| 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 | 43.9 | Very low | 81.6 | Confident | 244 Ų | 244 | 79.6 Ų | 79.6 | 100% | 1.202 | 51% | 0.514 | S | S | * | . | 0 | 104.4 | 0 | -73.7 | -178.7 | -122.6 | 0 | 0 | 108.7 | |||||
| 2 | E | 58.4 | Low | 82.9 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 32% | 0.318 | 51% | 0.511 | S | S | . | . | trans | -99.1 | 24.5 | 177.7 | -61.4 | -169.3 | 96.5 | 0 | 0 | 111.9 | G4 I5 V7 K31 N173 | E2-G4 PolarHBondContact O-N 3.34Å; E2-I5 PolarHBondContact O-N 2.63Å; E2-V7 HydrophobicContact CB-CG2 4.37Å; E2-V7 WeakPolarHBondContact OE2-CG2 3.31Å; E2-K31 WeakPolarHBondContact OE1-CE 3.49Å; E2-K31 IonicContact OE1-NZ 3.59Å; E2-K31 PolarHBondContact OE1-NZ 2.87Å; E2-K31 VanDerWaalsContact OE2-CE 3.26Å; E2-K31 WeakPolarHBondContact OE2-CE 3.13Å; E2-K31 IonicContact OE2-NZ 2.71Å; E2-K31 PolarHBondContact OE2-NZ 3.16Å; E2-N173 PolarHBondContact OE1-ND2 3.22Å | ||
| 3 | G | 62.5 | Low | 83.9 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 95% | 0.948 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -3.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 4 | G | 80.8 | Confident | 84.8 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 78% | 0.784 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -0.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E2 | E2-G4 PolarHBondContact O-N 3.34Š|
| 5 | I | 84.9 | Confident | 85.5 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -117 | 118.6 | -178.2 | -57.2 | 176.8 | 0 | 0 | 0 | 108.5 | E2 V7 | E2-I5 PolarHBondContact O-N 2.63Å; I5-V7 WeakPolarHBondContact O-CG2 3.4Å; I5-V7 PolarHBondContact O-N 3Å |
| 6 | P | 90.6 | Very high | 86.3 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | trans | -58.8 | 137.2 | 175.1 | -20.8 | 30.7 | 0 | 0 | 0 | 111.4 | M172 N173 | P6-M172 HydrophobicContact CB-CE 4.15Å; P6-M172 HydrophobicContact CB-CG 4.12Å; P6-N173 PolarHBondContact O-N 3.4Å; P6-N173 VanDerWaalsContact O-N 3.13Å | ||
| 7 | V | 93.3 | Very high | 86.9 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 34% | 0.339 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.4 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | E2 I5 V9 N173 V175 | E2-V7 HydrophobicContact CB-CG2 4.37Å; E2-V7 WeakPolarHBondContact OE2-CG2 3.31Å; I5-V7 WeakPolarHBondContact O-CG2 3.4Å; I5-V7 PolarHBondContact O-N 3Å; V7-V9 HydrophobicContact CG1-CG2 4.34Å; V7-N173 WeakPolarHBondContact CA-O 3.34Å; V7-N173 HydrophobicContact CG2-CB 4.34Å; V7-V175 HydrophobicContact CG1-CB 4.28Å; V7-V175 HydrophobicContact CG1-CG2 3.56Å |
| 8 | L | 94.6 | Very high | 87.4 | Confident | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.199 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.5 | 167.1 | 178.4 | 68.9 | 0 | 0 | 0 | 108.7 | V10 M15 I168 M172 N173 V174 V175 | L8-V10 HydrophobicContact CD2-CG2 3.69Å; L8-V10 HydrophobicContact CG-CG2 3.66Å; L8-M15 HydrophobicContact CD2-CE 3.6Å; L8-I168 HydrophobicContact CD2-CD1 3.52Å; L8-I168 HydrophobicContact CD2-CG1 3.87Å; L8-M172 HydrophobicContact CB-CE 4.36Å; L8-N173 PolarHBondContact N-O 2.81Å; L8-V174 CarbonylContact O-C 3.53Å; L8-V174 VanDerWaalsContact O-CA 3.31Å; L8-V174 WeakPolarHBondContact O-CA 3.42Å; L8-V175 PolarHBondContact O-N 3.47Å |
| 9 | V | 95.6 | Very high | 87.9 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.9 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | V7 V175 D177 | V7-V9 HydrophobicContact CG1-CG2 4.34Å; V9-V175 WeakPolarHBondContact CA-O 3.46Å; V9-V175 HydrophobicContact CG1-CB 4.45Å; V9-V175 HydrophobicContact CG1-CG1 4.23Å; V9-V175 HydrophobicContact CG2-CB 4.16Å; V9-D177 HydrophobicContact CG1-CB 3.89Å |
| 10 | V | 96.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.8 | -174 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | L8 D12 M15 L16 I19 V174 V175 D177 | L8-V10 HydrophobicContact CD2-CG2 3.69Å; L8-V10 HydrophobicContact CG-CG2 3.66Å; V10-D12 HydrophobicContact CG1-CB 4.49Å; V10-M15 HydrophobicContact CG1-CB 3.91Å; V10-M15 HydrophobicContact CG1-CG 3.95Å; V10-M15 HydrophobicContact CG1-SD 3.7Å; V10-M15 HydrophobicContact CG2-CE 4.45Å; V10-M15 HydrophobicContact CG2-SD 4.07Å; V10-L16 HydrophobicContact CB-CD2 3.98Å; V10-L16 HydrophobicContact CB-CG 4.43Å; V10-L16 HydrophobicContact CG1-CD2 3.88Å; V10-L16 HydrophobicContact CG1-CG 3.84Å; V10-I19 HydrophobicContact CG1-CD1 4.43Å; V10-I19 HydrophobicContact CG2-CD1 4.08Å; V10-V174 HydrophobicContact CG2-CG1 3.95Å; V10-V175 PolarHBondContact N-O 3.13Å; V10-D177 PolarHBondContact O-N 3.42Å |
| 11 | S | 96.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | trans | -117.9 | -10.7 | 168.7 | 52.8 | 0 | 0 | 0 | 0 | 113 | L13 | S11-L13 PolarHBondContact O-N 3.18Š| ||
| 12 | D | 96.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | trans | -64.8 | 123.6 | 175.3 | 178.3 | -97.8 | 0 | 0 | 0 | 111.3 | V10 E14 M15 L16 | V10-D12 HydrophobicContact CG1-CB 4.49Å; D12-E14 PolarHBondContact O-N 3.45Å; D12-E14 PolarHBondContact OD1-N 2.82Å; D12-M15 HydrophobicContact CB-CB 4.08Å; D12-M15 PolarHBondContact O-N 3.2Å; D12-M15 VanDerWaalsContact OD1-CB 3.29Å; D12-M15 WeakPolarHBondContact OD1-CB 3.5Å; D12-M15 PolarHBondContact OD1-N 3.16Å; D12-L16 WeakPolarHBondContact O-CB 3.4Å; D12-L16 VanDerWaalsContact O-CG 3.23Å; D12-L16 WeakPolarHBondContact O-CG 3.42Å; D12-L16 PolarHBondContact O-N 2.9Å | ||
| 13 | L | 96.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.7 | -32.9 | -169.5 | -64.3 | 178.5 | 0 | 0 | 0 | 113.1 | S11 S17 I181 I187 H205 L207 | S11-L13 PolarHBondContact O-N 3.18Å; L13-S17 WeakPolarHBondContact O-CB 3.27Å; L13-S17 PolarHBondContact O-N 3.11Å; L13-I181 HydrophobicContact CD2-CD1 4.42Å; L13-I181 HydrophobicContact CD2-CG1 4.29Å; L13-I181 HydrophobicContact CD2-CG2 3.78Å; L13-I187 HydrophobicContact CD1-CD1 3.77Å; L13-I187 HydrophobicContact CD1-CG1 4.48Å; L13-I187 HydrophobicContact CD2-CD1 4.48Å; L13-I187 HydrophobicContact CG-CD1 4.31Å; L13-H205 HydrophobicContact CD1-CB 3.66Å; L13-L207 HydrophobicContact CD2-CB 4.09Å |
| 14 | E | 95.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.1 | -43.6 | 178.3 | -73.7 | -58.4 | 153.3 | 0 | 0 | 111.3 | D12 L16 S17 D18 K22 H205 | D12-E14 PolarHBondContact O-N 3.45Å; D12-E14 PolarHBondContact OD1-N 2.82Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.43Å; E14-S17 VanDerWaalsContact O-CB 3.3Å; E14-S17 WeakPolarHBondContact O-CB 3.44Å; E14-S17 PolarHBondContact O-N 2.96Å; E14-S17 VanDerWaalsContact O-N 3.11Å; E14-D18 PolarHBondContact O-N 3.01Å; E14-K22 IonicContact OE2-NZ 2.77Å; E14-H205 IonicContact OE1-NE2 3.51Å |
| 15 | M | 96.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 173.8 | -165.3 | -179.7 | -171 | 0 | 0 | 111 | L8 V10 D12 D18 I19 T163 F166 I168 | L8-M15 HydrophobicContact CD2-CE 3.6Å; V10-M15 HydrophobicContact CG1-CB 3.91Å; V10-M15 HydrophobicContact CG1-CG 3.95Å; V10-M15 HydrophobicContact CG1-SD 3.7Å; V10-M15 HydrophobicContact CG2-CE 4.45Å; V10-M15 HydrophobicContact CG2-SD 4.07Å; D12-M15 HydrophobicContact CB-CB 4.08Å; D12-M15 PolarHBondContact O-N 3.2Å; D12-M15 VanDerWaalsContact OD1-CB 3.29Å; D12-M15 WeakPolarHBondContact OD1-CB 3.5Å; D12-M15 PolarHBondContact OD1-N 3.16Å; M15-D18 WeakPolarHBondContact O-CB 3.28Å; M15-D18 PolarHBondContact O-N 3.14Å; M15-I19 HydrophobicContact CE-CD1 4.45Å; M15-I19 HydrophobicContact CG-CD1 3.87Å; M15-I19 WeakPolarHBondContact O-CB 3.33Å; M15-I19 WeakPolarHBondContact O-CD1 3.47Å; M15-I19 VanDerWaalsContact O-CG1 3.24Å; M15-I19 WeakPolarHBondContact O-CG1 3.38Å; M15-I19 PolarHBondContact O-N 3.43Å; M15-T163 HydrophobicContact CE-CG2 3.83Å; M15-T163 HydrophobicContact CG-CG2 4.1Å; M15-F166 HydrophobicContact CE-CB 4.06Å; M15-F166 HydrophobicContact CE-CD2 3.73Å; M15-F166 HydrophobicContact CE-CG 4.24Å; M15-F166 HydrophobicContact SD-CD2 4.28Å; M15-I168 HydrophobicContact CE-CD1 4.02Å |
| 16 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 173.2 | -72.4 | 174.5 | 0 | 0 | 0 | 113.2 | V10 D12 E14 D18 I19 L20 V176 I181 L207 | V10-L16 HydrophobicContact CB-CD2 3.98Å; V10-L16 HydrophobicContact CB-CG 4.43Å; V10-L16 HydrophobicContact CG1-CD2 3.88Å; V10-L16 HydrophobicContact CG1-CG 3.84Å; D12-L16 WeakPolarHBondContact O-CB 3.4Å; D12-L16 VanDerWaalsContact O-CG 3.23Å; D12-L16 WeakPolarHBondContact O-CG 3.42Å; D12-L16 PolarHBondContact O-N 2.9Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.43Å; L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 2.82Å; L16-I19 PolarHBondContact O-N 3.47Å; L16-L20 HydrophobicContact CB-CD1 4.4Å; L16-L20 HydrophobicContact CD2-CD1 4.38Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.1Å; L16-L20 PolarHBondContact O-N 2.73Å; L16-V176 HydrophobicContact CD1-CG1 4.09Å; L16-V176 HydrophobicContact CD2-CB 4.18Å; L16-V176 HydrophobicContact CD2-CG1 3.72Å; L16-V176 HydrophobicContact CD2-CG2 3.75Å; L16-I181 HydrophobicContact CD1-CD1 3.28Å; L16-I181 HydrophobicContact CD1-CG1 4.36Å; L16-L207 HydrophobicContact CB-CD1 4.05Å |
| 17 | S | 97.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 172.5 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | L13 E14 I21 K22 | L13-S17 WeakPolarHBondContact O-CB 3.27Å; L13-S17 PolarHBondContact O-N 3.11Å; E14-S17 VanDerWaalsContact O-CB 3.3Å; E14-S17 WeakPolarHBondContact O-CB 3.44Å; E14-S17 PolarHBondContact O-N 2.96Å; E14-S17 VanDerWaalsContact O-N 3.11Å; S17-I21 WeakPolarHBondContact O-CA 3.44Å; S17-I21 VanDerWaalsContact O-CB 3.27Å; S17-I21 WeakPolarHBondContact O-CB 3.36Å; S17-I21 PolarHBondContact O-N 2.87Å; S17-K22 PolarHBondContact O-N 2.96Å; S17-K22 VanDerWaalsContact OG-CE 3.32Å; S17-K22 WeakPolarHBondContact OG-CE 3.31Å |
| 18 | D | 96.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -61.6 | -51 | 173.5 | -87.5 | 29.4 | 0 | 0 | 0 | 112.1 | E14 M15 L16 K22 K23 T163 | E14-D18 PolarHBondContact O-N 3.01Å; M15-D18 WeakPolarHBondContact O-CB 3.28Å; M15-D18 PolarHBondContact O-N 3.14Å; L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 2.82Å; D18-K22 PolarHBondContact O-N 3.4Å; D18-K22 VanDerWaalsContact OD1-CD 3.24Å; D18-K22 WeakPolarHBondContact OD1-CD 3.5Å; D18-K22 WeakPolarHBondContact OD1-CE 3.47Å; D18-K22 IonicContact OD1-NZ 3.51Å; D18-K22 PolarHBondContact OD1-NZ 2.91Å; D18-K23 WeakPolarHBondContact O-CA 3.29Å; D18-K23 WeakPolarHBondContact O-CB 2.9Å; D18-K23 PolarHBondContact O-N 3.18Å; D18-K23 WeakPolarHBondContact OD2-CE 3.31Å; D18-K23 IonicContact OD2-NZ 2.73Å; D18-K23 PolarHBondContact OD2-NZ 3.37Å; D18-T163 WeakPolarHBondContact CB-OG1 3.28Å; D18-T163 PolarHBondContact OD2-OG1 2.94Å |
| 19 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -67.2 | -46.8 | -175 | -70.3 | 160.5 | 0 | 0 | 0 | 112.2 | V10 M15 L16 F27 R155 T163 I168 V174 | V10-I19 HydrophobicContact CG1-CD1 4.43Å; V10-I19 HydrophobicContact CG2-CD1 4.08Å; M15-I19 HydrophobicContact CE-CD1 4.45Å; M15-I19 HydrophobicContact CG-CD1 3.87Å; M15-I19 WeakPolarHBondContact O-CB 3.33Å; M15-I19 WeakPolarHBondContact O-CD1 3.47Å; M15-I19 VanDerWaalsContact O-CG1 3.24Å; M15-I19 WeakPolarHBondContact O-CG1 3.38Å; M15-I19 PolarHBondContact O-N 3.43Å; L16-I19 PolarHBondContact O-N 3.47Å; I19-F27 HydrophobicContact CB-CD2 4.15Å; I19-F27 HydrophobicContact CB-CE2 4.27Å; I19-F27 HydrophobicContact CG1-CD2 4.27Å; I19-F27 HydrophobicContact CG1-CE2 3.88Å; I19-F27 HydrophobicContact CG1-CZ 4.02Å; I19-F27 HydrophobicContact CG2-CB 4.15Å; I19-F27 HydrophobicContact CG2-CD1 4.12Å; I19-F27 HydrophobicContact CG2-CD2 3.95Å; I19-F27 HydrophobicContact CG2-CE2 4.37Å; I19-F27 HydrophobicContact CG2-CG 3.8Å; I19-F27 WeakPolarHBondContact O-CB 3.42Å; I19-F27 WeakPolarHBondContact O-CD2 3.2Å; I19-R155 HydrophobicContact CG2-CG 4.49Å; I19-T163 HydrophobicContact CD1-CG2 4.28Å; I19-T163 HydrophobicContact CG1-CG2 4.01Å; I19-I168 HydrophobicContact CD1-CD1 4.29Å; I19-V174 HydrophobicContact CD1-CG1 4.06Å; I19-V174 HydrophobicContact CG2-CG1 4.31Å |
| 20 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -85.5 | -26.4 | -171 | -62 | 178.7 | 0 | 0 | 0 | 113.1 | L16 V153 R155 V176 A214 P216 | L16-L20 HydrophobicContact CB-CD1 4.4Å; L16-L20 HydrophobicContact CD2-CD1 4.38Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.1Å; L16-L20 PolarHBondContact O-N 2.73Å; L20-V153 HydrophobicContact CD1-CG1 4.36Å; L20-V153 HydrophobicContact CD2-CG1 4.45Å; L20-R155 HydrophobicContact CD2-CG 4.12Å; L20-V176 HydrophobicContact CD1-CG1 4.48Å; L20-V176 HydrophobicContact CD2-CG2 4.14Å; L20-A214 HydrophobicContact CB-CB 4.42Å; L20-A214 HydrophobicContact CD1-CB 4.04Å; L20-P216 WeakPolarHBondContact O-CD 3.45Å |
