| 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 | 77.8 | Confident | 96 | Very high | 214 Ų | 214 | 42.9 Ų | 42.9 | 100% | 1.054 | 23% | 0.226 | S | C | * | . | 0 | 122.7 | 0 | -172 | 176.4 | -152.4 | 0 | 0 | 105.4 | K3 | M1-K3 PolarHBondContact O-N 2.7Š| |||
| 2 | T | 93.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | trans | -56.3 | 125.5 | -179.3 | -43.9 | 0 | 0 | 0 | 0 | 109.6 | D35 Y36 D37 | T2-D35 WeakPolarHBondContact CA-O 3.4Å; T2-D35 VanDerWaalsContact CA-OD2 3.25Å; T2-D35 WeakPolarHBondContact CA-OD2 3.4Å; T2-D35 VanDerWaalsContact CB-OD2 3.27Å; T2-D35 WeakPolarHBondContact CB-OD2 3.28Å; T2-D35 PolarHBondContact N-OD2 3.41Å; T2-D35 PolarHBondContact OG1-OD2 3.49Å; T2-Y36 VanDerWaalsContact CG2-C 3.46Å; T2-D37 HydrophobicContact CG2-CB 4.07Å | ||
| 3 | K | 97.6 | Very high | 96.2 | Very high | 70 Ų | 70 | 39 Ų | 39 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.9 | 179 | -62 | -55.2 | -171.4 | 170.8 | 0 | 110.6 | M1 F34 D35 Y36 D37 D67 F302 | M1-K3 PolarHBondContact O-N 2.7Å; K3-F34 HydrophobicContact CB-CE2 4.25Å; K3-F34 HydrophobicContact CB-CZ 3.91Å; K3-F34 HydrophobicContact CG-CE2 3.67Å; K3-F34 HydrophobicContact CG-CZ 3.87Å; K3-D35 PolarHBondContact N-O 3.2Å; K3-Y36 CarbonylContact O-C 3.6Å; K3-Y36 WeakPolarHBondContact O-CA 2.97Å; K3-Y36 WeakPolarHBondContact O-CB 3.4Å; K3-D37 PolarHBondContact O-N 3.16Å; K3-D67 WeakPolarHBondContact CA-OD2 3.36Å; K3-F302 HydrophobicContact CB-CD1 4.26Å; K3-F302 HydrophobicContact CB-CE1 3.68Å; K3-F302 HydrophobicContact CB-CZ 4Å; K3-F302 HydrophobicContact CD-CD1 3.94Å; K3-F302 HydrophobicContact CD-CE1 3.86Å; K3-F302 HydrophobicContact CG-CD1 3.78Å; K3-F302 HydrophobicContact CG-CE1 3.69Å; K3-F302 HydrophobicContact CG-CZ 4.42Å |
| 4 | K | 98.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.9 | 178.1 | -173.6 | 178.2 | 180 | -177.8 | 0 | 110.3 | D39 S65 D67 A68 | K4-D39 WeakPolarHBondContact CE-OD2 3.48Å; K4-D39 IonicContact NZ-OD2 3.72Å; K4-D39 PolarHBondContact NZ-OD2 2.84Å; K4-S65 PolarHBondContact NZ-OG 2.86Å; K4-D67 PolarHBondContact N-OD2 3.31Å; K4-D67 PolarHBondContact O-N 3Å; K4-A68 PolarHBondContact O-N 3.36Å |
| 5 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.2 | 176 | -62.7 | 163.8 | 0 | 0 | 0 | 108.5 | T7 L25 F34 Y36 D37 I38 D39 A68 L70 M297 F302 | I5-T7 HydrophobicContact CG2-CG2 4.23Å; I5-L25 HydrophobicContact CD1-CD2 4.02Å; I5-F34 HydrophobicContact CD1-CE1 4.22Å; I5-F34 HydrophobicContact CD1-CZ 4.49Å; I5-Y36 HydrophobicContact CD1-CD2 3.97Å; I5-Y36 HydrophobicContact CD1-CG 4.18Å; I5-D37 PolarHBondContact N-O 3.24Å; I5-I38 HydrophobicContact CB-CD1 3.9Å; I5-I38 HydrophobicContact CG2-CD1 3.93Å; I5-I38 WeakPolarHBondContact O-CA 3.48Å; I5-D39 PolarHBondContact O-N 3.45Å; I5-A68 WeakPolarHBondContact CA-O 3.09Å; I5-L70 HydrophobicContact CG2-CD1 3.98Å; I5-L70 HydrophobicContact CG2-CG 4.22Å; I5-M297 HydrophobicContact CD1-CE 3.68Å; I5-M297 HydrophobicContact CD1-SD 4.03Å; I5-M297 HydrophobicContact CG1-CE 4.43Å; I5-M297 HydrophobicContact CG1-SD 4.12Å; I5-M297 HydrophobicContact CG2-SD 4.01Å; I5-F302 HydrophobicContact CD1-CE2 4.01Å; I5-F302 HydrophobicContact CD1-CZ 4.26Å; I5-F302 HydrophobicContact CG1-CE2 4.08Å; I5-F302 HydrophobicContact CG1-CZ 3.87Å |
| 6 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.4 | 172.2 | 167 | 0 | 0 | 0 | 0 | 109.1 | L8 D39 K41 A62 A66 A68 I69 L70 | V6-L8 HydrophobicContact CG1-CD2 3.67Å; V6-L8 HydrophobicContact CG1-CG 4.19Å; V6-D39 WeakPolarHBondContact CA-O 3.35Å; V6-D39 HydrophobicContact CG2-CB 4.09Å; V6-K41 HydrophobicContact CG1-CG 4.32Å; V6-A62 HydrophobicContact CG2-CB 4.02Å; V6-A66 HydrophobicContact CB-CB 4.09Å; V6-A66 HydrophobicContact CG2-CB 3.66Å; V6-A68 PolarHBondContact N-O 3.46Å; V6-I69 HydrophobicContact CB-CG1 4.35Å; V6-I69 CarbonylContact O-C 3.6Å; V6-I69 WeakPolarHBondContact O-CA 3.45Å; V6-L70 PolarHBondContact O-N 3.04Å |
| 7 | T | 98.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.1 | 178.9 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | I5 M18 L22 I38 D39 A40 K41 L70 | I5-T7 HydrophobicContact CG2-CG2 4.23Å; T7-M18 HydrophobicContact CG2-SD 3.86Å; T7-L22 HydrophobicContact CG2-CD1 4.32Å; T7-L22 HydrophobicContact CG2-CD2 4.13Å; T7-I38 HydrophobicContact CG2-CD1 3.94Å; T7-I38 HydrophobicContact CG2-CG2 3.73Å; T7-I38 WeakPolarHBondContact OG1-CG2 3.21Å; T7-D39 PolarHBondContact N-O 3.3Å; T7-A40 VanDerWaalsContact OG1-CA 3.3Å; T7-A40 WeakPolarHBondContact OG1-CA 3.07Å; T7-A40 WeakPolarHBondContact OG1-CB 3.48Å; T7-K41 PolarHBondContact O-N 3.34Å; T7-L70 CarbonylContact C-O 3.53Å; T7-L70 WeakPolarHBondContact CA-O 3.43Å; T7-L70 HydrophobicContact CG2-CB 4.32Å; T7-L70 HydrophobicContact CG2-CD1 4.43Å |
| 8 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 77.8 | -178.8 | -52.5 | -175.6 | 0 | 0 | 0 | 108 | V6 G10 K41 F43 T59 I69 L70 L71 A72 I93 | V6-L8 HydrophobicContact CG1-CD2 3.67Å; V6-L8 HydrophobicContact CG1-CG 4.19Å; L8-G10 PolarHBondContact O-N 2.95Å; L8-K41 HydrophobicContact CD2-CB 3.79Å; L8-F43 HydrophobicContact CB-CB 3.9Å; L8-F43 HydrophobicContact CB-CD1 4.33Å; L8-F43 HydrophobicContact CB-CG 4.22Å; L8-F43 HydrophobicContact CD1-CB 4.25Å; L8-F43 HydrophobicContact CD1-CD1 4.32Å; L8-F43 HydrophobicContact CD1-CD2 4.1Å; L8-F43 HydrophobicContact CD1-CG 3.95Å; L8-F43 HydrophobicContact CD2-CB 4.06Å; L8-F43 HydrophobicContact CG-CB 4.28Å; L8-F43 HydrophobicContact CG-CG 4.49Å; L8-T59 HydrophobicContact CD2-CG2 3.57Å; L8-I69 HydrophobicContact CD1-CG2 3.77Å; L8-I69 HydrophobicContact CG-CG2 4.01Å; L8-L70 PolarHBondContact N-O 2.83Å; L8-L71 HydrophobicContact CB-CB 4.23Å; L8-L71 HydrophobicContact CB-CG 4.29Å; L8-L71 HydrophobicContact CD1-CD1 4.33Å; L8-L71 WeakPolarHBondContact O-CA 3.27Å; L8-A72 PolarHBondContact O-N 2.89Å; L8-I93 HydrophobicContact CD1-CD1 3.89Å |
| 9 | A | 98.6 | Very high | 97 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | -31.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D11 G14 P15 M18 A72 | A9-D11 PolarHBondContact O-N 3.22Å; A9-G14 CarbonylContact O-C 3.53Å; A9-G14 WeakPolarHBondContact O-CA 2.97Å; A9-P15 HydrophobicContact CB-CG 4.31Å; A9-M18 HydrophobicContact CB-CB 4.11Å; A9-M18 HydrophobicContact CB-CG 4.22Å; A9-A72 WeakPolarHBondContact O-CB 3.48Å |
| 10 | G | 97.3 | Very high | 97 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.1 | -126.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L8 A73 | L8-G10 PolarHBondContact O-N 2.95Å; G10-A73 CarbonylContact C-O 3.56Å; G10-A73 VanDerWaalsContact CA-O 3.23Å; G10-A73 WeakPolarHBondContact CA-O 3.18Å |
| 11 | D | 97.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -124 | 164.8 | -162.7 | -53.5 | -61.3 | 0 | 0 | 0 | 113.5 | A9 I13 G14 G45 A46 A73 I74 G75 | A9-D11 PolarHBondContact O-N 3.22Å; D11-I13 PolarHBondContact O-N 2.87Å; D11-G14 PolarHBondContact O-N 3.22Å; D11-G45 VanDerWaalsContact CG-N 3.33Å; D11-G45 VanDerWaalsContact OD1-C 3.28Å; D11-G45 WeakPolarHBondContact OD1-CA 3.19Å; D11-G45 PolarHBondContact OD1-N 3.07Å; D11-G45 VanDerWaalsContact OD1-N 3.15Å; D11-G45 WeakPolarHBondContact OD2-CA 3.45Å; D11-G45 PolarHBondContact OD2-N 2.89Å; D11-A46 PolarHBondContact OD1-N 3.44Å; D11-A73 PolarHBondContact N-O 2.97Å; D11-I74 WeakPolarHBondContact OD2-CA 3.31Å; D11-G75 WeakPolarHBondContact CB-O 3.33Å; D11-G75 PolarHBondContact OD2-N 3.42Å |
| 12 | G | 96.7 | Very high | 98.1 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -124.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G14 P15 S275 | G12-G14 PolarHBondContact O-N 2.81Å; G12-P15 WeakPolarHBondContact O-CD 3.43Å; G12-S275 CarbonylContact C-O 3.48Å; G12-S275 VanDerWaalsContact CA-O 3.31Å; G12-S275 WeakPolarHBondContact CA-O 3.17Å |
| 13 | I | 97.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.6 | 175.5 | 64.6 | 168.5 | 0 | 0 | 0 | 113.5 | D11 E16 I17 S275 A276 I279 A280 A285 | D11-I13 PolarHBondContact O-N 2.87Å; I13-E16 WeakPolarHBondContact O-CB 3.19Å; I13-E16 PolarHBondContact O-N 2.76Å; I13-I17 HydrophobicContact CD1-CD1 4.32Å; I13-I17 HydrophobicContact CD1-CG2 4.19Å; I13-I17 HydrophobicContact CG1-CD1 4.37Å; I13-I17 PolarHBondContact O-N 3.15Å; I13-I17 VanDerWaalsContact O-N 3.1Å; I13-S275 WeakPolarHBondContact CG1-O 3.43Å; I13-S275 PolarHBondContact N-O 3.41Å; I13-A276 HydrophobicContact CD1-CB 4.08Å; I13-A276 HydrophobicContact CG1-CB 4.29Å; I13-A276 HydrophobicContact CG2-CB 4.04Å; I13-I279 HydrophobicContact CG2-CD1 4.07Å; I13-I279 HydrophobicContact CG2-CG1 3.69Å; I13-A280 HydrophobicContact CG2-CB 4.4Å; I13-A285 HydrophobicContact CB-CB 3.82Å; I13-A285 HydrophobicContact CD1-CB 4.01Å; I13-A285 HydrophobicContact CG2-CB 3.8Å |
| 14 | G | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -50.5 | -48.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A9 D11 G12 E16 I17 M18 A72 | A9-G14 CarbonylContact O-C 3.53Å; A9-G14 WeakPolarHBondContact O-CA 2.97Å; D11-G14 PolarHBondContact O-N 3.22Å; G12-G14 PolarHBondContact O-N 2.81Å; G14-E16 PolarHBondContact O-N 2.94Å; G14-I17 WeakPolarHBondContact O-CG1 3.48Å; G14-M18 WeakPolarHBondContact O-CB 3.28Å; G14-M18 PolarHBondContact O-N 3.29Å; G14-A72 WeakPolarHBondContact O-CB 3.29Å |
| 15 | P | 98.5 | Very high | 98.5 | Very high | 69 Ų | 69 | 19 Ų | 19 | 45% | 0.448 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 173.6 | -27.5 | 36.8 | 0 | 0 | 0 | 114.8 | A9 G12 A19 | A9-P15 HydrophobicContact CB-CG 4.31Å; G12-P15 WeakPolarHBondContact O-CD 3.43Å; P15-A19 WeakPolarHBondContact O-CB 3.39Å; P15-A19 PolarHBondContact O-N 3.18Å |
| 16 | E | 98.4 | Very high | 98.5 | Very high | 41 Ų | 41 | 25.2 Ų | 25.2 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -47.5 | -178.8 | -69.5 | 167.4 | -100.6 | 0 | 0 | 111.4 | I13 G14 A19 A20 G281 G283 | I13-E16 WeakPolarHBondContact O-CB 3.19Å; I13-E16 PolarHBondContact O-N 2.76Å; G14-E16 PolarHBondContact O-N 2.94Å; E16-A19 PolarHBondContact O-N 3.25Å; E16-A20 PolarHBondContact O-N 2.94Å; E16-A20 VanDerWaalsContact O-N 3.13Å; E16-G281 PolarHBondContact OE1-N 2.69Å; E16-G283 VanDerWaalsContact OE2-CA 3.29Å; E16-G283 WeakPolarHBondContact OE2-CA 3.37Å; E16-G283 PolarHBondContact OE2-N 2.87Å |
| 17 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.8 | -32.8 | -179.3 | 68 | -179.2 | 0 | 0 | 0 | 111.8 | I13 G14 A20 G21 A72 P271 A285 P287 M290 | I13-I17 HydrophobicContact CD1-CD1 4.32Å; I13-I17 HydrophobicContact CD1-CG2 4.19Å; I13-I17 HydrophobicContact CG1-CD1 4.37Å; I13-I17 PolarHBondContact O-N 3.15Å; I13-I17 VanDerWaalsContact O-N 3.1Å; G14-I17 WeakPolarHBondContact O-CG1 3.48Å; I17-A20 PolarHBondContact O-N 3.3Å; I17-G21 PolarHBondContact O-N 3.47Å; I17-A72 HydrophobicContact CD1-CB 3.97Å; I17-A72 HydrophobicContact CG1-CB 3.85Å; I17-P271 HydrophobicContact CD1-CG 4.14Å; I17-A285 HydrophobicContact CG2-CB 3.93Å; I17-P287 HydrophobicContact CG2-CB 4.45Å; I17-M290 HydrophobicContact CB-CB 3.98Å; I17-M290 HydrophobicContact CB-CG 4.37Å; I17-M290 HydrophobicContact CD1-CB 4.26Å; I17-M290 HydrophobicContact CG1-CB 4.11Å; I17-M290 HydrophobicContact CG1-CG 4.23Å; I17-M290 VanDerWaalsContact O-CG 3.25Å; I17-M290 WeakPolarHBondContact O-CG 3.26Å |
| 18 | M | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 173.5 | -178.6 | 65.1 | 69.8 | 0 | 0 | 110.3 | T7 A9 G14 A20 G21 L22 L70 A72 M290 | T7-M18 HydrophobicContact CG2-SD 3.86Å; A9-M18 HydrophobicContact CB-CB 4.11Å; A9-M18 HydrophobicContact CB-CG 4.22Å; G14-M18 WeakPolarHBondContact O-CB 3.28Å; G14-M18 PolarHBondContact O-N 3.29Å; M18-A20 PolarHBondContact O-N 3.3Å; M18-G21 PolarHBondContact O-N 2.93Å; M18-L22 HydrophobicContact CG-CD1 4.22Å; M18-L22 HydrophobicContact CG-CG 4.48Å; M18-L22 VanDerWaalsContact O-CG 3.32Å; M18-L22 WeakPolarHBondContact O-CG 3.39Å; M18-L22 PolarHBondContact O-N 3.38Å; M18-L22 HydrophobicContact SD-CD1 4.48Å; M18-L22 HydrophobicContact SD-CG 4.35Å; M18-L70 HydrophobicContact CE-CB 3.93Å; M18-L70 WeakPolarHBondContact CE-O 3.36Å; M18-L70 HydrophobicContact SD-CB 4.13Å; M18-A72 HydrophobicContact CB-CB 4.31Å; M18-A72 HydrophobicContact CE-CB 4Å; M18-M290 HydrophobicContact CE-CE 3.93Å; M18-M290 HydrophobicContact CE-SD 4.35Å; M18-M290 HydrophobicContact SD-CE 3.9Å |
| 19 | A | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 37% | 0.372 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.8 | -49.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P15 E16 G21 L22 E23 | P15-A19 WeakPolarHBondContact O-CB 3.39Å; P15-A19 PolarHBondContact O-N 3.18Å; E16-A19 PolarHBondContact O-N 3.25Å; A19-G21 VanDerWaalsContact C-N 3.35Å; A19-G21 PolarHBondContact O-N 3.49Å; A19-L22 PolarHBondContact O-N 3.05Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A19-E23 WeakPolarHBondContact O-CG 3.42Å; A19-E23 PolarHBondContact O-N 3.28Å |
| 20 | A | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | E16 I17 M18 L22 E23 V24 P287 T334 T338 | E16-A20 PolarHBondContact O-N 2.94Å; E16-A20 VanDerWaalsContact O-N 3.13Å; I17-A20 PolarHBondContact O-N 3.3Å; M18-A20 PolarHBondContact O-N 3.3Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; A20-E23 PolarHBondContact O-N 2.88Å; A20-V24 PolarHBondContact O-N 3.26Å; A20-V24 VanDerWaalsContact O-N 3.16Å; A20-P287 HydrophobicContact CB-CB 3.48Å; A20-P287 VanDerWaalsContact CB-CB 3.48Å; A20-P287 HydrophobicContact CB-CG 4.27Å; A20-T334 HydrophobicContact CB-CG2 4.33Å; A20-T338 HydrophobicContact CB-CG2 3.97Å; A20-T338 WeakPolarHBondContact CB-OG1 3.23Å |
| 21 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | I17 M18 A19 V24 L25 | I17-G21 PolarHBondContact O-N 3.47Å; M18-G21 PolarHBondContact O-N 2.93Å; A19-G21 VanDerWaalsContact C-N 3.35Å; A19-G21 PolarHBondContact O-N 3.49Å; G21-V24 PolarHBondContact O-N 3.07Å; G21-L25 PolarHBondContact O-N 3.47Å |
| 22 | L | 98.9 | Very high | 98.2 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.9 | -34.4 | 178.3 | -66.1 | 179.6 | 0 | 0 | 0 | 113 | T7 M18 A19 A20 V24 L25 E26 I38 L70 | T7-L22 HydrophobicContact CG2-CD1 4.32Å; T7-L22 HydrophobicContact CG2-CD2 4.13Å; M18-L22 HydrophobicContact CG-CD1 4.22Å; M18-L22 HydrophobicContact CG-CG 4.48Å; M18-L22 VanDerWaalsContact O-CG 3.32Å; M18-L22 WeakPolarHBondContact O-CG 3.39Å; M18-L22 PolarHBondContact O-N 3.38Å; M18-L22 HydrophobicContact SD-CD1 4.48Å; M18-L22 HydrophobicContact SD-CG 4.35Å; A19-L22 PolarHBondContact O-N 3.05Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; L22-V24 VanDerWaalsContact C-N 3.34Å; L22-L25 HydrophobicContact CD2-CD2 4.2Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3Å; L22-E26 WeakPolarHBondContact O-CB 3.47Å; L22-E26 PolarHBondContact O-N 3.33Å; L22-I38 HydrophobicContact CD1-CG2 4.45Å; L22-I38 HydrophobicContact CD2-CD1 3.63Å; L22-I38 HydrophobicContact CD2-CG1 4.33Å; L22-L70 HydrophobicContact CD2-CD1 4.3Å |
| 23 | E | 98.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 40 Ų | 40 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 172.5 | -72.3 | 176.3 | -129.2 | 0 | 0 | 111.4 | A19 A20 E26 A27 T338 I342 | A19-E23 WeakPolarHBondContact O-CG 3.42Å; A19-E23 PolarHBondContact O-N 3.28Å; A20-E23 PolarHBondContact O-N 2.88Å; E23-E26 PolarHBondContact O-N 3.08Å; E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 3.44Å; E23-T338 HydrophobicContact CB-CG2 4.16Å; E23-I342 HydrophobicContact CB-CD1 4.03Å |
| 24 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A20 G21 L22 A27 V28 I291 I311 T338 I341 I342 L345 | A20-V24 PolarHBondContact O-N 3.26Å; A20-V24 VanDerWaalsContact O-N 3.16Å; G21-V24 PolarHBondContact O-N 3.07Å; L22-V24 VanDerWaalsContact C-N 3.34Å; V24-A27 PolarHBondContact O-N 3.43Å; V24-V28 PolarHBondContact O-N 2.98Å; V24-I291 HydrophobicContact CB-CG1 4.4Å; V24-I291 HydrophobicContact CB-CG2 4.36Å; V24-I291 HydrophobicContact CG1-CG2 3.97Å; V24-I291 HydrophobicContact CG2-CD1 3.86Å; V24-I291 HydrophobicContact CG2-CG1 3.93Å; V24-I291 HydrophobicContact CG2-CG2 4.24Å; V24-I311 HydrophobicContact CG1-CD1 3.96Å; V24-I311 HydrophobicContact CG1-CG1 3.83Å; V24-I311 HydrophobicContact CG1-CG2 4.24Å; V24-T338 HydrophobicContact CG2-CG2 4.15Å; V24-I341 HydrophobicContact CG1-CG2 4.45Å; V24-I341 HydrophobicContact CG2-CG2 4.17Å; V24-I342 HydrophobicContact CG2-CD1 4.37Å; V24-I342 HydrophobicContact CG2-CG1 3.91Å; V24-L345 HydrophobicContact CG1-CD1 4.44Å |
| 25 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.2 | -179.9 | 56.6 | 0 | 0 | 0 | 111.3 | I5 G21 L22 A27 V28 A29 F34 Y36 V294 M297 L298 | I5-L25 HydrophobicContact CD1-CD2 4.02Å; G21-L25 PolarHBondContact O-N 3.47Å; L22-L25 HydrophobicContact CD2-CD2 4.2Å; L22-L25 WeakPolarHBondContact O-CB 3.49Å; L22-L25 PolarHBondContact O-N 3Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.01Å; L25-V28 HydrophobicContact CD1-CG1 4.37Å; L25-V28 WeakPolarHBondContact O-CG1 3.37Å; L25-V28 PolarHBondContact O-N 3.15Å; L25-A29 WeakPolarHBondContact O-CB 3.08Å; L25-A29 PolarHBondContact O-N 3.49Å; L25-F34 HydrophobicContact CD1-CD1 4.35Å; L25-F34 HydrophobicContact CD1-CE1 4.34Å; L25-Y36 HydrophobicContact CD2-CD2 4.07Å; L25-Y36 HydrophobicContact CD2-CE1 4.4Å; L25-Y36 HydrophobicContact CD2-CE2 3.64Å; L25-Y36 HydrophobicContact CG-CE1 4.06Å; L25-Y36 HydrophobicContact CG-CE2 4.11Å; L25-V294 HydrophobicContact CB-CG1 3.89Å; L25-V294 HydrophobicContact CD1-CG1 3.88Å; L25-V294 HydrophobicContact CG-CG1 4.31Å; L25-M297 HydrophobicContact CD2-CE 4.13Å; L25-L298 HydrophobicContact CD1-CD1 4.2Å; L25-L298 HydrophobicContact CD1-CD2 3.93Å; L25-L298 HydrophobicContact CD1-CG 4.29Å |
| 26 | E | 98.6 | Very high | 98.1 | Very high | 132 Ų | 132 | 43.8 Ų | 43.8 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.6 | -46.6 | 177.7 | -177.9 | 177.8 | -172.6 | 0 | 0 | 111.1 | L22 E23 V28 A29 S30 Y36 | L22-E26 WeakPolarHBondContact O-CB 3.47Å; L22-E26 PolarHBondContact O-N 3.33Å; E23-E26 PolarHBondContact O-N 3.08Å; E26-V28 PolarHBondContact O-N 2.92Å; E26-A29 PolarHBondContact O-N 3.27Å; E26-S30 PolarHBondContact O-N 3.02Å; E26-Y36 WeakPolarHBondContact CA-OH 3.24Å; E26-Y36 PolarHBondContact N-OH 3.08Å |
| 27 | A | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E23 V24 L25 S30 I342 L345 | E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 3.44Å; V24-A27 PolarHBondContact O-N 3.43Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.01Å; A27-S30 PolarHBondContact O-OG 2.91Å; A27-I342 HydrophobicContact CB-CG1 4.16Å; A27-I342 HydrophobicContact CB-CG2 3.92Å; A27-L345 HydrophobicContact CB-CD1 3.54Å |
| 28 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.4 | -37.2 | 178.8 | 77 | 0 | 0 | 0 | 0 | 112.2 | V24 L25 E26 S30 K31 I32 L298 L310 I311 L345 | V24-V28 PolarHBondContact O-N 2.98Å; L25-V28 HydrophobicContact CD1-CG1 4.37Å; L25-V28 WeakPolarHBondContact O-CG1 3.37Å; L25-V28 PolarHBondContact O-N 3.15Å; E26-V28 PolarHBondContact O-N 2.92Å; V28-S30 PolarHBondContact O-N 2.97Å; V28-K31 WeakPolarHBondContact O-CA 3.34Å; V28-K31 WeakPolarHBondContact O-CB 3.33Å; V28-K31 PolarHBondContact O-N 2.94Å; V28-I32 WeakPolarHBondContact O-CG1 3.37Å; V28-I32 PolarHBondContact O-N 2.62Å; V28-L298 HydrophobicContact CG1-CD1 3.81Å; V28-L310 HydrophobicContact CG2-CB 4.11Å; V28-L310 HydrophobicContact CG2-CD1 4Å; V28-I311 HydrophobicContact CB-CG1 4.4Å; V28-I311 HydrophobicContact CG1-CD1 4.04Å; V28-I311 HydrophobicContact CG1-CG1 4.36Å; V28-I311 HydrophobicContact CG2-CG1 4.45Å; V28-L345 HydrophobicContact CB-CD1 4.46Å |
| 29 | A | 98.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -37.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | L25 E26 K31 I32 N33 F34 Y36 | L25-A29 WeakPolarHBondContact O-CB 3.08Å; L25-A29 PolarHBondContact O-N 3.49Å; E26-A29 PolarHBondContact O-N 3.27Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.97Å; A29-I32 PolarHBondContact O-N 2.72Å; A29-N33 WeakPolarHBondContact O-CA 3.29Å; A29-N33 PolarHBondContact O-N 2.84Å; A29-F34 HydrophobicContact CB-CB 4.2Å; A29-F34 HydrophobicContact CB-CD1 4.34Å; A29-F34 PolarHBondContact O-N 3.34Å; A29-Y36 HydrophobicContact CB-CD1 4.19Å; A29-Y36 HydrophobicContact CB-CE1 3.59Å |
| 30 | S | 94.7 | Very high | 98.1 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.3 | -30.2 | 174.4 | 74 | 0 | 0 | 0 | 0 | 113.9 | E26 A27 V28 | E26-S30 PolarHBondContact O-N 3.02Å; A27-S30 PolarHBondContact O-OG 2.91Å; V28-S30 PolarHBondContact O-N 2.97Å |
| 31 | K | 97.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 53.5 Ų | 53.5 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84 | -28.8 | -177.7 | -57.9 | -173.2 | -175.8 | -167.3 | 0 | 112.9 | V28 A29 L310 L345 | V28-K31 WeakPolarHBondContact O-CA 3.34Å; V28-K31 WeakPolarHBondContact O-CB 3.33Å; V28-K31 PolarHBondContact O-N 2.94Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.97Å; K31-L310 HydrophobicContact CD-CD1 4.42Å; K31-L345 VanDerWaalsContact NZ-CB 3.29Å; K31-L345 PolarHBondContact NZ-O 3.49Å; K31-L345 PolarHBondContact NZ-OXT 3.09Å |
| 32 | I | 97 | Very high | 98 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -105.4 | 0.1 | -177.7 | 64.2 | 172.6 | 0 | 0 | 0 | 113.2 | V28 A29 F34 L298 E304 L310 | V28-I32 WeakPolarHBondContact O-CG1 3.37Å; V28-I32 PolarHBondContact O-N 2.62Å; A29-I32 PolarHBondContact O-N 2.72Å; I32-F34 VanDerWaalsContact C-N 3.29Å; I32-F34 HydrophobicContact CD1-CB 3.63Å; I32-F34 HydrophobicContact CD1-CG 4.35Å; I32-F34 HydrophobicContact CG1-CB 3.62Å; I32-F34 PolarHBondContact O-N 2.95Å; I32-L298 HydrophobicContact CD1-CD2 4.5Å; I32-E304 HydrophobicContact CD1-CB 4.01Å; I32-E304 HydrophobicContact CD1-CG 4.08Å; I32-L310 HydrophobicContact CG2-CD1 4.37Å |
| 33 | N | 95.3 | Very high | 98 | Very high | 148 Ų | 148 | 53.3 Ų | 53.3 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 40.7 | -174 | -53.7 | -70.6 | 0 | 0 | 0 | 113 | A29 | A29-N33 WeakPolarHBondContact O-CA 3.29Å; A29-N33 PolarHBondContact O-N 2.84Å |
| 34 | F | 97.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | trans | -86.9 | 116.2 | 178.3 | 179.8 | -109.5 | 0 | 0 | 0 | 110.2 | K3 I5 L25 A29 I32 Y36 L298 F302 E304 | K3-F34 HydrophobicContact CB-CE2 4.25Å; K3-F34 HydrophobicContact CB-CZ 3.91Å; K3-F34 HydrophobicContact CG-CE2 3.67Å; K3-F34 HydrophobicContact CG-CZ 3.87Å; I5-F34 HydrophobicContact CD1-CE1 4.22Å; I5-F34 HydrophobicContact CD1-CZ 4.49Å; L25-F34 HydrophobicContact CD1-CD1 4.35Å; L25-F34 HydrophobicContact CD1-CE1 4.34Å; A29-F34 HydrophobicContact CB-CB 4.2Å; A29-F34 HydrophobicContact CB-CD1 4.34Å; A29-F34 PolarHBondContact O-N 3.34Å; I32-F34 VanDerWaalsContact C-N 3.29Å; I32-F34 HydrophobicContact CD1-CB 3.63Å; I32-F34 HydrophobicContact CD1-CG 4.35Å; I32-F34 HydrophobicContact CG1-CB 3.62Å; I32-F34 PolarHBondContact O-N 2.95Å; F34-Y36 AromaticContact CD1-CD1 3.62Å; F34-Y36 HydrophobicContact CD1-CD1 3.62Å; F34-Y36 HydrophobicContact CD1-CE1 4.39Å; F34-Y36 HydrophobicContact CD1-CG 4.2Å; F34-Y36 AromaticContact CE1-CD1 3.8Å; F34-Y36 HydrophobicContact CE1-CD1 3.8Å; F34-Y36 AromaticContact CE1-CG 3.9Å; F34-Y36 HydrophobicContact CE1-CG 3.9Å; F34-L298 HydrophobicContact CD1-CD2 3.95Å; F34-L298 HydrophobicContact CE1-CD2 3.86Å; F34-L298 HydrophobicContact CG-CD2 4.32Å; F34-L298 HydrophobicContact CZ-CD2 4.17Å; F34-F302 HydrophobicContact CE1-CD2 4.35Å; F34-F302 HydrophobicContact CE1-CE2 4.46Å; F34-F302 HydrophobicContact CE2-CB 3.79Å; F34-F302 HydrophobicContact CE2-CD1 4.12Å; F34-F302 AromaticContact CE2-CD2 3.84Å; F34-F302 HydrophobicContact CE2-CD2 3.84Å; F34-F302 HydrophobicContact CE2-CE2 4.45Å; F34-F302 AromaticContact CE2-CG 3.64Å; F34-F302 HydrophobicContact CE2-CG 3.64Å; F34-F302 HydrophobicContact CZ-CB 4.28Å; F34-F302 HydrophobicContact CZ-CD1 4.17Å; F34-F302 AromaticContact CZ-CD2 3.4Å; F34-F302 HydrophobicContact CZ-CD2 3.4Å; F34-F302 VanDerWaalsContact CZ-CD2 3.4Å; F34-F302 HydrophobicContact CZ-CE1 4.37Å; F34-F302 AromaticContact CZ-CE2 3.65Å; F34-F302 HydrophobicContact CZ-CE2 3.65Å; F34-F302 AromaticContact CZ-CG 3.69Å; F34-F302 HydrophobicContact CZ-CG 3.69Å; F34-F302 HydrophobicContact CZ-CZ 4.14Å; F34-E304 HydrophobicContact CD2-CG 3.82Å; F34-E304 HydrophobicContact CE2-CG 4.26Å | ||
| 35 | D | 98 | Very high | 97.9 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | trans | -99.7 | 122.9 | -178.3 | 179.5 | 40.5 | 0 | 0 | 0 | 110.5 | T2 K3 | T2-D35 WeakPolarHBondContact CA-O 3.4Å; T2-D35 VanDerWaalsContact CA-OD2 3.25Å; T2-D35 WeakPolarHBondContact CA-OD2 3.4Å; T2-D35 VanDerWaalsContact CB-OD2 3.27Å; T2-D35 WeakPolarHBondContact CB-OD2 3.28Å; T2-D35 PolarHBondContact N-OD2 3.41Å; T2-D35 PolarHBondContact OG1-OD2 3.49Å; K3-D35 PolarHBondContact N-O 3.2Å | ||
| 36 | Y | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.3 | -174.3 | 70.6 | -80.3 | 0 | 0 | 0 | 112.5 | T2 K3 I5 L25 E26 A29 F34 I38 | T2-Y36 VanDerWaalsContact CG2-C 3.46Å; K3-Y36 CarbonylContact O-C 3.6Å; K3-Y36 WeakPolarHBondContact O-CA 2.97Å; K3-Y36 WeakPolarHBondContact O-CB 3.4Å; I5-Y36 HydrophobicContact CD1-CD2 3.97Å; I5-Y36 HydrophobicContact CD1-CG 4.18Å; L25-Y36 HydrophobicContact CD2-CD2 4.07Å; L25-Y36 HydrophobicContact CD2-CE1 4.4Å; L25-Y36 HydrophobicContact CD2-CE2 3.64Å; L25-Y36 HydrophobicContact CG-CE1 4.06Å; L25-Y36 HydrophobicContact CG-CE2 4.11Å; E26-Y36 WeakPolarHBondContact CA-OH 3.24Å; E26-Y36 PolarHBondContact N-OH 3.08Å; A29-Y36 HydrophobicContact CB-CD1 4.19Å; A29-Y36 HydrophobicContact CB-CE1 3.59Å; F34-Y36 AromaticContact CD1-CD1 3.62Å; F34-Y36 HydrophobicContact CD1-CD1 3.62Å; F34-Y36 HydrophobicContact CD1-CE1 4.39Å; F34-Y36 HydrophobicContact CD1-CG 4.2Å; F34-Y36 AromaticContact CE1-CD1 3.8Å; F34-Y36 HydrophobicContact CE1-CD1 3.8Å; F34-Y36 AromaticContact CE1-CG 3.9Å; F34-Y36 HydrophobicContact CE1-CG 3.9Å; Y36-I38 HydrophobicContact CD2-CD1 3.89Å; Y36-I38 HydrophobicContact CD2-CG1 3.95Å; Y36-I38 HydrophobicContact CE2-CD1 3.83Å; Y36-I38 HydrophobicContact CE2-CG1 3.72Å |
| 37 | D | 98.5 | Very high | 97.7 | Very high | 101 Ų | 101 | 43.8 Ų | 43.8 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.2 | 172 | -174.8 | 34.4 | 0 | 0 | 0 | 110 | T2 K3 I5 | T2-D37 HydrophobicContact CG2-CB 4.07Å; K3-D37 PolarHBondContact O-N 3.16Å; I5-D37 PolarHBondContact N-O 3.24Å |
| 38 | I | 98.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.256 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.7 | -177.2 | -62.4 | -69.4 | 0 | 0 | 0 | 109.6 | I5 T7 L22 Y36 | I5-I38 HydrophobicContact CB-CD1 3.9Å; I5-I38 HydrophobicContact CG2-CD1 3.93Å; I5-I38 WeakPolarHBondContact O-CA 3.48Å; T7-I38 HydrophobicContact CG2-CD1 3.94Å; T7-I38 HydrophobicContact CG2-CG2 3.73Å; T7-I38 WeakPolarHBondContact OG1-CG2 3.21Å; L22-I38 HydrophobicContact CD1-CG2 4.45Å; L22-I38 HydrophobicContact CD2-CD1 3.63Å; L22-I38 HydrophobicContact CD2-CG1 4.33Å; Y36-I38 HydrophobicContact CD2-CD1 3.89Å; Y36-I38 HydrophobicContact CD2-CG1 3.95Å; Y36-I38 HydrophobicContact CE2-CD1 3.83Å; Y36-I38 HydrophobicContact CE2-CG1 3.72Å |
| 39 | D | 98.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 88.2 | 172.6 | -172.5 | 6.4 | 0 | 0 | 0 | 109.4 | K4 I5 V6 T7 K41 | K4-D39 WeakPolarHBondContact CE-OD2 3.48Å; K4-D39 IonicContact NZ-OD2 3.72Å; K4-D39 PolarHBondContact NZ-OD2 2.84Å; I5-D39 PolarHBondContact O-N 3.45Å; V6-D39 WeakPolarHBondContact CA-O 3.35Å; V6-D39 HydrophobicContact CG2-CB 4.09Å; T7-D39 PolarHBondContact N-O 3.3Å; D39-K41 WeakPolarHBondContact OD1-CE 3.37Å; D39-K41 IonicContact OD1-NZ 3.28Å; D39-K41 PolarHBondContact OD1-NZ 3.12Å; D39-K41 IonicContact OD2-NZ 3.4Å |
| 40 | A | 98.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T7 | T7-A40 VanDerWaalsContact OG1-CA 3.3Å; T7-A40 WeakPolarHBondContact OG1-CA 3.07Å; T7-A40 WeakPolarHBondContact OG1-CB 3.48Å |
| 41 | K | 98.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | trans | -135 | 145.5 | -177.1 | -66.9 | -64.3 | -172.6 | -125.6 | 0 | 113.1 | V6 T7 L8 D39 T59 A62 | V6-K41 HydrophobicContact CG1-CG 4.32Å; T7-K41 PolarHBondContact O-N 3.34Å; L8-K41 HydrophobicContact CD2-CB 3.79Å; D39-K41 WeakPolarHBondContact OD1-CE 3.37Å; D39-K41 IonicContact OD1-NZ 3.28Å; D39-K41 PolarHBondContact OD1-NZ 3.12Å; D39-K41 IonicContact OD2-NZ 3.4Å; K41-T59 HydrophobicContact CB-CG2 3.78Å; K41-A62 HydrophobicContact CD-CB 4.24Å; K41-A62 VanDerWaalsContact CE-CB 3.45Å; K41-A62 HydrophobicContact CG-CB 3.9Å | ||
| 42 | P | 98.2 | Very high | 97.4 | Very high | 35 Ų | 35 | 48 Ų | 48 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | trans | -70.1 | 136.1 | 174.7 | 28.5 | -32.3 | 0 | 0 | 0 | 110.7 | A50 P56 T59 | P42-A50 HydrophobicContact CB-CB 4.04Å; P42-A50 HydrophobicContact CG-CB 4.16Å; P42-P56 HydrophobicContact CG-CG 4.19Å; P42-P56 WeakPolarHBondContact O-CD 3.04Å; P42-T59 WeakPolarHBondContact O-CG2 3.29Å; P42-T59 PolarHBondContact O-OG1 3.45Å | ||
| 43 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -152.2 | 157.9 | -179.2 | -175.9 | -101.3 | 0 | 0 | 0 | 110.5 | L8 A46 G47 P54 L55 T59 L71 I74 G89 L90 I93 | L8-F43 HydrophobicContact CB-CB 3.9Å; L8-F43 HydrophobicContact CB-CD1 4.33Å; L8-F43 HydrophobicContact CB-CG 4.22Å; L8-F43 HydrophobicContact CD1-CB 4.25Å; L8-F43 HydrophobicContact CD1-CD1 4.32Å; L8-F43 HydrophobicContact CD1-CD2 4.1Å; L8-F43 HydrophobicContact CD1-CG 3.95Å; L8-F43 HydrophobicContact CD2-CB 4.06Å; L8-F43 HydrophobicContact CG-CB 4.28Å; L8-F43 HydrophobicContact CG-CG 4.49Å; F43-A46 PolarHBondContact O-N 3.12Å; F43-G47 PolarHBondContact O-N 3.23Å; F43-P54 CarbonylContact C-O 3.57Å; F43-P54 WeakPolarHBondContact CA-O 3.24Å; F43-P54 VanDerWaalsContact CD2-O 3.31Å; F43-P54 WeakPolarHBondContact CD2-O 3.46Å; F43-L55 HydrophobicContact CD2-CB 4.45Å; F43-L55 HydrophobicContact CD2-CD1 3.89Å; F43-L55 HydrophobicContact CE2-CB 4.15Å; F43-L55 HydrophobicContact CE2-CD1 3.83Å; F43-L55 HydrophobicContact CE2-CG 4.48Å; F43-T59 HydrophobicContact CB-CG2 4.44Å; F43-T59 HydrophobicContact CD2-CG2 4.28Å; F43-L71 HydrophobicContact CD1-CD1 3.81Å; F43-L71 HydrophobicContact CD1-CG 4.49Å; F43-L71 HydrophobicContact CE1-CD1 3.41Å; F43-L71 VanDerWaalsContact CE1-CD1 3.41Å; F43-L71 HydrophobicContact CE1-CG 4.45Å; F43-L71 HydrophobicContact CZ-CD1 4.13Å; F43-I74 HydrophobicContact CD1-CG2 3.56Å; F43-I74 HydrophobicContact CE1-CD1 4.45Å; F43-I74 HydrophobicContact CE1-CG2 3.59Å; F43-G89 VanDerWaalsContact CZ-C 3.48Å; F43-L90 HydrophobicContact CZ-CB 4.45Å; F43-I93 HydrophobicContact CE2-CB 4.29Å; F43-I93 HydrophobicContact CE2-CD1 4.4Å; F43-I93 HydrophobicContact CE2-CG2 4.1Å; F43-I93 HydrophobicContact CZ-CG2 3.93Å | ||
