å; D12-R61 CarbonylContact C-O 3.55Å; D12-R61 WeakPolarHBondContact OD1-CB 3.3Å; D12-R61 WeakPolarHBondContact OD1-CD 3.44Å |
| 13 | V | 86.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.9 | -173.4 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | F11 R61 M135 A136 | F11-V13 HydrophobicContact CD1-CG2 4.1Å; F11-V13 HydrophobicContact CE1-CG2 4.28Å; F11-V13 PolarHBondContact O-N 3.27Å; V13-R61 WeakPolarHBondContact CB-O 3.49Å; V13-R61 WeakPolarHBondContact CG2-O 3.3Å; V13-R61 PolarHBondContact N-O 2.86Å; V13-M135 HydrophobicContact CB-SD 4.45Å; V13-M135 HydrophobicContact CG1-CB 3.97Å; V13-M135 HydrophobicContact CG1-CG 3.87Å; V13-M135 HydrophobicContact CG1-SD 4.01Å; V13-M135 HydrophobicContact CG2-CG 3.76Å; V13-M135 HydrophobicContact CG2-SD 3.71Å; V13-A136 HydrophobicContact CG1-CB 4.14Å |
| 14 | S | 76.4 | Confident | 91.1 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -10.3 | 179.7 | 45.6 | 0 | 0 | 0 | 0 | 113.6 | D12 A62 | D12-S14 PolarHBondContact O-N 3.06Å; S14-A62 WeakPolarHBondContact CB-O 3.41Å; S14-A62 PolarHBondContact OG-O 3.17Å |
| 15 | S | 70 | Confident | 91.4 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 160.7 | 176 | 81.7 | 0 | 0 | 0 | 0 | 110.2 | D12 D17 | D12-S15 WeakPolarHBondContact CB-OG 3.23Å; D12-S15 PolarHBondContact O-N 2.93Å; D12-S15 PolarHBondContact O-OG 3.09Å; S15-D17 PolarHBondContact O-N 3.25Å; S15-D17 WeakPolarHBondContact OG-CB 3.47Å; S15-D17 PolarHBondContact OG-N 2.96Å; S15-D17 PolarHBondContact OG-OD1 2.99Å; S15-D17 PolarHBondContact OG-OD2 3.18Å |
| 16 | G | 66.2 | Low | 91.6 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 21 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N18 | G16-N18 PolarHBondContact O-N 2.82Š|
| 17 | D | 78.8 | Confident | 91.7 | Very high | 69 Ų | 69 | 41 Ų | 41 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | trans | -50 | 134.7 | 178 | -87.9 | -2.3 | 0 | 0 | 0 | 110.5 | F11 D12 S15 Y19 | F11-D17 HydrophobicContact CD2-CB 3.86Å; F11-D17 HydrophobicContact CE2-CB 3.6Å; D12-D17 PolarHBondContact N-OD2 2.64Å; S15-D17 PolarHBondContact O-N 3.25Å; S15-D17 WeakPolarHBondContact OG-CB 3.47Å; S15-D17 PolarHBondContact OG-N 2.96Å; S15-D17 PolarHBondContact OG-OD1 2.99Å; S15-D17 PolarHBondContact OG-OD2 3.18Å; D17-Y19 PolarHBondContact O-N 3.18Å | ||
| 18 | N | 90.7 | Very high | 91.7 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | trans | -74 | 99.5 | 178.1 | -173.7 | -15.8 | 0 | 0 | 0 | 109.6 | G16 G20 D21 F22 | G16-N18 PolarHBondContact O-N 2.82Å; N18-G20 PolarHBondContact O-N 3.35Å; N18-G20 WeakPolarHBondContact OD1-CA 3.34Å; N18-G20 PolarHBondContact OD1-N 2.55Å; N18-D21 HydrophobicContact CB-CB 4.06Å; N18-D21 WeakPolarHBondContact CB-OD2 3.11Å; N18-D21 VanDerWaalsContact CG-CG 3.48Å; N18-D21 VanDerWaalsContact CG-OD2 3.23Å; N18-D21 PolarHBondContact ND2-OD1 3.22Å; N18-D21 PolarHBondContact ND2-OD2 3.21Å; N18-D21 PolarHBondContact O-N 3.1Å; N18-D21 PolarHBondContact OD1-N 2.92Å; N18-F22 PolarHBondContact O-N 3Å | ||
| 19 | Y | 95.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.3 | -35.3 | 176.7 | 177.8 | -92.9 | 0 | 0 | 0 | 112.9 | F11 D17 F22 I23 M135 M169 A173 V183 A184 M187 | F11-Y19 HydrophobicContact CE1-CD2 4.01Å; F11-Y19 HydrophobicContact CE2-CD2 4.16Å; F11-Y19 AromaticContact CZ-CD2 3.77Å; F11-Y19 HydrophobicContact CZ-CD2 3.77Å; F11-Y19 HydrophobicContact CZ-CG 4.33Å; D17-Y19 PolarHBondContact O-N 3.18Å; Y19-F22 HydrophobicContact CD2-CD1 4.26Å; Y19-F22 HydrophobicContact CE2-CD1 4.35Å; Y19-F22 PolarHBondContact O-N 2.95Å; Y19-I23 HydrophobicContact CD1-CG1 4.24Å; Y19-I23 HydrophobicContact CE1-CD1 4.48Å; Y19-I23 HydrophobicContact CE1-CG1 3.7Å; Y19-I23 HydrophobicContact CE2-CD1 4.19Å; Y19-I23 HydrophobicContact CE2-CG1 4.06Å; Y19-I23 WeakPolarHBondContact O-CG1 3.42Å; Y19-I23 PolarHBondContact O-N 2.8Å; Y19-I23 VanDerWaalsContact O-N 3.07Å; Y19-M135 HydrophobicContact CE2-CE 4.33Å; Y19-M169 WeakPolarHBondContact CE2-O 3.38Å; Y19-M169 PolarHBondContact OH-O 3.09Å; Y19-A173 WeakPolarHBondContact OH-CB 3.37Å; Y19-V183 HydrophobicContact CD1-CB 4.4Å; Y19-V183 HydrophobicContact CD1-CG1 4.15Å; Y19-V183 HydrophobicContact CD2-CG1 4.32Å; Y19-V183 HydrophobicContact CE1-CB 3.58Å; Y19-V183 HydrophobicContact CE1-CG1 3.54Å; Y19-V183 HydrophobicContact CE2-CG1 3.73Å; Y19-V183 HydrophobicContact CG-CG1 4.5Å; Y19-V183 WeakPolarHBondContact OH-CG1 3.22Å; Y19-A184 HydrophobicContact CD1-CB 3.87Å; Y19-M187 HydrophobicContact CD2-CG 4.4Å; Y19-M187 HydrophobicContact CG-CG 4.24Å |
| 20 | G | 95.7 | Very high | 91.7 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N18 I23 A24 | N18-G20 PolarHBondContact O-N 3.35Å; N18-G20 WeakPolarHBondContact OD1-CA 3.34Å; N18-G20 PolarHBondContact OD1-N 2.55Å; G20-I23 PolarHBondContact O-N 3.46Å; G20-A24 WeakPolarHBondContact O-CB 3.26Å; G20-A24 PolarHBondContact O-N 3.03Å |
| 21 | D | 95.9 | Very high | 91.8 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 178.6 | -63.7 | -20.1 | 0 | 0 | 0 | 111.3 | N18 I23 A24 G25 | N18-D21 HydrophobicContact CB-CB 4.06Å; N18-D21 WeakPolarHBondContact CB-OD2 3.11Å; N18-D21 VanDerWaalsContact CG-CG 3.48Å; N18-D21 VanDerWaalsContact CG-OD2 3.23Å; N18-D21 PolarHBondContact ND2-OD1 3.22Å; N18-D21 PolarHBondContact ND2-OD2 3.21Å; N18-D21 PolarHBondContact O-N 3.1Å; N18-D21 PolarHBondContact OD1-N 2.92Å; D21-I23 PolarHBondContact O-N 2.81Å; D21-A24 PolarHBondContact O-N 3.22Å; D21-G25 PolarHBondContact O-N 3.22Å |
| 22 | F | 97.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.4 | -50.9 | 173.2 | 163.3 | -110.9 | 0 | 0 | 0 | 111.8 | V9 F11 N18 Y19 G25 I26 V58 L60 | V9-F22 HydrophobicContact CB-CD2 4.41Å; V9-F22 HydrophobicContact CB-CE2 4Å; V9-F22 HydrophobicContact CG2-CE2 3.74Å; F11-F22 HydrophobicContact CB-CD1 4.04Å; F11-F22 HydrophobicContact CB-CD2 3.74Å; F11-F22 HydrophobicContact CB-CE1 4.04Å; F11-F22 HydrophobicContact CB-CE2 3.74Å; F11-F22 HydrophobicContact CB-CG 3.89Å; F11-F22 HydrophobicContact CB-CZ 3.89Å; F11-F22 HydrophobicContact CD2-CB 3.86Å; F11-F22 HydrophobicContact CD2-CD1 4.03Å; F11-F22 HydrophobicContact CD2-CD2 4.45Å; F11-F22 AromaticContact CD2-CG 3.86Å; F11-F22 HydrophobicContact CD2-CG 3.86Å; F11-F22 AromaticContact CG-CD1 4Å; F11-F22 HydrophobicContact CG-CD1 4Å; F11-F22 HydrophobicContact CG-CD2 4.42Å; F11-F22 HydrophobicContact CG-CE1 4.28Å; F11-F22 HydrophobicContact CG-CG 4.07Å; N18-F22 PolarHBondContact O-N 3Å; Y19-F22 HydrophobicContact CD2-CD1 4.26Å; Y19-F22 HydrophobicContact CE2-CD1 4.35Å; Y19-F22 PolarHBondContact O-N 2.95Å; F22-G25 PolarHBondContact O-N 2.92Å; F22-I26 HydrophobicContact CD2-CD1 4.44Å; F22-I26 HydrophobicContact CE1-CD1 4.08Å; F22-I26 HydrophobicContact CE2-CD1 3.83Å; F22-I26 HydrophobicContact CE2-CG1 4.46Å; F22-I26 HydrophobicContact CZ-CD1 3.63Å; F22-I26 PolarHBondContact O-N 2.79Å; F22-V58 HydrophobicContact CE2-CG1 4.12Å; F22-V58 HydrophobicContact CZ-CG1 3.65Å; F22-L60 HydrophobicContact CZ-CD2 4.38Å |
| 23 | I | 98.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 179 | -65 | -62.4 | 0 | 0 | 0 | 111.7 | Y19 G20 D21 G25 I26 R27 A173 | Y19-I23 HydrophobicContact CD1-CG1 4.24Å; Y19-I23 HydrophobicContact CE1-CD1 4.48Å; Y19-I23 HydrophobicContact CE1-CG1 3.7Å; Y19-I23 HydrophobicContact CE2-CD1 4.19Å; Y19-I23 HydrophobicContact CE2-CG1 4.06Å; Y19-I23 WeakPolarHBondContact O-CG1 3.42Å; Y19-I23 PolarHBondContact O-N 2.8Å; Y19-I23 VanDerWaalsContact O-N 3.07Å; G20-I23 PolarHBondContact O-N 3.46Å; D21-I23 PolarHBondContact O-N 2.81Å; I23-G25 VanDerWaalsContact C-N 3.32Å; I23-G25 PolarHBondContact O-N 3.45Å; I23-I26 HydrophobicContact CD1-CD1 4.49Å; I23-I26 PolarHBondContact O-N 2.97Å; I23-R27 WeakPolarHBondContact O-CG 3.33Å; I23-R27 PolarHBondContact O-N 2.97Å; I23-R27 VanDerWaalsContact O-N 3.16Å; I23-A173 HydrophobicContact CD1-CB 3.86Å; I23-A173 HydrophobicContact CG1-CB 4.27Å; I23-A173 WeakPolarHBondContact CG2-O 3.49Å |
| 24 | A | 97.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G20 D21 I26 R27 S28 | G20-A24 WeakPolarHBondContact O-CB 3.26Å; G20-A24 PolarHBondContact O-N 3.03Å; D21-A24 PolarHBondContact O-N 3.22Å; A24-I26 PolarHBondContact O-N 3.02Å; A24-R27 PolarHBondContact O-N 2.8Å; A24-S28 PolarHBondContact O-N 3.48Å |
| 25 | G | 98.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | D21 F22 I23 R29 | D21-G25 PolarHBondContact O-N 3.22Å; F22-G25 PolarHBondContact O-N 2.92Å; I23-G25 VanDerWaalsContact C-N 3.32Å; I23-G25 PolarHBondContact O-N 3.45Å; G25-R29 WeakPolarHBondContact O-CG 3.47Å; G25-R29 PolarHBondContact O-N 3.25Å |
| 26 | I | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -55.3 | 172.5 | -65.7 | 167.5 | 0 | 0 | 0 | 109.9 | V9 F22 I23 A24 S28 R29 V30 F56 V58 T174 | V9-I26 HydrophobicContact CB-CG1 4.4Å; V9-I26 HydrophobicContact CG1-CG1 4.15Å; V9-I26 HydrophobicContact CG2-CD1 4Å; V9-I26 HydrophobicContact CG2-CG1 3.74Å; F22-I26 HydrophobicContact CD2-CD1 4.44Å; F22-I26 HydrophobicContact CE1-CD1 4.08Å; F22-I26 HydrophobicContact CE2-CD1 3.83Å; F22-I26 HydrophobicContact CE2-CG1 4.46Å; F22-I26 HydrophobicContact CZ-CD1 3.63Å; F22-I26 PolarHBondContact O-N 2.79Å; I23-I26 HydrophobicContact CD1-CD1 4.49Å; I23-I26 PolarHBondContact O-N 2.97Å; A24-I26 PolarHBondContact O-N 3.02Å; I26-S28 VanDerWaalsContact C-N 3.26Å; I26-S28 PolarHBondContact O-N 2.86Å; I26-R29 PolarHBondContact O-N 3.02Å; I26-V30 HydrophobicContact CG2-CG1 4.45Å; I26-V30 WeakPolarHBondContact O-CG2 3.43Å; I26-V30 PolarHBondContact O-N 2.89Å; I26-V30 VanDerWaalsContact O-N 3.12Å; I26-F56 HydrophobicContact CG2-CE2 3.91Å; I26-F56 HydrophobicContact CG2-CZ 3.96Å; I26-V58 HydrophobicContact CD1-CG2 4.38Å; I26-T174 HydrophobicContact CB-CG2 4.32Å; I26-T174 HydrophobicContact CG2-CG2 3.63Å |
| 27 | R | 98.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.1 | -44.6 | -177.3 | -68 | 167.8 | 178.5 | 157.1 | -1.7 | 111.8 | I23 A24 R29 A31 A173 T174 F176 S180 G246 I247 | I23-R27 WeakPolarHBondContact O-CG 3.33Å; I23-R27 PolarHBondContact O-N 2.97Å; I23-R27 VanDerWaalsContact O-N 3.16Å; A24-R27 PolarHBondContact O-N 2.8Å; R27-R29 PolarHBondContact O-N 3.37Å; R27-A31 WeakPolarHBondContact O-CB 3.35Å; R27-A31 PolarHBondContact O-N 2.86Å; R27-A173 PolarHBondContact NH2-O 3.46Å; R27-T174 HydrophobicContact CG-CG2 3.84Å; R27-T174 PolarHBondContact NE-O 2.87Å; R27-F176 PolarHBondContact NH2-O 3.4Å; R27-F176 VanDerWaalsContact NH2-O 3.15Å; R27-S180 PolarHBondContact NH2-OG 2.93Å; R27-G246 WeakPolarHBondContact CD-O 3.37Å; R27-I247 HydrophobicContact CG-CB 4.4Å; R27-I247 HydrophobicContact CG-CG2 4.41Å |
| 28 | S | 98.1 | Very high | 97 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 179.2 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | A24 I26 | A24-S28 PolarHBondContact O-N 3.48Å; I26-S28 VanDerWaalsContact C-N 3.26Å; I26-S28 PolarHBondContact O-N 2.86Å |
| 29 | R | 98.2 | Very high | 97.3 | Very high | 140 Ų | 140 | 53.2 Ų | 53.2 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78.7 | -25.8 | -175.6 | -68.9 | 177.8 | -178.8 | 172.3 | 1 | 114.4 | F7 T8 V9 G25 I26 R27 | F7-R29 HydrophobicContact CD1-CB 3.96Å; F7-R29 HydrophobicContact CD2-CB 4.43Å; F7-R29 HydrophobicContact CE1-CB 3.52Å; F7-R29 HydrophobicContact CE2-CB 4.03Å; F7-R29 HydrophobicContact CG-CB 4.4Å; F7-R29 HydrophobicContact CZ-CB 3.56Å; T8-R29 PolarHBondContact O-NH1 2.76Å; V9-R29 VanDerWaalsContact CG1-NH1 3.28Å; G25-R29 WeakPolarHBondContact O-CG 3.47Å; G25-R29 PolarHBondContact O-N 3.25Å; I26-R29 PolarHBondContact O-N 3.02Å; R27-R29 PolarHBondContact O-N 3.37Å |
| 30 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -90.3 | -16.8 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | F7 I26 L43 P44 F56 A74 L77 I247 | F7-V30 HydrophobicContact CE1-CG1 4.03Å; F7-V30 HydrophobicContact CZ-CG1 3.7Å; I26-V30 HydrophobicContact CG2-CG1 4.45Å; I26-V30 WeakPolarHBondContact O-CG2 3.43Å; I26-V30 PolarHBondContact O-N 2.89Å; I26-V30 VanDerWaalsContact O-N 3.12Å; V30-L43 HydrophobicContact CB-CD2 3.75Å; V30-L43 HydrophobicContact CG2-CD2 3.59Å; V30-P44 VanDerWaalsContact O-CD 3.26Å; V30-P44 WeakPolarHBondContact O-CD 3.47Å; V30-F56 HydrophobicContact CG1-CD1 4.04Å; V30-F56 HydrophobicContact CG1-CE1 3.97Å; V30-F56 HydrophobicContact CG1-CZ 4.46Å; V30-A74 HydrophobicContact CG1-CB 4.43Å; V30-L77 HydrophobicContact CG1-CD2 4.3Å; V30-L77 HydrophobicContact CG2-CD2 4.26Å; V30-I247 HydrophobicContact CG2-CD1 3.51Å |
| 31 | A | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -61.1 | 147 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R27 P33 P41 I247 | R27-A31 WeakPolarHBondContact O-CB 3.35Å; R27-A31 PolarHBondContact O-N 2.86Å; A31-P33 VanDerWaalsContact O-CD 3.3Å; A31-P33 WeakPolarHBondContact O-CD 3.35Å; A31-P41 HydrophobicContact CB-CB 3.5Å; A31-P41 VanDerWaalsContact CB-CB 3.5Å; A31-I247 HydrophobicContact CB-CD1 4.39Å |
| 32 | N | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -74.2 | 112.4 | 160.2 | -178.5 | -15.5 | 0 | 0 | 0 | 108.3 | R34 H35 V42 P44 A262 F266 | N32-R34 PolarHBondContact O-N 2.84Å; N32-R34 PolarHBondContact OD1-N 3.42Å; N32-H35 HydrophobicContact CB-CB 4.1Å; N32-H35 PolarHBondContact O-N 3.41Å; N32-H35 VanDerWaalsContact O-N 3.1Å; N32-V42 WeakPolarHBondContact CB-O 3.28Å; N32-V42 PolarHBondContact N-O 3.07Å; N32-P44 HydrophobicContact CB-CB 4.33Å; N32-A262 PolarHBondContact ND2-O 2.71Å; N32-F266 HydrophobicContact CB-CD2 4.01Å | ||
| 33 | P | 96.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.4 | -176.1 | 29.1 | -35.9 | 0 | 0 | 0 | 113.5 | A31 F36 | A31-P33 VanDerWaalsContact O-CD 3.3Å; A31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-F36 WeakPolarHBondContact O-CE2 3.4Å |
| 34 | R | 95.8 | Very high | 97.8 | Very high | 145 Ų | 145 | 48.3 Ų | 48.3 | 55% | 0.547 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 3.7 | 178.6 | -55.7 | -56.6 | -176.6 | 164.3 | 1.1 | 113.5 | N32 L265 | N32-R34 PolarHBondContact O-N 2.84Å; N32-R34 PolarHBondContact OD1-N 3.42Å; R34-L265 HydrophobicContact CB-CB 4.1Å; R34-L265 WeakPolarHBondContact CG-O 3.11Å |
| 35 | H | 97.1 | Very high | 97.8 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | trans | -136.7 | 109.2 | -178.5 | -165.4 | -172.6 | 0 | 0 | 0 | 111.3 | N32 V42 F250 | N32-H35 HydrophobicContact CB-CB 4.1Å; N32-H35 PolarHBondContact O-N 3.41Å; N32-H35 VanDerWaalsContact O-N 3.1Å; H35-V42 HydrophobicContact CB-CB 4.31Å; H35-V42 WeakPolarHBondContact O-CB 3.21Å; H35-V42 PolarHBondContact O-N 3.44Å; H35-V42 VanDerWaalsContact O-N 3.16Å; H35-F250 AromaticContact CE1-CD2 3.99Å; H35-F250 AromaticContact CE1-CE2 3.95Å; H35-F250 AromaticContact ND1-CD2 3.95Å | ||
| 36 | F | 97.8 | Very high | 97.7 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.8 | 175.7 | -69.1 | -98.5 | 0 | 0 | 0 | 109 | P33 R40 P41 | P33-F36 WeakPolarHBondContact O-CE2 3.4Å; F36-R40 VanDerWaalsContact CA-O 3.29Å; F36-R40 WeakPolarHBondContact CA-O 3.39Å; F36-P41 HydrophobicContact CD1-CB 4.31Å; F36-P41 HydrophobicContact CE1-CB 3.96Å |
| 37 | S | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | N39 R40 D220 | S37-N39 VanDerWaalsContact C-N 3.27Å; S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 VanDerWaalsContact O-N 3.17Å; S37-R40 PolarHBondContact N-O 2.91Å; S37-R40 WeakPolarHBondContact O-CA 3.28Å; S37-R40 VanDerWaalsContact O-CB 3.3Å; S37-R40 WeakPolarHBondContact O-CB 3.43Å; S37-R40 PolarHBondContact O-N 2.82Å; S37-D220 WeakPolarHBondContact CA-OD2 3.41Å; S37-D220 WeakPolarHBondContact CB-OD2 3.5Å; S37-D220 PolarHBondContact OG-OD2 3.24Å |
| 38 | R | 96.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45.9 | 179.2 | -50.9 | -61.1 | 169.2 | 151.5 | -1.5 | 113.6 | R40 M216 T219 D220 V238 A242 | R38-R40 PolarHBondContact O-N 3.39Å; R38-M216 HydrophobicContact CB-CE 4.27Å; R38-M216 HydrophobicContact CG-CE 4.43Å; R38-T219 PolarHBondContact NH2-O 2.96Å; R38-T219 PolarHBondContact NH2-OG1 3.32Å; R38-D220 IonicContact CZ-OD1 3.35Å; R38-D220 IonicContact NE-OD1 3.67Å; R38-D220 PolarHBondContact NE-OD1 3.08Å; R38-D220 IonicContact NH2-OD1 2.98Å; R38-D220 PolarHBondContact NH2-OD1 3.38Å; R38-V238 HydrophobicContact CG-CG2 4.1Å; R38-A242 HydrophobicContact CB-CB 3.92Å |
| 39 | N | 97.1 | Very high | 96.4 | Very high | 145 Ų | 145 | 53.7 Ų | 53.7 | 78% | 0.775 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 20.5 | -177.3 | -155.4 | 38.7 | 0 | 0 | 0 | 115 | S37 | S37-N39 VanDerWaalsContact C-N 3.27Å; S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 VanDerWaalsContact O-N 3.17Å |
| 40 | R | 98.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 15% | 0.151 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.6 | 172 | -52.2 | -52.5 | -65.6 | 134.1 | 2.9 | 109.6 | F36 S37 R38 M216 A242 V245 G246 L248 | F36-R40 VanDerWaalsContact CA-O 3.29Å; F36-R40 WeakPolarHBondContact CA-O 3.39Å; S37-R40 PolarHBondContact N-O 2.91Å; S37-R40 WeakPolarHBondContact O-CA 3.28Å; S37-R40 VanDerWaalsContact O-CB 3.3Å; S37-R40 WeakPolarHBondContact O-CB 3.43Å; S37-R40 PolarHBondContact O-N 2.82Å; R38-R40 PolarHBondContact O-N 3.39Å; R40-M216 HydrophobicContact CG-CE 4.28Å; R40-A242 VanDerWaalsContact CD-O 3.25Å; R40-A242 WeakPolarHBondContact CD-O 3.44Å; R40-A242 HydrophobicContact CG-CB 4.03Å; R40-A242 PolarHBondContact NE-O 2.93Å; R40-V245 VanDerWaalsContact CZ-O 3.24Å; R40-V245 PolarHBondContact NE-O 2.77Å; R40-V245 PolarHBondContact NH2-O 3.33Å; R40-G246 PolarHBondContact NH2-O 3.49Å; R40-L248 HydrophobicContact CB-CD1 3.48Å; R40-L248 VanDerWaalsContact CB-CD1 3.48Å; R40-L248 HydrophobicContact CG-CD1 4.47Å |
| 41 | P | 98.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 148.7 | 178.5 | 24.6 | -30.4 | 0 | 0 | 0 | 110.6 | A31 F36 I247 L248 | A31-P41 HydrophobicContact CB-CB 3.5Å; A31-P41 VanDerWaalsContact CB-CB 3.5Å; F36-P41 HydrophobicContact CD1-CB 4.31Å; F36-P41 HydrophobicContact CE1-CB 3.96Å; P41-I247 HydrophobicContact CB-CD1 4.08Å; P41-I247 HydrophobicContact CB-CG1 3.95Å; P41-I247 HydrophobicContact CG-CB 3.97Å; P41-I247 HydrophobicContact CG-CD1 4.16Å; P41-I247 HydrophobicContact CG-CG1 3.82Å; P41-I247 WeakPolarHBondContact O-CA 3.08Å; P41-I247 WeakPolarHBondContact O-CG1 3.29Å; P41-L248 WeakPolarHBondContact O-CD1 2.94Å; P41-L248 PolarHBondContact O-N 3.44Å |
| 42 | V | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 137.6 | 168.8 | -169.3 | 0 | 0 | 0 | 0 | 107.9 | N32 H35 L217 L248 F250 | N32-V42 WeakPolarHBondContact CB-O 3.28Å; N32-V42 PolarHBondContact N-O 3.07Å; H35-V42 HydrophobicContact CB-CB 4.31Å; H35-V42 WeakPolarHBondContact O-CB 3.21Å; H35-V42 PolarHBondContact O-N 3.44Å; H35-V42 VanDerWaalsContact O-N 3.16Å; V42-L217 HydrophobicContact CG1-CD2 4.48Å; V42-L217 HydrophobicContact CG2-CD2 4.14Å; V42-L248 HydrophobicContact CB-CB 4.36Å; V42-L248 HydrophobicContact CG1-CB 4.12Å; V42-L248 HydrophobicContact CG2-CB 4.13Å; V42-L248 HydrophobicContact CG2-CD2 4.45Å; V42-F250 HydrophobicContact CG1-CB 4.34Å; V42-F250 HydrophobicContact CG1-CD2 4.4Å |
| 43 | L | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 152 | 170.1 | -72.3 | 166.8 | 0 | 0 | 0 | 110.3 | V30 D75 L77 W209 I247 L248 L249 F250 | V30-L43 HydrophobicContact CB-CD2 3.75Å; V30-L43 HydrophobicContact CG2-CD2 3.59Å; L43-D75 WeakPolarHBondContact CD1-O 3.31Å; L43-L77 HydrophobicContact CD1-CD1 4.23Å; L43-L77 HydrophobicContact CD1-CG 3.98Å; L43-L77 HydrophobicContact CD2-CD2 4.46Å; L43-W209 HydrophobicContact CD1-CH2 3.46Å; L43-W209 VanDerWaalsContact CD1-CH2 3.46Å; L43-W209 HydrophobicContact CD1-CZ2 3.75Å; L43-I247 HydrophobicContact CD2-CD1 3.6Å; L43-I247 HydrophobicContact CD2-CG1 4.44Å; L43-I247 HydrophobicContact CG-CD1 3.76Å; L43-I247 HydrophobicContact CG-CG1 4.07Å; L43-L248 PolarHBondContact N-O 3.24Å; L43-L249 HydrophobicContact CD1-CD1 4.47Å; L43-F250 WeakPolarHBondContact O-CB 3.47Å |
| 44 | P | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 154.9 | 164.4 | 29.6 | -33.5 | 0 | 0 | 0 | 110 | V30 N32 F266 | V30-P44 VanDerWaalsContact O-CD 3.26Å; V30-P44 WeakPolarHBondContact O-CD 3.47Å; N32-P44 HydrophobicContact CB-CB 4.33Å; P44-F266 HydrophobicContact CB-CB 4.47Å; P44-F266 HydrophobicContact CB-CD1 3.87Å; P44-F266 HydrophobicContact CB-CD2 4.05Å; P44-F266 HydrophobicContact CB-CE1 4.13Å; P44-F266 HydrophobicContact CB-CE2 4.3Å; P44-F266 HydrophobicContact CB-CG 3.86Å; P44-F266 HydrophobicContact CB-CZ 4.36Å; P44-F266 HydrophobicContact CG-CD1 4.41Å; P44-F266 HydrophobicContact CG-CD2 4.47Å; P44-F266 HydrophobicContact CG-CE1 4.17Å; P44-F266 HydrophobicContact CG-CE2 4.23Å; P44-F266 HydrophobicContact CG-CZ 4.1Å |