| 21 | I | 97.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -122.3 | -68.7 | -171 | -51.6 | 173.1 | 0 | 0 | 0 | 110.8 | S17 F24 L207 | S17-I21 WeakPolarHBondContact O-CA 3.44Å; S17-I21 VanDerWaalsContact O-CB 3.27Å; S17-I21 WeakPolarHBondContact O-CB 3.36Å; S17-I21 PolarHBondContact O-N 2.87Å; I21-F24 WeakPolarHBondContact O-CB 3.46Å; I21-F24 PolarHBondContact O-N 3.31Å; I21-L207 HydrophobicContact CD1-CD2 4.22Å |
| 22 | K | 96.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -69.6 | -42 | -164.8 | -49.3 | -174.8 | -155.9 | 143.4 | 0 | 112.5 | E14 S17 D18 | E14-K22 IonicContact OE2-NZ 2.77Å; S17-K22 PolarHBondContact O-N 2.96Å; S17-K22 VanDerWaalsContact OG-CE 3.32Å; S17-K22 WeakPolarHBondContact OG-CE 3.31Å; D18-K22 PolarHBondContact O-N 3.4Å; D18-K22 VanDerWaalsContact OD1-CD 3.24Å; D18-K22 WeakPolarHBondContact OD1-CD 3.5Å; D18-K22 WeakPolarHBondContact OD1-CE 3.47Å; D18-K22 IonicContact OD1-NZ 3.51Å; D18-K22 PolarHBondContact OD1-NZ 2.91Å |
| 23 | K | 96.4 | Very high | 93 | Very high | 66 Ų | 66 | 40 Ų | 40 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 31.4 | -179.8 | -57.8 | 179 | -179 | 146.4 | 0 | 111.6 | D18 N25 C26 F27 T162 | D18-K23 WeakPolarHBondContact O-CA 3.29Å; D18-K23 WeakPolarHBondContact O-CB 2.9Å; D18-K23 PolarHBondContact O-N 3.18Å; D18-K23 WeakPolarHBondContact OD2-CE 3.31Å; D18-K23 IonicContact OD2-NZ 2.73Å; D18-K23 PolarHBondContact OD2-NZ 3.37Å; K23-N25 PolarHBondContact O-N 3.41Å; K23-C26 WeakPolarHBondContact O-CB 3.47Å; K23-C26 PolarHBondContact O-N 3.34Å; K23-F27 HydrophobicContact CB-CD2 4.35Å; K23-F27 HydrophobicContact CB-CE2 4.23Å; K23-F27 WeakPolarHBondContact O-CD2 3.41Å; K23-F27 PolarHBondContact O-N 3.34Å; K23-T162 PolarHBondContact NZ-O 3.13Å |
| 24 | F | 95.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -35 | -178.4 | 175.3 | -104.1 | 0 | 0 | 0 | 113.8 | I21 C26 F27 H28 W47 P216 R217 | I21-F24 WeakPolarHBondContact O-CB 3.46Å; I21-F24 PolarHBondContact O-N 3.31Å; F24-C26 PolarHBondContact O-N 3.01Å; F24-F27 CarbonylContact O-C 3.59Å; F24-F27 VanDerWaalsContact O-C 3.29Å; F24-F27 PolarHBondContact O-N 3.12Å; F24-H28 HydrophobicContact CD1-CB 4.43Å; F24-H28 HydrophobicContact CE1-CB 3.88Å; F24-H28 HydrophobicContact CE2-CB 4.18Å; F24-H28 HydrophobicContact CZ-CB 3.74Å; F24-H28 WeakPolarHBondContact O-CA 3.36Å; F24-H28 WeakPolarHBondContact O-CB 3.44Å; F24-H28 PolarHBondContact O-N 3.25Å; F24-W47 HydrophobicContact CE1-CE3 4.25Å; F24-W47 HydrophobicContact CE1-CH2 4.38Å; F24-W47 AromaticContact CE1-CZ3 3.69Å; F24-W47 HydrophobicContact CE1-CZ3 3.69Å; F24-W47 AromaticContact CZ-CE3 3.97Å; F24-W47 HydrophobicContact CZ-CE3 3.97Å; F24-W47 AromaticContact CZ-CH2 3.92Å; F24-W47 HydrophobicContact CZ-CH2 3.92Å; F24-W47 AromaticContact CZ-CZ3 3.51Å; F24-W47 HydrophobicContact CZ-CZ3 3.51Å; F24-P216 HydrophobicContact CB-CG 4.2Å; F24-P216 HydrophobicContact CD1-CB 4.13Å; F24-P216 HydrophobicContact CD1-CG 3.89Å; F24-P216 HydrophobicContact CD2-CB 4.12Å; F24-P216 HydrophobicContact CD2-CG 3.9Å; F24-P216 HydrophobicContact CE1-CB 3.96Å; F24-P216 HydrophobicContact CE1-CG 4.25Å; F24-P216 HydrophobicContact CE2-CB 3.97Å; F24-P216 HydrophobicContact CE2-CG 4.28Å; F24-P216 HydrophobicContact CG-CB 4.2Å; F24-P216 HydrophobicContact CG-CG 3.69Å; F24-P216 HydrophobicContact CZ-CB 3.88Å; F24-P216 HydrophobicContact CZ-CG 4.43Å; F24-R217 HydrophobicContact CE2-CB 4.42Å; F24-R217 HydrophobicContact CE2-CG 3.49Å; F24-R217 VanDerWaalsContact CE2-CG 3.49Å; F24-R217 HydrophobicContact CZ-CG 3.91Å |
| 25 | N | 94.9 | Very high | 90.4 | Very high | 128 Ų | 128 | 44.8 Ų | 44.8 | 68% | 0.684 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -29.8 | 178.4 | -69.6 | -26.3 | 0 | 0 | 0 | 113 | K23 H28 | K23-N25 PolarHBondContact O-N 3.41Å; N25-H28 PolarHBondContact O-CD2 3.21Å |
| 26 | C | 95.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.8 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | K23 F24 C157 M158 C161 | K23-C26 WeakPolarHBondContact O-CB 3.47Å; K23-C26 PolarHBondContact O-N 3.34Å; F24-C26 PolarHBondContact O-N 3.01Å; C26-C157 CarbonylContact O-C 3.55Å; C26-M158 WeakPolarHBondContact O-CB 3.25Å; C26-M158 PolarHBondContact O-N 2.87Å; C26-C161 HydrophobicContact CB-CB 4.05Å; C26-C161 VanDerWaalsContact CB-SG 3.55Å |
| 27 | F | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -119.4 | 30.2 | -172.2 | -57.7 | -75.4 | 0 | 0 | 0 | 113.1 | I19 K23 F24 A29 R155 C157 C161 I168 V174 | I19-F27 HydrophobicContact CB-CD2 4.15Å; I19-F27 HydrophobicContact CB-CE2 4.27Å; I19-F27 HydrophobicContact CG1-CD2 4.27Å; I19-F27 HydrophobicContact CG1-CE2 3.88Å; I19-F27 HydrophobicContact CG1-CZ 4.02Å; I19-F27 HydrophobicContact CG2-CB 4.15Å; I19-F27 HydrophobicContact CG2-CD1 4.12Å; I19-F27 HydrophobicContact CG2-CD2 3.95Å; I19-F27 HydrophobicContact CG2-CE2 4.37Å; I19-F27 HydrophobicContact CG2-CG 3.8Å; I19-F27 WeakPolarHBondContact O-CB 3.42Å; I19-F27 WeakPolarHBondContact O-CD2 3.2Å; K23-F27 HydrophobicContact CB-CD2 4.35Å; K23-F27 HydrophobicContact CB-CE2 4.23Å; K23-F27 WeakPolarHBondContact O-CD2 3.41Å; K23-F27 PolarHBondContact O-N 3.34Å; F24-F27 CarbonylContact O-C 3.59Å; F24-F27 VanDerWaalsContact O-C 3.29Å; F24-F27 PolarHBondContact O-N 3.12Å; F27-A29 VanDerWaalsContact C-N 3.25Å; F27-A29 PolarHBondContact O-N 3.45Å; F27-R155 HydrophobicContact CB-CB 4.11Å; F27-R155 HydrophobicContact CB-CG 4.21Å; F27-R155 WeakPolarHBondContact O-CD 3.32Å; F27-C157 HydrophobicContact CD1-CB 4.2Å; F27-C157 HydrophobicContact CE1-CB 3.86Å; F27-C161 WeakPolarHBondContact CE2-SG 3.44Å; F27-C161 WeakPolarHBondContact CZ-SG 3.37Å; F27-I168 HydrophobicContact CE1-CB 4.47Å; F27-I168 HydrophobicContact CE1-CD1 4.11Å; F27-I168 HydrophobicContact CE1-CG2 4.12Å; F27-I168 HydrophobicContact CZ-CB 4.41Å; F27-I168 HydrophobicContact CZ-CD1 3.79Å; F27-V174 HydrophobicContact CD1-CG2 4.19Å; F27-V174 HydrophobicContact CE1-CG2 3.91Å |
| 28 | H | 93.3 | Very high | 88 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | trans | -74.2 | -15.1 | -170.6 | 63.8 | 55.4 | 0 | 0 | 0 | 113.1 | F24 N25 G44 R217 | F24-H28 HydrophobicContact CD1-CB 4.43Å; F24-H28 HydrophobicContact CE1-CB 3.88Å; F24-H28 HydrophobicContact CE2-CB 4.18Å; F24-H28 HydrophobicContact CZ-CB 3.74Å; F24-H28 WeakPolarHBondContact O-CA 3.36Å; F24-H28 WeakPolarHBondContact O-CB 3.44Å; F24-H28 PolarHBondContact O-N 3.25Å; N25-H28 PolarHBondContact O-CD2 3.21Å; H28-G44 PolarHBondContact CE1-N 2.99Å; H28-G44 PolarHBondContact ND1-N 2.88Å; H28-R217 PolarHBondContact O-NE 3.33Å; H28-R217 PolarHBondContact O-NH2 3.21Å | ||
| 29 | A | 93 | Very high | 87.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 153.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F27 N43 R155 R156 M158 | F27-A29 VanDerWaalsContact C-N 3.25Å; F27-A29 PolarHBondContact O-N 3.45Å; A29-N43 HydrophobicContact CB-CB 3.91Å; A29-R155 WeakPolarHBondContact O-CA 3.46Å; A29-R155 WeakPolarHBondContact O-CD 3.21Å; A29-R156 HydrophobicContact CB-CB 4.43Å; A29-R156 PolarHBondContact O-N 2.95Å; A29-M158 HydrophobicContact CB-CE 4.37Å; A29-M158 HydrophobicContact CB-CG 3.7Å; A29-M158 HydrophobicContact CB-SD 3.43Å; A29-M158 WeakPolarHBondContact CB-SD 3.41Å |
| 30 | R | 90.6 | Very high | 87.3 | Confident | 36 Ų | 36 | 61 Ų | 61 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 158.1 | 168.2 | -65 | -66.2 | -170.8 | -160.7 | -0.8 | 110.2 | G32 G33 V152 | R30-G32 PolarHBondContact O-N 3.46Å; R30-G33 PolarHBondContact O-N 2.94Å; R30-V152 PolarHBondContact NH1-O 3.38Å |
| 31 | K | 84.2 | Confident | 86.9 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | 133.4 | 166.8 | -172.3 | 176 | -178.5 | 171.2 | 0 | 110.3 | E2 G33 N154 N173 | E2-K31 WeakPolarHBondContact OE1-CE 3.49Å; E2-K31 IonicContact OE1-NZ 3.59Å; E2-K31 PolarHBondContact OE1-NZ 2.87Å; E2-K31 VanDerWaalsContact OE2-CE 3.26Å; E2-K31 WeakPolarHBondContact OE2-CE 3.13Å; E2-K31 IonicContact OE2-NZ 2.71Å; E2-K31 PolarHBondContact OE2-NZ 3.16Å; K31-G33 VanDerWaalsContact C-N 3.34Å; K31-G33 PolarHBondContact O-N 2.83Å; K31-N154 HydrophobicContact CB-CB 3.95Å; K31-N154 HydrophobicContact CD-CB 4.14Å; K31-N173 HydrophobicContact CG-CB 4.2Å |
| 32 | G | 78.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -17.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R30 S34 N173 | R30-G32 PolarHBondContact O-N 3.46Å; G32-S34 VanDerWaalsContact C-N 3.31Å; G32-S34 PolarHBondContact O-N 3.35Å; G32-N173 PolarHBondContact N-OD1 3.29Å |
| 33 | G | 69.1 | Low | 86.5 | Confident | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | trans | 70.6 | 14.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R30 K31 R156 | R30-G33 PolarHBondContact O-N 2.94Å; K31-G33 VanDerWaalsContact C-N 3.34Å; K31-G33 PolarHBondContact O-N 2.83Å; G33-R156 VanDerWaalsContact CA-CD 3.5Å | ||
| 34 | S | 67.9 | Low | 86.2 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | trans | -62.9 | 143.7 | -175.3 | 84 | 0 | 0 | 0 | 0 | 112.3 | G32 G36 N43 | G32-S34 VanDerWaalsContact C-N 3.31Å; G32-S34 PolarHBondContact O-N 3.35Å; S34-G36 PolarHBondContact O-N 3.19Å; S34-N43 PolarHBondContact O-ND2 2.99Å | ||
| 35 | K | 68 | Low | 86.1 | Confident | 173 Ų | 173 | 58.9 Ų | 58.9 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | trans | -90.6 | 55.5 | 172.8 | -69.7 | -177 | -179.8 | 177 | 0 | 110.1 | ||||
| 36 | G | 74.3 | Confident | 85.9 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -61.5 | 156.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S34 A42 | S34-G36 PolarHBondContact O-N 3.19Å; G36-A42 WeakPolarHBondContact O-CA 3.21Å | ||
| 37 | I | 78.4 | Confident | 85.9 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 60% | 0.595 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.1 | -37.4 | -178.3 | -61.9 | 175.3 | 0 | 0 | 0 | 111.2 | L50 | I37-L50 WeakPolarHBondContact O-CD1 3.49Š|
| 38 | H | 87.8 | Confident | 85.8 | Confident | 145 Ų | 145 | 65.3 Ų | 65.3 | 67% | 0.671 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -84 | 153.9 | -177.7 | -54.7 | -66.3 | 0 | 0 | 0 | 112.5 | F40 L41 A42 | H38-F40 PolarHBondContact O-N 2.91Å; H38-L41 PolarHBondContact O-N 3.21Å; H38-L41 VanDerWaalsContact O-N 3.15Å; H38-A42 WeakPolarHBondContact O-CB 3.43Å; H38-A42 PolarHBondContact O-N 3.05Å |
| 39 | M | 89.6 | Confident | 85.9 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -35.4 | -174.5 | -178.8 | 177.1 | 57.9 | 0 | 0 | 113.4 | W47 L50 R51 I220 | M39-W47 VanDerWaalsContact O-CD1 3.27Å; M39-L50 HydrophobicContact CB-CB 4.03Å; M39-L50 HydrophobicContact CB-CD1 4.49Å; M39-L50 HydrophobicContact CG-CB 4.19Å; M39-R51 HydrophobicContact SD-CB 4.17Å; M39-I220 HydrophobicContact CE-CD1 4.12Å; M39-I220 HydrophobicContact CE-CG2 4.09Å; M39-I220 HydrophobicContact SD-CD1 4.16Å |
| 40 | F | 89.5 | Confident | 86 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -47.4 | -178.1 | -176.9 | -96.3 | 0 | 0 | 0 | 113.1 | H38 V152 R217 M258 | H38-F40 PolarHBondContact O-N 2.91Å; F40-V152 HydrophobicContact CE2-CB 4.46Å; F40-V152 HydrophobicContact CE2-CG1 3.45Å; F40-V152 VanDerWaalsContact CE2-CG1 3.45Å; F40-V152 HydrophobicContact CE2-CG2 4.16Å; F40-V152 HydrophobicContact CZ-CB 4.41Å; F40-V152 HydrophobicContact CZ-CG1 3.72Å; F40-V152 HydrophobicContact CZ-CG2 3.96Å; F40-R217 PolarHBondContact O-NH1 2.78Å; F40-M258 HydrophobicContact CE1-CE 4.32Å; F40-M258 HydrophobicContact CE1-SD 3.96Å; F40-M258 HydrophobicContact CZ-SD 3.75Å |
| 41 | L | 89.6 | Confident | 86.2 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -23.1 | -176.3 | -67.6 | -179.5 | 0 | 0 | 0 | 113.2 | H38 | H38-L41 PolarHBondContact O-N 3.21Å; H38-L41 VanDerWaalsContact O-N 3.15Å |
| 42 | A | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -54.3 | 153.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G36 H38 R46 W47 L50 R217 | G36-A42 WeakPolarHBondContact O-CA 3.21Å; H38-A42 WeakPolarHBondContact O-CB 3.43Å; H38-A42 PolarHBondContact O-N 3.05Å; A42-R46 HydrophobicContact CB-CG 4.23Å; A42-W47 HydrophobicContact CB-CB 4.05Å; A42-W47 WeakPolarHBondContact O-CB 3.47Å; A42-L50 HydrophobicContact CB-CD1 3.73Å; A42-R217 VanDerWaalsContact O-CZ 3.3Å; A42-R217 PolarHBondContact O-NH1 2.89Å; A42-R217 PolarHBondContact O-NH2 3.32Å | ||