| 44 | G | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -136.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | A46 G47 I48 P54 | G44-A46 VanDerWaalsContact C-N 3.33Å; G44-A46 PolarHBondContact O-N 2.93Å; G44-G47 WeakPolarHBondContact O-CA 3.42Å; G44-G47 PolarHBondContact O-N 3.34Å; G44-I48 PolarHBondContact O-N 2.99Å; G44-I48 VanDerWaalsContact O-N 3.08Å; G44-P54 PolarHBondContact N-O 3.4Å; G44-P54 VanDerWaalsContact O-CA 3.28Å; G44-P54 WeakPolarHBondContact O-CA 3.34Å |
| 45 | G | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D11 G47 I48 D49 Y79 | D11-G45 VanDerWaalsContact CG-N 3.33Å; D11-G45 VanDerWaalsContact OD1-C 3.28Å; D11-G45 WeakPolarHBondContact OD1-CA 3.19Å; D11-G45 PolarHBondContact OD1-N 3.07Å; D11-G45 VanDerWaalsContact OD1-N 3.15Å; D11-G45 WeakPolarHBondContact OD2-CA 3.45Å; D11-G45 PolarHBondContact OD2-N 2.89Å; G45-G47 PolarHBondContact O-N 2.94Å; G45-I48 WeakPolarHBondContact O-CA 3.47Å; G45-I48 WeakPolarHBondContact O-CB 3.37Å; G45-I48 PolarHBondContact O-N 3.41Å; G45-D49 PolarHBondContact O-N 2.91Å; G45-Y79 VanDerWaalsContact C-OH 3.27Å; G45-Y79 WeakPolarHBondContact CA-OH 3.4Å; G45-Y79 PolarHBondContact O-OH 3.32Å |
| 46 | A | 97.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -33 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D11 F43 G44 A50 | D11-A46 PolarHBondContact OD1-N 3.44Å; F43-A46 PolarHBondContact O-N 3.12Å; G44-A46 VanDerWaalsContact C-N 3.33Å; G44-A46 PolarHBondContact O-N 2.93Å; A46-A50 VanDerWaalsContact O-CB 3.28Å; A46-A50 WeakPolarHBondContact O-CB 3.38Å; A46-A50 PolarHBondContact O-N 2.88Å |
| 47 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | F43 G44 G45 D49 A50 S51 H53 | F43-G47 PolarHBondContact O-N 3.23Å; G44-G47 WeakPolarHBondContact O-CA 3.42Å; G44-G47 PolarHBondContact O-N 3.34Å; G45-G47 PolarHBondContact O-N 2.94Å; G47-D49 VanDerWaalsContact C-N 3.34Å; G47-A50 PolarHBondContact O-N 3.28Å; G47-S51 PolarHBondContact O-N 3.05Å; G47-S51 PolarHBondContact O-OG 2.9Å; G47-H53 CarbonylContact C-O 3.53Å |
| 48 | I | 97.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.4 | -63.5 | 169.9 | 0 | 0 | 0 | 110 | G44 G45 A50 G52 H53 P54 Y79 V84 P86 | G44-I48 PolarHBondContact O-N 2.99Å; G44-I48 VanDerWaalsContact O-N 3.08Å; G45-I48 WeakPolarHBondContact O-CA 3.47Å; G45-I48 WeakPolarHBondContact O-CB 3.37Å; G45-I48 PolarHBondContact O-N 3.41Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.43Å; I48-G52 WeakPolarHBondContact O-CA 3.15Å; I48-G52 PolarHBondContact O-N 3.35Å; I48-H53 PolarHBondContact N-O 2.69Å; I48-P54 HydrophobicContact CD1-CB 4.13Å; I48-P54 HydrophobicContact CG1-CB 3.87Å; I48-P54 HydrophobicContact CG1-CG 4.41Å; I48-Y79 HydrophobicContact CB-CE1 4.42Å; I48-Y79 HydrophobicContact CD1-CD1 4.08Å; I48-Y79 HydrophobicContact CD1-CE1 4.27Å; I48-Y79 HydrophobicContact CG2-CE1 4.4Å; I48-V84 HydrophobicContact CD1-CG1 4.12Å; I48-V84 HydrophobicContact CG1-CG1 4.12Å; I48-P86 HydrophobicContact CD1-CG 4.06Å |
| 49 | D | 96.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | -179.5 | -73.6 | -15.3 | 0 | 0 | 0 | 112.5 | G45 G47 K78 Y79 | G45-D49 PolarHBondContact O-N 2.91Å; G47-D49 VanDerWaalsContact C-N 3.34Å; D49-K78 WeakPolarHBondContact OD1-CE 3.37Å; D49-K78 IonicContact OD1-NZ 2.73Å; D49-K78 PolarHBondContact OD1-NZ 3Å; D49-K78 IonicContact OD2-NZ 2.99Å; D49-K78 PolarHBondContact OD2-NZ 3Å; D49-Y79 PolarHBondContact OD2-OH 3.49Å |
| 50 | A | 96.2 | Very high | 97.5 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -77.7 | -36.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P42 A46 G47 I48 | P42-A50 HydrophobicContact CB-CB 4.04Å; P42-A50 HydrophobicContact CG-CB 4.16Å; A46-A50 VanDerWaalsContact O-CB 3.28Å; A46-A50 WeakPolarHBondContact O-CB 3.38Å; A46-A50 PolarHBondContact O-N 2.88Å; G47-A50 PolarHBondContact O-N 3.28Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.43Å |
| 51 | S | 95.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -144.3 | 1.9 | -166.4 | 73.2 | 0 | 0 | 0 | 0 | 115.9 | G47 H53 P56 | G47-S51 PolarHBondContact O-N 3.05Å; G47-S51 PolarHBondContact O-OG 2.9Å; S51-H53 VanDerWaalsContact C-N 3.29Å; S51-H53 PolarHBondContact O-N 2.73Å; S51-H53 PolarHBondContact OG-O 2.97Å; S51-P56 WeakPolarHBondContact OG-CB 3.45Å; S51-P56 VanDerWaalsContact OG-CG 3.3Å; S51-P56 WeakPolarHBondContact OG-CG 3.39Å |
| 52 | G | 95.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 41 Ų | 41 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 79.9 | 1.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I48 | I48-G52 WeakPolarHBondContact O-CA 3.15Å; I48-G52 PolarHBondContact O-N 3.35Å |
| 53 | H | 97 | Very high | 97.5 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 39% | 0.389 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -138 | 137.7 | 178.6 | -168.6 | -92.1 | 0 | 0 | 0 | 111.6 | G47 I48 S51 L55 P56 | G47-H53 CarbonylContact C-O 3.53Å; I48-H53 PolarHBondContact N-O 2.69Å; S51-H53 VanDerWaalsContact C-N 3.29Å; S51-H53 PolarHBondContact O-N 2.73Å; S51-H53 PolarHBondContact OG-O 2.97Å; H53-L55 VanDerWaalsContact ND1-C 3.34Å; H53-L55 PolarHBondContact ND1-N 2.92Å; H53-L55 VanDerWaalsContact ND1-N 3.14Å; H53-L55 PolarHBondContact ND1-O 2.74Å; H53-L55 PolarHBondContact O-N 2.93Å; H53-P56 WeakPolarHBondContact O-CD 3.44Å |
| 54 | P | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69.4 | -18 | -174.1 | 29.2 | -38.7 | 0 | 0 | 0 | 114.2 | F43 G44 I48 V84 R85 Q88 | F43-P54 CarbonylContact C-O 3.57Å; F43-P54 WeakPolarHBondContact CA-O 3.24Å; F43-P54 VanDerWaalsContact CD2-O 3.31Å; F43-P54 WeakPolarHBondContact CD2-O 3.46Å; G44-P54 PolarHBondContact N-O 3.4Å; G44-P54 VanDerWaalsContact O-CA 3.28Å; G44-P54 WeakPolarHBondContact O-CA 3.34Å; I48-P54 HydrophobicContact CD1-CB 4.13Å; I48-P54 HydrophobicContact CG1-CB 3.87Å; I48-P54 HydrophobicContact CG1-CG 4.41Å; P54-V84 VanDerWaalsContact CD-CG1 3.41Å; P54-V84 HydrophobicContact CG-CG1 4.26Å; P54-R85 WeakPolarHBondContact CG-O 3.05Å; P54-Q88 HydrophobicContact CG-CB 4.26Å |
| 55 | L | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -123.3 | 84.6 | 169.9 | 177.3 | 60.9 | 0 | 0 | 0 | 108.5 | F43 H53 T59 L60 A92 I93 | F43-L55 HydrophobicContact CD2-CB 4.45Å; F43-L55 HydrophobicContact CD2-CD1 3.89Å; F43-L55 HydrophobicContact CE2-CB 4.15Å; F43-L55 HydrophobicContact CE2-CD1 3.83Å; F43-L55 HydrophobicContact CE2-CG 4.48Å; H53-L55 VanDerWaalsContact ND1-C 3.34Å; H53-L55 PolarHBondContact ND1-N 2.92Å; H53-L55 VanDerWaalsContact ND1-N 3.14Å; H53-L55 PolarHBondContact ND1-O 2.74Å; H53-L55 PolarHBondContact O-N 2.93Å; L55-T59 HydrophobicContact CD1-CG2 3.9Å; L55-L60 HydrophobicContact CD1-CB 4.07Å; L55-L60 HydrophobicContact CD2-CB 4.39Å; L55-L60 HydrophobicContact CD2-CD1 4.33Å; L55-L60 HydrophobicContact CG-CB 4.16Å; L55-A92 HydrophobicContact CD2-CB 3.8Å; L55-I93 HydrophobicContact CD1-CB 4.31Å; L55-I93 HydrophobicContact CD1-CD1 4.2Å; L55-I93 HydrophobicContact CD1-CG1 4.45Å; L55-I93 HydrophobicContact CD2-CB 3.87Å |
| 56 | P | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | trans | -56.2 | 150 | 176.1 | -22.4 | 32.5 | 0 | 0 | 0 | 110.9 | P42 S51 H53 E58 T59 L60 | P42-P56 HydrophobicContact CG-CG 4.19Å; P42-P56 WeakPolarHBondContact O-CD 3.04Å; S51-P56 WeakPolarHBondContact OG-CB 3.45Å; S51-P56 VanDerWaalsContact OG-CG 3.3Å; S51-P56 WeakPolarHBondContact OG-CG 3.39Å; H53-P56 WeakPolarHBondContact O-CD 3.44Å; P56-E58 VanDerWaalsContact C-N 3.28Å; P56-E58 HydrophobicContact CB-CG 4.06Å; P56-E58 PolarHBondContact O-N 3.1Å; P56-T59 WeakPolarHBondContact O-CB 3.42Å; P56-T59 PolarHBondContact O-N 2.8Å; P56-L60 PolarHBondContact O-N 2.78Å | ||
| 57 | K | 97.5 | Very high | 97.4 | Very high | 161 Ų | 161 | 50.2 Ų | 50.2 | 70% | 0.7 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.3 | -43.2 | -179 | -177.7 | -178.3 | 174.3 | -171.8 | 0 | 111.9 | T59 L60 D61 | K57-T59 VanDerWaalsContact C-N 3.26Å; K57-T59 PolarHBondContact O-N 2.82Å; K57-L60 PolarHBondContact O-N 3.12Å; K57-D61 WeakPolarHBondContact CE-OD2 3.41Å; K57-D61 WeakPolarHBondContact O-CB 3.28Å; K57-D61 PolarHBondContact O-N 2.7Å |
| 58 | E | 97.7 | Very high | 97.5 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 177 | 60.9 | 178.3 | -169.8 | 0 | 0 | 113 | P56 A62 | P56-E58 VanDerWaalsContact C-N 3.28Å; P56-E58 HydrophobicContact CB-CG 4.06Å; P56-E58 PolarHBondContact O-N 3.1Å; E58-A62 VanDerWaalsContact O-CB 3.26Å; E58-A62 WeakPolarHBondContact O-CB 3.18Å; E58-A62 PolarHBondContact O-N 2.85Å |
| 59 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | L8 K41 P42 F43 L55 P56 K57 A62 A63 | L8-T59 HydrophobicContact CD2-CG2 3.57Å; K41-T59 HydrophobicContact CB-CG2 3.78Å; P42-T59 WeakPolarHBondContact O-CG2 3.29Å; P42-T59 PolarHBondContact O-OG1 3.45Å; F43-T59 HydrophobicContact CB-CG2 4.44Å; F43-T59 HydrophobicContact CD2-CG2 4.28Å; L55-T59 HydrophobicContact CD1-CG2 3.9Å; P56-T59 WeakPolarHBondContact O-CB 3.42Å; P56-T59 PolarHBondContact O-N 2.8Å; K57-T59 VanDerWaalsContact C-N 3.26Å; K57-T59 PolarHBondContact O-N 2.82Å; T59-A62 PolarHBondContact O-N 3.25Å; T59-A63 VanDerWaalsContact O-CB 3.24Å; T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 2.92Å |
| 60 | L | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 176.8 | 178.9 | 57.8 | 0 | 0 | 0 | 112.2 | L55 P56 K57 A62 A63 K64 A96 L97 | L55-L60 HydrophobicContact CD1-CB 4.07Å; L55-L60 HydrophobicContact CD2-CB 4.39Å; L55-L60 HydrophobicContact CD2-CD1 4.33Å; L55-L60 HydrophobicContact CG-CB 4.16Å; P56-L60 PolarHBondContact O-N 2.78Å; K57-L60 PolarHBondContact O-N 3.12Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A63 PolarHBondContact O-N 3Å; L60-K64 HydrophobicContact CD1-CD 4.44Å; L60-K64 HydrophobicContact CD1-CG 4.27Å; L60-K64 HydrophobicContact CG-CD 4.36Å; L60-K64 WeakPolarHBondContact O-CG 3.49Å; L60-K64 PolarHBondContact O-N 2.89Å; L60-A96 HydrophobicContact CD1-CB 3.68Å; L60-A96 HydrophobicContact CD2-CB 4.17Å; L60-L97 HydrophobicContact CD1-CD2 4.47Å |
| 61 | D | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.9 | -70.5 | -19.1 | 0 | 0 | 0 | 110.7 | K57 S65 | K57-D61 WeakPolarHBondContact CE-OD2 3.41Å; K57-D61 WeakPolarHBondContact O-CB 3.28Å; K57-D61 PolarHBondContact O-N 2.7Å; D61-S65 PolarHBondContact O-N 2.96Å; D61-S65 PolarHBondContact O-OG 3.13Å |
| 62 | A | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V6 K41 E58 T59 L60 K64 S65 A66 | V6-A62 HydrophobicContact CG2-CB 4.02Å; K41-A62 HydrophobicContact CD-CB 4.24Å; K41-A62 VanDerWaalsContact CE-CB 3.45Å; K41-A62 HydrophobicContact CG-CB 3.9Å; E58-A62 VanDerWaalsContact O-CB 3.26Å; E58-A62 WeakPolarHBondContact O-CB 3.18Å; E58-A62 PolarHBondContact O-N 2.85Å; T59-A62 PolarHBondContact O-N 3.25Å; L60-A62 VanDerWaalsContact C-N 3.35Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.34Å; A62-S65 CarbonylContact O-C 3.46Å; A62-S65 PolarHBondContact O-N 3.35Å; A62-S65 PolarHBondContact O-OG 2.96Å; A62-A66 PolarHBondContact O-N 2.88Å; A62-A66 VanDerWaalsContact O-N 3.13Å |
| 63 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T59 L60 S65 A66 I69 I93 L97 P266 | T59-A63 VanDerWaalsContact O-CB 3.24Å; T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 2.92Å; L60-A63 PolarHBondContact O-N 3Å; A63-S65 PolarHBondContact O-N 3.35Å; A63-A66 WeakPolarHBondContact O-CB 3.47Å; A63-A66 PolarHBondContact O-N 3.03Å; A63-I69 HydrophobicContact CB-CD1 3.79Å; A63-I69 HydrophobicContact CB-CG1 4.4Å; A63-I93 HydrophobicContact CB-CD1 4.1Å; A63-L97 HydrophobicContact CB-CD1 4.18Å; A63-P266 WeakPolarHBondContact O-CG 3.36Å |
| 64 | K | 97.2 | Very high | 97.9 | Very high | 115 Ų | 115 | 33.4 Ų | 33.4 | 50% | 0.5 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.4 | -28.4 | 175.1 | -77.1 | 174.9 | 177.5 | 175 | 0 | 113.8 | L60 A62 L97 | L60-K64 HydrophobicContact CD1-CD 4.44Å; L60-K64 HydrophobicContact CD1-CG 4.27Å; L60-K64 HydrophobicContact CG-CD 4.36Å; L60-K64 WeakPolarHBondContact O-CG 3.49Å; L60-K64 PolarHBondContact O-N 2.89Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.34Å; K64-L97 HydrophobicContact CB-CD2 4.33Å; K64-L97 HydrophobicContact CG-CD2 3.52Å |
| 65 | S | 96 | Very high | 97.7 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3.4 | 180 | 72.3 | 0 | 0 | 0 | 0 | 114 | K4 D61 A62 A63 | K4-S65 PolarHBondContact NZ-OG 2.86Å; D61-S65 PolarHBondContact O-N 2.96Å; D61-S65 PolarHBondContact O-OG 3.13Å; A62-S65 CarbonylContact O-C 3.46Å; A62-S65 PolarHBondContact O-N 3.35Å; A62-S65 PolarHBondContact O-OG 2.96Å; A63-S65 PolarHBondContact O-N 3.35Å |
| 66 | A | 98 | Very high | 97.5 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | trans | -79.6 | 153.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.5 | V6 A62 A63 A68 I69 | V6-A66 HydrophobicContact CB-CB 4.09Å; V6-A66 HydrophobicContact CG2-CB 3.66Å; A62-A66 PolarHBondContact O-N 2.88Å; A62-A66 VanDerWaalsContact O-N 3.13Å; A63-A66 WeakPolarHBondContact O-CB 3.47Å; A63-A66 PolarHBondContact O-N 3.03Å; A66-A68 WeakPolarHBondContact CB-O 3.29Å; A66-I69 HydrophobicContact CB-CG1 4.17Å | ||
| 67 | D | 98 | Very high | 97.2 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -81 | -32.3 | 165.2 | -63.3 | -67.8 | 0 | 0 | 0 | 111 | K3 K4 F302 | K3-D67 WeakPolarHBondContact CA-OD2 3.36Å; K4-D67 PolarHBondContact N-OD2 3.31Å; K4-D67 PolarHBondContact O-N 3Å; D67-F302 HydrophobicContact CB-CE1 3.62Å; D67-F302 HydrophobicContact CB-CZ 4.11Å |
| 68 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 157.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K4 I5 V6 A66 Y269 M297 F302 | K4-A68 PolarHBondContact O-N 3.36Å; I5-A68 WeakPolarHBondContact CA-O 3.09Å; V6-A68 PolarHBondContact N-O 3.46Å; A66-A68 WeakPolarHBondContact CB-O 3.29Å; A68-Y269 HydrophobicContact CB-CE2 4.2Å; A68-M297 HydrophobicContact CB-CG 3.66Å; A68-M297 HydrophobicContact CB-SD 3.7Å; A68-F302 HydrophobicContact CB-CE2 3.96Å; A68-F302 HydrophobicContact CB-CZ 3.61Å |
| 69 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131 | 178 | -57.7 | 159 | 0 | 0 | 0 | 108.6 | V6 L8 A63 A66 L97 P266 S267 L268 Y269 | V6-I69 HydrophobicContact CB-CG1 4.35Å; V6-I69 CarbonylContact O-C 3.6Å; V6-I69 WeakPolarHBondContact O-CA 3.45Å; L8-I69 HydrophobicContact CD1-CG2 3.77Å; L8-I69 HydrophobicContact CG-CG2 4.01Å; A63-I69 HydrophobicContact CB-CD1 3.79Å; A63-I69 HydrophobicContact CB-CG1 4.4Å; A66-I69 HydrophobicContact CB-CG1 4.17Å; I69-L97 HydrophobicContact CD1-CD1 3.45Å; I69-L97 VanDerWaalsContact CD1-CD1 3.45Å; I69-P266 HydrophobicContact CD1-CB 4.08Å; I69-P266 HydrophobicContact CD1-CG 4.04Å; I69-P266 HydrophobicContact CG1-CB 4.34Å; I69-S267 PolarHBondContact N-O 3.21Å; I69-L268 HydrophobicContact CB-CB 4.24Å; I69-L268 HydrophobicContact CB-CG 4.29Å; I69-L268 HydrophobicContact CG2-CD1 4.04Å; I69-L268 HydrophobicContact CG2-CG 4.09Å; I69-L268 CarbonylContact O-C 3.42Å; I69-L268 WeakPolarHBondContact O-CA 3.2Å; I69-Y269 PolarHBondContact O-N 3.07Å |
| 70 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.3 | 167.7 | -73.2 | 170.1 | 0 | 0 | 0 | 108.7 | I5 V6 T7 L8 M18 L22 M290 V294 M297 | I5-L70 HydrophobicContact CG2-CD1 3.98Å; I5-L70 HydrophobicContact CG2-CG 4.22Å; V6-L70 PolarHBondContact O-N 3.04Å; T7-L70 CarbonylContact C-O 3.53Å; T7-L70 WeakPolarHBondContact CA-O 3.43Å; T7-L70 HydrophobicContact CG2-CB 4.32Å; T7-L70 HydrophobicContact CG2-CD1 4.43Å; L8-L70 PolarHBondContact N-O 2.83Å; M18-L70 HydrophobicContact CE-CB 3.93Å; M18-L70 WeakPolarHBondContact CE-O 3.36Å; M18-L70 HydrophobicContact SD-CB 4.13Å; L22-L70 HydrophobicContact CD2-CD1 4.3Å; L70-M290 HydrophobicContact CB-CE 3.77Å; L70-M290 HydrophobicContact CD1-CE 4.16Å; L70-M290 HydrophobicContact CD2-CE 3.56Å; L70-M290 HydrophobicContact CG-CE 4.02Å; L70-V294 HydrophobicContact CD1-CG2 4.01Å; L70-V294 HydrophobicContact CD2-CG2 4.15Å; L70-M297 HydrophobicContact CD1-CE 3.91Å; L70-M297 HydrophobicContact CD1-SD 3.95Å; L70-M297 HydrophobicContact CD2-CB 4.42Å; L70-M297 HydrophobicContact CD2-CE 4.38Å; L70-M297 HydrophobicContact CD2-SD 3.9Å; L70-M297 HydrophobicContact CG-CE 4.3Å; L70-M297 HydrophobicContact CG-SD 3.7Å |
| 71 | L | 98.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133 | 175.1 | -180 | 156.8 | 0 | 0 | 0 | 108.6 | L8 F43 L90 L268 Y269 E270 P271 | L8-L71 HydrophobicContact CB-CB 4.23Å; L8-L71 HydrophobicContact CB-CG 4.29Å; L8-L71 HydrophobicContact CD1-CD1 4.33Å; L8-L71 WeakPolarHBondContact O-CA 3.27Å; F43-L71 HydrophobicContact CD1-CD1 3.81Å; F43-L71 HydrophobicContact CD1-CG 4.49Å; F43-L71 HydrophobicContact CE1-CD1 3.41Å; F43-L71 VanDerWaalsContact CE1-CD1 3.41Å; F43-L71 HydrophobicContact CE1-CG 4.45Å; F43-L71 HydrophobicContact CZ-CD1 4.13Å; L71-L90 HydrophobicContact CD1-CD1 4.09Å; L71-L268 HydrophobicContact CB-CD1 4.36Å; L71-L268 HydrophobicContact CB-CD2 4.09Å; L71-L268 HydrophobicContact CB-CG 4.28Å; L71-L268 HydrophobicContact CD1-CD1 4.12Å; L71-Y269 PolarHBondContact N-O 3.06Å; L71-E270 HydrophobicContact CB-CB 4.18Å; L71-E270 HydrophobicContact CD2-CB 3.94Å; L71-E270 WeakPolarHBondContact CD2-OE2 3.34Å; L71-E270 VanDerWaalsContact O-CA 3.26Å; L71-E270 WeakPolarHBondContact O-CA 3.44Å; L71-E270 WeakPolarHBondContact O-CB 3.37Å; L71-P271 WeakPolarHBondContact O-CD 3.42Å |
| 72 | A | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -74.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 A9 G14 I17 M18 P271 M290 | L8-A72 PolarHBondContact O-N 2.89Å; A9-A72 WeakPolarHBondContact O-CB 3.48Å; G14-A72 WeakPolarHBondContact O-CB 3.29Å; I17-A72 HydrophobicContact CD1-CB 3.97Å; I17-A72 HydrophobicContact CG1-CB 3.85Å; M18-A72 HydrophobicContact CB-CB 4.31Å; M18-A72 HydrophobicContact CE-CB 4Å; A72-P271 WeakPolarHBondContact O-CD 3.4Å; A72-M290 HydrophobicContact CB-SD 4.1Å |
| 73 | A | 96.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 156.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | G10 D11 | G10-A73 CarbonylContact C-O 3.56Å; G10-A73 VanDerWaalsContact CA-O 3.23Å; G10-A73 WeakPolarHBondContact CA-O 3.18Å; D11-A73 PolarHBondContact N-O 2.97Å |
| 74 | I | 96.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | trans | -133.1 | 157.8 | 176.6 | 59.2 | 166.5 | 0 | 0 | 0 | 111.4 | D11 F43 P86 L90 | D11-I74 WeakPolarHBondContact OD2-CA 3.31Å; F43-I74 HydrophobicContact CD1-CG2 3.56Å; F43-I74 HydrophobicContact CE1-CD1 4.45Å; F43-I74 HydrophobicContact CE1-CG2 3.59Å; I74-P86 HydrophobicContact CB-CB 4.09Å; I74-P86 HydrophobicContact CD1-CB 4.31Å; I74-L90 HydrophobicContact CD1-CB 3.72Å; I74-L90 HydrophobicContact CD1-CD2 4.1Å; I74-L90 HydrophobicContact CD1-CG 4.44Å | ||
| 75 | G | 93.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | trans | 99.8 | 167.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D11 S275 | D11-G75 WeakPolarHBondContact CB-O 3.33Å; D11-G75 PolarHBondContact OD2-N 3.42Å; G75-S275 WeakPolarHBondContact O-CB 3.33Å; G75-S275 PolarHBondContact O-OG 2.9Å | ||
| 76 | G | 92.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | trans | 164.8 | 162.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K78 Y79 | G76-K78 PolarHBondContact O-N 2.84Å; G76-Y79 WeakPolarHBondContact O-CD2 3.27Å; G76-Y79 PolarHBondContact O-N 3.22Å | ||
| 77 | P | 93.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 47.5 Ų | 47.5 | 60% | 0.597 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -60.5 | -19 | -170.7 | 23.2 | -35 | 0 | 0 | 0 | 114 | Y79 | P77-Y79 PolarHBondContact O-N 2.97Š|
| 78 | K | 92 | Very high | 93.9 | Very high | 133 Ų | 133 | 48 Ų | 48 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -58.7 | -26.1 | 173 | 179.4 | 175.9 | 168.1 | -174.4 | 0 | 113.1 | D49 G76 | D49-K78 WeakPolarHBondContact OD1-CE 3.37Å; D49-K78 IonicContact OD1-NZ 2.73Å; D49-K78 PolarHBondContact OD1-NZ 3Å; D49-K78 IonicContact OD2-NZ 2.99Å; D49-K78 PolarHBondContact OD2-NZ 3Å; G76-K78 PolarHBondContact O-N 2.84Å |
| 79 | Y | 92 | Very high | 93.8 | Very high | 17 Ų | 17 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -110.4 | -2 | -169.9 | -48.4 | -70.3 | 0 | 0 | 0 | 114.5 | G45 I48 D49 G76 P77 N81 A82 P86 | G45-Y79 VanDerWaalsContact C-OH 3.27Å; G45-Y79 WeakPolarHBondContact CA-OH 3.4Å; G45-Y79 PolarHBondContact O-OH 3.32Å; I48-Y79 HydrophobicContact CB-CE1 4.42Å; I48-Y79 HydrophobicContact CD1-CD1 4.08Å; I48-Y79 HydrophobicContact CD1-CE1 4.27Å; I48-Y79 HydrophobicContact CG2-CE1 4.4Å; D49-Y79 PolarHBondContact OD2-OH 3.49Å; G76-Y79 WeakPolarHBondContact O-CD2 3.27Å; G76-Y79 PolarHBondContact O-N 3.22Å; P77-Y79 PolarHBondContact O-N 2.97Å; Y79-N81 PolarHBondContact O-N 3.03Å; Y79-N81 VanDerWaalsContact O-N 3.1Å; Y79-A82 WeakPolarHBondContact O-CB 3.41Å; Y79-A82 PolarHBondContact O-N 3.32Å; Y79-P86 HydrophobicContact CD1-CG 4.43Å; Y79-P86 HydrophobicContact CD2-CG 3.57Å; Y79-P86 HydrophobicContact CE2-CG 4.09Å; Y79-P86 HydrophobicContact CG-CG 3.77Å |
| 80 | D | 88.3 | Confident | 93.5 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34.9 | -171.1 | -68.9 | -10 | 0 | 0 | 0 | 113.7 | ||
| 81 | N | 87.2 | Confident | 93.2 | Very high | 164 Ų | 164 | 52.6 Ų | 52.6 | 88% | 0.877 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 14 | -179.7 | -61.8 | -55.2 | 0 | 0 | 0 | 113.1 | Y79 | Y79-N81 PolarHBondContact O-N 3.03Å; Y79-N81 VanDerWaalsContact O-N 3.1Å |
| 82 | A | 88.7 | Confident | 93 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | trans | -80.5 | 142.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y79 V84 R85 | Y79-A82 WeakPolarHBondContact O-CB 3.41Å; Y79-A82 PolarHBondContact O-N 3.32Å; A82-V84 VanDerWaalsContact C-N 3.26Å; A82-V84 VanDerWaalsContact CB-O 3.3Å; A82-V84 WeakPolarHBondContact CB-O 3.3Å; A82-V84 PolarHBondContact O-N 3.08Å; A82-R85 WeakPolarHBondContact O-CG 3.34Å | ||
| 83 | P | 89.2 | Confident | 92.9 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 79% | 0.786 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -66.9 | -32.2 | 174.9 | 26.7 | -33.9 | 0 | 0 | 0 | 112 | Q88 | P83-Q88 PolarHBondContact O-NE2 3.33Š|
| 84 | V | 92.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -105.2 | 120 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | I48 P54 A82 | I48-V84 HydrophobicContact CD1-CG1 4.12Å; I48-V84 HydrophobicContact CG1-CG1 4.12Å; P54-V84 VanDerWaalsContact CD-CG1 3.41Å; P54-V84 HydrophobicContact CG-CG1 4.26Å; A82-V84 VanDerWaalsContact C-N 3.26Å; A82-V84 VanDerWaalsContact CB-O 3.3Å; A82-V84 WeakPolarHBondContact CB-O 3.3Å; A82-V84 PolarHBondContact O-N 3.08Å |
| 85 | R | 95.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | trans | -123.6 | 151.4 | -174.1 | -56 | 176.4 | 47.3 | 163.2 | 4 | 112.5 | P54 A82 E87 Q88 | P54-R85 WeakPolarHBondContact CG-O 3.05Å; A82-R85 WeakPolarHBondContact O-CG 3.34Å; R85-E87 WeakPolarHBondContact CB-OE2 3.47Å; R85-E87 IonicContact CZ-OE1 2.8Å; R85-E87 IonicContact CZ-OE2 3.74Å; R85-E87 IonicContact NE-OE1 2.78Å; R85-E87 PolarHBondContact NE-OE1 3.02Å; R85-E87 IonicContact NE-OE2 2.68Å; R85-E87 PolarHBondContact NE-OE2 3.02Å; R85-E87 IonicContact NH2-OE1 3.93Å; R85-E87 PolarHBondContact NH2-OE1 3.04Å; R85-E87 IonicContact NH2-OE2 2.93Å; R85-E87 PolarHBondContact O-N 3.49Å; R85-Q88 VanDerWaalsContact O-CB 3.31Å; R85-Q88 WeakPolarHBondContact O-CB 3.16Å; R85-Q88 PolarHBondContact O-N 3.47Å; R85-Q88 VanDerWaalsContact O-N 3.11Å | ||
| 86 | P | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54 | -36 | -178.2 | -31.3 | 40 | 0 | 0 | 0 | 114.7 | I48 I74 Y79 Q88 G89 | I48-P86 HydrophobicContact CD1-CG 4.06Å; I74-P86 HydrophobicContact CB-CB 4.09Å; I74-P86 HydrophobicContact CD1-CB 4.31Å; Y79-P86 HydrophobicContact CD1-CG 4.43Å; Y79-P86 HydrophobicContact CD2-CG 3.57Å; Y79-P86 HydrophobicContact CE2-CG 4.09Å; Y79-P86 HydrophobicContact CG-CG 3.77Å; P86-Q88 PolarHBondContact O-N 3.47Å; P86-G89 WeakPolarHBondContact O-CA 3.34Å; P86-G89 PolarHBondContact O-N 2.83Å |
| 87 | E | 92.4 | Very high | 93 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -26.5 | -176.5 | -42.1 | 82 | 176.7 | 0 | 0 | 112 | R85 G89 L90 L91 | R85-E87 WeakPolarHBondContact CB-OE2 3.47Å; R85-E87 IonicContact CZ-OE1 2.8Å; R85-E87 IonicContact CZ-OE2 3.74Å; R85-E87 IonicContact NE-OE1 2.78Å; R85-E87 PolarHBondContact NE-OE1 3.02Å; R85-E87 IonicContact NE-OE2 2.68Å; R85-E87 PolarHBondContact NE-OE2 3.02Å; R85-E87 IonicContact NH2-OE1 3.93Å; R85-E87 PolarHBondContact NH2-OE1 3.04Å; R85-E87 IonicContact NH2-OE2 2.93Å; R85-E87 PolarHBondContact O-N 3.49Å; E87-G89 PolarHBondContact O-N 3.14Å; E87-L90 PolarHBondContact O-N 3.2Å; E87-L90 VanDerWaalsContact O-N 3.14Å; E87-L91 PolarHBondContact O-N 3.43Å; E87-L91 VanDerWaalsContact O-N 3.08Å |
| 88 | Q | 92.5 | Very high | 93.1 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 171.8 | -61 | 172.6 | -5.8 | 0 | 0 | 110.8 | P54 P83 R85 P86 A92 | P54-Q88 HydrophobicContact CG-CB 4.26Å; P83-Q88 PolarHBondContact O-NE2 3.33Å; R85-Q88 VanDerWaalsContact O-CB 3.31Å; R85-Q88 WeakPolarHBondContact O-CB 3.16Å; R85-Q88 PolarHBondContact O-N 3.47Å; R85-Q88 VanDerWaalsContact O-N 3.11Å; P86-Q88 PolarHBondContact O-N 3.47Å; Q88-A92 WeakPolarHBondContact O-CB 3.38Å; Q88-A92 PolarHBondContact O-N 2.98Å |
| 89 | G | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 P86 E87 A92 I93 | F43-G89 VanDerWaalsContact CZ-C 3.48Å; P86-G89 WeakPolarHBondContact O-CA 3.34Å; P86-G89 PolarHBondContact O-N 2.83Å; E87-G89 PolarHBondContact O-N 3.14Å; G89-A92 PolarHBondContact O-N 3.11Å; G89-I93 WeakPolarHBondContact O-CG2 3.45Å; G89-I93 PolarHBondContact O-N 3.49Å |
| 90 | L | 94 | Very high | 93.6 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 178.3 | -173.1 | 61.6 | 0 | 0 | 0 | 112.1 | F43 L71 I74 E87 A92 I93 R94 | F43-L90 HydrophobicContact CZ-CB 4.45Å; L71-L90 HydrophobicContact CD1-CD1 4.09Å; I74-L90 HydrophobicContact CD1-CB 3.72Å; I74-L90 HydrophobicContact CD1-CD2 4.1Å; I74-L90 HydrophobicContact CD1-CG 4.44Å; E87-L90 PolarHBondContact O-N 3.2Å; E87-L90 VanDerWaalsContact O-N 3.14Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.88Å; L90-I93 HydrophobicContact CD1-CG2 4.45Å; L90-I93 WeakPolarHBondContact O-CG2 3.23Å; L90-R94 WeakPolarHBondContact O-CB 3.39Å; L90-R94 WeakPolarHBondContact O-CD 3.25Å; L90-R94 VanDerWaalsContact O-CG 3.23Å; L90-R94 WeakPolarHBondContact O-CG 3.44Å; L90-R94 PolarHBondContact O-N 2.96Å; L90-R94 VanDerWaalsContact O-N 3.11Å |
| 91 | L | 92.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 173.9 | -65.1 | 176.7 | 0 | 0 | 0 | 111.3 | E87 K95 F140 | E87-L91 PolarHBondContact O-N 3.43Å; E87-L91 VanDerWaalsContact O-N 3.08Å; L91-K95 WeakPolarHBondContact O-CB 3.03Å; L91-K95 PolarHBondContact O-N 3.43Å; L91-F140 HydrophobicContact CD2-CE2 4.33Å; L91-F140 HydrophobicContact CD2-CZ 3.93Å |
| 92 | A | 94.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L55 Q88 G89 L90 K95 A96 | L55-A92 HydrophobicContact CD2-CB 3.8Å; Q88-A92 WeakPolarHBondContact O-CB 3.38Å; Q88-A92 PolarHBondContact O-N 2.98Å; G89-A92 PolarHBondContact O-N 3.11Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.88Å; A92-K95 PolarHBondContact O-N 2.87Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 2.91Å |
| 93 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 179.5 | -165.6 | 168.7 | 0 | 0 | 0 | 111.1 | L8 F43 L55 A63 G89 L90 K95 A96 L97 L268 | L8-I93 HydrophobicContact CD1-CD1 3.89Å; F43-I93 HydrophobicContact CE2-CB 4.29Å; F43-I93 HydrophobicContact CE2-CD1 4.4Å; F43-I93 HydrophobicContact CE2-CG2 4.1Å; F43-I93 HydrophobicContact CZ-CG2 3.93Å; L55-I93 HydrophobicContact CD1-CB 4.31Å; L55-I93 HydrophobicContact CD1-CD1 4.2Å; L55-I93 HydrophobicContact CD1-CG1 4.45Å; L55-I93 HydrophobicContact CD2-CB 3.87Å; A63-I93 HydrophobicContact CB-CD1 4.1Å; G89-I93 WeakPolarHBondContact O-CG2 3.45Å; G89-I93 PolarHBondContact O-N 3.49Å; L90-I93 HydrophobicContact CD1-CG2 4.45Å; L90-I93 WeakPolarHBondContact O-CG2 3.23Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 3.36Å; I93-A96 PolarHBondContact O-N 2.96Å; I93-L97 HydrophobicContact CD1-CD1 4.17Å; I93-L97 HydrophobicContact CG1-CD1 3.67Å; I93-L97 HydrophobicContact CG1-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CB 3.4Å; I93-L97 PolarHBondContact O-N 3.1Å; I93-L268 HydrophobicContact CD1-CD1 4.49Å |
| 94 | R | 95.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 36 Ų | 36 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.7 | -73.5 | 170.3 | 174.1 | 177.8 | 0.5 | 111.5 | L90 N98 L99 L134 E270 | L90-R94 WeakPolarHBondContact O-CB 3.39Å; L90-R94 WeakPolarHBondContact O-CD 3.25Å; L90-R94 VanDerWaalsContact O-CG 3.23Å; L90-R94 WeakPolarHBondContact O-CG 3.44Å; L90-R94 PolarHBondContact O-N 2.96Å; L90-R94 VanDerWaalsContact O-N 3.11Å; R94-N98 CarbonylContact O-C 3.57Å; R94-N98 WeakPolarHBondContact O-CA 3.29Å; R94-N98 PolarHBondContact O-N 2.9Å; R94-L99 HydrophobicContact CB-CB 4.47Å; R94-L99 HydrophobicContact CG-CB 4.42Å; R94-L99 HydrophobicContact CG-CD1 4.18Å; R94-L99 PolarHBondContact O-N 2.96Å; R94-L134 HydrophobicContact CG-CD2 3.92Å; R94-E270 IonicContact CZ-OE1 3.02Å; R94-E270 IonicContact NH2-OE1 2.92Å; R94-E270 PolarHBondContact NH2-OE1 3.33Å; R94-E270 IonicContact NH2-OE2 3.32Å |