| 45 | P | 97.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 158.6 | 172.5 | -18.2 | 28.5 | 0 | 0 | 0 | 112.2 | E47 F250 A259 A262 L263 | P45-E47 PolarHBondContact O-N 3.13Å; P45-F250 HydrophobicContact CB-CD1 3.64Å; P45-F250 HydrophobicContact CB-CE1 3.92Å; P45-F250 HydrophobicContact CB-CG 4.1Å; P45-F250 HydrophobicContact CG-CB 4.5Å; P45-F250 HydrophobicContact CG-CD1 3.58Å; P45-F250 HydrophobicContact CG-CD2 3.92Å; P45-F250 HydrophobicContact CG-CE1 3.65Å; P45-F250 HydrophobicContact CG-CE2 3.99Å; P45-F250 HydrophobicContact CG-CG 3.71Å; P45-F250 HydrophobicContact CG-CZ 3.86Å; P45-A259 HydrophobicContact CB-CB 3.95Å; P45-A259 HydrophobicContact CG-CB 4.18Å; P45-A262 HydrophobicContact CG-CB 3.47Å; P45-A262 VanDerWaalsContact CG-CB 3.47Å; P45-L263 HydrophobicContact CB-CD1 4.33Å; P45-L263 HydrophobicContact CB-CD2 4.34Å; P45-L263 HydrophobicContact CB-CG 4.04Å; P45-L263 HydrophobicContact CG-CD2 4.35Å; P45-L263 HydrophobicContact CG-CG 3.92Å |
| 46 | V | 95.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 126.8 | 167.8 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | P48 D75 | V46-P48 WeakPolarHBondContact O-CD 3.24Å; V46-D75 HydrophobicContact CG2-CB 4.1Å |
| 47 | E | 93 | Very high | 94.7 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 126.1 | -179.6 | -71.1 | 174.9 | 173.8 | 0 | 0 | 111.4 | P45 L263 H267 | P45-E47 PolarHBondContact O-N 3.13Å; E47-L263 HydrophobicContact CG-CD1 4.29Å; E47-L263 HydrophobicContact CG-CD2 3.69Å; E47-H267 IonicContact OE1-CE1 3.42Å; E47-H267 PolarHBondContact OE1-CE1 2.98Å; E47-H267 IonicContact OE1-NE2 2.85Å; E47-H267 PolarHBondContact OE1-NE2 3.38Å |
| 48 | P | 89.2 | Confident | 94.7 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 66% | 0.656 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -85.8 | 154.4 | 170.4 | 33.3 | -33.1 | 0 | 0 | 0 | 112.3 | V46 | V46-P48 WeakPolarHBondContact O-CD 3.24Š|
| 49 | P | 87.2 | Confident | 94.7 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | S | Bend | cis | -80.9 | 162.2 | -13.4 | 34.4 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 50 | P | 82.4 | Confident | 94.7 | Very high | 111 Ų | 111 | 37.8 Ų | 37.8 | 72% | 0.721 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -49.1 | 155.3 | 164.6 | -24.9 | 33.9 | 0 | 0 | 0 | 112.4 | ||
| 51 | P | 86.8 | Confident | 94.6 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 58% | 0.584 | 22% | 0.223 | S | C | * | . | S | Bend | cis | -82.2 | 165.2 | 8.5 | 33.1 | -36.9 | 0 | 0 | 0 | 114.2 | R53 | P51-R53 WeakPolarHBondContact O-CG 3.43Å; P51-R53 PolarHBondContact O-N 2.87Å |
| 52 | P | 91.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 13% | 0.13 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -58 | 130.4 | 175.6 | 22.3 | -32.7 | 0 | 0 | 0 | 112.3 | W55 R73 I96 | P52-W55 HydrophobicContact CB-CZ2 4.17Å; P52-W55 HydrophobicContact CG-CH2 4.44Å; P52-W55 HydrophobicContact CG-CZ2 3.72Å; P52-W55 PolarHBondContact O-NE1 3.18Å; P52-R73 HydrophobicContact CB-CG 4.38Å; P52-I96 HydrophobicContact CG-CD1 4.07Å |
| 53 | R | 91.7 | Very high | 93.5 | Very high | 143 Ų | 143 | 42.7 Ų | 42.7 | 54% | 0.54 | 24% | 0.235 | S | C | . | . | trans | -105.8 | -24.9 | -172.6 | -60.1 | -176.1 | 179.9 | -173.8 | -1.9 | 114.2 | M1 P51 W55 | M1-R53 PolarHBondContact N-O 2.79Å; P51-R53 WeakPolarHBondContact O-CG 3.43Å; P51-R53 PolarHBondContact O-N 2.87Å; R53-W55 VanDerWaalsContact C-CD1 3.47Å | ||
| 54 | R | 95.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | trans | -101.7 | 116.9 | -173.1 | -61.6 | -171.9 | 65.4 | -107.9 | -0.6 | 110.9 | L6 A74 | L6-R54 HydrophobicContact CD1-CB 4.02Å; L6-R54 HydrophobicContact CD1-CG 4.43Å; R54-A74 HydrophobicContact CB-CB 4.03Å; R54-A74 PolarHBondContact NH1-O 2.82Å; R54-A74 PolarHBondContact O-N 3.34Å | ||
| 55 | W | 97.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.011 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.8 | -173.3 | -62.2 | 87.8 | 0 | 0 | 0 | 110.1 | A2 P5 L6 P52 R53 T72 R73 E80 I96 L97 | A2-W55 VanDerWaalsContact CA-CG 3.43Å; A2-W55 HydrophobicContact CB-CD2 3.72Å; A2-W55 HydrophobicContact CB-CE3 4.02Å; A2-W55 HydrophobicContact CB-CG 4.18Å; A2-W55 HydrophobicContact CB-CH2 4.11Å; A2-W55 HydrophobicContact CB-CZ2 3.82Å; A2-W55 HydrophobicContact CB-CZ3 4.22Å; P5-W55 CarbonylContact C-O 3.58Å; P5-W55 WeakPolarHBondContact CA-O 3.5Å; L6-W55 WeakPolarHBondContact CB-O 3.37Å; L6-W55 WeakPolarHBondContact CG-O 2.97Å; L6-W55 PolarHBondContact N-O 2.97Å; P52-W55 HydrophobicContact CB-CZ2 4.17Å; P52-W55 HydrophobicContact CG-CH2 4.44Å; P52-W55 HydrophobicContact CG-CZ2 3.72Å; P52-W55 PolarHBondContact O-NE1 3.18Å; R53-W55 VanDerWaalsContact C-CD1 3.47Å; W55-T72 CarbonylContact C-O 3.51Å; W55-T72 WeakPolarHBondContact CA-O 3.25Å; W55-R73 HydrophobicContact CD2-CG 4.31Å; W55-R73 HydrophobicContact CE3-CG 3.89Å; W55-R73 HydrophobicContact CH2-CG 3.74Å; W55-R73 HydrophobicContact CZ2-CG 4.18Å; W55-R73 HydrophobicContact CZ3-CG 3.56Å; W55-E80 HydrophobicContact CH2-CB 3.8Å; W55-E80 HydrophobicContact CH2-CG 3.72Å; W55-E80 HydrophobicContact CZ3-CB 3.68Å; W55-E80 HydrophobicContact CZ3-CG 3.72Å; W55-I96 HydrophobicContact CH2-CG1 4.07Å; W55-I96 HydrophobicContact CZ2-CG1 4.45Å; W55-L97 HydrophobicContact CH2-CD2 4.05Å; W55-L97 HydrophobicContact CZ3-CD2 4.07Å |
| 56 | F | 98.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158.4 | 167.2 | 71.7 | -80.5 | 0 | 0 | 0 | 109.5 | F7 I26 V30 V58 T72 A74 L77 | F7-F56 HydrophobicContact CD1-CB 4.09Å; F7-F56 HydrophobicContact CD2-CB 4.09Å; F7-F56 HydrophobicContact CE1-CB 3.72Å; F7-F56 HydrophobicContact CE1-CG 4.22Å; F7-F56 HydrophobicContact CE2-CB 3.73Å; F7-F56 AromaticContact CE2-CD2 3.63Å; F7-F56 HydrophobicContact CE2-CD2 3.63Å; F7-F56 HydrophobicContact CE2-CE2 4.48Å; F7-F56 AromaticContact CE2-CG 3.88Å; F7-F56 HydrophobicContact CE2-CG 3.88Å; F7-F56 HydrophobicContact CG-CB 4.25Å; F7-F56 HydrophobicContact CZ-CB 3.52Å; F7-F56 HydrophobicContact CZ-CD1 4.29Å; F7-F56 AromaticContact CZ-CD2 3.76Å; F7-F56 HydrophobicContact CZ-CD2 3.76Å; F7-F56 AromaticContact CZ-CG 3.61Å; F7-F56 HydrophobicContact CZ-CG 3.61Å; F7-F56 WeakPolarHBondContact O-CA 3Å; F7-F56 WeakPolarHBondContact O-CB 3.47Å; I26-F56 HydrophobicContact CG2-CE2 3.91Å; I26-F56 HydrophobicContact CG2-CZ 3.96Å; V30-F56 HydrophobicContact CG1-CD1 4.04Å; V30-F56 HydrophobicContact CG1-CE1 3.97Å; V30-F56 HydrophobicContact CG1-CZ 4.46Å; F56-V58 HydrophobicContact CD2-CG2 4.05Å; F56-V58 HydrophobicContact CE2-CG2 3.53Å; F56-T72 HydrophobicContact CD1-CG2 4.26Å; F56-T72 WeakPolarHBondContact CD1-O 3.34Å; F56-T72 HydrophobicContact CE1-CG2 3.34Å; F56-T72 HydrophobicContact CE2-CG2 4.33Å; F56-T72 HydrophobicContact CZ-CG2 3.39Å; F56-T72 PolarHBondContact N-O 3.4Å; F56-T72 PolarHBondContact O-N 3.46Å; F56-A74 HydrophobicContact CD1-CB 3.96Å; F56-L77 HydrophobicContact CE1-CD2 3.77Å; F56-L77 HydrophobicContact CZ-CD2 3.98Å |
| 57 | H | 98.6 | Very high | 91 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.6 | 177.5 | -71 | 175.2 | 0 | 0 | 0 | 111.3 | A2 P5 F7 T8 V9 T69 L70 W89 | A2-H57 PolarHBondContact O-NE2 3.5Å; P5-H57 HydrophobicContact CB-CB 4.26Å; P5-H57 HydrophobicContact CG-CB 4.38Å; F7-H57 PolarHBondContact O-N 2.9Å; T8-H57 WeakPolarHBondContact CA-O 3.33Å; T8-H57 HydrophobicContact CG2-CB 4.06Å; V9-H57 PolarHBondContact N-O 3.33Å; H57-T69 HydrophobicContact CB-CG2 3.84Å; H57-L70 VanDerWaalsContact CA-O 3.28Å; H57-L70 WeakPolarHBondContact CA-O 3.41Å; H57-W89 AromaticContact CE1-CH2 3.9Å; H57-W89 AromaticContact CE1-CZ2 3.86Å; H57-W89 AromaticContact NE2-CH2 3.89Å |
| 58 | V | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.7 | 166.7 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | V9 F22 I26 F56 L60 T69 L70 V170 | V9-V58 HydrophobicContact CG2-CB 4.23Å; V9-V58 HydrophobicContact CG2-CG1 4.29Å; V9-V58 HydrophobicContact CG2-CG2 3.8Å; V9-V58 CarbonylContact O-C 3.41Å; V9-V58 WeakPolarHBondContact O-CA 3.39Å; F22-V58 HydrophobicContact CE2-CG1 4.12Å; F22-V58 HydrophobicContact CZ-CG1 3.65Å; I26-V58 HydrophobicContact CD1-CG2 4.38Å; F56-V58 HydrophobicContact CD2-CG2 4.05Å; F56-V58 HydrophobicContact CE2-CG2 3.53Å; V58-L60 HydrophobicContact CG1-CD2 3.75Å; V58-L60 HydrophobicContact CG1-CG 4.11Å; V58-T69 CarbonylContact O-C 3.53Å; V58-T69 WeakPolarHBondContact O-CA 3.44Å; V58-L70 HydrophobicContact CB-CB 4.15Å; V58-L70 HydrophobicContact CB-CD1 4.32Å; V58-L70 HydrophobicContact CB-CG 4.44Å; V58-L70 HydrophobicContact CG1-CD1 4.48Å; V58-L70 PolarHBondContact N-O 3.36Å; V58-L70 VanDerWaalsContact N-O 3.07Å; V58-L70 PolarHBondContact O-N 2.95Å; V58-V170 HydrophobicContact CG1-CG1 4.14Å; V58-V170 HydrophobicContact CG2-CG1 4.08Å |
| 59 | V | 97.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.1 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | T8 V9 T10 F11 R61 A67 L68 T69 | T8-V59 HydrophobicContact CG2-CG2 3.6Å; V9-V59 PolarHBondContact O-N 3.38Å; T10-V59 CarbonylContact C-O 3.59Å; T10-V59 VanDerWaalsContact CA-O 3.26Å; T10-V59 WeakPolarHBondContact CA-O 3.45Å; T10-V59 HydrophobicContact CG2-CB 4.31Å; T10-V59 HydrophobicContact CG2-CG1 4.29Å; F11-V59 PolarHBondContact N-O 3.28Å; V59-R61 HydrophobicContact CG1-CG 4.15Å; V59-A67 HydrophobicContact CG1-CB 4.38Å; V59-L68 CarbonylContact C-O 3.56Å; V59-L68 WeakPolarHBondContact CA-O 3.44Å; V59-T69 HydrophobicContact CG2-CG2 4.14Å |
| 60 | L | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.9 | 174.5 | -57.6 | 179.1 | 0 | 0 | 0 | 108.9 | F11 F22 V58 A67 L68 L70 V139 L166 V170 | F11-L60 HydrophobicContact CB-CD2 4.05Å; F11-L60 HydrophobicContact CD1-CD2 4.37Å; F22-L60 HydrophobicContact CZ-CD2 4.38Å; V58-L60 HydrophobicContact CG1-CD2 3.75Å; V58-L60 HydrophobicContact CG1-CG 4.11Å; L60-A67 CarbonylContact O-C 3.58Å; L60-A67 WeakPolarHBondContact O-CA 3.38Å; L60-L68 PolarHBondContact N-O 2.82Å; L60-L68 PolarHBondContact O-N 3.17Å; L60-L70 HydrophobicContact CD1-CD1 4.06Å; L60-V139 HydrophobicContact CB-CG2 3.53Å; L60-V139 HydrophobicContact CD1-CG2 3.86Å; L60-V139 HydrophobicContact CG-CG2 4.37Å; L60-L166 HydrophobicContact CD1-CD1 4.08Å; L60-L166 HydrophobicContact CD1-CD2 3.62Å; L60-L166 HydrophobicContact CD1-CG 4.39Å; L60-V170 HydrophobicContact CD1-CG2 4.18Å; L60-V170 HydrophobicContact CD2-CG2 4.3Å |
| 61 | R | 94.8 | Very high | 92.9 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113.9 | -179.1 | -68 | 176.1 | 177 | -164.8 | 1.4 | 109.7 | T10 F11 D12 V13 V59 A66 A67 | T10-R61 HydrophobicContact CG2-CG 4.31Å; F11-R61 PolarHBondContact O-N 3.33Å; D12-R61 CarbonylContact C-O 3.55Å; D12-R61 WeakPolarHBondContact OD1-CB 3.3Å; D12-R61 WeakPolarHBondContact OD1-CD 3.44Å; V13-R61 WeakPolarHBondContact CB-O 3.49Å; V13-R61 WeakPolarHBondContact CG2-O 3.3Å; V13-R61 PolarHBondContact N-O 2.86Å; V59-R61 HydrophobicContact CG1-CG 4.15Å; R61-A66 WeakPolarHBondContact CA-O 3.36Å; R61-A67 HydrophobicContact CG-CB 3.98Å |
| 62 | A | 90.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -31.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S14 A66 A136 V139 | S14-A62 WeakPolarHBondContact CB-O 3.41Å; S14-A62 PolarHBondContact OG-O 3.17Å; A62-A66 HydrophobicContact CB-CB 4.44Å; A62-A66 PolarHBondContact N-O 3.02Å; A62-A136 HydrophobicContact CB-CB 4.12Å; A62-V139 HydrophobicContact CB-CB 4.07Å; A62-V139 HydrophobicContact CB-CG1 3.73Å |
| 63 | S | 84.2 | Confident | 93.8 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 25% | 0.245 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 171.1 | 175.8 | 76.5 | 0 | 0 | 0 | 0 | 109.4 | T65 A66 | S63-T65 PolarHBondContact O-N 2.8Å; S63-T65 PolarHBondContact OG-N 3.42Å; S63-T65 PolarHBondContact OG-OG1 2.95Å; S63-A66 PolarHBondContact O-N 3.2Å; S63-A66 WeakPolarHBondContact OG-CB 3.28Å; S63-A66 PolarHBondContact OG-N 3.06Å; S63-A66 VanDerWaalsContact OG-N 3.09Å |
| 64 | P | 79 | Confident | 94.1 | Very high | 141 Ų | 141 | 29.6 Ų | 29.6 | 92% | 0.916 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22 | 173.9 | -27.1 | 36.1 | 0 | 0 | 0 | 114.5 | ||
| 65 | T | 79.5 | Confident | 94.2 | Very high | 134 Ų | 134 | 28.5 Ų | 28.5 | 82% | 0.822 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -7.7 | -177.5 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | S63 | S63-T65 PolarHBondContact O-N 2.8Å; S63-T65 PolarHBondContact OG-N 3.42Å; S63-T65 PolarHBondContact OG-OG1 2.95Å |
| 66 | A | 84.8 | Confident | 94.2 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 100.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R61 A62 S63 N140 | R61-A66 WeakPolarHBondContact CA-O 3.36Å; A62-A66 HydrophobicContact CB-CB 4.44Å; A62-A66 PolarHBondContact N-O 3.02Å; S63-A66 PolarHBondContact O-N 3.2Å; S63-A66 WeakPolarHBondContact OG-CB 3.28Å; S63-A66 PolarHBondContact OG-N 3.06Å; S63-A66 VanDerWaalsContact OG-N 3.09Å; A66-N140 VanDerWaalsContact CB-OD1 3.3Å; A66-N140 WeakPolarHBondContact CB-OD1 3.41Å |
| 67 | A | 93.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 29 Ų | 29 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V59 L60 R61 | V59-A67 HydrophobicContact CG1-CB 4.38Å; L60-A67 CarbonylContact O-C 3.58Å; L60-A67 WeakPolarHBondContact O-CA 3.38Å; R61-A67 HydrophobicContact CG-CB 3.98Å |
| 68 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.9 | 175 | -179.7 | 73.3 | 0 | 0 | 0 | 108.3 | V59 L60 L70 F82 V139 L142 L166 | V59-L68 CarbonylContact C-O 3.56Å; V59-L68 WeakPolarHBondContact CA-O 3.44Å; L60-L68 PolarHBondContact N-O 2.82Å; L60-L68 PolarHBondContact O-N 3.17Å; L68-L70 HydrophobicContact CD2-CD2 3.61Å; L68-L70 HydrophobicContact CG-CD2 3.9Å; L68-F82 HydrophobicContact CD1-CB 3.99Å; L68-F82 HydrophobicContact CD1-CD2 3.84Å; L68-F82 HydrophobicContact CD1-CG 4.27Å; L68-F82 HydrophobicContact CG-CB 4.46Å; L68-V139 HydrophobicContact CB-CG1 3.93Å; L68-V139 HydrophobicContact CD2-CG2 4.5Å; L68-L142 HydrophobicContact CD1-CB 3.66Å; L68-L142 HydrophobicContact CD2-CB 3.85Å; L68-L142 HydrophobicContact CD2-CD1 3.88Å; L68-L142 HydrophobicContact CD2-CG 4.46Å; L68-L142 HydrophobicContact CG-CB 4.43Å; L68-L166 HydrophobicContact CD2-CD1 3.53Å |
| 69 | T | 98 | Very high | 94.2 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 17% | 0.172 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.2 | 171.6 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | H57 V58 V59 F82 R83 W89 | H57-T69 HydrophobicContact CB-CG2 3.84Å; V58-T69 CarbonylContact O-C 3.53Å; V58-T69 WeakPolarHBondContact O-CA 3.44Å; V59-T69 HydrophobicContact CG2-CG2 4.14Å; T69-F82 CarbonylContact O-C 3.57Å; T69-F82 WeakPolarHBondContact O-CA 3.49Å; T69-F82 WeakPolarHBondContact O-CB 3.34Å; T69-R83 PolarHBondContact O-N 3.46Å; T69-W89 HydrophobicContact CG2-CH2 3.86Å; T69-W89 HydrophobicContact CG2-CZ2 4.43Å |
| 70 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.7 | 175.6 | -52.9 | -177 | 0 | 0 | 0 | 109.6 | H57 V58 L60 L68 L79 F82 L166 | H57-L70 VanDerWaalsContact CA-O 3.28Å; H57-L70 WeakPolarHBondContact CA-O 3.41Å; V58-L70 HydrophobicContact CB-CB 4.15Å; V58-L70 HydrophobicContact CB-CD1 4.32Å; V58-L70 HydrophobicContact CB-CG 4.44Å; V58-L70 HydrophobicContact CG1-CD1 4.48Å; V58-L70 PolarHBondContact N-O 3.36Å; V58-L70 VanDerWaalsContact N-O 3.07Å; V58-L70 PolarHBondContact O-N 2.95Å; L60-L70 HydrophobicContact CD1-CD1 4.06Å; L68-L70 HydrophobicContact CD2-CD2 3.61Å; L68-L70 HydrophobicContact CG-CD2 3.9Å; L70-L79 HydrophobicContact CB-CD1 3.7Å; L70-L79 HydrophobicContact CD1-CD1 4.42Å; L70-L79 HydrophobicContact CD2-CD1 4.18Å; L70-L79 HydrophobicContact CG-CD1 4.32Å; L70-F82 HydrophobicContact CD2-CB 3.8Å; L70-L166 HydrophobicContact CD2-CD1 4.38Å |
| 71 | A | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E80 G81 W89 L97 | A71-E80 PolarHBondContact O-N 3.42Å; A71-G81 PolarHBondContact N-O 3.29Å; A71-W89 HydrophobicContact CB-CE3 4.39Å; A71-W89 HydrophobicContact CB-CH2 3.98Å; A71-W89 HydrophobicContact CB-CZ3 3.55Å; A71-L97 HydrophobicContact CB-CD2 3.85Å |
| 72 | T | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.7 | -175.4 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | W55 F56 Y78 H171 | W55-T72 CarbonylContact C-O 3.51Å; W55-T72 WeakPolarHBondContact CA-O 3.25Å; F56-T72 HydrophobicContact CD1-CG2 4.26Å; F56-T72 WeakPolarHBondContact CD1-O 3.34Å; F56-T72 HydrophobicContact CE1-CG2 3.34Å; F56-T72 HydrophobicContact CE2-CG2 4.33Å; F56-T72 HydrophobicContact CZ-CG2 3.39Å; F56-T72 PolarHBondContact N-O 3.4Å; F56-T72 PolarHBondContact O-N 3.46Å; T72-Y78 WeakPolarHBondContact CA-O 3.35Å; T72-Y78 WeakPolarHBondContact CG2-O 3.46Å; T72-H171 VanDerWaalsContact CG2-CD2 3.44Å; T72-H171 WeakPolarHBondContact CG2-CD2 3.44Å; T72-H171 WeakPolarHBondContact CG2-NE2 3.35Å; T72-H171 PolarHBondContact OG1-NE2 2.82Å |
| 73 | R | 97.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 13% | 0.125 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.7 | 173.1 | -78.7 | -176.5 | 61 | 169.7 | 3 | 111.2 | P52 W55 D75 N76 L77 Y78 E80 | P52-R73 HydrophobicContact CB-CG 4.38Å; W55-R73 HydrophobicContact CD2-CG 4.31Å; W55-R73 HydrophobicContact CE3-CG 3.89Å; W55-R73 HydrophobicContact CH2-CG 3.74Å; W55-R73 HydrophobicContact CZ2-CG 4.18Å; W55-R73 HydrophobicContact CZ3-CG 3.56Å; R73-D75 VanDerWaalsContact C-N 3.34Å; R73-D75 WeakPolarHBondContact CB-OD1 3.31Å; R73-D75 IonicContact CZ-OD1 2.7Å; R73-D75 IonicContact CZ-OD2 3.85Å; R73-D75 IonicContact NE-OD1 2.64Å; R73-D75 PolarHBondContact NE-OD1 3.48Å; R73-D75 IonicContact NE-OD2 3.96Å; R73-D75 VanDerWaalsContact NH2-CG 3.34Å; R73-D75 IonicContact NH2-OD1 3.36Å; R73-D75 PolarHBondContact NH2-OD1 3.45Å; R73-D75 IonicContact NH2-OD2 3.94Å; R73-D75 PolarHBondContact NH2-OD2 2.96Å; R73-N76 WeakPolarHBondContact CB-OD1 3.3Å; R73-N76 VanDerWaalsContact CZ-ND2 3.31Å; R73-N76 PolarHBondContact NE-OD1 3.49Å; R73-N76 PolarHBondContact NH1-ND2 3.26Å; R73-L77 WeakPolarHBondContact O-CA 3.44Å; R73-L77 PolarHBondContact O-N 3.05Å; R73-Y78 PolarHBondContact N-O 3.45Å; R73-E80 HydrophobicContact CG-CG 4.04Å |
| 74 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L6 V30 R54 F56 | L6-A74 HydrophobicContact CD1-CB 4.06Å; V30-A74 HydrophobicContact CG1-CB 4.43Å; R54-A74 HydrophobicContact CB-CB 4.03Å; R54-A74 PolarHBondContact NH1-O 2.82Å; R54-A74 PolarHBondContact O-N 3.34Å; F56-A74 HydrophobicContact CD1-CB 3.96Å |
| 75 | D | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -27.4 | -179.6 | 56.5 | 1.6 | 0 | 0 | 0 | 112.9 | L43 V46 R73 | L43-D75 WeakPolarHBondContact CD1-O 3.31Å; V46-D75 HydrophobicContact CG2-CB 4.1Å; R73-D75 VanDerWaalsContact C-N 3.34Å; R73-D75 WeakPolarHBondContact CB-OD1 3.31Å; R73-D75 IonicContact CZ-OD1 2.7Å; R73-D75 IonicContact CZ-OD2 3.85Å; R73-D75 IonicContact NE-OD1 2.64Å; R73-D75 PolarHBondContact NE-OD1 3.48Å; R73-D75 IonicContact NE-OD2 3.96Å; R73-D75 VanDerWaalsContact NH2-CG 3.34Å; R73-D75 IonicContact NH2-OD1 3.36Å; R73-D75 PolarHBondContact NH2-OD1 3.45Å; R73-D75 IonicContact NH2-OD2 3.94Å; R73-D75 PolarHBondContact NH2-OD2 2.96Å |
| 76 | N | 97.7 | Very high | 96.5 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 3.8 | 178.2 | 68.8 | 2.9 | 0 | 0 | 0 | 114.5 | R73 Y78 R175 W209 L249 | R73-N76 WeakPolarHBondContact CB-OD1 3.3Å; R73-N76 VanDerWaalsContact CZ-ND2 3.31Å; R73-N76 PolarHBondContact NE-OD1 3.49Å; R73-N76 PolarHBondContact NH1-ND2 3.26Å; N76-Y78 HydrophobicContact CB-CD1 4.17Å; N76-Y78 HydrophobicContact CB-CE1 4.42Å; N76-Y78 WeakPolarHBondContact O-CD1 3.43Å; N76-Y78 PolarHBondContact O-N 3.43Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.48Å; N76-Y78 PolarHBondContact OD1-N 2.93Å; N76-R175 PolarHBondContact O-NH2 2.82Å; N76-R175 VanDerWaalsContact O-NH2 3.13Å; N76-W209 WeakPolarHBondContact O-CZ3 3.3Å; N76-L249 HydrophobicContact CB-CD1 4.18Å |
| 77 | L | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | 58.8 | 27.3 | -179.3 | -52.7 | 176.2 | 0 | 0 | 0 | 114 | V30 L43 F56 R73 H171 T174 R175 W209 I247 | V30-L77 HydrophobicContact CG1-CD2 4.3Å; V30-L77 HydrophobicContact CG2-CD2 4.26Å; L43-L77 HydrophobicContact CD1-CD1 4.23Å; L43-L77 HydrophobicContact CD1-CG 3.98Å; L43-L77 HydrophobicContact CD2-CD2 4.46Å; F56-L77 HydrophobicContact CE1-CD2 3.77Å; F56-L77 HydrophobicContact CZ-CD2 3.98Å; R73-L77 WeakPolarHBondContact O-CA 3.44Å; R73-L77 PolarHBondContact O-N 3.05Å; L77-H171 PolarHBondContact O-CD2 3.33Å; L77-T174 HydrophobicContact CD1-CG2 3.64Å; L77-T174 HydrophobicContact CD2-CG2 4.44Å; L77-R175 HydrophobicContact CD1-CG 3.77Å; L77-R175 PolarHBondContact O-NH2 3.2Å; L77-R175 VanDerWaalsContact O-NH2 3.11Å; L77-W209 HydrophobicContact CD1-CH2 4.19Å; L77-W209 HydrophobicContact CD1-CZ2 4.34Å; L77-W209 HydrophobicContact CG-CH2 4.37Å; L77-I247 HydrophobicContact CD1-CG2 3.78Å | ||
| 78 | Y | 98.2 | Very high | 96.8 | Very high | 122 Ų | 122 | 28.4 Ų | 28.4 | 48% | 0.478 | 14% | 0.139 | S | C | . | . | trans | -75.2 | 130 | 174.7 | -78.3 | 18.4 | 0 | 0 | 0 | 109.8 | T72 R73 N76 E80 R175 | T72-Y78 WeakPolarHBondContact CA-O 3.35Å; T72-Y78 WeakPolarHBondContact CG2-O 3.46Å; R73-Y78 PolarHBondContact N-O 3.45Å; N76-Y78 HydrophobicContact CB-CD1 4.17Å; N76-Y78 HydrophobicContact CB-CE1 4.42Å; N76-Y78 WeakPolarHBondContact O-CD1 3.43Å; N76-Y78 PolarHBondContact O-N 3.43Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.48Å; N76-Y78 PolarHBondContact OD1-N 2.93Å; Y78-E80 PolarHBondContact O-N 3.31Å; Y78-R175 VanDerWaalsContact CD1-NH2 3.3Å | ||