| 43 | N | 91.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | trans | -137.4 | 167.3 | 179.2 | 64.9 | 53.8 | 0 | 0 | 0 | 112.6 | A29 S34 R46 W47 | A29-N43 HydrophobicContact CB-CB 3.91Å; S34-N43 PolarHBondContact O-ND2 2.99Å; N43-R46 PolarHBondContact O-N 3.36Å; N43-W47 PolarHBondContact O-N 2.67Å | ||
| 44 | G | 91.2 | Very high | 88.8 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | 52.3 | -137.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H28 R46 W47 K48 | H28-G44 PolarHBondContact CE1-N 2.99Å; H28-G44 PolarHBondContact ND1-N 2.88Å; G44-R46 VanDerWaalsContact C-N 3.29Å; G44-R46 PolarHBondContact O-N 2.89Å; G44-W47 PolarHBondContact O-N 2.92Å; G44-K48 PolarHBondContact O-N 3.24Å; G44-K48 VanDerWaalsContact O-N 3.13Å |
| 45 | L | 91.9 | Very high | 90.1 | Very high | 130 Ų | 130 | 80 Ų | 80 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.5 | -34.9 | -178.2 | -67.5 | 176.2 | 0 | 0 | 0 | 113.4 | K48 R49 | L45-K48 PolarHBondContact O-N 2.92Å; L45-R49 WeakPolarHBondContact O-CG 3.23Å; L45-R49 PolarHBondContact O-N 2.73Å |
| 46 | R | 92.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 75.5 Ų | 75.5 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 178.3 | -174.7 | 179.7 | -174 | 158.7 | 10.4 | 110.9 | A42 N43 G44 K48 R49 L50 | A42-R46 HydrophobicContact CB-CG 4.23Å; N43-R46 PolarHBondContact O-N 3.36Å; G44-R46 VanDerWaalsContact C-N 3.29Å; G44-R46 PolarHBondContact O-N 2.89Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 3.37Å; R46-R49 PolarHBondContact O-N 3.02Å; R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 WeakPolarHBondContact O-CG 3.29Å; R46-L50 PolarHBondContact O-N 3.35Å |
| 47 | W | 94.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 78 Ų | 78 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.7 | 169.1 | 77.1 | 0 | 0 | 0 | 111.6 | F24 M39 A42 N43 G44 R49 L50 R51 P216 R217 | F24-W47 HydrophobicContact CE1-CE3 4.25Å; F24-W47 HydrophobicContact CE1-CH2 4.38Å; F24-W47 AromaticContact CE1-CZ3 3.69Å; F24-W47 HydrophobicContact CE1-CZ3 3.69Å; F24-W47 AromaticContact CZ-CE3 3.97Å; F24-W47 HydrophobicContact CZ-CE3 3.97Å; F24-W47 AromaticContact CZ-CH2 3.92Å; F24-W47 HydrophobicContact CZ-CH2 3.92Å; F24-W47 AromaticContact CZ-CZ3 3.51Å; F24-W47 HydrophobicContact CZ-CZ3 3.51Å; M39-W47 VanDerWaalsContact O-CD1 3.27Å; A42-W47 HydrophobicContact CB-CB 4.05Å; A42-W47 WeakPolarHBondContact O-CB 3.47Å; N43-W47 PolarHBondContact O-N 2.67Å; G44-W47 PolarHBondContact O-N 2.92Å; W47-R49 VanDerWaalsContact C-N 3.3Å; W47-R49 PolarHBondContact O-N 3.19Å; W47-L50 PolarHBondContact O-N 2.99Å; W47-R51 HydrophobicContact CZ2-CB 4.31Å; W47-R51 HydrophobicContact CZ2-CG 4.1Å; W47-R51 VanDerWaalsContact O-CB 3.27Å; W47-R51 WeakPolarHBondContact O-CB 3.39Å; W47-R51 PolarHBondContact O-N 3.12Å; W47-P216 HydrophobicContact CH2-CB 3.62Å; W47-P216 WeakPolarHBondContact CH2-O 3.49Å; W47-P216 WeakPolarHBondContact CZ2-O 3.23Å; W47-P216 HydrophobicContact CZ3-CB 4.17Å; W47-R217 VanDerWaalsContact CG-CZ 3.42Å; W47-R217 VanDerWaalsContact CG-NH2 3.27Å; W47-R217 HydrophobicContact CH2-CG 4.48Å; W47-R217 HydrophobicContact CZ2-CG 4.04Å |
| 48 | K | 94.4 | Very high | 92.8 | Very high | 143 Ų | 143 | 75.6 Ų | 75.6 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.6 | -44 | 179.1 | -171.7 | 176.1 | 179.9 | 178.4 | 0 | 111.4 | G44 L45 R46 S52 | G44-K48 PolarHBondContact O-N 3.24Å; G44-K48 VanDerWaalsContact O-N 3.13Å; L45-K48 PolarHBondContact O-N 2.92Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 3.37Å; K48-S52 WeakPolarHBondContact O-CB 3.2Å; K48-S52 PolarHBondContact O-N 2.94Å |
| 49 | R | 95.2 | Very high | 92.9 | Very high | 181 Ų | 181 | 70.7 Ų | 70.7 | 68% | 0.683 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.3 | -52.1 | 175.7 | -71.7 | 177.4 | -176.5 | -178.7 | 1.2 | 112.1 | L45 R46 W47 R51 S52 I53 | L45-R49 WeakPolarHBondContact O-CG 3.23Å; L45-R49 PolarHBondContact O-N 2.73Å; R46-R49 PolarHBondContact O-N 3.02Å; W47-R49 VanDerWaalsContact C-N 3.3Å; W47-R49 PolarHBondContact O-N 3.19Å; R49-R51 VanDerWaalsContact C-N 3.3Å; R49-R51 PolarHBondContact O-N 2.84Å; R49-S52 WeakPolarHBondContact O-CB 3.14Å; R49-S52 PolarHBondContact O-N 3.49Å; R49-S52 VanDerWaalsContact O-N 3.15Å; R49-I53 WeakPolarHBondContact O-CG1 3.32Å; R49-I53 PolarHBondContact O-N 2.94Å |
| 50 | L | 95.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 71 Ų | 71 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 179.9 | -69.6 | 171.1 | 0 | 0 | 0 | 111.6 | I37 M39 A42 R46 W47 S52 I53 S54 | I37-L50 WeakPolarHBondContact O-CD1 3.49Å; M39-L50 HydrophobicContact CB-CB 4.03Å; M39-L50 HydrophobicContact CB-CD1 4.49Å; M39-L50 HydrophobicContact CG-CB 4.19Å; A42-L50 HydrophobicContact CB-CD1 3.73Å; R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 WeakPolarHBondContact O-CG 3.29Å; R46-L50 PolarHBondContact O-N 3.35Å; W47-L50 PolarHBondContact O-N 2.99Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.12Å; L50-I53 PolarHBondContact O-N 2.94Å; L50-S54 PolarHBondContact O-N 2.82Å; L50-S54 PolarHBondContact O-OG 3.05Å |
| 51 | R | 95.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 71.9 Ų | 71.9 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.3 | -174.8 | 64.7 | -178.7 | -133.2 | -4.4 | 111.9 | M39 W47 R49 I53 S54 A55 R218 | M39-R51 HydrophobicContact SD-CB 4.17Å; W47-R51 HydrophobicContact CZ2-CB 4.31Å; W47-R51 HydrophobicContact CZ2-CG 4.1Å; W47-R51 VanDerWaalsContact O-CB 3.27Å; W47-R51 WeakPolarHBondContact O-CB 3.39Å; W47-R51 PolarHBondContact O-N 3.12Å; R49-R51 VanDerWaalsContact C-N 3.3Å; R49-R51 PolarHBondContact O-N 2.84Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 2.82Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-A55 VanDerWaalsContact O-CB 3.27Å; R51-A55 WeakPolarHBondContact O-CB 3.38Å; R51-A55 PolarHBondContact O-N 3.05Å; R51-R218 VanDerWaalsContact CZ-O 3.25Å; R51-R218 PolarHBondContact NH1-O 3.43Å; R51-R218 PolarHBondContact NH2-O 2.83Å |
| 52 | S | 96.4 | Very high | 92.5 | Very high | 88 Ų | 88 | 74.9 Ų | 74.9 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.8 | -37 | 176.5 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | K48 R49 L50 P56 | K48-S52 WeakPolarHBondContact O-CB 3.2Å; K48-S52 PolarHBondContact O-N 2.94Å; R49-S52 WeakPolarHBondContact O-CB 3.14Å; R49-S52 PolarHBondContact O-N 3.49Å; R49-S52 VanDerWaalsContact O-N 3.15Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.12Å; S52-P56 WeakPolarHBondContact O-CD 3.35Å |
| 53 | I | 95.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 75.1 Ų | 75.1 | 67% | 0.667 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73 | -40 | 178.6 | -66.2 | 164.6 | 0 | 0 | 0 | 111 | R49 L50 R51 P56 | R49-I53 WeakPolarHBondContact O-CG1 3.32Å; R49-I53 PolarHBondContact O-N 2.94Å; L50-I53 PolarHBondContact O-N 2.94Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 2.82Å; I53-P56 WeakPolarHBondContact O-CD 3.39Å |
| 54 | S | 94 | Very high | 91.6 | Very high | 40 Ų | 40 | 77.9 Ų | 77.9 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -81.9 | -28.2 | -176.2 | -59 | 0 | 0 | 0 | 0 | 114.2 | L50 R51 P56 A57 | L50-S54 PolarHBondContact O-N 2.82Å; L50-S54 PolarHBondContact O-OG 3.05Å; R51-S54 PolarHBondContact O-N 2.95Å; S54-P56 VanDerWaalsContact C-CD 3.46Å; S54-A57 WeakPolarHBondContact O-CB 3.23Å; S54-A57 PolarHBondContact O-N 2.8Å; S54-A57 VanDerWaalsContact O-N 3.15Å |
| 55 | A | 94.2 | Very high | 91.1 | Very high | 42 Ų | 42 | 81.4 Ų | 81.4 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -56.1 | -40.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R51 A57 F58 I220 | R51-A55 VanDerWaalsContact O-CB 3.27Å; R51-A55 WeakPolarHBondContact O-CB 3.38Å; R51-A55 PolarHBondContact O-N 3.05Å; A55-A57 PolarHBondContact O-N 2.92Å; A55-A57 VanDerWaalsContact O-N 3.14Å; A55-F58 PolarHBondContact O-N 3.4Å; A55-I220 HydrophobicContact CB-CD1 4.06Å |
| 56 | P | 94.2 | Very high | 90.3 | Very high | 79 Ų | 79 | 78.7 Ų | 78.7 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -58.3 | -27.6 | 178.6 | -27.4 | 36.6 | 0 | 0 | 0 | 114.6 | S52 I53 S54 F58 S59 | S52-P56 WeakPolarHBondContact O-CD 3.35Å; I53-P56 WeakPolarHBondContact O-CD 3.39Å; S54-P56 VanDerWaalsContact C-CD 3.46Å; P56-F58 PolarHBondContact O-N 2.85Å; P56-S59 WeakPolarHBondContact O-CB 3.34Å; P56-S59 PolarHBondContact O-N 2.91Å; P56-S59 PolarHBondContact O-OG 3.39Å |
| 57 | A | 91.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -66.8 | -22.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S54 A55 R62 | S54-A57 WeakPolarHBondContact O-CB 3.23Å; S54-A57 PolarHBondContact O-N 2.8Å; S54-A57 VanDerWaalsContact O-N 3.15Å; A55-A57 PolarHBondContact O-N 2.92Å; A55-A57 VanDerWaalsContact O-N 3.14Å; A57-R62 WeakPolarHBondContact O-CB 3.2Å |
| 58 | F | 91.7 | Very high | 87.9 | Confident | 67 Ų | 67 | 79 Ų | 79 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -103.7 | 15.8 | 178.8 | -61.3 | -86.6 | 0 | 0 | 0 | 112.6 | A55 P56 I220 F224 | A55-F58 PolarHBondContact O-N 3.4Å; P56-F58 PolarHBondContact O-N 2.85Å; F58-I220 HydrophobicContact CB-CG1 4.49Å; F58-I220 WeakPolarHBondContact CB-O 3.45Å; F58-I220 HydrophobicContact CD2-CB 4.33Å; F58-I220 HydrophobicContact CD2-CD1 3.89Å; F58-I220 HydrophobicContact CD2-CG1 3.75Å; F58-I220 HydrophobicContact CD2-CG2 3.81Å; F58-I220 HydrophobicContact CE1-CG2 4.4Å; F58-I220 HydrophobicContact CE2-CD1 4.22Å; F58-I220 HydrophobicContact CE2-CG1 4.31Å; F58-I220 HydrophobicContact CE2-CG2 3.58Å; F58-I220 HydrophobicContact CG-CG1 4.27Å; F58-I220 HydrophobicContact CG-CG2 4.31Å; F58-I220 HydrophobicContact CZ-CG2 3.9Å; F58-F224 HydrophobicContact CD1-CB 4.28Å |
| 59 | S | 89.9 | Confident | 86 | Confident | 42 Ų | 42 | 78 Ų | 78 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -68.7 | 153 | 175.8 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | P56 V61 R62 L63 | P56-S59 WeakPolarHBondContact O-CB 3.34Å; P56-S59 PolarHBondContact O-N 2.91Å; P56-S59 PolarHBondContact O-OG 3.39Å; S59-V61 PolarHBondContact O-N 3.11Å; S59-V61 VanDerWaalsContact O-N 3.16Å; S59-R62 PolarHBondContact O-N 2.96Å; S59-R62 WeakPolarHBondContact OG-CG 3.36Å; S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.04Å |
| 60 | T | 86.3 | Confident | 84.2 | Confident | 51 Ų | 51 | 74 Ų | 74 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -52.2 | -40.3 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | R62 L63 K64 Y126 | T60-R62 PolarHBondContact O-N 3.42Å; T60-L63 PolarHBondContact O-N 3.34Å; T60-K64 WeakPolarHBondContact O-CG 3.32Å; T60-K64 PolarHBondContact O-N 3.32Å; T60-Y126 WeakPolarHBondContact CG2-OH 3.3Å |
| 61 | V | 87.1 | Confident | 82.4 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 178 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | S59 Q65 | S59-V61 PolarHBondContact O-N 3.11Å; S59-V61 VanDerWaalsContact O-N 3.16Å; V61-Q65 WeakPolarHBondContact O-CG 3.27Å; V61-Q65 PolarHBondContact O-N 3.27Å |
| 62 | R | 86.8 | Confident | 80.5 | Confident | 133 Ų | 133 | 71.5 Ų | 71.5 | 50% | 0.502 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 178.1 | -65.8 | -58.5 | -174.2 | -179.8 | 3.1 | 112.1 | A57 S59 T60 K64 Q65 V66 | A57-R62 WeakPolarHBondContact O-CB 3.2Å; S59-R62 PolarHBondContact O-N 2.96Å; S59-R62 WeakPolarHBondContact OG-CG 3.36Å; T60-R62 PolarHBondContact O-N 3.42Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.4Å; R62-Q65 WeakPolarHBondContact O-CB 3.34Å; R62-Q65 PolarHBondContact O-N 3.15Å; R62-V66 WeakPolarHBondContact O-CG2 3.31Å; R62-V66 PolarHBondContact O-N 3.06Å; R62-V66 VanDerWaalsContact O-N 3.16Å |
| 63 | L | 84.1 | Confident | 78.7 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.6 | -62.8 | 178 | 0 | 0 | 0 | 111.5 | S59 T60 Q65 V66 Y67 R223 F224 L227 | S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.04Å; T60-L63 PolarHBondContact O-N 3.34Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.04Å; L63-V66 PolarHBondContact O-N 3.08Å; L63-Y67 WeakPolarHBondContact O-CD2 3.44Å; L63-Y67 PolarHBondContact O-N 3.3Å; L63-R223 HydrophobicContact CD1-CB 3.66Å; L63-F224 HydrophobicContact CD2-CB 3.65Å; L63-F224 HydrophobicContact CD2-CD2 3.57Å; L63-F224 HydrophobicContact CD2-CG 4.09Å; L63-L227 HydrophobicContact CB-CD2 4.09Å |