| 95 | K | 93.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 35.5 Ų | 35.5 | 63% | 0.63 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -65.9 | -48.9 | 175.1 | -172.8 | 171.5 | -176.7 | 169 | 0 | 112.5 | L91 A92 I93 L97 N98 F140 | L91-K95 WeakPolarHBondContact O-CB 3.03Å; L91-K95 PolarHBondContact O-N 3.43Å; A92-K95 PolarHBondContact O-N 2.87Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 3.36Å; K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 3.41Å; K95-N98 PolarHBondContact O-N 3.12Å; K95-N98 VanDerWaalsContact O-N 3.12Å; K95-F140 HydrophobicContact CB-CE1 4.09Å; K95-F140 HydrophobicContact CD-CD1 4.4Å; K95-F140 HydrophobicContact CD-CE1 4.48Å |
| 96 | A | 95.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 31 Ų | 31 | 39% | 0.388 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.9 | -29.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L60 A92 I93 | L60-A96 HydrophobicContact CD1-CB 3.68Å; L60-A96 HydrophobicContact CD2-CB 4.17Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 2.91Å; I93-A96 PolarHBondContact O-N 2.96Å |
| 97 | L | 96.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1.4 | 175.6 | -60.3 | -179.4 | 0 | 0 | 0 | 112.7 | L60 A63 K64 I69 I93 K95 L99 S262 P266 | L60-L97 HydrophobicContact CD1-CD2 4.47Å; A63-L97 HydrophobicContact CB-CD1 4.18Å; K64-L97 HydrophobicContact CB-CD2 4.33Å; K64-L97 HydrophobicContact CG-CD2 3.52Å; I69-L97 HydrophobicContact CD1-CD1 3.45Å; I69-L97 VanDerWaalsContact CD1-CD1 3.45Å; I93-L97 HydrophobicContact CD1-CD1 4.17Å; I93-L97 HydrophobicContact CG1-CD1 3.67Å; I93-L97 HydrophobicContact CG1-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CB 3.4Å; I93-L97 PolarHBondContact O-N 3.1Å; K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 3.41Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 HydrophobicContact CB-CD1 4.38Å; L97-L99 HydrophobicContact CB-CD2 4.01Å; L97-L99 HydrophobicContact CB-CG 3.82Å; L97-L99 HydrophobicContact CD1-CD1 4.37Å; L97-L99 PolarHBondContact O-N 2.85Å; L97-S262 WeakPolarHBondContact O-CB 3.35Å; L97-P266 HydrophobicContact CD1-CG 4.15Å; L97-P266 HydrophobicContact CD2-CG 4.33Å |
| 98 | N | 95.5 | Very high | 95.4 | Very high | 56 Ų | 56 | 34 Ų | 34 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46.8 | -175.1 | -175.1 | 41.8 | 0 | 0 | 0 | 111.9 | R94 K95 F100 R163 S262 | R94-N98 CarbonylContact O-C 3.57Å; R94-N98 WeakPolarHBondContact O-CA 3.29Å; R94-N98 PolarHBondContact O-N 2.9Å; K95-N98 PolarHBondContact O-N 3.12Å; K95-N98 VanDerWaalsContact O-N 3.12Å; N98-F100 PolarHBondContact O-N 2.79Å; N98-R163 PolarHBondContact ND2-NH1 3.36Å; N98-R163 PolarHBondContact OD1-NH1 2.85Å; N98-S262 VanDerWaalsContact O-CA 3.29Å; N98-S262 WeakPolarHBondContact O-CA 3.34Å |
| 99 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -73 | 68.2 | 177.7 | -58.2 | 174 | 0 | 0 | 0 | 110 | R94 L97 L134 S260 H261 P266 L268 | R94-L99 HydrophobicContact CB-CB 4.47Å; R94-L99 HydrophobicContact CG-CB 4.42Å; R94-L99 HydrophobicContact CG-CD1 4.18Å; R94-L99 PolarHBondContact O-N 2.96Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 HydrophobicContact CB-CD1 4.38Å; L97-L99 HydrophobicContact CB-CD2 4.01Å; L97-L99 HydrophobicContact CB-CG 3.82Å; L97-L99 HydrophobicContact CD1-CD1 4.37Å; L97-L99 PolarHBondContact O-N 2.85Å; L99-L134 WeakPolarHBondContact O-CB 3.19Å; L99-L134 VanDerWaalsContact O-CD2 3.25Å; L99-L134 WeakPolarHBondContact O-CD2 3.26Å; L99-S260 WeakPolarHBondContact CD2-O 2.98Å; L99-H261 CarbonylContact C-O 3.55Å; L99-H261 VanDerWaalsContact C-O 3.23Å; L99-H261 VanDerWaalsContact CA-O 3.31Å; L99-H261 WeakPolarHBondContact CA-O 3.36Å; L99-P266 WeakPolarHBondContact CD2-O 3.4Å; L99-L268 HydrophobicContact CD1-CB 3.76Å; L99-L268 HydrophobicContact CD1-CD1 4.05Å | ||
| 100 | F | 97.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | trans | -77.5 | -24.7 | -166.5 | 76.1 | -84.8 | 0 | 0 | 0 | 114.8 | N98 E133 L134 T135 R163 I164 H261 E263 | N98-F100 PolarHBondContact O-N 2.79Å; F100-E133 CarbonylContact O-C 3.43Å; F100-E133 WeakPolarHBondContact O-CA 3.28Å; F100-L134 PolarHBondContact O-N 3.47Å; F100-T135 WeakPolarHBondContact CA-OG1 3.49Å; F100-T135 HydrophobicContact CB-CG2 4.42Å; F100-T135 VanDerWaalsContact CB-OG1 3.27Å; F100-T135 WeakPolarHBondContact CB-OG1 3.22Å; F100-R163 VanDerWaalsContact CB-NH2 3.27Å; F100-R163 HydrophobicContact CD2-CB 4.49Å; F100-R163 HydrophobicContact CD2-CG 3.76Å; F100-R163 HydrophobicContact CE2-CB 3.88Å; F100-R163 HydrophobicContact CE2-CG 3.64Å; F100-R163 HydrophobicContact CG-CG 4.49Å; F100-R163 HydrophobicContact CZ-CB 4.2Å; F100-R163 HydrophobicContact CZ-CG 4.29Å; F100-I164 HydrophobicContact CD2-CB 4.29Å; F100-I164 HydrophobicContact CD2-CD1 4.21Å; F100-I164 HydrophobicContact CE2-CB 4.32Å; F100-I164 HydrophobicContact CE2-CD1 4.25Å; F100-H261 PolarHBondContact N-O 2.9Å; F100-E263 HydrophobicContact CD1-CB 4.49Å; F100-E263 HydrophobicContact CE1-CB 3.99Å | ||
| 101 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 101.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I164 K167 S260 H261 | A101-I164 HydrophobicContact CB-CD1 3.49Å; A101-I164 VanDerWaalsContact CB-CD1 3.49Å; A101-K167 HydrophobicContact CB-CG 4.11Å; A101-S260 CarbonylContact O-C 3.48Å; A101-S260 WeakPolarHBondContact O-CA 3.48Å; A101-H261 HydrophobicContact CB-CB 4.43Å; A101-H261 PolarHBondContact N-O 2.81Å; A101-H261 PolarHBondContact O-N 3.15Å |
| 102 | N | 98.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.7 | 170.2 | -176 | -108.8 | 0 | 0 | 0 | 110.3 | R104 V131 R132 L134 A259 S260 | N102-R104 WeakPolarHBondContact OD1-CD 3.5Å; N102-R104 WeakPolarHBondContact OD1-CG 3.31Å; N102-R104 PolarHBondContact OD1-NE 3.29Å; N102-V131 CarbonylContact O-C 3.48Å; N102-V131 WeakPolarHBondContact O-CA 3.41Å; N102-R132 HydrophobicContact CB-CB 4.19Å; N102-R132 PolarHBondContact N-O 3.41Å; N102-R132 PolarHBondContact O-N 3.24Å; N102-L134 HydrophobicContact CB-CB 4.2Å; N102-L134 HydrophobicContact CB-CD1 3.86Å; N102-L134 HydrophobicContact CB-CD2 3.94Å; N102-L134 HydrophobicContact CB-CG 4.2Å; N102-A259 CarbonylContact C-O 3.57Å; N102-A259 VanDerWaalsContact CA-O 3.28Å; N102-A259 WeakPolarHBondContact CA-O 3.49Å; N102-A259 PolarHBondContact ND2-O 3.03Å; N102-S260 PolarHBondContact ND2-OG 3.17Å |
| 103 | I | 98.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.4 | -176 | -50.8 | -60.6 | 0 | 0 | 0 | 107.3 | V129 V130 V131 L171 S258 A259 H261 | I103-V129 HydrophobicContact CG2-CG1 3.44Å; I103-V129 VanDerWaalsContact CG2-CG1 3.44Å; I103-V130 WeakPolarHBondContact CA-O 3.5Å; I103-V131 HydrophobicContact CD1-CB 4.25Å; I103-V131 HydrophobicContact CD1-CG1 3.87Å; I103-V131 HydrophobicContact CD1-CG2 3.78Å; I103-L171 HydrophobicContact CG2-CD2 4.37Å; I103-S258 WeakPolarHBondContact O-CA 3.31Å; I103-A259 HydrophobicContact CB-CB 4.41Å; I103-A259 PolarHBondContact N-O 3.45Å; I103-A259 PolarHBondContact O-N 3.2Å; I103-H261 VanDerWaalsContact CG1-CD2 3.45Å; I103-H261 WeakPolarHBondContact CG1-CD2 2.97Å |
| 104 | R | 97 | Very high | 94.9 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 97.1 | 179.7 | -78.3 | 177.7 | 173.4 | -159 | -7.3 | 109.8 | N102 V130 S243 D244 I272 | N102-R104 WeakPolarHBondContact OD1-CD 3.5Å; N102-R104 WeakPolarHBondContact OD1-CG 3.31Å; N102-R104 PolarHBondContact OD1-NE 3.29Å; R104-V130 HydrophobicContact CB-CB 4.39Å; R104-V130 PolarHBondContact N-O 3.47Å; R104-V130 PolarHBondContact O-N 3.34Å; R104-S243 PolarHBondContact NH1-OG 3.11Å; R104-D244 IonicContact NH1-OD1 3.59Å; R104-D244 PolarHBondContact NH1-OD1 3.11Å; R104-I272 HydrophobicContact CG-CG2 4.34Å |
| 105 | P | 96.2 | Very high | 94.8 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138.6 | 173.1 | -18.3 | 32.1 | 0 | 0 | 0 | 111.2 | V129 M296 | P105-V129 HydrophobicContact CB-CG2 4.49Å; P105-M296 HydrophobicContact CG-CE 3.95Å; P105-M296 HydrophobicContact CG-SD 4.23Å |
| 106 | V | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 99.1 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | V126 D127 F128 S246 L249 | V106-V126 HydrophobicContact CG1-CG1 4.17Å; V106-D127 WeakPolarHBondContact O-CA 3.46Å; V106-F128 HydrophobicContact CB-CD1 4.12Å; V106-F128 HydrophobicContact CB-CD2 4.3Å; V106-F128 HydrophobicContact CB-CE1 3.88Å; V106-F128 HydrophobicContact CB-CE2 4.07Å; V106-F128 HydrophobicContact CB-CG 4.33Å; V106-F128 HydrophobicContact CB-CZ 3.87Å; V106-F128 HydrophobicContact CG1-CD1 4.33Å; V106-F128 HydrophobicContact CG1-CE1 3.73Å; V106-F128 HydrophobicContact CG1-CZ 3.89Å; V106-F128 HydrophobicContact CG2-CD2 4.27Å; V106-F128 HydrophobicContact CG2-CE1 4.4Å; V106-F128 HydrophobicContact CG2-CE2 3.78Å; V106-F128 HydrophobicContact CG2-CZ 3.87Å; V106-F128 PolarHBondContact N-O 3Å; V106-F128 PolarHBondContact O-N 3.08Å; V106-F128 VanDerWaalsContact O-N 3.11Å; V106-S246 WeakPolarHBondContact CG2-OG 3.46Å; V106-L249 HydrophobicContact CG1-CB 4.49Å; V106-L249 HydrophobicContact CG1-CD1 4.13Å |
| 107 | R | 91.7 | Very high | 94.9 | Very high | 118 Ų | 118 | 36.3 Ų | 36.3 | 45% | 0.445 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.9 | 176.1 | 176.7 | 179.1 | 167.6 | -166.5 | -4.5 | 108.8 | ||
| 108 | I | 92.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | trans | -107.8 | 122.1 | 178.6 | -53.4 | 177.1 | 0 | 0 | 0 | 108.3 | K113 I123 V126 L249 P250 | I108-K113 HydrophobicContact CG2-CB 4.43Å; I108-K113 HydrophobicContact CG2-CG 3.65Å; I108-I123 HydrophobicContact CD1-CB 3.59Å; I108-I123 HydrophobicContact CD1-CD1 4.29Å; I108-I123 HydrophobicContact CD1-CG1 4.49Å; I108-I123 HydrophobicContact CD1-CG2 3.99Å; I108-V126 HydrophobicContact CD1-CB 3.91Å; I108-V126 HydrophobicContact CD1-CG1 4.16Å; I108-V126 HydrophobicContact CD1-CG2 4.39Å; I108-V126 HydrophobicContact CG1-CB 4.41Å; I108-V126 HydrophobicContact CG1-CG1 4.44Å; I108-L249 HydrophobicContact CD1-CB 4.29Å; I108-P250 HydrophobicContact CG1-CB 4.15Å; I108-P250 HydrophobicContact CG1-CG 4.04Å | ||
| 109 | F | 92.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | trans | -71.5 | 132.5 | 171.7 | -68 | -87.9 | 0 | 0 | 0 | 109.4 | A111 L112 K113 V255 L292 V315 F319 | F109-A111 VanDerWaalsContact C-N 3.25Å; F109-A111 PolarHBondContact O-N 3.14Å; F109-L112 HydrophobicContact CB-CB 4.21Å; F109-L112 HydrophobicContact CB-CD1 4.16Å; F109-L112 HydrophobicContact CB-CG 4.05Å; F109-L112 HydrophobicContact CD2-CD1 4.29Å; F109-L112 CarbonylContact O-C 3.52Å; F109-L112 WeakPolarHBondContact O-CA 3.33Å; F109-L112 PolarHBondContact O-N 3.4Å; F109-K113 PolarHBondContact O-N 2.76Å; F109-K113 VanDerWaalsContact O-N 3.09Å; F109-V255 HydrophobicContact CD2-CB 4.45Å; F109-V255 HydrophobicContact CD2-CG2 4.23Å; F109-V255 HydrophobicContact CE2-CB 4.12Å; F109-V255 HydrophobicContact CE2-CG2 4.23Å; F109-L292 HydrophobicContact CE2-CD1 4.21Å; F109-L292 HydrophobicContact CZ-CD1 3.94Å; F109-V315 HydrophobicContact CE1-CG1 4.15Å; F109-V315 HydrophobicContact CZ-CG1 4.17Å; F109-F319 HydrophobicContact CB-CD2 4.17Å; F109-F319 AromaticContact CD1-CD2 3.87Å; F109-F319 HydrophobicContact CD1-CD2 3.87Å; F109-F319 HydrophobicContact CD1-CE2 4.08Å; F109-F319 HydrophobicContact CD2-CD2 4.4Å; F109-F319 AromaticContact CD2-CE2 3.96Å; F109-F319 HydrophobicContact CD2-CE2 3.96Å; F109-F319 HydrophobicContact CE1-CD2 4.36Å; F109-F319 HydrophobicContact CE1-CE2 4.27Å; F109-F319 HydrophobicContact CE2-CE2 4.16Å; F109-F319 AromaticContact CG-CD2 3.89Å; F109-F319 HydrophobicContact CG-CD2 3.89Å; F109-F319 AromaticContact CG-CE2 3.92Å; F109-F319 HydrophobicContact CG-CE2 3.92Å; F109-F319 HydrophobicContact CZ-CE2 4.31Å | ||
| 110 | D | 91.1 | Very high | 94.6 | Very high | 108 Ų | 108 | 46 Ų | 46 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -55.9 | -42.1 | -177.4 | -80.6 | -30.8 | 0 | 0 | 0 | 112.1 | L112 K113 | D110-L112 PolarHBondContact O-N 3.28Å; D110-K113 PolarHBondContact O-N 3.09Å; D110-K113 WeakPolarHBondContact OD1-CE 3.29Å; D110-K113 IonicContact OD1-NZ 2.8Å; D110-K113 PolarHBondContact OD1-NZ 2.7Å |
| 111 | A | 92.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F109 H114 F319 | F109-A111 VanDerWaalsContact C-N 3.25Å; F109-A111 PolarHBondContact O-N 3.14Å; A111-H114 PolarHBondContact O-CE1 3.37Å; A111-H114 VanDerWaalsContact O-CE1 3.24Å; A111-H114 PolarHBondContact O-ND1 2.84Å; A111-H114 VanDerWaalsContact O-ND1 3.08Å; A111-F319 HydrophobicContact CB-CB 3.78Å |
| 112 | L | 94 | Very high | 94.2 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -105.7 | -2.9 | -176 | -55.6 | -174.9 | 0 | 0 | 0 | 113.4 | F109 D110 H114 L115 T252 V255 F319 L324 L328 | F109-L112 HydrophobicContact CB-CB 4.21Å; F109-L112 HydrophobicContact CB-CD1 4.16Å; F109-L112 HydrophobicContact CB-CG 4.05Å; F109-L112 HydrophobicContact CD2-CD1 4.29Å; F109-L112 CarbonylContact O-C 3.52Å; F109-L112 WeakPolarHBondContact O-CA 3.33Å; F109-L112 PolarHBondContact O-N 3.4Å; D110-L112 PolarHBondContact O-N 3.28Å; L112-H114 PolarHBondContact O-N 3.44Å; L112-L115 HydrophobicContact CB-CD1 4.23Å; L112-L115 HydrophobicContact CD2-CD1 4.07Å; L112-L115 WeakPolarHBondContact O-CB 3.44Å; L112-L115 PolarHBondContact O-N 3.37Å; L112-T252 HydrophobicContact CD1-CG2 4.32Å; L112-V255 HydrophobicContact CD1-CG1 3.9Å; L112-V255 HydrophobicContact CD1-CG2 4.37Å; L112-F319 HydrophobicContact CD1-CD2 4.09Å; L112-F319 HydrophobicContact CD1-CE2 3.73Å; L112-F319 HydrophobicContact CD1-CZ 3.96Å; L112-F319 HydrophobicContact CG-CD2 4.37Å; L112-F319 HydrophobicContact CG-CE2 4.49Å; L112-L324 HydrophobicContact CD2-CD2 3.71Å; L112-L328 HydrophobicContact CD1-CD1 4.32Å; L112-L328 HydrophobicContact CD1-CD2 4.28Å; L112-L328 HydrophobicContact CD2-CB 4.49Å; L112-L328 HydrophobicContact CD2-CD1 4.32Å |
| 113 | K | 92.1 | Very high | 94 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -49.8 | -34.6 | -179.3 | -82.3 | 178.9 | 169.4 | 173.7 | 0 | 113.3 | I108 F109 D110 L115 S116 I123 E124 | I108-K113 HydrophobicContact CG2-CB 4.43Å; I108-K113 HydrophobicContact CG2-CG 3.65Å; F109-K113 PolarHBondContact O-N 2.76Å; F109-K113 VanDerWaalsContact O-N 3.09Å; D110-K113 PolarHBondContact O-N 3.09Å; D110-K113 WeakPolarHBondContact OD1-CE 3.29Å; D110-K113 IonicContact OD1-NZ 2.8Å; D110-K113 PolarHBondContact OD1-NZ 2.7Å; K113-L115 PolarHBondContact O-N 2.92Å; K113-S116 WeakPolarHBondContact O-CB 3.3Å; K113-S116 PolarHBondContact O-N 2.95Å; K113-I123 HydrophobicContact CB-CD1 4.06Å; K113-I123 HydrophobicContact CG-CD1 4.09Å; K113-E124 IonicContact NZ-OE1 2.77Å; K113-E124 PolarHBondContact NZ-OE1 3.02Å; K113-E124 IonicContact NZ-OE2 3.26Å; K113-E124 PolarHBondContact NZ-OE2 2.95Å |
| 114 | H | 92.5 | Very high | 93.7 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 61% | 0.606 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.6 | -179.8 | 72.5 | -83 | 0 | 0 | 0 | 114.5 | A111 L112 S116 | A111-H114 PolarHBondContact O-CE1 3.37Å; A111-H114 VanDerWaalsContact O-CE1 3.24Å; A111-H114 PolarHBondContact O-ND1 2.84Å; A111-H114 VanDerWaalsContact O-ND1 3.08Å; L112-H114 PolarHBondContact O-N 3.44Å; H114-S116 VanDerWaalsContact C-N 3.33Å |
| 115 | L | 94.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -79.5 | -19.6 | 175.6 | -61.9 | 178.2 | 0 | 0 | 0 | 112.2 | L112 K113 G251 T252 L328 | L112-L115 HydrophobicContact CB-CD1 4.23Å; L112-L115 HydrophobicContact CD2-CD1 4.07Å; L112-L115 WeakPolarHBondContact O-CB 3.44Å; L112-L115 PolarHBondContact O-N 3.37Å; K113-L115 PolarHBondContact O-N 2.92Å; L115-G251 WeakPolarHBondContact O-CA 3.2Å; L115-T252 HydrophobicContact CD1-CG2 4.18Å; L115-L328 HydrophobicContact CD1-CB 4.32Å; L115-L328 HydrophobicContact CD1-CD2 3.88Å |
| 116 | S | 95.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -60.2 | 137.6 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | K113 H114 L118 L249 | K113-S116 WeakPolarHBondContact O-CB 3.3Å; K113-S116 PolarHBondContact O-N 2.95Å; H114-S116 VanDerWaalsContact C-N 3.33Å; S116-L118 PolarHBondContact O-N 3.17Å; S116-L118 PolarHBondContact OG-N 2.99Å; S116-L249 WeakPolarHBondContact CB-O 3.46Å; S116-L249 PolarHBondContact OG-O 2.94Å | ||
| 117 | P | 95.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -74 | -8 | 172.4 | 31.5 | -34.7 | 0 | 0 | 0 | 112.5 | V248 | P117-V248 WeakPolarHBondContact CD-O 3.4Å; P117-V248 HydrophobicContact CG-CG1 3.57Å |
| 118 | L | 95.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -94.8 | 158.1 | -179.7 | -58.7 | -171.2 | 0 | 0 | 0 | 111.7 | S116 R122 I123 I223 L249 | S116-L118 PolarHBondContact O-N 3.17Å; S116-L118 PolarHBondContact OG-N 2.99Å; L118-R122 HydrophobicContact CB-CB 4.35Å; L118-I123 HydrophobicContact CB-CG2 3.84Å; L118-I123 HydrophobicContact CD1-CG2 4.22Å; L118-I223 HydrophobicContact CD1-CG2 4.17Å; L118-I223 WeakPolarHBondContact CD1-O 3.23Å; L118-I223 HydrophobicContact CD2-CG2 3.94Å; L118-L249 HydrophobicContact CD1-CD2 3.47Å; L118-L249 VanDerWaalsContact CD1-CD2 3.47Å |
| 119 | K | 94.5 | Very high | 94.1 | Very high | 138 Ų | 138 | 59.5 Ų | 59.5 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | trans | -63.9 | 143.9 | 177 | -55.4 | -177 | 179.5 | -179.6 | 0 | 110.4 | E121 R122 | K119-E121 VanDerWaalsContact CB-CD 3.48Å; K119-E121 WeakPolarHBondContact CB-OE1 2.92Å; K119-E121 VanDerWaalsContact CB-OE2 3.29Å; K119-E121 WeakPolarHBondContact CB-OE2 3.22Å; K119-E121 WeakPolarHBondContact CD-OE1 3.33Å; K119-E121 PolarHBondContact O-N 2.56Å; K119-E121 VanDerWaalsContact O-N 3.11Å; K119-R122 HydrophobicContact CB-CG 4.33Å; K119-R122 WeakPolarHBondContact O-CB 3.29Å; K119-R122 PolarHBondContact O-N 3.46Å | ||
| 120 | P | 92.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -50.4 | -40.6 | -178.2 | -29.5 | 36 | 0 | 0 | 0 | 114 | R122 I123 E124 | P120-R122 PolarHBondContact O-N 3.23Å; P120-I123 VanDerWaalsContact O-CG1 3.26Å; P120-I123 WeakPolarHBondContact O-CG1 3.31Å; P120-I123 PolarHBondContact O-N 3.5Å; P120-E124 PolarHBondContact O-N 2.91Å; P120-E124 VanDerWaalsContact O-N 3.15Å |
| 121 | E | 93.3 | Very high | 94.7 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.3 | -17.1 | 179.7 | 70.4 | -85.5 | -166.3 | 0 | 0 | 114.5 | K119 | K119-E121 VanDerWaalsContact CB-CD 3.48Å; K119-E121 WeakPolarHBondContact CB-OE1 2.92Å; K119-E121 VanDerWaalsContact CB-OE2 3.29Å; K119-E121 WeakPolarHBondContact CB-OE2 3.22Å; K119-E121 WeakPolarHBondContact CD-OE1 3.33Å; K119-E121 PolarHBondContact O-N 2.56Å; K119-E121 VanDerWaalsContact O-N 3.11Å |
| 122 | R | 94 | Very high | 95 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -85.5 | -25.3 | 177.3 | -65.1 | -68.8 | 178.3 | -175.3 | -4.2 | 112.7 | L118 K119 P120 T224 P226 | L118-R122 HydrophobicContact CB-CB 4.35Å; K119-R122 HydrophobicContact CB-CG 4.33Å; K119-R122 WeakPolarHBondContact O-CB 3.29Å; K119-R122 PolarHBondContact O-N 3.46Å; P120-R122 PolarHBondContact O-N 3.23Å; R122-T224 VanDerWaalsContact CD-O 3.27Å; R122-T224 WeakPolarHBondContact CD-O 3.39Å; R122-T224 PolarHBondContact NH1-O 3.47Å; R122-P226 WeakPolarHBondContact O-CD 3.33Å; R122-P226 WeakPolarHBondContact O-CG 3.34Å |
| 123 | I | 93.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -104.6 | -2.6 | -176.5 | 60.1 | 160.4 | 0 | 0 | 0 | 113.1 | I108 K113 L118 P120 G125 V126 | I108-I123 HydrophobicContact CD1-CB 3.59Å; I108-I123 HydrophobicContact CD1-CD1 4.29Å; I108-I123 HydrophobicContact CD1-CG1 4.49Å; I108-I123 HydrophobicContact CD1-CG2 3.99Å; K113-I123 HydrophobicContact CB-CD1 4.06Å; K113-I123 HydrophobicContact CG-CD1 4.09Å; L118-I123 HydrophobicContact CB-CG2 3.84Å; L118-I123 HydrophobicContact CD1-CG2 4.22Å; P120-I123 VanDerWaalsContact O-CG1 3.26Å; P120-I123 WeakPolarHBondContact O-CG1 3.31Å; P120-I123 PolarHBondContact O-N 3.5Å; I123-G125 PolarHBondContact O-N 3.34Å; I123-V126 HydrophobicContact CB-CG2 4.46Å; I123-V126 VanDerWaalsContact O-CG2 3.3Å; I123-V126 WeakPolarHBondContact O-CG2 3.44Å; I123-V126 PolarHBondContact O-N 2.78Å |
| 124 | E | 92.3 | Very high | 95.4 | Very high | 110 Ų | 110 | 50.6 Ų | 50.6 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 130.2 | 176.8 | -165.4 | 56.8 | -134.7 | 0 | 0 | 110.8 | K113 P120 V126 S227 | K113-E124 IonicContact NZ-OE1 2.77Å; K113-E124 PolarHBondContact NZ-OE1 3.02Å; K113-E124 IonicContact NZ-OE2 3.26Å; K113-E124 PolarHBondContact NZ-OE2 2.95Å; P120-E124 PolarHBondContact O-N 2.91Å; P120-E124 VanDerWaalsContact O-N 3.15Å; E124-V126 VanDerWaalsContact C-N 3.25Å; E124-V126 PolarHBondContact O-N 3.02Å; E124-S227 WeakPolarHBondContact O-CB 3.13Å |
| 125 | G | 92.3 | Very high | 95.5 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 15.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I123 D127 | I123-G125 PolarHBondContact O-N 3.34Å; G125-D127 PolarHBondContact O-N 3.21Å |
| 126 | V | 96 | Very high | 95.5 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | trans | -69.8 | 110.5 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | V106 I108 I123 E124 F128 P226 L249 | V106-V126 HydrophobicContact CG1-CG1 4.17Å; I108-V126 HydrophobicContact CD1-CB 3.91Å; I108-V126 HydrophobicContact CD1-CG1 4.16Å; I108-V126 HydrophobicContact CD1-CG2 4.39Å; I108-V126 HydrophobicContact CG1-CB 4.41Å; I108-V126 HydrophobicContact CG1-CG1 4.44Å; I123-V126 HydrophobicContact CB-CG2 4.46Å; I123-V126 VanDerWaalsContact O-CG2 3.3Å; I123-V126 WeakPolarHBondContact O-CG2 3.44Å; I123-V126 PolarHBondContact O-N 2.78Å; E124-V126 VanDerWaalsContact C-N 3.25Å; E124-V126 PolarHBondContact O-N 3.02Å; V126-F128 HydrophobicContact CG1-CD1 3.92Å; V126-F128 HydrophobicContact CG1-CE1 3.81Å; V126-P226 HydrophobicContact CG1-CB 4.23Å; V126-P226 HydrophobicContact CG2-CB 3.73Å; V126-P226 HydrophobicContact CG2-CG 3.52Å; V126-L249 HydrophobicContact CG1-CD1 4.25Å | ||
| 127 | D | 95.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 97.2 | 172.2 | -179.6 | 6 | 0 | 0 | 0 | 109.3 | V106 G125 R175 | V106-D127 WeakPolarHBondContact O-CA 3.46Å; G125-D127 PolarHBondContact O-N 3.21Å; D127-R175 VanDerWaalsContact CG-NH2 3.26Å; D127-R175 PolarHBondContact O-NH2 2.86Å; D127-R175 IonicContact OD1-CZ 3.67Å; D127-R175 IonicContact OD1-NH1 3.62Å; D127-R175 IonicContact OD1-NH2 2.87Å; D127-R175 PolarHBondContact OD1-NH2 2.9Å; D127-R175 IonicContact OD2-NH2 3.56Å |
| 128 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 168.6 | 177.7 | 69.2 | -89.8 | 0 | 0 | 0 | 111.5 | V106 V126 V130 M222 P226 F229 D230 V232 L249 | V106-F128 HydrophobicContact CB-CD1 4.12Å; V106-F128 HydrophobicContact CB-CD2 4.3Å; V106-F128 HydrophobicContact CB-CE1 3.88Å; V106-F128 HydrophobicContact CB-CE2 4.07Å; V106-F128 HydrophobicContact CB-CG 4.33Å; V106-F128 HydrophobicContact CB-CZ 3.87Å; V106-F128 HydrophobicContact CG1-CD1 4.33Å; V106-F128 HydrophobicContact CG1-CE1 3.73Å; V106-F128 HydrophobicContact CG1-CZ 3.89Å; V106-F128 HydrophobicContact CG2-CD2 4.27Å; V106-F128 HydrophobicContact CG2-CE1 4.4Å; V106-F128 HydrophobicContact CG2-CE2 3.78Å; V106-F128 HydrophobicContact CG2-CZ 3.87Å; V106-F128 PolarHBondContact N-O 3Å; V106-F128 PolarHBondContact O-N 3.08Å; V106-F128 VanDerWaalsContact O-N 3.11Å; V126-F128 HydrophobicContact CG1-CD1 3.92Å; V126-F128 HydrophobicContact CG1-CE1 3.81Å; F128-V130 HydrophobicContact CD2-CG2 4.19Å; F128-V130 HydrophobicContact CE2-CG2 3.73Å; F128-M222 HydrophobicContact CE2-CE 4.26Å; F128-M222 HydrophobicContact CZ-CE 4.41Å; F128-M222 HydrophobicContact CZ-CG 4.28Å; F128-M222 HydrophobicContact CZ-SD 4.48Å; F128-P226 HydrophobicContact CE1-CB 4.11Å; F128-F229 HydrophobicContact CB-CB 3.73Å; F128-F229 HydrophobicContact CD1-CB 4.14Å; F128-F229 HydrophobicContact CD2-CB 4.05Å; F128-F229 HydrophobicContact CG-CB 3.73Å; F128-D230 CarbonylContact C-O 3.56Å; F128-D230 WeakPolarHBondContact CA-O 3.37Å; F128-D230 VanDerWaalsContact CB-O 3.28Å; F128-D230 WeakPolarHBondContact CB-O 3.3Å; F128-V232 HydrophobicContact CD2-CG2 4.35Å; F128-L249 HydrophobicContact CE1-CD1 3.83Å; F128-L249 HydrophobicContact CZ-CD1 4.01Å |
| 129 | V | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.4 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 110 | I103 P105 V131 L171 D230 V231 V232 | I103-V129 HydrophobicContact CG2-CG1 3.44Å; I103-V129 VanDerWaalsContact CG2-CG1 3.44Å; P105-V129 HydrophobicContact CB-CG2 4.49Å; V129-V131 HydrophobicContact CG1-CG2 4.45Å; V129-L171 HydrophobicContact CB-CD2 3.98Å; V129-L171 HydrophobicContact CG1-CD2 3.77Å; V129-L171 HydrophobicContact CG2-CD2 4.27Å; V129-D230 PolarHBondContact N-O 3.1Å; V129-V231 WeakPolarHBondContact O-CA 3.29Å; V129-V232 PolarHBondContact O-N 2.96Å |
| 130 | V | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.8 | 168.9 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | I103 R104 F128 | I103-V130 WeakPolarHBondContact CA-O 3.5Å; R104-V130 HydrophobicContact CB-CB 4.39Å; R104-V130 PolarHBondContact N-O 3.47Å; R104-V130 PolarHBondContact O-N 3.34Å; F128-V130 HydrophobicContact CD2-CG2 4.19Å; F128-V130 HydrophobicContact CE2-CG2 3.73Å |
| 131 | V | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108.1 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | N102 I103 V129 I164 A168 L171 V231 V232 V233 T234 | N102-V131 CarbonylContact O-C 3.48Å; N102-V131 WeakPolarHBondContact O-CA 3.41Å; I103-V131 HydrophobicContact CD1-CB 4.25Å; I103-V131 HydrophobicContact CD1-CG1 3.87Å; I103-V131 HydrophobicContact CD1-CG2 3.78Å; V129-V131 HydrophobicContact CG1-CG2 4.45Å; V131-I164 HydrophobicContact CG1-CD1 3.46Å; V131-I164 VanDerWaalsContact CG1-CD1 3.46Å; V131-I164 HydrophobicContact CG1-CG1 4Å; V131-A168 HydrophobicContact CB-CB 4.23Å; V131-A168 HydrophobicContact CG1-CB 4.14Å; V131-A168 HydrophobicContact CG2-CB 4.24Å; V131-L171 HydrophobicContact CG2-CD2 3.97Å; V131-V231 HydrophobicContact CG2-CG1 3.64Å; V131-V232 WeakPolarHBondContact CA-O 3.32Å; V131-V232 WeakPolarHBondContact CB-O 3.28Å; V131-V232 PolarHBondContact N-O 3.43Å; V131-V233 HydrophobicContact CB-CB 4.3Å; V131-V233 HydrophobicContact CB-CG2 4.19Å; V131-V233 HydrophobicContact CG1-CG2 4.1Å; V131-V233 VanDerWaalsContact O-CA 3.29Å; V131-V233 WeakPolarHBondContact O-CA 3.44Å; V131-T234 PolarHBondContact O-N 2.8Å; V131-T234 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.3 | -175 | 165.7 | -173.7 | 178.2 | -177 | 4.9 | 110.1 | N102 L134 Y139 N236 D240 | N102-R132 HydrophobicContact CB-CB 4.19Å; N102-R132 PolarHBondContact N-O 3.41Å; N102-R132 PolarHBondContact O-N 3.24Å; R132-L134 PolarHBondContact O-N 2.77Å; R132-Y139 VanDerWaalsContact NH2-CE2 3.35Å; R132-N236 PolarHBondContact NE-O 2.97Å; R132-N236 PolarHBondContact NE-OD1 3.32Å; R132-N236 VanDerWaalsContact NE-OD1 3.09Å; R132-N236 PolarHBondContact NH2-OD1 3.11Å; R132-D240 VanDerWaalsContact CZ-CB 3.42Å; R132-D240 IonicContact CZ-OD1 2.69Å; R132-D240 VanDerWaalsContact CZ-OD1 3.32Å; R132-D240 VanDerWaalsContact NH1-CG 3.34Å; R132-D240 IonicContact NH1-OD1 3.22Å; R132-D240 PolarHBondContact NH1-OD1 2.99Å; R132-D240 VanDerWaalsContact NH2-CB 3.29Å; R132-D240 IonicContact NH2-OD1 3.4Å; R132-D240 PolarHBondContact NH2-OD1 3.46Å; R132-D240 IonicContact NH2-OD2 3.79Å; R132-D240 PolarHBondContact NH2-OD2 3.03Å |
| 133 | E | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.3 | 164.7 | -151.6 | -66.3 | 145 | 0 | 0 | 108.9 | F100 T135 G136 Y156 R163 I164 W194 T234 N236 | F100-E133 CarbonylContact O-C 3.43Å; F100-E133 WeakPolarHBondContact O-CA 3.28Å; E133-T135 PolarHBondContact OE1-N 3.31Å; E133-T135 PolarHBondContact OE1-OG1 3.38Å; E133-T135 PolarHBondContact OE2-N 3.27Å; E133-G136 WeakPolarHBondContact OE2-CA 3.33Å; E133-G136 PolarHBondContact OE2-N 2.87Å; E133-Y156 HydrophobicContact CB-CE1 4.44Å; E133-Y156 HydrophobicContact CG-CE1 4.16Å; E133-R163 IonicContact OE1-NH2 2.62Å; E133-R163 PolarHBondContact OE1-NH2 3.03Å; E133-R163 VanDerWaalsContact OE1-NH2 3.07Å; E133-I164 HydrophobicContact CB-CB 4.43Å; E133-I164 HydrophobicContact CB-CG1 4.13Å; E133-I164 HydrophobicContact CB-CG2 4.17Å; E133-I164 HydrophobicContact CG-CB 4.19Å; E133-I164 HydrophobicContact CG-CG1 4.4Å; E133-I164 HydrophobicContact CG-CG2 3.93Å; E133-W194 HydrophobicContact CB-CH2 3.85Å; E133-W194 HydrophobicContact CB-CZ2 3.97Å; E133-W194 HydrophobicContact CG-CH2 4.42Å; E133-W194 HydrophobicContact CG-CZ2 4.34Å; E133-T234 PolarHBondContact N-O 2.71Å; E133-T234 VanDerWaalsContact N-O 3.12Å; E133-N236 WeakPolarHBondContact O-CA 3.25Å; E133-N236 WeakPolarHBondContact O-CB 3.47Å; E133-N236 VanDerWaalsContact O-CG 3.26Å |
| 134 | L | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -113.2 | -9.6 | -166.1 | -163.8 | 67.3 | 0 | 0 | 0 | 113.8 | R94 L99 F100 N102 R132 F140 N236 S260 | R94-L134 HydrophobicContact CG-CD2 3.92Å; L99-L134 WeakPolarHBondContact O-CB 3.19Å; L99-L134 VanDerWaalsContact O-CD2 3.25Å; L99-L134 WeakPolarHBondContact O-CD2 3.26Å; F100-L134 PolarHBondContact O-N 3.47Å; N102-L134 HydrophobicContact CB-CB 4.2Å; N102-L134 HydrophobicContact CB-CD1 3.86Å; N102-L134 HydrophobicContact CB-CD2 3.94Å; N102-L134 HydrophobicContact CB-CG 4.2Å; R132-L134 PolarHBondContact O-N 2.77Å; L134-F140 WeakPolarHBondContact O-CE2 3.43Å; L134-N236 PolarHBondContact O-ND2 3.01Å; L134-S260 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 135 | T | 94.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -125 | 5 | -166.8 | 53.5 | 0 | 0 | 0 | 0 | 115 | F100 E133 F140 R163 | F100-T135 WeakPolarHBondContact CA-OG1 3.49Å; F100-T135 HydrophobicContact CB-CG2 4.42Å; F100-T135 VanDerWaalsContact CB-OG1 3.27Å; F100-T135 WeakPolarHBondContact CB-OG1 3.22Å; E133-T135 PolarHBondContact OE1-N 3.31Å; E133-T135 PolarHBondContact OE1-OG1 3.38Å; E133-T135 PolarHBondContact OE2-N 3.27Å; T135-F140 VanDerWaalsContact C-CD2 3.5Å; T135-F140 WeakPolarHBondContact O-CG 3.4Å; T135-R163 PolarHBondContact OG1-NH2 3.08Å |