| 79 | L | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.2 | 164.8 | 179.8 | 62.5 | 0 | 0 | 0 | 107.7 | L70 G81 L92 V163 L167 | L70-L79 HydrophobicContact CB-CD1 3.7Å; L70-L79 HydrophobicContact CD1-CD1 4.42Å; L70-L79 HydrophobicContact CD2-CD1 4.18Å; L70-L79 HydrophobicContact CG-CD1 4.32Å; L79-G81 VanDerWaalsContact CD1-O 3.31Å; L79-G81 WeakPolarHBondContact CD1-O 3.42Å; L79-L92 HydrophobicContact CB-CD1 4.3Å; L79-L92 HydrophobicContact CD2-CD1 3.98Å; L79-L92 HydrophobicContact CG-CD1 3.73Å; L79-L92 VanDerWaalsContact O-CD1 3.32Å; L79-L92 WeakPolarHBondContact O-CD1 3.36Å; L79-V163 HydrophobicContact CD2-CG1 4.05Å; L79-L167 HydrophobicContact CB-CD2 3.67Å; L79-L167 HydrophobicContact CD2-CD2 4.15Å; L79-L167 HydrophobicContact CD2-CG 4.25Å |
| 80 | E | 98 | Very high | 96.8 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -7.2 | -179.5 | -63 | -73.1 | -179.4 | 0 | 0 | 112.1 | W55 A71 R73 Y78 E91 L92 T93 I96 L97 | W55-E80 HydrophobicContact CH2-CB 3.8Å; W55-E80 HydrophobicContact CH2-CG 3.72Å; W55-E80 HydrophobicContact CZ3-CB 3.68Å; W55-E80 HydrophobicContact CZ3-CG 3.72Å; A71-E80 PolarHBondContact O-N 3.42Å; R73-E80 HydrophobicContact CG-CG 4.04Å; Y78-E80 PolarHBondContact O-N 3.31Å; E80-E91 CarbonylContact O-C 3.51Å; E80-E91 VanDerWaalsContact O-CA 3.3Å; E80-E91 WeakPolarHBondContact O-CA 3.15Å; E80-L92 PolarHBondContact O-N 2.91Å; E80-T93 WeakPolarHBondContact OE2-CB 3.37Å; E80-T93 PolarHBondContact OE2-OG1 3.43Å; E80-I96 HydrophobicContact CB-CG1 4.49Å; E80-I96 HydrophobicContact CB-CG2 3.81Å; E80-I96 HydrophobicContact CG-CG1 4.32Å; E80-I96 HydrophobicContact CG-CG2 4.48Å; E80-L97 HydrophobicContact CB-CD2 4.11Å |
| 81 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -179.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A71 L79 W90 | A71-G81 PolarHBondContact N-O 3.29Å; L79-G81 VanDerWaalsContact CD1-O 3.31Å; L79-G81 WeakPolarHBondContact CD1-O 3.42Å; G81-W90 CarbonylContact C-O 3.57Å; G81-W90 WeakPolarHBondContact CA-O 3.34Å |
| 82 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.9 | -177.7 | 60.5 | -89.5 | 0 | 0 | 0 | 111.7 | L68 T69 L70 W89 W90 V109 L142 V163 | L68-F82 HydrophobicContact CD1-CB 3.99Å; L68-F82 HydrophobicContact CD1-CD2 3.84Å; L68-F82 HydrophobicContact CD1-CG 4.27Å; L68-F82 HydrophobicContact CG-CB 4.46Å; T69-F82 CarbonylContact O-C 3.57Å; T69-F82 WeakPolarHBondContact O-CA 3.49Å; T69-F82 WeakPolarHBondContact O-CB 3.34Å; L70-F82 HydrophobicContact CD2-CB 3.8Å; F82-W89 VanDerWaalsContact C-CE3 3.46Å; F82-W90 HydrophobicContact CD1-CB 4.1Å; F82-W90 HydrophobicContact CD2-CB 4.03Å; F82-W90 AromaticContact CD2-CD1 3.79Å; F82-W90 HydrophobicContact CD2-CG 4.17Å; F82-W90 HydrophobicContact CE1-CB 3.69Å; F82-W90 HydrophobicContact CE1-CG 4.39Å; F82-W90 HydrophobicContact CE2-CB 3.62Å; F82-W90 AromaticContact CE2-CD1 3.3Å; F82-W90 HydrophobicContact CE2-CD2 4.47Å; F82-W90 AromaticContact CE2-CG 3.51Å; F82-W90 HydrophobicContact CE2-CG 3.51Å; F82-W90 HydrophobicContact CG-CB 4.26Å; F82-W90 HydrophobicContact CZ-CB 3.43Å; F82-W90 VanDerWaalsContact CZ-CB 3.43Å; F82-W90 AromaticContact CZ-CD1 3.93Å; F82-W90 HydrophobicContact CZ-CD2 4.44Å; F82-W90 AromaticContact CZ-CG 3.64Å; F82-W90 HydrophobicContact CZ-CG 3.64Å; F82-W90 PolarHBondContact N-O 2.85Å; F82-W90 PolarHBondContact O-N 2.98Å; F82-V109 HydrophobicContact CE1-CG2 4.07Å; F82-V109 HydrophobicContact CZ-CG2 3.91Å; F82-L142 HydrophobicContact CD2-CB 4.02Å; F82-L142 HydrophobicContact CE1-CD2 4.21Å; F82-L142 HydrophobicContact CE2-CB 3.94Å; F82-L142 HydrophobicContact CE2-CD2 4.1Å; F82-L142 HydrophobicContact CE2-CG 4.49Å; F82-L142 HydrophobicContact CZ-CD2 3.81Å; F82-V163 HydrophobicContact CE1-CG2 4.37Å |
| 83 | R | 96.6 | Very high | 96.6 | Very high | 115 Ų | 115 | 32 Ų | 32 | 43% | 0.434 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.4 | 178.5 | -164.3 | -178.5 | -179.7 | -162.4 | -8.6 | 110.6 | T69 G87 R88 W89 | T69-R83 PolarHBondContact O-N 3.46Å; R83-G87 WeakPolarHBondContact CG-O 3.28Å; R83-G87 PolarHBondContact NE-O 2.88Å; R83-R88 CarbonylContact C-O 3.59Å; R83-R88 VanDerWaalsContact CA-O 3.28Å; R83-R88 WeakPolarHBondContact CA-O 3.46Å; R83-W89 HydrophobicContact CB-CD2 3.85Å; R83-W89 HydrophobicContact CB-CE3 3.93Å; R83-W89 HydrophobicContact CB-CH2 3.99Å; R83-W89 HydrophobicContact CB-CZ2 3.9Å; R83-W89 HydrophobicContact CB-CZ3 3.99Å; R83-W89 HydrophobicContact CG-CD2 4.16Å; R83-W89 HydrophobicContact CG-CG 4.41Å; R83-W89 HydrophobicContact CG-CZ2 4.36Å |
| 84 | S | 95.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -75 | 169.2 | 174.8 | 45.5 | 0 | 0 | 0 | 0 | 112 | D86 G87 R88 W90 A143 | S84-D86 WeakPolarHBondContact CB-OD1 3.37Å; S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 PolarHBondContact OG-OD1 3Å; S84-G87 WeakPolarHBondContact O-CA 3.4Å; S84-G87 PolarHBondContact O-N 2.83Å; S84-R88 PolarHBondContact N-O 3.46Å; S84-R88 PolarHBondContact OG-O 3.35Å; S84-W90 PolarHBondContact OG-NE1 3.01Å; S84-A143 WeakPolarHBondContact CB-O 3.4Å | ||
| 85 | S | 93.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 37.4 Ų | 37.4 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.1 | -178 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | G87 A143 R146 | S85-G87 PolarHBondContact O-N 2.92Å; S85-A143 VanDerWaalsContact CB-O 3.23Å; S85-A143 WeakPolarHBondContact CB-O 3.36Å; S85-A143 PolarHBondContact N-O 3.26Å; S85-A143 PolarHBondContact OG-O 3.4Å; S85-R146 PolarHBondContact OG-NH1 2.88Å; S85-R146 VanDerWaalsContact OG-NH1 3.1Å; S85-R146 PolarHBondContact OG-NH2 2.92Å |
| 86 | D | 91.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4.9 | 172.8 | 62.4 | -9.8 | 0 | 0 | 0 | 112.8 | S84 R88 R146 | S84-D86 WeakPolarHBondContact CB-OD1 3.37Å; S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 PolarHBondContact OG-OD1 3Å; D86-R88 VanDerWaalsContact C-N 3.26Å; D86-R88 PolarHBondContact O-N 2.87Å; D86-R88 WeakPolarHBondContact OD1-CB 3.16Å; D86-R88 PolarHBondContact OD1-N 3.05Å; D86-R146 VanDerWaalsContact CB-NH1 3.32Å; D86-R146 VanDerWaalsContact CG-NH1 3.28Å; D86-R146 IonicContact OD1-NH1 3.6Å; D86-R146 IonicContact OD2-NH1 3.59Å |
| 87 | G | 91.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 81.4 | -2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R83 S84 S85 | R83-G87 WeakPolarHBondContact CG-O 3.28Å; R83-G87 PolarHBondContact NE-O 2.88Å; S84-G87 WeakPolarHBondContact O-CA 3.4Å; S84-G87 PolarHBondContact O-N 2.83Å; S85-G87 PolarHBondContact O-N 2.92Å |
| 88 | R | 93.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | trans | -70.4 | 133.7 | 179.1 | 179.9 | 170.3 | -64.8 | -87.9 | -5.9 | 111.2 | R83 S84 D86 T107 | R83-R88 CarbonylContact C-O 3.59Å; R83-R88 VanDerWaalsContact CA-O 3.28Å; R83-R88 WeakPolarHBondContact CA-O 3.46Å; S84-R88 PolarHBondContact N-O 3.46Å; S84-R88 PolarHBondContact OG-O 3.35Å; D86-R88 VanDerWaalsContact C-N 3.26Å; D86-R88 PolarHBondContact O-N 2.87Å; D86-R88 WeakPolarHBondContact OD1-CB 3.16Å; D86-R88 PolarHBondContact OD1-N 3.05Å; R88-T107 PolarHBondContact NH1-OG1 3.2Å | ||
| 89 | W | 96.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128 | 167.2 | -78.7 | 100.3 | 0 | 0 | 0 | 110.3 | L3 H57 T69 A71 F82 R83 L97 A106 T107 | L3-W89 HydrophobicContact CD2-CD2 3.78Å; L3-W89 HydrophobicContact CD2-CE3 4.48Å; L3-W89 HydrophobicContact CD2-CG 4.04Å; L3-W89 HydrophobicContact CD2-CH2 4.45Å; L3-W89 HydrophobicContact CD2-CZ2 3.75Å; H57-W89 AromaticContact CE1-CH2 3.9Å; H57-W89 AromaticContact CE1-CZ2 3.86Å; H57-W89 AromaticContact NE2-CH2 3.89Å; T69-W89 HydrophobicContact CG2-CH2 3.86Å; T69-W89 HydrophobicContact CG2-CZ2 4.43Å; A71-W89 HydrophobicContact CB-CE3 4.39Å; A71-W89 HydrophobicContact CB-CH2 3.98Å; A71-W89 HydrophobicContact CB-CZ3 3.55Å; F82-W89 VanDerWaalsContact C-CE3 3.46Å; R83-W89 HydrophobicContact CB-CD2 3.85Å; R83-W89 HydrophobicContact CB-CE3 3.93Å; R83-W89 HydrophobicContact CB-CH2 3.99Å; R83-W89 HydrophobicContact CB-CZ2 3.9Å; R83-W89 HydrophobicContact CB-CZ3 3.99Å; R83-W89 HydrophobicContact CG-CD2 4.16Å; R83-W89 HydrophobicContact CG-CG 4.41Å; R83-W89 HydrophobicContact CG-CZ2 4.36Å; W89-L97 HydrophobicContact CB-CD1 4.22Å; W89-L97 HydrophobicContact CD2-CD1 4.35Å; W89-L97 HydrophobicContact CE3-CD1 3.81Å; W89-A106 HydrophobicContact CB-CB 3.92Å; W89-A106 CarbonylContact O-C 3.51Å; W89-A106 WeakPolarHBondContact O-CA 3.5Å; W89-T107 PolarHBondContact O-N 3.38Å |
| 90 | W | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.6 | 169.9 | -61.8 | 90.8 | 0 | 0 | 0 | 108.6 | G81 F82 S84 T107 V109 R145 R146 L150 | G81-W90 CarbonylContact C-O 3.57Å; G81-W90 WeakPolarHBondContact CA-O 3.34Å; F82-W90 HydrophobicContact CD1-CB 4.1Å; F82-W90 HydrophobicContact CD2-CB 4.03Å; F82-W90 AromaticContact CD2-CD1 3.79Å; F82-W90 HydrophobicContact CD2-CG 4.17Å; F82-W90 HydrophobicContact CE1-CB 3.69Å; F82-W90 HydrophobicContact CE1-CG 4.39Å; F82-W90 HydrophobicContact CE2-CB 3.62Å; F82-W90 AromaticContact CE2-CD1 3.3Å; F82-W90 HydrophobicContact CE2-CD2 4.47Å; F82-W90 AromaticContact CE2-CG 3.51Å; F82-W90 HydrophobicContact CE2-CG 3.51Å; F82-W90 HydrophobicContact CG-CB 4.26Å; F82-W90 HydrophobicContact CZ-CB 3.43Å; F82-W90 VanDerWaalsContact CZ-CB 3.43Å; F82-W90 AromaticContact CZ-CD1 3.93Å; F82-W90 HydrophobicContact CZ-CD2 4.44Å; F82-W90 AromaticContact CZ-CG 3.64Å; F82-W90 HydrophobicContact CZ-CG 3.64Å; F82-W90 PolarHBondContact N-O 2.85Å; F82-W90 PolarHBondContact O-N 2.98Å; S84-W90 PolarHBondContact OG-NE1 3.01Å; W90-T107 CarbonylContact C-O 3.57Å; W90-T107 VanDerWaalsContact CA-O 3.24Å; W90-T107 WeakPolarHBondContact CA-O 3.45Å; W90-T107 HydrophobicContact CE3-CG2 4.02Å; W90-T107 HydrophobicContact CH2-CG2 4.47Å; W90-T107 HydrophobicContact CZ3-CG2 3.73Å; W90-V109 HydrophobicContact CB-CB 4.45Å; W90-V109 HydrophobicContact CB-CG2 4.46Å; W90-V109 HydrophobicContact CE3-CB 4.31Å; W90-V109 HydrophobicContact CE3-CG2 4.15Å; W90-R145 HydrophobicContact CD2-CG 4.5Å; W90-R145 HydrophobicContact CH2-CG 4.18Å; W90-R145 HydrophobicContact CZ2-CB 4.37Å; W90-R145 HydrophobicContact CZ2-CG 3.69Å; W90-R146 WeakPolarHBondContact CH2-O 3.15Å; W90-L150 HydrophobicContact CH2-CD1 4.45Å; W90-L150 HydrophobicContact CH2-CG 4.29Å; W90-L150 HydrophobicContact CZ3-CD1 4.06Å; W90-L150 HydrophobicContact CZ3-CD2 3.95Å; W90-L150 HydrophobicContact CZ3-CG 3.94Å |
| 91 | E | 97.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145.1 | 178.8 | 63.7 | -175.2 | -176.7 | 0 | 0 | 111.9 | E80 T93 P94 G95 I96 L97 A106 T107 Y108 V109 | E80-E91 CarbonylContact O-C 3.51Å; E80-E91 VanDerWaalsContact O-CA 3.3Å; E80-E91 WeakPolarHBondContact O-CA 3.15Å; E91-T93 VanDerWaalsContact CD-O 3.28Å; E91-T93 WeakPolarHBondContact CG-O 3.21Å; E91-P94 WeakPolarHBondContact OE1-CA 3.4Å; E91-G95 PolarHBondContact OE1-N 2.88Å; E91-G95 PolarHBondContact OE2-N 2.84Å; E91-I96 HydrophobicContact CB-CG2 4.25Å; E91-I96 PolarHBondContact OE2-N 3.11Å; E91-L97 HydrophobicContact CB-CD1 3.91Å; E91-L97 HydrophobicContact CB-CG 3.91Å; E91-L97 PolarHBondContact OE2-N 3.01Å; E91-A106 HydrophobicContact CB-CB 4.13Å; E91-A106 HydrophobicContact CG-CB 4.09Å; E91-T107 PolarHBondContact N-O 3.28Å; E91-Y108 WeakPolarHBondContact O-CD2 3.4Å; E91-V109 WeakPolarHBondContact O-CG1 3.39Å; E91-V109 PolarHBondContact O-N 3.42Å |
| 92 | L | 98.4 | Very high | 91 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -92.4 | -14.4 | 177.3 | -68.8 | 163.2 | 0 | 0 | 0 | 112.1 | L79 E80 V109 F111 G112 V163 | L79-L92 HydrophobicContact CB-CD1 4.3Å; L79-L92 HydrophobicContact CD2-CD1 3.98Å; L79-L92 HydrophobicContact CG-CD1 3.73Å; L79-L92 VanDerWaalsContact O-CD1 3.32Å; L79-L92 WeakPolarHBondContact O-CD1 3.36Å; E80-L92 PolarHBondContact O-N 2.91Å; L92-V109 HydrophobicContact CD2-CG1 3.7Å; L92-V109 HydrophobicContact CG-CG1 4.49Å; L92-F111 HydrophobicContact CD2-CD2 3.85Å; L92-F111 HydrophobicContact CD2-CE2 3.63Å; L92-G112 WeakPolarHBondContact O-CA 3.41Å; L92-V163 HydrophobicContact CD1-CG1 4.29Å; L92-V163 HydrophobicContact CD2-CG1 4.39Å |
| 93 | T | 97 | Very high | 90 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -128.2 | 121.6 | 173.2 | -57.5 | 0 | 0 | 0 | 0 | 107.9 | E80 E91 G95 I96 | E80-T93 WeakPolarHBondContact OE2-CB 3.37Å; E80-T93 PolarHBondContact OE2-OG1 3.43Å; E91-T93 VanDerWaalsContact CD-O 3.28Å; E91-T93 WeakPolarHBondContact CG-O 3.21Å; T93-G95 PolarHBondContact O-N 2.84Å; T93-I96 HydrophobicContact CG2-CB 4.07Å; T93-I96 HydrophobicContact CG2-CD1 4.41Å; T93-I96 HydrophobicContact CG2-CG1 4.48Å; T93-I96 WeakPolarHBondContact O-CB 3.37Å; T93-I96 WeakPolarHBondContact O-CG2 3.4Å; T93-I96 PolarHBondContact O-N 3.11Å |
| 94 | P | 95.4 | Very high | 89.4 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 127.5 | -178.9 | -27.2 | 35 | 0 | 0 | 0 | 113 | E91 I96 Y108 | E91-P94 WeakPolarHBondContact OE1-CA 3.4Å; P94-I96 VanDerWaalsContact C-N 3.29Å; P94-I96 PolarHBondContact O-N 3.02Å; P94-Y108 HydrophobicContact CG-CD1 4.31Å; P94-Y108 HydrophobicContact CG-CD2 3.74Å; P94-Y108 HydrophobicContact CG-CE1 4.47Å; P94-Y108 HydrophobicContact CG-CE2 3.95Å; P94-Y108 HydrophobicContact CG-CG 3.94Å |
| 95 | G | 92.4 | Very high | 89.1 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 58% | 0.577 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E91 T93 G98 | E91-G95 PolarHBondContact OE1-N 2.88Å; E91-G95 PolarHBondContact OE2-N 2.84Å; T93-G95 PolarHBondContact O-N 2.84Å; G95-G98 PolarHBondContact O-N 3.24Å |
| 96 | I | 93.9 | Very high | 89.1 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -72.8 | -33.3 | -170.8 | -160.5 | 69.9 | 0 | 0 | 0 | 113.2 | P52 W55 E80 E91 T93 P94 | P52-I96 HydrophobicContact CG-CD1 4.07Å; W55-I96 HydrophobicContact CH2-CG1 4.07Å; W55-I96 HydrophobicContact CZ2-CG1 4.45Å; E80-I96 HydrophobicContact CB-CG1 4.49Å; E80-I96 HydrophobicContact CB-CG2 3.81Å; E80-I96 HydrophobicContact CG-CG1 4.32Å; E80-I96 HydrophobicContact CG-CG2 4.48Å; E91-I96 HydrophobicContact CB-CG2 4.25Å; E91-I96 PolarHBondContact OE2-N 3.11Å; T93-I96 HydrophobicContact CG2-CB 4.07Å; T93-I96 HydrophobicContact CG2-CD1 4.41Å; T93-I96 HydrophobicContact CG2-CG1 4.48Å; T93-I96 WeakPolarHBondContact O-CB 3.37Å; T93-I96 WeakPolarHBondContact O-CG2 3.4Å; T93-I96 PolarHBondContact O-N 3.11Å; P94-I96 VanDerWaalsContact C-N 3.29Å; P94-I96 PolarHBondContact O-N 3.02Å |
| 97 | L | 93.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -83.6 | -20.3 | -178.5 | -59.8 | -173.6 | 0 | 0 | 0 | 112.2 | A2 W55 A71 E80 W89 E91 A106 | A2-L97 HydrophobicContact CB-CB 4.22Å; A2-L97 HydrophobicContact CB-CD2 3.68Å; W55-L97 HydrophobicContact CH2-CD2 4.05Å; W55-L97 HydrophobicContact CZ3-CD2 4.07Å; A71-L97 HydrophobicContact CB-CD2 3.85Å; E80-L97 HydrophobicContact CB-CD2 4.11Å; W89-L97 HydrophobicContact CB-CD1 4.22Å; W89-L97 HydrophobicContact CD2-CD1 4.35Å; W89-L97 HydrophobicContact CE3-CD1 3.81Å; E91-L97 HydrophobicContact CB-CD1 3.91Å; E91-L97 HydrophobicContact CB-CG 3.91Å; E91-L97 PolarHBondContact OE2-N 3.01Å; L97-A106 HydrophobicContact CB-CB 3.92Å; L97-A106 HydrophobicContact CD1-CB 4.03Å; L97-A106 HydrophobicContact CG-CB 4.41Å |
| 98 | G | 86.7 | Confident | 89.6 | Confident | 36 Ų | 36 | 50 Ų | 50 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | trans | 66.2 | -156.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G95 A106 | G95-G98 PolarHBondContact O-N 3.24Å; G98-A106 PolarHBondContact O-N 3.2Å | ||
| 99 | A | 82.5 | Confident | 89.8 | Confident | 54 Ų | 54 | 45.9 Ų | 45.9 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 148 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A105 | A99-A105 HydrophobicContact CB-CB 4.37Å |
| 100 | A | 72.7 | Confident | 89.9 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | trans | -67.3 | 148.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L3 G102 G103 | L3-A100 HydrophobicContact CD1-CB 3.61Å; A100-G102 PolarHBondContact O-N 3.21Å; A100-G103 PolarHBondContact O-N 3.39Å | ||
| 101 | P | 71.6 | Confident | 89.9 | Confident | 120 Ų | 120 | 46.9 Ų | 46.9 | 78% | 0.779 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 117.8 | 169.6 | -24.2 | 33.8 | 0 | 0 | 0 | 110.4 | G103 | P101-G103 PolarHBondContact O-N 3.39Š|
| 102 | G | 74.4 | Confident | 89.9 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 100% | 1 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 8.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A100 | A100-G102 PolarHBondContact O-N 3.21Š|
| 103 | G | 76.7 | Confident | 89.9 | Confident | 39 Ų | 39 | 48 Ų | 48 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -106.1 | 167.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A100 P101 | A100-G103 PolarHBondContact O-N 3.39Å; P101-G103 PolarHBondContact O-N 3.39Å |
| 104 | A | 83.3 | Confident | 90 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 146.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 105 | A | 89.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 150.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A99 | A99-A105 HydrophobicContact CB-CB 4.37Å |
| 106 | A | 94.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 148.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W89 E91 L97 G98 | W89-A106 HydrophobicContact CB-CB 3.92Å; W89-A106 CarbonylContact O-C 3.51Å; W89-A106 WeakPolarHBondContact O-CA 3.5Å; E91-A106 HydrophobicContact CB-CB 4.13Å; E91-A106 HydrophobicContact CG-CB 4.09Å; L97-A106 HydrophobicContact CB-CB 3.92Å; L97-A106 HydrophobicContact CD1-CB 4.03Å; L97-A106 HydrophobicContact CG-CB 4.41Å; G98-A106 PolarHBondContact O-N 3.2Å |
| 107 | T | 96.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.7 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 109 | R88 W89 W90 E91 V109 L150 | R88-T107 PolarHBondContact NH1-OG1 3.2Å; W89-T107 PolarHBondContact O-N 3.38Å; W90-T107 CarbonylContact C-O 3.57Å; W90-T107 VanDerWaalsContact CA-O 3.24Å; W90-T107 WeakPolarHBondContact CA-O 3.45Å; W90-T107 HydrophobicContact CE3-CG2 4.02Å; W90-T107 HydrophobicContact CH2-CG2 4.47Å; W90-T107 HydrophobicContact CZ3-CG2 3.73Å; E91-T107 PolarHBondContact N-O 3.28Å; T107-V109 PolarHBondContact O-N 3.23Å; T107-L150 HydrophobicContact CG2-CD1 4.16Å |
| 108 | Y | 97.5 | Very high | 90.8 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 129.6 | 173.8 | 178.7 | -124.1 | 0 | 0 | 0 | 110.5 | E91 P94 G110 F111 | E91-Y108 WeakPolarHBondContact O-CD2 3.4Å; P94-Y108 HydrophobicContact CG-CD1 4.31Å; P94-Y108 HydrophobicContact CG-CD2 3.74Å; P94-Y108 HydrophobicContact CG-CE1 4.47Å; P94-Y108 HydrophobicContact CG-CE2 3.95Å; P94-Y108 HydrophobicContact CG-CG 3.94Å; Y108-G110 VanDerWaalsContact CE1-CA 3.43Å; Y108-G110 PolarHBondContact O-N 3.03Å; Y108-F111 WeakPolarHBondContact CE2-O 3.3Å; Y108-F111 VanDerWaalsContact OH-C 3.25Å; Y108-F111 WeakPolarHBondContact OH-CA 3.44Å; Y108-F111 PolarHBondContact OH-N 2.93Å |
| 109 | V | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -75.7 | -11.3 | -172.6 | 76.3 | 0 | 0 | 0 | 0 | 113.2 | F82 W90 E91 L92 T107 F111 R145 L150 Q156 | F82-V109 HydrophobicContact CE1-CG2 4.07Å; F82-V109 HydrophobicContact CZ-CG2 3.91Å; W90-V109 HydrophobicContact CB-CB 4.45Å; W90-V109 HydrophobicContact CB-CG2 4.46Å; W90-V109 HydrophobicContact CE3-CB 4.31Å; W90-V109 HydrophobicContact CE3-CG2 4.15Å; E91-V109 WeakPolarHBondContact O-CG1 3.39Å; E91-V109 PolarHBondContact O-N 3.42Å; L92-V109 HydrophobicContact CD2-CG1 3.7Å; L92-V109 HydrophobicContact CG-CG1 4.49Å; T107-V109 PolarHBondContact O-N 3.23Å; V109-F111 HydrophobicContact CB-CE1 4.41Å; V109-F111 HydrophobicContact CB-CZ 4.4Å; V109-F111 HydrophobicContact CG1-CD1 4.02Å; V109-F111 HydrophobicContact CG1-CD2 3.82Å; V109-F111 HydrophobicContact CG1-CE1 3.92Å; V109-F111 HydrophobicContact CG1-CE2 3.71Å; V109-F111 HydrophobicContact CG1-CG 3.98Å; V109-F111 HydrophobicContact CG1-CZ 3.76Å; V109-F111 VanDerWaalsContact CG1-O 3.28Å; V109-F111 WeakPolarHBondContact CG1-O 3.4Å; V109-F111 HydrophobicContact CG2-CE1 3.77Å; V109-F111 HydrophobicContact CG2-CE2 4.46Å; V109-F111 HydrophobicContact CG2-CZ 3.72Å; V109-R145 PolarHBondContact O-NH2 3.44Å; V109-R145 VanDerWaalsContact O-NH2 3.11Å; V109-L150 WeakPolarHBondContact O-CD2 3.41Å; V109-Q156 PolarHBondContact O-NE2 3.3Å | ||
| 110 | G | 97.8 | Very high | 92 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 93.9 | 4.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y108 | Y108-G110 VanDerWaalsContact CE1-CA 3.43Å; Y108-G110 PolarHBondContact O-N 3.03Å |