| 64 | K | 82.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 71 Ų | 71 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.6 | -42 | 175.5 | -71.1 | -171.2 | -177.6 | -148.1 | 0 | 112.4 | T60 R62 V66 Y67 T68 Y126 E127 | T60-K64 WeakPolarHBondContact O-CG 3.32Å; T60-K64 PolarHBondContact O-N 3.32Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.4Å; K64-V66 PolarHBondContact O-N 3.22Å; K64-Y67 PolarHBondContact O-N 3.17Å; K64-T68 WeakPolarHBondContact O-CG2 3.12Å; K64-T68 PolarHBondContact O-N 2.98Å; K64-Y126 HydrophobicContact CD-CD1 4.14Å; K64-Y126 HydrophobicContact CD-CE1 4.28Å; K64-Y126 HydrophobicContact CG-CD1 3.82Å; K64-Y126 HydrophobicContact CG-CD2 4.11Å; K64-Y126 HydrophobicContact CG-CE1 4.01Å; K64-Y126 HydrophobicContact CG-CE2 4.28Å; K64-Y126 HydrophobicContact CG-CG 3.89Å; K64-E127 WeakPolarHBondContact CE-OE1 3.09Å; K64-E127 IonicContact NZ-OE1 3.78Å; K64-E127 PolarHBondContact NZ-OE1 3.31Å |
| 65 | Q | 80.1 | Confident | 75.5 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 179.6 | -69.6 | 174.7 | -17.2 | 0 | 0 | 113.4 | V61 R62 L63 T68 | V61-Q65 WeakPolarHBondContact O-CG 3.27Å; V61-Q65 PolarHBondContact O-N 3.27Å; R62-Q65 WeakPolarHBondContact O-CB 3.34Å; R62-Q65 PolarHBondContact O-N 3.15Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.04Å; Q65-T68 PolarHBondContact O-OG1 2.86Å |
| 66 | V | 75.1 | Confident | 73.9 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | -178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | R62 L63 K64 L69 F224 | R62-V66 WeakPolarHBondContact O-CG2 3.31Å; R62-V66 PolarHBondContact O-N 3.06Å; R62-V66 VanDerWaalsContact O-N 3.16Å; L63-V66 PolarHBondContact O-N 3.08Å; K64-V66 PolarHBondContact O-N 3.22Å; V66-L69 WeakPolarHBondContact O-CB 3.48Å; V66-F224 HydrophobicContact CG1-CE2 4.33Å |
| 67 | Y | 69.1 | Low | 72.5 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -92.6 | -8.4 | -173.3 | -71.9 | -80.8 | 0 | 0 | 0 | 115.2 | L63 K64 F224 L227 E228 L231 | L63-Y67 WeakPolarHBondContact O-CD2 3.44Å; L63-Y67 PolarHBondContact O-N 3.3Å; K64-Y67 PolarHBondContact O-N 3.17Å; Y67-F224 HydrophobicContact CE2-CD2 4.06Å; Y67-F224 AromaticContact CE2-CE2 3.88Å; Y67-F224 HydrophobicContact CE2-CE2 3.88Å; Y67-F224 AromaticContact CZ-CE2 3.92Å; Y67-F224 VanDerWaalsContact OH-CE2 3.31Å; Y67-F224 WeakPolarHBondContact OH-CE2 3.44Å; Y67-L227 HydrophobicContact CD2-CD2 3.3Å; Y67-L227 HydrophobicContact CD2-CG 3.95Å; Y67-L227 HydrophobicContact CE2-CB 4.44Å; Y67-L227 HydrophobicContact CE2-CD2 3.3Å; Y67-L227 HydrophobicContact CE2-CG 3.73Å; Y67-L227 HydrophobicContact CG-CD2 4.21Å; Y67-E228 WeakPolarHBondContact OH-CA 3.37Å; Y67-E228 VanDerWaalsContact OH-CB 3.23Å; Y67-E228 WeakPolarHBondContact OH-CB 3.39Å; Y67-E228 PolarHBondContact OH-N 3.03Å; Y67-L231 HydrophobicContact CD1-CD1 3.17Å; Y67-L231 HydrophobicContact CD2-CD1 4.25Å; Y67-L231 HydrophobicContact CE1-CD1 3.61Å; Y67-L231 HydrophobicContact CG-CD1 3.52Å |
| 68 | T | 66.7 | Low | 71.2 | Confident | 118 Ų | 118 | 78.1 Ų | 78.1 | 72% | 0.724 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.4 | -22.3 | 165.2 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | K64 Q65 | K64-T68 WeakPolarHBondContact O-CG2 3.12Å; K64-T68 PolarHBondContact O-N 2.98Å; Q65-T68 PolarHBondContact O-OG1 2.86Å |
| 69 | L | 55 | Low | 69.8 | Low | 122 Ų | 122 | 75.5 Ų | 75.5 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -69.6 | 138.9 | 169.7 | -59.4 | 168.7 | 0 | 0 | 0 | 107.6 | V66 S71 | V66-L69 WeakPolarHBondContact O-CB 3.48Å; L69-S71 PolarHBondContact O-N 3.08Å |
| 70 | D | 56.6 | Low | 68.5 | Low | 98 Ų | 98 | 75.7 Ų | 75.7 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | trans | -63 | 68.7 | -171.3 | -162.8 | 16.1 | 0 | 0 | 0 | 112.6 | D72 K123 | D70-D72 PolarHBondContact O-N 2.99Å; D70-K123 IonicContact OD1-NZ 2.8Å | ||
| 71 | S | 58 | Low | 66.9 | Low | 18 Ų | 18 | 77.7 Ų | 77.7 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.3 | -16.9 | -177.1 | 56.8 | 0 | 0 | 0 | 0 | 111 | L69 Q73 T74 I75 R235 | L69-S71 PolarHBondContact O-N 3.08Å; S71-Q73 PolarHBondContact O-N 3.11Å; S71-T74 PolarHBondContact O-N 3.4Å; S71-I75 WeakPolarHBondContact O-CB 3.36Å; S71-I75 WeakPolarHBondContact O-CG1 3.44Å; S71-I75 PolarHBondContact O-N 3.03Å; S71-R235 PolarHBondContact OG-NH1 2.86Å |
| 72 | D | 56.5 | Low | 65 | Low | 30 Ų | 30 | 81.1 Ų | 81.1 | 16% | 0.16 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 179.6 | -73.4 | -0.2 | 0 | 0 | 0 | 111.1 | D70 T74 M76 K123 R235 | D70-D72 PolarHBondContact O-N 2.99Å; D72-T74 PolarHBondContact O-N 3.37Å; D72-M76 WeakPolarHBondContact O-CB 3.44Å; D72-M76 WeakPolarHBondContact O-CG 3.46Å; D72-M76 PolarHBondContact O-N 3.06Å; D72-K123 VanDerWaalsContact OD2-CD 3.26Å; D72-K123 WeakPolarHBondContact OD2-CD 3.4Å; D72-K123 WeakPolarHBondContact OD2-CE 3.18Å; D72-K123 IonicContact OD2-NZ 2.74Å; D72-K123 PolarHBondContact OD2-NZ 3.28Å; D72-R235 WeakPolarHBondContact OD1-CD 3.11Å; D72-R235 IonicContact OD1-CZ 3.68Å; D72-R235 IonicContact OD1-NE 2.76Å; D72-R235 PolarHBondContact OD1-NE 2.78Å; D72-R235 IonicContact OD1-NH1 2.72Å; D72-R235 PolarHBondContact OD1-NH1 3.02Å; D72-R235 IonicContact OD1-NH2 3.77Å; D72-R235 PolarHBondContact OD1-NH2 2.94Å |
| 73 | Q | 58.6 | Low | 62.9 | Low | 127 Ų | 127 | 82.1 Ų | 82.1 | 59% | 0.593 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | -179.8 | -78.9 | -165.9 | -6.2 | 0 | 0 | 111.9 | S71 K77 | S71-Q73 PolarHBondContact O-N 3.11Å; Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.43Å; Q73-K77 VanDerWaalsContact O-CG 3.28Å; Q73-K77 WeakPolarHBondContact O-CG 3.41Å; Q73-K77 PolarHBondContact O-N 3.48Å |
| 74 | T | 62.5 | Low | 61.4 | Low | 81 Ų | 81 | 84.4 Ų | 84.4 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.9 | -43.6 | -178.4 | -47.1 | 0 | 0 | 0 | 0 | 112.1 | S71 D72 K77 K78 | S71-T74 PolarHBondContact O-N 3.4Å; D72-T74 PolarHBondContact O-N 3.37Å; T74-K77 PolarHBondContact O-N 3.48Å; T74-K78 WeakPolarHBondContact O-CB 3.45Å; T74-K78 WeakPolarHBondContact O-CG 3.4Å; T74-K78 PolarHBondContact O-N 3.07Å |
| 75 | I | 59.6 | Low | 60.3 | Low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.128 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 178.2 | -68.3 | 167.9 | 0 | 0 | 0 | 109.3 | S71 K78 L79 T232 | S71-I75 WeakPolarHBondContact O-CB 3.36Å; S71-I75 WeakPolarHBondContact O-CG1 3.44Å; S71-I75 PolarHBondContact O-N 3.03Å; I75-K78 PolarHBondContact O-N 3.39Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.17Å; I75-L79 PolarHBondContact O-N 2.89Å; I75-T232 HydrophobicContact CG2-CG2 3.78Å |
| 76 | M | 61 | Low | 59.4 | Low | 41 Ų | 41 | 85.8 Ų | 85.8 | 20% | 0.202 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.9 | -64.1 | -64.5 | -72.9 | 0 | 0 | 111 | D72 K78 L79 F80 Y240 | D72-M76 WeakPolarHBondContact O-CB 3.44Å; D72-M76 WeakPolarHBondContact O-CG 3.46Å; D72-M76 PolarHBondContact O-N 3.06Å; M76-K78 VanDerWaalsContact C-N 3.29Å; M76-K78 PolarHBondContact O-N 2.95Å; M76-L79 PolarHBondContact O-N 3.24Å; M76-F80 HydrophobicContact CB-CD2 4.36Å; M76-F80 HydrophobicContact CE-CD2 3.83Å; M76-F80 HydrophobicContact CE-CE2 3.2Å; M76-F80 HydrophobicContact CE-CZ 3.71Å; M76-F80 VanDerWaalsContact O-CB 3.29Å; M76-F80 WeakPolarHBondContact O-CB 3.47Å; M76-F80 WeakPolarHBondContact O-CD2 3.49Å; M76-F80 PolarHBondContact O-N 2.92Å; M76-F80 HydrophobicContact SD-CD2 4.24Å; M76-F80 HydrophobicContact SD-CE2 3.69Å; M76-Y240 HydrophobicContact CE-CE2 3.77Å |
| 77 | K | 64.4 | Low | 58.9 | Low | 144 Ų | 144 | 82.3 Ų | 82.3 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62 | -35.5 | 174.7 | -79.6 | -175.3 | 174.9 | -171.1 | 0 | 113.3 | Q73 T74 F80 | Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.43Å; Q73-K77 VanDerWaalsContact O-CG 3.28Å; Q73-K77 WeakPolarHBondContact O-CG 3.41Å; Q73-K77 PolarHBondContact O-N 3.48Å; T74-K77 PolarHBondContact O-N 3.48Å; K77-F80 CarbonylContact O-C 3.29Å |
| 78 | K | 63.3 | Low | 58.5 | Low | 165 Ų | 165 | 86.6 Ų | 86.6 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 175.8 | -80.4 | -178.5 | 177.6 | -175.3 | 0 | 112.5 | T74 I75 M76 | T74-K78 WeakPolarHBondContact O-CB 3.45Å; T74-K78 WeakPolarHBondContact O-CG 3.4Å; T74-K78 PolarHBondContact O-N 3.07Å; I75-K78 PolarHBondContact O-N 3.39Å; M76-K78 VanDerWaalsContact C-N 3.29Å; M76-K78 PolarHBondContact O-N 2.95Å |
| 79 | L | 63.4 | Low | 58.2 | Low | 12 Ų | 12 | 81.5 Ų | 81.5 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78.4 | -26.7 | 179.3 | -67 | 173.8 | 0 | 0 | 0 | 112.5 | I75 M76 P81 M87 M89 L94 T232 | I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.17Å; I75-L79 PolarHBondContact O-N 2.89Å; M76-L79 PolarHBondContact O-N 3.24Å; L79-P81 VanDerWaalsContact C-CD 3.5Å; L79-P81 WeakPolarHBondContact O-CD 3.49Å; L79-M87 HydrophobicContact CB-SD 3.91Å; L79-M87 HydrophobicContact CD2-SD 4.01Å; L79-M87 HydrophobicContact CG-SD 4.39Å; L79-M87 WeakPolarHBondContact O-CG 3.38Å; L79-M89 HydrophobicContact CD2-CE 3.92Å; L79-M89 HydrophobicContact CD2-SD 3.46Å; L79-M89 WeakPolarHBondContact CD2-SD 3.35Å; L79-L94 HydrophobicContact CD2-CD2 4.26Å; L79-T232 HydrophobicContact CD1-CG2 3.55Å |
| 80 | F | 61.8 | Low | 58.3 | Low | 46 Ų | 46 | 83.1 Ų | 83.1 | 20% | 0.202 | 43% | 0.426 | C | S | . | . | trans | -125.2 | 74.9 | -175.2 | -59.9 | -100.2 | 0 | 0 | 0 | 110.7 | M76 K77 E82 L236 Y240 L270 | M76-F80 HydrophobicContact CB-CD2 4.36Å; M76-F80 HydrophobicContact CE-CD2 3.83Å; M76-F80 HydrophobicContact CE-CE2 3.2Å; M76-F80 HydrophobicContact CE-CZ 3.71Å; M76-F80 VanDerWaalsContact O-CB 3.29Å; M76-F80 WeakPolarHBondContact O-CB 3.47Å; M76-F80 WeakPolarHBondContact O-CD2 3.49Å; M76-F80 PolarHBondContact O-N 2.92Å; M76-F80 HydrophobicContact SD-CD2 4.24Å; M76-F80 HydrophobicContact SD-CE2 3.69Å; K77-F80 CarbonylContact O-C 3.29Å; F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.37Å; F80-L236 HydrophobicContact CE2-CD1 4.04Å; F80-L236 HydrophobicContact CZ-CD1 3.72Å; F80-Y240 HydrophobicContact CZ-CD2 4.32Å; F80-Y240 HydrophobicContact CZ-CE2 4.09Å; F80-L270 HydrophobicContact CD1-CD1 4.14Å; F80-L270 HydrophobicContact CE1-CD1 3.14Å; F80-L270 HydrophobicContact CE1-CG 4.45Å; F80-L270 HydrophobicContact CE2-CD1 4.4Å; F80-L270 HydrophobicContact CZ-CD1 3.32Å | ||
| 81 | P | 52.7 | Low | 58.4 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | trans | -69.2 | 95.4 | 166.5 | 27.9 | -30 | 0 | 0 | 0 | 108.8 | L79 | L79-P81 VanDerWaalsContact C-CD 3.5Å; L79-P81 WeakPolarHBondContact O-CD 3.49Å | ||
| 82 | E | 46.6 | Very low | 59.3 | Low | 170 Ų | 170 | 84.4 Ų | 84.4 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 25.3 | 115.1 | 161.7 | -59.7 | -171.3 | 175.4 | 0 | 0 | 119 | F80 | F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.37Å |
| 83 | V | 44 | Very low | 60.8 | Low | 153 Ų | 153 | 83.8 Ų | 83.8 | 93% | 0.927 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 80.4 | 101.7 | 165.1 | -165.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 84 | G | 51.5 | Low | 62.2 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 118.1 | 133.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | K86 | G84-K86 PolarHBondContact O-N 3.22Š|
| 85 | Q | 60.9 | Low | 63.5 | Low | 115 Ų | 115 | 74.5 Ų | 74.5 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -68.6 | 35.2 | 175.1 | -80.8 | 176.2 | -0.6 | 0 | 0 | 112.5 | S269 L270 | Q85-S269 CarbonylContact O-C 3.51Å; Q85-S269 VanDerWaalsContact O-CA 3.29Å; Q85-S269 WeakPolarHBondContact O-CA 3.48Å; Q85-L270 WeakPolarHBondContact CB-O 3.41Å; Q85-L270 WeakPolarHBondContact CG-O 3.46Å; Q85-L270 PolarHBondContact O-N 3.15Å; Q85-L270 PolarHBondContact OE1-O 3.25Å |
| 86 | K | 60.1 | Low | 65.1 | Low | 92 Ų | 92 | 73.4 Ų | 73.4 | 40% | 0.4 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.1 | -177.2 | -68.4 | -170.7 | 173.6 | -164.7 | 0 | 109.5 | G84 F88 L268 | G84-K86 PolarHBondContact O-N 3.22Å; K86-F88 HydrophobicContact CB-CE2 4.36Å; K86-L268 CarbonylContact C-O 3.44Å; K86-L268 VanDerWaalsContact CA-O 3.28Å; K86-L268 WeakPolarHBondContact CA-O 3.47Å |
| 87 | M | 65.7 | Low | 66.7 | Low | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.9 | 177 | -178.6 | 164.7 | 70.6 | 0 | 0 | 109 | L79 M89 I98 L236 V267 L268 L270 | L79-M87 HydrophobicContact CB-SD 3.91Å; L79-M87 HydrophobicContact CD2-SD 4.01Å; L79-M87 HydrophobicContact CG-SD 4.39Å; L79-M87 WeakPolarHBondContact O-CG 3.38Å; M87-M89 HydrophobicContact CE-CG 4.45Å; M87-M89 HydrophobicContact CG-CG 3.96Å; M87-M89 HydrophobicContact CG-SD 4.24Å; M87-M89 HydrophobicContact SD-SD 4.41Å; M87-I98 HydrophobicContact CE-CB 4.38Å; M87-I98 HydrophobicContact CE-CD1 3.67Å; M87-I98 HydrophobicContact CE-CG2 3.38Å; M87-L236 HydrophobicContact CE-CD2 4.27Å; M87-V267 WeakPolarHBondContact O-CA 3.4Å; M87-L268 HydrophobicContact CE-CD1 4.11Å; M87-L268 PolarHBondContact N-O 3.27Å; M87-L268 PolarHBondContact O-N 2.99Å; M87-L270 HydrophobicContact CB-CD1 4.07Å; M87-L270 HydrophobicContact CE-CD1 4.43Å; M87-L270 HydrophobicContact SD-CD1 4.24Å |