| 136 | G | 93.7 | Very high | 96 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -133.7 | -168.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E133 N236 | E133-G136 WeakPolarHBondContact OE2-CA 3.33Å; E133-G136 PolarHBondContact OE2-N 2.87Å; G136-N236 WeakPolarHBondContact O-CB 3.43Å; G136-N236 PolarHBondContact O-ND2 2.66Å |
| 137 | G | 96 | Very high | 96 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | 66.7 | -159.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y139 F140 G141 N154 D155 Y156 | G137-Y139 PolarHBondContact O-N 3.13Å; G137-F140 PolarHBondContact O-N 2.95Å; G137-G141 PolarHBondContact O-N 3.19Å; G137-G141 VanDerWaalsContact O-N 3.08Å; G137-N154 WeakPolarHBondContact CA-OD1 3.07Å; G137-D155 WeakPolarHBondContact CA-O 3.35Å; G137-D155 PolarHBondContact N-O 3Å; G137-Y156 VanDerWaalsContact CA-CE2 3.46Å; G137-Y156 WeakPolarHBondContact CA-OH 3.47Å |
| 138 | I | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.9 | -26.8 | -166.1 | -159.5 | 169.9 | 0 | 0 | 0 | 115.2 | F140 H143 D152 N154 L237 | I138-F140 VanDerWaalsContact C-N 3.34Å; I138-H143 PolarHBondContact O-CE1 2.89Å; I138-D152 HydrophobicContact CD1-CB 3.88Å; I138-D152 HydrophobicContact CG1-CB 3.73Å; I138-N154 HydrophobicContact CB-CB 3.96Å; I138-N154 HydrophobicContact CG1-CB 4.32Å; I138-N154 PolarHBondContact N-OD1 3.47Å; I138-L237 HydrophobicContact CG2-CB 3.86Å; I138-L237 HydrophobicContact CG2-CD2 4.14Å; I138-L237 HydrophobicContact CG2-CG 4.42Å |
| 139 | Y | 91.8 | Very high | 96.1 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -78.1 | -17.5 | 178.7 | -68.1 | -5.6 | 0 | 0 | 0 | 114.3 | R132 G137 N236 L237 D240 | R132-Y139 VanDerWaalsContact NH2-CE2 3.35Å; G137-Y139 PolarHBondContact O-N 3.13Å; Y139-N236 WeakPolarHBondContact CD2-OD1 3.46Å; Y139-L237 HydrophobicContact CE1-CD1 3.91Å; Y139-L237 WeakPolarHBondContact OH-CD1 3.41Å; Y139-D240 HydrophobicContact CE2-CB 4.46Å; Y139-D240 WeakPolarHBondContact CE2-OD2 3.48Å; Y139-D240 VanDerWaalsContact CZ-OD2 3.29Å; Y139-D240 PolarHBondContact OH-OD2 2.99Å |
| 140 | F | 92.5 | Very high | 96.1 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 23% | 0.228 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -0.7 | 179.5 | -69.1 | -90.7 | 0 | 0 | 0 | 112.3 | L91 K95 L134 T135 G137 I138 | L91-F140 HydrophobicContact CD2-CE2 4.33Å; L91-F140 HydrophobicContact CD2-CZ 3.93Å; K95-F140 HydrophobicContact CB-CE1 4.09Å; K95-F140 HydrophobicContact CD-CD1 4.4Å; K95-F140 HydrophobicContact CD-CE1 4.48Å; L134-F140 WeakPolarHBondContact O-CE2 3.43Å; T135-F140 VanDerWaalsContact C-CD2 3.5Å; T135-F140 WeakPolarHBondContact O-CG 3.4Å; G137-F140 PolarHBondContact O-N 2.95Å; I138-F140 VanDerWaalsContact C-N 3.34Å |
| 141 | G | 93.6 | Very high | 96 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -77.4 | 178.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | G137 H143 I153 | G137-G141 PolarHBondContact O-N 3.19Å; G137-G141 VanDerWaalsContact O-N 3.08Å; G141-H143 PolarHBondContact O-CD2 2.8Å; G141-H143 PolarHBondContact O-NE2 3.04Å; G141-I153 WeakPolarHBondContact CA-O 3.45Å |
| 142 | E | 95.5 | Very high | 96 | Very high | 115 Ų | 115 | 72.2 Ų | 72.2 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | trans | -73.3 | 130.7 | 176.8 | -170.5 | -175.8 | 160.8 | 0 | 0 | 111 | Q144 D152 I153 | E142-Q144 HydrophobicContact CG-CG 4.38Å; E142-Q144 PolarHBondContact OE1-NE2 3.01Å; E142-D152 WeakPolarHBondContact O-CA 3.24Å; E142-I153 HydrophobicContact CB-CB 4.33Å; E142-I153 HydrophobicContact CB-CG1 3.94Å; E142-I153 PolarHBondContact O-N 2.84Å | ||
| 143 | H | 94.6 | Very high | 96 | Very high | 110 Ų | 110 | 74.8 Ų | 74.8 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.1 | 176.3 | -56.9 | -72.1 | 0 | 0 | 0 | 110 | I138 G141 D152 | I138-H143 PolarHBondContact O-CE1 2.89Å; G141-H143 PolarHBondContact O-CD2 2.8Å; G141-H143 PolarHBondContact O-NE2 3.04Å; H143-D152 IonicContact CE1-OD1 3.73Å; H143-D152 IonicContact CG-OD1 3.62Å; H143-D152 IonicContact ND1-OD1 2.72Å; H143-D152 PolarHBondContact ND1-OD1 3.11Å |
| 144 | Q | 97 | Very high | 95.9 | Very high | 66 Ų | 66 | 76.8 Ų | 76.8 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.8 | 174.7 | -60.2 | -179 | 12.7 | 0 | 0 | 109.4 | E142 A150 R151 | E142-Q144 HydrophobicContact CG-CG 4.38Å; E142-Q144 PolarHBondContact OE1-NE2 3.01Å; Q144-A150 CarbonylContact O-C 3.6Å; Q144-A150 WeakPolarHBondContact O-CA 3.42Å; Q144-R151 HydrophobicContact CB-CB 4.39Å; Q144-R151 PolarHBondContact N-O 3.5Å; Q144-R151 PolarHBondContact O-N 2.84Å |
| 145 | L | 95.7 | Very high | 96 | Very high | 155 Ų | 155 | 81.2 Ų | 81.2 | 81% | 0.812 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.6 | 174.7 | -179.2 | 62.7 | 0 | 0 | 0 | 109.7 | A150 | L145-A150 HydrophobicContact CD1-CB 4.05Å |
| 146 | Q | 96.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 81.3 Ų | 81.3 | 54% | 0.542 | 41% | 0.412 | S | S | . | . | trans | -126 | 169.9 | 173.3 | -53.6 | 176.5 | 30.9 | 0 | 0 | 108.7 | E148 S149 | Q146-E148 VanDerWaalsContact C-N 3.3Å; Q146-E148 PolarHBondContact O-N 2.71Å; Q146-S149 CarbonylContact C-O 3.52Å; Q146-S149 WeakPolarHBondContact CA-O 3.41Å; Q146-S149 WeakPolarHBondContact CB-O 3.44Å; Q146-S149 PolarHBondContact N-O 3.31Å; Q146-S149 VanDerWaalsContact O-O 3.09Å; Q146-S149 PolarHBondContact OE1-OG 2.9Å | ||
| 147 | D | 96.4 | Very high | 96.3 | Very high | 174 Ų | 174 | 83.6 Ų | 83.6 | 93% | 0.93 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -57.7 | -37.7 | -173.9 | -64.8 | -17.6 | 0 | 0 | 0 | 113.9 | ||
| 148 | E | 97.4 | Very high | 96.5 | Very high | 201 Ų | 201 | 85.1 Ų | 85.1 | 94% | 0.939 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -126.8 | 12.5 | -178.9 | -61.8 | -161.9 | 118.9 | 0 | 0 | 113.5 | Q146 | Q146-E148 VanDerWaalsContact C-N 3.3Å; Q146-E148 PolarHBondContact O-N 2.71Å |
| 149 | S | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 88.6 Ų | 88.6 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | trans | -151.6 | 149 | 175.7 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | Q146 | Q146-S149 CarbonylContact C-O 3.52Å; Q146-S149 WeakPolarHBondContact CA-O 3.41Å; Q146-S149 WeakPolarHBondContact CB-O 3.44Å; Q146-S149 PolarHBondContact N-O 3.31Å; Q146-S149 VanDerWaalsContact O-O 3.09Å; Q146-S149 PolarHBondContact OE1-OG 2.9Å | ||
| 150 | A | 97.7 | Very high | 96.8 | Very high | 72 Ų | 72 | 87.6 Ų | 87.6 | 60% | 0.595 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q144 L145 | Q144-A150 CarbonylContact O-C 3.6Å; Q144-A150 WeakPolarHBondContact O-CA 3.42Å; L145-A150 HydrophobicContact CD1-CB 4.05Å |
| 151 | R | 97.5 | Very high | 97.1 | Very high | 148 Ų | 148 | 85.1 Ų | 85.1 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.7 | 175.2 | 176.9 | -175.6 | -67.7 | 174.2 | -0.3 | 109.8 | Q144 I153 | Q144-R151 HydrophobicContact CB-CB 4.39Å; Q144-R151 PolarHBondContact N-O 3.5Å; Q144-R151 PolarHBondContact O-N 2.84Å; R151-I153 HydrophobicContact CG-CD1 4.2Å |
| 152 | D | 98.1 | Very high | 97.3 | Very high | 84 Ų | 84 | 87.3 Ų | 87.3 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131 | 170.8 | -56.5 | -63.6 | 0 | 0 | 0 | 109.3 | I138 E142 H143 | I138-D152 HydrophobicContact CD1-CB 3.88Å; I138-D152 HydrophobicContact CG1-CB 3.73Å; E142-D152 WeakPolarHBondContact O-CA 3.24Å; H143-D152 IonicContact CE1-OD1 3.73Å; H143-D152 IonicContact CG-OD1 3.62Å; H143-D152 IonicContact ND1-OD1 2.72Å; H143-D152 PolarHBondContact ND1-OD1 3.11Å |
| 153 | I | 97.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 83.5 Ų | 83.5 | 31% | 0.313 | 43% | 0.427 | S | S | . | . | trans | -90.3 | 127.5 | 176.3 | -59.5 | -59.5 | 0 | 0 | 0 | 109.3 | G141 E142 R151 D155 | G141-I153 WeakPolarHBondContact CA-O 3.45Å; E142-I153 HydrophobicContact CB-CB 4.33Å; E142-I153 HydrophobicContact CB-CG1 3.94Å; E142-I153 PolarHBondContact O-N 2.84Å; R151-I153 HydrophobicContact CG-CD1 4.2Å; I153-D155 HydrophobicContact CG2-CB 4.47Å | ||
| 154 | N | 98 | Very high | 97.6 | Very high | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | trans | -113.3 | 107.1 | 170.8 | -174.9 | 23.3 | 0 | 0 | 0 | 109.4 | G137 I138 Y156 T190 E235 | G137-N154 WeakPolarHBondContact CA-OD1 3.07Å; I138-N154 HydrophobicContact CB-CB 3.96Å; I138-N154 HydrophobicContact CG1-CB 4.32Å; I138-N154 PolarHBondContact N-OD1 3.47Å; N154-Y156 WeakPolarHBondContact OD1-CE2 3.44Å; N154-T190 VanDerWaalsContact O-CG2 3.27Å; N154-T190 WeakPolarHBondContact O-CG2 3.48Å; N154-E235 PolarHBondContact ND2-OE2 2.73Å | ||
| 155 | D | 96.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | trans | -132 | 154.1 | 177 | 62.4 | -5 | 0 | 0 | 0 | 112.8 | G137 I153 | G137-D155 WeakPolarHBondContact CA-O 3.35Å; G137-D155 PolarHBondContact N-O 3Å; I153-D155 HydrophobicContact CG2-CB 4.47Å | ||
| 156 | Y | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | trans | -146.2 | 139.3 | 174.3 | -71.6 | -86.6 | 0 | 0 | 0 | 108.9 | E133 G137 N154 I161 T190 W194 E235 N236 | E133-Y156 HydrophobicContact CB-CE1 4.44Å; E133-Y156 HydrophobicContact CG-CE1 4.16Å; G137-Y156 VanDerWaalsContact CA-CE2 3.46Å; G137-Y156 WeakPolarHBondContact CA-OH 3.47Å; N154-Y156 WeakPolarHBondContact OD1-CE2 3.44Å; Y156-I161 HydrophobicContact CD1-CG1 4.41Å; Y156-I161 HydrophobicContact CG-CG1 4.33Å; Y156-T190 HydrophobicContact CD2-CG2 4.01Å; Y156-W194 HydrophobicContact CD1-CZ2 4.22Å; Y156-W194 AromaticContact CD1-NE1 3.91Å; Y156-W194 AromaticContact CD2-NE1 3.46Å; Y156-W194 AromaticContact CE1-CZ2 3.95Å; Y156-W194 HydrophobicContact CE1-CZ2 3.95Å; Y156-W194 AromaticContact CE2-NE1 3.72Å; Y156-W194 AromaticContact CG-NE1 3.57Å; Y156-E235 HydrophobicContact CE2-CB 3.97Å; Y156-E235 WeakPolarHBondContact CE2-OE2 3.27Å; Y156-E235 WeakPolarHBondContact OH-CB 3.44Å; Y156-N236 WeakPolarHBondContact OH-CB 3.17Å; Y156-N236 PolarHBondContact OH-N 3.22Å | ||
| 157 | S | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -80.5 | 154.2 | 163.1 | 71.3 | 0 | 0 | 0 | 0 | 110.8 | Q159 E160 I161 | S157-Q159 PolarHBondContact O-N 2.85Å; S157-E160 VanDerWaalsContact CB-OE2 3.28Å; S157-E160 WeakPolarHBondContact CB-OE2 3.38Å; S157-E160 PolarHBondContact N-OE2 2.89Å; S157-E160 PolarHBondContact O-N 2.75Å; S157-E160 VanDerWaalsContact OG-CD 3.28Å; S157-E160 VanDerWaalsContact OG-CG 3.28Å; S157-E160 WeakPolarHBondContact OG-CG 3.39Å; S157-E160 PolarHBondContact OG-N 2.85Å; S157-E160 VanDerWaalsContact OG-N 3.15Å; S157-E160 PolarHBondContact OG-OE2 2.73Å; S157-I161 WeakPolarHBondContact O-CG1 3.42Å; S157-I161 PolarHBondContact O-N 3.4Å | ||
| 158 | A | 98.6 | Very high | 98 | Very high | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -27 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | R162 L193 V197 | A158-R162 WeakPolarHBondContact O-CB 3.31Å; A158-R162 PolarHBondContact O-N 2.89Å; A158-R162 PolarHBondContact O-NH1 2.85Å; A158-L193 HydrophobicContact CB-CD1 4.4Å; A158-V197 HydrophobicContact CB-CG2 4.07Å |
| 159 | Q | 97.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73 | -42.9 | 179.6 | -175.8 | 60.8 | 11.7 | 0 | 0 | 111.9 | S157 I161 R162 R163 | S157-Q159 PolarHBondContact O-N 2.85Å; Q159-I161 VanDerWaalsContact C-N 3.29Å; Q159-I161 PolarHBondContact O-N 2.83Å; Q159-R162 PolarHBondContact O-N 3.03Å; Q159-R163 PolarHBondContact O-N 3.19Å; Q159-R163 VanDerWaalsContact O-N 3.12Å |
| 160 | E | 97.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 27% | 0.271 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.2 | -73.1 | 159.8 | 138.9 | 0 | 0 | 111.6 | S157 R163 I164 | S157-E160 VanDerWaalsContact CB-OE2 3.28Å; S157-E160 WeakPolarHBondContact CB-OE2 3.38Å; S157-E160 PolarHBondContact N-OE2 2.89Å; S157-E160 PolarHBondContact O-N 2.75Å; S157-E160 VanDerWaalsContact OG-CD 3.28Å; S157-E160 VanDerWaalsContact OG-CG 3.28Å; S157-E160 WeakPolarHBondContact OG-CG 3.39Å; S157-E160 PolarHBondContact OG-N 2.85Å; S157-E160 VanDerWaalsContact OG-N 3.15Å; S157-E160 PolarHBondContact OG-OE2 2.73Å; E160-R163 WeakPolarHBondContact O-CG 3.41Å; E160-I164 WeakPolarHBondContact O-CG2 3.28Å |
| 161 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 175.7 | -60.6 | 168.7 | 0 | 0 | 0 | 110.4 | Y156 S157 Q159 R163 I164 I165 L193 W194 V197 | Y156-I161 HydrophobicContact CD1-CG1 4.41Å; Y156-I161 HydrophobicContact CG-CG1 4.33Å; S157-I161 WeakPolarHBondContact O-CG1 3.42Å; S157-I161 PolarHBondContact O-N 3.4Å; Q159-I161 VanDerWaalsContact C-N 3.29Å; Q159-I161 PolarHBondContact O-N 2.83Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.43Å; I161-I164 WeakPolarHBondContact O-CG2 3.41Å; I161-I164 PolarHBondContact O-N 3.24Å; I161-I165 HydrophobicContact CG2-CG1 3.91Å; I161-I165 WeakPolarHBondContact O-CB 3.28Å; I161-I165 VanDerWaalsContact O-CG1 3.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.47Å; I161-I165 PolarHBondContact O-N 2.8Å; I161-L193 HydrophobicContact CD1-CB 4.24Å; I161-L193 HydrophobicContact CD1-CD2 3.79Å; I161-L193 HydrophobicContact CD1-CG 3.72Å; I161-W194 VanDerWaalsContact CD1-CD1 3.48Å; I161-W194 HydrophobicContact CD1-CD2 4.34Å; I161-W194 HydrophobicContact CD1-CG 3.9Å; I161-W194 HydrophobicContact CG1-CD2 4.03Å; I161-W194 HydrophobicContact CG1-CG 4.13Å; I161-W194 HydrophobicContact CG1-CZ2 4.21Å; I161-W194 HydrophobicContact CG2-CD2 3.81Å; I161-W194 HydrophobicContact CG2-CE3 3.89Å; I161-W194 HydrophobicContact CG2-CG 4.1Å; I161-W194 HydrophobicContact CG2-CZ3 4.4Å; I161-V197 HydrophobicContact CB-CB 4.37Å; I161-V197 HydrophobicContact CB-CG1 4.14Å; I161-V197 HydrophobicContact CG2-CB 3.68Å; I161-V197 HydrophobicContact CG2-CG1 3.64Å; I161-V197 HydrophobicContact CG2-CG2 4.28Å |
| 162 | R | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 44.8 Ų | 44.8 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | -175.4 | -175 | 171.7 | -65.4 | 96.2 | 4 | 112.4 | A158 Q159 R166 V197 E200 V201 | A158-R162 WeakPolarHBondContact O-CB 3.31Å; A158-R162 PolarHBondContact O-N 2.89Å; A158-R162 PolarHBondContact O-NH1 2.85Å; Q159-R162 PolarHBondContact O-N 3.03Å; R162-R166 WeakPolarHBondContact O-CB 3.42Å; R162-R166 WeakPolarHBondContact O-CG 3.5Å; R162-R166 PolarHBondContact O-N 3.08Å; R162-V197 HydrophobicContact CB-CG1 3.83Å; R162-V197 HydrophobicContact CG-CG1 4.44Å; R162-E200 IonicContact NH2-OE2 2.94Å; R162-E200 PolarHBondContact NH2-OE2 2.97Å; R162-V201 HydrophobicContact CG-CG2 3.78Å |
| 163 | R | 97.7 | Very high | 98.1 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 179.3 | 60.4 | 175.7 | -175.2 | 179.2 | 5.9 | 112.3 | N98 F100 E133 T135 Q159 E160 I161 R166 K167 | N98-R163 PolarHBondContact ND2-NH1 3.36Å; N98-R163 PolarHBondContact OD1-NH1 2.85Å; F100-R163 VanDerWaalsContact CB-NH2 3.27Å; F100-R163 HydrophobicContact CD2-CB 4.49Å; F100-R163 HydrophobicContact CD2-CG 3.76Å; F100-R163 HydrophobicContact CE2-CB 3.88Å; F100-R163 HydrophobicContact CE2-CG 3.64Å; F100-R163 HydrophobicContact CG-CG 4.49Å; F100-R163 HydrophobicContact CZ-CB 4.2Å; F100-R163 HydrophobicContact CZ-CG 4.29Å; E133-R163 IonicContact OE1-NH2 2.62Å; E133-R163 PolarHBondContact OE1-NH2 3.03Å; E133-R163 VanDerWaalsContact OE1-NH2 3.07Å; T135-R163 PolarHBondContact OG1-NH2 3.08Å; Q159-R163 PolarHBondContact O-N 3.19Å; Q159-R163 VanDerWaalsContact O-N 3.12Å; E160-R163 WeakPolarHBondContact O-CG 3.41Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.43Å; R163-R166 PolarHBondContact O-N 3.37Å; R163-K167 PolarHBondContact O-N 3.05Å |
| 164 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.1 | -39 | -178.3 | -172 | 64.9 | 0 | 0 | 0 | 111.6 | F100 A101 V131 E133 E160 I161 K167 A168 W194 V233 | F100-I164 HydrophobicContact CD2-CB 4.29Å; F100-I164 HydrophobicContact CD2-CD1 4.21Å; F100-I164 HydrophobicContact CE2-CB 4.32Å; F100-I164 HydrophobicContact CE2-CD1 4.25Å; A101-I164 HydrophobicContact CB-CD1 3.49Å; A101-I164 VanDerWaalsContact CB-CD1 3.49Å; V131-I164 HydrophobicContact CG1-CD1 3.46Å; V131-I164 VanDerWaalsContact CG1-CD1 3.46Å; V131-I164 HydrophobicContact CG1-CG1 4Å; E133-I164 HydrophobicContact CB-CB 4.43Å; E133-I164 HydrophobicContact CB-CG1 4.13Å; E133-I164 HydrophobicContact CB-CG2 4.17Å; E133-I164 HydrophobicContact CG-CB 4.19Å; E133-I164 HydrophobicContact CG-CG1 4.4Å; E133-I164 HydrophobicContact CG-CG2 3.93Å; E160-I164 WeakPolarHBondContact O-CG2 3.28Å; I161-I164 WeakPolarHBondContact O-CG2 3.41Å; I161-I164 PolarHBondContact O-N 3.24Å; I164-K167 PolarHBondContact O-N 2.86Å; I164-A168 PolarHBondContact O-N 3.05Å; I164-W194 HydrophobicContact CG2-CH2 3.5Å; I164-W194 VanDerWaalsContact CG2-CH2 3.5Å; I164-W194 HydrophobicContact CG2-CZ2 4.31Å; I164-W194 HydrophobicContact CG2-CZ3 3.92Å; I164-V233 HydrophobicContact CG1-CG2 4.17Å |
| 165 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -49 | 173 | -64.4 | -64.1 | 0 | 0 | 0 | 110.2 | I161 K167 A168 F169 W194 A198 V201 V233 | I161-I165 HydrophobicContact CG2-CG1 3.91Å; I161-I165 WeakPolarHBondContact O-CB 3.28Å; I161-I165 VanDerWaalsContact O-CG1 3.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.47Å; I161-I165 PolarHBondContact O-N 2.8Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.81Å; I165-A168 WeakPolarHBondContact O-CB 3.32Å; I165-A168 PolarHBondContact O-N 3.33Å; I165-A168 VanDerWaalsContact O-N 3.08Å; I165-F169 HydrophobicContact CG2-CD2 3.67Å; I165-F169 HydrophobicContact CG2-CE2 3.64Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å; I165-F169 PolarHBondContact O-N 3.29Å; I165-W194 HydrophobicContact CD1-CE3 3.97Å; I165-W194 HydrophobicContact CD1-CZ3 3.85Å; I165-W194 HydrophobicContact CG1-CE3 4.47Å; I165-W194 HydrophobicContact CG1-CZ3 4.36Å; I165-A198 HydrophobicContact CD1-CB 4.14Å; I165-A198 HydrophobicContact CG1-CB 4.5Å; I165-A198 HydrophobicContact CG2-CB 4.44Å; I165-V201 HydrophobicContact CB-CG2 4.42Å; I165-V201 HydrophobicContact CG2-CB 3.69Å; I165-V201 HydrophobicContact CG2-CG1 3.74Å; I165-V201 HydrophobicContact CG2-CG2 4.02Å; I165-V233 HydrophobicContact CD1-CB 4.39Å; I165-V233 HydrophobicContact CD1-CG1 3.6Å; I165-V233 HydrophobicContact CD1-CG2 3.86Å |
| 166 | R | 98.6 | Very high | 97.9 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.8 | -44.4 | 176.4 | -82.4 | -166.6 | -172.2 | -74.4 | -2.5 | 112 | R162 R163 A168 F169 E170 V201 D204 F205 | R162-R166 WeakPolarHBondContact O-CB 3.42Å; R162-R166 WeakPolarHBondContact O-CG 3.5Å; R162-R166 PolarHBondContact O-N 3.08Å; R163-R166 PolarHBondContact O-N 3.37Å; R166-A168 VanDerWaalsContact C-N 3.29Å; R166-A168 PolarHBondContact O-N 3.15Å; R166-F169 PolarHBondContact O-N 2.75Å; R166-F169 VanDerWaalsContact O-N 3.13Å; R166-E170 WeakPolarHBondContact O-CG 3.31Å; R166-E170 PolarHBondContact O-N 3.46Å; R166-V201 HydrophobicContact CB-CG1 4.46Å; R166-V201 HydrophobicContact CG-CG1 3.62Å; R166-V201 HydrophobicContact CG-CG2 4.24Å; R166-D204 IonicContact CZ-OD2 2.89Å; R166-D204 IonicContact NH1-OD2 3.89Å; R166-D204 PolarHBondContact NH1-OD2 3.41Å; R166-D204 IonicContact NH2-OD2 3.11Å; R166-D204 PolarHBondContact NH2-OD2 2.83Å; R166-F205 HydrophobicContact CG-CE2 4.18Å; R166-F205 HydrophobicContact CG-CZ 4.47Å |
| 167 | K | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 177.2 | -171.8 | 65.5 | 175.5 | -178.3 | 0 | 112.1 | A101 R163 I164 I165 E170 L171 | A101-K167 HydrophobicContact CB-CG 4.11Å; R163-K167 PolarHBondContact O-N 3.05Å; I164-K167 PolarHBondContact O-N 2.86Å; I165-K167 VanDerWaalsContact C-N 3.29Å; I165-K167 PolarHBondContact O-N 2.81Å; K167-E170 PolarHBondContact O-N 3.19Å; K167-L171 WeakPolarHBondContact O-CB 3.49Å; K167-L171 PolarHBondContact O-N 3.2Å |
| 168 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V131 I164 I165 R166 L171 A172 V179 V231 V233 | V131-A168 HydrophobicContact CB-CB 4.23Å; V131-A168 HydrophobicContact CG1-CB 4.14Å; V131-A168 HydrophobicContact CG2-CB 4.24Å; I164-A168 PolarHBondContact O-N 3.05Å; I165-A168 WeakPolarHBondContact O-CB 3.32Å; I165-A168 PolarHBondContact O-N 3.33Å; I165-A168 VanDerWaalsContact O-N 3.08Å; R166-A168 VanDerWaalsContact C-N 3.29Å; R166-A168 PolarHBondContact O-N 3.15Å; A168-L171 PolarHBondContact O-N 2.92Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.34Å; A168-V179 HydrophobicContact CB-CG1 4.47Å; A168-V231 HydrophobicContact CB-CG1 3.88Å; A168-V233 HydrophobicContact CB-CB 3.63Å; A168-V233 HydrophobicContact CB-CG1 4.11Å; A168-V233 HydrophobicContact CB-CG2 3.75Å |
| 169 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -40.3 | 176.2 | -88 | -90.5 | 0 | 0 | 0 | 113.1 | I165 R166 L171 A172 R173 V179 V201 A202 F205 V208 L210 | I165-F169 HydrophobicContact CG2-CD2 3.67Å; I165-F169 HydrophobicContact CG2-CE2 3.64Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å; I165-F169 PolarHBondContact O-N 3.29Å; R166-F169 PolarHBondContact O-N 2.75Å; R166-F169 VanDerWaalsContact O-N 3.13Å; F169-L171 VanDerWaalsContact C-N 3.34Å; F169-A172 PolarHBondContact O-N 2.83Å; F169-R173 PolarHBondContact O-N 2.98Å; F169-V179 HydrophobicContact CD1-CG2 4.17Å; F169-V179 HydrophobicContact CD2-CG2 4.15Å; F169-V179 HydrophobicContact CE1-CG2 4.4Å; F169-V179 HydrophobicContact CE2-CB 4.35Å; F169-V179 HydrophobicContact CE2-CG1 4.21Å; F169-V179 HydrophobicContact CE2-CG2 4.37Å; F169-V179 HydrophobicContact CG-CG2 4.07Å; F169-V179 HydrophobicContact CZ-CB 4.35Å; F169-V179 HydrophobicContact CZ-CG2 4.49Å; F169-V201 HydrophobicContact CD2-CG1 4Å; F169-V201 HydrophobicContact CE2-CG1 4.34Å; F169-V201 HydrophobicContact CG-CG1 4.49Å; F169-A202 HydrophobicContact CE1-CB 4.07Å; F169-A202 HydrophobicContact CZ-CB 3.66Å; F169-F205 HydrophobicContact CB-CB 4.35Å; F169-F205 HydrophobicContact CB-CD1 3.66Å; F169-F205 HydrophobicContact CB-CD2 3.75Å; F169-F205 HydrophobicContact CB-CE1 3.76Å; F169-F205 HydrophobicContact CB-CE2 3.86Å; F169-F205 HydrophobicContact CB-CG 3.67Å; F169-F205 HydrophobicContact CB-CZ 3.86Å; F169-F205 HydrophobicContact CD1-CB 3.37Å; F169-F205 HydrophobicContact CD1-CD1 4.28Å; F169-F205 AromaticContact CD1-CD2 3.95Å; F169-F205 HydrophobicContact CD1-CD2 3.95Å; F169-F205 AromaticContact CD1-CG 3.64Å; F169-F205 HydrophobicContact CD1-CG 3.64Å; F169-F205 HydrophobicContact CE1-CB 3.96Å; F169-F205 HydrophobicContact CG-CB 4.17Å; F169-F205 HydrophobicContact CG-CD1 4.39Å; F169-F205 AromaticContact CG-CD2 3.91Å; F169-F205 HydrophobicContact CG-CD2 3.91Å; F169-F205 HydrophobicContact CG-CE2 4.38Å; F169-F205 AromaticContact CG-CG 3.92Å; F169-F205 HydrophobicContact CG-CG 3.92Å; F169-V208 HydrophobicContact CD1-CB 3.68Å; F169-V208 HydrophobicContact CD1-CG1 3.51Å; F169-V208 HydrophobicContact CD1-CG2 4.26Å; F169-V208 HydrophobicContact CE1-CB 3.94Å; F169-V208 HydrophobicContact CE1-CG1 3.71Å; F169-L210 HydrophobicContact CE2-CD1 4.37Å; F169-L210 HydrophobicContact CZ-CB 4.02Å; F169-L210 HydrophobicContact CZ-CD1 4.04Å; F169-L210 HydrophobicContact CZ-CD2 4.4Å; F169-L210 HydrophobicContact CZ-CG 4.37Å |
| 170 | E | 97.8 | Very high | 98 | Very high | 94 Ų | 94 | 46.5 Ų | 46.5 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 173.4 | -73 | 167.1 | -174.9 | 0 | 0 | 111.5 | R166 K167 R173 F205 | R166-E170 WeakPolarHBondContact O-CG 3.31Å; R166-E170 PolarHBondContact O-N 3.46Å; K167-E170 PolarHBondContact O-N 3.19Å; E170-R173 PolarHBondContact O-N 2.61Å; E170-F205 HydrophobicContact CG-CE1 3.96Å; E170-F205 HydrophobicContact CG-CZ 4.08Å |
| 171 | L | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 174.6 | -176.5 | 64.5 | 0 | 0 | 0 | 111.6 | I103 V129 V131 K167 A168 F169 R173 L174 V231 | I103-L171 HydrophobicContact CG2-CD2 4.37Å; V129-L171 HydrophobicContact CB-CD2 3.98Å; V129-L171 HydrophobicContact CG1-CD2 3.77Å; V129-L171 HydrophobicContact CG2-CD2 4.27Å; V131-L171 HydrophobicContact CG2-CD2 3.97Å; K167-L171 WeakPolarHBondContact O-CB 3.49Å; K167-L171 PolarHBondContact O-N 3.2Å; A168-L171 PolarHBondContact O-N 2.92Å; F169-L171 VanDerWaalsContact C-N 3.34Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.07Å; L171-L174 PolarHBondContact O-N 3.36Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L171-V231 HydrophobicContact CD2-CG1 4.36Å; L171-V231 HydrophobicContact CD2-CG2 4.21Å; L171-V231 HydrophobicContact CG-CG2 4.19Å |
| 172 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -34.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A168 F169 L174 R175 K177 V179 V208 V231 | A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.34Å; F169-A172 PolarHBondContact O-N 2.83Å; A172-L174 PolarHBondContact O-N 2.93Å; A172-R175 CarbonylContact O-C 3.54Å; A172-R175 PolarHBondContact O-N 3.46Å; A172-K177 WeakPolarHBondContact O-CA 3.48Å; A172-K177 PolarHBondContact O-N 2.8Å; A172-V179 HydrophobicContact CB-CG2 3.58Å; A172-V208 HydrophobicContact CB-CG1 3.84Å; A172-V231 HydrophobicContact CB-CB 4.23Å; A172-V231 HydrophobicContact CB-CG2 3.83Å |
| 173 | R | 98 | Very high | 98.1 | Very high | 97 Ų | 97 | 41 Ų | 41 | 37% | 0.366 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.1 | -29.8 | 174.7 | -83.7 | -169 | 164 | 149.2 | 4.9 | 113.6 | F169 E170 L171 R175 D204 F205 D207 V208 | F169-R173 PolarHBondContact O-N 2.98Å; E170-R173 PolarHBondContact O-N 2.61Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.07Å; R173-R175 VanDerWaalsContact C-N 3.33Å; R173-D204 PolarHBondContact NH2-O 2.86Å; R173-F205 HydrophobicContact CG-CD1 4.31Å; R173-D207 WeakPolarHBondContact CG-OD2 3.44Å; R173-D207 IonicContact CZ-OD1 3.12Å; R173-D207 VanDerWaalsContact CZ-OD1 3.26Å; R173-D207 IonicContact NE-OD1 2.85Å; R173-D207 PolarHBondContact NE-OD1 3.37Å; R173-D207 IonicContact NE-OD2 2.7Å; R173-D207 PolarHBondContact NE-OD2 2.97Å; R173-D207 VanDerWaalsContact NE-OD2 3.11Å; R173-D207 IonicContact NH2-OD1 3.9Å; R173-D207 PolarHBondContact NH2-OD1 2.8Å; R173-V208 HydrophobicContact CG-CG2 3.56Å |
| 174 | L | 95.2 | Very high | 98.1 | Very high | 151 Ų | 151 | 41.1 Ų | 41.1 | 79% | 0.791 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.5 | 178.3 | -57 | 178.5 | 0 | 0 | 0 | 112.8 | L171 A172 | L171-L174 PolarHBondContact O-N 3.36Å; L171-L174 VanDerWaalsContact O-N 3.1Å; A172-L174 PolarHBondContact O-N 2.93Å |
| 175 | R | 96 | Very high | 98 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 31% | 0.306 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -140.4 | -175 | -62.3 | -177.2 | 57.9 | 88.1 | -0.2 | 111.3 | D127 A172 R173 K177 D230 | D127-R175 VanDerWaalsContact CG-NH2 3.26Å; D127-R175 PolarHBondContact O-NH2 2.86Å; D127-R175 IonicContact OD1-CZ 3.67Å; D127-R175 IonicContact OD1-NH1 3.62Å; D127-R175 IonicContact OD1-NH2 2.87Å; D127-R175 PolarHBondContact OD1-NH2 2.9Å; D127-R175 IonicContact OD2-NH2 3.56Å; A172-R175 CarbonylContact O-C 3.54Å; A172-R175 PolarHBondContact O-N 3.46Å; R173-R175 VanDerWaalsContact C-N 3.33Å; R175-K177 PolarHBondContact O-N 3.23Å; R175-K177 VanDerWaalsContact O-N 3.13Å; R175-D230 WeakPolarHBondContact CB-OD1 3.39Å; R175-D230 IonicContact NE-OD1 2.88Å; R175-D230 PolarHBondContact NE-OD1 3.5Å |
| 176 | G | 96.9 | Very high | 97.9 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 62% | 0.619 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 3.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K178 D230 | G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 2.94Å; G176-D230 WeakPolarHBondContact CA-OD2 3.44Å; G176-D230 PolarHBondContact N-OD1 3.34Å; G176-D230 PolarHBondContact N-OD2 3.43Å |
| 177 | K | 98.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 55.5 | 40 | 179.2 | -56.3 | -172.1 | 178.3 | -168.4 | 0 | 113.1 | A172 R175 V208 T209 D230 | A172-K177 WeakPolarHBondContact O-CA 3.48Å; A172-K177 PolarHBondContact O-N 2.8Å; R175-K177 PolarHBondContact O-N 3.23Å; R175-K177 VanDerWaalsContact O-N 3.13Å; K177-V208 HydrophobicContact CB-CG2 4.48Å; K177-V208 CarbonylContact O-C 3.24Å; K177-V208 WeakPolarHBondContact O-CA 3.48Å; K177-T209 PolarHBondContact O-N 2.92Å; K177-D230 PolarHBondContact N-OD2 2.95Å |
| 178 | K | 98.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.8 | 172.8 | -177.1 | 175.3 | 67.5 | -168.4 | 0 | 112.4 | G176 T209 R228 D230 V231 | G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 2.94Å; K178-T209 CarbonylContact C-O 3.59Å; K178-T209 WeakPolarHBondContact CA-O 3.34Å; K178-R228 WeakPolarHBondContact CE-O 3.36Å; K178-R228 PolarHBondContact NZ-O 3.31Å; K178-D230 HydrophobicContact CB-CB 4.09Å; K178-D230 PolarHBondContact N-OD2 2.88Å; K178-D230 WeakPolarHBondContact O-CB 3.43Å; K178-V231 PolarHBondContact O-N 3.11Å; K178-V231 VanDerWaalsContact O-N 3.08Å |
| 179 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.5 | 172.7 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | A168 F169 A172 V208 T209 L210 E211 V231 V233 | A168-V179 HydrophobicContact CB-CG1 4.47Å; F169-V179 HydrophobicContact CD1-CG2 4.17Å; F169-V179 HydrophobicContact CD2-CG2 4.15Å; F169-V179 HydrophobicContact CE1-CG2 4.4Å; F169-V179 HydrophobicContact CE2-CB 4.35Å; F169-V179 HydrophobicContact CE2-CG1 4.21Å; F169-V179 HydrophobicContact CE2-CG2 4.37Å; F169-V179 HydrophobicContact CG-CG2 4.07Å; F169-V179 HydrophobicContact CZ-CB 4.35Å; F169-V179 HydrophobicContact CZ-CG2 4.49Å; A172-V179 HydrophobicContact CB-CG2 3.58Å; V179-V208 HydrophobicContact CB-CG1 4.5Å; V179-V208 HydrophobicContact CG2-CG1 3.84Å; V179-T209 PolarHBondContact N-O 2.75Å; V179-L210 HydrophobicContact CB-CD1 4.43Å; V179-L210 HydrophobicContact CG1-CD1 4.2Å; V179-L210 WeakPolarHBondContact O-CA 3.35Å; V179-E211 PolarHBondContact O-N 2.6Å; V179-V231 CarbonylContact C-O 3.23Å; V179-V231 VanDerWaalsContact CA-O 3.31Å; V179-V231 WeakPolarHBondContact CA-O 3.19Å; V179-V231 HydrophobicContact CG2-CB 4.37Å; V179-V233 HydrophobicContact CG1-CB 4.48Å; V179-V233 HydrophobicContact CG1-CG1 3.55Å |