| 111 | F | 98.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -152.9 | 158.1 | 174 | 53.3 | -96.8 | 0 | 0 | 0 | 110.9 | L92 Y108 V109 L118 A159 M160 V163 | L92-F111 HydrophobicContact CD2-CD2 3.85Å; L92-F111 HydrophobicContact CD2-CE2 3.63Å; Y108-F111 WeakPolarHBondContact CE2-O 3.3Å; Y108-F111 VanDerWaalsContact OH-C 3.25Å; Y108-F111 WeakPolarHBondContact OH-CA 3.44Å; Y108-F111 PolarHBondContact OH-N 2.93Å; V109-F111 HydrophobicContact CB-CE1 4.41Å; V109-F111 HydrophobicContact CB-CZ 4.4Å; V109-F111 HydrophobicContact CG1-CD1 4.02Å; V109-F111 HydrophobicContact CG1-CD2 3.82Å; V109-F111 HydrophobicContact CG1-CE1 3.92Å; V109-F111 HydrophobicContact CG1-CE2 3.71Å; V109-F111 HydrophobicContact CG1-CG 3.98Å; V109-F111 HydrophobicContact CG1-CZ 3.76Å; V109-F111 VanDerWaalsContact CG1-O 3.28Å; V109-F111 WeakPolarHBondContact CG1-O 3.4Å; V109-F111 HydrophobicContact CG2-CE1 3.77Å; V109-F111 HydrophobicContact CG2-CE2 4.46Å; V109-F111 HydrophobicContact CG2-CZ 3.72Å; F111-L118 HydrophobicContact CD2-CD2 3.62Å; F111-L118 HydrophobicContact CE2-CD2 3.63Å; F111-A159 HydrophobicContact CE1-CB 3.93Å; F111-A159 HydrophobicContact CZ-CB 3.81Å; F111-M160 HydrophobicContact CB-CG 4.37Å; F111-M160 HydrophobicContact CB-SD 4.47Å; F111-M160 HydrophobicContact CD1-CE 4.5Å; F111-M160 HydrophobicContact CD1-CG 3.6Å; F111-M160 HydrophobicContact CD1-SD 4.41Å; F111-M160 HydrophobicContact CD2-CG 3.85Å; F111-M160 HydrophobicContact CE1-CG 3.73Å; F111-M160 HydrophobicContact CE2-CG 3.96Å; F111-M160 HydrophobicContact CG-CG 3.67Å; F111-M160 HydrophobicContact CG-SD 4.37Å; F111-M160 HydrophobicContact CZ-CG 3.91Å; F111-V163 HydrophobicContact CE2-CG2 4.15Å; F111-V163 HydrophobicContact CZ-CG2 4.4Å |
| 112 | G | 98.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | trans | -80.5 | 167.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L92 S114 D117 | L92-G112 WeakPolarHBondContact O-CA 3.41Å; G112-S114 VanDerWaalsContact C-N 3.31Å; G112-S114 PolarHBondContact O-N 3.09Å; G112-D117 WeakPolarHBondContact CA-OD2 2.95Å | ||
| 113 | G | 97.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -82.7 | 1.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 114 | S | 98.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -81.8 | 150.1 | -178.1 | 82.3 | 0 | 0 | 0 | 0 | 111.9 | G112 R116 D117 L118 | G112-S114 VanDerWaalsContact C-N 3.31Å; G112-S114 PolarHBondContact O-N 3.09Å; S114-R116 PolarHBondContact O-N 3.35Å; S114-R116 VanDerWaalsContact O-N 3.16Å; S114-R116 PolarHBondContact OG-N 2.86Å; S114-D117 WeakPolarHBondContact CB-OD2 3.23Å; S114-D117 PolarHBondContact O-N 2.76Å; S114-D117 PolarHBondContact OG-N 2.71Å; S114-D117 VanDerWaalsContact OG-N 3.13Å; S114-D117 PolarHBondContact OG-OD2 2.93Å; S114-L118 VanDerWaalsContact O-CG 3.24Å; S114-L118 WeakPolarHBondContact O-CG 3.47Å; S114-L118 PolarHBondContact O-N 3.17Å |
| 115 | Y | 98.2 | Very high | 97 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -23.2 | 174.7 | -67.4 | -56 | 0 | 0 | 0 | 113.6 | L118 L119 L125 L167 E172 V206 | Y115-L118 HydrophobicContact CD1-CD1 4.34Å; Y115-L119 HydrophobicContact CD1-CD1 4.18Å; Y115-L119 WeakPolarHBondContact O-CA 3.32Å; Y115-L119 VanDerWaalsContact O-CB 3.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.44Å; Y115-L119 PolarHBondContact O-N 2.94Å; Y115-L125 HydrophobicContact CD1-CD2 3.48Å; Y115-L125 VanDerWaalsContact CD1-CD2 3.48Å; Y115-L125 HydrophobicContact CD1-CG 4.47Å; Y115-L125 HydrophobicContact CD2-CD1 3.92Å; Y115-L125 HydrophobicContact CD2-CD2 3.9Å; Y115-L125 HydrophobicContact CD2-CG 4.34Å; Y115-L125 HydrophobicContact CE1-CD2 3.45Å; Y115-L125 VanDerWaalsContact CE1-CD2 3.45Å; Y115-L125 HydrophobicContact CE2-CD1 4.09Å; Y115-L125 HydrophobicContact CE2-CD2 3.87Å; Y115-L125 HydrophobicContact CG-CD1 4.33Å; Y115-L125 HydrophobicContact CG-CD2 3.7Å; Y115-L125 HydrophobicContact CG-CG 4.27Å; Y115-L167 HydrophobicContact CE1-CB 4.1Å; Y115-L167 HydrophobicContact CE1-CD1 4.01Å; Y115-E172 WeakPolarHBondContact OH-CG 3.33Å; Y115-E172 PolarHBondContact OH-OE1 3.13Å; Y115-E172 VanDerWaalsContact OH-OE1 3.08Å; Y115-V206 HydrophobicContact CD2-CG1 4.4Å; Y115-V206 HydrophobicContact CE2-CG1 3.62Å |
| 116 | R | 97.8 | Very high | 97.4 | Very high | 188 Ų | 188 | 47.4 Ų | 47.4 | 71% | 0.709 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 171.1 | -174.4 | 176.4 | 178 | 122.5 | -0.1 | 111.2 | S114 G120 | S114-R116 PolarHBondContact O-N 3.35Å; S114-R116 VanDerWaalsContact O-N 3.16Å; S114-R116 PolarHBondContact OG-N 2.86Å; R116-G120 CarbonylContact O-C 3.38Å; R116-G120 WeakPolarHBondContact O-CA 3.44Å; R116-G120 PolarHBondContact O-N 3.05Å |
| 117 | D | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.8 | -57.2 | -45.9 | 0 | 0 | 0 | 111.4 | G112 S114 | G112-D117 WeakPolarHBondContact CA-OD2 2.95Å; S114-D117 WeakPolarHBondContact CB-OD2 3.23Å; S114-D117 PolarHBondContact O-N 2.76Å; S114-D117 PolarHBondContact OG-N 2.71Å; S114-D117 VanDerWaalsContact OG-N 3.13Å; S114-D117 PolarHBondContact OG-OD2 2.93Å |
| 118 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77.5 | -40.9 | -174.2 | -60 | 170.3 | 0 | 0 | 0 | 112.7 | F111 S114 Y115 R157 M160 V163 A164 L167 | F111-L118 HydrophobicContact CD2-CD2 3.62Å; F111-L118 HydrophobicContact CE2-CD2 3.63Å; S114-L118 VanDerWaalsContact O-CG 3.24Å; S114-L118 WeakPolarHBondContact O-CG 3.47Å; S114-L118 PolarHBondContact O-N 3.17Å; Y115-L118 HydrophobicContact CD1-CD1 4.34Å; L118-R157 VanDerWaalsContact O-CZ 3.31Å; L118-R157 PolarHBondContact O-NH1 3.37Å; L118-R157 PolarHBondContact O-NH2 3.35Å; L118-M160 HydrophobicContact CD2-CB 4.14Å; L118-M160 HydrophobicContact CD2-CG 4.19Å; L118-V163 HydrophobicContact CD1-CB 4.44Å; L118-V163 HydrophobicContact CD1-CG1 3.77Å; L118-V163 HydrophobicContact CD2-CB 3.95Å; L118-V163 HydrophobicContact CD2-CG1 3.82Å; L118-V163 HydrophobicContact CG-CG1 4.47Å; L118-A164 HydrophobicContact CB-CB 4.27Å; L118-A164 HydrophobicContact CD1-CB 4.27Å; L118-L167 HydrophobicContact CD1-CD1 3.5Å; L118-L167 VanDerWaalsContact CD1-CD1 3.5Å |
| 119 | L | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -114.6 | -12.6 | -171.4 | -54.2 | 178 | 0 | 0 | 0 | 113.2 | Y115 D121 R124 L125 V128 A164 | Y115-L119 HydrophobicContact CD1-CD1 4.18Å; Y115-L119 WeakPolarHBondContact O-CA 3.32Å; Y115-L119 VanDerWaalsContact O-CB 3.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.44Å; Y115-L119 PolarHBondContact O-N 2.94Å; L119-D121 PolarHBondContact O-N 3.26Å; L119-R124 HydrophobicContact CB-CB 4.08Å; L119-R124 HydrophobicContact CD1-CB 4.32Å; L119-R124 VanDerWaalsContact O-CD 3.29Å; L119-R124 WeakPolarHBondContact O-CD 3.26Å; L119-R124 PolarHBondContact O-NH1 2.92Å; L119-L125 HydrophobicContact CD1-CD2 3.89Å; L119-L125 HydrophobicContact CD1-CG 4.29Å; L119-V128 HydrophobicContact CD1-CG2 3.84Å; L119-V128 HydrophobicContact CD2-CG2 4.14Å; L119-A164 HydrophobicContact CD2-CB 3.83Å; L119-A164 HydrophobicContact CG-CB 4.32Å |
| 120 | G | 97.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 85.7 | -33.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R116 | R116-G120 CarbonylContact O-C 3.38Å; R116-G120 WeakPolarHBondContact O-CA 3.44Å; R116-G120 PolarHBondContact O-N 3.05Å |
| 121 | D | 96.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -148.7 | 139.6 | 178 | -163.7 | -33.7 | 0 | 0 | 0 | 110.4 | L119 D123 R124 | L119-D121 PolarHBondContact O-N 3.26Å; D121-D123 PolarHBondContact O-N 2.94Å; D121-D123 PolarHBondContact OD1-N 3.28Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 WeakPolarHBondContact O-CB 3.3Å; D121-R124 PolarHBondContact O-N 3.44Å |
| 122 | T | 96 | Very high | 97.4 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64.1 | -21.3 | 173.2 | 68.1 | 0 | 0 | 0 | 0 | 113 | R124 L125 N207 | T122-R124 PolarHBondContact O-N 3Å; T122-L125 WeakPolarHBondContact O-CB 3.43Å; T122-L125 WeakPolarHBondContact O-CD1 3.34Å; T122-L125 VanDerWaalsContact O-CG 3.25Å; T122-L125 WeakPolarHBondContact O-CG 3.42Å; T122-L125 PolarHBondContact O-N 3.43Å; T122-N207 WeakPolarHBondContact CB-ND2 3.26Å; T122-N207 PolarHBondContact OG1-ND2 3.26Å |
| 123 | D | 95.7 | Very high | 97.2 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64.6 | -21.6 | 175.8 | -92.2 | 11.1 | 0 | 0 | 0 | 113 | D121 L125 T126 R203 | D121-D123 PolarHBondContact O-N 2.94Å; D121-D123 PolarHBondContact OD1-N 3.28Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 3.07Å; D123-T126 PolarHBondContact O-OG1 2.92Å; D123-R203 PolarHBondContact O-NH1 3.49Å; D123-R203 IonicContact OD1-CZ 3.66Å; D123-R203 VanDerWaalsContact OD1-CZ 3.24Å; D123-R203 IonicContact OD1-NE 2.99Å; D123-R203 IonicContact OD1-NH1 3.46Å; D123-R203 PolarHBondContact OD1-NH1 2.84Å; D123-R203 IonicContact OD1-NH2 2.8Å; D123-R203 IonicContact OD2-NH1 3.66Å; D123-R203 PolarHBondContact OD2-NH1 2.69Å |
| 124 | R | 97.3 | Very high | 97.1 | Very high | 123 Ų | 123 | 54.3 Ų | 54.3 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -79.4 | -0.3 | 178.2 | -63.5 | -172.8 | 67.7 | -162.7 | 3.7 | 114.5 | L119 D121 T122 T126 V127 | L119-R124 HydrophobicContact CB-CB 4.08Å; L119-R124 HydrophobicContact CD1-CB 4.32Å; L119-R124 VanDerWaalsContact O-CD 3.29Å; L119-R124 WeakPolarHBondContact O-CD 3.26Å; L119-R124 PolarHBondContact O-NH1 2.92Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 WeakPolarHBondContact O-CB 3.3Å; D121-R124 PolarHBondContact O-N 3.44Å; T122-R124 PolarHBondContact O-N 3Å; R124-T126 PolarHBondContact O-N 3.3Å; R124-V127 HydrophobicContact CB-CG2 4.07Å; R124-V127 WeakPolarHBondContact O-CG2 3.42Å; R124-V127 PolarHBondContact O-N 3.16Å; R124-V127 VanDerWaalsContact O-N 3.11Å |
| 125 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -57.4 | -32.4 | 174.1 | -75.6 | 172.7 | 0 | 0 | 0 | 113.1 | Y115 L119 T122 D123 V127 V128 L168 I198 R203 V206 | Y115-L125 HydrophobicContact CD1-CD2 3.48Å; Y115-L125 VanDerWaalsContact CD1-CD2 3.48Å; Y115-L125 HydrophobicContact CD1-CG 4.47Å; Y115-L125 HydrophobicContact CD2-CD1 3.92Å; Y115-L125 HydrophobicContact CD2-CD2 3.9Å; Y115-L125 HydrophobicContact CD2-CG 4.34Å; Y115-L125 HydrophobicContact CE1-CD2 3.45Å; Y115-L125 VanDerWaalsContact CE1-CD2 3.45Å; Y115-L125 HydrophobicContact CE2-CD1 4.09Å; Y115-L125 HydrophobicContact CE2-CD2 3.87Å; Y115-L125 HydrophobicContact CG-CD1 4.33Å; Y115-L125 HydrophobicContact CG-CD2 3.7Å; Y115-L125 HydrophobicContact CG-CG 4.27Å; L119-L125 HydrophobicContact CD1-CD2 3.89Å; L119-L125 HydrophobicContact CD1-CG 4.29Å; T122-L125 WeakPolarHBondContact O-CB 3.43Å; T122-L125 WeakPolarHBondContact O-CD1 3.34Å; T122-L125 VanDerWaalsContact O-CG 3.25Å; T122-L125 WeakPolarHBondContact O-CG 3.42Å; T122-L125 PolarHBondContact O-N 3.43Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 3.07Å; L125-V127 PolarHBondContact O-N 3.23Å; L125-V128 PolarHBondContact O-N 3.23Å; L125-L168 HydrophobicContact CD2-CD1 4.05Å; L125-L168 HydrophobicContact CD2-CD2 4.18Å; L125-L168 HydrophobicContact CD2-CG 4.31Å; L125-I198 HydrophobicContact CB-CD1 3.83Å; L125-R203 HydrophobicContact CB-CG 4.06Å; L125-R203 HydrophobicContact CD1-CG 4.05Å; L125-V206 HydrophobicContact CD1-CB 4.4Å; L125-V206 HydrophobicContact CD1-CG1 3.84Å |
| 126 | T | 98 | Very high | 96.9 | Very high | 40 Ų | 40 | 52 Ų | 52 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -72.9 | -10.4 | 179.9 | 52.6 | 0 | 0 | 0 | 0 | 114 | D123 R124 A197 I198 R203 | D123-T126 PolarHBondContact O-OG1 2.92Å; R124-T126 PolarHBondContact O-N 3.3Å; T126-A197 VanDerWaalsContact O-CB 3.26Å; T126-A197 WeakPolarHBondContact O-CB 3.25Å; T126-I198 HydrophobicContact CG2-CG1 4.49Å; T126-R203 HydrophobicContact CG2-CB 4.06Å |
| 127 | V | 97.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -102.9 | -1.1 | 175.1 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | R124 L125 T129 | R124-V127 HydrophobicContact CB-CG2 4.07Å; R124-V127 WeakPolarHBondContact O-CG2 3.42Å; R124-V127 PolarHBondContact O-N 3.16Å; R124-V127 VanDerWaalsContact O-N 3.11Å; L125-V127 PolarHBondContact O-N 3.23Å; V127-T129 PolarHBondContact O-N 3.16Å |
| 128 | V | 98.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | trans | -75.4 | 114.7 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | L119 L125 L130 A165 L168 A197 | L119-V128 HydrophobicContact CD1-CG2 3.84Å; L119-V128 HydrophobicContact CD2-CG2 4.14Å; L125-V128 PolarHBondContact O-N 3.23Å; V128-L130 HydrophobicContact CG1-CD2 3.91Å; V128-A165 HydrophobicContact CG1-CB 4.38Å; V128-L168 HydrophobicContact CB-CD1 3.74Å; V128-L168 HydrophobicContact CG1-CD1 3.79Å; V128-L168 HydrophobicContact CG2-CD1 4.14Å; V128-A197 WeakPolarHBondContact O-CB 3.43Å | ||
| 129 | T | 98.2 | Very high | 96.7 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | trans | -77.1 | 130.7 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | V127 Q134 G196 | V127-T129 PolarHBondContact O-N 3.16Å; T129-Q134 HydrophobicContact CG2-CG 4.02Å; T129-Q134 WeakPolarHBondContact O-CG 3.35Å; T129-G196 CarbonylContact C-O 3.6Å | ||
| 130 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 152.5 | -179.1 | -49 | -178.9 | 0 | 0 | 0 | 109.4 | V128 L168 M169 L182 V183 L186 S195 G196 I198 | V128-L130 HydrophobicContact CG1-CD2 3.91Å; L130-L168 HydrophobicContact CD1-CB 4.27Å; L130-L168 HydrophobicContact CD2-CB 3.86Å; L130-L168 HydrophobicContact CD2-CD1 3.88Å; L130-M169 HydrophobicContact CB-CG 4.26Å; L130-M169 HydrophobicContact CB-SD 4.17Å; L130-M169 HydrophobicContact CD2-CG 3.86Å; L130-M169 HydrophobicContact CD2-SD 4.19Å; L130-M169 HydrophobicContact CG-CG 4.44Å; L130-L182 HydrophobicContact CD1-CD2 4.44Å; L130-V183 HydrophobicContact CD1-CG2 4.16Å; L130-L186 HydrophobicContact CB-CD1 4.08Å; L130-L186 WeakPolarHBondContact O-CD1 3.39Å; L130-S195 CarbonylContact O-C 3.56Å; L130-S195 WeakPolarHBondContact O-CA 3.39Å; L130-G196 PolarHBondContact N-O 3.03Å; L130-G196 PolarHBondContact O-N 2.86Å; L130-I198 HydrophobicContact CD1-CG2 3.86Å |
| 131 | G | 95.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 153.5 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q133 Q134 M135 M169 | G131-Q133 VanDerWaalsContact C-N 3.29Å; G131-Q133 PolarHBondContact O-N 2.54Å; G131-Q134 PolarHBondContact O-N 3.12Å; G131-Q134 VanDerWaalsContact O-N 3.16Å; G131-M135 PolarHBondContact O-N 2.67Å; G131-M169 WeakPolarHBondContact O-CE 3.28Å |
| 132 | P | 94.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.1 | -43.7 | 179.5 | 17.8 | -31.9 | 0 | 0 | 0 | 113 | M135 A136 M187 K194 | P132-M135 PolarHBondContact O-N 2.89Å; P132-A136 WeakPolarHBondContact O-CB 3.48Å; P132-A136 PolarHBondContact O-N 2.86Å; P132-M187 VanDerWaalsContact CA-SD 3.58Å; P132-M187 HydrophobicContact CB-CE 4.45Å; P132-M187 HydrophobicContact CB-SD 3.64Å; P132-M187 HydrophobicContact CG-SD 4.19Å; P132-K194 WeakPolarHBondContact CD-O 3.42Å; P132-K194 HydrophobicContact CG-CD 4.44Å |
| 133 | Q | 93.7 | Very high | 96.7 | Very high | 121 Ų | 121 | 40.4 Ų | 40.4 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.6 | -43.5 | 178.9 | -175.4 | 179.2 | 3.9 | 0 | 0 | 111.8 | G131 A136 Q137 | G131-Q133 VanDerWaalsContact C-N 3.29Å; G131-Q133 PolarHBondContact O-N 2.54Å; Q133-A136 PolarHBondContact O-N 2.99Å; Q133-Q137 HydrophobicContact CG-CG 4.44Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.42Å; Q133-Q137 PolarHBondContact O-N 2.85Å |
| 134 | Q | 96.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 17% | 0.173 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 179.6 | -70.2 | 72.9 | 23.9 | 0 | 0 | 111.1 | T129 G131 Q137 A138 | T129-Q134 HydrophobicContact CG2-CG 4.02Å; T129-Q134 WeakPolarHBondContact O-CG 3.35Å; G131-Q134 PolarHBondContact O-N 3.12Å; G131-Q134 VanDerWaalsContact O-N 3.16Å; Q134-Q137 PolarHBondContact O-N 2.92Å; Q134-A138 VanDerWaalsContact O-CB 3.32Å; Q134-A138 WeakPolarHBondContact O-CB 3.16Å; Q134-A138 PolarHBondContact O-N 3.28Å |
| 135 | M | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 173.1 | -176.9 | 173 | -92.6 | 0 | 0 | 111.6 | F11 V13 Y19 G131 P132 Q137 A138 V139 L166 M169 V170 M187 | F11-M135 HydrophobicContact CD1-SD 3.95Å; F11-M135 HydrophobicContact CE1-SD 3.76Å; V13-M135 HydrophobicContact CB-SD 4.45Å; V13-M135 HydrophobicContact CG1-CB 3.97Å; V13-M135 HydrophobicContact CG1-CG 3.87Å; V13-M135 HydrophobicContact CG1-SD 4.01Å; V13-M135 HydrophobicContact CG2-CG 3.76Å; V13-M135 HydrophobicContact CG2-SD 3.71Å; Y19-M135 HydrophobicContact CE2-CE 4.33Å; G131-M135 PolarHBondContact O-N 2.67Å; P132-M135 PolarHBondContact O-N 2.89Å; M135-Q137 PolarHBondContact O-N 3Å; M135-A138 PolarHBondContact O-N 3.47Å; M135-V139 VanDerWaalsContact O-CG2 3.3Å; M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 2.92Å; M135-L166 HydrophobicContact CG-CD2 4.04Å; M135-M169 HydrophobicContact CB-CE 3.69Å; M135-M169 HydrophobicContact CB-SD 3.98Å; M135-M169 HydrophobicContact CE-CB 3.4Å; M135-M169 HydrophobicContact CE-CE 3.69Å; M135-M169 HydrophobicContact CE-CG 4.36Å; M135-M169 HydrophobicContact CE-SD 4.19Å; M135-M169 HydrophobicContact CG-CE 4.42Å; M135-M169 HydrophobicContact SD-CE 4.24Å; M135-V170 HydrophobicContact CE-CG2 4.24Å; M135-M187 HydrophobicContact CB-CE 4.2Å; M135-M187 HydrophobicContact CE-CE 4.25Å; M135-M187 HydrophobicContact SD-CE 3.78Å |
| 136 | A | 95.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 A62 P132 Q133 V139 N140 | V13-A136 HydrophobicContact CG1-CB 4.14Å; A62-A136 HydrophobicContact CB-CB 4.12Å; P132-A136 WeakPolarHBondContact O-CB 3.48Å; P132-A136 PolarHBondContact O-N 2.86Å; Q133-A136 PolarHBondContact O-N 2.99Å; A136-V139 PolarHBondContact O-N 2.98Å; A136-N140 WeakPolarHBondContact O-CB 3.44Å; A136-N140 PolarHBondContact O-N 3.1Å; A136-N140 PolarHBondContact O-ND2 3.39Å |
| 137 | Q | 95.9 | Very high | 96.6 | Very high | 106 Ų | 106 | 39.7 Ų | 39.7 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -43 | 175.7 | -75 | 173.2 | -14.4 | 0 | 0 | 112 | Q133 Q134 M135 N140 A141 | Q133-Q137 HydrophobicContact CG-CG 4.44Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.42Å; Q133-Q137 PolarHBondContact O-N 2.85Å; Q134-Q137 PolarHBondContact O-N 2.92Å; M135-Q137 PolarHBondContact O-N 3Å; Q137-N140 PolarHBondContact O-N 3.01Å; Q137-A141 WeakPolarHBondContact O-CB 3.42Å; Q137-A141 PolarHBondContact O-N 3.02Å |
| 138 | A | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q134 M135 A141 L142 A162 A165 L166 | Q134-A138 VanDerWaalsContact O-CB 3.32Å; Q134-A138 WeakPolarHBondContact O-CB 3.16Å; Q134-A138 PolarHBondContact O-N 3.28Å; M135-A138 PolarHBondContact O-N 3.47Å; A138-A141 PolarHBondContact O-N 3.49Å; A138-L142 WeakPolarHBondContact O-CG 3.31Å; A138-L142 PolarHBondContact O-N 3.49Å; A138-L142 VanDerWaalsContact O-N 3.08Å; A138-A162 HydrophobicContact CB-CB 3.74Å; A138-A165 HydrophobicContact CB-CB 4.47Å; A138-L166 HydrophobicContact CB-CD1 4.32Å; A138-L166 HydrophobicContact CB-CD2 3.91Å; A138-L166 HydrophobicContact CB-CG 3.83Å |
| 139 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 174 | 168.3 | 0 | 0 | 0 | 0 | 110.6 | L60 A62 L68 M135 A136 A141 L142 A143 L166 | L60-V139 HydrophobicContact CB-CG2 3.53Å; L60-V139 HydrophobicContact CD1-CG2 3.86Å; L60-V139 HydrophobicContact CG-CG2 4.37Å; A62-V139 HydrophobicContact CB-CB 4.07Å; A62-V139 HydrophobicContact CB-CG1 3.73Å; L68-V139 HydrophobicContact CB-CG1 3.93Å; L68-V139 HydrophobicContact CD2-CG2 4.5Å; M135-V139 VanDerWaalsContact O-CG2 3.3Å; M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 2.92Å; A136-V139 PolarHBondContact O-N 2.98Å; V139-A141 PolarHBondContact O-N 2.87Å; V139-L142 PolarHBondContact O-N 3.45Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 3.35Å; V139-L166 HydrophobicContact CG2-CD2 4.39Å |
| 140 | N | 96.2 | Very high | 96.5 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -42.7 | -179.7 | -71.2 | -22.9 | 0 | 0 | 0 | 112.3 | A66 A136 Q137 A144 | A66-N140 VanDerWaalsContact CB-OD1 3.3Å; A66-N140 WeakPolarHBondContact CB-OD1 3.41Å; A136-N140 WeakPolarHBondContact O-CB 3.44Å; A136-N140 PolarHBondContact O-N 3.1Å; A136-N140 PolarHBondContact O-ND2 3.39Å; Q137-N140 PolarHBondContact O-N 3.01Å; N140-A144 WeakPolarHBondContact O-CB 3.5Å; N140-A144 PolarHBondContact O-N 3.34Å |
| 141 | A | 96.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q137 A138 V139 R145 R158 A162 | Q137-A141 WeakPolarHBondContact O-CB 3.42Å; Q137-A141 PolarHBondContact O-N 3.02Å; A138-A141 PolarHBondContact O-N 3.49Å; V139-A141 PolarHBondContact O-N 2.87Å; A141-R145 PolarHBondContact O-N 2.94Å; A141-R158 HydrophobicContact CB-CG 4.14Å; A141-A162 HydrophobicContact CB-CB 4.32Å |