| 88 | F | 59.2 | Low | 68.1 | Low | 114 Ų | 114 | 64.6 Ų | 64.6 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.8 | 175.5 | -77.6 | -94.3 | 0 | 0 | 0 | 109.6 | K86 V266 V267 | K86-F88 HydrophobicContact CB-CE2 4.36Å; F88-V266 WeakPolarHBondContact CA-O 3.37Å; F88-V267 HydrophobicContact CD1-CG1 4.49Å; F88-V267 HydrophobicContact CD1-CG2 3.68Å; F88-V267 HydrophobicContact CE1-CB 4.21Å; F88-V267 HydrophobicContact CE1-CG1 4.02Å; F88-V267 HydrophobicContact CE1-CG2 3.23Å; F88-V267 HydrophobicContact CE2-CG1 4.03Å; F88-V267 HydrophobicContact CZ-CB 4.43Å; F88-V267 HydrophobicContact CZ-CG1 3.75Å; F88-V267 HydrophobicContact CZ-CG2 3.82Å |
| 89 | M | 61.7 | Low | 69.6 | Low | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 122.8 | -176.7 | -67.1 | -70.6 | -70.9 | 0 | 0 | 110 | L79 M87 N92 L94 S95 V266 | L79-M89 HydrophobicContact CD2-CE 3.92Å; L79-M89 HydrophobicContact CD2-SD 3.46Å; L79-M89 WeakPolarHBondContact CD2-SD 3.35Å; M87-M89 HydrophobicContact CE-CG 4.45Å; M87-M89 HydrophobicContact CG-CG 3.96Å; M87-M89 HydrophobicContact CG-SD 4.24Å; M87-M89 HydrophobicContact SD-SD 4.41Å; M89-N92 VanDerWaalsContact CE-OD1 3.27Å; M89-N92 WeakPolarHBondContact CE-OD1 3.15Å; M89-L94 HydrophobicContact CE-CB 4.44Å; M89-L94 HydrophobicContact CE-CD2 4.15Å; M89-L94 HydrophobicContact CE-CG 4.23Å; M89-S95 WeakPolarHBondContact CB-OG 3.44Å; M89-S95 VanDerWaalsContact CE-OG 3.28Å; M89-S95 WeakPolarHBondContact CE-OG 2.73Å; M89-V266 PolarHBondContact N-O 3.28Å; M89-V266 PolarHBondContact O-N 3.24Å |
| 90 | E | 55.2 | Low | 71.2 | Confident | 155 Ų | 155 | 56.1 Ų | 56.1 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | trans | -108.4 | -29.4 | -170.9 | -65.2 | -173.5 | 165.3 | 0 | 0 | 113.6 | ||||
| 91 | N | 60.7 | Low | 72.9 | Confident | 82 Ų | 82 | 54 Ų | 54 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -168.2 | 92.2 | -177.6 | -160.7 | -8.1 | 0 | 0 | 0 | 115.1 | T261 | N91-T261 HydrophobicContact CB-CG2 4.16Å; N91-T261 WeakPolarHBondContact ND2-CG2 3.37Å; N91-T261 WeakPolarHBondContact OD1-CG2 3.43Å |
| 92 | N | 76.7 | Confident | 74.9 | Confident | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -174.3 | 164.9 | 156.8 | 49.2 | 38.5 | 0 | 0 | 0 | 110.9 | M89 L94 S95 | M89-N92 VanDerWaalsContact CE-OD1 3.27Å; M89-N92 WeakPolarHBondContact CE-OD1 3.15Å; N92-L94 PolarHBondContact O-N 3.1Å; N92-L94 VanDerWaalsContact O-N 3.13Å; N92-L94 WeakPolarHBondContact OD1-CB 3.22Å; N92-L94 PolarHBondContact OD1-N 3.48Å; N92-S95 PolarHBondContact N-OG 2.7Å; N92-S95 WeakPolarHBondContact O-CB 3.28Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 PolarHBondContact O-OG 2.87Å; N92-S95 PolarHBondContact OD1-N 3.31Å; N92-S95 PolarHBondContact OD1-OG 3.33Å |
| 93 | A | 87.2 | Confident | 77.3 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.3 | -30.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S95 Y96 A97 L143 V148 M229 | A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.01Å; A93-Y96 PolarHBondContact O-N 3.43Å; A93-A97 PolarHBondContact O-N 3.02Å; A93-A97 VanDerWaalsContact O-N 3.07Å; A93-L143 HydrophobicContact CB-CD2 3.45Å; A93-L143 VanDerWaalsContact CB-CD2 3.45Å; A93-L143 HydrophobicContact CB-CG 4.45Å; A93-V148 HydrophobicContact CB-CG2 3.97Å; A93-M229 HydrophobicContact CB-CE 3.72Å; A93-M229 HydrophobicContact CB-SD 3.6Å; A93-M229 VanDerWaalsContact CB-SD 3.6Å |
| 94 | L | 88.6 | Confident | 79.8 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 175.6 | 178.2 | 68.8 | 0 | 0 | 0 | 112 | L79 M89 N92 Y96 A97 I98 M229 T232 L233 | L79-L94 HydrophobicContact CD2-CD2 4.26Å; M89-L94 HydrophobicContact CE-CB 4.44Å; M89-L94 HydrophobicContact CE-CD2 4.15Å; M89-L94 HydrophobicContact CE-CG 4.23Å; N92-L94 PolarHBondContact O-N 3.1Å; N92-L94 VanDerWaalsContact O-N 3.13Å; N92-L94 WeakPolarHBondContact OD1-CB 3.22Å; N92-L94 PolarHBondContact OD1-N 3.48Å; L94-Y96 VanDerWaalsContact C-N 3.31Å; L94-Y96 PolarHBondContact O-N 3.45Å; L94-A97 PolarHBondContact O-N 2.76Å; L94-I98 HydrophobicContact CD1-CD1 3.82Å; L94-I98 HydrophobicContact CD1-CG1 4.05Å; L94-I98 HydrophobicContact CD2-CD1 4.25Å; L94-I98 HydrophobicContact CG-CD1 3.65Å; L94-I98 HydrophobicContact CG-CG1 4.26Å; L94-I98 WeakPolarHBondContact O-CB 3.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.2Å; L94-I98 PolarHBondContact O-N 3.07Å; L94-M229 HydrophobicContact CB-CG 4.35Å; L94-T232 HydrophobicContact CD1-CG2 4.05Å; L94-T232 HydrophobicContact CD2-CG2 3.44Å; L94-T232 VanDerWaalsContact CD2-CG2 3.44Å; L94-T232 HydrophobicContact CG-CG2 4.37Å; L94-L233 HydrophobicContact CD1-CD2 3.73Å; L94-L233 HydrophobicContact CD1-CG 3.75Å |
| 95 | S | 88.6 | Confident | 82 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 176.6 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | M89 N92 A93 I98 Y99 | M89-S95 WeakPolarHBondContact CB-OG 3.44Å; M89-S95 VanDerWaalsContact CE-OG 3.28Å; M89-S95 WeakPolarHBondContact CE-OG 2.73Å; N92-S95 PolarHBondContact N-OG 2.7Å; N92-S95 WeakPolarHBondContact O-CB 3.28Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 PolarHBondContact O-OG 2.87Å; N92-S95 PolarHBondContact OD1-N 3.31Å; N92-S95 PolarHBondContact OD1-OG 3.33Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.01Å; S95-I98 PolarHBondContact O-N 3.02Å; S95-Y99 WeakPolarHBondContact O-CB 3.19Å; S95-Y99 PolarHBondContact O-N 2.73Å |
| 96 | Y | 94 | Very high | 83.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 178.3 | -65.6 | -65.1 | 0 | 0 | 0 | 112.3 | A93 L94 I98 Y99 E100 Y146 V148 L252 L254 N260 T261 P262 | A93-Y96 PolarHBondContact O-N 3.43Å; L94-Y96 VanDerWaalsContact C-N 3.31Å; L94-Y96 PolarHBondContact O-N 3.45Å; Y96-I98 VanDerWaalsContact C-N 3.33Å; Y96-I98 PolarHBondContact O-N 3.34Å; Y96-Y99 WeakPolarHBondContact O-CB 3.5Å; Y96-Y99 PolarHBondContact O-N 2.72Å; Y96-E100 PolarHBondContact O-N 3.38Å; Y96-Y146 AromaticContact CD1-CD1 3.38Å; Y96-Y146 HydrophobicContact CD1-CD1 3.38Å; Y96-Y146 AromaticContact CD1-CD2 3.9Å; Y96-Y146 HydrophobicContact CD1-CD2 3.9Å; Y96-Y146 AromaticContact CD1-CE1 3.77Å; Y96-Y146 HydrophobicContact CD1-CE1 3.77Å; Y96-Y146 HydrophobicContact CD1-CE2 4.22Å; Y96-Y146 AromaticContact CD1-CG 3.45Å; Y96-Y146 HydrophobicContact CD1-CG 3.45Å; Y96-Y146 VanDerWaalsContact CD1-CG 3.45Å; Y96-Y146 HydrophobicContact CD2-CD1 4.47Å; Y96-Y146 HydrophobicContact CD2-CG 4.01Å; Y96-Y146 AromaticContact CE1-CD1 3.46Å; Y96-Y146 HydrophobicContact CE1-CD1 3.46Å; Y96-Y146 VanDerWaalsContact CE1-CD1 3.46Å; Y96-Y146 AromaticContact CE1-CE1 3.92Å; Y96-Y146 HydrophobicContact CE1-CE1 3.92Å; Y96-Y146 AromaticContact CE1-CG 3.94Å; Y96-Y146 HydrophobicContact CE1-CG 3.94Å; Y96-Y146 HydrophobicContact CE2-CG 4.44Å; Y96-Y146 AromaticContact CG-CD1 3.92Å; Y96-Y146 HydrophobicContact CG-CD1 3.92Å; Y96-Y146 AromaticContact CG-CD2 3.85Å; Y96-Y146 HydrophobicContact CG-CD2 3.85Å; Y96-Y146 AromaticContact CG-CG 3.48Å; Y96-Y146 HydrophobicContact CG-CG 3.48Å; Y96-Y146 VanDerWaalsContact CG-CG 3.48Å; Y96-V148 HydrophobicContact CD2-CG2 4.15Å; Y96-V148 HydrophobicContact CE2-CG2 4.05Å; Y96-L252 HydrophobicContact CD1-CD1 4Å; Y96-L252 HydrophobicContact CE1-CD1 3.95Å; Y96-L254 HydrophobicContact CE1-CD2 3.88Å; Y96-N260 PolarHBondContact OH-O 2.95Å; Y96-T261 VanDerWaalsContact OH-CA 3.31Å; Y96-T261 WeakPolarHBondContact OH-CA 3.45Å; Y96-P262 HydrophobicContact CE1-CG 3.8Å; Y96-P262 WeakPolarHBondContact OH-CD 3.05Å |
| 97 | A | 95 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A93 L94 E100 L101 T142 M229 L233 | A93-A97 PolarHBondContact O-N 3.02Å; A93-A97 VanDerWaalsContact O-N 3.07Å; L94-A97 PolarHBondContact O-N 2.76Å; A97-E100 PolarHBondContact O-N 3.28Å; A97-L101 WeakPolarHBondContact O-CB 3.34Å; A97-L101 WeakPolarHBondContact O-CD1 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 2.91Å; A97-T142 WeakPolarHBondContact CA-OG1 3.42Å; A97-T142 HydrophobicContact CB-CG2 3.8Å; A97-M229 HydrophobicContact CB-CE 4.23Å; A97-L233 HydrophobicContact CB-CD1 4.06Å; A97-L233 HydrophobicContact CB-CD2 4.29Å |
| 98 | I | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -38.6 | -180 | -61.9 | 171.9 | 0 | 0 | 0 | 110.5 | M87 L94 S95 Y96 A102 L233 L236 I242 L268 | M87-I98 HydrophobicContact CE-CB 4.38Å; M87-I98 HydrophobicContact CE-CD1 3.67Å; M87-I98 HydrophobicContact CE-CG2 3.38Å; L94-I98 HydrophobicContact CD1-CD1 3.82Å; L94-I98 HydrophobicContact CD1-CG1 4.05Å; L94-I98 HydrophobicContact CD2-CD1 4.25Å; L94-I98 HydrophobicContact CG-CD1 3.65Å; L94-I98 HydrophobicContact CG-CG1 4.26Å; L94-I98 WeakPolarHBondContact O-CB 3.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.2Å; L94-I98 PolarHBondContact O-N 3.07Å; S95-I98 PolarHBondContact O-N 3.02Å; Y96-I98 VanDerWaalsContact C-N 3.33Å; Y96-I98 PolarHBondContact O-N 3.34Å; I98-A102 WeakPolarHBondContact O-CB 3.47Å; I98-A102 PolarHBondContact O-N 3.35Å; I98-L233 HydrophobicContact CG1-CD2 3.71Å; I98-L236 HydrophobicContact CD1-CD2 3.93Å; I98-L236 HydrophobicContact CG1-CD2 4.21Å; I98-L236 HydrophobicContact CG2-CD2 4.34Å; I98-I242 HydrophobicContact CG2-CD1 3.77Å; I98-I242 HydrophobicContact CG2-CG2 3.88Å; I98-L268 HydrophobicContact CB-CD1 4.01Å; I98-L268 HydrophobicContact CG2-CD1 3.22Å |
| 99 | Y | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 171.9 | 170.2 | -102.4 | 0 | 0 | 0 | 112.2 | S95 Y96 L101 A102 R103 I244 T248 V250 L252 V266 | S95-Y99 WeakPolarHBondContact O-CB 3.19Å; S95-Y99 PolarHBondContact O-N 2.73Å; Y96-Y99 WeakPolarHBondContact O-CB 3.5Å; Y96-Y99 PolarHBondContact O-N 2.72Å; Y99-L101 PolarHBondContact O-N 3.09Å; Y99-A102 WeakPolarHBondContact O-CB 3.2Å; Y99-A102 PolarHBondContact O-N 3Å; Y99-A102 VanDerWaalsContact O-N 3.12Å; Y99-R103 VanDerWaalsContact CE1-CD 3.4Å; Y99-R103 HydrophobicContact CE1-CG 4.44Å; Y99-R103 HydrophobicContact CE2-CG 4.34Å; Y99-R103 PolarHBondContact O-N 3.4Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; Y99-I244 HydrophobicContact CD2-CD1 3.57Å; Y99-I244 HydrophobicContact CE2-CD1 3.77Å; Y99-T248 HydrophobicContact CD2-CG2 4.15Å; Y99-T248 HydrophobicContact CE2-CG2 3.9Å; Y99-V250 HydrophobicContact CE2-CG2 4.34Å; Y99-L252 HydrophobicContact CD1-CD1 3.74Å; Y99-L252 HydrophobicContact CD1-CG 4.3Å; Y99-L252 HydrophobicContact CD2-CD1 4.11Å; Y99-L252 HydrophobicContact CD2-CD2 4.27Å; Y99-L252 HydrophobicContact CD2-CG 4.24Å; Y99-L252 HydrophobicContact CE1-CD1 3.73Å; Y99-L252 HydrophobicContact CE1-CG 3.82Å; Y99-L252 HydrophobicContact CE2-CD1 4.09Å; Y99-L252 HydrophobicContact CE2-CD2 3.86Å; Y99-L252 HydrophobicContact CE2-CG 3.74Å; Y99-L252 HydrophobicContact CG-CD1 3.92Å; Y99-L252 HydrophobicContact CG-CG 4.48Å; Y99-L252 PolarHBondContact OH-N 2.97Å; Y99-V266 HydrophobicContact CD2-CG1 3.98Å |
| 100 | E | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | -179.1 | -75.9 | -55 | 143.5 | 0 | 0 | 112.3 | Y96 A97 A102 R103 H104 Y146 F195 | Y96-E100 PolarHBondContact O-N 3.38Å; A97-E100 PolarHBondContact O-N 3.28Å; E100-A102 VanDerWaalsContact C-N 3.26Å; E100-A102 PolarHBondContact O-N 2.98Å; E100-R103 PolarHBondContact O-N 2.95Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 IonicContact OE1-NH1 3.54Å; E100-R103 PolarHBondContact OE1-NH1 2.89Å; E100-R103 IonicContact OE2-NH1 2.84Å; E100-H104 WeakPolarHBondContact O-CB 3.32Å; E100-H104 PolarHBondContact O-N 3.44Å; E100-H104 PolarHBondContact O-ND1 2.99Å; E100-H104 IonicContact OE2-CE1 3.85Å; E100-H104 PolarHBondContact OE2-CE1 3.3Å; E100-H104 IonicContact OE2-ND1 3.54Å; E100-H104 PolarHBondContact OE2-ND1 3.47Å; E100-Y146 HydrophobicContact CG-CE2 3.77Å; E100-Y146 PolarHBondContact OE1-OH 3.45Å; E100-F195 HydrophobicContact CB-CD1 3.92Å; E100-F195 HydrophobicContact CB-CD2 3.99Å; E100-F195 HydrophobicContact CB-CE1 3.79Å; E100-F195 HydrophobicContact CB-CE2 3.87Å; E100-F195 HydrophobicContact CB-CG 4.01Å; E100-F195 HydrophobicContact CB-CZ 3.77Å; E100-F195 HydrophobicContact CG-CD1 4.47Å; E100-F195 HydrophobicContact CG-CD2 3.82Å; E100-F195 HydrophobicContact CG-CE2 4.01Å; E100-F195 HydrophobicContact CG-CG 4.06Å; E100-F195 HydrophobicContact CG-CZ 4.43Å |