| 180 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.7 | 167 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | I182 E211 Q213 F229 V231 V232 V233 | T180-I182 HydrophobicContact CG2-CG1 4.23Å; T180-E211 CarbonylContact C-O 3.5Å; T180-E211 WeakPolarHBondContact CA-O 3.34Å; T180-E211 HydrophobicContact CG2-CG 3.96Å; T180-E211 WeakPolarHBondContact OG1-CG 3.37Å; T180-E211 PolarHBondContact OG1-OE1 2.72Å; T180-Q213 HydrophobicContact CG2-CB 3.81Å; T180-F229 HydrophobicContact CG2-CD1 4.26Å; T180-F229 HydrophobicContact CG2-CE1 3.91Å; T180-V231 PolarHBondContact N-O 2.95Å; T180-V232 WeakPolarHBondContact O-CA 3.41Å; T180-V233 PolarHBondContact O-N 3.42Å |
| 181 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 118.4 | 174 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | E211 H212 Q213 | S181-E211 PolarHBondContact N-O 2.69Å; S181-H212 WeakPolarHBondContact CB-ND1 3.41Å; S181-H212 VanDerWaalsContact O-CA 3.29Å; S181-H212 WeakPolarHBondContact O-CA 3.2Å; S181-Q213 PolarHBondContact O-N 2.81Å |
| 182 | I | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.8 | -178.6 | -61.3 | 176.9 | 0 | 0 | 0 | 110.6 | T180 Q213 V215 A218 V232 V233 T234 L242 | T180-I182 HydrophobicContact CG2-CG1 4.23Å; I182-Q213 WeakPolarHBondContact CA-O 3.46Å; I182-Q213 HydrophobicContact CG1-CB 4.34Å; I182-V215 VanDerWaalsContact CG2-CA 3.5Å; I182-V215 HydrophobicContact CG2-CB 3.7Å; I182-V215 HydrophobicContact CG2-CG2 4.1Å; I182-A218 HydrophobicContact CD1-CB 3.56Å; I182-A218 HydrophobicContact CG1-CB 4.04Å; I182-A218 HydrophobicContact CG2-CB 4.12Å; I182-V232 HydrophobicContact CD1-CG1 3.31Å; I182-V232 HydrophobicContact CG1-CG1 4.01Å; I182-V233 PolarHBondContact N-O 3.25Å; I182-T234 PolarHBondContact O-OG1 3.27Å; I182-L242 HydrophobicContact CD1-CD1 3.48Å; I182-L242 VanDerWaalsContact CD1-CD1 3.48Å; I182-L242 HydrophobicContact CG2-CD1 3.94Å |
| 183 | D | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 178.7 | -177.7 | 71.6 | 54.4 | 0 | 0 | 0 | 112.8 | Q185 R195 Q213 L214 V215 | D183-Q185 VanDerWaalsContact OD1-CB 3.29Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.06Å; D183-Q185 VanDerWaalsContact OD1-CG 3.24Å; D183-Q185 WeakPolarHBondContact OD1-CG 3.45Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; D183-R195 VanDerWaalsContact CG-NH2 3.34Å; D183-R195 IonicContact OD1-CZ 2.98Å; D183-R195 IonicContact OD1-NE 3.19Å; D183-R195 IonicContact OD1-NH2 3.88Å; D183-R195 PolarHBondContact OD1-NH2 3.46Å; D183-R195 VanDerWaalsContact OD1-NH2 3.12Å; D183-R195 IonicContact OD2-CZ 2.81Å; D183-R195 IonicContact OD2-NE 3.8Å; D183-R195 PolarHBondContact OD2-NE 2.72Å; D183-R195 IonicContact OD2-NH2 3.97Å; D183-R195 PolarHBondContact OD2-NH2 3.45Å; D183-Q213 PolarHBondContact N-O 3.14Å; D183-Q213 VanDerWaalsContact N-O 3.1Å; D183-L214 CarbonylContact O-C 3.59Å; D183-L214 VanDerWaalsContact O-CA 3.28Å; D183-L214 WeakPolarHBondContact O-CA 3.47Å; D183-V215 PolarHBondContact O-N 3.19Å |
| 184 | K | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | trans | -126.3 | 49.6 | 165.8 | -162.2 | 79 | -171.9 | -172.8 | 0 | 110.7 | N186 V187 L188 S191 V215 D216 F238 | K184-N186 PolarHBondContact O-N 2.78Å; K184-N186 VanDerWaalsContact O-N 3.09Å; K184-N186 PolarHBondContact O-OD1 2.86Å; K184-V187 HydrophobicContact CG-CB 4.08Å; K184-V187 HydrophobicContact CG-CG2 4.2Å; K184-V187 PolarHBondContact O-N 2.68Å; K184-L188 HydrophobicContact CB-CD1 4Å; K184-L188 HydrophobicContact CB-CG 4.19Å; K184-L188 PolarHBondContact O-N 2.93Å; K184-S191 VanDerWaalsContact N-CB 3.35Å; K184-S191 PolarHBondContact N-OG 3.22Å; K184-V215 HydrophobicContact CB-CG1 4.18Å; K184-V215 HydrophobicContact CD-CG1 3.66Å; K184-V215 HydrophobicContact CG-CG1 4.46Å; K184-D216 IonicContact NZ-OD1 2.92Å; K184-D216 PolarHBondContact NZ-OD1 3.29Å; K184-D216 IonicContact NZ-OD2 2.61Å; K184-D216 PolarHBondContact NZ-OD2 3.22Å; K184-F238 HydrophobicContact CB-CE2 3.94Å; K184-F238 HydrophobicContact CB-CZ 3.86Å | ||
| 185 | Q | 96.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.9 | -170.5 | 68.8 | 81.7 | 11.2 | 0 | 0 | 113.7 | D183 V187 S191 K192 L214 | D183-Q185 VanDerWaalsContact OD1-CB 3.29Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.06Å; D183-Q185 VanDerWaalsContact OD1-CG 3.24Å; D183-Q185 WeakPolarHBondContact OD1-CG 3.45Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; Q185-V187 PolarHBondContact O-N 3.31Å; Q185-S191 VanDerWaalsContact N-CB 3.32Å; Q185-K192 HydrophobicContact CB-CG 4.05Å; Q185-K192 WeakPolarHBondContact O-CE 3.37Å; Q185-K192 VanDerWaalsContact O-CG 3.29Å; Q185-K192 WeakPolarHBondContact O-CG 3.36Å; Q185-L214 HydrophobicContact CG-CD2 4.46Å |
| 186 | N | 96.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.4 | 175.6 | 61.2 | -21.6 | 0 | 0 | 0 | 113.3 | K184 | K184-N186 PolarHBondContact O-N 2.78Å; K184-N186 VanDerWaalsContact O-N 3.09Å; K184-N186 PolarHBondContact O-OD1 2.86Å |
| 187 | V | 97.9 | Very high | 98.4 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | -45.5 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | K184 Q185 | K184-V187 HydrophobicContact CG-CB 4.08Å; K184-V187 HydrophobicContact CG-CG2 4.2Å; K184-V187 PolarHBondContact O-N 2.68Å; Q185-V187 PolarHBondContact O-N 3.31Å |
| 188 | L | 98.1 | Very high | 98.4 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | trans | -100.4 | 136.9 | -166.1 | -56.8 | 179.6 | 0 | 0 | 0 | 113.1 | K184 S191 K192 F238 | K184-L188 HydrophobicContact CB-CD1 4Å; K184-L188 HydrophobicContact CB-CG 4.19Å; K184-L188 PolarHBondContact O-N 2.93Å; L188-S191 PolarHBondContact O-N 3.01Å; L188-K192 WeakPolarHBondContact O-CG 3.4Å; L188-K192 PolarHBondContact O-N 3.42Å; L188-K192 VanDerWaalsContact O-N 3.16Å; L188-F238 HydrophobicContact CD1-CE2 4.48Å; L188-F238 HydrophobicContact CD1-CZ 3.87Å | ||
| 189 | A | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 67% | 0.669 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -66.6 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S191 K192 L193 | A189-S191 PolarHBondContact O-N 2.74Å; A189-K192 WeakPolarHBondContact O-CB 3.04Å; A189-K192 PolarHBondContact O-N 3.26Å; A189-L193 PolarHBondContact O-N 3.1Å; A189-L193 VanDerWaalsContact O-N 3.15Å |
| 190 | T | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -51.5 | 173.5 | 49 | 0 | 0 | 0 | 0 | 110.4 | N154 Y156 K192 L193 W194 | N154-T190 VanDerWaalsContact O-CG2 3.27Å; N154-T190 WeakPolarHBondContact O-CG2 3.48Å; Y156-T190 HydrophobicContact CD2-CG2 4.01Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.44Å; T190-L193 WeakPolarHBondContact O-CA 3.33Å; T190-L193 WeakPolarHBondContact O-CB 3.45Å; T190-L193 PolarHBondContact O-N 3.34Å; T190-W194 VanDerWaalsContact O-CD1 3.29Å; T190-W194 PolarHBondContact O-N 2.95Å |
| 191 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -33.7 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 114.2 | K184 Q185 L188 A189 W194 R195 | K184-S191 VanDerWaalsContact N-CB 3.35Å; K184-S191 PolarHBondContact N-OG 3.22Å; Q185-S191 VanDerWaalsContact N-CB 3.32Å; L188-S191 PolarHBondContact O-N 3.01Å; A189-S191 PolarHBondContact O-N 2.74Å; S191-W194 WeakPolarHBondContact O-CB 3.25Å; S191-W194 PolarHBondContact O-N 3.18Å; S191-R195 PolarHBondContact O-N 2.89Å |
| 192 | K | 98.7 | Very high | 98.4 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 172.6 | -70 | 174.1 | -176.2 | 176.5 | 0 | 111.9 | Q185 L188 A189 T190 K196 | Q185-K192 HydrophobicContact CB-CG 4.05Å; Q185-K192 WeakPolarHBondContact O-CE 3.37Å; Q185-K192 VanDerWaalsContact O-CG 3.29Å; Q185-K192 WeakPolarHBondContact O-CG 3.36Å; L188-K192 WeakPolarHBondContact O-CG 3.4Å; L188-K192 PolarHBondContact O-N 3.42Å; L188-K192 VanDerWaalsContact O-N 3.16Å; A189-K192 WeakPolarHBondContact O-CB 3.04Å; A189-K192 PolarHBondContact O-N 3.26Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.44Å; K192-K196 PolarHBondContact O-N 2.85Å; K192-K196 VanDerWaalsContact O-N 3.07Å |
| 193 | L | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.1 | -177 | 62.6 | 0 | 0 | 0 | 111.1 | A158 I161 A189 T190 R195 K196 V197 | A158-L193 HydrophobicContact CB-CD1 4.4Å; I161-L193 HydrophobicContact CD1-CB 4.24Å; I161-L193 HydrophobicContact CD1-CD2 3.79Å; I161-L193 HydrophobicContact CD1-CG 3.72Å; A189-L193 PolarHBondContact O-N 3.1Å; A189-L193 VanDerWaalsContact O-N 3.15Å; T190-L193 WeakPolarHBondContact O-CA 3.33Å; T190-L193 WeakPolarHBondContact O-CB 3.45Å; T190-L193 PolarHBondContact O-N 3.34Å; L193-R195 PolarHBondContact O-N 2.92Å; L193-K196 PolarHBondContact O-N 2.75Å; L193-V197 HydrophobicContact CD1-CG2 4.17Å; L193-V197 HydrophobicContact CG-CG2 4.41Å; L193-V197 WeakPolarHBondContact O-CG2 3.37Å; L193-V197 PolarHBondContact O-N 3.35Å |
| 194 | W | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.9 | -52.9 | 173.6 | -89.7 | 83.2 | 0 | 0 | 0 | 111.9 | E133 Y156 I161 I164 I165 T190 S191 K196 V197 A198 V233 T234 E235 | E133-W194 HydrophobicContact CB-CH2 3.85Å; E133-W194 HydrophobicContact CB-CZ2 3.97Å; E133-W194 HydrophobicContact CG-CH2 4.42Å; E133-W194 HydrophobicContact CG-CZ2 4.34Å; Y156-W194 HydrophobicContact CD1-CZ2 4.22Å; Y156-W194 AromaticContact CD1-NE1 3.91Å; Y156-W194 AromaticContact CD2-NE1 3.46Å; Y156-W194 AromaticContact CE1-CZ2 3.95Å; Y156-W194 HydrophobicContact CE1-CZ2 3.95Å; Y156-W194 AromaticContact CE2-NE1 3.72Å; Y156-W194 AromaticContact CG-NE1 3.57Å; I161-W194 VanDerWaalsContact CD1-CD1 3.48Å; I161-W194 HydrophobicContact CD1-CD2 4.34Å; I161-W194 HydrophobicContact CD1-CG 3.9Å; I161-W194 HydrophobicContact CG1-CD2 4.03Å; I161-W194 HydrophobicContact CG1-CG 4.13Å; I161-W194 HydrophobicContact CG1-CZ2 4.21Å; I161-W194 HydrophobicContact CG2-CD2 3.81Å; I161-W194 HydrophobicContact CG2-CE3 3.89Å; I161-W194 HydrophobicContact CG2-CG 4.1Å; I161-W194 HydrophobicContact CG2-CZ3 4.4Å; I164-W194 HydrophobicContact CG2-CH2 3.5Å; I164-W194 VanDerWaalsContact CG2-CH2 3.5Å; I164-W194 HydrophobicContact CG2-CZ2 4.31Å; I164-W194 HydrophobicContact CG2-CZ3 3.92Å; I165-W194 HydrophobicContact CD1-CE3 3.97Å; I165-W194 HydrophobicContact CD1-CZ3 3.85Å; I165-W194 HydrophobicContact CG1-CE3 4.47Å; I165-W194 HydrophobicContact CG1-CZ3 4.36Å; T190-W194 VanDerWaalsContact O-CD1 3.29Å; T190-W194 PolarHBondContact O-N 2.95Å; S191-W194 WeakPolarHBondContact O-CB 3.25Å; S191-W194 PolarHBondContact O-N 3.18Å; W194-K196 PolarHBondContact O-N 3.02Å; W194-V197 PolarHBondContact O-N 2.97Å; W194-A198 WeakPolarHBondContact O-CB 3.17Å; W194-A198 PolarHBondContact O-N 3.04Å; W194-V233 HydrophobicContact CZ3-CG2 4.43Å; W194-T234 VanDerWaalsContact CH2-C 3.45Å; W194-T234 WeakPolarHBondContact CH2-O 3.4Å; W194-E235 HydrophobicContact CD2-CB 4.41Å; W194-E235 HydrophobicContact CH2-CB 4.28Å; W194-E235 VanDerWaalsContact CZ2-CA 3.46Å; W194-E235 HydrophobicContact CZ2-CB 3.61Å |
| 195 | R | 98.7 | Very high | 98.5 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 177.7 | -176.9 | 165.7 | -66.1 | -144.7 | 9.4 | 112.5 | D183 S191 L193 V197 A198 E199 H212 | D183-R195 VanDerWaalsContact CG-NH2 3.34Å; D183-R195 IonicContact OD1-CZ 2.98Å; D183-R195 IonicContact OD1-NE 3.19Å; D183-R195 IonicContact OD1-NH2 3.88Å; D183-R195 PolarHBondContact OD1-NH2 3.46Å; D183-R195 VanDerWaalsContact OD1-NH2 3.12Å; D183-R195 IonicContact OD2-CZ 2.81Å; D183-R195 IonicContact OD2-NE 3.8Å; D183-R195 PolarHBondContact OD2-NE 2.72Å; D183-R195 IonicContact OD2-NH2 3.97Å; D183-R195 PolarHBondContact OD2-NH2 3.45Å; S191-R195 PolarHBondContact O-N 2.89Å; L193-R195 PolarHBondContact O-N 2.92Å; R195-V197 PolarHBondContact O-N 3.13Å; R195-A198 PolarHBondContact O-N 3.05Å; R195-E199 WeakPolarHBondContact O-CG 3.31Å; R195-E199 PolarHBondContact O-N 3.27Å; R195-H212 VanDerWaalsContact NH2-CB 3.34Å |
| 196 | K | 98.8 | Very high | 98.5 | Very high | 124 Ų | 124 | 59.2 Ų | 59.2 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.8 | -49 | 177.5 | 176.3 | -177.5 | 167.3 | -177.5 | 0 | 111.6 | K192 L193 W194 A198 E199 E200 | K192-K196 PolarHBondContact O-N 2.85Å; K192-K196 VanDerWaalsContact O-N 3.07Å; L193-K196 PolarHBondContact O-N 2.75Å; W194-K196 PolarHBondContact O-N 3.02Å; K196-A198 VanDerWaalsContact C-N 3.32Å; K196-A198 PolarHBondContact O-N 2.92Å; K196-E199 PolarHBondContact O-N 2.97Å; K196-E200 WeakPolarHBondContact CE-OE1 3.49Å; K196-E200 IonicContact NZ-OE1 3.91Å; K196-E200 WeakPolarHBondContact O-CG 3.47Å; K196-E200 PolarHBondContact O-N 3.01Å |
| 197 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.8 | -34.5 | -179.5 | 174 | 0 | 0 | 0 | 0 | 111.2 | A158 I161 R162 L193 W194 R195 E200 V201 | A158-V197 HydrophobicContact CB-CG2 4.07Å; I161-V197 HydrophobicContact CB-CB 4.37Å; I161-V197 HydrophobicContact CB-CG1 4.14Å; I161-V197 HydrophobicContact CG2-CB 3.68Å; I161-V197 HydrophobicContact CG2-CG1 3.64Å; I161-V197 HydrophobicContact CG2-CG2 4.28Å; R162-V197 HydrophobicContact CB-CG1 3.83Å; R162-V197 HydrophobicContact CG-CG1 4.44Å; L193-V197 HydrophobicContact CD1-CG2 4.17Å; L193-V197 HydrophobicContact CG-CG2 4.41Å; L193-V197 WeakPolarHBondContact O-CG2 3.37Å; L193-V197 PolarHBondContact O-N 3.35Å; W194-V197 PolarHBondContact O-N 2.97Å; R195-V197 PolarHBondContact O-N 3.13Å; V197-E200 PolarHBondContact O-N 3.06Å; V197-V201 HydrophobicContact CG1-CG2 4.24Å; V197-V201 WeakPolarHBondContact O-CG2 3.38Å; V197-V201 PolarHBondContact O-N 2.78Å |
| 198 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I165 W194 R195 K196 V201 A202 L210 | I165-A198 HydrophobicContact CD1-CB 4.14Å; I165-A198 HydrophobicContact CG1-CB 4.5Å; I165-A198 HydrophobicContact CG2-CB 4.44Å; W194-A198 WeakPolarHBondContact O-CB 3.17Å; W194-A198 PolarHBondContact O-N 3.04Å; R195-A198 PolarHBondContact O-N 3.05Å; K196-A198 VanDerWaalsContact C-N 3.32Å; K196-A198 PolarHBondContact O-N 2.92Å; A198-V201 PolarHBondContact O-N 2.95Å; A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 3.32Å; A198-L210 HydrophobicContact CB-CD2 4.31Å |
| 199 | E | 98.9 | Very high | 98.7 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.4 | -65.3 | -70.3 | 173.8 | 0 | 0 | 112.1 | R195 K196 A202 H212 | R195-E199 WeakPolarHBondContact O-CG 3.31Å; R195-E199 PolarHBondContact O-N 3.27Å; K196-E199 PolarHBondContact O-N 2.97Å; E199-A202 PolarHBondContact O-N 2.8Å; E199-H212 IonicContact OE1-CD2 3.07Å; E199-H212 PolarHBondContact OE1-CD2 2.99Å; E199-H212 IonicContact OE1-CE1 2.84Å; E199-H212 IonicContact OE1-NE2 3.15Å; E199-H212 PolarHBondContact OE1-NE2 3.24Å |
| 200 | E | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.6 | -73.8 | 173.9 | -172.5 | 0 | 0 | 111.9 | R162 K196 V197 L203 | R162-E200 IonicContact NH2-OE2 2.94Å; R162-E200 PolarHBondContact NH2-OE2 2.97Å; K196-E200 WeakPolarHBondContact CE-OE1 3.49Å; K196-E200 IonicContact NZ-OE1 3.91Å; K196-E200 WeakPolarHBondContact O-CG 3.47Å; K196-E200 PolarHBondContact O-N 3.01Å; V197-E200 PolarHBondContact O-N 3.06Å; E200-L203 WeakPolarHBondContact O-CB 3.4Å; E200-L203 PolarHBondContact O-N 2.83Å |
| 201 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | -179.1 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | R162 I165 R166 F169 V197 A198 L203 D204 F205 | R162-V201 HydrophobicContact CG-CG2 3.78Å; I165-V201 HydrophobicContact CB-CG2 4.42Å; I165-V201 HydrophobicContact CG2-CB 3.69Å; I165-V201 HydrophobicContact CG2-CG1 3.74Å; I165-V201 HydrophobicContact CG2-CG2 4.02Å; R166-V201 HydrophobicContact CB-CG1 4.46Å; R166-V201 HydrophobicContact CG-CG1 3.62Å; R166-V201 HydrophobicContact CG-CG2 4.24Å; F169-V201 HydrophobicContact CD2-CG1 4Å; F169-V201 HydrophobicContact CE2-CG1 4.34Å; F169-V201 HydrophobicContact CG-CG1 4.49Å; V197-V201 HydrophobicContact CG1-CG2 4.24Å; V197-V201 WeakPolarHBondContact O-CG2 3.38Å; V197-V201 PolarHBondContact O-N 2.78Å; A198-V201 PolarHBondContact O-N 2.95Å; V201-L203 PolarHBondContact O-N 2.92Å; V201-L203 VanDerWaalsContact O-N 3.08Å; V201-D204 WeakPolarHBondContact O-CB 3.35Å; V201-D204 PolarHBondContact O-N 2.96Å; V201-F205 HydrophobicContact CG1-CD2 3.96Å; V201-F205 HydrophobicContact CG1-CE2 3.73Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å |
| 202 | A | 98.8 | Very high | 98.7 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -29 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F169 A198 E199 D204 F205 L210 | F169-A202 HydrophobicContact CE1-CB 4.07Å; F169-A202 HydrophobicContact CZ-CB 3.66Å; A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 3.32Å; E199-A202 PolarHBondContact O-N 2.8Å; A202-D204 PolarHBondContact O-N 3.24Å; A202-F205 CarbonylContact O-C 3.47Å; A202-F205 PolarHBondContact O-N 3.42Å; A202-L210 HydrophobicContact CB-CB 4.18Å; A202-L210 HydrophobicContact CB-CD2 3.77Å |
| 203 | L | 98.7 | Very high | 98.7 | Very high | 140 Ų | 140 | 52.3 Ų | 52.3 | 73% | 0.733 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.9 | 176.3 | -59.7 | 177 | 0 | 0 | 0 | 113.2 | E200 V201 F205 | E200-L203 WeakPolarHBondContact O-CB 3.4Å; E200-L203 PolarHBondContact O-N 2.83Å; V201-L203 PolarHBondContact O-N 2.92Å; V201-L203 VanDerWaalsContact O-N 3.08Å; L203-F205 VanDerWaalsContact C-N 3.32Å |
| 204 | D | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.6 | 177.2 | -61.3 | -32.7 | 0 | 0 | 0 | 113.1 | R166 R173 V201 A202 P206 | R166-D204 IonicContact CZ-OD2 2.89Å; R166-D204 IonicContact NH1-OD2 3.89Å; R166-D204 PolarHBondContact NH1-OD2 3.41Å; R166-D204 IonicContact NH2-OD2 3.11Å; R166-D204 PolarHBondContact NH2-OD2 2.83Å; R173-D204 PolarHBondContact NH2-O 2.86Å; V201-D204 WeakPolarHBondContact O-CB 3.35Å; V201-D204 PolarHBondContact O-N 2.96Å; A202-D204 PolarHBondContact O-N 3.24Å; D204-P206 VanDerWaalsContact C-CD 3.4Å; D204-P206 WeakPolarHBondContact O-CD 3.33Å |
| 205 | F | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | trans | -126.8 | 60.5 | -178.2 | -60.3 | -98.1 | 0 | 0 | 0 | 111.4 | R166 F169 E170 R173 V201 A202 L203 D207 V208 | R166-F205 HydrophobicContact CG-CE2 4.18Å; R166-F205 HydrophobicContact CG-CZ 4.47Å; F169-F205 HydrophobicContact CB-CB 4.35Å; F169-F205 HydrophobicContact CB-CD1 3.66Å; F169-F205 HydrophobicContact CB-CD2 3.75Å; F169-F205 HydrophobicContact CB-CE1 3.76Å; F169-F205 HydrophobicContact CB-CE2 3.86Å; F169-F205 HydrophobicContact CB-CG 3.67Å; F169-F205 HydrophobicContact CB-CZ 3.86Å; F169-F205 HydrophobicContact CD1-CB 3.37Å; F169-F205 HydrophobicContact CD1-CD1 4.28Å; F169-F205 AromaticContact CD1-CD2 3.95Å; F169-F205 HydrophobicContact CD1-CD2 3.95Å; F169-F205 AromaticContact CD1-CG 3.64Å; F169-F205 HydrophobicContact CD1-CG 3.64Å; F169-F205 HydrophobicContact CE1-CB 3.96Å; F169-F205 HydrophobicContact CG-CB 4.17Å; F169-F205 HydrophobicContact CG-CD1 4.39Å; F169-F205 AromaticContact CG-CD2 3.91Å; F169-F205 HydrophobicContact CG-CD2 3.91Å; F169-F205 HydrophobicContact CG-CE2 4.38Å; F169-F205 AromaticContact CG-CG 3.92Å; F169-F205 HydrophobicContact CG-CG 3.92Å; E170-F205 HydrophobicContact CG-CE1 3.96Å; E170-F205 HydrophobicContact CG-CZ 4.08Å; R173-F205 HydrophobicContact CG-CD1 4.31Å; V201-F205 HydrophobicContact CG1-CD2 3.96Å; V201-F205 HydrophobicContact CG1-CE2 3.73Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å; A202-F205 CarbonylContact O-C 3.47Å; A202-F205 PolarHBondContact O-N 3.42Å; L203-F205 VanDerWaalsContact C-N 3.32Å; F205-D207 PolarHBondContact O-N 3.28Å; F205-V208 HydrophobicContact CB-CB 4.18Å; F205-V208 HydrophobicContact CB-CG2 4.23Å; F205-V208 PolarHBondContact O-N 2.9Å | ||
| 206 | P | 98.3 | Very high | 98.7 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 75% | 0.753 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.4 | -175.5 | 28.3 | -37.2 | 0 | 0 | 0 | 113.9 | D204 | D204-P206 VanDerWaalsContact C-CD 3.4Å; D204-P206 WeakPolarHBondContact O-CD 3.33Å |
| 207 | D | 98.5 | Very high | 98.7 | Very high | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -4.3 | 176.2 | 63.2 | -54.1 | 0 | 0 | 0 | 113.9 | R173 F205 | R173-D207 WeakPolarHBondContact CG-OD2 3.44Å; R173-D207 IonicContact CZ-OD1 3.12Å; R173-D207 VanDerWaalsContact CZ-OD1 3.26Å; R173-D207 IonicContact NE-OD1 2.85Å; R173-D207 PolarHBondContact NE-OD1 3.37Å; R173-D207 IonicContact NE-OD2 2.7Å; R173-D207 PolarHBondContact NE-OD2 2.97Å; R173-D207 VanDerWaalsContact NE-OD2 3.11Å; R173-D207 IonicContact NH2-OD1 3.9Å; R173-D207 PolarHBondContact NH2-OD1 2.8Å; F205-D207 PolarHBondContact O-N 3.28Å |
| 208 | V | 98.8 | Very high | 98.7 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -113.9 | 128.3 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | F169 A172 R173 K177 V179 F205 L210 | F169-V208 HydrophobicContact CD1-CB 3.68Å; F169-V208 HydrophobicContact CD1-CG1 3.51Å; F169-V208 HydrophobicContact CD1-CG2 4.26Å; F169-V208 HydrophobicContact CE1-CB 3.94Å; F169-V208 HydrophobicContact CE1-CG1 3.71Å; A172-V208 HydrophobicContact CB-CG1 3.84Å; R173-V208 HydrophobicContact CG-CG2 3.56Å; K177-V208 HydrophobicContact CB-CG2 4.48Å; K177-V208 CarbonylContact O-C 3.24Å; K177-V208 WeakPolarHBondContact O-CA 3.48Å; V179-V208 HydrophobicContact CB-CG1 4.5Å; V179-V208 HydrophobicContact CG2-CG1 3.84Å; F205-V208 HydrophobicContact CB-CB 4.18Å; F205-V208 HydrophobicContact CB-CG2 4.23Å; F205-V208 PolarHBondContact O-N 2.9Å; V208-L210 PolarHBondContact O-N 3Å |
| 209 | T | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 51 Ų | 51 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.6 | 175.8 | -60 | 0 | 0 | 0 | 0 | 110.1 | K177 K178 V179 | K177-T209 PolarHBondContact O-N 2.92Å; K178-T209 CarbonylContact C-O 3.59Å; K178-T209 WeakPolarHBondContact CA-O 3.34Å; V179-T209 PolarHBondContact N-O 2.75Å |
| 210 | L | 98.9 | Very high | 98.6 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.2 | 167.2 | 178.9 | 61.1 | 0 | 0 | 0 | 110 | F169 V179 A198 A202 V208 | F169-L210 HydrophobicContact CE2-CD1 4.37Å; F169-L210 HydrophobicContact CZ-CB 4.02Å; F169-L210 HydrophobicContact CZ-CD1 4.04Å; F169-L210 HydrophobicContact CZ-CD2 4.4Å; F169-L210 HydrophobicContact CZ-CG 4.37Å; V179-L210 HydrophobicContact CB-CD1 4.43Å; V179-L210 HydrophobicContact CG1-CD1 4.2Å; V179-L210 WeakPolarHBondContact O-CA 3.35Å; A198-L210 HydrophobicContact CB-CD2 4.31Å; A202-L210 HydrophobicContact CB-CB 4.18Å; A202-L210 HydrophobicContact CB-CD2 3.77Å; V208-L210 PolarHBondContact O-N 3Å |
| 211 | E | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 50 Ų | 50 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.8 | 160.6 | 64.9 | 173.7 | -150.9 | 0 | 0 | 110.3 | V179 T180 S181 R228 | V179-E211 PolarHBondContact O-N 2.6Å; T180-E211 CarbonylContact C-O 3.5Å; T180-E211 WeakPolarHBondContact CA-O 3.34Å; T180-E211 HydrophobicContact CG2-CG 3.96Å; T180-E211 WeakPolarHBondContact OG1-CG 3.37Å; T180-E211 PolarHBondContact OG1-OE1 2.72Å; S181-E211 PolarHBondContact N-O 2.69Å; E211-R228 IonicContact OE1-CZ 3.24Å; E211-R228 IonicContact OE1-NE 3.64Å; E211-R228 IonicContact OE1-NH2 2.69Å; E211-R228 PolarHBondContact OE1-NH2 2.83Å; E211-R228 IonicContact OE2-NH2 3.64Å; E211-R228 PolarHBondContact OE2-NH2 2.58Å |
| 212 | H | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 50 Ų | 50 | 18% | 0.181 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.6 | 174.3 | -57.8 | -85.1 | 0 | 0 | 0 | 111.2 | S181 R195 E199 | S181-H212 WeakPolarHBondContact CB-ND1 3.41Å; S181-H212 VanDerWaalsContact O-CA 3.29Å; S181-H212 WeakPolarHBondContact O-CA 3.2Å; R195-H212 VanDerWaalsContact NH2-CB 3.34Å; E199-H212 IonicContact OE1-CD2 3.07Å; E199-H212 PolarHBondContact OE1-CD2 2.99Å; E199-H212 IonicContact OE1-CE1 2.84Å; E199-H212 IonicContact OE1-NE2 3.15Å; E199-H212 PolarHBondContact OE1-NE2 3.24Å |
| 213 | Q | 98.7 | Very high | 98.4 | Very high | 31 Ų | 31 | 52 Ų | 52 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.3 | 177.9 | -165.9 | 62.3 | 62.9 | 0 | 0 | 110.3 | T180 S181 I182 D183 S217 A218 I221 | T180-Q213 HydrophobicContact CG2-CB 3.81Å; S181-Q213 PolarHBondContact O-N 2.81Å; I182-Q213 WeakPolarHBondContact CA-O 3.46Å; I182-Q213 HydrophobicContact CG1-CB 4.34Å; D183-Q213 PolarHBondContact N-O 3.14Å; D183-Q213 VanDerWaalsContact N-O 3.1Å; Q213-S217 VanDerWaalsContact NE2-CB 3.27Å; Q213-S217 PolarHBondContact NE2-OG 3.3Å; Q213-A218 HydrophobicContact CB-CB 4.27Å; Q213-A218 HydrophobicContact CG-CB 3.63Å; Q213-I221 VanDerWaalsContact CD-CD1 3.48Å; Q213-I221 HydrophobicContact CG-CD1 4.08Å |
| 214 | L | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.7 | 170.1 | -64.4 | 176.9 | 0 | 0 | 0 | 109.6 | D183 Q185 D216 S217 A218 | D183-L214 CarbonylContact O-C 3.59Å; D183-L214 VanDerWaalsContact O-CA 3.28Å; D183-L214 WeakPolarHBondContact O-CA 3.47Å; Q185-L214 HydrophobicContact CG-CD2 4.46Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 VanDerWaalsContact CB-OD1 3.29Å; L214-D216 WeakPolarHBondContact CB-OD1 3.35Å; L214-D216 PolarHBondContact O-N 2.71Å; L214-S217 CarbonylContact O-C 3.33Å; L214-S217 PolarHBondContact O-N 3.36Å; L214-A218 PolarHBondContact O-N 3.03Å |
| 215 | V | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.1 | -40.4 | -173.3 | 61 | 0 | 0 | 0 | 0 | 114.4 | I182 D183 K184 A218 A219 F238 L242 | I182-V215 VanDerWaalsContact CG2-CA 3.5Å; I182-V215 HydrophobicContact CG2-CB 3.7Å; I182-V215 HydrophobicContact CG2-CG2 4.1Å; D183-V215 PolarHBondContact O-N 3.19Å; K184-V215 HydrophobicContact CB-CG1 4.18Å; K184-V215 HydrophobicContact CD-CG1 3.66Å; K184-V215 HydrophobicContact CG-CG1 4.46Å; V215-A218 WeakPolarHBondContact O-CB 3.4Å; V215-A218 PolarHBondContact O-N 2.77Å; V215-A219 PolarHBondContact O-N 2.99Å; V215-F238 HydrophobicContact CB-CD1 4.46Å; V215-F238 HydrophobicContact CB-CD2 4.09Å; V215-F238 HydrophobicContact CB-CE2 4.3Å; V215-F238 HydrophobicContact CB-CG 4.2Å; V215-F238 HydrophobicContact CG1-CD1 4.39Å; V215-F238 HydrophobicContact CG1-CD2 4.34Å; V215-F238 HydrophobicContact CG1-CE1 4.12Å; V215-F238 HydrophobicContact CG1-CE2 4.07Å; V215-F238 HydrophobicContact CG1-CZ 3.96Å; V215-F238 HydrophobicContact CG2-CB 3.99Å; V215-F238 HydrophobicContact CG2-CD1 3.87Å; V215-F238 HydrophobicContact CG2-CD2 4.15Å; V215-F238 HydrophobicContact CG2-CE1 4.41Å; V215-F238 HydrophobicContact CG2-CG 3.74Å; V215-L242 HydrophobicContact CG2-CD1 4.13Å; V215-L242 HydrophobicContact CG2-CG 4.46Å |
| 216 | D | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.3 | 51.3 | -29.4 | 0 | 0 | 0 | 112.2 | K184 L214 A218 M220 | K184-D216 IonicContact NZ-OD1 2.92Å; K184-D216 PolarHBondContact NZ-OD1 3.29Å; K184-D216 IonicContact NZ-OD2 2.61Å; K184-D216 PolarHBondContact NZ-OD2 3.22Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 VanDerWaalsContact CB-OD1 3.29Å; L214-D216 WeakPolarHBondContact CB-OD1 3.35Å; L214-D216 PolarHBondContact O-N 2.71Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-M220 PolarHBondContact O-N 3.33Å |
| 217 | S | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.2 | -30.1 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | Q213 L214 M220 I221 | Q213-S217 VanDerWaalsContact NE2-CB 3.27Å; Q213-S217 PolarHBondContact NE2-OG 3.3Å; L214-S217 CarbonylContact O-C 3.33Å; L214-S217 PolarHBondContact O-N 3.36Å; S217-M220 PolarHBondContact O-N 3.2Å; S217-I221 WeakPolarHBondContact O-CB 3.21Å; S217-I221 WeakPolarHBondContact O-CD1 3.28Å; S217-I221 WeakPolarHBondContact O-CG1 3.14Å; S217-I221 PolarHBondContact O-N 3.26Å |
| 218 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I182 Q213 L214 V215 D216 M220 I221 M222 | I182-A218 HydrophobicContact CD1-CB 3.56Å; I182-A218 HydrophobicContact CG1-CB 4.04Å; I182-A218 HydrophobicContact CG2-CB 4.12Å; Q213-A218 HydrophobicContact CB-CB 4.27Å; Q213-A218 HydrophobicContact CG-CB 3.63Å; L214-A218 PolarHBondContact O-N 3.03Å; V215-A218 WeakPolarHBondContact O-CB 3.4Å; V215-A218 PolarHBondContact O-N 2.77Å; D216-A218 VanDerWaalsContact C-N 3.33Å; A218-M220 PolarHBondContact O-N 3.47Å; A218-I221 CarbonylContact O-C 3.47Å; A218-I221 PolarHBondContact O-N 3.11Å; A218-I221 VanDerWaalsContact O-N 3.14Å; A218-M222 WeakPolarHBondContact O-CB 3.18Å; A218-M222 PolarHBondContact O-N 3.39Å |
| 219 | A | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 45 Ų | 45 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.3 | -51.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | V215 I221 M222 I223 L242 E245 | V215-A219 PolarHBondContact O-N 2.99Å; A219-I221 VanDerWaalsContact C-N 3.31Å; A219-I221 PolarHBondContact O-N 3.27Å; A219-M222 WeakPolarHBondContact O-CB 3.15Å; A219-M222 PolarHBondContact O-N 2.89Å; A219-M222 VanDerWaalsContact O-N 3.11Å; A219-I223 PolarHBondContact O-N 2.73Å; A219-L242 HydrophobicContact CB-CD2 3.93Å; A219-E245 WeakPolarHBondContact CB-OE2 3.46Å; A219-E245 VanDerWaalsContact O-OE1 3.14Å |
| 220 | M | 98.2 | Very high | 97.9 | Very high | 133 Ų | 133 | 41.5 Ų | 41.5 | 66% | 0.655 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58 | -42.3 | 176.5 | -65.7 | -176.3 | 71.3 | 0 | 0 | 113.1 | D216 S217 A218 M222 I223 T224 | D216-M220 PolarHBondContact O-N 3.33Å; S217-M220 PolarHBondContact O-N 3.2Å; A218-M220 PolarHBondContact O-N 3.47Å; M220-M222 VanDerWaalsContact C-N 3.35Å; M220-I223 PolarHBondContact O-N 3.34Å; M220-T224 WeakPolarHBondContact O-CB 3.38Å; M220-T224 VanDerWaalsContact O-CG2 3.31Å; M220-T224 WeakPolarHBondContact O-CG2 3.26Å; M220-T224 PolarHBondContact O-N 2.84Å; M220-T224 PolarHBondContact O-OG1 2.89Å |