| 142 | L | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.6 | -35 | -180 | -61.6 | -179.8 | 0 | 0 | 0 | 112.2 | L68 F82 A138 V139 A144 R145 A159 A162 V163 L166 | L68-L142 HydrophobicContact CD1-CB 3.66Å; L68-L142 HydrophobicContact CD2-CB 3.85Å; L68-L142 HydrophobicContact CD2-CD1 3.88Å; L68-L142 HydrophobicContact CD2-CG 4.46Å; L68-L142 HydrophobicContact CG-CB 4.43Å; F82-L142 HydrophobicContact CD2-CB 4.02Å; F82-L142 HydrophobicContact CE1-CD2 4.21Å; F82-L142 HydrophobicContact CE2-CB 3.94Å; F82-L142 HydrophobicContact CE2-CD2 4.1Å; F82-L142 HydrophobicContact CE2-CG 4.49Å; F82-L142 HydrophobicContact CZ-CD2 3.81Å; A138-L142 WeakPolarHBondContact O-CG 3.31Å; A138-L142 PolarHBondContact O-N 3.49Å; A138-L142 VanDerWaalsContact O-N 3.08Å; V139-L142 PolarHBondContact O-N 3.45Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.49Å; L142-R145 VanDerWaalsContact O-CB 3.29Å; L142-R145 WeakPolarHBondContact O-CB 3.37Å; L142-R145 PolarHBondContact O-N 3.38Å; L142-A159 HydrophobicContact CD2-CB 3.97Å; L142-A162 HydrophobicContact CD1-CB 4.07Å; L142-A162 HydrophobicContact CD2-CB 3.98Å; L142-A162 HydrophobicContact CG-CB 3.77Å; L142-V163 HydrophobicContact CD1-CG2 3.89Å; L142-V163 HydrophobicContact CD2-CG2 4.14Å; L142-L166 HydrophobicContact CD1-CD1 3.78Å |
| 143 | A | 96.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S84 S85 V139 R145 | S84-A143 WeakPolarHBondContact CB-O 3.4Å; S85-A143 VanDerWaalsContact CB-O 3.23Å; S85-A143 WeakPolarHBondContact CB-O 3.36Å; S85-A143 PolarHBondContact N-O 3.26Å; S85-A143 PolarHBondContact OG-O 3.4Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 3.35Å; A143-R145 VanDerWaalsContact C-N 3.3Å |
| 144 | A | 96 | Very high | 96.9 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | N140 L142 | N140-A144 WeakPolarHBondContact O-CB 3.5Å; N140-A144 PolarHBondContact O-N 3.34Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.49Å |
| 145 | R | 97.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | trans | -58.8 | 140.4 | -173.1 | -168 | 175.9 | 173.1 | 76.6 | -2.7 | 112.7 | W90 V109 A141 L142 A143 D149 | W90-R145 HydrophobicContact CD2-CG 4.5Å; W90-R145 HydrophobicContact CH2-CG 4.18Å; W90-R145 HydrophobicContact CZ2-CB 4.37Å; W90-R145 HydrophobicContact CZ2-CG 3.69Å; V109-R145 PolarHBondContact O-NH2 3.44Å; V109-R145 VanDerWaalsContact O-NH2 3.11Å; A141-R145 PolarHBondContact O-N 2.94Å; L142-R145 VanDerWaalsContact O-CB 3.29Å; L142-R145 WeakPolarHBondContact O-CB 3.37Å; L142-R145 PolarHBondContact O-N 3.38Å; A143-R145 VanDerWaalsContact C-N 3.3Å; R145-D149 WeakPolarHBondContact CA-OD2 3.49Å; R145-D149 HydrophobicContact CG-CB 4.42Å | ||
| 146 | R | 96.6 | Very high | 97 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | trans | -132.4 | 159.6 | 179.7 | -63 | -62.7 | -176.6 | -115.2 | 2.7 | 111.8 | S85 D86 W90 A148 D149 | S85-R146 PolarHBondContact OG-NH1 2.88Å; S85-R146 VanDerWaalsContact OG-NH1 3.1Å; S85-R146 PolarHBondContact OG-NH2 2.92Å; D86-R146 VanDerWaalsContact CB-NH1 3.32Å; D86-R146 VanDerWaalsContact CG-NH1 3.28Å; D86-R146 IonicContact OD1-NH1 3.6Å; D86-R146 IonicContact OD2-NH1 3.59Å; W90-R146 WeakPolarHBondContact CH2-O 3.15Å; R146-A148 PolarHBondContact O-N 3.11Å; R146-D149 PolarHBondContact N-OD2 3.5Å; R146-D149 VanDerWaalsContact O-CB 3.25Å; R146-D149 WeakPolarHBondContact O-CB 3.32Å; R146-D149 PolarHBondContact O-N 3.01Å | ||
| 147 | P | 96.2 | Very high | 97.2 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -51.3 | -37 | 175.8 | -31 | 38 | 0 | 0 | 0 | 115.1 | D149 L150 | P147-D149 PolarHBondContact O-N 3.4Å; P147-D149 VanDerWaalsContact O-N 3.17Å; P147-L150 WeakPolarHBondContact O-CB 3.37Å; P147-L150 PolarHBondContact O-N 3.22Å |
| 148 | A | 96.5 | Very high | 97.3 | Very high | 80 Ų | 80 | 52.7 Ų | 52.7 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | R146 L150 | R146-A148 PolarHBondContact O-N 3.11Å; A148-L150 PolarHBondContact O-N 3.01Å |
| 149 | D | 97.7 | Very high | 97.3 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -70.7 | -18.5 | 179.6 | -63.6 | -34.7 | 0 | 0 | 0 | 113.1 | R145 R146 P147 A151 N152 A155 | R145-D149 WeakPolarHBondContact CA-OD2 3.49Å; R145-D149 HydrophobicContact CG-CB 4.42Å; R146-D149 PolarHBondContact N-OD2 3.5Å; R146-D149 VanDerWaalsContact O-CB 3.25Å; R146-D149 WeakPolarHBondContact O-CB 3.32Å; R146-D149 PolarHBondContact O-N 3.01Å; P147-D149 PolarHBondContact O-N 3.4Å; P147-D149 VanDerWaalsContact O-N 3.17Å; D149-A151 VanDerWaalsContact C-N 3.26Å; D149-A151 PolarHBondContact O-N 3Å; D149-N152 PolarHBondContact O-N 3.2Å; D149-N152 VanDerWaalsContact O-N 3.09Å; D149-A155 HydrophobicContact CB-CB 3.72Å |
| 150 | L | 97.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61 | -36 | 178.7 | -75.6 | 169.2 | 0 | 0 | 0 | 112.4 | W90 T107 V109 P147 A148 N152 | W90-L150 HydrophobicContact CH2-CD1 4.45Å; W90-L150 HydrophobicContact CH2-CG 4.29Å; W90-L150 HydrophobicContact CZ3-CD1 4.06Å; W90-L150 HydrophobicContact CZ3-CD2 3.95Å; W90-L150 HydrophobicContact CZ3-CG 3.94Å; T107-L150 HydrophobicContact CG2-CD1 4.16Å; V109-L150 WeakPolarHBondContact O-CD2 3.41Å; P147-L150 WeakPolarHBondContact O-CB 3.37Å; P147-L150 PolarHBondContact O-N 3.22Å; A148-L150 PolarHBondContact O-N 3.01Å; L150-N152 VanDerWaalsContact C-N 3.33Å |
| 151 | A | 96.9 | Very high | 97.5 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 83% | 0.826 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -84.2 | -8.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D149 | D149-A151 VanDerWaalsContact C-N 3.26Å; D149-A151 PolarHBondContact O-N 3Å |
| 152 | N | 97.7 | Very high | 97.6 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | trans | -99.4 | 106.6 | -176.2 | -176.6 | -31.1 | 0 | 0 | 0 | 110.7 | D149 L150 A154 A155 Q156 | D149-N152 PolarHBondContact O-N 3.2Å; D149-N152 VanDerWaalsContact O-N 3.09Å; L150-N152 VanDerWaalsContact C-N 3.33Å; N152-A154 VanDerWaalsContact C-N 3.29Å; N152-A154 PolarHBondContact O-N 3.11Å; N152-A154 WeakPolarHBondContact OD1-CB 3.42Å; N152-A154 PolarHBondContact OD1-N 3.15Å; N152-A155 HydrophobicContact CB-CB 3.82Å; N152-A155 WeakPolarHBondContact O-CB 3.39Å; N152-A155 PolarHBondContact O-N 3Å; N152-A155 PolarHBondContact OD1-N 2.95Å; N152-A155 VanDerWaalsContact OD1-N 3.11Å; N152-Q156 PolarHBondContact O-N 3.37Å | ||
| 153 | G | 97.5 | Very high | 97.6 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.5 | -35.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q156 R157 | G153-Q156 PolarHBondContact O-N 2.9Å; G153-R157 PolarHBondContact O-N 3.49Å |
| 154 | A | 98 | Very high | 97.7 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N152 R158 | N152-A154 VanDerWaalsContact C-N 3.29Å; N152-A154 PolarHBondContact O-N 3.11Å; N152-A154 WeakPolarHBondContact OD1-CB 3.42Å; N152-A154 PolarHBondContact OD1-N 3.15Å; A154-R158 WeakPolarHBondContact O-CB 3.33Å; A154-R158 PolarHBondContact O-N 2.99Å |
| 155 | A | 98 | Very high | 97.8 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D149 N152 R158 A159 | D149-A155 HydrophobicContact CB-CB 3.72Å; N152-A155 HydrophobicContact CB-CB 3.82Å; N152-A155 WeakPolarHBondContact O-CB 3.39Å; N152-A155 PolarHBondContact O-N 3Å; N152-A155 PolarHBondContact OD1-N 2.95Å; N152-A155 VanDerWaalsContact OD1-N 3.11Å; A155-R158 PolarHBondContact O-N 2.99Å; A155-A159 WeakPolarHBondContact O-CB 3.37Å; A155-A159 PolarHBondContact O-N 3.17Å |
| 156 | Q | 98.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -50 | 171 | -72.3 | -60.2 | 90.9 | 0 | 0 | 111.6 | V109 N152 G153 R158 A159 M160 | V109-Q156 PolarHBondContact O-NE2 3.3Å; N152-Q156 PolarHBondContact O-N 3.37Å; G153-Q156 PolarHBondContact O-N 2.9Å; Q156-R158 PolarHBondContact O-N 2.94Å; Q156-A159 PolarHBondContact O-N 2.95Å; Q156-M160 HydrophobicContact CB-CE 4.06Å; Q156-M160 WeakPolarHBondContact O-CG 3.17Å; Q156-M160 PolarHBondContact O-N 3.45Å |
| 157 | R | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 46 Ų | 46 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 177.7 | -176.5 | 65 | -118.1 | 167.9 | 0.7 | 111.7 | L118 G153 A159 M160 D161 | L118-R157 VanDerWaalsContact O-CZ 3.31Å; L118-R157 PolarHBondContact O-NH1 3.37Å; L118-R157 PolarHBondContact O-NH2 3.35Å; G153-R157 PolarHBondContact O-N 3.49Å; R157-A159 VanDerWaalsContact C-N 3.29Å; R157-A159 PolarHBondContact O-N 3.45Å; R157-M160 WeakPolarHBondContact O-CB 3.45Å; R157-M160 PolarHBondContact O-N 3.04Å; R157-M160 VanDerWaalsContact O-N 3.17Å; R157-D161 IonicContact CZ-OD1 3.21Å; R157-D161 IonicContact CZ-OD2 3.22Å; R157-D161 IonicContact NE-OD1 3.24Å; R157-D161 PolarHBondContact NE-OD1 2.8Å; R157-D161 IonicContact NE-OD2 2.96Å; R157-D161 PolarHBondContact NE-OD2 2.91Å; R157-D161 IonicContact NH2-OD1 3.8Å; R157-D161 PolarHBondContact NH2-OD1 3.22Å; R157-D161 IonicContact NH2-OD2 2.91Å; R157-D161 PolarHBondContact O-N 2.95Å; R157-D161 VanDerWaalsContact O-OD2 3.11Å |
| 158 | R | 98.3 | Very high | 98.1 | Very high | 164 Ų | 164 | 43.1 Ų | 43.1 | 62% | 0.619 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 177.4 | -167.2 | -170.2 | -52.4 | -101.2 | -1.1 | 112.3 | A141 A154 A155 Q156 A162 | A141-R158 HydrophobicContact CB-CG 4.14Å; A154-R158 WeakPolarHBondContact O-CB 3.33Å; A154-R158 PolarHBondContact O-N 2.99Å; A155-R158 PolarHBondContact O-N 2.99Å; Q156-R158 PolarHBondContact O-N 2.94Å; R158-A162 VanDerWaalsContact O-CB 3.31Å; R158-A162 WeakPolarHBondContact O-CB 3.35Å; R158-A162 PolarHBondContact O-N 3.35Å |
| 159 | A | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F111 L142 A155 Q156 R157 A162 V163 | F111-A159 HydrophobicContact CE1-CB 3.93Å; F111-A159 HydrophobicContact CZ-CB 3.81Å; L142-A159 HydrophobicContact CD2-CB 3.97Å; A155-A159 WeakPolarHBondContact O-CB 3.37Å; A155-A159 PolarHBondContact O-N 3.17Å; Q156-A159 PolarHBondContact O-N 2.95Å; R157-A159 VanDerWaalsContact C-N 3.29Å; R157-A159 PolarHBondContact O-N 3.45Å; A159-A162 PolarHBondContact O-N 3.48Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.45Å; A159-V163 PolarHBondContact O-N 3.28Å |
| 160 | M | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.4 | -72.4 | -177.9 | -105.1 | 0 | 0 | 112 | F111 L118 Q156 R157 A162 V163 A164 | F111-M160 HydrophobicContact CB-CG 4.37Å; F111-M160 HydrophobicContact CB-SD 4.47Å; F111-M160 HydrophobicContact CD1-CE 4.5Å; F111-M160 HydrophobicContact CD1-CG 3.6Å; F111-M160 HydrophobicContact CD1-SD 4.41Å; F111-M160 HydrophobicContact CD2-CG 3.85Å; F111-M160 HydrophobicContact CE1-CG 3.73Å; F111-M160 HydrophobicContact CE2-CG 3.96Å; F111-M160 HydrophobicContact CG-CG 3.67Å; F111-M160 HydrophobicContact CG-SD 4.37Å; F111-M160 HydrophobicContact CZ-CG 3.91Å; L118-M160 HydrophobicContact CD2-CB 4.14Å; L118-M160 HydrophobicContact CD2-CG 4.19Å; Q156-M160 HydrophobicContact CB-CE 4.06Å; Q156-M160 WeakPolarHBondContact O-CG 3.17Å; Q156-M160 PolarHBondContact O-N 3.45Å; R157-M160 WeakPolarHBondContact O-CB 3.45Å; R157-M160 PolarHBondContact O-N 3.04Å; R157-M160 VanDerWaalsContact O-N 3.17Å; M160-A162 PolarHBondContact O-N 2.97Å; M160-V163 PolarHBondContact O-N 3.46Å; M160-A164 WeakPolarHBondContact O-CB 3.07Å; M160-A164 PolarHBondContact O-N 3.37Å |
| 161 | D | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.5 | -72 | -42.8 | 0 | 0 | 0 | 111.8 | R157 A164 A165 | R157-D161 IonicContact CZ-OD1 3.21Å; R157-D161 IonicContact CZ-OD2 3.22Å; R157-D161 IonicContact NE-OD1 3.24Å; R157-D161 PolarHBondContact NE-OD1 2.8Å; R157-D161 IonicContact NE-OD2 2.96Å; R157-D161 PolarHBondContact NE-OD2 2.91Å; R157-D161 IonicContact NH2-OD1 3.8Å; R157-D161 PolarHBondContact NH2-OD1 3.22Å; R157-D161 IonicContact NH2-OD2 2.91Å; R157-D161 PolarHBondContact O-N 2.95Å; R157-D161 VanDerWaalsContact O-OD2 3.11Å; D161-A164 PolarHBondContact O-N 3.39Å; D161-A165 PolarHBondContact O-N 2.94Å |
| 162 | A | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 5% | 0.05 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A138 A141 L142 R158 A159 M160 A164 A165 L166 | A138-A162 HydrophobicContact CB-CB 3.74Å; A141-A162 HydrophobicContact CB-CB 4.32Å; L142-A162 HydrophobicContact CD1-CB 4.07Å; L142-A162 HydrophobicContact CD2-CB 3.98Å; L142-A162 HydrophobicContact CG-CB 3.77Å; R158-A162 VanDerWaalsContact O-CB 3.31Å; R158-A162 WeakPolarHBondContact O-CB 3.35Å; R158-A162 PolarHBondContact O-N 3.35Å; A159-A162 PolarHBondContact O-N 3.48Å; M160-A162 PolarHBondContact O-N 2.97Å; A162-A164 VanDerWaalsContact C-N 3.35Å; A162-A164 PolarHBondContact O-N 2.72Å; A162-A165 PolarHBondContact O-N 3.09Å; A162-L166 WeakPolarHBondContact O-CG 3.4Å; A162-L166 PolarHBondContact O-N 3.34Å |
| 163 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | L79 F82 L92 F111 L118 L142 A159 M160 A165 L166 L167 | L79-V163 HydrophobicContact CD2-CG1 4.05Å; F82-V163 HydrophobicContact CE1-CG2 4.37Å; L92-V163 HydrophobicContact CD1-CG1 4.29Å; L92-V163 HydrophobicContact CD2-CG1 4.39Å; F111-V163 HydrophobicContact CE2-CG2 4.15Å; F111-V163 HydrophobicContact CZ-CG2 4.4Å; L118-V163 HydrophobicContact CD1-CB 4.44Å; L118-V163 HydrophobicContact CD1-CG1 3.77Å; L118-V163 HydrophobicContact CD2-CB 3.95Å; L118-V163 HydrophobicContact CD2-CG1 3.82Å; L118-V163 HydrophobicContact CG-CG1 4.47Å; L142-V163 HydrophobicContact CD1-CG2 3.89Å; L142-V163 HydrophobicContact CD2-CG2 4.14Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.45Å; A159-V163 PolarHBondContact O-N 3.28Å; M160-V163 PolarHBondContact O-N 3.46Å; V163-A165 PolarHBondContact O-N 3.11Å; V163-L166 PolarHBondContact O-N 3.25Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.34Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 WeakPolarHBondContact O-CG 3.49Å; V163-L167 PolarHBondContact O-N 2.83Å |
| 164 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L118 L119 M160 D161 A162 L167 L168 | L118-A164 HydrophobicContact CB-CB 4.27Å; L118-A164 HydrophobicContact CD1-CB 4.27Å; L119-A164 HydrophobicContact CD2-CB 3.83Å; L119-A164 HydrophobicContact CG-CB 4.32Å; M160-A164 WeakPolarHBondContact O-CB 3.07Å; M160-A164 PolarHBondContact O-N 3.37Å; D161-A164 PolarHBondContact O-N 3.39Å; A162-A164 VanDerWaalsContact C-N 3.35Å; A162-A164 PolarHBondContact O-N 2.72Å; A164-L167 PolarHBondContact O-N 2.67Å; A164-L168 PolarHBondContact O-N 3.24Å |
| 165 | A | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 7% | 0.066 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V128 A138 D161 A162 V163 L168 M169 | V128-A165 HydrophobicContact CG1-CB 4.38Å; A138-A165 HydrophobicContact CB-CB 4.47Å; D161-A165 PolarHBondContact O-N 2.94Å; A162-A165 PolarHBondContact O-N 3.09Å; V163-A165 PolarHBondContact O-N 3.11Å; A165-L168 PolarHBondContact O-N 3.15Å; A165-M169 WeakPolarHBondContact O-CB 3.2Å; A165-M169 VanDerWaalsContact O-CG 3.23Å; A165-M169 WeakPolarHBondContact O-CG 3.36Å; A165-M169 PolarHBondContact O-N 2.93Å |
| 166 | L | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.2 | -37.4 | 179.3 | -65.9 | -175.2 | 0 | 0 | 0 | 113 | L60 L68 L70 M135 A138 V139 L142 A162 V163 L168 M169 V170 | L60-L166 HydrophobicContact CD1-CD1 4.08Å; L60-L166 HydrophobicContact CD1-CD2 3.62Å; L60-L166 HydrophobicContact CD1-CG 4.39Å; L68-L166 HydrophobicContact CD2-CD1 3.53Å; L70-L166 HydrophobicContact CD2-CD1 4.38Å; M135-L166 HydrophobicContact CG-CD2 4.04Å; A138-L166 HydrophobicContact CB-CD1 4.32Å; A138-L166 HydrophobicContact CB-CD2 3.91Å; A138-L166 HydrophobicContact CB-CG 3.83Å; V139-L166 HydrophobicContact CG2-CD2 4.39Å; L142-L166 HydrophobicContact CD1-CD1 3.78Å; A162-L166 WeakPolarHBondContact O-CG 3.4Å; A162-L166 PolarHBondContact O-N 3.34Å; V163-L166 PolarHBondContact O-N 3.25Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.69Å; L166-M169 PolarHBondContact O-N 2.86Å; L166-V170 WeakPolarHBondContact O-CB 3.32Å; L166-V170 PolarHBondContact O-N 3.37Å |
| 167 | L | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.047 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -56 | -48.9 | 172.5 | -83.4 | 172 | 0 | 0 | 0 | 110.7 | L79 Y115 L118 V163 A164 M169 H171 E172 | L79-L167 HydrophobicContact CB-CD2 3.67Å; L79-L167 HydrophobicContact CD2-CD2 4.15Å; L79-L167 HydrophobicContact CD2-CG 4.25Å; Y115-L167 HydrophobicContact CE1-CB 4.1Å; Y115-L167 HydrophobicContact CE1-CD1 4.01Å; L118-L167 HydrophobicContact CD1-CD1 3.5Å; L118-L167 VanDerWaalsContact CD1-CD1 3.5Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.34Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 WeakPolarHBondContact O-CG 3.49Å; V163-L167 PolarHBondContact O-N 2.83Å; A164-L167 PolarHBondContact O-N 2.67Å; L167-M169 PolarHBondContact O-N 3.32Å; L167-H171 HydrophobicContact CD2-CB 4.04Å; L167-H171 CarbonylContact O-C 3.29Å; L167-H171 WeakPolarHBondContact O-CA 3.49Å; L167-H171 WeakPolarHBondContact O-CB 3.43Å; L167-H171 PolarHBondContact O-N 2.83Å; L167-E172 PolarHBondContact O-N 2.85Å |
| 168 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -61.9 | -44.6 | 177.9 | -78.5 | 166 | 0 | 0 | 0 | 112.1 | L125 V128 L130 A164 A165 L166 E172 A173 V179 I198 | L125-L168 HydrophobicContact CD2-CD1 4.05Å; L125-L168 HydrophobicContact CD2-CD2 4.18Å; L125-L168 HydrophobicContact CD2-CG 4.31Å; V128-L168 HydrophobicContact CB-CD1 3.74Å; V128-L168 HydrophobicContact CG1-CD1 3.79Å; V128-L168 HydrophobicContact CG2-CD1 4.14Å; L130-L168 HydrophobicContact CD1-CB 4.27Å; L130-L168 HydrophobicContact CD2-CB 3.86Å; L130-L168 HydrophobicContact CD2-CD1 3.88Å; A164-L168 PolarHBondContact O-N 3.24Å; A165-L168 PolarHBondContact O-N 3.15Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.69Å; L168-E172 HydrophobicContact CD2-CB 4.28Å; L168-E172 HydrophobicContact CD2-CG 3.97Å; L168-A173 PolarHBondContact O-N 3.02Å; L168-A173 VanDerWaalsContact O-N 3.1Å; L168-V179 WeakPolarHBondContact O-CG1 3.4Å; L168-I198 HydrophobicContact CD2-CD1 4.03Å; L168-I198 HydrophobicContact CD2-CG2 4.21Å |
| 169 | M | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -86.9 | -3 | -172.8 | -58.7 | 176.9 | 72 | 0 | 0 | 114.7 | Y19 L130 G131 M135 A165 L166 L167 V183 M187 | Y19-M169 WeakPolarHBondContact CE2-O 3.38Å; Y19-M169 PolarHBondContact OH-O 3.09Å; L130-M169 HydrophobicContact CB-CG 4.26Å; L130-M169 HydrophobicContact CB-SD 4.17Å; L130-M169 HydrophobicContact CD2-CG 3.86Å; L130-M169 HydrophobicContact CD2-SD 4.19Å; L130-M169 HydrophobicContact CG-CG 4.44Å; G131-M169 WeakPolarHBondContact O-CE 3.28Å; M135-M169 HydrophobicContact CB-CE 3.69Å; M135-M169 HydrophobicContact CB-SD 3.98Å; M135-M169 HydrophobicContact CE-CB 3.4Å; M135-M169 HydrophobicContact CE-CE 3.69Å; M135-M169 HydrophobicContact CE-CG 4.36Å; M135-M169 HydrophobicContact CE-SD 4.19Å; M135-M169 HydrophobicContact CG-CE 4.42Å; M135-M169 HydrophobicContact SD-CE 4.24Å; A165-M169 WeakPolarHBondContact O-CB 3.2Å; A165-M169 VanDerWaalsContact O-CG 3.23Å; A165-M169 WeakPolarHBondContact O-CG 3.36Å; A165-M169 PolarHBondContact O-N 2.93Å; L166-M169 PolarHBondContact O-N 2.86Å; L167-M169 PolarHBondContact O-N 3.32Å; M169-V183 HydrophobicContact CB-CG1 4.4Å; M169-V183 HydrophobicContact CE-CG1 3.7Å; M169-V183 HydrophobicContact CG-CG1 4.35Å; M169-V183 HydrophobicContact CG-CG2 4.19Å; M169-M187 HydrophobicContact CE-CE 3.05Å |
| 170 | V | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -127.9 | -60.6 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | V58 L60 M135 L166 T174 | V58-V170 HydrophobicContact CG1-CG1 4.14Å; V58-V170 HydrophobicContact CG2-CG1 4.08Å; L60-V170 HydrophobicContact CD1-CG2 4.18Å; L60-V170 HydrophobicContact CD2-CG2 4.3Å; M135-V170 HydrophobicContact CE-CG2 4.24Å; L166-V170 WeakPolarHBondContact O-CB 3.32Å; L166-V170 PolarHBondContact O-N 3.37Å; V170-T174 VanDerWaalsContact O-CB 3.3Å; V170-T174 WeakPolarHBondContact O-CB 3.43Å; V170-T174 PolarHBondContact O-N 3.45Å; V170-T174 PolarHBondContact O-OG1 3.3Å |
| 171 | H | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -76.3 | -50 | -171.8 | -57.2 | 77 | 0 | 0 | 0 | 112 | T72 L77 L167 T174 R175 | T72-H171 VanDerWaalsContact CG2-CD2 3.44Å; T72-H171 WeakPolarHBondContact CG2-CD2 3.44Å; T72-H171 WeakPolarHBondContact CG2-NE2 3.35Å; T72-H171 PolarHBondContact OG1-NE2 2.82Å; L77-H171 PolarHBondContact O-CD2 3.33Å; L167-H171 HydrophobicContact CD2-CB 4.04Å; L167-H171 CarbonylContact O-C 3.29Å; L167-H171 WeakPolarHBondContact O-CA 3.49Å; L167-H171 WeakPolarHBondContact O-CB 3.43Å; L167-H171 PolarHBondContact O-N 2.83Å; H171-T174 WeakPolarHBondContact O-CB 3.12Å; H171-T174 PolarHBondContact O-N 2.75Å; H171-T174 VanDerWaalsContact O-N 3.12Å; H171-R175 WeakPolarHBondContact O-CG 3.46Å; H171-R175 PolarHBondContact O-N 3.15Å |
| 172 | E | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 15 Ų | 15 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -70.2 | -36.2 | 176.7 | -51.2 | -49 | 159.2 | 0 | 0 | 111.8 | Y115 L167 L168 T174 R175 F176 V179 V206 | Y115-E172 WeakPolarHBondContact OH-CG 3.33Å; Y115-E172 PolarHBondContact OH-OE1 3.13Å; Y115-E172 VanDerWaalsContact OH-OE1 3.08Å; L167-E172 PolarHBondContact O-N 2.85Å; L168-E172 HydrophobicContact CD2-CB 4.28Å; L168-E172 HydrophobicContact CD2-CG 3.97Å; E172-T174 VanDerWaalsContact C-N 3.27Å; E172-T174 PolarHBondContact O-N 3Å; E172-R175 PolarHBondContact O-N 3.26Å; E172-R175 IonicContact OE1-CZ 3.83Å; E172-R175 IonicContact OE1-NH1 3.83Å; E172-R175 PolarHBondContact OE1-NH1 3.5Å; E172-R175 WeakPolarHBondContact OE2-CD 3.14Å; E172-R175 IonicContact OE2-CZ 2.99Å; E172-R175 IonicContact OE2-NE 3.48Å; E172-R175 IonicContact OE2-NH1 3.3Å; E172-R175 PolarHBondContact OE2-NH1 3.07Å; E172-F176 HydrophobicContact CB-CD2 4.5Å; E172-F176 WeakPolarHBondContact O-CD2 3.26Å; E172-F176 PolarHBondContact O-N 2.81Å; E172-V179 HydrophobicContact CB-CG1 4.15Å; E172-V179 HydrophobicContact CB-CG2 4.44Å; E172-V206 HydrophobicContact CB-CG2 4.02Å; E172-V206 HydrophobicContact CG-CG1 3.92Å; E172-V206 HydrophobicContact CG-CG2 4.03Å |