| 101 | L | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -34.7 | 172.4 | -72.4 | 166.6 | 0 | 0 | 0 | 112.3 | A97 Y99 R103 H104 I107 Q108 L111 V138 L233 L237 | A97-L101 WeakPolarHBondContact O-CB 3.34Å; A97-L101 WeakPolarHBondContact O-CD1 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 2.91Å; Y99-L101 PolarHBondContact O-N 3.09Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-H104 CarbonylContact O-C 3.58Å; L101-I107 HydrophobicContact CD2-CG2 4.11Å; L101-Q108 HydrophobicContact CB-CB 4.42Å; L101-Q108 HydrophobicContact CB-CG 4.26Å; L101-Q108 HydrophobicContact CD2-CB 4.22Å; L101-Q108 HydrophobicContact CD2-CG 4.42Å; L101-Q108 WeakPolarHBondContact O-CB 3.46Å; L101-Q108 PolarHBondContact O-NE2 3.3Å; L101-L111 HydrophobicContact CD1-CD2 4.15Å; L101-L111 HydrophobicContact CD2-CD2 3.92Å; L101-V138 HydrophobicContact CD1-CG1 4.35Å; L101-V138 HydrophobicContact CD2-CG1 4.05Å; L101-V138 HydrophobicContact CG-CG1 4.25Å; L101-L233 HydrophobicContact CD1-CD2 3.83Å; L101-L237 HydrophobicContact CD1-CD1 4.08Å |
| 102 | A | 96.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.1 | -28.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I98 Y99 E100 I242 I244 L268 | I98-A102 WeakPolarHBondContact O-CB 3.47Å; I98-A102 PolarHBondContact O-N 3.35Å; Y99-A102 WeakPolarHBondContact O-CB 3.2Å; Y99-A102 PolarHBondContact O-N 3Å; Y99-A102 VanDerWaalsContact O-N 3.12Å; E100-A102 VanDerWaalsContact C-N 3.26Å; E100-A102 PolarHBondContact O-N 2.98Å; A102-I242 HydrophobicContact CB-CB 4.39Å; A102-I242 HydrophobicContact CB-CG2 3.84Å; A102-I244 HydrophobicContact CB-CD1 3.64Å; A102-I244 HydrophobicContact CB-CG1 3.84Å; A102-L268 HydrophobicContact CB-CD2 3.95Å |
| 103 | R | 95.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 30.1 Ų | 30.1 | 34% | 0.343 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -78.9 | -23.2 | 174.6 | -73.7 | -176.2 | 61.2 | -144.5 | 0.7 | 113.9 | Y99 E100 L101 P105 I244 | Y99-R103 VanDerWaalsContact CE1-CD 3.4Å; Y99-R103 HydrophobicContact CE1-CG 4.44Å; Y99-R103 HydrophobicContact CE2-CG 4.34Å; Y99-R103 PolarHBondContact O-N 3.4Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; E100-R103 PolarHBondContact O-N 2.95Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 IonicContact OE1-NH1 3.54Å; E100-R103 PolarHBondContact OE1-NH1 2.89Å; E100-R103 IonicContact OE2-NH1 2.84Å; L101-R103 VanDerWaalsContact C-N 3.34Å; R103-P105 WeakPolarHBondContact O-CD 3.33Å; R103-I244 HydrophobicContact CG-CD1 3.85Å; R103-I244 HydrophobicContact CG-CG1 3.85Å |
| 104 | H | 97.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | trans | -123.3 | 76.7 | -174.6 | -61.1 | 95.6 | 0 | 0 | 0 | 111.1 | E100 L101 E106 I107 Q108 F195 | E100-H104 WeakPolarHBondContact O-CB 3.32Å; E100-H104 PolarHBondContact O-N 3.44Å; E100-H104 PolarHBondContact O-ND1 2.99Å; E100-H104 IonicContact OE2-CE1 3.85Å; E100-H104 PolarHBondContact OE2-CE1 3.3Å; E100-H104 IonicContact OE2-ND1 3.54Å; E100-H104 PolarHBondContact OE2-ND1 3.47Å; L101-H104 CarbonylContact O-C 3.58Å; H104-E106 WeakPolarHBondContact CB-OE1 3.38Å; H104-E106 IonicContact CD2-OE1 3.54Å; H104-E106 IonicContact CG-OE1 2.87Å; H104-E106 PolarHBondContact O-N 2.94Å; H104-I107 HydrophobicContact CB-CB 3.85Å; H104-I107 HydrophobicContact CB-CD1 3.74Å; H104-I107 HydrophobicContact CB-CG1 3.99Å; H104-I107 PolarHBondContact O-N 2.6Å; H104-I107 VanDerWaalsContact O-N 3.11Å; H104-Q108 PolarHBondContact O-N 2.79Å; H104-F195 AromaticContact ND1-CD1 3.83Å | ||
| 105 | P | 97.4 | Very high | 96.2 | Very high | 77 Ų | 77 | 30.3 Ų | 30.3 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.2 | -33 | -177.1 | -25.8 | 35.1 | 0 | 0 | 0 | 114.3 | R103 Q108 E109 | R103-P105 WeakPolarHBondContact O-CD 3.33Å; P105-Q108 WeakPolarHBondContact O-CB 3.48Å; P105-Q108 PolarHBondContact O-N 2.88Å; P105-E109 PolarHBondContact O-N 2.91Å |
| 106 | E | 98.1 | Very high | 96.4 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 53% | 0.533 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.4 | -43 | 176.3 | 68.6 | -63.6 | 151.3 | 0 | 0 | 112.4 | H104 Q108 E109 K110 | H104-E106 WeakPolarHBondContact CB-OE1 3.38Å; H104-E106 IonicContact CD2-OE1 3.54Å; H104-E106 IonicContact CG-OE1 2.87Å; H104-E106 PolarHBondContact O-N 2.94Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-E109 PolarHBondContact O-N 3.45Å; E106-K110 WeakPolarHBondContact O-CB 3.31Å; E106-K110 PolarHBondContact O-N 3.41Å |
| 107 | I | 98.5 | Very high | 96.3 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 173.6 | -66.3 | 175.8 | 0 | 0 | 0 | 109.9 | L101 H104 K110 L111 Y134 V138 F195 P197 | L101-I107 HydrophobicContact CD2-CG2 4.11Å; H104-I107 HydrophobicContact CB-CB 3.85Å; H104-I107 HydrophobicContact CB-CD1 3.74Å; H104-I107 HydrophobicContact CB-CG1 3.99Å; H104-I107 PolarHBondContact O-N 2.6Å; H104-I107 VanDerWaalsContact O-N 3.11Å; I107-K110 PolarHBondContact O-N 3.05Å; I107-L111 WeakPolarHBondContact O-CB 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; I107-Y134 HydrophobicContact CG2-CE1 4.33Å; I107-V138 HydrophobicContact CG2-CG2 4.08Å; I107-F195 HydrophobicContact CD1-CD1 3.78Å; I107-F195 HydrophobicContact CD1-CE1 4.19Å; I107-F195 HydrophobicContact CG2-CE1 4.09Å; I107-P197 HydrophobicContact CD1-CG 3.99Å; I107-P197 HydrophobicContact CG2-CG 3.85Å |
| 108 | Q | 98.4 | Very high | 96 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.9 | -166.3 | -172.6 | 144.7 | 0 | 0 | 112.1 | L101 H104 P105 E106 L111 R112 L237 I242 | L101-Q108 HydrophobicContact CB-CB 4.42Å; L101-Q108 HydrophobicContact CB-CG 4.26Å; L101-Q108 HydrophobicContact CD2-CB 4.22Å; L101-Q108 HydrophobicContact CD2-CG 4.42Å; L101-Q108 WeakPolarHBondContact O-CB 3.46Å; L101-Q108 PolarHBondContact O-NE2 3.3Å; H104-Q108 PolarHBondContact O-N 2.79Å; P105-Q108 WeakPolarHBondContact O-CB 3.48Å; P105-Q108 PolarHBondContact O-N 2.88Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; Q108-L111 PolarHBondContact O-N 3.38Å; Q108-R112 WeakPolarHBondContact O-CB 3.34Å; Q108-R112 PolarHBondContact O-N 2.74Å; Q108-L237 HydrophobicContact CG-CD2 3.68Å; Q108-I242 PolarHBondContact NE2-O 2.98Å |
| 109 | E | 97.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.5 | -40.7 | 179 | -166.7 | 62.4 | -143.3 | 0 | 0 | 111.2 | P105 E106 L111 R112 S113 R241 | P105-E109 PolarHBondContact O-N 2.91Å; E106-E109 PolarHBondContact O-N 3.45Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.75Å; E109-R112 CarbonylContact O-C 3.6Å; E109-R112 WeakPolarHBondContact O-CB 3.48Å; E109-R112 PolarHBondContact O-N 2.8Å; E109-R112 VanDerWaalsContact O-N 3.13Å; E109-R112 IonicContact OE1-CZ 3.78Å; E109-R112 IonicContact OE1-NE 2.96Å; E109-R112 PolarHBondContact OE1-NE 2.72Å; E109-R112 IonicContact OE1-NH2 2.73Å; E109-R112 PolarHBondContact OE1-NH2 3.29Å; E109-R112 IonicContact OE2-NE 3.38Å; E109-S113 PolarHBondContact O-N 2.8Å; E109-S113 PolarHBondContact O-OG 3.23Å; E109-R241 IonicContact OE2-CZ 3.52Å; E109-R241 IonicContact OE2-NE 3.48Å; E109-R241 IonicContact OE2-NH2 2.63Å; E109-R241 PolarHBondContact OE2-NH2 3.13Å |
| 110 | K | 98.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.2 | -177.7 | 172.5 | 169.2 | -173.1 | 0 | 112 | E106 I107 S113 E114 Y134 E198 | E106-K110 WeakPolarHBondContact O-CB 3.31Å; E106-K110 PolarHBondContact O-N 3.41Å; I107-K110 PolarHBondContact O-N 3.05Å; K110-S113 PolarHBondContact O-N 3.33Å; K110-E114 PolarHBondContact O-N 3.3Å; K110-Y134 HydrophobicContact CB-CE1 3.87Å; K110-Y134 HydrophobicContact CD-CE1 3.88Å; K110-Y134 HydrophobicContact CD-CE2 3.93Å; K110-Y134 VanDerWaalsContact CE-CE2 3.46Å; K110-Y134 HydrophobicContact CG-CD1 4.02Å; K110-Y134 HydrophobicContact CG-CE1 3.62Å; K110-Y134 HydrophobicContact CG-CE2 4.45Å; K110-E198 IonicContact NZ-OE1 3.85Å; K110-E198 PolarHBondContact NZ-OE1 3.16Å |
| 111 | L | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.2 | 177.4 | 57.4 | 0 | 0 | 0 | 111.8 | L101 I107 Q108 E109 S113 E114 I115 Y134 L135 V138 L237 | L101-L111 HydrophobicContact CD1-CD2 4.15Å; L101-L111 HydrophobicContact CD2-CD2 3.92Å; I107-L111 WeakPolarHBondContact O-CB 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; Q108-L111 PolarHBondContact O-N 3.38Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.75Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.92Å; L111-E114 PolarHBondContact O-N 2.98Å; L111-I115 HydrophobicContact CD1-CD1 3.98Å; L111-I115 HydrophobicContact CD1-CG1 4.22Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 3.76Å; L111-I115 HydrophobicContact CG-CG1 4.48Å; L111-I115 WeakPolarHBondContact O-CD1 3.28Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 2.86Å; L111-Y134 HydrophobicContact CB-CD1 3.85Å; L111-Y134 HydrophobicContact CB-CE1 3.94Å; L111-Y134 HydrophobicContact CD1-CD1 4.13Å; L111-L135 VanDerWaalsContact CD1-CA 3.49Å; L111-L135 HydrophobicContact CD1-CB 3.73Å; L111-L135 HydrophobicContact CD1-CD1 3.96Å; L111-L135 HydrophobicContact CD1-CG 4.43Å; L111-L135 HydrophobicContact CD2-CD1 4.11Å; L111-V138 HydrophobicContact CD2-CB 4.24Å; L111-V138 HydrophobicContact CD2-CG1 4.04Å; L111-V138 HydrophobicContact CD2-CG2 4.1Å; L111-L237 HydrophobicContact CB-CD1 4.4Å; L111-L237 HydrophobicContact CD2-CD1 3.44Å; L111-L237 VanDerWaalsContact CD2-CD1 3.44Å; L111-L237 HydrophobicContact CG-CD1 3.74Å |
| 112 | R | 96.3 | Very high | 92.1 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.3 | -164.9 | -177.2 | 85.4 | 89.9 | 4.7 | 111.5 | Q108 E109 I115 M116 L237 | Q108-R112 WeakPolarHBondContact O-CB 3.34Å; Q108-R112 PolarHBondContact O-N 2.74Å; E109-R112 CarbonylContact O-C 3.6Å; E109-R112 WeakPolarHBondContact O-CB 3.48Å; E109-R112 PolarHBondContact O-N 2.8Å; E109-R112 VanDerWaalsContact O-N 3.13Å; E109-R112 IonicContact OE1-CZ 3.78Å; E109-R112 IonicContact OE1-NE 2.96Å; E109-R112 PolarHBondContact OE1-NE 2.72Å; E109-R112 IonicContact OE1-NH2 2.73Å; E109-R112 PolarHBondContact OE1-NH2 3.29Å; E109-R112 IonicContact OE2-NE 3.38Å; R112-I115 PolarHBondContact O-N 3.48Å; R112-I115 VanDerWaalsContact O-N 3.16Å; R112-M116 HydrophobicContact CG-CG 4.28Å; R112-M116 WeakPolarHBondContact O-CB 3.34Å; R112-M116 VanDerWaalsContact O-CG 3.28Å; R112-M116 WeakPolarHBondContact O-CG 3.2Å; R112-M116 PolarHBondContact O-N 2.96Å; R112-L237 VanDerWaalsContact CD-O 3.31Å; R112-L237 WeakPolarHBondContact CD-O 3.42Å; R112-L237 VanDerWaalsContact CG-O 3.29Å; R112-L237 WeakPolarHBondContact CG-O 3.4Å |
| 113 | S | 96.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 176.2 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | E109 K110 L111 I115 M116 D117 | E109-S113 PolarHBondContact O-N 2.8Å; E109-S113 PolarHBondContact O-OG 3.23Å; K110-S113 PolarHBondContact O-N 3.33Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.92Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.29Å; S113-M116 PolarHBondContact O-N 3.36Å; S113-D117 PolarHBondContact O-N 2.95Å |
| 114 | E | 96.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 66 Ų | 66 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 174.9 | -177.6 | -174.5 | -123.8 | 0 | 0 | 111.3 | K110 L111 M116 D117 Y118 M132 V133 Y134 L135 | K110-E114 PolarHBondContact O-N 3.3Å; L111-E114 PolarHBondContact O-N 2.98Å; E114-M116 VanDerWaalsContact C-N 3.33Å; E114-M116 PolarHBondContact O-N 2.61Å; E114-D117 PolarHBondContact O-N 3.43Å; E114-Y118 HydrophobicContact CG-CD2 4.32Å; E114-Y118 HydrophobicContact CG-CE2 4.25Å; E114-Y118 WeakPolarHBondContact O-CD2 3.15Å; E114-Y118 PolarHBondContact O-N 3.37Å; E114-M132 WeakPolarHBondContact OE2-CB 3.43Å; E114-V133 PolarHBondContact OE1-N 2.83Å; E114-Y134 PolarHBondContact OE1-N 3.15Å; E114-Y134 WeakPolarHBondContact OE2-CB 3.16Å; E114-Y134 PolarHBondContact OE2-N 3.24Å; E114-L135 PolarHBondContact OE2-N 3.2Å |
| 115 | I | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | -179.8 | -67.1 | 159.2 | 0 | 0 | 0 | 111.4 | L111 R112 S113 Y118 H119 M132 A234 L237 R238 | L111-I115 HydrophobicContact CD1-CD1 3.98Å; L111-I115 HydrophobicContact CD1-CG1 4.22Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 3.76Å; L111-I115 HydrophobicContact CG-CG1 4.48Å; L111-I115 WeakPolarHBondContact O-CD1 3.28Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 2.86Å; R112-I115 PolarHBondContact O-N 3.48Å; R112-I115 VanDerWaalsContact O-N 3.16Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.29Å; I115-Y118 PolarHBondContact O-N 2.93Å; I115-H119 WeakPolarHBondContact O-CB 3.37Å; I115-H119 PolarHBondContact O-N 2.87Å; I115-H119 PolarHBondContact O-ND1 3.48Å; I115-M132 HydrophobicContact CB-CE 4.37Å; I115-M132 HydrophobicContact CG1-CE 4.29Å; I115-M132 HydrophobicContact CG1-SD 4.28Å; I115-M132 HydrophobicContact CG2-CE 4.39Å; I115-A234 HydrophobicContact CG1-CB 4.45Å; I115-A234 HydrophobicContact CG2-CB 4.26Å; I115-L237 HydrophobicContact CD1-CB 3.87Å; I115-L237 HydrophobicContact CD1-CD1 3.81Å; I115-L237 HydrophobicContact CD1-CG 4.45Å; I115-R238 HydrophobicContact CG2-CG 3.4Å; I115-R238 VanDerWaalsContact CG2-CG 3.4Å |