| 221 | I | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.108 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -38.3 | 178.9 | -72.8 | 163.2 | 0 | 0 | 0 | 111 | Q213 S217 A218 A219 I223 T224 N225 R228 F229 | Q213-I221 VanDerWaalsContact CD-CD1 3.48Å; Q213-I221 HydrophobicContact CG-CD1 4.08Å; S217-I221 WeakPolarHBondContact O-CB 3.21Å; S217-I221 WeakPolarHBondContact O-CD1 3.28Å; S217-I221 WeakPolarHBondContact O-CG1 3.14Å; S217-I221 PolarHBondContact O-N 3.26Å; A218-I221 CarbonylContact O-C 3.47Å; A218-I221 PolarHBondContact O-N 3.11Å; A218-I221 VanDerWaalsContact O-N 3.14Å; A219-I221 VanDerWaalsContact C-N 3.31Å; A219-I221 PolarHBondContact O-N 3.27Å; I221-I223 PolarHBondContact O-N 2.92Å; I221-T224 WeakPolarHBondContact CA-OG1 3.35Å; I221-T224 PolarHBondContact O-N 2.96Å; I221-N225 CarbonylContact O-C 3.55Å; I221-N225 VanDerWaalsContact O-C 3.24Å; I221-N225 WeakPolarHBondContact O-CA 3.36Å; I221-N225 PolarHBondContact O-N 3.29Å; I221-R228 HydrophobicContact CG2-CG 4.04Å; I221-F229 HydrophobicContact CB-CE2 4.48Å; I221-F229 HydrophobicContact CB-CZ 4.14Å; I221-F229 HydrophobicContact CG2-CE1 4.36Å; I221-F229 HydrophobicContact CG2-CE2 3.73Å; I221-F229 HydrophobicContact CG2-CZ 3.49Å; I221-F229 VanDerWaalsContact CG2-CZ 3.49Å |
| 222 | M | 97.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -30.8 | 179.9 | -164.5 | 166.5 | -75.5 | 0 | 0 | 112.3 | F128 A218 A219 M220 P226 F229 L242 L249 | F128-M222 HydrophobicContact CE2-CE 4.26Å; F128-M222 HydrophobicContact CZ-CE 4.41Å; F128-M222 HydrophobicContact CZ-CG 4.28Å; F128-M222 HydrophobicContact CZ-SD 4.48Å; A218-M222 WeakPolarHBondContact O-CB 3.18Å; A218-M222 PolarHBondContact O-N 3.39Å; A219-M222 WeakPolarHBondContact O-CB 3.15Å; A219-M222 PolarHBondContact O-N 2.89Å; A219-M222 VanDerWaalsContact O-N 3.11Å; M220-M222 VanDerWaalsContact C-N 3.35Å; M222-P226 WeakPolarHBondContact O-CB 3.25Å; M222-P226 WeakPolarHBondContact O-CD 3.33Å; M222-P226 WeakPolarHBondContact O-CG 3.39Å; M222-F229 HydrophobicContact CB-CE2 4.07Å; M222-F229 HydrophobicContact CE-CE2 4.17Å; M222-F229 HydrophobicContact CG-CE2 4.41Å; M222-L242 HydrophobicContact CE-CB 4.18Å; M222-L242 HydrophobicContact CE-CD2 4.37Å; M222-L242 HydrophobicContact SD-CB 4.35Å; M222-L242 HydrophobicContact SD-CD2 4.37Å; M222-L242 VanDerWaalsContact SD-O 3.34Å; M222-L249 HydrophobicContact CG-CD1 4.46Å |
| 223 | I | 95.9 | Very high | 97.9 | Very high | 60 Ų | 60 | 35.7 Ų | 35.7 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -86.5 | -38.8 | 173.6 | -57.1 | -53.8 | 0 | 0 | 0 | 112.2 | L118 A219 M220 I221 E245 L249 | L118-I223 HydrophobicContact CD1-CG2 4.17Å; L118-I223 WeakPolarHBondContact CD1-O 3.23Å; L118-I223 HydrophobicContact CD2-CG2 3.94Å; A219-I223 PolarHBondContact O-N 2.73Å; M220-I223 PolarHBondContact O-N 3.34Å; I221-I223 PolarHBondContact O-N 2.92Å; I223-E245 HydrophobicContact CD1-CG 3.91Å; I223-E245 HydrophobicContact CG1-CG 4.48Å; I223-E245 VanDerWaalsContact CG1-OE1 3.25Å; I223-E245 WeakPolarHBondContact CG1-OE1 3.1Å; I223-L249 HydrophobicContact CD1-CD2 4.41Å |
| 224 | T | 96.2 | Very high | 97.9 | Very high | 68 Ų | 68 | 34.2 Ų | 34.2 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -87.9 | -27.6 | -170.3 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | R122 M220 I221 | R122-T224 VanDerWaalsContact CD-O 3.27Å; R122-T224 WeakPolarHBondContact CD-O 3.39Å; R122-T224 PolarHBondContact NH1-O 3.47Å; M220-T224 WeakPolarHBondContact O-CB 3.38Å; M220-T224 VanDerWaalsContact O-CG2 3.31Å; M220-T224 WeakPolarHBondContact O-CG2 3.26Å; M220-T224 PolarHBondContact O-N 2.84Å; M220-T224 PolarHBondContact O-OG1 2.89Å; I221-T224 WeakPolarHBondContact CA-OG1 3.35Å; I221-T224 PolarHBondContact O-N 2.96Å |
| 225 | N | 96.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | trans | -154.7 | 58.3 | -179.3 | -170.7 | 21.4 | 0 | 0 | 0 | 112 | I221 S227 R228 | I221-N225 CarbonylContact O-C 3.55Å; I221-N225 VanDerWaalsContact O-C 3.24Å; I221-N225 WeakPolarHBondContact O-CA 3.36Å; I221-N225 PolarHBondContact O-N 3.29Å; N225-S227 VanDerWaalsContact C-N 3.29Å; N225-S227 PolarHBondContact O-N 2.86Å; N225-R228 VanDerWaalsContact O-CG 3.28Å; N225-R228 WeakPolarHBondContact O-CG 3.42Å; N225-R228 PolarHBondContact O-N 3.06Å | ||
| 226 | P | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -60 | -32.6 | -176.3 | 15.9 | -27 | 0 | 0 | 0 | 114.6 | R122 V126 F128 M222 R228 F229 L249 | R122-P226 WeakPolarHBondContact O-CD 3.33Å; R122-P226 WeakPolarHBondContact O-CG 3.34Å; V126-P226 HydrophobicContact CG1-CB 4.23Å; V126-P226 HydrophobicContact CG2-CB 3.73Å; V126-P226 HydrophobicContact CG2-CG 3.52Å; F128-P226 HydrophobicContact CE1-CB 4.11Å; M222-P226 WeakPolarHBondContact O-CB 3.25Å; M222-P226 WeakPolarHBondContact O-CD 3.33Å; M222-P226 WeakPolarHBondContact O-CG 3.39Å; P226-R228 PolarHBondContact O-N 3.43Å; P226-F229 PolarHBondContact O-N 3.34Å; P226-L249 HydrophobicContact CB-CD1 3.62Å; P226-L249 HydrophobicContact CG-CD1 4.13Å; P226-L249 HydrophobicContact CG-CD2 4.18Å |
| 227 | S | 96.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -65.1 | -7.4 | -177.2 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | E124 N225 F229 | E124-S227 WeakPolarHBondContact O-CB 3.13Å; N225-S227 VanDerWaalsContact C-N 3.29Å; N225-S227 PolarHBondContact O-N 2.86Å; S227-F229 VanDerWaalsContact C-N 3.35Å |
| 228 | R | 96.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 28.7 Ų | 28.7 | 28% | 0.283 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -76.1 | -20 | 170.8 | 81.6 | 174.8 | -91 | -161.7 | -3.3 | 113.5 | K178 E211 I221 N225 P226 | K178-R228 WeakPolarHBondContact CE-O 3.36Å; K178-R228 PolarHBondContact NZ-O 3.31Å; E211-R228 IonicContact OE1-CZ 3.24Å; E211-R228 IonicContact OE1-NE 3.64Å; E211-R228 IonicContact OE1-NH2 2.69Å; E211-R228 PolarHBondContact OE1-NH2 2.83Å; E211-R228 IonicContact OE2-NH2 3.64Å; E211-R228 PolarHBondContact OE2-NH2 2.58Å; I221-R228 HydrophobicContact CG2-CG 4.04Å; N225-R228 VanDerWaalsContact O-CG 3.28Å; N225-R228 WeakPolarHBondContact O-CG 3.42Å; N225-R228 PolarHBondContact O-N 3.06Å; P226-R228 PolarHBondContact O-N 3.43Å |
| 229 | F | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | trans | -78.3 | 153.5 | 179.9 | -65.3 | -60.3 | 0 | 0 | 0 | 110.7 | F128 T180 I221 M222 P226 S227 V232 | F128-F229 HydrophobicContact CB-CB 3.73Å; F128-F229 HydrophobicContact CD1-CB 4.14Å; F128-F229 HydrophobicContact CD2-CB 4.05Å; F128-F229 HydrophobicContact CG-CB 3.73Å; T180-F229 HydrophobicContact CG2-CD1 4.26Å; T180-F229 HydrophobicContact CG2-CE1 3.91Å; I221-F229 HydrophobicContact CB-CE2 4.48Å; I221-F229 HydrophobicContact CB-CZ 4.14Å; I221-F229 HydrophobicContact CG2-CE1 4.36Å; I221-F229 HydrophobicContact CG2-CE2 3.73Å; I221-F229 HydrophobicContact CG2-CZ 3.49Å; I221-F229 VanDerWaalsContact CG2-CZ 3.49Å; M222-F229 HydrophobicContact CB-CE2 4.07Å; M222-F229 HydrophobicContact CE-CE2 4.17Å; M222-F229 HydrophobicContact CG-CE2 4.41Å; P226-F229 PolarHBondContact O-N 3.34Å; S227-F229 VanDerWaalsContact C-N 3.35Å; F229-V232 HydrophobicContact CB-CG2 3.93Å; F229-V232 HydrophobicContact CD1-CG2 3.63Å; F229-V232 HydrophobicContact CD2-CG2 4.46Å; F229-V232 HydrophobicContact CE1-CG2 4.24Å; F229-V232 HydrophobicContact CG-CG2 3.76Å | ||
| 230 | D | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -126 | -69.2 | 170.3 | 171.2 | 31.9 | 0 | 0 | 0 | 108.8 | F128 V129 R175 G176 K177 K178 | F128-D230 CarbonylContact C-O 3.56Å; F128-D230 WeakPolarHBondContact CA-O 3.37Å; F128-D230 VanDerWaalsContact CB-O 3.28Å; F128-D230 WeakPolarHBondContact CB-O 3.3Å; V129-D230 PolarHBondContact N-O 3.1Å; R175-D230 WeakPolarHBondContact CB-OD1 3.39Å; R175-D230 IonicContact NE-OD1 2.88Å; R175-D230 PolarHBondContact NE-OD1 3.5Å; G176-D230 WeakPolarHBondContact CA-OD2 3.44Å; G176-D230 PolarHBondContact N-OD1 3.34Å; G176-D230 PolarHBondContact N-OD2 3.43Å; K177-D230 PolarHBondContact N-OD2 2.95Å; K178-D230 HydrophobicContact CB-CB 4.09Å; K178-D230 PolarHBondContact N-OD2 2.88Å; K178-D230 WeakPolarHBondContact O-CB 3.43Å |
| 231 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.5 | 167.3 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | V129 V131 A168 L171 A172 K178 V179 T180 | V129-V231 WeakPolarHBondContact O-CA 3.29Å; V131-V231 HydrophobicContact CG2-CG1 3.64Å; A168-V231 HydrophobicContact CB-CG1 3.88Å; L171-V231 HydrophobicContact CD2-CG1 4.36Å; L171-V231 HydrophobicContact CD2-CG2 4.21Å; L171-V231 HydrophobicContact CG-CG2 4.19Å; A172-V231 HydrophobicContact CB-CB 4.23Å; A172-V231 HydrophobicContact CB-CG2 3.83Å; K178-V231 PolarHBondContact O-N 3.11Å; K178-V231 VanDerWaalsContact O-N 3.08Å; V179-V231 CarbonylContact C-O 3.23Å; V179-V231 VanDerWaalsContact CA-O 3.31Å; V179-V231 WeakPolarHBondContact CA-O 3.19Å; V179-V231 HydrophobicContact CG2-CB 4.37Å; T180-V231 PolarHBondContact N-O 2.95Å |
| 232 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.9 | 171.4 | 170.7 | 0 | 0 | 0 | 0 | 108.1 | F128 V129 V131 T180 I182 F229 | F128-V232 HydrophobicContact CD2-CG2 4.35Å; V129-V232 PolarHBondContact O-N 2.96Å; V131-V232 WeakPolarHBondContact CA-O 3.32Å; V131-V232 WeakPolarHBondContact CB-O 3.28Å; V131-V232 PolarHBondContact N-O 3.43Å; T180-V232 WeakPolarHBondContact O-CA 3.41Å; I182-V232 HydrophobicContact CD1-CG1 3.31Å; I182-V232 HydrophobicContact CG1-CG1 4.01Å; F229-V232 HydrophobicContact CB-CG2 3.93Å; F229-V232 HydrophobicContact CD1-CG2 3.63Å; F229-V232 HydrophobicContact CD2-CG2 4.46Å; F229-V232 HydrophobicContact CE1-CG2 4.24Å; F229-V232 HydrophobicContact CG-CG2 3.76Å |
| 233 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.3 | 174.4 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | V131 I164 I165 A168 V179 T180 I182 W194 | V131-V233 HydrophobicContact CB-CB 4.3Å; V131-V233 HydrophobicContact CB-CG2 4.19Å; V131-V233 HydrophobicContact CG1-CG2 4.1Å; V131-V233 VanDerWaalsContact O-CA 3.29Å; V131-V233 WeakPolarHBondContact O-CA 3.44Å; I164-V233 HydrophobicContact CG1-CG2 4.17Å; I165-V233 HydrophobicContact CD1-CB 4.39Å; I165-V233 HydrophobicContact CD1-CG1 3.6Å; I165-V233 HydrophobicContact CD1-CG2 3.86Å; A168-V233 HydrophobicContact CB-CB 3.63Å; A168-V233 HydrophobicContact CB-CG1 4.11Å; A168-V233 HydrophobicContact CB-CG2 3.75Å; V179-V233 HydrophobicContact CG1-CB 4.48Å; V179-V233 HydrophobicContact CG1-CG1 3.55Å; T180-V233 PolarHBondContact O-N 3.42Å; I182-V233 PolarHBondContact N-O 3.25Å; W194-V233 HydrophobicContact CZ3-CG2 4.43Å |
| 234 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 171.9 | -177.8 | -162.8 | 0 | 0 | 0 | 0 | 114 | V131 E133 I182 W194 F238 | V131-T234 PolarHBondContact O-N 2.8Å; V131-T234 VanDerWaalsContact O-N 3.1Å; E133-T234 PolarHBondContact N-O 2.71Å; E133-T234 VanDerWaalsContact N-O 3.12Å; I182-T234 PolarHBondContact O-OG1 3.27Å; W194-T234 VanDerWaalsContact CH2-C 3.45Å; W194-T234 WeakPolarHBondContact CH2-O 3.4Å; T234-F238 HydrophobicContact CG2-CB 4.11Å; T234-F238 WeakPolarHBondContact OG1-CB 3.34Å |
| 235 | E | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | trans | -70.3 | 165.2 | 178.5 | 81 | 174.6 | 110.7 | 0 | 0 | 112.2 | N154 Y156 W194 L237 F238 G239 | N154-E235 PolarHBondContact ND2-OE2 2.73Å; Y156-E235 HydrophobicContact CE2-CB 3.97Å; Y156-E235 WeakPolarHBondContact CE2-OE2 3.27Å; Y156-E235 WeakPolarHBondContact OH-CB 3.44Å; W194-E235 HydrophobicContact CD2-CB 4.41Å; W194-E235 HydrophobicContact CH2-CB 4.28Å; W194-E235 VanDerWaalsContact CZ2-CA 3.46Å; W194-E235 HydrophobicContact CZ2-CB 3.61Å; E235-L237 PolarHBondContact O-N 2.93Å; E235-F238 HydrophobicContact CG-CB 4.22Å; E235-F238 HydrophobicContact CG-CD2 3.64Å; E235-F238 HydrophobicContact CG-CE2 4.14Å; E235-F238 HydrophobicContact CG-CG 3.97Å; E235-F238 PolarHBondContact O-N 2.75Å; E235-F238 WeakPolarHBondContact OE1-CD2 3.47Å; E235-F238 WeakPolarHBondContact OE1-CE2 3.45Å; E235-G239 PolarHBondContact O-N 3.48Å | ||
| 236 | N | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.2 | -54.5 | -169.8 | -163.3 | -19.3 | 0 | 0 | 0 | 114.4 | R132 E133 L134 G136 Y139 Y156 G239 D240 | R132-N236 PolarHBondContact NE-O 2.97Å; R132-N236 PolarHBondContact NE-OD1 3.32Å; R132-N236 VanDerWaalsContact NE-OD1 3.09Å; R132-N236 PolarHBondContact NH2-OD1 3.11Å; E133-N236 WeakPolarHBondContact O-CA 3.25Å; E133-N236 WeakPolarHBondContact O-CB 3.47Å; E133-N236 VanDerWaalsContact O-CG 3.26Å; L134-N236 PolarHBondContact O-ND2 3.01Å; G136-N236 WeakPolarHBondContact O-CB 3.43Å; G136-N236 PolarHBondContact O-ND2 2.66Å; Y139-N236 WeakPolarHBondContact CD2-OD1 3.46Å; Y156-N236 WeakPolarHBondContact OH-CB 3.17Å; Y156-N236 PolarHBondContact OH-N 3.22Å; N236-G239 PolarHBondContact O-N 3.43Å; N236-D240 PolarHBondContact O-N 2.94Å |
| 237 | L | 97.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 24 Ų | 24 | 26% | 0.257 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.2 | -44.7 | -177.3 | 177.9 | 62.5 | 0 | 0 | 0 | 112.6 | I138 Y139 E235 G239 D240 I241 | I138-L237 HydrophobicContact CG2-CB 3.86Å; I138-L237 HydrophobicContact CG2-CD2 4.14Å; I138-L237 HydrophobicContact CG2-CG 4.42Å; Y139-L237 HydrophobicContact CE1-CD1 3.91Å; Y139-L237 WeakPolarHBondContact OH-CD1 3.41Å; E235-L237 PolarHBondContact O-N 2.93Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-D240 WeakPolarHBondContact O-CB 3.49Å; L237-D240 PolarHBondContact O-N 2.87Å; L237-I241 HydrophobicContact CD1-CD1 4.02Å; L237-I241 HydrophobicContact CG-CD1 4.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.36Å |
| 238 | F | 98.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 25 Ų | 25 | 11% | 0.11 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 179.5 | -63.2 | -19.6 | 0 | 0 | 0 | 111.4 | K184 L188 V215 T234 E235 D240 I241 L242 | K184-F238 HydrophobicContact CB-CE2 3.94Å; K184-F238 HydrophobicContact CB-CZ 3.86Å; L188-F238 HydrophobicContact CD1-CE2 4.48Å; L188-F238 HydrophobicContact CD1-CZ 3.87Å; V215-F238 HydrophobicContact CB-CD1 4.46Å; V215-F238 HydrophobicContact CB-CD2 4.09Å; V215-F238 HydrophobicContact CB-CE2 4.3Å; V215-F238 HydrophobicContact CB-CG 4.2Å; V215-F238 HydrophobicContact CG1-CD1 4.39Å; V215-F238 HydrophobicContact CG1-CD2 4.34Å; V215-F238 HydrophobicContact CG1-CE1 4.12Å; V215-F238 HydrophobicContact CG1-CE2 4.07Å; V215-F238 HydrophobicContact CG1-CZ 3.96Å; V215-F238 HydrophobicContact CG2-CB 3.99Å; V215-F238 HydrophobicContact CG2-CD1 3.87Å; V215-F238 HydrophobicContact CG2-CD2 4.15Å; V215-F238 HydrophobicContact CG2-CE1 4.41Å; V215-F238 HydrophobicContact CG2-CG 3.74Å; T234-F238 HydrophobicContact CG2-CB 4.11Å; T234-F238 WeakPolarHBondContact OG1-CB 3.34Å; E235-F238 HydrophobicContact CG-CB 4.22Å; E235-F238 HydrophobicContact CG-CD2 3.64Å; E235-F238 HydrophobicContact CG-CE2 4.14Å; E235-F238 HydrophobicContact CG-CG 3.97Å; E235-F238 PolarHBondContact O-N 2.75Å; E235-F238 WeakPolarHBondContact OE1-CD2 3.47Å; E235-F238 WeakPolarHBondContact OE1-CE2 3.45Å; F238-D240 VanDerWaalsContact C-N 3.31Å; F238-D240 PolarHBondContact O-N 3.26Å; F238-I241 PolarHBondContact O-N 2.99Å; F238-L242 VanDerWaalsContact O-CB 3.29Å; F238-L242 WeakPolarHBondContact O-CB 3.41Å; F238-L242 VanDerWaalsContact O-CG 3.31Å; F238-L242 WeakPolarHBondContact O-CG 3.3Å; F238-L242 PolarHBondContact O-N 3.17Å |
| 239 | G | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E235 N236 L237 S243 | E235-G239 PolarHBondContact O-N 3.48Å; N236-G239 PolarHBondContact O-N 3.43Å; L237-G239 VanDerWaalsContact C-N 3.33Å; G239-S243 WeakPolarHBondContact O-CB 3.22Å; G239-S243 PolarHBondContact O-N 2.7Å; G239-S243 PolarHBondContact O-OG 2.59Å |
| 240 | D | 95.9 | Very high | 96.5 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 20% | 0.198 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.9 | -61.1 | 173.1 | -152.7 | 18.1 | 0 | 0 | 0 | 110.8 | R132 Y139 N236 L237 F238 L242 S243 D244 | R132-D240 VanDerWaalsContact CZ-CB 3.42Å; R132-D240 IonicContact CZ-OD1 2.69Å; R132-D240 VanDerWaalsContact CZ-OD1 3.32Å; R132-D240 VanDerWaalsContact NH1-CG 3.34Å; R132-D240 IonicContact NH1-OD1 3.22Å; R132-D240 PolarHBondContact NH1-OD1 2.99Å; R132-D240 VanDerWaalsContact NH2-CB 3.29Å; R132-D240 IonicContact NH2-OD1 3.4Å; R132-D240 PolarHBondContact NH2-OD1 3.46Å; R132-D240 IonicContact NH2-OD2 3.79Å; R132-D240 PolarHBondContact NH2-OD2 3.03Å; Y139-D240 HydrophobicContact CE2-CB 4.46Å; Y139-D240 WeakPolarHBondContact CE2-OD2 3.48Å; Y139-D240 VanDerWaalsContact CZ-OD2 3.29Å; Y139-D240 PolarHBondContact OH-OD2 2.99Å; N236-D240 PolarHBondContact O-N 2.94Å; L237-D240 WeakPolarHBondContact O-CB 3.49Å; L237-D240 PolarHBondContact O-N 2.87Å; F238-D240 VanDerWaalsContact C-N 3.31Å; F238-D240 PolarHBondContact O-N 3.26Å; D240-L242 PolarHBondContact O-N 3.4Å; D240-S243 PolarHBondContact O-N 3.34Å; D240-S243 PolarHBondContact O-OG 2.87Å; D240-D244 PolarHBondContact O-N 2.9Å; D240-D244 VanDerWaalsContact O-N 3.07Å |
| 241 | I | 97.8 | Very high | 96 | Very high | 96 Ų | 96 | 22 Ų | 22 | 49% | 0.492 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.2 | -49.3 | -174.3 | -63.3 | 166.1 | 0 | 0 | 0 | 111 | L237 F238 D244 E245 | L237-I241 HydrophobicContact CD1-CD1 4.02Å; L237-I241 HydrophobicContact CG-CD1 4.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.36Å; F238-I241 PolarHBondContact O-N 2.99Å; I241-D244 PolarHBondContact O-N 3.02Å; I241-E245 WeakPolarHBondContact O-CB 3.46Å; I241-E245 PolarHBondContact O-N 3.36Å |
| 242 | L | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71 | -33.2 | -176.5 | -69.8 | 177.4 | 0 | 0 | 0 | 112.5 | I182 V215 A219 M222 F238 D240 E245 S246 | I182-L242 HydrophobicContact CD1-CD1 3.48Å; I182-L242 VanDerWaalsContact CD1-CD1 3.48Å; I182-L242 HydrophobicContact CG2-CD1 3.94Å; V215-L242 HydrophobicContact CG2-CD1 4.13Å; V215-L242 HydrophobicContact CG2-CG 4.46Å; A219-L242 HydrophobicContact CB-CD2 3.93Å; M222-L242 HydrophobicContact CE-CB 4.18Å; M222-L242 HydrophobicContact CE-CD2 4.37Å; M222-L242 HydrophobicContact SD-CB 4.35Å; M222-L242 HydrophobicContact SD-CD2 4.37Å; M222-L242 VanDerWaalsContact SD-O 3.34Å; F238-L242 VanDerWaalsContact O-CB 3.29Å; F238-L242 WeakPolarHBondContact O-CB 3.41Å; F238-L242 VanDerWaalsContact O-CG 3.31Å; F238-L242 WeakPolarHBondContact O-CG 3.3Å; F238-L242 PolarHBondContact O-N 3.17Å; D240-L242 PolarHBondContact O-N 3.4Å; L242-E245 PolarHBondContact O-N 3.13Å; L242-S246 WeakPolarHBondContact O-CB 3.45Å; L242-S246 PolarHBondContact O-N 3.1Å; L242-S246 PolarHBondContact O-OG 2.92Å |
| 243 | S | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 175.4 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | R104 G239 D240 S246 S247 | R104-S243 PolarHBondContact NH1-OG 3.11Å; G239-S243 WeakPolarHBondContact O-CB 3.22Å; G239-S243 PolarHBondContact O-N 2.7Å; G239-S243 PolarHBondContact O-OG 2.59Å; D240-S243 PolarHBondContact O-N 3.34Å; D240-S243 PolarHBondContact O-OG 2.87Å; S243-S246 WeakPolarHBondContact CA-OG 3.44Å; S243-S246 PolarHBondContact O-N 3.31Å; S243-S246 PolarHBondContact O-OG 3.42Å; S243-S247 WeakPolarHBondContact O-CB 3.45Å; S243-S247 PolarHBondContact O-N 3.22Å |
| 244 | D | 93 | Very high | 94.5 | Very high | 80 Ų | 80 | 26.6 Ų | 26.6 | 43% | 0.428 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.3 | -39 | 174.3 | -74.8 | 6.1 | 0 | 0 | 0 | 111.4 | R104 D240 I241 S247 | R104-D244 IonicContact NH1-OD1 3.59Å; R104-D244 PolarHBondContact NH1-OD1 3.11Å; D240-D244 PolarHBondContact O-N 2.9Å; D240-D244 VanDerWaalsContact O-N 3.07Å; I241-D244 PolarHBondContact O-N 3.02Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 3.08Å; D244-S247 PolarHBondContact O-OG 2.87Å |
| 245 | E | 95.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 26.8 Ų | 26.8 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 172.6 | -176.5 | 174.1 | -179.2 | 0 | 0 | 111.7 | A219 I223 I241 L242 S247 V248 | A219-E245 WeakPolarHBondContact CB-OE2 3.46Å; A219-E245 VanDerWaalsContact O-OE1 3.14Å; I223-E245 HydrophobicContact CD1-CG 3.91Å; I223-E245 HydrophobicContact CG1-CG 4.48Å; I223-E245 VanDerWaalsContact CG1-OE1 3.25Å; I223-E245 WeakPolarHBondContact CG1-OE1 3.1Å; I241-E245 WeakPolarHBondContact O-CB 3.46Å; I241-E245 PolarHBondContact O-N 3.36Å; L242-E245 PolarHBondContact O-N 3.13Å; E245-S247 PolarHBondContact O-N 2.88Å; E245-V248 WeakPolarHBondContact O-CB 3.43Å; E245-V248 PolarHBondContact O-N 3.48Å |
| 246 | S | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -28.2 | 177.7 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | V106 L242 S243 V248 L249 | V106-S246 WeakPolarHBondContact CG2-OG 3.46Å; L242-S246 WeakPolarHBondContact O-CB 3.45Å; L242-S246 PolarHBondContact O-N 3.1Å; L242-S246 PolarHBondContact O-OG 2.92Å; S243-S246 WeakPolarHBondContact CA-OG 3.44Å; S243-S246 PolarHBondContact O-N 3.31Å; S243-S246 PolarHBondContact O-OG 3.42Å; S246-V248 PolarHBondContact O-N 2.95Å; S246-L249 VanDerWaalsContact O-CB 3.3Å; S246-L249 WeakPolarHBondContact O-CB 3.35Å; S246-L249 VanDerWaalsContact O-CG 3.29Å; S246-L249 WeakPolarHBondContact O-CG 3.31Å; S246-L249 PolarHBondContact O-N 3.29Å |
| 247 | S | 91.4 | Very high | 94 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67 | -16.2 | -180 | 84.6 | 0 | 0 | 0 | 0 | 112.9 | S243 D244 E245 P250 L253 M256 | S243-S247 WeakPolarHBondContact O-CB 3.45Å; S243-S247 PolarHBondContact O-N 3.22Å; D244-S247 WeakPolarHBondContact O-CB 3.46Å; D244-S247 PolarHBondContact O-N 3.08Å; D244-S247 PolarHBondContact O-OG 2.87Å; E245-S247 PolarHBondContact O-N 2.88Å; S247-P250 WeakPolarHBondContact O-CD 3.44Å; S247-L253 WeakPolarHBondContact OG-CD2 3.41Å; S247-M256 WeakPolarHBondContact O-CE 3.43Å |
| 248 | V | 92.6 | Very high | 94 | Very high | 72 Ų | 72 | 25.4 Ų | 25.4 | 44% | 0.436 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -21.9 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | P117 E245 S246 G251 | P117-V248 WeakPolarHBondContact CD-O 3.4Å; P117-V248 HydrophobicContact CG-CG1 3.57Å; E245-V248 WeakPolarHBondContact O-CB 3.43Å; E245-V248 PolarHBondContact O-N 3.48Å; S246-V248 PolarHBondContact O-N 2.95Å; V248-G251 WeakPolarHBondContact O-CA 3.19Å; V248-G251 PolarHBondContact O-N 3.03Å |
| 249 | L | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -43.9 | -174.7 | -59.8 | 173.7 | 0 | 0 | 0 | 113.2 | V106 I108 S116 L118 V126 F128 M222 I223 P226 S246 G251 | V106-L249 HydrophobicContact CG1-CB 4.49Å; V106-L249 HydrophobicContact CG1-CD1 4.13Å; I108-L249 HydrophobicContact CD1-CB 4.29Å; S116-L249 WeakPolarHBondContact CB-O 3.46Å; S116-L249 PolarHBondContact OG-O 2.94Å; L118-L249 HydrophobicContact CD1-CD2 3.47Å; L118-L249 VanDerWaalsContact CD1-CD2 3.47Å; V126-L249 HydrophobicContact CG1-CD1 4.25Å; F128-L249 HydrophobicContact CE1-CD1 3.83Å; F128-L249 HydrophobicContact CZ-CD1 4.01Å; M222-L249 HydrophobicContact CG-CD1 4.46Å; I223-L249 HydrophobicContact CD1-CD2 4.41Å; P226-L249 HydrophobicContact CB-CD1 3.62Å; P226-L249 HydrophobicContact CG-CD1 4.13Å; P226-L249 HydrophobicContact CG-CD2 4.18Å; S246-L249 VanDerWaalsContact O-CB 3.3Å; S246-L249 WeakPolarHBondContact O-CB 3.35Å; S246-L249 VanDerWaalsContact O-CG 3.29Å; S246-L249 WeakPolarHBondContact O-CG 3.31Å; S246-L249 PolarHBondContact O-N 3.29Å; L249-G251 PolarHBondContact O-N 3.47Å |
| 250 | P | 91.1 | Very high | 94 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12 | 173.4 | -16.9 | 32.6 | 0 | 0 | 0 | 114.2 | I108 S247 T252 M256 | I108-P250 HydrophobicContact CG1-CB 4.15Å; I108-P250 HydrophobicContact CG1-CG 4.04Å; S247-P250 WeakPolarHBondContact O-CD 3.44Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.11Å; P250-M256 HydrophobicContact CG-CE 4.19Å; P250-M256 HydrophobicContact CG-SD 4.08Å |
| 251 | G | 89.1 | Confident | 94.1 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 31% | 0.309 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 81.2 | -2.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L115 V248 L249 | L115-G251 WeakPolarHBondContact O-CA 3.2Å; V248-G251 WeakPolarHBondContact O-CA 3.19Å; V248-G251 PolarHBondContact O-N 3.03Å; L249-G251 PolarHBondContact O-N 3.47Å |
| 252 | T | 89.3 | Confident | 93.9 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 9% | 0.092 | 12% | 0.115 | C | C | . | . | trans | -151.2 | 133.9 | 178.8 | 174 | 0 | 0 | 0 | 0 | 112.2 | L112 L115 P250 G254 V255 M256 L328 | L112-T252 HydrophobicContact CD1-CG2 4.32Å; L115-T252 HydrophobicContact CD1-CG2 4.18Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.11Å; T252-G254 VanDerWaalsContact C-N 3.28Å; T252-G254 PolarHBondContact OG1-N 2.89Å; T252-V255 HydrophobicContact CG2-CG1 4.27Å; T252-V255 HydrophobicContact CG2-CG2 3.76Å; T252-M256 WeakPolarHBondContact O-CE 3.16Å; T252-L328 HydrophobicContact CG2-CD2 3.48Å; T252-L328 VanDerWaalsContact CG2-CD2 3.48Å; T252-L328 WeakPolarHBondContact OG1-CD2 3.5Å | ||
| 253 | L | 86.8 | Confident | 93.4 | Very high | 75 Ų | 75 | 23.9 Ų | 23.9 | 39% | 0.393 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -74 | -20.3 | 171 | -55.4 | -178.4 | 0 | 0 | 0 | 112.6 | S247 V255 M256 I272 H273 | S247-L253 WeakPolarHBondContact OG-CD2 3.41Å; L253-V255 PolarHBondContact O-N 3.22Å; L253-M256 HydrophobicContact CD2-CE 3.89Å; L253-M256 PolarHBondContact O-N 3.38Å; L253-I272 HydrophobicContact CB-CD1 4.49Å; L253-I272 HydrophobicContact CB-CG1 4.38Å; L253-I272 HydrophobicContact CD2-CD1 3.75Å; L253-I272 HydrophobicContact CD2-CG1 4.4Å; L253-H273 HydrophobicContact CB-CB 3.85Å; L253-H273 HydrophobicContact CD1-CB 4.45Å |
| 254 | G | 88.8 | Confident | 93 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -65.7 | -6.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | T252 S289 | T252-G254 VanDerWaalsContact C-N 3.28Å; T252-G254 PolarHBondContact OG1-N 2.89Å; G254-S289 VanDerWaalsContact O-CB 3.28Å; G254-S289 WeakPolarHBondContact O-CB 3.47Å; G254-S289 PolarHBondContact O-N 2.94Å |
| 255 | V | 93.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -126.7 | 9.9 | -174.9 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | F109 L112 T252 L253 P257 V288 L292 F319 L328 | F109-V255 HydrophobicContact CD2-CB 4.45Å; F109-V255 HydrophobicContact CD2-CG2 4.23Å; F109-V255 HydrophobicContact CE2-CB 4.12Å; F109-V255 HydrophobicContact CE2-CG2 4.23Å; L112-V255 HydrophobicContact CD1-CG1 3.9Å; L112-V255 HydrophobicContact CD1-CG2 4.37Å; T252-V255 HydrophobicContact CG2-CG1 4.27Å; T252-V255 HydrophobicContact CG2-CG2 3.76Å; L253-V255 PolarHBondContact O-N 3.22Å; V255-P257 WeakPolarHBondContact O-CD 3.37Å; V255-V288 HydrophobicContact CB-CG1 4.17Å; V255-V288 HydrophobicContact CG1-CB 4.21Å; V255-V288 HydrophobicContact CG1-CG1 3.96Å; V255-L292 VanDerWaalsContact O-CD1 3.23Å; V255-L292 WeakPolarHBondContact O-CD1 3.1Å; V255-F319 HydrophobicContact CG1-CE2 4.18Å; V255-F319 HydrophobicContact CG1-CZ 3.72Å; V255-L328 HydrophobicContact CG1-CD1 4.36Å; V255-L328 HydrophobicContact CG1-CD2 4.36Å |
| 256 | M | 93.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | trans | -108.3 | 108.8 | -177 | -82.3 | -179.7 | -81.2 | 0 | 0 | 111.7 | S247 P250 T252 L253 I272 S289 | S247-M256 WeakPolarHBondContact O-CE 3.43Å; P250-M256 HydrophobicContact CG-CE 4.19Å; P250-M256 HydrophobicContact CG-SD 4.08Å; T252-M256 WeakPolarHBondContact O-CE 3.16Å; L253-M256 HydrophobicContact CD2-CE 3.89Å; L253-M256 PolarHBondContact O-N 3.38Å; M256-I272 HydrophobicContact CB-CD1 3.42Å; M256-I272 VanDerWaalsContact CB-CD1 3.42Å; M256-I272 HydrophobicContact CB-CG1 3.72Å; M256-I272 HydrophobicContact CB-CG2 4.45Å; M256-I272 HydrophobicContact CE-CD1 3.55Å; M256-I272 HydrophobicContact CG-CD1 4.14Å; M256-I272 PolarHBondContact O-N 3.15Å; M256-I272 HydrophobicContact SD-CD1 3.62Å; M256-S289 PolarHBondContact O-OG 3.32Å | ||
| 257 | P | 97.1 | Very high | 93 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 165.6 | 170.5 | 38.2 | -39.7 | 0 | 0 | 0 | 110.8 | V255 L292 S293 M296 | V255-P257 WeakPolarHBondContact O-CD 3.37Å; P257-L292 HydrophobicContact CB-CB 3.96Å; P257-L292 HydrophobicContact CG-CB 3.76Å; P257-S293 WeakPolarHBondContact CB-OG 3.39Å; P257-M296 HydrophobicContact CB-CG 4.28Å; P257-M296 HydrophobicContact CB-SD 3.55Å; P257-M296 VanDerWaalsContact CB-SD 3.55Å; P257-M296 HydrophobicContact CG-CG 4.12Å; P257-M296 HydrophobicContact CG-SD 3.46Å; P257-M296 WeakPolarHBondContact CG-SD 3.3Å |
| 258 | S | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.6 | 168.9 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | I103 Y269 E270 | I103-S258 WeakPolarHBondContact O-CA 3.31Å; S258-Y269 WeakPolarHBondContact O-CA 3.27Å; S258-E270 PolarHBondContact N-O 3.45Å; S258-E270 PolarHBondContact O-N 3.03Å; S258-E270 VanDerWaalsContact OG-CG 3.25Å; S258-E270 WeakPolarHBondContact OG-CG 3.32Å; S258-E270 PolarHBondContact OG-O 3.33Å |
| 259 | A | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N102 I103 H261 L268 Y269 M296 | N102-A259 CarbonylContact C-O 3.57Å; N102-A259 VanDerWaalsContact CA-O 3.28Å; N102-A259 WeakPolarHBondContact CA-O 3.49Å; N102-A259 PolarHBondContact ND2-O 3.03Å; I103-A259 HydrophobicContact CB-CB 4.41Å; I103-A259 PolarHBondContact N-O 3.45Å; I103-A259 PolarHBondContact O-N 3.2Å; A259-H261 WeakPolarHBondContact CB-NE2 3.44Å; A259-L268 CarbonylContact C-O 2.97Å; A259-L268 WeakPolarHBondContact CA-O 3.37Å; A259-Y269 HydrophobicContact CB-CD1 3.56Å; A259-Y269 HydrophobicContact CB-CE1 3.6Å; A259-M296 HydrophobicContact CB-CE 3.71Å |
| 260 | S | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.9 | 170.6 | -58 | 0 | 0 | 0 | 0 | 107.9 | L99 A101 N102 L134 S267 L268 | L99-S260 WeakPolarHBondContact CD2-O 2.98Å; A101-S260 CarbonylContact O-C 3.48Å; A101-S260 WeakPolarHBondContact O-CA 3.48Å; N102-S260 PolarHBondContact ND2-OG 3.17Å; L134-S260 WeakPolarHBondContact CD2-OG 3.44Å; S260-S267 WeakPolarHBondContact O-CA 3.44Å; S260-L268 PolarHBondContact N-O 2.9Å; S260-L268 PolarHBondContact O-N 2.99Å |