| 173 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y19 I23 R27 L168 V179 S180 | Y19-A173 WeakPolarHBondContact OH-CB 3.37Å; I23-A173 HydrophobicContact CD1-CB 3.86Å; I23-A173 HydrophobicContact CG1-CB 4.27Å; I23-A173 WeakPolarHBondContact CG2-O 3.49Å; R27-A173 PolarHBondContact NH2-O 3.46Å; L168-A173 PolarHBondContact O-N 3.02Å; L168-A173 VanDerWaalsContact O-N 3.1Å; A173-V179 HydrophobicContact CB-CG1 4.17Å; A173-S180 WeakPolarHBondContact O-CB 3.45Å |
| 174 | T | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 173.2 | -60.8 | 0 | 0 | 0 | 0 | 111 | I26 R27 L77 V170 H171 E172 F176 I247 | I26-T174 HydrophobicContact CB-CG2 4.32Å; I26-T174 HydrophobicContact CG2-CG2 3.63Å; R27-T174 HydrophobicContact CG-CG2 3.84Å; R27-T174 PolarHBondContact NE-O 2.87Å; L77-T174 HydrophobicContact CD1-CG2 3.64Å; L77-T174 HydrophobicContact CD2-CG2 4.44Å; V170-T174 VanDerWaalsContact O-CB 3.3Å; V170-T174 WeakPolarHBondContact O-CB 3.43Å; V170-T174 PolarHBondContact O-N 3.45Å; V170-T174 PolarHBondContact O-OG1 3.3Å; H171-T174 WeakPolarHBondContact O-CB 3.12Å; H171-T174 PolarHBondContact O-N 2.75Å; H171-T174 VanDerWaalsContact O-N 3.12Å; E172-T174 VanDerWaalsContact C-N 3.27Å; E172-T174 PolarHBondContact O-N 3Å; T174-F176 PolarHBondContact O-N 3.12Å; T174-I247 HydrophobicContact CG2-CG2 4.21Å |
| 175 | R | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 18.2 Ų | 18.2 | 6% | 0.064 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -31.7 | -179.2 | -69.5 | 167.2 | 177.5 | 154.7 | 3.3 | 114.3 | N76 L77 Y78 H171 E172 W209 G246 I247 | N76-R175 PolarHBondContact O-NH2 2.82Å; N76-R175 VanDerWaalsContact O-NH2 3.13Å; L77-R175 HydrophobicContact CD1-CG 3.77Å; L77-R175 PolarHBondContact O-NH2 3.2Å; L77-R175 VanDerWaalsContact O-NH2 3.11Å; Y78-R175 VanDerWaalsContact CD1-NH2 3.3Å; H171-R175 WeakPolarHBondContact O-CG 3.46Å; H171-R175 PolarHBondContact O-N 3.15Å; E172-R175 PolarHBondContact O-N 3.26Å; E172-R175 IonicContact OE1-CZ 3.83Å; E172-R175 IonicContact OE1-NH1 3.83Å; E172-R175 PolarHBondContact OE1-NH1 3.5Å; E172-R175 WeakPolarHBondContact OE2-CD 3.14Å; E172-R175 IonicContact OE2-CZ 2.99Å; E172-R175 IonicContact OE2-NE 3.48Å; E172-R175 IonicContact OE2-NH1 3.3Å; E172-R175 PolarHBondContact OE2-NH1 3.07Å; R175-W209 HydrophobicContact CB-CD2 4.34Å; R175-W209 HydrophobicContact CB-CG 4.44Å; R175-W209 HydrophobicContact CG-CD2 3.86Å; R175-W209 HydrophobicContact CG-CE3 4.16Å; R175-W209 HydrophobicContact CG-CG 4.43Å; R175-W209 HydrophobicContact CG-CH2 4.04Å; R175-W209 HydrophobicContact CG-CZ2 3.75Å; R175-W209 HydrophobicContact CG-CZ3 4.25Å; R175-W209 VanDerWaalsContact NE-CZ3 3.29Å; R175-G246 VanDerWaalsContact O-CA 3.26Å; R175-G246 WeakPolarHBondContact O-CA 3.45Å; R175-G246 PolarHBondContact O-N 3.33Å; R175-I247 PolarHBondContact O-N 3.28Å |
| 176 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -130.3 | 130.3 | -171.5 | -60.5 | -77.7 | 0 | 0 | 0 | 113.3 | R27 E172 T174 T178 V179 S180 Q205 V206 W209 L212 T244 | R27-F176 PolarHBondContact NH2-O 3.4Å; R27-F176 VanDerWaalsContact NH2-O 3.15Å; E172-F176 HydrophobicContact CB-CD2 4.5Å; E172-F176 WeakPolarHBondContact O-CD2 3.26Å; E172-F176 PolarHBondContact O-N 2.81Å; T174-F176 PolarHBondContact O-N 3.12Å; F176-T178 VanDerWaalsContact C-N 3.33Å; F176-V179 HydrophobicContact CB-CB 4.12Å; F176-V179 HydrophobicContact CB-CG2 3.83Å; F176-V179 HydrophobicContact CD2-CG2 4.37Å; F176-V179 HydrophobicContact CG-CG2 4.41Å; F176-S180 PolarHBondContact O-N 3.16Å; F176-S180 PolarHBondContact O-OG 2.96Å; F176-Q205 HydrophobicContact CD1-CB 4.05Å; F176-Q205 HydrophobicContact CE1-CB 3.84Å; F176-Q205 VanDerWaalsContact CZ-C 3.43Å; F176-Q205 HydrophobicContact CZ-CB 4.3Å; F176-Q205 WeakPolarHBondContact CZ-O 3.35Å; F176-V206 HydrophobicContact CD2-CG2 4.15Å; F176-V206 HydrophobicContact CE2-CB 4.46Å; F176-V206 HydrophobicContact CE2-CG2 4.12Å; F176-W209 HydrophobicContact CE2-CB 4.14Å; F176-W209 HydrophobicContact CE2-CG 4.3Å; F176-W209 HydrophobicContact CZ-CB 3.56Å; F176-W209 AromaticContact CZ-CD1 3.66Å; F176-W209 AromaticContact CZ-CG 3.84Å; F176-W209 HydrophobicContact CZ-CG 3.84Å; F176-L212 HydrophobicContact CE1-CD2 4.19Å; F176-T244 CarbonylContact C-O 3.59Å; F176-T244 WeakPolarHBondContact CA-O 3.23Å; F176-T244 HydrophobicContact CD1-CG2 4.27Å |
| 177 | Q | 98.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 19.8 Ų | 19.8 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 171.1 | -70.9 | -165.4 | -15.2 | 0 | 0 | 111.3 | V179 S180 R181 A243 T244 | Q177-V179 PolarHBondContact O-N 2.66Å; Q177-S180 WeakPolarHBondContact CA-OG 3.44Å; Q177-S180 PolarHBondContact O-N 2.89Å; Q177-S180 PolarHBondContact O-OG 2.83Å; Q177-R181 WeakPolarHBondContact O-CB 3.36Å; Q177-R181 WeakPolarHBondContact O-CG 3.48Å; Q177-R181 PolarHBondContact O-N 3.17Å; Q177-A243 WeakPolarHBondContact CB-O 3.47Å; Q177-A243 PolarHBondContact OE1-O 3.1Å; Q177-T244 PolarHBondContact N-O 2.94Å |
| 178 | T | 98.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 19% | 0.19 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55 | -49.2 | 178.3 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | F176 R181 L182 Q205 T244 | F176-T178 VanDerWaalsContact C-N 3.33Å; T178-R181 PolarHBondContact O-N 3.08Å; T178-L182 PolarHBondContact O-N 3.3Å; T178-L182 VanDerWaalsContact O-N 3.09Å; T178-Q205 PolarHBondContact OG1-OE1 3.18Å; T178-T244 HydrophobicContact CG2-CG2 4.09Å |
| 179 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -46.3 | 178 | -176.4 | 0 | 0 | 0 | 0 | 111 | L168 E172 A173 F176 Q177 R181 L182 V183 M202 V206 | L168-V179 WeakPolarHBondContact O-CG1 3.4Å; E172-V179 HydrophobicContact CB-CG1 4.15Å; E172-V179 HydrophobicContact CB-CG2 4.44Å; A173-V179 HydrophobicContact CB-CG1 4.17Å; F176-V179 HydrophobicContact CB-CB 4.12Å; F176-V179 HydrophobicContact CB-CG2 3.83Å; F176-V179 HydrophobicContact CD2-CG2 4.37Å; F176-V179 HydrophobicContact CG-CG2 4.41Å; Q177-V179 PolarHBondContact O-N 2.66Å; V179-R181 VanDerWaalsContact C-N 3.33Å; V179-R181 PolarHBondContact O-N 2.87Å; V179-L182 PolarHBondContact O-N 3.48Å; V179-V183 HydrophobicContact CG1-CG2 4.48Å; V179-V183 WeakPolarHBondContact O-CG2 3.05Å; V179-V183 PolarHBondContact O-N 3.3Å; V179-M202 VanDerWaalsContact CA-CE 3.43Å; V179-M202 HydrophobicContact CB-CE 4.09Å; V179-M202 HydrophobicContact CG2-CE 3.7Å; V179-V206 HydrophobicContact CG2-CG2 4.13Å |
| 180 | S | 98.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 178 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | R27 A173 F176 Q177 A184 | R27-S180 PolarHBondContact NH2-OG 2.93Å; A173-S180 WeakPolarHBondContact O-CB 3.45Å; F176-S180 PolarHBondContact O-N 3.16Å; F176-S180 PolarHBondContact O-OG 2.96Å; Q177-S180 WeakPolarHBondContact CA-OG 3.44Å; Q177-S180 PolarHBondContact O-N 2.89Å; Q177-S180 PolarHBondContact O-OG 2.83Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 2.9Å |
| 181 | R | 97.5 | Very high | 95.5 | Very high | 143 Ų | 143 | 38.8 Ų | 38.8 | 54% | 0.54 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 177.9 | -75.1 | -178 | -170.8 | 122.2 | 4.9 | 111.3 | Q177 T178 V179 G185 A243 | Q177-R181 WeakPolarHBondContact O-CB 3.36Å; Q177-R181 WeakPolarHBondContact O-CG 3.48Å; Q177-R181 PolarHBondContact O-N 3.17Å; T178-R181 PolarHBondContact O-N 3.08Å; V179-R181 VanDerWaalsContact C-N 3.33Å; V179-R181 PolarHBondContact O-N 2.87Å; R181-G185 PolarHBondContact O-N 3.38Å; R181-A243 PolarHBondContact NH1-O 3.03Å; R181-A243 VanDerWaalsContact NH1-O 3.12Å |
| 182 | L | 97.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -54.6 | 173.6 | 173.7 | 65.9 | 0 | 0 | 0 | 110.3 | L130 T178 V179 A184 G185 L186 I198 M202 | L130-L182 HydrophobicContact CD1-CD2 4.44Å; T178-L182 PolarHBondContact O-N 3.3Å; T178-L182 VanDerWaalsContact O-N 3.09Å; V179-L182 PolarHBondContact O-N 3.48Å; L182-A184 PolarHBondContact O-N 3.25Å; L182-G185 PolarHBondContact O-N 2.7Å; L182-G185 VanDerWaalsContact O-N 3.15Å; L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CG-CD1 4.37Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.3Å; L182-L186 VanDerWaalsContact O-N 3.09Å; L182-I198 HydrophobicContact CD2-CB 4.43Å; L182-I198 HydrophobicContact CD2-CG2 3.95Å; L182-M202 HydrophobicContact CB-CE 3.94Å; L182-M202 HydrophobicContact CD2-CE 3.68Å; L182-M202 HydrophobicContact CD2-SD 4.24Å; L182-M202 HydrophobicContact CG-CE 4.47Å |
| 183 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | -176.7 | 180 | 0 | 0 | 0 | 0 | 111.2 | Y19 L130 M169 V179 G185 L186 M187 | Y19-V183 HydrophobicContact CD1-CB 4.4Å; Y19-V183 HydrophobicContact CD1-CG1 4.15Å; Y19-V183 HydrophobicContact CD2-CG1 4.32Å; Y19-V183 HydrophobicContact CE1-CB 3.58Å; Y19-V183 HydrophobicContact CE1-CG1 3.54Å; Y19-V183 HydrophobicContact CE2-CG1 3.73Å; Y19-V183 HydrophobicContact CG-CG1 4.5Å; Y19-V183 WeakPolarHBondContact OH-CG1 3.22Å; L130-V183 HydrophobicContact CD1-CG2 4.16Å; M169-V183 HydrophobicContact CB-CG1 4.4Å; M169-V183 HydrophobicContact CE-CG1 3.7Å; M169-V183 HydrophobicContact CG-CG1 4.35Å; M169-V183 HydrophobicContact CG-CG2 4.19Å; V179-V183 HydrophobicContact CG1-CG2 4.48Å; V179-V183 WeakPolarHBondContact O-CG2 3.05Å; V179-V183 PolarHBondContact O-N 3.3Å; V183-G185 VanDerWaalsContact C-N 3.28Å; V183-G185 PolarHBondContact O-N 2.64Å; V183-L186 PolarHBondContact O-N 2.77Å; V183-L186 VanDerWaalsContact O-N 3.11Å; V183-M187 HydrophobicContact CG1-CE 4Å; V183-M187 HydrophobicContact CG1-CG 4.09Å; V183-M187 WeakPolarHBondContact O-CG 3.45Å; V183-M187 PolarHBondContact O-N 3.26Å |
| 184 | A | 95.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y19 S180 L182 L186 M187 H188 | Y19-A184 HydrophobicContact CD1-CB 3.87Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 2.9Å; L182-A184 PolarHBondContact O-N 3.25Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 3.13Å; A184-M187 PolarHBondContact O-N 3.22Å; A184-H188 PolarHBondContact O-N 3.45Å |
| 185 | G | 95 | Very high | 93.7 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R181 L182 V183 A191 | R181-G185 PolarHBondContact O-N 3.38Å; L182-G185 PolarHBondContact O-N 2.7Å; L182-G185 VanDerWaalsContact O-N 3.15Å; V183-G185 VanDerWaalsContact C-N 3.28Å; V183-G185 PolarHBondContact O-N 2.64Å; G185-A191 WeakPolarHBondContact O-CB 3.43Å |
| 186 | L | 95 | Very high | 93.6 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.5 | -32.2 | 176.7 | -60.9 | 175.4 | 0 | 0 | 0 | 112.9 | L130 L182 V183 A184 S195 | L130-L186 HydrophobicContact CB-CD1 4.08Å; L130-L186 WeakPolarHBondContact O-CD1 3.39Å; L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CG-CD1 4.37Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.3Å; L182-L186 VanDerWaalsContact O-N 3.09Å; V183-L186 PolarHBondContact O-N 2.77Å; V183-L186 VanDerWaalsContact O-N 3.11Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 3.13Å; L186-S195 VanDerWaalsContact CD2-C 3.49Å |
| 187 | M | 92.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 14% | 0.138 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.7 | -24.7 | -179.9 | -68.8 | -68.5 | 178.1 | 0 | 0 | 113 | Y19 P132 M135 M169 V183 A184 | Y19-M187 HydrophobicContact CD2-CG 4.4Å; Y19-M187 HydrophobicContact CG-CG 4.24Å; P132-M187 VanDerWaalsContact CA-SD 3.58Å; P132-M187 HydrophobicContact CB-CE 4.45Å; P132-M187 HydrophobicContact CB-SD 3.64Å; P132-M187 HydrophobicContact CG-SD 4.19Å; M135-M187 HydrophobicContact CB-CE 4.2Å; M135-M187 HydrophobicContact CE-CE 4.25Å; M135-M187 HydrophobicContact SD-CE 3.78Å; M169-M187 HydrophobicContact CE-CE 3.05Å; V183-M187 HydrophobicContact CG1-CE 4Å; V183-M187 HydrophobicContact CG1-CG 4.09Å; V183-M187 WeakPolarHBondContact O-CG 3.45Å; V183-M187 PolarHBondContact O-N 3.26Å; A184-M187 PolarHBondContact O-N 3.22Å |
| 188 | H | 88.9 | Confident | 93.6 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -58.8 | 137.8 | -172.4 | -168.5 | -92.5 | 0 | 0 | 0 | 112.2 | A184 K190 A191 K194 | A184-H188 PolarHBondContact O-N 3.45Å; H188-K190 PolarHBondContact ND1-N 2.91Å; H188-K190 VanDerWaalsContact ND1-N 3.17Å; H188-K190 PolarHBondContact O-N 3.4Å; H188-K190 VanDerWaalsContact O-N 3.13Å; H188-A191 HydrophobicContact CB-CB 4.37Å; H188-A191 WeakPolarHBondContact O-CB 3.24Å; H188-A191 PolarHBondContact O-N 3.44Å; H188-K194 PolarHBondContact O-NZ 3.16Å |
| 189 | P | 85.6 | Confident | 93.6 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -39.7 | -178.4 | -29.9 | 35.9 | 0 | 0 | 0 | 113.6 | K194 | P189-K194 PolarHBondContact O-NZ 2.96Š|
| 190 | K | 86.7 | Confident | 93.5 | Very high | 187 Ų | 187 | 60.8 Ų | 60.8 | 81% | 0.813 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.7 | 178.6 | -56.8 | -179.1 | 178.1 | 178.5 | 0 | 114.9 | H188 A192 | H188-K190 PolarHBondContact ND1-N 2.91Å; H188-K190 VanDerWaalsContact ND1-N 3.17Å; H188-K190 PolarHBondContact O-N 3.4Å; H188-K190 VanDerWaalsContact O-N 3.13Å; K190-A192 PolarHBondContact O-N 3.47Å |
| 191 | A | 86.2 | Confident | 93.5 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | trans | -58.9 | 131.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G185 H188 S193 K194 | G185-A191 WeakPolarHBondContact O-CB 3.43Å; H188-A191 HydrophobicContact CB-CB 4.37Å; H188-A191 WeakPolarHBondContact O-CB 3.24Å; H188-A191 PolarHBondContact O-N 3.44Å; A191-S193 VanDerWaalsContact C-N 3.28Å; A191-S193 WeakPolarHBondContact CB-O 3.34Å; A191-S193 PolarHBondContact O-N 2.62Å; A191-K194 HydrophobicContact CB-CD 4.16Å | ||
| 192 | A | 82.2 | Confident | 93.6 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 98% | 0.975 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -65.1 | -33.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K190 | K190-A192 PolarHBondContact O-N 3.47Š|
| 193 | S | 88.6 | Confident | 93.7 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 42% | 0.42 | 34% | 0.343 | S | S | . | . | trans | -124.2 | 137.3 | 168.4 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | A191 S195 | A191-S193 VanDerWaalsContact C-N 3.28Å; A191-S193 WeakPolarHBondContact CB-O 3.34Å; A191-S193 PolarHBondContact O-N 2.62Å; S193-S195 VanDerWaalsContact C-N 3.35Å; S193-S195 PolarHBondContact OG-N 3.01Å; S193-S195 PolarHBondContact OG-O 3.13Å | ||
| 194 | K | 91.2 | Very high | 93.7 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -94.5 | 6.4 | 174.3 | -62.1 | -69.2 | 178.9 | 171.7 | 0 | 112.7 | P132 H188 P189 A191 | P132-K194 WeakPolarHBondContact CD-O 3.42Å; P132-K194 HydrophobicContact CG-CD 4.44Å; H188-K194 PolarHBondContact O-NZ 3.16Å; P189-K194 PolarHBondContact O-NZ 2.96Å; A191-K194 HydrophobicContact CB-CD 4.16Å |
| 195 | S | 96.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | trans | -147.9 | 151.8 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | L130 L186 S193 | L130-S195 CarbonylContact O-C 3.56Å; L130-S195 WeakPolarHBondContact O-CA 3.39Å; L186-S195 VanDerWaalsContact CD2-C 3.49Å; S193-S195 VanDerWaalsContact C-N 3.35Å; S193-S195 PolarHBondContact OG-N 3.01Å; S193-S195 PolarHBondContact OG-O 3.13Å | ||
| 196 | G | 97.4 | Very high | 94 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -168.6 | -176.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T129 L130 | T129-G196 CarbonylContact C-O 3.6Å; L130-G196 PolarHBondContact N-O 3.03Å; L130-G196 PolarHBondContact O-N 2.86Å |
| 197 | A | 98.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 58 Ų | 58 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | trans | -135.6 | 160.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T126 V128 | T126-A197 VanDerWaalsContact O-CB 3.26Å; T126-A197 WeakPolarHBondContact O-CB 3.25Å; V128-A197 WeakPolarHBondContact O-CB 3.43Å | ||
| 198 | I | 98.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | trans | -68.8 | 151 | 176 | 70.9 | 172.2 | 0 | 0 | 0 | 110.6 | L125 T126 L130 L168 L182 M202 R203 | L125-I198 HydrophobicContact CB-CD1 3.83Å; T126-I198 HydrophobicContact CG2-CG1 4.49Å; L130-I198 HydrophobicContact CD1-CG2 3.86Å; L168-I198 HydrophobicContact CD2-CD1 4.03Å; L168-I198 HydrophobicContact CD2-CG2 4.21Å; L182-I198 HydrophobicContact CD2-CB 4.43Å; L182-I198 HydrophobicContact CD2-CG2 3.95Å; I198-M202 HydrophobicContact CB-CB 3.91Å; I198-M202 HydrophobicContact CB-CE 4.05Å; I198-M202 HydrophobicContact CB-SD 4.33Å; I198-M202 HydrophobicContact CG2-CE 3.88Å; I198-R203 HydrophobicContact CD1-CB 3.96Å | ||
| 199 | T | 98.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | trans | -77.3 | 167.5 | 175 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | A201 M202 R203 | T199-A201 VanDerWaalsContact C-N 3.27Å; T199-A201 PolarHBondContact O-N 3.17Å; T199-M202 HydrophobicContact CG2-SD 4.25Å; T199-M202 PolarHBondContact O-N 2.78Å; T199-M202 WeakPolarHBondContact OG1-CG 3.29Å; T199-M202 PolarHBondContact OG1-N 3.12Å; T199-R203 PolarHBondContact O-N 3.21Å | ||
| 200 | T | 98.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.5 | -40.1 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | R203 K204 | T200-R203 WeakPolarHBondContact O-CB 3.3Å; T200-R203 PolarHBondContact O-N 3.42Å; T200-K204 WeakPolarHBondContact O-CG 3.47Å; T200-K204 PolarHBondContact O-N 2.9Å; T200-K204 VanDerWaalsContact O-N 3.08Å |
| 201 | A | 98.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T199 R203 K204 Q205 | T199-A201 VanDerWaalsContact C-N 3.27Å; T199-A201 PolarHBondContact O-N 3.17Å; A201-R203 VanDerWaalsContact C-N 3.3Å; A201-R203 PolarHBondContact O-N 3.32Å; A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 3.47Å; A201-K204 VanDerWaalsContact O-N 3.08Å; A201-Q205 WeakPolarHBondContact O-CG 3.41Å; A201-Q205 PolarHBondContact O-N 2.88Å |
| 202 | M | 98.7 | Very high | 96.7 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 175.4 | -68.8 | 171.2 | 68.3 | 0 | 0 | 112.2 | V179 L182 I198 T199 Q205 V206 | V179-M202 VanDerWaalsContact CA-CE 3.43Å; V179-M202 HydrophobicContact CB-CE 4.09Å; V179-M202 HydrophobicContact CG2-CE 3.7Å; L182-M202 HydrophobicContact CB-CE 3.94Å; L182-M202 HydrophobicContact CD2-CE 3.68Å; L182-M202 HydrophobicContact CD2-SD 4.24Å; L182-M202 HydrophobicContact CG-CE 4.47Å; I198-M202 HydrophobicContact CB-CB 3.91Å; I198-M202 HydrophobicContact CB-CE 4.05Å; I198-M202 HydrophobicContact CB-SD 4.33Å; I198-M202 HydrophobicContact CG2-CE 3.88Å; T199-M202 HydrophobicContact CG2-SD 4.25Å; T199-M202 PolarHBondContact O-N 2.78Å; T199-M202 WeakPolarHBondContact OG1-CG 3.29Å; T199-M202 PolarHBondContact OG1-N 3.12Å; M202-Q205 WeakPolarHBondContact O-CB 3.15Å; M202-Q205 PolarHBondContact O-N 2.66Å; M202-V206 WeakPolarHBondContact O-CG2 3.5Å; M202-V206 PolarHBondContact O-N 3.22Å |
| 203 | R | 98.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 171.4 | 174.1 | -169.5 | 65.2 | 168.5 | 17 | 111.4 | D123 L125 T126 I198 T199 T200 A201 Q205 V206 N207 | D123-R203 PolarHBondContact O-NH1 3.49Å; D123-R203 IonicContact OD1-CZ 3.66Å; D123-R203 VanDerWaalsContact OD1-CZ 3.24Å; D123-R203 IonicContact OD1-NE 2.99Å; D123-R203 IonicContact OD1-NH1 3.46Å; D123-R203 PolarHBondContact OD1-NH1 2.84Å; D123-R203 IonicContact OD1-NH2 2.8Å; D123-R203 IonicContact OD2-NH1 3.66Å; D123-R203 PolarHBondContact OD2-NH1 2.69Å; L125-R203 HydrophobicContact CB-CG 4.06Å; L125-R203 HydrophobicContact CD1-CG 4.05Å; T126-R203 HydrophobicContact CG2-CB 4.06Å; I198-R203 HydrophobicContact CD1-CB 3.96Å; T199-R203 PolarHBondContact O-N 3.21Å; T200-R203 WeakPolarHBondContact O-CB 3.3Å; T200-R203 PolarHBondContact O-N 3.42Å; A201-R203 VanDerWaalsContact C-N 3.3Å; A201-R203 PolarHBondContact O-N 3.32Å; R203-Q205 VanDerWaalsContact C-N 3.29Å; R203-Q205 PolarHBondContact O-N 3.07Å; R203-V206 PolarHBondContact O-N 3.37Å; R203-N207 PolarHBondContact O-N 2.99Å |
| 204 | K | 98.5 | Very high | 98 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 178 | -68.5 | -63.6 | -166.6 | 179.3 | 0 | 111.7 | T200 A201 G208 D232 M233 | T200-K204 WeakPolarHBondContact O-CG 3.47Å; T200-K204 PolarHBondContact O-N 2.9Å; T200-K204 VanDerWaalsContact O-N 3.08Å; A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 3.47Å; A201-K204 VanDerWaalsContact O-N 3.08Å; K204-G208 PolarHBondContact O-N 2.76Å; K204-D232 WeakPolarHBondContact CB-O 3.41Å; K204-D232 HydrophobicContact CG-CB 4.21Å; K204-D232 WeakPolarHBondContact CG-O 3.46Å; K204-M233 HydrophobicContact CB-CG 3.91Å |