| 116 | M | 93.7 | Very high | 89.7 | Confident | 49 Ų | 49 | 65 Ų | 65 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.9 | -31.6 | -179.3 | -68.4 | -54.4 | -60.8 | 0 | 0 | 112.6 | R112 S113 E114 Y118 H119 K120 R238 | R112-M116 HydrophobicContact CG-CG 4.28Å; R112-M116 WeakPolarHBondContact O-CB 3.34Å; R112-M116 VanDerWaalsContact O-CG 3.28Å; R112-M116 WeakPolarHBondContact O-CG 3.2Å; R112-M116 PolarHBondContact O-N 2.96Å; S113-M116 PolarHBondContact O-N 3.36Å; E114-M116 VanDerWaalsContact C-N 3.33Å; E114-M116 PolarHBondContact O-N 2.61Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 3.45Å; M116-H119 CarbonylContact O-C 3.54Å; M116-H119 PolarHBondContact O-N 3.49Å; M116-K120 VanDerWaalsContact O-CG 3.3Å; M116-K120 WeakPolarHBondContact O-CG 3.48Å; M116-K120 PolarHBondContact O-N 3.15Å; M116-K120 VanDerWaalsContact O-N 3.12Å; M116-R238 HydrophobicContact SD-CB 4.35Å; M116-R238 HydrophobicContact SD-CG 3.92Å |
| 117 | D | 92.7 | Very high | 89.2 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 175.2 | -74.5 | -18.9 | 0 | 0 | 0 | 111.8 | S113 E114 | S113-D117 PolarHBondContact O-N 2.95Å; E114-D117 PolarHBondContact O-N 3.43Å |
| 118 | Y | 87.1 | Confident | 88.8 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -79.4 | -26.7 | 174.3 | -78.9 | -82.3 | 0 | 0 | 0 | 113.8 | E114 I115 M116 R131 M132 | E114-Y118 HydrophobicContact CG-CD2 4.32Å; E114-Y118 HydrophobicContact CG-CE2 4.25Å; E114-Y118 WeakPolarHBondContact O-CD2 3.15Å; E114-Y118 PolarHBondContact O-N 3.37Å; I115-Y118 PolarHBondContact O-N 2.93Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 3.45Å; Y118-R131 HydrophobicContact CE1-CB 3.86Å; Y118-R131 PolarHBondContact OH-O 3.34Å; Y118-M132 HydrophobicContact CD2-CE 3.85Å; Y118-M132 HydrophobicContact CD2-CG 3.88Å; Y118-M132 HydrophobicContact CE2-CG 4.07Å; Y118-M132 HydrophobicContact CG-CE 3.9Å; Y118-M132 HydrophobicContact CG-CG 4.47Å |
| 119 | H | 79.2 | Confident | 88.4 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | trans | -141.4 | 52.5 | -163.3 | -60.8 | 104.7 | 0 | 0 | 0 | 114.4 | I115 M116 N121 E122 P124 S128 M132 R238 | I115-H119 WeakPolarHBondContact O-CB 3.37Å; I115-H119 PolarHBondContact O-N 2.87Å; I115-H119 PolarHBondContact O-ND1 3.48Å; M116-H119 CarbonylContact O-C 3.54Å; M116-H119 PolarHBondContact O-N 3.49Å; H119-N121 PolarHBondContact O-N 3.19Å; H119-E122 WeakPolarHBondContact CB-O 3.18Å; H119-P124 WeakPolarHBondContact NE2-CA 3.49Å; H119-S128 WeakPolarHBondContact CE1-CB 3.28Å; H119-S128 PolarHBondContact CE1-OG 2.94Å; H119-S128 WeakPolarHBondContact NE2-CB 3.31Å; H119-S128 PolarHBondContact NE2-OG 2.98Å; H119-M132 WeakPolarHBondContact CE1-CE 3.29Å; H119-M132 WeakPolarHBondContact ND1-CE 3.18Å; H119-R238 PolarHBondContact O-NE 2.99Å; H119-R238 PolarHBondContact O-NH2 2.8Å; H119-R238 VanDerWaalsContact O-NH2 3.11Å | ||
| 120 | K | 72.7 | Confident | 88.1 | Confident | 153 Ų | 153 | 64.7 Ų | 64.7 | 67% | 0.665 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -48.9 | -58.9 | 174.5 | -69.9 | -172.5 | 178.8 | 179 | 0 | 111.1 | M116 | M116-K120 VanDerWaalsContact O-CG 3.3Å; M116-K120 WeakPolarHBondContact O-CG 3.48Å; M116-K120 PolarHBondContact O-N 3.15Å; M116-K120 VanDerWaalsContact O-N 3.12Å |
| 121 | N | 71.5 | Confident | 87.9 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 84% | 0.84 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -119.8 | -10.1 | -177.2 | -63.4 | -24.1 | 0 | 0 | 0 | 114.1 | H119 | H119-N121 PolarHBondContact O-N 3.19Š|
| 122 | E | 77.4 | Confident | 87.7 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 67% | 0.673 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -93.6 | 147.5 | -175.9 | -64.7 | -176.2 | -179 | 0 | 0 | 112.1 | H119 R238 | H119-E122 WeakPolarHBondContact CB-O 3.18Å; E122-R238 PolarHBondContact O-NH1 2.93Å; E122-R238 PolarHBondContact O-NH2 3.43Å |
| 123 | K | 80.8 | Confident | 87.7 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -71 | 143 | 174.7 | -70.3 | -179 | 171 | -157.6 | 0 | 110.1 | D70 D72 S125 | D70-K123 IonicContact OD1-NZ 2.8Å; D72-K123 VanDerWaalsContact OD2-CD 3.26Å; D72-K123 WeakPolarHBondContact OD2-CD 3.4Å; D72-K123 WeakPolarHBondContact OD2-CE 3.18Å; D72-K123 IonicContact OD2-NZ 2.74Å; D72-K123 PolarHBondContact OD2-NZ 3.28Å; K123-S125 PolarHBondContact O-N 3.03Å |
| 124 | P | 85.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 122.6 | 170.9 | -28.1 | 36.2 | 0 | 0 | 0 | 112.4 | H119 V129 L231 A234 R235 | H119-P124 WeakPolarHBondContact NE2-CA 3.49Å; P124-V129 HydrophobicContact CB-CG1 3.88Å; P124-L231 HydrophobicContact CB-CD2 4.15Å; P124-A234 HydrophobicContact CB-CB 3.91Å; P124-A234 HydrophobicContact CG-CB 3.72Å; P124-R235 HydrophobicContact CB-CG 4.4Å; P124-R235 HydrophobicContact CG-CG 3.96Å; P124-R235 PolarHBondContact O-NH2 3.42Å |
| 125 | S | 83.5 | Confident | 87.7 | Confident | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 169.2 | 176.8 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | K123 S128 V129 | K123-S125 PolarHBondContact O-N 3.03Å; S125-S128 PolarHBondContact N-OG 3.49Å; S125-S128 PolarHBondContact O-OG 3.01Å; S125-S128 WeakPolarHBondContact OG-CB 3.31Å; S125-S128 PolarHBondContact OG-N 2.92Å; S125-S128 VanDerWaalsContact OG-N 3.09Å; S125-S128 PolarHBondContact OG-OG 3.25Å; S125-V129 WeakPolarHBondContact O-CG2 3.33Å; S125-V129 PolarHBondContact O-N 3.19Å |
| 126 | Y | 86.4 | Confident | 87.8 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.1 | -52 | 171.7 | 173.7 | -88.2 | 0 | 0 | 0 | 110.8 | T60 K64 S128 V129 Q130 L227 | T60-Y126 WeakPolarHBondContact CG2-OH 3.3Å; K64-Y126 HydrophobicContact CD-CD1 4.14Å; K64-Y126 HydrophobicContact CD-CE1 4.28Å; K64-Y126 HydrophobicContact CG-CD1 3.82Å; K64-Y126 HydrophobicContact CG-CD2 4.11Å; K64-Y126 HydrophobicContact CG-CE1 4.01Å; K64-Y126 HydrophobicContact CG-CE2 4.28Å; K64-Y126 HydrophobicContact CG-CG 3.89Å; Y126-S128 VanDerWaalsContact C-N 3.33Å; Y126-S128 PolarHBondContact O-N 3.25Å; Y126-V129 WeakPolarHBondContact O-CG2 3.4Å; Y126-Q130 HydrophobicContact CD1-CG 4.42Å; Y126-Q130 HydrophobicContact CE1-CG 4.03Å; Y126-Q130 HydrophobicContact CE2-CG 4.45Å; Y126-Q130 VanDerWaalsContact O-CG 3.23Å; Y126-Q130 WeakPolarHBondContact O-CG 3.37Å; Y126-Q130 PolarHBondContact O-N 3.4Å; Y126-L227 HydrophobicContact CD2-CD1 3.6Å; Y126-L227 HydrophobicContact CD2-CD2 3.51Å; Y126-L227 HydrophobicContact CD2-CG 4.22Å; Y126-L227 HydrophobicContact CE2-CD1 4.03Å; Y126-L227 HydrophobicContact CE2-CD2 3.7Å; Y126-L227 HydrophobicContact CE2-CG 4.48Å |
| 127 | E | 87 | Confident | 87.9 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | -174.2 | -72.3 | 69.2 | -156 | 0 | 0 | 112.8 | K64 R131 | K64-E127 WeakPolarHBondContact CE-OE1 3.09Å; K64-E127 IonicContact NZ-OE1 3.78Å; K64-E127 PolarHBondContact NZ-OE1 3.31Å; E127-R131 PolarHBondContact O-NE 2.89Å |
| 128 | S | 89.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.2 | -43.3 | -176.9 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | H119 S125 Y126 Q130 R131 | H119-S128 WeakPolarHBondContact CE1-CB 3.28Å; H119-S128 PolarHBondContact CE1-OG 2.94Å; H119-S128 WeakPolarHBondContact NE2-CB 3.31Å; H119-S128 PolarHBondContact NE2-OG 2.98Å; S125-S128 PolarHBondContact N-OG 3.49Å; S125-S128 PolarHBondContact O-OG 3.01Å; S125-S128 WeakPolarHBondContact OG-CB 3.31Å; S125-S128 PolarHBondContact OG-N 2.92Å; S125-S128 VanDerWaalsContact OG-N 3.09Å; S125-S128 PolarHBondContact OG-OG 3.25Å; Y126-S128 VanDerWaalsContact C-N 3.33Å; Y126-S128 PolarHBondContact O-N 3.25Å; S128-Q130 PolarHBondContact O-N 2.59Å; S128-R131 PolarHBondContact O-N 3.39Å |
| 129 | V | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -19.9 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | P124 S125 Y126 R131 M132 L135 L227 K230 L231 A234 | P124-V129 HydrophobicContact CB-CG1 3.88Å; S125-V129 WeakPolarHBondContact O-CG2 3.33Å; S125-V129 PolarHBondContact O-N 3.19Å; Y126-V129 WeakPolarHBondContact O-CG2 3.4Å; V129-R131 PolarHBondContact O-N 3.11Å; V129-M132 HydrophobicContact CB-SD 4.28Å; V129-M132 HydrophobicContact CG1-SD 4.11Å; V129-L135 HydrophobicContact CB-CD2 4.37Å; V129-L227 HydrophobicContact CG2-CD1 3.9Å; V129-K230 HydrophobicContact CB-CB 3.98Å; V129-K230 HydrophobicContact CB-CD 4.39Å; V129-K230 HydrophobicContact CG2-CB 3.92Å; V129-K230 HydrophobicContact CG2-CD 4.21Å; V129-K230 PolarHBondContact O-NZ 3.18Å; V129-L231 HydrophobicContact CB-CD2 4.49Å; V129-L231 HydrophobicContact CG1-CD2 3.8Å; V129-L231 HydrophobicContact CG2-CD2 3.88Å; V129-L231 HydrophobicContact CG2-CG 4.11Å; V129-A234 HydrophobicContact CG1-CB 4.07Å |
| 130 | Q | 91 | Very high | 89.4 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.4 | 171.8 | -66.9 | -63.7 | -68 | 0 | 0 | 112.9 | Y126 S128 | Y126-Q130 HydrophobicContact CD1-CG 4.42Å; Y126-Q130 HydrophobicContact CE1-CG 4.03Å; Y126-Q130 HydrophobicContact CE2-CG 4.45Å; Y126-Q130 VanDerWaalsContact O-CG 3.23Å; Y126-Q130 WeakPolarHBondContact O-CG 3.37Å; Y126-Q130 PolarHBondContact O-N 3.4Å; S128-Q130 PolarHBondContact O-N 2.59Å |
| 131 | R | 93 | Very high | 90.6 | Very high | 146 Ų | 146 | 53.6 Ų | 53.6 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6 | 179.6 | -66.3 | -178.7 | -76.1 | 173.7 | 0.7 | 113.8 | Y118 E127 S128 V129 V133 | Y118-R131 HydrophobicContact CE1-CB 3.86Å; Y118-R131 PolarHBondContact OH-O 3.34Å; E127-R131 PolarHBondContact O-NE 2.89Å; S128-R131 PolarHBondContact O-N 3.39Å; V129-R131 PolarHBondContact O-N 3.11Å; R131-V133 PolarHBondContact O-N 3.29Å |
| 132 | M | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -83.3 | 103.9 | -177.8 | -68.8 | 174.5 | 164.3 | 0 | 0 | 110.3 | E114 I115 Y118 H119 V129 L135 D136 | E114-M132 WeakPolarHBondContact OE2-CB 3.43Å; I115-M132 HydrophobicContact CB-CE 4.37Å; I115-M132 HydrophobicContact CG1-CE 4.29Å; I115-M132 HydrophobicContact CG1-SD 4.28Å; I115-M132 HydrophobicContact CG2-CE 4.39Å; Y118-M132 HydrophobicContact CD2-CE 3.85Å; Y118-M132 HydrophobicContact CD2-CG 3.88Å; Y118-M132 HydrophobicContact CE2-CG 4.07Å; Y118-M132 HydrophobicContact CG-CE 3.9Å; Y118-M132 HydrophobicContact CG-CG 4.47Å; H119-M132 WeakPolarHBondContact CE1-CE 3.29Å; H119-M132 WeakPolarHBondContact ND1-CE 3.18Å; V129-M132 HydrophobicContact CB-SD 4.28Å; V129-M132 HydrophobicContact CG1-SD 4.11Å; M132-L135 HydrophobicContact CB-CB 3.59Å; M132-L135 HydrophobicContact CB-CD2 4.01Å; M132-L135 HydrophobicContact CB-CG 4.45Å; M132-L135 HydrophobicContact CG-CD2 4.48Å; M132-L135 HydrophobicContact SD-CD2 3.62Å; M132-D136 PolarHBondContact O-N 2.79Å | ||
| 133 | V | 95 | Very high | 92.7 | Very high | 101 Ų | 101 | 39.6 Ų | 39.6 | 61% | 0.612 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -75.5 | -43.8 | -173.7 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | E114 R131 D136 C137 | E114-V133 PolarHBondContact OE1-N 2.83Å; R131-V133 PolarHBondContact O-N 3.29Å; V133-D136 VanDerWaalsContact O-CB 3.32Å; V133-D136 WeakPolarHBondContact O-CB 3.45Å; V133-D136 PolarHBondContact O-N 3.44Å; V133-D136 VanDerWaalsContact O-N 3.17Å; V133-C137 PolarHBondContact O-N 2.85Å |
| 134 | Y | 97.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.7 | -33.4 | -178.2 | -164.8 | -110 | 0 | 0 | 0 | 111.9 | I107 K110 L111 E114 D136 C137 V138 P197 E198 | I107-Y134 HydrophobicContact CG2-CE1 4.33Å; K110-Y134 HydrophobicContact CB-CE1 3.87Å; K110-Y134 HydrophobicContact CD-CE1 3.88Å; K110-Y134 HydrophobicContact CD-CE2 3.93Å; K110-Y134 VanDerWaalsContact CE-CE2 3.46Å; K110-Y134 HydrophobicContact CG-CD1 4.02Å; K110-Y134 HydrophobicContact CG-CE1 3.62Å; K110-Y134 HydrophobicContact CG-CE2 4.45Å; L111-Y134 HydrophobicContact CB-CD1 3.85Å; L111-Y134 HydrophobicContact CB-CE1 3.94Å; L111-Y134 HydrophobicContact CD1-CD1 4.13Å; E114-Y134 PolarHBondContact OE1-N 3.15Å; E114-Y134 WeakPolarHBondContact OE2-CB 3.16Å; E114-Y134 PolarHBondContact OE2-N 3.24Å; Y134-D136 VanDerWaalsContact C-N 3.28Å; Y134-D136 PolarHBondContact O-N 3.44Å; Y134-C137 HydrophobicContact CD2-CB 4.22Å; Y134-C137 VanDerWaalsContact O-CB 3.3Å; Y134-C137 WeakPolarHBondContact O-CB 3.5Å; Y134-C137 PolarHBondContact O-N 3.41Å; Y134-V138 HydrophobicContact CD1-CG2 4.24Å; Y134-V138 HydrophobicContact CE1-CG2 3.96Å; Y134-V138 WeakPolarHBondContact O-CG2 3.24Å; Y134-V138 PolarHBondContact O-N 3.21Å; Y134-P197 HydrophobicContact CE2-CB 3.97Å; Y134-E198 HydrophobicContact CE2-CG 4.43Å; Y134-E198 VanDerWaalsContact CE2-OE1 3.31Å; Y134-E198 WeakPolarHBondContact CE2-OE1 3.44Å; Y134-E198 PolarHBondContact OH-OE1 2.74Å |