| 261 | H | 98.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.4 | -175.4 | -54.7 | -73.1 | 0 | 0 | 0 | 111.7 | L99 F100 A101 I103 A259 S267 E300 | L99-H261 CarbonylContact C-O 3.55Å; L99-H261 VanDerWaalsContact C-O 3.23Å; L99-H261 VanDerWaalsContact CA-O 3.31Å; L99-H261 WeakPolarHBondContact CA-O 3.36Å; F100-H261 PolarHBondContact N-O 2.9Å; A101-H261 HydrophobicContact CB-CB 4.43Å; A101-H261 PolarHBondContact N-O 2.81Å; A101-H261 PolarHBondContact O-N 3.15Å; I103-H261 VanDerWaalsContact CG1-CD2 3.45Å; I103-H261 WeakPolarHBondContact CG1-CD2 2.97Å; A259-H261 WeakPolarHBondContact CB-NE2 3.44Å; H261-S267 WeakPolarHBondContact ND1-CB 3.4Å; H261-S267 PolarHBondContact ND1-OG 3.34Å; H261-E300 IonicContact CE1-OE2 3.66Å; H261-E300 PolarHBondContact CE1-OE2 3.43Å; H261-E300 IonicContact NE2-OE2 2.7Å; H261-E300 PolarHBondContact NE2-OE2 2.99Å |
| 262 | S | 94.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | trans | -89.2 | 171.1 | 163.4 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | L97 N98 G265 P266 | L97-S262 WeakPolarHBondContact O-CB 3.35Å; N98-S262 VanDerWaalsContact O-CA 3.29Å; N98-S262 WeakPolarHBondContact O-CA 3.34Å; S262-G265 WeakPolarHBondContact OG-CA 3.3Å; S262-G265 PolarHBondContact OG-N 3.1Å; S262-G265 PolarHBondContact OG-O 3.12Å; S262-P266 PolarHBondContact OG-O 3.37Å | ||
| 263 | E | 87.5 | Confident | 94.3 | Very high | 103 Ų | 103 | 25.5 Ų | 25.5 | 48% | 0.481 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -75.1 | -41.3 | 179.1 | -167.2 | 171.2 | -162.6 | 0 | 0 | 112.5 | F100 | F100-E263 HydrophobicContact CD1-CB 4.49Å; F100-E263 HydrophobicContact CE1-CB 3.99Å |
| 264 | N | 86.9 | Confident | 94.6 | Very high | 157 Ų | 157 | 24.3 Ų | 24.3 | 84% | 0.84 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -142.4 | 25.1 | -175.3 | -64.5 | -66.5 | 0 | 0 | 0 | 113 | ||
| 265 | G | 90.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 24.5 Ų | 24.5 | 45% | 0.454 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -134 | -163.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S262 | S262-G265 WeakPolarHBondContact OG-CA 3.3Å; S262-G265 PolarHBondContact OG-N 3.1Å; S262-G265 PolarHBondContact OG-O 3.12Å |
| 266 | P | 95.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | trans | -62.9 | 155.4 | 175.6 | 28.7 | -37 | 0 | 0 | 0 | 111.3 | A63 I69 L97 L99 S262 | A63-P266 WeakPolarHBondContact O-CG 3.36Å; I69-P266 HydrophobicContact CD1-CB 4.08Å; I69-P266 HydrophobicContact CD1-CG 4.04Å; I69-P266 HydrophobicContact CG1-CB 4.34Å; L97-P266 HydrophobicContact CD1-CG 4.15Å; L97-P266 HydrophobicContact CD2-CG 4.33Å; L99-P266 WeakPolarHBondContact CD2-O 3.4Å; S262-P266 PolarHBondContact OG-O 3.37Å | ||
| 267 | S | 98.4 | Very high | 95 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 150.8 | 163.9 | -60 | 0 | 0 | 0 | 0 | 109.6 | I69 S260 H261 Y269 | I69-S267 PolarHBondContact N-O 3.21Å; S260-S267 WeakPolarHBondContact O-CA 3.44Å; H261-S267 WeakPolarHBondContact ND1-CB 3.4Å; H261-S267 PolarHBondContact ND1-OG 3.34Å; S267-Y269 WeakPolarHBondContact CB-OH 3.45Å |
| 268 | L | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.2 | 177.2 | -178.2 | 153.9 | 0 | 0 | 0 | 109.2 | I69 L71 I93 L99 A259 S260 E270 | I69-L268 HydrophobicContact CB-CB 4.24Å; I69-L268 HydrophobicContact CB-CG 4.29Å; I69-L268 HydrophobicContact CG2-CD1 4.04Å; I69-L268 HydrophobicContact CG2-CG 4.09Å; I69-L268 CarbonylContact O-C 3.42Å; I69-L268 WeakPolarHBondContact O-CA 3.2Å; L71-L268 HydrophobicContact CB-CD1 4.36Å; L71-L268 HydrophobicContact CB-CD2 4.09Å; L71-L268 HydrophobicContact CB-CG 4.28Å; L71-L268 HydrophobicContact CD1-CD1 4.12Å; I93-L268 HydrophobicContact CD1-CD1 4.49Å; L99-L268 HydrophobicContact CD1-CB 3.76Å; L99-L268 HydrophobicContact CD1-CD1 4.05Å; A259-L268 CarbonylContact C-O 2.97Å; A259-L268 WeakPolarHBondContact CA-O 3.37Å; S260-L268 PolarHBondContact N-O 2.9Å; S260-L268 PolarHBondContact O-N 2.99Å; L268-E270 HydrophobicContact CD2-CB 3.91Å; L268-E270 HydrophobicContact CD2-CG 3.89Å |
| 269 | Y | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.8 | 179.6 | -54.9 | -90.3 | 0 | 0 | 0 | 109.3 | A68 I69 L71 S258 A259 S267 M296 M297 E300 S301 | A68-Y269 HydrophobicContact CB-CE2 4.2Å; I69-Y269 PolarHBondContact O-N 3.07Å; L71-Y269 PolarHBondContact N-O 3.06Å; S258-Y269 WeakPolarHBondContact O-CA 3.27Å; A259-Y269 HydrophobicContact CB-CD1 3.56Å; A259-Y269 HydrophobicContact CB-CE1 3.6Å; S267-Y269 WeakPolarHBondContact CB-OH 3.45Å; Y269-M296 HydrophobicContact CD1-CB 3.73Å; Y269-M296 HydrophobicContact CE1-CB 4.05Å; Y269-M297 HydrophobicContact CD1-CB 4.22Å; Y269-M297 HydrophobicContact CD2-CB 3.49Å; Y269-M297 VanDerWaalsContact CD2-CB 3.49Å; Y269-M297 HydrophobicContact CD2-CG 3.68Å; Y269-M297 HydrophobicContact CE1-CB 4.39Å; Y269-M297 HydrophobicContact CE2-CB 3.69Å; Y269-M297 HydrophobicContact CE2-CG 3.66Å; Y269-M297 HydrophobicContact CG-CB 3.78Å; Y269-M297 HydrophobicContact CG-CG 4.46Å; Y269-E300 HydrophobicContact CE1-CB 4.17Å; Y269-E300 WeakPolarHBondContact OH-CB 3.2Å; Y269-S301 WeakPolarHBondContact CE2-OG 3.42Å; Y269-S301 PolarHBondContact OH-N 2.72Å; Y269-S301 PolarHBondContact OH-OG 3.39Å |
| 270 | E | 98.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 145.5 | -172.5 | 65.7 | -173.8 | 147.6 | 0 | 0 | 112.7 | L71 R94 S258 L268 S293 | L71-E270 HydrophobicContact CB-CB 4.18Å; L71-E270 HydrophobicContact CD2-CB 3.94Å; L71-E270 WeakPolarHBondContact CD2-OE2 3.34Å; L71-E270 VanDerWaalsContact O-CA 3.26Å; L71-E270 WeakPolarHBondContact O-CA 3.44Å; L71-E270 WeakPolarHBondContact O-CB 3.37Å; R94-E270 IonicContact CZ-OE1 3.02Å; R94-E270 IonicContact NH2-OE1 2.92Å; R94-E270 PolarHBondContact NH2-OE1 3.33Å; R94-E270 IonicContact NH2-OE2 3.32Å; S258-E270 PolarHBondContact N-O 3.45Å; S258-E270 PolarHBondContact O-N 3.03Å; S258-E270 VanDerWaalsContact OG-CG 3.25Å; S258-E270 WeakPolarHBondContact OG-CG 3.32Å; S258-E270 PolarHBondContact OG-O 3.33Å; L268-E270 HydrophobicContact CD2-CB 3.91Å; L268-E270 HydrophobicContact CD2-CG 3.89Å; E270-S293 PolarHBondContact O-OG 2.96Å |
| 271 | P | 97 | Very high | 94.6 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 147.8 | 159.9 | -23.9 | 35.1 | 0 | 0 | 0 | 112.1 | I17 L71 A72 H273 S289 M290 | I17-P271 HydrophobicContact CD1-CG 4.14Å; L71-P271 WeakPolarHBondContact O-CD 3.42Å; A72-P271 WeakPolarHBondContact O-CD 3.4Å; P271-H273 WeakPolarHBondContact CB-NE2 3.48Å; P271-S289 WeakPolarHBondContact CA-OG 3.37Å; P271-S289 WeakPolarHBondContact CB-OG 3.33Å; P271-M290 HydrophobicContact CG-CB 4.05Å; P271-M290 HydrophobicContact CG-SD 3.89Å |
| 272 | I | 92.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.8 | -17.7 | 173.5 | 68.7 | 168 | 0 | 0 | 0 | 113.4 | R104 L253 M256 | R104-I272 HydrophobicContact CG-CG2 4.34Å; L253-I272 HydrophobicContact CB-CD1 4.49Å; L253-I272 HydrophobicContact CB-CG1 4.38Å; L253-I272 HydrophobicContact CD2-CD1 3.75Å; L253-I272 HydrophobicContact CD2-CG1 4.4Å; M256-I272 HydrophobicContact CB-CD1 3.42Å; M256-I272 VanDerWaalsContact CB-CD1 3.42Å; M256-I272 HydrophobicContact CB-CG1 3.72Å; M256-I272 HydrophobicContact CB-CG2 4.45Å; M256-I272 HydrophobicContact CE-CD1 3.55Å; M256-I272 HydrophobicContact CG-CD1 4.14Å; M256-I272 PolarHBondContact O-N 3.15Å; M256-I272 HydrophobicContact SD-CD1 3.62Å |
| 273 | H | 90.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -80.6 | 160.8 | -176.1 | 62.9 | 58.8 | 0 | 0 | 0 | 112.3 | L253 P271 | L253-H273 HydrophobicContact CB-CB 3.85Å; L253-H273 HydrophobicContact CD1-CB 4.45Å; P271-H273 WeakPolarHBondContact CB-NE2 3.48Å |
| 274 | G | 91.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | trans | -77.2 | -170.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 275 | S | 94.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -81.1 | -8.3 | -174 | 63.3 | 0 | 0 | 0 | 0 | 115.9 | G12 I13 G75 | G12-S275 CarbonylContact C-O 3.48Å; G12-S275 VanDerWaalsContact CA-O 3.31Å; G12-S275 WeakPolarHBondContact CA-O 3.17Å; I13-S275 WeakPolarHBondContact CG1-O 3.43Å; I13-S275 PolarHBondContact N-O 3.41Å; G75-S275 WeakPolarHBondContact O-CB 3.33Å; G75-S275 PolarHBondContact O-OG 2.9Å | ||
| 276 | A | 95.1 | Very high | 96 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 26% | 0.256 | 22% | 0.224 | S | C | . | . | trans | 40.2 | 57.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I13 D278 I279 A280 | I13-A276 HydrophobicContact CD1-CB 4.08Å; I13-A276 HydrophobicContact CG1-CB 4.29Å; I13-A276 HydrophobicContact CG2-CB 4.04Å; A276-D278 VanDerWaalsContact C-OD1 3.32Å; A276-D278 PolarHBondContact O-N 3.38Å; A276-D278 VanDerWaalsContact O-N 3.1Å; A276-I279 HydrophobicContact CB-CD1 4.04Å; A276-I279 HydrophobicContact CB-CG1 3.78Å; A276-I279 WeakPolarHBondContact O-CG1 3.18Å; A276-I279 PolarHBondContact O-N 3.47Å; A276-I279 VanDerWaalsContact O-N 3.13Å; A276-A280 PolarHBondContact O-N 3.18Å | ||
| 277 | P | 94.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19 | -170.6 | 27.1 | -35.6 | 0 | 0 | 0 | 113.7 | I279 | P277-I279 VanDerWaalsContact C-N 3.31Š|
| 278 | D | 94.8 | Very high | 96.1 | Very high | 122 Ų | 122 | 32.4 Ų | 32.4 | 65% | 0.652 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -22.1 | 177.6 | 61.7 | -52.5 | 0 | 0 | 0 | 113.7 | A276 Q282 | A276-D278 VanDerWaalsContact C-OD1 3.32Å; A276-D278 PolarHBondContact O-N 3.38Å; A276-D278 VanDerWaalsContact O-N 3.1Å; D278-Q282 PolarHBondContact O-NE2 3.2Å |
| 279 | I | 95.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.195 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 0.3 | 177.6 | 63.1 | 165 | 0 | 0 | 0 | 113.9 | I13 A276 P277 G281 Q282 I284 A285 | I13-I279 HydrophobicContact CG2-CD1 4.07Å; I13-I279 HydrophobicContact CG2-CG1 3.69Å; A276-I279 HydrophobicContact CB-CD1 4.04Å; A276-I279 HydrophobicContact CB-CG1 3.78Å; A276-I279 WeakPolarHBondContact O-CG1 3.18Å; A276-I279 PolarHBondContact O-N 3.47Å; A276-I279 VanDerWaalsContact O-N 3.13Å; P277-I279 VanDerWaalsContact C-N 3.31Å; I279-G281 PolarHBondContact O-N 3.19Å; I279-Q282 WeakPolarHBondContact O-CB 3.25Å; I279-Q282 PolarHBondContact O-N 3.44Å; I279-I284 HydrophobicContact CB-CD1 4.2Å; I279-I284 HydrophobicContact CB-CG1 4.13Å; I279-I284 HydrophobicContact CG2-CD1 4Å; I279-I284 HydrophobicContact CG2-CG1 4.44Å; I279-A285 HydrophobicContact CD1-CB 4.44Å |
| 280 | A | 96.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I13 A276 Q282 | I13-A280 HydrophobicContact CG2-CB 4.4Å; A276-A280 PolarHBondContact O-N 3.18Å; A280-Q282 PolarHBondContact O-N 3.3Å |
| 281 | G | 96.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 72% | 0.722 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E16 I279 | E16-G281 PolarHBondContact OE1-N 2.69Å; I279-G281 PolarHBondContact O-N 3.19Å |
| 282 | Q | 97.7 | Very high | 96.2 | Very high | 111 Ų | 111 | 32.2 Ų | 32.2 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -91.6 | -8.5 | -179.8 | -62 | -178.7 | 36.4 | 0 | 0 | 113.1 | D278 I279 A280 I284 | D278-Q282 PolarHBondContact O-NE2 3.2Å; I279-Q282 WeakPolarHBondContact O-CB 3.25Å; I279-Q282 PolarHBondContact O-N 3.44Å; A280-Q282 PolarHBondContact O-N 3.3Å; Q282-I284 HydrophobicContact CB-CD1 4.26Å; Q282-I284 HydrophobicContact CB-CG1 3.94Å; Q282-I284 PolarHBondContact O-N 3.22Å |
| 283 | G | 97.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 67.6 | 23.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E16 S333 T334 | E16-G283 VanDerWaalsContact OE2-CA 3.29Å; E16-G283 WeakPolarHBondContact OE2-CA 3.37Å; E16-G283 PolarHBondContact OE2-N 2.87Å; G283-S333 CarbonylContact O-C 3.56Å; G283-S333 WeakPolarHBondContact O-CA 3.49Å; G283-S333 WeakPolarHBondContact O-CB 3.28Å; G283-T334 PolarHBondContact O-N 3.11Å; G283-T334 PolarHBondContact O-OG1 3.43Å |
| 284 | I | 97.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | trans | -117.2 | 6.1 | -179.4 | 64.4 | 172.9 | 0 | 0 | 0 | 113.1 | I279 Q282 T334 | I279-I284 HydrophobicContact CB-CD1 4.2Å; I279-I284 HydrophobicContact CB-CG1 4.13Å; I279-I284 HydrophobicContact CG2-CD1 4Å; I279-I284 HydrophobicContact CG2-CG1 4.44Å; Q282-I284 HydrophobicContact CB-CD1 4.26Å; Q282-I284 HydrophobicContact CB-CG1 3.94Å; Q282-I284 PolarHBondContact O-N 3.22Å; I284-T334 PolarHBondContact N-OG1 3Å | ||
| 285 | A | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -64.4 | 141.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I13 I17 I279 P287 T334 | I13-A285 HydrophobicContact CB-CB 3.82Å; I13-A285 HydrophobicContact CD1-CB 4.01Å; I13-A285 HydrophobicContact CG2-CB 3.8Å; I17-A285 HydrophobicContact CG2-CB 3.93Å; I279-A285 HydrophobicContact CD1-CB 4.44Å; A285-P287 VanDerWaalsContact O-CD 3.29Å; A285-P287 WeakPolarHBondContact O-CD 3.47Å; A285-T334 PolarHBondContact N-OG1 3.44Å; A285-T334 WeakPolarHBondContact O-CA 3.48Å; A285-T334 WeakPolarHBondContact O-CB 3.29Å; A285-T334 WeakPolarHBondContact O-CG2 3.48Å; A285-T334 PolarHBondContact O-OG1 2.96Å | ||
| 286 | N | 97.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | trans | -80.7 | 113.4 | 174.3 | -176.2 | -6.5 | 0 | 0 | 0 | 110.2 | V288 T325 D327 | N286-V288 VanDerWaalsContact C-N 3.33Å; N286-V288 WeakPolarHBondContact OD1-CB 3.37Å; N286-V288 VanDerWaalsContact OD1-CG2 3.22Å; N286-V288 WeakPolarHBondContact OD1-CG2 3.33Å; N286-V288 PolarHBondContact OD1-N 3.05Å; N286-V288 VanDerWaalsContact OD1-N 3.07Å; N286-T325 HydrophobicContact CB-CG2 4.28Å; N286-T325 VanDerWaalsContact CG-OG1 3.25Å; N286-T325 PolarHBondContact ND2-OG1 3.17Å; N286-D327 WeakPolarHBondContact CB-OD1 3.23Å; N286-D327 PolarHBondContact ND2-OD1 2.83Å; N286-D327 PolarHBondContact ND2-OD2 3.47Å | ||
| 287 | P | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -84 | -5.4 | -176.6 | 35.4 | -35.7 | 0 | 0 | 0 | 113.6 | I17 A20 A285 S289 M290 I291 T334 M337 | I17-P287 HydrophobicContact CG2-CB 4.45Å; A20-P287 HydrophobicContact CB-CB 3.48Å; A20-P287 VanDerWaalsContact CB-CB 3.48Å; A20-P287 HydrophobicContact CB-CG 4.27Å; A285-P287 VanDerWaalsContact O-CD 3.29Å; A285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-S289 PolarHBondContact O-N 3.39Å; P287-M290 WeakPolarHBondContact O-CB 3.34Å; P287-M290 PolarHBondContact O-N 3.45Å; P287-M290 VanDerWaalsContact O-N 3.12Å; P287-I291 HydrophobicContact CB-CD1 3.92Å; P287-I291 HydrophobicContact CG-CD1 3.98Å; P287-I291 WeakPolarHBondContact O-CG1 3.29Å; P287-I291 PolarHBondContact O-N 2.83Å; P287-T334 HydrophobicContact CB-CG2 4.04Å; P287-T334 HydrophobicContact CG-CG2 4.07Å; P287-M337 HydrophobicContact CG-CB 4.14Å; P287-M337 HydrophobicContact CG-CG 3.84Å | ||
| 288 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | -165.4 | 173.6 | 0 | 0 | 0 | 0 | 112.7 | V255 N286 M290 I291 L292 V315 F319 M337 I341 | V255-V288 HydrophobicContact CB-CG1 4.17Å; V255-V288 HydrophobicContact CG1-CB 4.21Å; V255-V288 HydrophobicContact CG1-CG1 3.96Å; N286-V288 VanDerWaalsContact C-N 3.33Å; N286-V288 WeakPolarHBondContact OD1-CB 3.37Å; N286-V288 VanDerWaalsContact OD1-CG2 3.22Å; N286-V288 WeakPolarHBondContact OD1-CG2 3.33Å; N286-V288 PolarHBondContact OD1-N 3.05Å; N286-V288 VanDerWaalsContact OD1-N 3.07Å; V288-M290 VanDerWaalsContact C-N 3.29Å; V288-M290 PolarHBondContact O-N 3.47Å; V288-I291 PolarHBondContact O-N 3.41Å; V288-L292 HydrophobicContact CG1-CD1 3.71Å; V288-L292 HydrophobicContact CG1-CG 4.05Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 3Å; V288-V315 HydrophobicContact CG1-CG1 3.68Å; V288-V315 HydrophobicContact CG1-CG2 4.37Å; V288-F319 HydrophobicContact CB-CZ 4.26Å; V288-F319 HydrophobicContact CG1-CE2 4.36Å; V288-F319 HydrophobicContact CG1-CZ 3.79Å; V288-F319 HydrophobicContact CG2-CE1 3.98Å; V288-F319 HydrophobicContact CG2-CZ 3.84Å; V288-M337 HydrophobicContact CG2-CE 4.43Å; V288-M337 HydrophobicContact CG2-CG 4.02Å; V288-M337 HydrophobicContact CG2-SD 4.04Å; V288-I341 HydrophobicContact CG2-CD1 4.13Å |
| 289 | S | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 177.9 | 175 | 0 | 0 | 0 | 0 | 112.4 | G254 M256 P271 P287 L292 S293 | G254-S289 VanDerWaalsContact O-CB 3.28Å; G254-S289 WeakPolarHBondContact O-CB 3.47Å; G254-S289 PolarHBondContact O-N 2.94Å; M256-S289 PolarHBondContact O-OG 3.32Å; P271-S289 WeakPolarHBondContact CA-OG 3.37Å; P271-S289 WeakPolarHBondContact CB-OG 3.33Å; P287-S289 PolarHBondContact O-N 3.39Å; S289-L292 PolarHBondContact O-N 3.46Å; S289-S293 WeakPolarHBondContact O-CB 3.44Å; S289-S293 PolarHBondContact O-N 3.46Å; S289-S293 PolarHBondContact O-OG 3.46Å |
| 290 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 175.1 | -171 | 64.3 | -136.5 | 0 | 0 | 111.5 | I17 M18 L70 A72 P271 P287 V288 S293 V294 | I17-M290 HydrophobicContact CB-CB 3.98Å; I17-M290 HydrophobicContact CB-CG 4.37Å; I17-M290 HydrophobicContact CD1-CB 4.26Å; I17-M290 HydrophobicContact CG1-CB 4.11Å; I17-M290 HydrophobicContact CG1-CG 4.23Å; I17-M290 VanDerWaalsContact O-CG 3.25Å; I17-M290 WeakPolarHBondContact O-CG 3.26Å; M18-M290 HydrophobicContact CE-CE 3.93Å; M18-M290 HydrophobicContact CE-SD 4.35Å; M18-M290 HydrophobicContact SD-CE 3.9Å; L70-M290 HydrophobicContact CB-CE 3.77Å; L70-M290 HydrophobicContact CD1-CE 4.16Å; L70-M290 HydrophobicContact CD2-CE 3.56Å; L70-M290 HydrophobicContact CG-CE 4.02Å; A72-M290 HydrophobicContact CB-SD 4.1Å; P271-M290 HydrophobicContact CG-CB 4.05Å; P271-M290 HydrophobicContact CG-SD 3.89Å; P287-M290 WeakPolarHBondContact O-CB 3.34Å; P287-M290 PolarHBondContact O-N 3.45Å; P287-M290 VanDerWaalsContact O-N 3.12Å; V288-M290 VanDerWaalsContact C-N 3.29Å; V288-M290 PolarHBondContact O-N 3.47Å; M290-S293 VanDerWaalsContact O-CB 3.31Å; M290-S293 WeakPolarHBondContact O-CB 3.48Å; M290-S293 PolarHBondContact O-N 3.39Å; M290-S293 VanDerWaalsContact O-N 3.15Å; M290-V294 HydrophobicContact CE-CG2 4.44Å; M290-V294 PolarHBondContact O-N 3.16Å |
| 291 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.7 | -70.1 | 165.3 | 0 | 0 | 0 | 111.4 | V24 P287 V288 S293 V294 A295 I311 V315 I341 | V24-I291 HydrophobicContact CB-CG1 4.4Å; V24-I291 HydrophobicContact CB-CG2 4.36Å; V24-I291 HydrophobicContact CG1-CG2 3.97Å; V24-I291 HydrophobicContact CG2-CD1 3.86Å; V24-I291 HydrophobicContact CG2-CG1 3.93Å; V24-I291 HydrophobicContact CG2-CG2 4.24Å; P287-I291 HydrophobicContact CB-CD1 3.92Å; P287-I291 HydrophobicContact CG-CD1 3.98Å; P287-I291 WeakPolarHBondContact O-CG1 3.29Å; P287-I291 PolarHBondContact O-N 2.83Å; V288-I291 PolarHBondContact O-N 3.41Å; I291-S293 VanDerWaalsContact C-N 3.28Å; I291-S293 PolarHBondContact O-N 3.21Å; I291-V294 WeakPolarHBondContact O-CB 3.09Å; I291-V294 PolarHBondContact O-N 3.06Å; I291-A295 PolarHBondContact O-N 3.4Å; I291-A295 VanDerWaalsContact O-N 3.08Å; I291-I311 HydrophobicContact CG2-CG2 3.38Å; I291-V315 HydrophobicContact CG2-CG2 4.13Å; I291-I341 HydrophobicContact CD1-CD1 3.62Å; I291-I341 HydrophobicContact CG2-CG2 4.43Å |
| 292 | L | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.1 | -26.8 | 175.1 | -67.3 | 173.1 | 0 | 0 | 0 | 112 | F109 V255 P257 V288 S289 V294 A295 M296 E312 V315 | F109-L292 HydrophobicContact CE2-CD1 4.21Å; F109-L292 HydrophobicContact CZ-CD1 3.94Å; V255-L292 VanDerWaalsContact O-CD1 3.23Å; V255-L292 WeakPolarHBondContact O-CD1 3.1Å; P257-L292 HydrophobicContact CB-CB 3.96Å; P257-L292 HydrophobicContact CG-CB 3.76Å; V288-L292 HydrophobicContact CG1-CD1 3.71Å; V288-L292 HydrophobicContact CG1-CG 4.05Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 3Å; S289-L292 PolarHBondContact O-N 3.46Å; L292-V294 VanDerWaalsContact C-N 3.33Å; L292-A295 WeakPolarHBondContact O-CB 3.37Å; L292-A295 PolarHBondContact O-N 2.92Å; L292-M296 PolarHBondContact O-N 3.34Å; L292-E312 HydrophobicContact CD2-CG 4.22Å; L292-V315 HydrophobicContact CD2-CB 4.4Å; L292-V315 HydrophobicContact CD2-CG1 4.46Å; L292-V315 HydrophobicContact CD2-CG2 4.09Å |
| 293 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 171.2 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | P257 E270 S289 M290 I291 M296 M297 | P257-S293 WeakPolarHBondContact CB-OG 3.39Å; E270-S293 PolarHBondContact O-OG 2.96Å; S289-S293 WeakPolarHBondContact O-CB 3.44Å; S289-S293 PolarHBondContact O-N 3.46Å; S289-S293 PolarHBondContact O-OG 3.46Å; M290-S293 VanDerWaalsContact O-CB 3.31Å; M290-S293 WeakPolarHBondContact O-CB 3.48Å; M290-S293 PolarHBondContact O-N 3.39Å; M290-S293 VanDerWaalsContact O-N 3.15Å; I291-S293 VanDerWaalsContact C-N 3.28Å; I291-S293 PolarHBondContact O-N 3.21Å; S293-M296 PolarHBondContact O-N 2.88Å; S293-M297 WeakPolarHBondContact O-CB 3.49Å; S293-M297 PolarHBondContact O-N 3.28Å |
| 294 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 169.3 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L25 L70 M290 I291 L292 M297 L298 I311 | L25-V294 HydrophobicContact CB-CG1 3.89Å; L25-V294 HydrophobicContact CD1-CG1 3.88Å; L25-V294 HydrophobicContact CG-CG1 4.31Å; L70-V294 HydrophobicContact CD1-CG2 4.01Å; L70-V294 HydrophobicContact CD2-CG2 4.15Å; M290-V294 HydrophobicContact CE-CG2 4.44Å; M290-V294 PolarHBondContact O-N 3.16Å; I291-V294 WeakPolarHBondContact O-CB 3.09Å; I291-V294 PolarHBondContact O-N 3.06Å; L292-V294 VanDerWaalsContact C-N 3.33Å; V294-M297 HydrophobicContact CG1-CE 4.29Å; V294-M297 WeakPolarHBondContact O-CB 3.48Å; V294-M297 PolarHBondContact O-N 2.95Å; V294-L298 HydrophobicContact CG1-CD1 4.33Å; V294-L298 WeakPolarHBondContact O-CG 3.32Å; V294-L298 PolarHBondContact O-N 3.24Å; V294-I311 HydrophobicContact CG1-CD1 3.94Å |
| 295 | A | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I291 L292 M297 L298 R299 A308 I311 E312 | I291-A295 PolarHBondContact O-N 3.4Å; I291-A295 VanDerWaalsContact O-N 3.08Å; L292-A295 WeakPolarHBondContact O-CB 3.37Å; L292-A295 PolarHBondContact O-N 2.92Å; A295-M297 VanDerWaalsContact C-N 3.32Å; A295-M297 PolarHBondContact O-N 3.2Å; A295-L298 PolarHBondContact O-N 3.42Å; A295-R299 PolarHBondContact O-N 2.86Å; A295-A308 HydrophobicContact CB-CB 4.24Å; A295-A308 WeakPolarHBondContact O-CB 3.48Å; A295-I311 HydrophobicContact CB-CB 4Å; A295-I311 HydrophobicContact CB-CD1 4.24Å; A295-I311 HydrophobicContact CB-CG2 3.96Å; A295-E312 HydrophobicContact CB-CG 4.18Å |
| 296 | M | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 174.1 | -72.3 | -172.5 | 75.4 | 0 | 0 | 111.5 | P105 P257 A259 Y269 L292 S293 L298 R299 E300 | P105-M296 HydrophobicContact CG-CE 3.95Å; P105-M296 HydrophobicContact CG-SD 4.23Å; P257-M296 HydrophobicContact CB-CG 4.28Å; P257-M296 HydrophobicContact CB-SD 3.55Å; P257-M296 VanDerWaalsContact CB-SD 3.55Å; P257-M296 HydrophobicContact CG-CG 4.12Å; P257-M296 HydrophobicContact CG-SD 3.46Å; P257-M296 WeakPolarHBondContact CG-SD 3.3Å; A259-M296 HydrophobicContact CB-CE 3.71Å; Y269-M296 HydrophobicContact CD1-CB 3.73Å; Y269-M296 HydrophobicContact CE1-CB 4.05Å; L292-M296 PolarHBondContact O-N 3.34Å; S293-M296 PolarHBondContact O-N 2.88Å; M296-L298 PolarHBondContact O-N 3.34Å; M296-R299 PolarHBondContact O-N 2.93Å; M296-E300 VanDerWaalsContact CE-OE1 3.22Å; M296-E300 WeakPolarHBondContact CE-OE1 3.39Å; M296-E300 WeakPolarHBondContact O-CB 3.46Å; M296-E300 WeakPolarHBondContact O-CG 3.4Å; M296-E300 PolarHBondContact O-N 3.13Å |
| 297 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 177.2 | -179.5 | -171.9 | 65.5 | 0 | 0 | 112.7 | I5 L25 A68 L70 Y269 S293 V294 A295 R299 E300 S301 F302 | I5-M297 HydrophobicContact CD1-CE 3.68Å; I5-M297 HydrophobicContact CD1-SD 4.03Å; I5-M297 HydrophobicContact CG1-CE 4.43Å; I5-M297 HydrophobicContact CG1-SD 4.12Å; I5-M297 HydrophobicContact CG2-SD 4.01Å; L25-M297 HydrophobicContact CD2-CE 4.13Å; A68-M297 HydrophobicContact CB-CG 3.66Å; A68-M297 HydrophobicContact CB-SD 3.7Å; L70-M297 HydrophobicContact CD1-CE 3.91Å; L70-M297 HydrophobicContact CD1-SD 3.95Å; L70-M297 HydrophobicContact CD2-CB 4.42Å; L70-M297 HydrophobicContact CD2-CE 4.38Å; L70-M297 HydrophobicContact CD2-SD 3.9Å; L70-M297 HydrophobicContact CG-CE 4.3Å; L70-M297 HydrophobicContact CG-SD 3.7Å; Y269-M297 HydrophobicContact CD1-CB 4.22Å; Y269-M297 HydrophobicContact CD2-CB 3.49Å; Y269-M297 VanDerWaalsContact CD2-CB 3.49Å; Y269-M297 HydrophobicContact CD2-CG 3.68Å; Y269-M297 HydrophobicContact CE1-CB 4.39Å; Y269-M297 HydrophobicContact CE2-CB 3.69Å; Y269-M297 HydrophobicContact CE2-CG 3.66Å; Y269-M297 HydrophobicContact CG-CB 3.78Å; Y269-M297 HydrophobicContact CG-CG 4.46Å; S293-M297 WeakPolarHBondContact O-CB 3.49Å; S293-M297 PolarHBondContact O-N 3.28Å; V294-M297 HydrophobicContact CG1-CE 4.29Å; V294-M297 WeakPolarHBondContact O-CB 3.48Å; V294-M297 PolarHBondContact O-N 2.95Å; A295-M297 VanDerWaalsContact C-N 3.32Å; A295-M297 PolarHBondContact O-N 3.2Å; M297-R299 VanDerWaalsContact C-N 3.32Å; M297-R299 PolarHBondContact O-N 3.43Å; M297-E300 PolarHBondContact O-N 2.91Å; M297-S301 WeakPolarHBondContact O-CB 3.42Å; M297-S301 PolarHBondContact O-N 3.13Å; M297-F302 HydrophobicContact CE-CE2 4.13Å; M297-F302 HydrophobicContact CG-CD2 4.16Å; M297-F302 HydrophobicContact CG-CE2 3.65Å; M297-F302 HydrophobicContact SD-CE2 3.9Å |
| 298 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 177.2 | -74.7 | 175.3 | 0 | 0 | 0 | 111.2 | L25 V28 I32 F34 V294 A295 M296 F302 G303 E304 A308 I311 | L25-L298 HydrophobicContact CD1-CD1 4.2Å; L25-L298 HydrophobicContact CD1-CD2 3.93Å; L25-L298 HydrophobicContact CD1-CG 4.29Å; V28-L298 HydrophobicContact CG1-CD1 3.81Å; I32-L298 HydrophobicContact CD1-CD2 4.5Å; F34-L298 HydrophobicContact CD1-CD2 3.95Å; F34-L298 HydrophobicContact CE1-CD2 3.86Å; F34-L298 HydrophobicContact CG-CD2 4.32Å; F34-L298 HydrophobicContact CZ-CD2 4.17Å; V294-L298 HydrophobicContact CG1-CD1 4.33Å; V294-L298 WeakPolarHBondContact O-CG 3.32Å; V294-L298 PolarHBondContact O-N 3.24Å; A295-L298 PolarHBondContact O-N 3.42Å; M296-L298 PolarHBondContact O-N 3.34Å; L298-F302 HydrophobicContact CD2-CD2 4.34Å; L298-F302 CarbonylContact O-C 3.59Å; L298-F302 WeakPolarHBondContact O-CB 3.21Å; L298-F302 PolarHBondContact O-N 3.03Å; L298-G303 PolarHBondContact O-N 2.7Å; L298-G303 VanDerWaalsContact O-N 3.11Å; L298-E304 HydrophobicContact CB-CB 4.06Å; L298-E304 HydrophobicContact CD2-CB 4.21Å; L298-E304 PolarHBondContact O-N 2.98Å; L298-A308 HydrophobicContact CB-CB 4.39Å; L298-I311 HydrophobicContact CD1-CD1 3.83Å |
| 299 | R | 97.2 | Very high | 97.8 | Very high | 71 Ų | 71 | 26.5 Ų | 26.5 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.5 | -50.8 | -179.9 | -172.5 | -178.7 | -61.9 | -83.9 | 2.2 | 112.3 | A295 M296 M297 G303 V305 A308 E309 E312 | A295-R299 PolarHBondContact O-N 2.86Å; M296-R299 PolarHBondContact O-N 2.93Å; M297-R299 VanDerWaalsContact C-N 3.32Å; M297-R299 PolarHBondContact O-N 3.43Å; R299-G303 WeakPolarHBondContact O-CA 3.49Å; R299-G303 PolarHBondContact O-N 2.99Å; R299-V305 HydrophobicContact CG-CG2 4.35Å; R299-A308 HydrophobicContact CB-CB 3.79Å; R299-E309 IonicContact NH1-OE1 3.47Å; R299-E312 IonicContact CZ-OE1 2.73Å; R299-E312 IonicContact NE-OE1 3.18Å; R299-E312 IonicContact NH2-OE1 2.87Å; R299-E312 PolarHBondContact NH2-OE1 3.36Å; R299-E312 IonicContact NH2-OE2 3.61Å; R299-E312 PolarHBondContact NH2-OE2 3.24Å |
| 300 | E | 95.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 29.1 Ų | 29.1 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -94.6 | -34 | -162.4 | -64.1 | -171.8 | -138.9 | 0 | 0 | 113.9 | H261 Y269 M296 M297 | H261-E300 IonicContact CE1-OE2 3.66Å; H261-E300 PolarHBondContact CE1-OE2 3.43Å; H261-E300 IonicContact NE2-OE2 2.7Å; H261-E300 PolarHBondContact NE2-OE2 2.99Å; Y269-E300 HydrophobicContact CE1-CB 4.17Å; Y269-E300 WeakPolarHBondContact OH-CB 3.2Å; M296-E300 VanDerWaalsContact CE-OE1 3.22Å; M296-E300 WeakPolarHBondContact CE-OE1 3.39Å; M296-E300 WeakPolarHBondContact O-CB 3.46Å; M296-E300 WeakPolarHBondContact O-CG 3.4Å; M296-E300 PolarHBondContact O-N 3.13Å; M297-E300 PolarHBondContact O-N 2.91Å |
| 301 | S | 96.8 | Very high | 97.9 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -91.6 | -28 | 176.6 | -79.9 | 0 | 0 | 0 | 0 | 113 | Y269 M297 | Y269-S301 WeakPolarHBondContact CE2-OG 3.42Å; Y269-S301 PolarHBondContact OH-N 2.72Å; Y269-S301 PolarHBondContact OH-OG 3.39Å; M297-S301 WeakPolarHBondContact O-CB 3.42Å; M297-S301 PolarHBondContact O-N 3.13Å |
| 302 | F | 96.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -118.8 | -9.3 | -171 | -55 | -53.5 | 0 | 0 | 0 | 114.5 | K3 I5 F34 D67 A68 M297 L298 E304 | K3-F302 HydrophobicContact CB-CD1 4.26Å; K3-F302 HydrophobicContact CB-CE1 3.68Å; K3-F302 HydrophobicContact CB-CZ 4Å; K3-F302 HydrophobicContact CD-CD1 3.94Å; K3-F302 HydrophobicContact CD-CE1 3.86Å; K3-F302 HydrophobicContact CG-CD1 3.78Å; K3-F302 HydrophobicContact CG-CE1 3.69Å; K3-F302 HydrophobicContact CG-CZ 4.42Å; I5-F302 HydrophobicContact CD1-CE2 4.01Å; I5-F302 HydrophobicContact CD1-CZ 4.26Å; I5-F302 HydrophobicContact CG1-CE2 4.08Å; I5-F302 HydrophobicContact CG1-CZ 3.87Å; F34-F302 HydrophobicContact CE1-CD2 4.35Å; F34-F302 HydrophobicContact CE1-CE2 4.46Å; F34-F302 HydrophobicContact CE2-CB 3.79Å; F34-F302 HydrophobicContact CE2-CD1 4.12Å; F34-F302 AromaticContact CE2-CD2 3.84Å; F34-F302 HydrophobicContact CE2-CD2 3.84Å; F34-F302 HydrophobicContact CE2-CE2 4.45Å; F34-F302 AromaticContact CE2-CG 3.64Å; F34-F302 HydrophobicContact CE2-CG 3.64Å; F34-F302 HydrophobicContact CZ-CB 4.28Å; F34-F302 HydrophobicContact CZ-CD1 4.17Å; F34-F302 AromaticContact CZ-CD2 3.4Å; F34-F302 HydrophobicContact CZ-CD2 3.4Å; F34-F302 VanDerWaalsContact CZ-CD2 3.4Å; F34-F302 HydrophobicContact CZ-CE1 4.37Å; F34-F302 AromaticContact CZ-CE2 3.65Å; F34-F302 HydrophobicContact CZ-CE2 3.65Å; F34-F302 AromaticContact CZ-CG 3.69Å; F34-F302 HydrophobicContact CZ-CG 3.69Å; F34-F302 HydrophobicContact CZ-CZ 4.14Å; D67-F302 HydrophobicContact CB-CE1 3.62Å; D67-F302 HydrophobicContact CB-CZ 4.11Å; A68-F302 HydrophobicContact CB-CE2 3.96Å; A68-F302 HydrophobicContact CB-CZ 3.61Å; M297-F302 HydrophobicContact CE-CE2 4.13Å; M297-F302 HydrophobicContact CG-CD2 4.16Å; M297-F302 HydrophobicContact CG-CE2 3.65Å; M297-F302 HydrophobicContact SD-CE2 3.9Å; L298-F302 HydrophobicContact CD2-CD2 4.34Å; L298-F302 CarbonylContact O-C 3.59Å; L298-F302 WeakPolarHBondContact O-CB 3.21Å; L298-F302 PolarHBondContact O-N 3.03Å; F302-E304 HydrophobicContact CB-CG 3.99Å; F302-E304 PolarHBondContact O-N 3.44Å |