| 205 | Q | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -53 | 171.5 | -63.7 | 161.2 | 9.3 | 0 | 0 | 110.9 | F176 T178 A201 M202 R203 N207 G208 W209 M233 T244 | F176-Q205 HydrophobicContact CD1-CB 4.05Å; F176-Q205 HydrophobicContact CE1-CB 3.84Å; F176-Q205 VanDerWaalsContact CZ-C 3.43Å; F176-Q205 HydrophobicContact CZ-CB 4.3Å; F176-Q205 WeakPolarHBondContact CZ-O 3.35Å; T178-Q205 PolarHBondContact OG1-OE1 3.18Å; A201-Q205 WeakPolarHBondContact O-CG 3.41Å; A201-Q205 PolarHBondContact O-N 2.88Å; M202-Q205 WeakPolarHBondContact O-CB 3.15Å; M202-Q205 PolarHBondContact O-N 2.66Å; R203-Q205 VanDerWaalsContact C-N 3.29Å; R203-Q205 PolarHBondContact O-N 3.07Å; Q205-N207 PolarHBondContact O-N 2.73Å; Q205-G208 CarbonylContact O-C 3.39Å; Q205-G208 VanDerWaalsContact O-C 3.29Å; Q205-G208 WeakPolarHBondContact O-CA 3.26Å; Q205-G208 PolarHBondContact O-N 3.28Å; Q205-W209 PolarHBondContact O-N 3.3Å; Q205-W209 VanDerWaalsContact O-N 3.09Å; Q205-M233 HydrophobicContact CG-CB 3.86Å; Q205-M233 HydrophobicContact CG-CG 4.33Å; Q205-M233 PolarHBondContact NE2-O 3.11Å; Q205-T244 HydrophobicContact CB-CG2 4.5Å; Q205-T244 HydrophobicContact CG-CG2 3.82Å |
| 206 | V | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | Y115 L125 E172 F176 V179 M202 R203 G208 | Y115-V206 HydrophobicContact CD2-CG1 4.4Å; Y115-V206 HydrophobicContact CE2-CG1 3.62Å; L125-V206 HydrophobicContact CD1-CB 4.4Å; L125-V206 HydrophobicContact CD1-CG1 3.84Å; E172-V206 HydrophobicContact CB-CG2 4.02Å; E172-V206 HydrophobicContact CG-CG1 3.92Å; E172-V206 HydrophobicContact CG-CG2 4.03Å; F176-V206 HydrophobicContact CD2-CG2 4.15Å; F176-V206 HydrophobicContact CE2-CB 4.46Å; F176-V206 HydrophobicContact CE2-CG2 4.12Å; V179-V206 HydrophobicContact CG2-CG2 4.13Å; M202-V206 WeakPolarHBondContact O-CG2 3.5Å; M202-V206 PolarHBondContact O-N 3.22Å; R203-V206 PolarHBondContact O-N 3.37Å; V206-G208 PolarHBondContact O-N 3.22Å |
| 207 | N | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.1 | -16.6 | 177.9 | -71.4 | -14.7 | 0 | 0 | 0 | 113.4 | T122 R203 Q205 | T122-N207 WeakPolarHBondContact CB-ND2 3.26Å; T122-N207 PolarHBondContact OG1-ND2 3.26Å; R203-N207 PolarHBondContact O-N 2.99Å; Q205-N207 PolarHBondContact O-N 2.73Å |
| 208 | G | 98.2 | Very high | 98.4 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 21.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K204 Q205 V206 Q210 V211 L212 | K204-G208 PolarHBondContact O-N 2.76Å; Q205-G208 CarbonylContact O-C 3.39Å; Q205-G208 VanDerWaalsContact O-C 3.29Å; Q205-G208 WeakPolarHBondContact O-CA 3.26Å; Q205-G208 PolarHBondContact O-N 3.28Å; V206-G208 PolarHBondContact O-N 3.22Å; G208-Q210 VanDerWaalsContact C-N 3.31Å; G208-Q210 PolarHBondContact O-N 3.36Å; G208-V211 WeakPolarHBondContact O-CA 3.39Å; G208-V211 WeakPolarHBondContact O-CB 3.02Å; G208-V211 PolarHBondContact O-N 3.25Å; G208-L212 PolarHBondContact O-N 3.22Å |
| 209 | W | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.5 | -45.4 | -174.8 | -176.9 | 39.2 | 0 | 0 | 0 | 113.7 | L43 N76 L77 R175 F176 Q205 S213 I247 L249 | L43-W209 HydrophobicContact CD1-CH2 3.46Å; L43-W209 VanDerWaalsContact CD1-CH2 3.46Å; L43-W209 HydrophobicContact CD1-CZ2 3.75Å; N76-W209 WeakPolarHBondContact O-CZ3 3.3Å; L77-W209 HydrophobicContact CD1-CH2 4.19Å; L77-W209 HydrophobicContact CD1-CZ2 4.34Å; L77-W209 HydrophobicContact CG-CH2 4.37Å; R175-W209 HydrophobicContact CB-CD2 4.34Å; R175-W209 HydrophobicContact CB-CG 4.44Å; R175-W209 HydrophobicContact CG-CD2 3.86Å; R175-W209 HydrophobicContact CG-CE3 4.16Å; R175-W209 HydrophobicContact CG-CG 4.43Å; R175-W209 HydrophobicContact CG-CH2 4.04Å; R175-W209 HydrophobicContact CG-CZ2 3.75Å; R175-W209 HydrophobicContact CG-CZ3 4.25Å; R175-W209 VanDerWaalsContact NE-CZ3 3.29Å; F176-W209 HydrophobicContact CE2-CB 4.14Å; F176-W209 HydrophobicContact CE2-CG 4.3Å; F176-W209 HydrophobicContact CZ-CB 3.56Å; F176-W209 AromaticContact CZ-CD1 3.66Å; F176-W209 AromaticContact CZ-CG 3.84Å; F176-W209 HydrophobicContact CZ-CG 3.84Å; Q205-W209 PolarHBondContact O-N 3.3Å; Q205-W209 VanDerWaalsContact O-N 3.09Å; W209-S213 VanDerWaalsContact O-CB 3.3Å; W209-S213 WeakPolarHBondContact O-CB 3.39Å; W209-S213 PolarHBondContact O-N 3.2Å; W209-S213 PolarHBondContact O-OG 2.73Å; W209-I247 PolarHBondContact NE1-O 3.28Å; W209-L249 HydrophobicContact CD2-CB 3.97Å; W209-L249 HydrophobicContact CE3-CB 4.05Å; W209-L249 HydrophobicContact CE3-CD2 4.26Å; W209-L249 HydrophobicContact CH2-CB 3.78Å; W209-L249 HydrophobicContact CH2-CD1 3.86Å; W209-L249 HydrophobicContact CH2-CG 4.33Å; W209-L249 HydrophobicContact CZ2-CB 3.67Å; W209-L249 HydrophobicContact CZ3-CB 3.96Å; W209-L249 HydrophobicContact CZ3-CD1 3.9Å; W209-L249 HydrophobicContact CZ3-CD2 4.26Å; W209-L249 HydrophobicContact CZ3-CG 4.25Å |
| 210 | Q | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 32.7 Ų | 32.7 | 56% | 0.561 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65 | -41.7 | 176.8 | -178.2 | 174.3 | -31.5 | 0 | 0 | 111.6 | G208 S213 A214 L249 V251 | G208-Q210 VanDerWaalsContact C-N 3.31Å; G208-Q210 PolarHBondContact O-N 3.36Å; Q210-S213 PolarHBondContact O-N 3.29Å; Q210-A214 VanDerWaalsContact O-CB 3.28Å; Q210-A214 WeakPolarHBondContact O-CB 3.45Å; Q210-A214 PolarHBondContact O-N 3.31Å; Q210-L249 HydrophobicContact CB-CD2 3.89Å; Q210-L249 HydrophobicContact CG-CD2 4.03Å; Q210-V251 HydrophobicContact CG-CG2 3.84Å |
| 211 | V | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 29 Ų | 29 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | G208 S213 A214 A215 L230 M233 | G208-V211 WeakPolarHBondContact O-CA 3.39Å; G208-V211 WeakPolarHBondContact O-CB 3.02Å; G208-V211 PolarHBondContact O-N 3.25Å; V211-S213 PolarHBondContact O-N 2.86Å; V211-A214 PolarHBondContact O-N 2.89Å; V211-A215 WeakPolarHBondContact O-CB 3.09Å; V211-A215 PolarHBondContact O-N 3.27Å; V211-L230 HydrophobicContact CG1-CD1 4.44Å; V211-L230 HydrophobicContact CG1-CD2 4.16Å; V211-M233 HydrophobicContact CB-CE 4.49Å; V211-M233 HydrophobicContact CG1-CE 4.41Å |
| 212 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 179.1 | -173.1 | 60 | 0 | 0 | 0 | 111.7 | F176 G208 A215 M216 F227 L230 M233 V235 A241 T244 V245 | F176-L212 HydrophobicContact CE1-CD2 4.19Å; G208-L212 PolarHBondContact O-N 3.22Å; L212-A215 PolarHBondContact O-N 2.93Å; L212-M216 WeakPolarHBondContact O-CG 3.47Å; L212-M216 PolarHBondContact O-N 3.44Å; L212-M216 VanDerWaalsContact O-N 3.1Å; L212-F227 HydrophobicContact CD1-CZ 4.49Å; L212-L230 HydrophobicContact CB-CD1 4.44Å; L212-L230 HydrophobicContact CD1-CD1 3.6Å; L212-M233 HydrophobicContact CB-SD 4.22Å; L212-M233 HydrophobicContact CD1-SD 4.45Å; L212-M233 HydrophobicContact CD2-SD 4.44Å; L212-V235 HydrophobicContact CD1-CG1 4.19Å; L212-A241 HydrophobicContact CD1-CB 3.86Å; L212-T244 HydrophobicContact CD2-CG2 3.81Å; L212-V245 HydrophobicContact CD2-CG2 3.43Å; L212-V245 VanDerWaalsContact CD2-CG2 3.43Å; L212-V245 HydrophobicContact CG-CG2 3.69Å |
| 213 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | W209 Q210 V211 M216 L217 L249 | W209-S213 VanDerWaalsContact O-CB 3.3Å; W209-S213 WeakPolarHBondContact O-CB 3.39Å; W209-S213 PolarHBondContact O-N 3.2Å; W209-S213 PolarHBondContact O-OG 2.73Å; Q210-S213 PolarHBondContact O-N 3.29Å; V211-S213 PolarHBondContact O-N 2.86Å; S213-M216 PolarHBondContact O-N 2.76Å; S213-L217 WeakPolarHBondContact O-CB 3.44Å; S213-L217 VanDerWaalsContact O-CG 3.26Å; S213-L217 WeakPolarHBondContact O-CG 3.31Å; S213-L217 PolarHBondContact O-N 3.07Å; S213-L249 WeakPolarHBondContact CB-O 3.25Å; S213-L249 PolarHBondContact OG-N 2.91Å; S213-L249 VanDerWaalsContact OG-N 3.07Å |
| 214 | A | 98.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q210 V211 M216 L217 G218 V251 V253 | Q210-A214 VanDerWaalsContact O-CB 3.28Å; Q210-A214 WeakPolarHBondContact O-CB 3.45Å; Q210-A214 PolarHBondContact O-N 3.31Å; V211-A214 PolarHBondContact O-N 2.89Å; A214-M216 VanDerWaalsContact C-N 3.33Å; A214-M216 PolarHBondContact O-N 2.93Å; A214-L217 PolarHBondContact O-N 2.55Å; A214-G218 PolarHBondContact O-N 3.21Å; A214-V251 HydrophobicContact CB-CB 4.16Å; A214-V251 HydrophobicContact CB-CG1 3.91Å; A214-V251 HydrophobicContact CB-CG2 4.24Å; A214-V253 HydrophobicContact CB-CG1 4.17Å |
| 215 | A | 98.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V211 L212 T219 F227 L230 | V211-A215 WeakPolarHBondContact O-CB 3.09Å; V211-A215 PolarHBondContact O-N 3.27Å; L212-A215 PolarHBondContact O-N 2.93Å; A215-T219 WeakPolarHBondContact O-CG2 3.07Å; A215-F227 HydrophobicContact CB-CD2 4.37Å; A215-F227 HydrophobicContact CB-CE2 3.8Å; A215-F227 HydrophobicContact CB-CZ 4.44Å; A215-L230 HydrophobicContact CB-CD1 4.21Å |
| 216 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -51.1 | 174.5 | -72.5 | -176.9 | 67.9 | 0 | 0 | 112.2 | R38 R40 L212 S213 A214 G218 T219 F227 A241 A242 V245 L248 | R38-M216 HydrophobicContact CB-CE 4.27Å; R38-M216 HydrophobicContact CG-CE 4.43Å; R40-M216 HydrophobicContact CG-CE 4.28Å; L212-M216 WeakPolarHBondContact O-CG 3.47Å; L212-M216 PolarHBondContact O-N 3.44Å; L212-M216 VanDerWaalsContact O-N 3.1Å; S213-M216 PolarHBondContact O-N 2.76Å; A214-M216 VanDerWaalsContact C-N 3.33Å; A214-M216 PolarHBondContact O-N 2.93Å; M216-G218 PolarHBondContact O-N 2.9Å; M216-T219 WeakPolarHBondContact O-CB 3.28Å; M216-T219 PolarHBondContact O-N 3.27Å; M216-T219 PolarHBondContact O-OG1 3Å; M216-F227 HydrophobicContact CG-CE2 4.41Å; M216-A241 HydrophobicContact CG-CB 3.54Å; M216-A241 HydrophobicContact SD-CB 3.72Å; M216-A242 HydrophobicContact CE-CB 3.8Å; M216-V245 HydrophobicContact SD-CB 4.14Å; M216-V245 HydrophobicContact SD-CG2 3.81Å; M216-L248 HydrophobicContact CB-CD2 3.81Å; M216-L248 HydrophobicContact CE-CD1 4.25Å; M216-L248 HydrophobicContact CE-CD2 4.3Å; M216-L248 HydrophobicContact SD-CD1 4.46Å; M216-L248 HydrophobicContact SD-CD2 4.15Å; M216-L248 HydrophobicContact SD-CG 4.39Å |
| 217 | L | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -34.1 | -179.1 | -70.4 | 170.4 | 0 | 0 | 0 | 112.1 | V42 S213 A214 T219 D220 A221 L248 V251 V253 | V42-L217 HydrophobicContact CG1-CD2 4.48Å; V42-L217 HydrophobicContact CG2-CD2 4.14Å; S213-L217 WeakPolarHBondContact O-CB 3.44Å; S213-L217 VanDerWaalsContact O-CG 3.26Å; S213-L217 WeakPolarHBondContact O-CG 3.31Å; S213-L217 PolarHBondContact O-N 3.07Å; A214-L217 PolarHBondContact O-N 2.55Å; L217-T219 PolarHBondContact O-N 2.99Å; L217-D220 PolarHBondContact O-N 2.83Å; L217-D220 VanDerWaalsContact O-N 3.1Å; L217-A221 PolarHBondContact O-N 3.2Å; L217-L248 HydrophobicContact CD2-CD2 4.11Å; L217-L248 HydrophobicContact CG-CD2 3.94Å; L217-V251 HydrophobicContact CD1-CB 4.11Å; L217-V253 HydrophobicContact CB-CG1 4.21Å; L217-V253 HydrophobicContact CB-CG2 4.17Å |
| 218 | G | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -30.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A214 M216 D220 A221 A225 | A214-G218 PolarHBondContact O-N 3.21Å; M216-G218 PolarHBondContact O-N 2.9Å; G218-D220 PolarHBondContact O-N 2.95Å; G218-A221 WeakPolarHBondContact O-CB 3.46Å; G218-A221 PolarHBondContact O-N 3.34Å; G218-A225 WeakPolarHBondContact O-CB 3.29Å; G218-A225 PolarHBondContact O-N 2.9Å |
| 219 | T | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.3 | 177.1 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | R38 A215 M216 L217 P224 F227 V238 | R38-T219 PolarHBondContact NH2-O 2.96Å; R38-T219 PolarHBondContact NH2-OG1 3.32Å; A215-T219 WeakPolarHBondContact O-CG2 3.07Å; M216-T219 WeakPolarHBondContact O-CB 3.28Å; M216-T219 PolarHBondContact O-N 3.27Å; M216-T219 PolarHBondContact O-OG1 3Å; L217-T219 PolarHBondContact O-N 2.99Å; T219-P224 VanDerWaalsContact O-CB 3.28Å; T219-P224 WeakPolarHBondContact O-CB 3.06Å; T219-F227 HydrophobicContact CG2-CB 3.89Å; T219-F227 HydrophobicContact CG2-CD2 3.94Å; T219-F227 HydrophobicContact CG2-CG 4.43Å; T219-V238 HydrophobicContact CG2-CB 4.36Å; T219-V238 HydrophobicContact CG2-CG2 3.94Å |
| 220 | D | 97.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -3.7 | 178.4 | -59 | -26.5 | 0 | 0 | 0 | 111.9 | S37 R38 L217 G218 | S37-D220 WeakPolarHBondContact CA-OD2 3.41Å; S37-D220 WeakPolarHBondContact CB-OD2 3.5Å; S37-D220 PolarHBondContact OG-OD2 3.24Å; R38-D220 IonicContact CZ-OD1 3.35Å; R38-D220 IonicContact NE-OD1 3.67Å; R38-D220 PolarHBondContact NE-OD1 3.08Å; R38-D220 IonicContact NH2-OD1 2.98Å; R38-D220 PolarHBondContact NH2-OD1 3.38Å; L217-D220 PolarHBondContact O-N 2.83Å; L217-D220 VanDerWaalsContact O-N 3.1Å; G218-D220 PolarHBondContact O-N 2.95Å |
| 221 | A | 96.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -66.7 | 170.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L217 G218 P223 P224 P254 | L217-A221 PolarHBondContact O-N 3.2Å; G218-A221 WeakPolarHBondContact O-CB 3.46Å; G218-A221 PolarHBondContact O-N 3.34Å; A221-P223 CarbonylContact C-O 3.47Å; A221-P223 CarbonylContact O-C 3.19Å; A221-P224 WeakPolarHBondContact O-CA 3.37Å; A221-P254 WeakPolarHBondContact CB-O 3.48Å |
| 222 | R | 94.4 | Very high | 97.2 | Very high | 220 Ų | 220 | 65.1 Ų | 65.1 | 83% | 0.83 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -122.8 | 113.4 | 175.4 | -65 | -173.6 | -178.1 | -169.8 | 0.2 | 111.2 | G255 | R222-G255 PolarHBondContact N-O 3Š|
| 223 | P | 95.5 | Very high | 97.2 | Very high | 118 Ų | 118 | 65.5 Ų | 65.5 | 77% | 0.766 | 34% | 0.342 | S | S | * | . | S | Bend | cis | -65.8 | 153.8 | -8.5 | 30.6 | -35.6 | 0 | 0 | 0 | 112 | A221 | A221-P223 CarbonylContact C-O 3.47Å; A221-P223 CarbonylContact O-C 3.19Å |
| 224 | P | 95.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 60% | 0.597 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 133.6 | -178.7 | 27.5 | -34 | 0 | 0 | 0 | 111.1 | T219 A221 | T219-P224 VanDerWaalsContact O-CB 3.28Å; T219-P224 WeakPolarHBondContact O-CB 3.06Å; A221-P224 WeakPolarHBondContact O-CA 3.37Å |
| 225 | A | 95.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 150 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G218 | G218-A225 WeakPolarHBondContact O-CB 3.29Å; G218-A225 PolarHBondContact O-N 2.9Å |
| 226 | R | 96.2 | Very high | 97.2 | Very high | 243 Ų | 243 | 68.8 Ų | 68.8 | 92% | 0.917 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 137 | 166.2 | -69.9 | -174.9 | 180 | -173.2 | 0.2 | 109.1 | A228 | R226-A228 PolarHBondContact O-N 3.38Š|
| 227 | F | 97.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 124.7 | 173.3 | -168.8 | -93.8 | 0 | 0 | 0 | 109.9 | L212 A215 M216 T219 L230 V235 T237 V238 A241 | L212-F227 HydrophobicContact CD1-CZ 4.49Å; A215-F227 HydrophobicContact CB-CD2 4.37Å; A215-F227 HydrophobicContact CB-CE2 3.8Å; A215-F227 HydrophobicContact CB-CZ 4.44Å; M216-F227 HydrophobicContact CG-CE2 4.41Å; T219-F227 HydrophobicContact CG2-CB 3.89Å; T219-F227 HydrophobicContact CG2-CD2 3.94Å; T219-F227 HydrophobicContact CG2-CG 4.43Å; F227-L230 HydrophobicContact CZ-CD1 4.47Å; F227-V235 HydrophobicContact CE1-CG1 3.99Å; F227-V235 HydrophobicContact CZ-CG1 3.8Å; F227-T237 WeakPolarHBondContact CE1-O 3.36Å; F227-V238 HydrophobicContact CB-CB 4.1Å; F227-V238 HydrophobicContact CD2-CB 3.81Å; F227-V238 HydrophobicContact CD2-CG2 4.02Å; F227-V238 HydrophobicContact CE2-CB 4.45Å; F227-V238 HydrophobicContact CG-CB 3.94Å; F227-A241 HydrophobicContact CE2-CB 3.81Å; F227-A241 HydrophobicContact CZ-CB 3.73Å |
| 228 | A | 97 | Very high | 97.1 | Very high | 66 Ų | 66 | 71.7 Ų | 71.7 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 126.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R226 L230 | R226-A228 PolarHBondContact O-N 3.38Å; A228-L230 PolarHBondContact O-N 3.35Å |
| 229 | P | 97.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 132.4 | 178.2 | -29.5 | 36.4 | 0 | 0 | 0 | 113.4 | R231 | P229-R231 HydrophobicContact CB-CG 4.11Š|
| 230 | L | 98.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 80.2 Ų | 80.2 | 16% | 0.162 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -107.5 | 69.4 | 173.3 | -64.4 | 169.4 | 0 | 0 | 0 | 108.5 | V211 L212 A215 F227 A228 D232 M233 G234 V235 | V211-L230 HydrophobicContact CG1-CD1 4.44Å; V211-L230 HydrophobicContact CG1-CD2 4.16Å; L212-L230 HydrophobicContact CB-CD1 4.44Å; L212-L230 HydrophobicContact CD1-CD1 3.6Å; A215-L230 HydrophobicContact CB-CD1 4.21Å; F227-L230 HydrophobicContact CZ-CD1 4.47Å; A228-L230 PolarHBondContact O-N 3.35Å; L230-D232 VanDerWaalsContact C-N 3.27Å; L230-D232 PolarHBondContact O-N 3.1Å; L230-M233 HydrophobicContact CB-CB 4.27Å; L230-M233 HydrophobicContact CB-CG 4.21Å; L230-M233 HydrophobicContact CB-SD 4.13Å; L230-M233 HydrophobicContact CD1-CE 4.39Å; L230-M233 HydrophobicContact CD1-SD 4Å; L230-M233 WeakPolarHBondContact O-CA 3.49Å; L230-M233 WeakPolarHBondContact O-CB 3.3Å; L230-M233 PolarHBondContact O-N 3.36Å; L230-G234 PolarHBondContact O-N 3.31Å; L230-V235 CarbonylContact C-O 3.56Å; L230-V235 WeakPolarHBondContact CA-O 3.46Å; L230-V235 HydrophobicContact CB-CB 4.49Å; L230-V235 PolarHBondContact N-O 3.35Å; L230-V235 PolarHBondContact O-N 2.93Å |
| 231 | R | 97.4 | Very high | 97.2 | Very high | 197 Ų | 197 | 77.1 Ų | 77.1 | 74% | 0.743 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -60.1 | -33.2 | -168.6 | -67.6 | -174.2 | 176.8 | -160 | 0.9 | 114.1 | P229 M233 G234 D236 | P229-R231 HydrophobicContact CB-CG 4.11Å; R231-M233 PolarHBondContact O-N 3.26Å; R231-G234 PolarHBondContact O-N 2.88Å; R231-D236 WeakPolarHBondContact CG-OD1 3.34Å; R231-D236 IonicContact NE-OD1 3.87Å |
| 232 | D | 96.8 | Very high | 97.3 | Very high | 86 Ų | 86 | 77.4 Ų | 77.4 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -68.9 | -22.7 | 177.1 | 67.2 | -33.5 | 0 | 0 | 0 | 112.8 | K204 L230 | K204-D232 WeakPolarHBondContact CB-O 3.41Å; K204-D232 HydrophobicContact CG-CB 4.21Å; K204-D232 WeakPolarHBondContact CG-O 3.46Å; L230-D232 VanDerWaalsContact C-N 3.27Å; L230-D232 PolarHBondContact O-N 3.1Å |
| 233 | M | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.044 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -86 | -6.7 | 170.3 | -56.7 | -172.4 | -168.9 | 0 | 0 | 113.1 | K204 Q205 V211 L212 L230 R231 V235 | K204-M233 HydrophobicContact CB-CG 3.91Å; Q205-M233 HydrophobicContact CG-CB 3.86Å; Q205-M233 HydrophobicContact CG-CG 4.33Å; Q205-M233 PolarHBondContact NE2-O 3.11Å; V211-M233 HydrophobicContact CB-CE 4.49Å; V211-M233 HydrophobicContact CG1-CE 4.41Å; L212-M233 HydrophobicContact CB-SD 4.22Å; L212-M233 HydrophobicContact CD1-SD 4.45Å; L212-M233 HydrophobicContact CD2-SD 4.44Å; L230-M233 HydrophobicContact CB-CB 4.27Å; L230-M233 HydrophobicContact CB-CG 4.21Å; L230-M233 HydrophobicContact CB-SD 4.13Å; L230-M233 HydrophobicContact CD1-CE 4.39Å; L230-M233 HydrophobicContact CD1-SD 4Å; L230-M233 WeakPolarHBondContact O-CA 3.49Å; L230-M233 WeakPolarHBondContact O-CB 3.3Å; L230-M233 PolarHBondContact O-N 3.36Å; R231-M233 PolarHBondContact O-N 3.26Å; M233-V235 HydrophobicContact CB-CB 4.47Å; M233-V235 HydrophobicContact CB-CG2 4.13Å |
| 234 | G | 97.8 | Very high | 97.6 | Very high | 48 Ų | 48 | 64 Ų | 64 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 37.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L230 R231 | L230-G234 PolarHBondContact O-N 3.31Å; R231-G234 PolarHBondContact O-N 2.88Å |
| 235 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 105.4 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | L212 F227 L230 M233 T237 E240 A241 T244 | L212-V235 HydrophobicContact CD1-CG1 4.19Å; F227-V235 HydrophobicContact CE1-CG1 3.99Å; F227-V235 HydrophobicContact CZ-CG1 3.8Å; L230-V235 CarbonylContact C-O 3.56Å; L230-V235 WeakPolarHBondContact CA-O 3.46Å; L230-V235 HydrophobicContact CB-CB 4.49Å; L230-V235 PolarHBondContact N-O 3.35Å; L230-V235 PolarHBondContact O-N 2.93Å; M233-V235 HydrophobicContact CB-CB 4.47Å; M233-V235 HydrophobicContact CB-CG2 4.13Å; V235-T237 WeakPolarHBondContact CG1-O 3.49Å; V235-E240 HydrophobicContact CG1-CB 4.11Å; V235-A241 HydrophobicContact CG1-CB 3.71Å; V235-T244 HydrophobicContact CG2-CG2 4.35Å |
| 236 | D | 97.7 | Very high | 98 | Very high | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | trans | -98.7 | -25.4 | -179.7 | -72 | -56.3 | 0 | 0 | 0 | 112.6 | R231 E240 | R231-D236 WeakPolarHBondContact CG-OD1 3.34Å; R231-D236 IonicContact NE-OD1 3.87Å; D236-E240 WeakPolarHBondContact CA-OE2 3.42Å; D236-E240 WeakPolarHBondContact CB-OE2 3.48Å; D236-E240 PolarHBondContact N-OE2 2.87Å | ||
| 237 | T | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -124.4 | 162.6 | -175.7 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | F227 V235 E239 E240 A241 | F227-T237 WeakPolarHBondContact CE1-O 3.36Å; V235-T237 WeakPolarHBondContact CG1-O 3.49Å; T237-E239 VanDerWaalsContact C-N 3.27Å; T237-E239 PolarHBondContact O-N 3.1Å; T237-E240 PolarHBondContact N-OE2 3.26Å; T237-E240 PolarHBondContact O-N 2.92Å; T237-E240 WeakPolarHBondContact OG1-CB 3.45Å; T237-E240 VanDerWaalsContact OG1-CG 3.23Å; T237-E240 WeakPolarHBondContact OG1-CG 3.39Å; T237-E240 PolarHBondContact OG1-N 3.5Å; T237-E240 VanDerWaalsContact OG1-N 3.14Å; T237-E240 PolarHBondContact OG1-OE2 2.99Å; T237-A241 PolarHBondContact O-N 2.92Å |