| 303 | G | 95.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 35 Ų | 35 | 55% | 0.546 | 20% | 0.197 | S | C | . | . | trans | 69.1 | 12 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L298 R299 V305 | L298-G303 PolarHBondContact O-N 2.7Å; L298-G303 VanDerWaalsContact O-N 3.11Å; R299-G303 WeakPolarHBondContact O-CA 3.49Å; R299-G303 PolarHBondContact O-N 2.99Å; G303-V305 PolarHBondContact O-N 2.64Å | ||
| 304 | E | 97.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 35 Ų | 35 | 27% | 0.271 | 20% | 0.197 | S | C | . | . | trans | -81.1 | 61.2 | -179.3 | -66.8 | -61.3 | 164.7 | 0 | 0 | 110.7 | I32 F34 L298 F302 A306 G307 A308 | I32-E304 HydrophobicContact CD1-CB 4.01Å; I32-E304 HydrophobicContact CD1-CG 4.08Å; F34-E304 HydrophobicContact CD2-CG 3.82Å; F34-E304 HydrophobicContact CE2-CG 4.26Å; L298-E304 HydrophobicContact CB-CB 4.06Å; L298-E304 HydrophobicContact CD2-CB 4.21Å; L298-E304 PolarHBondContact O-N 2.98Å; F302-E304 HydrophobicContact CB-CG 3.99Å; F302-E304 PolarHBondContact O-N 3.44Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.19Å; E304-G307 PolarHBondContact O-N 3.43Å; E304-G307 VanDerWaalsContact O-N 3.11Å; E304-A308 PolarHBondContact O-N 2.86Å | ||
| 305 | V | 97.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 35 Ų | 35 | 38% | 0.376 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.8 | -45 | -178 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | R299 G303 G307 A308 E309 | R299-V305 HydrophobicContact CG-CG2 4.35Å; G303-V305 PolarHBondContact O-N 2.64Å; V305-G307 VanDerWaalsContact C-N 3.32Å; V305-G307 PolarHBondContact O-N 3.3Å; V305-A308 PolarHBondContact O-N 2.59Å; V305-E309 HydrophobicContact CG1-CG 4.43Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.22Å; V305-E309 WeakPolarHBondContact O-CG 3.29Å; V305-E309 PolarHBondContact O-N 3.43Å |
| 306 | A | 97.2 | Very high | 97.8 | Very high | 58 Ų | 58 | 36.9 Ų | 36.9 | 48% | 0.479 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E304 E309 L310 | E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.19Å; A306-E309 PolarHBondContact O-N 2.85Å; A306-L310 VanDerWaalsContact O-CG 3.3Å; A306-L310 WeakPolarHBondContact O-CG 3.36Å; A306-L310 PolarHBondContact O-N 3.18Å |
| 307 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E304 V305 L310 I311 | E304-G307 PolarHBondContact O-N 3.43Å; E304-G307 VanDerWaalsContact O-N 3.11Å; V305-G307 VanDerWaalsContact C-N 3.32Å; V305-G307 PolarHBondContact O-N 3.3Å; G307-L310 PolarHBondContact O-N 2.87Å; G307-I311 PolarHBondContact O-N 2.87Å |
| 308 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A295 L298 R299 E304 V305 L310 I311 E312 | A295-A308 HydrophobicContact CB-CB 4.24Å; A295-A308 WeakPolarHBondContact O-CB 3.48Å; L298-A308 HydrophobicContact CB-CB 4.39Å; R299-A308 HydrophobicContact CB-CB 3.79Å; E304-A308 PolarHBondContact O-N 2.86Å; V305-A308 PolarHBondContact O-N 2.59Å; A308-L310 VanDerWaalsContact C-N 3.33Å; A308-L310 PolarHBondContact O-N 3.29Å; A308-I311 PolarHBondContact O-N 3.18Å; A308-E312 WeakPolarHBondContact O-CG 3.29Å; A308-E312 PolarHBondContact O-N 3.37Å |
| 309 | E | 98.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 40% | 0.397 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.1 | -34.3 | 178.9 | -72.3 | 176 | -179.1 | 0 | 0 | 112.6 | R299 V305 A306 N313 | R299-E309 IonicContact NH1-OE1 3.47Å; V305-E309 HydrophobicContact CG1-CG 4.43Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.22Å; V305-E309 WeakPolarHBondContact O-CG 3.29Å; V305-E309 PolarHBondContact O-N 3.43Å; A306-E309 PolarHBondContact O-N 2.85Å; E309-N313 WeakPolarHBondContact O-CB 3.34Å; E309-N313 PolarHBondContact O-N 3.24Å; E309-N313 PolarHBondContact O-ND2 3.09Å |
| 310 | L | 98.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 172.8 | -74.6 | 173.5 | 0 | 0 | 0 | 111.1 | V28 K31 I32 A306 G307 A308 A314 L345 | V28-L310 HydrophobicContact CG2-CB 4.11Å; V28-L310 HydrophobicContact CG2-CD1 4Å; K31-L310 HydrophobicContact CD-CD1 4.42Å; I32-L310 HydrophobicContact CG2-CD1 4.37Å; A306-L310 VanDerWaalsContact O-CG 3.3Å; A306-L310 WeakPolarHBondContact O-CG 3.36Å; A306-L310 PolarHBondContact O-N 3.18Å; G307-L310 PolarHBondContact O-N 2.87Å; A308-L310 VanDerWaalsContact C-N 3.33Å; A308-L310 PolarHBondContact O-N 3.29Å; L310-A314 WeakPolarHBondContact O-CB 3.49Å; L310-A314 PolarHBondContact O-N 2.73Å; L310-L345 HydrophobicContact CB-CD2 4.33Å |
| 311 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -51 | 177.4 | -63.9 | 175.4 | 0 | 0 | 0 | 110.7 | V24 V28 I291 V294 A295 L298 G307 A308 N313 A314 V315 L345 | V24-I311 HydrophobicContact CG1-CD1 3.96Å; V24-I311 HydrophobicContact CG1-CG1 3.83Å; V24-I311 HydrophobicContact CG1-CG2 4.24Å; V28-I311 HydrophobicContact CB-CG1 4.4Å; V28-I311 HydrophobicContact CG1-CD1 4.04Å; V28-I311 HydrophobicContact CG1-CG1 4.36Å; V28-I311 HydrophobicContact CG2-CG1 4.45Å; I291-I311 HydrophobicContact CG2-CG2 3.38Å; V294-I311 HydrophobicContact CG1-CD1 3.94Å; A295-I311 HydrophobicContact CB-CB 4Å; A295-I311 HydrophobicContact CB-CD1 4.24Å; A295-I311 HydrophobicContact CB-CG2 3.96Å; L298-I311 HydrophobicContact CD1-CD1 3.83Å; G307-I311 PolarHBondContact O-N 2.87Å; A308-I311 PolarHBondContact O-N 3.18Å; I311-N313 VanDerWaalsContact C-N 3.33Å; I311-N313 PolarHBondContact O-N 3.34Å; I311-A314 PolarHBondContact O-N 3.35Å; I311-A314 VanDerWaalsContact O-N 3.13Å; I311-V315 HydrophobicContact CG2-CG2 4.45Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 2.91Å; I311-L345 HydrophobicContact CG1-CD2 4.09Å |
| 312 | E | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 45 Ų | 45 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | -178.1 | -70.3 | 163.2 | -172.3 | 0 | 0 | 111.6 | L292 A295 R299 A308 V315 D316 | L292-E312 HydrophobicContact CD2-CG 4.22Å; A295-E312 HydrophobicContact CB-CG 4.18Å; R299-E312 IonicContact CZ-OE1 2.73Å; R299-E312 IonicContact NE-OE1 3.18Å; R299-E312 IonicContact NH2-OE1 2.87Å; R299-E312 PolarHBondContact NH2-OE1 3.36Å; R299-E312 IonicContact NH2-OE2 3.61Å; R299-E312 PolarHBondContact NH2-OE2 3.24Å; A308-E312 WeakPolarHBondContact O-CG 3.29Å; A308-E312 PolarHBondContact O-N 3.37Å; E312-V315 PolarHBondContact O-N 3.03Å; E312-D316 PolarHBondContact O-N 3.1Å |
| 313 | N | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 176.9 | -71 | -40.2 | 0 | 0 | 0 | 112.2 | E309 I311 D316 K317 | E309-N313 WeakPolarHBondContact O-CB 3.34Å; E309-N313 PolarHBondContact O-N 3.24Å; E309-N313 PolarHBondContact O-ND2 3.09Å; I311-N313 VanDerWaalsContact C-N 3.33Å; I311-N313 PolarHBondContact O-N 3.34Å; N313-D316 PolarHBondContact O-N 2.88Å; N313-K317 WeakPolarHBondContact O-CB 3.21Å; N313-K317 VanDerWaalsContact O-CG 3.26Å; N313-K317 WeakPolarHBondContact O-CG 3.36Å; N313-K317 PolarHBondContact O-N 3.08Å |
| 314 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L310 I311 T318 I341 N344 L345 | L310-A314 WeakPolarHBondContact O-CB 3.49Å; L310-A314 PolarHBondContact O-N 2.73Å; I311-A314 PolarHBondContact O-N 3.35Å; I311-A314 VanDerWaalsContact O-N 3.13Å; A314-T318 WeakPolarHBondContact O-CB 3.23Å; A314-T318 PolarHBondContact O-N 3.28Å; A314-T318 PolarHBondContact O-OG1 2.88Å; A314-I341 HydrophobicContact CB-CG2 4.01Å; A314-I341 WeakPolarHBondContact CB-O 3.29Å; A314-N344 HydrophobicContact CB-CB 3.88Å; A314-L345 HydrophobicContact CB-CD2 3.8Å; A314-L345 HydrophobicContact CB-CG 4.22Å |
| 315 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 171.7 | 170 | 0 | 0 | 0 | 0 | 110.4 | F109 V288 I291 L292 I311 E312 K317 T318 F319 I341 | F109-V315 HydrophobicContact CE1-CG1 4.15Å; F109-V315 HydrophobicContact CZ-CG1 4.17Å; V288-V315 HydrophobicContact CG1-CG1 3.68Å; V288-V315 HydrophobicContact CG1-CG2 4.37Å; I291-V315 HydrophobicContact CG2-CG2 4.13Å; L292-V315 HydrophobicContact CD2-CB 4.4Å; L292-V315 HydrophobicContact CD2-CG1 4.46Å; L292-V315 HydrophobicContact CD2-CG2 4.09Å; I311-V315 HydrophobicContact CG2-CG2 4.45Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 2.91Å; E312-V315 PolarHBondContact O-N 3.03Å; V315-K317 PolarHBondContact O-N 2.99Å; V315-T318 WeakPolarHBondContact O-CB 3.47Å; V315-T318 PolarHBondContact O-N 3.38Å; V315-T318 VanDerWaalsContact O-N 3.14Å; V315-F319 HydrophobicContact CG1-CD2 3.94Å; V315-F319 HydrophobicContact CG1-CE2 3.45Å; V315-F319 VanDerWaalsContact CG1-CE2 3.45Å; V315-F319 HydrophobicContact CG1-CZ 3.84Å; V315-F319 WeakPolarHBondContact O-CG 3.49Å; V315-F319 PolarHBondContact O-N 3.24Å; V315-I341 HydrophobicContact CG2-CD1 3.97Å; V315-I341 HydrophobicContact CG2-CG1 4.27Å; V315-I341 HydrophobicContact CG2-CG2 4.24Å |
| 316 | D | 97.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 180 | -171.9 | 69.9 | 0 | 0 | 0 | 112.4 | E312 N313 T318 F319 N320 | E312-D316 PolarHBondContact O-N 3.1Å; N313-D316 PolarHBondContact O-N 2.88Å; D316-T318 VanDerWaalsContact C-N 3.34Å; D316-T318 PolarHBondContact O-N 3.46Å; D316-F319 PolarHBondContact O-N 3.18Å; D316-N320 WeakPolarHBondContact O-CB 2.92Å; D316-N320 PolarHBondContact O-N 3.41Å; D316-N320 PolarHBondContact O-ND2 2.84Å; D316-N320 PolarHBondContact OD2-ND2 3Å |
| 317 | K | 98.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 48.3 Ų | 48.3 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 173.4 | -75.2 | 173.2 | -173.1 | 171.6 | 0 | 112.3 | N313 V315 F319 N320 Q321 N344 | N313-K317 WeakPolarHBondContact O-CB 3.21Å; N313-K317 VanDerWaalsContact O-CG 3.26Å; N313-K317 WeakPolarHBondContact O-CG 3.36Å; N313-K317 PolarHBondContact O-N 3.08Å; V315-K317 PolarHBondContact O-N 2.99Å; K317-F319 VanDerWaalsContact C-N 3.35Å; K317-F319 PolarHBondContact O-N 2.94Å; K317-N320 PolarHBondContact O-N 3.32Å; K317-Q321 VanDerWaalsContact O-CG 3.25Å; K317-Q321 WeakPolarHBondContact O-CG 3.45Å; K317-Q321 PolarHBondContact O-N 3.25Å; K317-N344 HydrophobicContact CB-CB 4.22Å; K317-N344 HydrophobicContact CD-CB 4.34Å |
| 318 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | -179.8 | -58.9 | 0 | 0 | 0 | 0 | 111 | A314 V315 D316 Q321 I323 M337 A340 I341 N344 | A314-T318 WeakPolarHBondContact O-CB 3.23Å; A314-T318 PolarHBondContact O-N 3.28Å; A314-T318 PolarHBondContact O-OG1 2.88Å; V315-T318 WeakPolarHBondContact O-CB 3.47Å; V315-T318 PolarHBondContact O-N 3.38Å; V315-T318 VanDerWaalsContact O-N 3.14Å; D316-T318 VanDerWaalsContact C-N 3.34Å; D316-T318 PolarHBondContact O-N 3.46Å; T318-Q321 WeakPolarHBondContact O-CB 3.49Å; T318-Q321 PolarHBondContact O-N 2.97Å; T318-I323 HydrophobicContact CG2-CB 3.76Å; T318-I323 HydrophobicContact CG2-CD1 4.4Å; T318-I323 HydrophobicContact CG2-CG2 3.95Å; T318-I323 PolarHBondContact O-N 3.35Å; T318-M337 HydrophobicContact CG2-SD 3.72Å; T318-A340 HydrophobicContact CG2-CB 3.73Å; T318-I341 HydrophobicContact CG2-CG1 4.11Å; T318-N344 PolarHBondContact OG1-ND2 2.93Å |
| 319 | F | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 174 | -65.2 | -26 | 0 | 0 | 0 | 112.7 | F109 A111 L112 V255 V288 V315 D316 K317 Q321 G322 L324 L328 M337 | F109-F319 HydrophobicContact CB-CD2 4.17Å; F109-F319 AromaticContact CD1-CD2 3.87Å; F109-F319 HydrophobicContact CD1-CD2 3.87Å; F109-F319 HydrophobicContact CD1-CE2 4.08Å; F109-F319 HydrophobicContact CD2-CD2 4.4Å; F109-F319 AromaticContact CD2-CE2 3.96Å; F109-F319 HydrophobicContact CD2-CE2 3.96Å; F109-F319 HydrophobicContact CE1-CD2 4.36Å; F109-F319 HydrophobicContact CE1-CE2 4.27Å; F109-F319 HydrophobicContact CE2-CE2 4.16Å; F109-F319 AromaticContact CG-CD2 3.89Å; F109-F319 HydrophobicContact CG-CD2 3.89Å; F109-F319 AromaticContact CG-CE2 3.92Å; F109-F319 HydrophobicContact CG-CE2 3.92Å; F109-F319 HydrophobicContact CZ-CE2 4.31Å; A111-F319 HydrophobicContact CB-CB 3.78Å; L112-F319 HydrophobicContact CD1-CD2 4.09Å; L112-F319 HydrophobicContact CD1-CE2 3.73Å; L112-F319 HydrophobicContact CD1-CZ 3.96Å; L112-F319 HydrophobicContact CG-CD2 4.37Å; L112-F319 HydrophobicContact CG-CE2 4.49Å; V255-F319 HydrophobicContact CG1-CE2 4.18Å; V255-F319 HydrophobicContact CG1-CZ 3.72Å; V288-F319 HydrophobicContact CB-CZ 4.26Å; V288-F319 HydrophobicContact CG1-CE2 4.36Å; V288-F319 HydrophobicContact CG1-CZ 3.79Å; V288-F319 HydrophobicContact CG2-CE1 3.98Å; V288-F319 HydrophobicContact CG2-CZ 3.84Å; V315-F319 HydrophobicContact CG1-CD2 3.94Å; V315-F319 HydrophobicContact CG1-CE2 3.45Å; V315-F319 VanDerWaalsContact CG1-CE2 3.45Å; V315-F319 HydrophobicContact CG1-CZ 3.84Å; V315-F319 WeakPolarHBondContact O-CG 3.49Å; V315-F319 PolarHBondContact O-N 3.24Å; D316-F319 PolarHBondContact O-N 3.18Å; K317-F319 VanDerWaalsContact C-N 3.35Å; K317-F319 PolarHBondContact O-N 2.94Å; F319-Q321 PolarHBondContact O-N 3.02Å; F319-G322 WeakPolarHBondContact O-CA 3.46Å; F319-G322 PolarHBondContact O-N 2.94Å; F319-L324 HydrophobicContact CB-CD2 4.45Å; F319-L324 HydrophobicContact CD1-CD2 3.68Å; F319-L324 HydrophobicContact CE1-CD2 4.25Å; F319-L324 HydrophobicContact CG-CD2 4.35Å; F319-L328 HydrophobicContact CE1-CD1 3.72Å; F319-L328 HydrophobicContact CZ-CD1 4.08Å; F319-M337 HydrophobicContact CE1-CE 4.05Å; F319-M337 HydrophobicContact CE1-SD 4.43Å |
| 320 | N | 97.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -20.8 | 177 | -74.2 | -43.3 | 0 | 0 | 0 | 113.3 | D316 K317 G322 | D316-N320 WeakPolarHBondContact O-CB 2.92Å; D316-N320 PolarHBondContact O-N 3.41Å; D316-N320 PolarHBondContact O-ND2 2.84Å; D316-N320 PolarHBondContact OD2-ND2 3Å; K317-N320 PolarHBondContact O-N 3.32Å; N320-G322 PolarHBondContact O-N 3.4Å |
| 321 | Q | 97.9 | Very high | 97.1 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3 | 169.6 | -71.8 | 164.4 | -2.4 | 0 | 0 | 113.1 | K317 T318 F319 I323 N344 | K317-Q321 VanDerWaalsContact O-CG 3.25Å; K317-Q321 WeakPolarHBondContact O-CG 3.45Å; K317-Q321 PolarHBondContact O-N 3.25Å; T318-Q321 WeakPolarHBondContact O-CB 3.49Å; T318-Q321 PolarHBondContact O-N 2.97Å; F319-Q321 PolarHBondContact O-N 3.02Å; Q321-I323 VanDerWaalsContact C-N 3.28Å; Q321-I323 HydrophobicContact CB-CD1 4.24Å; Q321-I323 HydrophobicContact CB-CG1 4.23Å; Q321-I323 PolarHBondContact O-N 2.68Å; Q321-N344 PolarHBondContact NE2-OD1 3.29Å; Q321-N344 PolarHBondContact OE1-ND2 2.92Å |
| 322 | G | 96.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 13.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | F319 N320 L324 | F319-G322 WeakPolarHBondContact O-CA 3.46Å; F319-G322 PolarHBondContact O-N 2.94Å; N320-G322 PolarHBondContact O-N 3.4Å; G322-L324 PolarHBondContact O-N 2.95Å |
| 323 | I | 98 | Very high | 97.1 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | trans | -83.2 | 100.1 | 176.6 | -57.9 | 172.8 | 0 | 0 | 0 | 107.3 | T318 Q321 A332 M337 A340 | T318-I323 HydrophobicContact CG2-CB 3.76Å; T318-I323 HydrophobicContact CG2-CD1 4.4Å; T318-I323 HydrophobicContact CG2-CG2 3.95Å; T318-I323 PolarHBondContact O-N 3.35Å; Q321-I323 VanDerWaalsContact C-N 3.28Å; Q321-I323 HydrophobicContact CB-CD1 4.24Å; Q321-I323 HydrophobicContact CB-CG1 4.23Å; Q321-I323 PolarHBondContact O-N 2.68Å; I323-A332 HydrophobicContact CG2-CB 4.05Å; I323-M337 VanDerWaalsContact O-CE 3.23Å; I323-M337 WeakPolarHBondContact O-CE 3.4Å; I323-A340 HydrophobicContact CD1-CB 3.61Å; I323-A340 HydrophobicContact CG2-CB 4.01Å | ||
| 324 | L | 97.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | trans | -126.1 | 140 | -174.2 | -62.1 | 179.9 | 0 | 0 | 0 | 110 | L112 F319 G322 L328 G330 K331 A332 | L112-L324 HydrophobicContact CD2-CD2 3.71Å; F319-L324 HydrophobicContact CB-CD2 4.45Å; F319-L324 HydrophobicContact CD1-CD2 3.68Å; F319-L324 HydrophobicContact CE1-CD2 4.25Å; F319-L324 HydrophobicContact CG-CD2 4.35Å; G322-L324 PolarHBondContact O-N 2.95Å; L324-L328 HydrophobicContact CB-CB 3.99Å; L324-L328 HydrophobicContact CD2-CB 4.25Å; L324-L328 HydrophobicContact CD2-CD1 4.11Å; L324-G330 CarbonylContact O-C 3.34Å; L324-G330 WeakPolarHBondContact O-CA 3.21Å; L324-K331 PolarHBondContact O-N 3.35Å; L324-A332 VanDerWaalsContact O-CB 3.29Å; L324-A332 WeakPolarHBondContact O-CB 3.41Å; L324-A332 PolarHBondContact O-N 3Å | ||
| 325 | T | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 169.3 | 170.6 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | N286 D327 L328 G329 G330 A332 M337 | N286-T325 HydrophobicContact CB-CG2 4.28Å; N286-T325 VanDerWaalsContact CG-OG1 3.25Å; N286-T325 PolarHBondContact ND2-OG1 3.17Å; T325-D327 VanDerWaalsContact C-N 3.34Å; T325-D327 VanDerWaalsContact CB-OD1 3.23Å; T325-D327 WeakPolarHBondContact CB-OD1 3.46Å; T325-D327 PolarHBondContact O-N 3.35Å; T325-D327 PolarHBondContact OG1-OD1 3.34Å; T325-L328 CarbonylContact O-C 3.6Å; T325-L328 WeakPolarHBondContact O-CA 3.36Å; T325-L328 PolarHBondContact O-N 3.48Å; T325-G329 PolarHBondContact O-N 2.94Å; T325-G330 WeakPolarHBondContact O-CA 3.26Å; T325-G330 PolarHBondContact O-N 2.87Å; T325-A332 WeakPolarHBondContact CA-O 3.37Å; T325-A332 HydrophobicContact CG2-CB 4.43Å; T325-M337 HydrophobicContact CG2-CB 3.92Å; T325-M337 HydrophobicContact CG2-CE 3.74Å; T325-M337 HydrophobicContact CG2-CG 4.17Å |
| 326 | R | 94.7 | Very high | 97.1 | Very high | 173 Ų | 173 | 60.5 Ų | 60.5 | 65% | 0.653 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -59 | -40.3 | -174.3 | -178.4 | -179 | 170 | -168.3 | -4.8 | 113.6 | L328 G329 | R326-L328 PolarHBondContact O-N 3.37Å; R326-G329 PolarHBondContact O-N 3.02Å; R326-G329 VanDerWaalsContact O-N 3.1Å |
| 327 | D | 93.4 | Very high | 97.2 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -63.6 | -27.2 | 176.5 | 65.8 | -53.5 | 0 | 0 | 0 | 112.5 | N286 T325 G329 | N286-D327 WeakPolarHBondContact CB-OD1 3.23Å; N286-D327 PolarHBondContact ND2-OD1 2.83Å; N286-D327 PolarHBondContact ND2-OD2 3.47Å; T325-D327 VanDerWaalsContact C-N 3.34Å; T325-D327 VanDerWaalsContact CB-OD1 3.23Å; T325-D327 WeakPolarHBondContact CB-OD1 3.46Å; T325-D327 PolarHBondContact O-N 3.35Å; T325-D327 PolarHBondContact OG1-OD1 3.34Å; D327-G329 VanDerWaalsContact C-N 3.3Å |
| 328 | L | 95.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -90.5 | 9.6 | 176.2 | -54.6 | -177 | 0 | 0 | 0 | 112.8 | L112 L115 T252 V255 F319 L324 T325 R326 | L112-L328 HydrophobicContact CD1-CD1 4.32Å; L112-L328 HydrophobicContact CD1-CD2 4.28Å; L112-L328 HydrophobicContact CD2-CB 4.49Å; L112-L328 HydrophobicContact CD2-CD1 4.32Å; L115-L328 HydrophobicContact CD1-CB 4.32Å; L115-L328 HydrophobicContact CD1-CD2 3.88Å; T252-L328 HydrophobicContact CG2-CD2 3.48Å; T252-L328 VanDerWaalsContact CG2-CD2 3.48Å; T252-L328 WeakPolarHBondContact OG1-CD2 3.5Å; V255-L328 HydrophobicContact CG1-CD1 4.36Å; V255-L328 HydrophobicContact CG1-CD2 4.36Å; F319-L328 HydrophobicContact CE1-CD1 3.72Å; F319-L328 HydrophobicContact CZ-CD1 4.08Å; L324-L328 HydrophobicContact CB-CB 3.99Å; L324-L328 HydrophobicContact CD2-CB 4.25Å; L324-L328 HydrophobicContact CD2-CD1 4.11Å; T325-L328 CarbonylContact O-C 3.6Å; T325-L328 WeakPolarHBondContact O-CA 3.36Å; T325-L328 PolarHBondContact O-N 3.48Å; R326-L328 PolarHBondContact O-N 3.37Å |
| 329 | G | 93 | Very high | 97.2 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 7.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | T325 R326 D327 | T325-G329 PolarHBondContact O-N 2.94Å; R326-G329 PolarHBondContact O-N 3.02Å; R326-G329 VanDerWaalsContact O-N 3.1Å; D327-G329 VanDerWaalsContact C-N 3.3Å |
| 330 | G | 95.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 24% | 0.237 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -99.8 | -157.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L324 T325 | L324-G330 CarbonylContact O-C 3.34Å; L324-G330 WeakPolarHBondContact O-CA 3.21Å; T325-G330 WeakPolarHBondContact O-CA 3.26Å; T325-G330 PolarHBondContact O-N 2.87Å |
| 331 | K | 97.1 | Very high | 97.3 | Very high | 202 Ų | 202 | 52.1 Ų | 52.1 | 88% | 0.878 | 31% | 0.308 | S | S | * | . | trans | -133.6 | -1.8 | -175.7 | -61.5 | -175.3 | -176.8 | 178.4 | 0 | 113.9 | L324 S333 | L324-K331 PolarHBondContact O-N 3.35Å; K331-S333 PolarHBondContact O-N 2.97Å | ||
| 332 | A | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -64.4 | 133.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I323 L324 T325 E336 | I323-A332 HydrophobicContact CG2-CB 4.05Å; L324-A332 VanDerWaalsContact O-CB 3.29Å; L324-A332 WeakPolarHBondContact O-CB 3.41Å; L324-A332 PolarHBondContact O-N 3Å; T325-A332 WeakPolarHBondContact CA-O 3.37Å; T325-A332 HydrophobicContact CG2-CB 4.43Å; A332-E336 HydrophobicContact CB-CB 4.23Å |
| 333 | S | 98.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 22% | 0.217 | 30% | 0.302 | C | S | . | . | trans | -68.3 | 168 | 162.9 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | G283 K331 A335 E336 M337 | G283-S333 CarbonylContact O-C 3.56Å; G283-S333 WeakPolarHBondContact O-CA 3.49Å; G283-S333 WeakPolarHBondContact O-CB 3.28Å; K331-S333 PolarHBondContact O-N 2.97Å; S333-A335 VanDerWaalsContact C-N 3.26Å; S333-A335 PolarHBondContact O-N 3.26Å; S333-E336 WeakPolarHBondContact CB-OE2 3.42Å; S333-E336 PolarHBondContact N-OE2 3.24Å; S333-E336 PolarHBondContact O-N 3.5Å; S333-E336 WeakPolarHBondContact OG-CB 3.32Å; S333-E336 VanDerWaalsContact OG-CD 3.27Å; S333-E336 WeakPolarHBondContact OG-CG 3.35Å; S333-E336 PolarHBondContact OG-N 3.04Å; S333-E336 PolarHBondContact OG-OE2 3.26Å; S333-M337 WeakPolarHBondContact O-CB 3.2Å; S333-M337 PolarHBondContact O-N 2.77Å | ||
| 334 | T | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.4 | -45.2 | 172.4 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | A20 G283 I284 A285 P287 T338 | A20-T334 HydrophobicContact CB-CG2 4.33Å; G283-T334 PolarHBondContact O-N 3.11Å; G283-T334 PolarHBondContact O-OG1 3.43Å; I284-T334 PolarHBondContact N-OG1 3Å; A285-T334 PolarHBondContact N-OG1 3.44Å; A285-T334 WeakPolarHBondContact O-CA 3.48Å; A285-T334 WeakPolarHBondContact O-CB 3.29Å; A285-T334 WeakPolarHBondContact O-CG2 3.48Å; A285-T334 PolarHBondContact O-OG1 2.96Å; P287-T334 HydrophobicContact CB-CG2 4.04Å; P287-T334 HydrophobicContact CG-CG2 4.07Å; T334-T338 WeakPolarHBondContact O-CB 3.42Å; T334-T338 PolarHBondContact O-N 3.14Å; T334-T338 PolarHBondContact O-OG1 3.23Å |
| 335 | A | 98.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | S333 T338 A339 | S333-A335 VanDerWaalsContact C-N 3.26Å; S333-A335 PolarHBondContact O-N 3.26Å; A335-T338 PolarHBondContact O-N 3.36Å; A335-A339 VanDerWaalsContact O-CB 3.32Å; A335-A339 WeakPolarHBondContact O-CB 3.45Å; A335-A339 PolarHBondContact O-N 2.91Å |
| 336 | E | 98.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 52.3 Ų | 52.3 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 177.3 | -73.8 | 164.3 | 141.4 | 0 | 0 | 112 | A332 S333 A340 | A332-E336 HydrophobicContact CB-CB 4.23Å; S333-E336 WeakPolarHBondContact CB-OE2 3.42Å; S333-E336 PolarHBondContact N-OE2 3.24Å; S333-E336 PolarHBondContact O-N 3.5Å; S333-E336 WeakPolarHBondContact OG-CB 3.32Å; S333-E336 VanDerWaalsContact OG-CD 3.27Å; S333-E336 WeakPolarHBondContact OG-CG 3.35Å; S333-E336 PolarHBondContact OG-N 3.04Å; S333-E336 PolarHBondContact OG-OE2 3.26Å; E336-A340 VanDerWaalsContact O-CB 3.29Å; E336-A340 WeakPolarHBondContact O-CB 3.45Å; E336-A340 PolarHBondContact O-N 3.07Å |
| 337 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.4 | 178.6 | 61.7 | 78.4 | 0 | 0 | 110.9 | P287 V288 T318 F319 I323 T325 S333 A340 I341 | P287-M337 HydrophobicContact CG-CB 4.14Å; P287-M337 HydrophobicContact CG-CG 3.84Å; V288-M337 HydrophobicContact CG2-CE 4.43Å; V288-M337 HydrophobicContact CG2-CG 4.02Å; V288-M337 HydrophobicContact CG2-SD 4.04Å; T318-M337 HydrophobicContact CG2-SD 3.72Å; F319-M337 HydrophobicContact CE1-CE 4.05Å; F319-M337 HydrophobicContact CE1-SD 4.43Å; I323-M337 VanDerWaalsContact O-CE 3.23Å; I323-M337 WeakPolarHBondContact O-CE 3.4Å; T325-M337 HydrophobicContact CG2-CB 3.92Å; T325-M337 HydrophobicContact CG2-CE 3.74Å; T325-M337 HydrophobicContact CG2-CG 4.17Å; S333-M337 WeakPolarHBondContact O-CB 3.2Å; S333-M337 PolarHBondContact O-N 2.77Å; M337-A340 PolarHBondContact O-N 2.8Å; M337-I341 HydrophobicContact CG-CD1 3.99Å; M337-I341 WeakPolarHBondContact O-CG1 3.48Å; M337-I341 PolarHBondContact O-N 2.75Å; M337-I341 HydrophobicContact SD-CD1 4Å; M337-I341 HydrophobicContact SD-CG1 4.39Å |
| 338 | T | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 179.4 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | A20 E23 V24 T334 A335 A340 I341 I342 | A20-T338 HydrophobicContact CB-CG2 3.97Å; A20-T338 WeakPolarHBondContact CB-OG1 3.23Å; E23-T338 HydrophobicContact CB-CG2 4.16Å; V24-T338 HydrophobicContact CG2-CG2 4.15Å; T334-T338 WeakPolarHBondContact O-CB 3.42Å; T334-T338 PolarHBondContact O-N 3.14Å; T334-T338 PolarHBondContact O-OG1 3.23Å; A335-T338 PolarHBondContact O-N 3.36Å; T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 3.44Å; T338-I341 PolarHBondContact O-N 2.75Å; T338-I342 HydrophobicContact CG2-CD1 4.02Å; T338-I342 WeakPolarHBondContact O-CG1 3.21Å; T338-I342 PolarHBondContact O-N 2.93Å |
| 339 | A | 98.8 | Very high | 98 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A335 I342 A343 | A335-A339 VanDerWaalsContact O-CB 3.32Å; A335-A339 WeakPolarHBondContact O-CB 3.45Å; A335-A339 PolarHBondContact O-N 2.91Å; A339-I342 PolarHBondContact O-N 3.1Å; A339-A343 WeakPolarHBondContact O-CB 3.38Å; A339-A343 PolarHBondContact O-N 2.95Å |
| 340 | A | 98.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T318 I323 E336 M337 T338 A343 N344 | T318-A340 HydrophobicContact CG2-CB 3.73Å; I323-A340 HydrophobicContact CD1-CB 3.61Å; I323-A340 HydrophobicContact CG2-CB 4.01Å; E336-A340 VanDerWaalsContact O-CB 3.29Å; E336-A340 WeakPolarHBondContact O-CB 3.45Å; E336-A340 PolarHBondContact O-N 3.07Å; M337-A340 PolarHBondContact O-N 2.8Å; T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 3.44Å; A340-A343 PolarHBondContact O-N 2.9Å; A340-N344 PolarHBondContact O-N 2.89Å; A340-N344 VanDerWaalsContact O-N 3.17Å; A340-N344 PolarHBondContact O-ND2 2.96Å; A340-N344 VanDerWaalsContact O-ND2 3.1Å |
| 341 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.5 | -67.9 | 164.2 | 0 | 0 | 0 | 109.8 | V24 V288 I291 A314 V315 T318 M337 T338 A343 N344 L345 | V24-I341 HydrophobicContact CG1-CG2 4.45Å; V24-I341 HydrophobicContact CG2-CG2 4.17Å; V288-I341 HydrophobicContact CG2-CD1 4.13Å; I291-I341 HydrophobicContact CD1-CD1 3.62Å; I291-I341 HydrophobicContact CG2-CG2 4.43Å; A314-I341 HydrophobicContact CB-CG2 4.01Å; A314-I341 WeakPolarHBondContact CB-O 3.29Å; V315-I341 HydrophobicContact CG2-CD1 3.97Å; V315-I341 HydrophobicContact CG2-CG1 4.27Å; V315-I341 HydrophobicContact CG2-CG2 4.24Å; T318-I341 HydrophobicContact CG2-CG1 4.11Å; M337-I341 HydrophobicContact CG-CD1 3.99Å; M337-I341 WeakPolarHBondContact O-CG1 3.48Å; M337-I341 PolarHBondContact O-N 2.75Å; M337-I341 HydrophobicContact SD-CD1 4Å; M337-I341 HydrophobicContact SD-CG1 4.39Å; T338-I341 PolarHBondContact O-N 2.75Å; I341-A343 VanDerWaalsContact C-N 3.29Å; I341-A343 PolarHBondContact O-N 3.33Å; I341-N344 PolarHBondContact O-N 3.35Å; I341-L345 PolarHBondContact O-N 3.49Å |
| 342 | I | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 177.8 | -69.2 | 171.3 | 0 | 0 | 0 | 111.7 | E23 V24 A27 T338 A339 N344 L345 | E23-I342 HydrophobicContact CB-CD1 4.03Å; V24-I342 HydrophobicContact CG2-CD1 4.37Å; V24-I342 HydrophobicContact CG2-CG1 3.91Å; A27-I342 HydrophobicContact CB-CG1 4.16Å; A27-I342 HydrophobicContact CB-CG2 3.92Å; T338-I342 HydrophobicContact CG2-CD1 4.02Å; T338-I342 WeakPolarHBondContact O-CG1 3.21Å; T338-I342 PolarHBondContact O-N 2.93Å; A339-I342 PolarHBondContact O-N 3.1Å; I342-N344 PolarHBondContact O-N 3.17Å; I342-L345 HydrophobicContact CG1-CD1 4.48Å; I342-L345 WeakPolarHBondContact O-CB 3.25Å; I342-L345 PolarHBondContact O-N 3.49Å |
| 343 | A | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 37.7 Ų | 37.7 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.5 | -23.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A339 A340 I341 | A339-A343 WeakPolarHBondContact O-CB 3.38Å; A339-A343 PolarHBondContact O-N 2.95Å; A340-A343 PolarHBondContact O-N 2.9Å; I341-A343 VanDerWaalsContact C-N 3.29Å; I341-A343 PolarHBondContact O-N 3.33Å |
| 344 | N | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -94.6 | -7 | 179.6 | -77.8 | -46.3 | 0 | 0 | 0 | 114.3 | A314 K317 T318 Q321 A340 I341 I342 | A314-N344 HydrophobicContact CB-CB 3.88Å; K317-N344 HydrophobicContact CB-CB 4.22Å; K317-N344 HydrophobicContact CD-CB 4.34Å; T318-N344 PolarHBondContact OG1-ND2 2.93Å; Q321-N344 PolarHBondContact NE2-OD1 3.29Å; Q321-N344 PolarHBondContact OE1-ND2 2.92Å; A340-N344 PolarHBondContact O-N 2.89Å; A340-N344 VanDerWaalsContact O-N 3.17Å; A340-N344 PolarHBondContact O-ND2 2.96Å; A340-N344 VanDerWaalsContact O-ND2 3.1Å; I341-N344 PolarHBondContact O-N 3.35Å; I342-N344 PolarHBondContact O-N 3.17Å |
| 345 | L | 97.2 | Very high | 98.6 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | trans | -61.8 | 0 | 174 | -70.1 | 175.4 | 0 | 0 | 0 | 112.5 | V24 A27 V28 K31 L310 I311 A314 I341 I342 | V24-L345 HydrophobicContact CG1-CD1 4.44Å; A27-L345 HydrophobicContact CB-CD1 3.54Å; V28-L345 HydrophobicContact CB-CD1 4.46Å; K31-L345 VanDerWaalsContact NZ-CB 3.29Å; K31-L345 PolarHBondContact NZ-O 3.49Å; K31-L345 PolarHBondContact NZ-OXT 3.09Å; L310-L345 HydrophobicContact CB-CD2 4.33Å; I311-L345 HydrophobicContact CG1-CD2 4.09Å; A314-L345 HydrophobicContact CB-CD2 3.8Å; A314-L345 HydrophobicContact CB-CG 4.22Å; I341-L345 PolarHBondContact O-N 3.49Å; I342-L345 HydrophobicContact CG1-CD1 4.48Å; I342-L345 WeakPolarHBondContact O-CB 3.25Å; I342-L345 PolarHBondContact O-N 3.49Å |
Retrieved 345 of 345 residues in 600.1 ms
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