| 238 | V | 97.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.2 | -28.9 | 175.3 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | R38 T219 F227 A241 A242 | R38-V238 HydrophobicContact CG-CG2 4.1Å; T219-V238 HydrophobicContact CG2-CB 4.36Å; T219-V238 HydrophobicContact CG2-CG2 3.94Å; F227-V238 HydrophobicContact CB-CB 4.1Å; F227-V238 HydrophobicContact CD2-CB 3.81Å; F227-V238 HydrophobicContact CD2-CG2 4.02Å; F227-V238 HydrophobicContact CE2-CB 4.45Å; F227-V238 HydrophobicContact CG-CB 3.94Å; V238-A241 WeakPolarHBondContact O-CB 3.26Å; V238-A241 PolarHBondContact O-N 3.35Å; V238-A242 WeakPolarHBondContact O-CB 3.5Å; V238-A242 PolarHBondContact O-N 3.44Å |
| 239 | E | 98.1 | Very high | 98.2 | Very high | 120 Ų | 120 | 41.7 Ų | 41.7 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.5 | -44 | 173.7 | -68.5 | 68.4 | -151.4 | 0 | 0 | 111.1 | T237 A241 A242 A243 | T237-E239 VanDerWaalsContact C-N 3.27Å; T237-E239 PolarHBondContact O-N 3.1Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A242 PolarHBondContact O-N 3.46Å; E239-A243 PolarHBondContact O-N 3.09Å |
| 240 | E | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 172.8 | -73.8 | 165.2 | 163.1 | 0 | 0 | 111.9 | V235 D236 T237 A242 A243 T244 | V235-E240 HydrophobicContact CG1-CB 4.11Å; D236-E240 WeakPolarHBondContact CA-OE2 3.42Å; D236-E240 WeakPolarHBondContact CB-OE2 3.48Å; D236-E240 PolarHBondContact N-OE2 2.87Å; T237-E240 PolarHBondContact N-OE2 3.26Å; T237-E240 PolarHBondContact O-N 2.92Å; T237-E240 WeakPolarHBondContact OG1-CB 3.45Å; T237-E240 VanDerWaalsContact OG1-CG 3.23Å; T237-E240 WeakPolarHBondContact OG1-CG 3.39Å; T237-E240 PolarHBondContact OG1-N 3.5Å; T237-E240 VanDerWaalsContact OG1-N 3.14Å; T237-E240 PolarHBondContact OG1-OE2 2.99Å; E240-A242 VanDerWaalsContact C-N 3.34Å; E240-A243 CarbonylContact O-C 3.39Å; E240-A243 PolarHBondContact O-N 3.44Å; E240-T244 VanDerWaalsContact O-CB 3.3Å; E240-T244 WeakPolarHBondContact O-CB 3.44Å; E240-T244 PolarHBondContact O-N 3.41Å; E240-T244 PolarHBondContact O-OG1 2.93Å |
| 241 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L212 M216 F227 V235 T237 V238 E239 A243 T244 V245 | L212-A241 HydrophobicContact CD1-CB 3.86Å; M216-A241 HydrophobicContact CG-CB 3.54Å; M216-A241 HydrophobicContact SD-CB 3.72Å; F227-A241 HydrophobicContact CE2-CB 3.81Å; F227-A241 HydrophobicContact CZ-CB 3.73Å; V235-A241 HydrophobicContact CG1-CB 3.71Å; T237-A241 PolarHBondContact O-N 2.92Å; V238-A241 WeakPolarHBondContact O-CB 3.26Å; V238-A241 PolarHBondContact O-N 3.35Å; E239-A241 VanDerWaalsContact C-N 3.32Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A241-A243 PolarHBondContact O-N 3.28Å; A241-T244 WeakPolarHBondContact O-CB 3.28Å; A241-T244 PolarHBondContact O-N 3.08Å; A241-V245 PolarHBondContact O-N 3.37Å |
| 242 | A | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R38 R40 M216 V238 E239 E240 T244 | R38-A242 HydrophobicContact CB-CB 3.92Å; R40-A242 VanDerWaalsContact CD-O 3.25Å; R40-A242 WeakPolarHBondContact CD-O 3.44Å; R40-A242 HydrophobicContact CG-CB 4.03Å; R40-A242 PolarHBondContact NE-O 2.93Å; M216-A242 HydrophobicContact CE-CB 3.8Å; V238-A242 WeakPolarHBondContact O-CB 3.5Å; V238-A242 PolarHBondContact O-N 3.44Å; E239-A242 PolarHBondContact O-N 3.46Å; E240-A242 VanDerWaalsContact C-N 3.34Å; A242-T244 VanDerWaalsContact C-N 3.26Å; A242-T244 PolarHBondContact O-N 3.39Å |
| 243 | A | 98.3 | Very high | 98.3 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 37% | 0.372 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -75 | -13.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q177 R181 E239 E240 A241 | Q177-A243 WeakPolarHBondContact CB-O 3.47Å; Q177-A243 PolarHBondContact OE1-O 3.1Å; R181-A243 PolarHBondContact NH1-O 3.03Å; R181-A243 VanDerWaalsContact NH1-O 3.12Å; E239-A243 PolarHBondContact O-N 3.09Å; E240-A243 CarbonylContact O-C 3.39Å; E240-A243 PolarHBondContact O-N 3.44Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A241-A243 PolarHBondContact O-N 3.28Å |
| 244 | T | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -95.1 | -44 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | F176 Q177 T178 Q205 L212 V235 E240 A241 A242 | F176-T244 CarbonylContact C-O 3.59Å; F176-T244 WeakPolarHBondContact CA-O 3.23Å; F176-T244 HydrophobicContact CD1-CG2 4.27Å; Q177-T244 PolarHBondContact N-O 2.94Å; T178-T244 HydrophobicContact CG2-CG2 4.09Å; Q205-T244 HydrophobicContact CB-CG2 4.5Å; Q205-T244 HydrophobicContact CG-CG2 3.82Å; L212-T244 HydrophobicContact CD2-CG2 3.81Å; V235-T244 HydrophobicContact CG2-CG2 4.35Å; E240-T244 VanDerWaalsContact O-CB 3.3Å; E240-T244 WeakPolarHBondContact O-CB 3.44Å; E240-T244 PolarHBondContact O-N 3.41Å; E240-T244 PolarHBondContact O-OG1 2.93Å; A241-T244 WeakPolarHBondContact O-CB 3.28Å; A241-T244 PolarHBondContact O-N 3.08Å; A242-T244 VanDerWaalsContact C-N 3.26Å; A242-T244 PolarHBondContact O-N 3.39Å |
| 245 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 126.8 | -174.2 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | R40 L212 M216 A241 I247 L248 | R40-V245 VanDerWaalsContact CZ-O 3.24Å; R40-V245 PolarHBondContact NE-O 2.77Å; R40-V245 PolarHBondContact NH2-O 3.33Å; L212-V245 HydrophobicContact CD2-CG2 3.43Å; L212-V245 VanDerWaalsContact CD2-CG2 3.43Å; L212-V245 HydrophobicContact CG-CG2 3.69Å; M216-V245 HydrophobicContact SD-CB 4.14Å; M216-V245 HydrophobicContact SD-CG2 3.81Å; A241-V245 PolarHBondContact O-N 3.37Å; V245-I247 VanDerWaalsContact CG1-O 3.26Å; V245-I247 WeakPolarHBondContact CG1-O 3.41Å; V245-L248 HydrophobicContact CG1-CD1 3.84Å; V245-L248 HydrophobicContact CG1-CG 3.93Å |
| 246 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -72.8 | -48.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R27 R40 R175 | R27-G246 WeakPolarHBondContact CD-O 3.37Å; R40-G246 PolarHBondContact NH2-O 3.49Å; R175-G246 VanDerWaalsContact O-CA 3.26Å; R175-G246 WeakPolarHBondContact O-CA 3.45Å; R175-G246 PolarHBondContact O-N 3.33Å |
| 247 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -155.2 | 139.1 | 173.5 | -177.1 | 168.4 | 0 | 0 | 0 | 107.9 | R27 V30 A31 P41 L43 L77 T174 R175 W209 V245 | R27-I247 HydrophobicContact CG-CB 4.4Å; R27-I247 HydrophobicContact CG-CG2 4.41Å; V30-I247 HydrophobicContact CG2-CD1 3.51Å; A31-I247 HydrophobicContact CB-CD1 4.39Å; P41-I247 HydrophobicContact CB-CD1 4.08Å; P41-I247 HydrophobicContact CB-CG1 3.95Å; P41-I247 HydrophobicContact CG-CB 3.97Å; P41-I247 HydrophobicContact CG-CD1 4.16Å; P41-I247 HydrophobicContact CG-CG1 3.82Å; P41-I247 WeakPolarHBondContact O-CA 3.08Å; P41-I247 WeakPolarHBondContact O-CG1 3.29Å; L43-I247 HydrophobicContact CD2-CD1 3.6Å; L43-I247 HydrophobicContact CD2-CG1 4.44Å; L43-I247 HydrophobicContact CG-CD1 3.76Å; L43-I247 HydrophobicContact CG-CG1 4.07Å; L77-I247 HydrophobicContact CD1-CG2 3.78Å; T174-I247 HydrophobicContact CG2-CG2 4.21Å; R175-I247 PolarHBondContact O-N 3.28Å; W209-I247 PolarHBondContact NE1-O 3.28Å; V245-I247 VanDerWaalsContact CG1-O 3.26Å; V245-I247 WeakPolarHBondContact CG1-O 3.41Å |
| 248 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 141.6 | -178.7 | -70.5 | 80.2 | 0 | 0 | 0 | 110.4 | R40 P41 V42 L43 M216 L217 V245 | R40-L248 HydrophobicContact CB-CD1 3.48Å; R40-L248 VanDerWaalsContact CB-CD1 3.48Å; R40-L248 HydrophobicContact CG-CD1 4.47Å; P41-L248 WeakPolarHBondContact O-CD1 2.94Å; P41-L248 PolarHBondContact O-N 3.44Å; V42-L248 HydrophobicContact CB-CB 4.36Å; V42-L248 HydrophobicContact CG1-CB 4.12Å; V42-L248 HydrophobicContact CG2-CB 4.13Å; V42-L248 HydrophobicContact CG2-CD2 4.45Å; L43-L248 PolarHBondContact N-O 3.24Å; M216-L248 HydrophobicContact CB-CD2 3.81Å; M216-L248 HydrophobicContact CE-CD1 4.25Å; M216-L248 HydrophobicContact CE-CD2 4.3Å; M216-L248 HydrophobicContact SD-CD1 4.46Å; M216-L248 HydrophobicContact SD-CD2 4.15Å; M216-L248 HydrophobicContact SD-CG 4.39Å; L217-L248 HydrophobicContact CD2-CD2 4.11Å; L217-L248 HydrophobicContact CG-CD2 3.94Å; V245-L248 HydrophobicContact CG1-CD1 3.84Å; V245-L248 HydrophobicContact CG1-CG 3.93Å |
| 249 | L | 98.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -69 | 138.2 | 159.5 | -178.3 | 62 | 0 | 0 | 0 | 108.1 | L43 N76 W209 Q210 S213 V251 | L43-L249 HydrophobicContact CD1-CD1 4.47Å; N76-L249 HydrophobicContact CB-CD1 4.18Å; W209-L249 HydrophobicContact CD2-CB 3.97Å; W209-L249 HydrophobicContact CE3-CB 4.05Å; W209-L249 HydrophobicContact CE3-CD2 4.26Å; W209-L249 HydrophobicContact CH2-CB 3.78Å; W209-L249 HydrophobicContact CH2-CD1 3.86Å; W209-L249 HydrophobicContact CH2-CG 4.33Å; W209-L249 HydrophobicContact CZ2-CB 3.67Å; W209-L249 HydrophobicContact CZ3-CB 3.96Å; W209-L249 HydrophobicContact CZ3-CD1 3.9Å; W209-L249 HydrophobicContact CZ3-CD2 4.26Å; W209-L249 HydrophobicContact CZ3-CG 4.25Å; Q210-L249 HydrophobicContact CB-CD2 3.89Å; Q210-L249 HydrophobicContact CG-CD2 4.03Å; S213-L249 WeakPolarHBondContact CB-O 3.25Å; S213-L249 PolarHBondContact OG-N 2.91Å; S213-L249 VanDerWaalsContact OG-N 3.07Å; L249-V251 HydrophobicContact CG-CG2 4.49Å; L249-V251 PolarHBondContact O-N 2.98Å |
| 250 | F | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 127.8 | 169.6 | -179.4 | -94 | 0 | 0 | 0 | 110.2 | H35 V42 L43 P45 E252 M257 A259 A262 | H35-F250 AromaticContact CE1-CD2 3.99Å; H35-F250 AromaticContact CE1-CE2 3.95Å; H35-F250 AromaticContact ND1-CD2 3.95Å; V42-F250 HydrophobicContact CG1-CB 4.34Å; V42-F250 HydrophobicContact CG1-CD2 4.4Å; L43-F250 WeakPolarHBondContact O-CB 3.47Å; P45-F250 HydrophobicContact CB-CD1 3.64Å; P45-F250 HydrophobicContact CB-CE1 3.92Å; P45-F250 HydrophobicContact CB-CG 4.1Å; P45-F250 HydrophobicContact CG-CB 4.5Å; P45-F250 HydrophobicContact CG-CD1 3.58Å; P45-F250 HydrophobicContact CG-CD2 3.92Å; P45-F250 HydrophobicContact CG-CE1 3.65Å; P45-F250 HydrophobicContact CG-CE2 3.99Å; P45-F250 HydrophobicContact CG-CG 3.71Å; P45-F250 HydrophobicContact CG-CZ 3.86Å; F250-E252 HydrophobicContact CE1-CG 3.6Å; F250-E252 HydrophobicContact CZ-CG 3.94Å; F250-M257 WeakPolarHBondContact CZ-O 3.47Å; F250-A259 HydrophobicContact CE1-CB 3.88Å; F250-A259 HydrophobicContact CZ-CB 4.39Å; F250-A262 HydrophobicContact CD2-CB 4.15Å; F250-A262 HydrophobicContact CE2-CB 3.49Å; F250-A262 VanDerWaalsContact CE2-CB 3.49Å; F250-A262 HydrophobicContact CZ-CB 3.89Å |
| 251 | V | 98.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | trans | -134.4 | 128.7 | 174 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | Q210 A214 L217 L249 V253 | Q210-V251 HydrophobicContact CG-CG2 3.84Å; A214-V251 HydrophobicContact CB-CB 4.16Å; A214-V251 HydrophobicContact CB-CG1 3.91Å; A214-V251 HydrophobicContact CB-CG2 4.24Å; L217-V251 HydrophobicContact CD1-CB 4.11Å; L249-V251 HydrophobicContact CG-CG2 4.49Å; L249-V251 PolarHBondContact O-N 2.98Å; V251-V253 HydrophobicContact CG1-CG1 4.31Å; V251-V253 PolarHBondContact O-N 3.36Å | ||
| 252 | E | 97.8 | Very high | 97.6 | Very high | 118 Ų | 118 | 38.8 Ų | 38.8 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | trans | -71.3 | 114.5 | 168 | -65.5 | -169.3 | 116.3 | 0 | 0 | 108.7 | F250 T258 A259 | F250-E252 HydrophobicContact CE1-CG 3.6Å; F250-E252 HydrophobicContact CZ-CG 3.94Å; E252-T258 WeakPolarHBondContact OE1-CA 3.28Å; E252-T258 VanDerWaalsContact OE1-CB 3.28Å; E252-T258 WeakPolarHBondContact OE1-CB 3.13Å; E252-A259 HydrophobicContact CG-CB 4.35Å; E252-A259 PolarHBondContact OE1-N 2.86Å | ||
| 253 | V | 97.7 | Very high | 97.4 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | trans | -110.1 | 151.5 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | A214 L217 V251 G255 G256 | A214-V253 HydrophobicContact CB-CG1 4.17Å; L217-V253 HydrophobicContact CB-CG1 4.21Å; L217-V253 HydrophobicContact CB-CG2 4.17Å; V251-V253 HydrophobicContact CG1-CG1 4.31Å; V251-V253 PolarHBondContact O-N 3.36Å; V253-G255 PolarHBondContact O-N 2.85Å; V253-G256 WeakPolarHBondContact O-CA 3.47Å; V253-G256 PolarHBondContact O-N 3.19Å | ||
| 254 | P | 96.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 41.6 Ų | 41.6 | 81% | 0.805 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 127.8 | 175.3 | -26.6 | 35.3 | 0 | 0 | 0 | 111.8 | A221 G256 | A221-P254 WeakPolarHBondContact CB-O 3.48Å; P254-G256 PolarHBondContact O-N 3.21Å |
| 255 | G | 96 | Very high | 97.1 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | R222 V253 | R222-G255 PolarHBondContact N-O 3Å; V253-G255 PolarHBondContact O-N 2.85Å |
| 256 | G | 96.7 | Very high | 97 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -92.1 | -172 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V253 P254 | V253-G256 WeakPolarHBondContact O-CA 3.47Å; V253-G256 PolarHBondContact O-N 3.19Å; P254-G256 PolarHBondContact O-N 3.21Å |
| 257 | M | 96 | Very high | 96.6 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | trans | -72.7 | 133.6 | 176.9 | -168.4 | 177.4 | -65.2 | 0 | 0 | 110.8 | F250 R261 A262 L265 | F250-M257 WeakPolarHBondContact CZ-O 3.47Å; M257-R261 HydrophobicContact CG-CB 4.15Å; M257-R261 HydrophobicContact CG-CG 4.11Å; M257-A262 HydrophobicContact CG-CB 3.9Å; M257-A262 WeakPolarHBondContact SD-CA 3.34Å; M257-A262 HydrophobicContact SD-CB 3.45Å; M257-A262 WeakPolarHBondContact SD-CB 3.45Å; M257-L265 HydrophobicContact CE-CD1 3.7Å; M257-L265 HydrophobicContact SD-CD1 3.93Å | ||
| 258 | T | 96.8 | Very high | 96 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | trans | -77.5 | 157.5 | 173.3 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | E252 A260 R261 A262 | E252-T258 WeakPolarHBondContact OE1-CA 3.28Å; E252-T258 VanDerWaalsContact OE1-CB 3.28Å; E252-T258 WeakPolarHBondContact OE1-CB 3.13Å; T258-A260 VanDerWaalsContact C-N 3.31Å; T258-A260 PolarHBondContact O-N 3.26Å; T258-R261 PolarHBondContact O-N 3.47Å; T258-R261 WeakPolarHBondContact OG1-CB 3.36Å; T258-R261 PolarHBondContact OG1-N 3.14Å; T258-A262 WeakPolarHBondContact O-CB 3.33Å; T258-A262 PolarHBondContact O-N 2.94Å | ||
| 259 | A | 96.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P45 F250 E252 R261 A262 L263 | P45-A259 HydrophobicContact CB-CB 3.95Å; P45-A259 HydrophobicContact CG-CB 4.18Å; F250-A259 HydrophobicContact CE1-CB 3.88Å; F250-A259 HydrophobicContact CZ-CB 4.39Å; E252-A259 HydrophobicContact CG-CB 4.35Å; E252-A259 PolarHBondContact OE1-N 2.86Å; A259-R261 PolarHBondContact O-N 3.37Å; A259-A262 PolarHBondContact O-N 3.38Å; A259-L263 WeakPolarHBondContact O-CB 3.49Å; A259-L263 WeakPolarHBondContact O-CG 3.37Å; A259-L263 PolarHBondContact O-N 3.37Å |
| 260 | A | 95.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T258 Q264 | T258-A260 VanDerWaalsContact C-N 3.31Å; T258-A260 PolarHBondContact O-N 3.26Å; A260-Q264 WeakPolarHBondContact O-CB 3.41Å; A260-Q264 PolarHBondContact O-N 2.77Å |
| 261 | R | 95.5 | Very high | 92.1 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.7 | -178.9 | 56.6 | 177.9 | 168.6 | 2.8 | 112 | M257 T258 A259 L263 Q264 L265 | M257-R261 HydrophobicContact CG-CB 4.15Å; M257-R261 HydrophobicContact CG-CG 4.11Å; T258-R261 PolarHBondContact O-N 3.47Å; T258-R261 WeakPolarHBondContact OG1-CB 3.36Å; T258-R261 PolarHBondContact OG1-N 3.14Å; A259-R261 PolarHBondContact O-N 3.37Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-L263 PolarHBondContact O-N 3.14Å; R261-Q264 PolarHBondContact O-N 2.76Å; R261-L265 HydrophobicContact CG-CD1 4.37Å; R261-L265 WeakPolarHBondContact O-CG 3.47Å; R261-L265 PolarHBondContact O-N 3.26Å |
| 262 | A | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N32 P45 F250 M257 T258 A259 F266 | N32-A262 PolarHBondContact ND2-O 2.71Å; P45-A262 HydrophobicContact CG-CB 3.47Å; P45-A262 VanDerWaalsContact CG-CB 3.47Å; F250-A262 HydrophobicContact CD2-CB 4.15Å; F250-A262 HydrophobicContact CE2-CB 3.49Å; F250-A262 VanDerWaalsContact CE2-CB 3.49Å; F250-A262 HydrophobicContact CZ-CB 3.89Å; M257-A262 HydrophobicContact CG-CB 3.9Å; M257-A262 WeakPolarHBondContact SD-CA 3.34Å; M257-A262 HydrophobicContact SD-CB 3.45Å; M257-A262 WeakPolarHBondContact SD-CB 3.45Å; T258-A262 WeakPolarHBondContact O-CB 3.33Å; T258-A262 PolarHBondContact O-N 2.94Å; A259-A262 PolarHBondContact O-N 3.38Å; A262-F266 VanDerWaalsContact O-CB 3.28Å; A262-F266 WeakPolarHBondContact O-CB 3.44Å; A262-F266 PolarHBondContact O-N 2.95Å |
| 263 | L | 96.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 173.5 | -75.4 | 171.9 | 0 | 0 | 0 | 112.1 | P45 E47 A259 R261 L265 F266 H267 | P45-L263 HydrophobicContact CB-CD1 4.33Å; P45-L263 HydrophobicContact CB-CD2 4.34Å; P45-L263 HydrophobicContact CB-CG 4.04Å; P45-L263 HydrophobicContact CG-CD2 4.35Å; P45-L263 HydrophobicContact CG-CG 3.92Å; E47-L263 HydrophobicContact CG-CD1 4.29Å; E47-L263 HydrophobicContact CG-CD2 3.69Å; A259-L263 WeakPolarHBondContact O-CB 3.49Å; A259-L263 WeakPolarHBondContact O-CG 3.37Å; A259-L263 PolarHBondContact O-N 3.37Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-L263 PolarHBondContact O-N 3.14Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.23Å; L263-F266 WeakPolarHBondContact O-CB 3.4Å; L263-F266 PolarHBondContact O-N 3.38Å; L263-F266 VanDerWaalsContact O-N 3.11Å; L263-H267 PolarHBondContact O-N 2.94Å |
| 264 | Q | 95.4 | Very high | 91.1 | Very high | 98 Ų | 98 | 68.5 Ų | 68.5 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.4 | -48.6 | 175.6 | -174.4 | -172.4 | 20.2 | 0 | 0 | 111.4 | A260 R261 F266 H267 H268 | A260-Q264 WeakPolarHBondContact O-CB 3.41Å; A260-Q264 PolarHBondContact O-N 2.77Å; R261-Q264 PolarHBondContact O-N 2.76Å; Q264-F266 VanDerWaalsContact C-N 3.29Å; Q264-F266 PolarHBondContact O-N 3.02Å; Q264-H267 PolarHBondContact O-N 3.35Å; Q264-H268 PolarHBondContact O-N 3.34Å |
| 265 | L | 94.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 177 | -71.2 | 176.2 | 0 | 0 | 0 | 112.5 | R34 M257 R261 L263 G269 N270 | R34-L265 HydrophobicContact CB-CB 4.1Å; R34-L265 WeakPolarHBondContact CG-O 3.11Å; M257-L265 HydrophobicContact CE-CD1 3.7Å; M257-L265 HydrophobicContact SD-CD1 3.93Å; R261-L265 HydrophobicContact CG-CD1 4.37Å; R261-L265 WeakPolarHBondContact O-CG 3.47Å; R261-L265 PolarHBondContact O-N 3.26Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.23Å; L265-G269 PolarHBondContact O-N 3.42Å; L265-N270 WeakPolarHBondContact CD2-OD1 3.44Å |
| 266 | F | 95.2 | Very high | 90.4 | Very high | 45 Ų | 45 | 66.1 Ų | 66.1 | 20% | 0.197 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 178.2 | -179.4 | -117.6 | 0 | 0 | 0 | 112.3 | N32 P44 A262 L263 Q264 | N32-F266 HydrophobicContact CB-CD2 4.01Å; P44-F266 HydrophobicContact CB-CB 4.47Å; P44-F266 HydrophobicContact CB-CD1 3.87Å; P44-F266 HydrophobicContact CB-CD2 4.05Å; P44-F266 HydrophobicContact CB-CE1 4.13Å; P44-F266 HydrophobicContact CB-CE2 4.3Å; P44-F266 HydrophobicContact CB-CG 3.86Å; P44-F266 HydrophobicContact CB-CZ 4.36Å; P44-F266 HydrophobicContact CG-CD1 4.41Å; P44-F266 HydrophobicContact CG-CD2 4.47Å; P44-F266 HydrophobicContact CG-CE1 4.17Å; P44-F266 HydrophobicContact CG-CE2 4.23Å; P44-F266 HydrophobicContact CG-CZ 4.1Å; A262-F266 VanDerWaalsContact O-CB 3.28Å; A262-F266 WeakPolarHBondContact O-CB 3.44Å; A262-F266 PolarHBondContact O-N 2.95Å; L263-F266 WeakPolarHBondContact O-CB 3.4Å; L263-F266 PolarHBondContact O-N 3.38Å; L263-F266 VanDerWaalsContact O-N 3.11Å; Q264-F266 VanDerWaalsContact C-N 3.29Å; Q264-F266 PolarHBondContact O-N 3.02Å |
| 267 | H | 92.1 | Very high | 90 | Very high | 99 Ų | 99 | 68.6 Ų | 68.6 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -84 | -40.3 | -175.8 | -64 | 159.3 | 0 | 0 | 0 | 113.9 | E47 L263 Q264 | E47-H267 IonicContact OE1-CE1 3.42Å; E47-H267 PolarHBondContact OE1-CE1 2.98Å; E47-H267 IonicContact OE1-NE2 2.85Å; E47-H267 PolarHBondContact OE1-NE2 3.38Å; L263-H267 PolarHBondContact O-N 2.94Å; Q264-H267 PolarHBondContact O-N 3.35Å |
| 268 | H | 84.2 | Confident | 89.5 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 72% | 0.718 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -112.9 | -7.7 | -166.3 | -59.3 | -62.7 | 0 | 0 | 0 | 114.1 | Q264 | Q264-H268 PolarHBondContact O-N 3.34Å |
| 269 | G | 67.6 | Low | 88.9 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | trans | 68.9 | -167.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L265 | L265-G269 PolarHBondContact O-N 3.42Š| ||
| 270 | N | 56.2 | Low | 88.2 | Confident | 186 Ų | 186 | 73.5 Ų | 73.5 | 100% | 0.995 | 38% | 0.379 | S | S | * | . | trans | -77.5 | 0 | 177.3 | -90.2 | -5.6 | 0 | 0 | 0 | 111.7 | L265 | L265-N270 WeakPolarHBondContact CD2-OD1 3.44Š|
Retrieved 270 of 270 residues in 939.3 ms
(Link to these results)