| 135 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 167.6 | -178.5 | 59.5 | 0 | 0 | 0 | 112.1 | L111 E114 V129 M132 I139 K230 L233 | L111-L135 VanDerWaalsContact CD1-CA 3.49Å; L111-L135 HydrophobicContact CD1-CB 3.73Å; L111-L135 HydrophobicContact CD1-CD1 3.96Å; L111-L135 HydrophobicContact CD1-CG 4.43Å; L111-L135 HydrophobicContact CD2-CD1 4.11Å; E114-L135 PolarHBondContact OE2-N 3.2Å; V129-L135 HydrophobicContact CB-CD2 4.37Å; M132-L135 HydrophobicContact CB-CB 3.59Å; M132-L135 HydrophobicContact CB-CD2 4.01Å; M132-L135 HydrophobicContact CB-CG 4.45Å; M132-L135 HydrophobicContact CG-CD2 4.48Å; M132-L135 HydrophobicContact SD-CD2 3.62Å; L135-I139 HydrophobicContact CD1-CD1 3.98Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CG-CD1 4.05Å; L135-I139 VanDerWaalsContact O-CG1 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.07Å; L135-I139 VanDerWaalsContact O-N 3.1Å; L135-K230 HydrophobicContact CD2-CB 3.85Å; L135-K230 HydrophobicContact CD2-CG 3.83Å; L135-K230 HydrophobicContact CG-CG 4.08Å; L135-L233 HydrophobicContact CD1-CB 3.92Å; L135-L233 HydrophobicContact CD1-CD1 3.96Å |
| 136 | D | 95.9 | Very high | 94.4 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 25% | 0.246 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.7 | -90.8 | -41.3 | 0 | 0 | 0 | 111.6 | M132 V133 Y134 V138 I139 R140 K230 | M132-D136 PolarHBondContact O-N 2.79Å; V133-D136 VanDerWaalsContact O-CB 3.32Å; V133-D136 WeakPolarHBondContact O-CB 3.45Å; V133-D136 PolarHBondContact O-N 3.44Å; V133-D136 VanDerWaalsContact O-N 3.17Å; Y134-D136 VanDerWaalsContact C-N 3.28Å; Y134-D136 PolarHBondContact O-N 3.44Å; D136-V138 PolarHBondContact O-N 3.03Å; D136-I139 PolarHBondContact O-N 2.88Å; D136-R140 WeakPolarHBondContact O-CB 3.45Å; D136-R140 WeakPolarHBondContact O-CG 3.23Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-K230 VanDerWaalsContact CG-CE 3.48Å; D136-K230 WeakPolarHBondContact OD1-CE 3.29Å; D136-K230 IonicContact OD1-NZ 3.19Å; D136-K230 PolarHBondContact OD1-NZ 3.22Å; D136-K230 IonicContact OD2-NZ 3.02Å; D136-K230 PolarHBondContact OD2-NZ 3.29Å |
| 137 | C | 96.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 24% | 0.243 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.4 | -53.8 | 174.4 | -79.2 | 0 | 0 | 0 | 0 | 112.1 | V133 Y134 I139 R140 E141 P197 | V133-C137 PolarHBondContact O-N 2.85Å; Y134-C137 HydrophobicContact CD2-CB 4.22Å; Y134-C137 VanDerWaalsContact O-CB 3.3Å; Y134-C137 WeakPolarHBondContact O-CB 3.5Å; Y134-C137 PolarHBondContact O-N 3.41Å; C137-I139 PolarHBondContact O-N 3.32Å; C137-R140 PolarHBondContact O-N 2.91Å; C137-E141 WeakPolarHBondContact O-CB 3.33Å; C137-E141 PolarHBondContact O-N 2.82Å; C137-P197 HydrophobicContact CB-CB 3.96Å; C137-P197 WeakPolarHBondContact CB-O 3.4Å; C137-P197 PolarHBondContact SG-O 3.37Å; C137-P197 VanDerWaalsContact SG-O 3.4Å |
| 138 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | -179.6 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | L101 I107 L111 Y134 D136 T142 F195 P197 | L101-V138 HydrophobicContact CD1-CG1 4.35Å; L101-V138 HydrophobicContact CD2-CG1 4.05Å; L101-V138 HydrophobicContact CG-CG1 4.25Å; I107-V138 HydrophobicContact CG2-CG2 4.08Å; L111-V138 HydrophobicContact CD2-CB 4.24Å; L111-V138 HydrophobicContact CD2-CG1 4.04Å; L111-V138 HydrophobicContact CD2-CG2 4.1Å; Y134-V138 HydrophobicContact CD1-CG2 4.24Å; Y134-V138 HydrophobicContact CE1-CG2 3.96Å; Y134-V138 WeakPolarHBondContact O-CG2 3.24Å; Y134-V138 PolarHBondContact O-N 3.21Å; D136-V138 PolarHBondContact O-N 3.03Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.35Å; V138-T142 PolarHBondContact O-OG1 2.75Å; V138-F195 HydrophobicContact CG1-CZ 4.11Å; V138-P197 HydrophobicContact CG2-CB 4.02Å; V138-P197 HydrophobicContact CG2-CG 3.96Å |
| 139 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 179.5 | -70.4 | 170.2 | 0 | 0 | 0 | 110.9 | L135 D136 C137 E141 T142 L143 L226 M229 K230 L233 | L135-I139 HydrophobicContact CD1-CD1 3.98Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CG-CD1 4.05Å; L135-I139 VanDerWaalsContact O-CG1 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.07Å; L135-I139 VanDerWaalsContact O-N 3.1Å; D136-I139 PolarHBondContact O-N 2.88Å; C137-I139 PolarHBondContact O-N 3.32Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-T142 WeakPolarHBondContact O-CB 3.48Å; I139-T142 PolarHBondContact O-N 3.07Å; I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 WeakPolarHBondContact O-CG 3.25Å; I139-L143 PolarHBondContact O-N 3.48Å; I139-L226 HydrophobicContact CG2-CD2 3.56Å; I139-M229 HydrophobicContact CB-CE 4.41Å; I139-M229 HydrophobicContact CD1-CB 3.88Å; I139-M229 HydrophobicContact CG1-CB 4.31Å; I139-M229 HydrophobicContact CG1-CE 4.22Å; I139-M229 HydrophobicContact CG2-CE 3.79Å; I139-M229 HydrophobicContact CG2-SD 3.99Å; I139-K230 HydrophobicContact CD1-CB 4.21Å; I139-K230 HydrophobicContact CD1-CG 3.4Å; I139-K230 VanDerWaalsContact CD1-CG 3.4Å; I139-L233 HydrophobicContact CD1-CD1 4.18Å; I139-L233 HydrophobicContact CG1-CD1 3.82Å |
| 140 | R | 95.9 | Very high | 95.1 | Very high | 77 Ų | 77 | 29.3 Ų | 29.3 | 29% | 0.291 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | -179.4 | -73.1 | 179.9 | 76.9 | 172 | -3.4 | 111.2 | D136 C137 L143 R144 L201 W209 | D136-R140 WeakPolarHBondContact O-CB 3.45Å; D136-R140 WeakPolarHBondContact O-CG 3.23Å; D136-R140 PolarHBondContact O-N 2.97Å; C137-R140 PolarHBondContact O-N 2.91Å; R140-L143 PolarHBondContact O-N 2.71Å; R140-R144 PolarHBondContact O-N 3.22Å; R140-L201 HydrophobicContact CB-CD1 4.22Å; R140-W209 HydrophobicContact CB-CZ2 4Å; R140-W209 HydrophobicContact CG-CH2 4.26Å; R140-W209 HydrophobicContact CG-CZ2 3.84Å; R140-W209 PolarHBondContact O-NE1 3.29Å |
| 141 | E | 97.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -38.8 | 178.6 | -175.1 | 65.3 | 176.9 | 0 | 0 | 112.1 | C137 I139 L143 R144 L145 F195 V196 H199 | C137-E141 WeakPolarHBondContact O-CB 3.33Å; C137-E141 PolarHBondContact O-N 2.82Å; I139-E141 VanDerWaalsContact C-N 3.33Å; E141-L143 VanDerWaalsContact C-N 3.28Å; E141-L143 PolarHBondContact O-N 2.8Å; E141-R144 VanDerWaalsContact CD-NE 3.32Å; E141-R144 WeakPolarHBondContact O-CB 3.29Å; E141-R144 PolarHBondContact O-N 3.25Å; E141-R144 IonicContact OE1-CZ 3.45Å; E141-R144 IonicContact OE1-NE 2.94Å; E141-R144 PolarHBondContact OE1-NE 3.43Å; E141-R144 IonicContact OE1-NH2 3.54Å; E141-R144 PolarHBondContact OE1-NH2 2.93Å; E141-R144 WeakPolarHBondContact OE2-CD 3.23Å; E141-R144 IonicContact OE2-CZ 2.67Å; E141-R144 IonicContact OE2-NE 3.36Å; E141-R144 PolarHBondContact OE2-NE 3.47Å; E141-R144 IonicContact OE2-NH2 3.24Å; E141-L145 PolarHBondContact O-N 3.47Å; E141-F195 HydrophobicContact CB-CD2 4.27Å; E141-F195 HydrophobicContact CB-CE2 3.88Å; E141-F195 HydrophobicContact CG-CD2 3.49Å; E141-F195 VanDerWaalsContact CG-CD2 3.49Å; E141-F195 HydrophobicContact CG-CE2 3.63Å; E141-F195 HydrophobicContact CG-CG 4.24Å; E141-F195 HydrophobicContact CG-CZ 4.45Å; E141-V196 VanDerWaalsContact CD-O 3.23Å; E141-V196 PolarHBondContact OE1-N 2.96Å; E141-H199 IonicContact OE1-CE1 3.58Å; E141-H199 IonicContact OE1-ND1 3.86Å; E141-H199 IonicContact OE2-ND1 3.05Å |
| 142 | T | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57 | -47 | 172.6 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | A97 V138 I139 R144 Y146 | A97-T142 WeakPolarHBondContact CA-OG1 3.42Å; A97-T142 HydrophobicContact CB-CG2 3.8Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.35Å; V138-T142 PolarHBondContact O-OG1 2.75Å; I139-T142 WeakPolarHBondContact O-CB 3.48Å; I139-T142 PolarHBondContact O-N 3.07Å; T142-R144 VanDerWaalsContact C-N 3.27Å; T142-R144 PolarHBondContact O-N 3.12Å; T142-Y146 HydrophobicContact CG2-CD2 4.44Å; T142-Y146 WeakPolarHBondContact O-CB 3.43Å; T142-Y146 WeakPolarHBondContact O-CD2 3.34Å; T142-Y146 PolarHBondContact O-N 3.47Å |
| 143 | L | 95.6 | Very high | 95 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.2 | -21.1 | -179.5 | -70.9 | 169.9 | 0 | 0 | 0 | 112.8 | A93 I139 R140 E141 W209 P211 F212 L226 | A93-L143 HydrophobicContact CB-CD2 3.45Å; A93-L143 VanDerWaalsContact CB-CD2 3.45Å; A93-L143 HydrophobicContact CB-CG 4.45Å; I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 WeakPolarHBondContact O-CG 3.25Å; I139-L143 PolarHBondContact O-N 3.48Å; R140-L143 PolarHBondContact O-N 2.71Å; E141-L143 VanDerWaalsContact C-N 3.28Å; E141-L143 PolarHBondContact O-N 2.8Å; L143-W209 HydrophobicContact CB-CZ2 3.97Å; L143-W209 HydrophobicContact CD1-CH2 4.34Å; L143-W209 HydrophobicContact CD1-CZ2 4Å; L143-P211 HydrophobicContact CB-CB 3.81Å; L143-P211 HydrophobicContact CB-CG 3.83Å; L143-P211 HydrophobicContact CD1-CG 4.5Å; L143-P211 HydrophobicContact CD2-CB 4.45Å; L143-P211 WeakPolarHBondContact O-CB 3.48Å; L143-F212 HydrophobicContact CD1-CE2 3.62Å; L143-F212 HydrophobicContact CD1-CZ 3.77Å; L143-L226 HydrophobicContact CD1-CD2 3.85Å |
| 144 | R | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.8 | -57.2 | 171.8 | -173.5 | -172.7 | 68.7 | 79.4 | -5.9 | 109.8 | R140 E141 T142 Y146 P147 H182 W188 A192 E194 | R140-R144 PolarHBondContact O-N 3.22Å; E141-R144 VanDerWaalsContact CD-NE 3.32Å; E141-R144 WeakPolarHBondContact O-CB 3.29Å; E141-R144 PolarHBondContact O-N 3.25Å; E141-R144 IonicContact OE1-CZ 3.45Å; E141-R144 IonicContact OE1-NE 2.94Å; E141-R144 PolarHBondContact OE1-NE 3.43Å; E141-R144 IonicContact OE1-NH2 3.54Å; E141-R144 PolarHBondContact OE1-NH2 2.93Å; E141-R144 WeakPolarHBondContact OE2-CD 3.23Å; E141-R144 IonicContact OE2-CZ 2.67Å; E141-R144 IonicContact OE2-NE 3.36Å; E141-R144 PolarHBondContact OE2-NE 3.47Å; E141-R144 IonicContact OE2-NH2 3.24Å; T142-R144 VanDerWaalsContact C-N 3.27Å; T142-R144 PolarHBondContact O-N 3.12Å; R144-Y146 VanDerWaalsContact C-N 3.32Å; R144-Y146 PolarHBondContact O-N 2.85Å; R144-P147 WeakPolarHBondContact O-CD 3.5Å; R144-H182 WeakPolarHBondContact CA-ND1 3.42Å; R144-H182 HydrophobicContact CG-CB 3.97Å; R144-H182 PolarHBondContact NH1-O 3.05Å; R144-H182 WeakPolarHBondContact O-CB 3.23Å; R144-H182 PolarHBondContact O-ND1 2.81Å; R144-W188 VanDerWaalsContact CD-CE3 3.43Å; R144-W188 VanDerWaalsContact CD-CZ2 3.45Å; R144-W188 HydrophobicContact CG-CH2 3.96Å; R144-W188 HydrophobicContact CG-CZ2 3.84Å; R144-W188 HydrophobicContact CG-CZ3 4.43Å; R144-A192 PolarHBondContact NH1-O 3.44Å; R144-A192 PolarHBondContact NH2-O 3.45Å; R144-E194 PolarHBondContact NH2-O 2.93Å |
| 145 | L | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.1 | -34 | 179.5 | -68.8 | -173.8 | 0 | 0 | 0 | 112.6 | E141 P147 W179 Y183 F195 | E141-L145 PolarHBondContact O-N 3.47Å; L145-P147 VanDerWaalsContact C-CD 3.45Å; L145-P147 VanDerWaalsContact O-CD 3.28Å; L145-P147 WeakPolarHBondContact O-CD 3.23Å; L145-W179 WeakPolarHBondContact O-CZ3 3.43Å; L145-Y183 HydrophobicContact CD2-CE1 3.67Å; L145-Y183 HydrophobicContact CD2-CE2 4.38Å; L145-Y183 WeakPolarHBondContact CD2-OH 3.48Å; L145-Y183 PolarHBondContact O-OH 2.73Å; L145-F195 HydrophobicContact CD1-CB 3.86Å; L145-F195 HydrophobicContact CD1-CD2 3.76Å; L145-F195 HydrophobicContact CD1-CG 4.32Å |
| 146 | Y | 94.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 9% | 0.086 | 10% | 0.103 | C | C | . | . | trans | -122.9 | 73.5 | -176.5 | -55.7 | -76.9 | 0 | 0 | 0 | 111.3 | Y96 E100 T142 R144 V148 L254 | Y96-Y146 AromaticContact CD1-CD1 3.38Å; Y96-Y146 HydrophobicContact CD1-CD1 3.38Å; Y96-Y146 AromaticContact CD1-CD2 3.9Å; Y96-Y146 HydrophobicContact CD1-CD2 3.9Å; Y96-Y146 AromaticContact CD1-CE1 3.77Å; Y96-Y146 HydrophobicContact CD1-CE1 3.77Å; Y96-Y146 HydrophobicContact CD1-CE2 4.22Å; Y96-Y146 AromaticContact CD1-CG 3.45Å; Y96-Y146 HydrophobicContact CD1-CG 3.45Å; Y96-Y146 VanDerWaalsContact CD1-CG 3.45Å; Y96-Y146 HydrophobicContact CD2-CD1 4.47Å; Y96-Y146 HydrophobicContact CD2-CG 4.01Å; Y96-Y146 AromaticContact CE1-CD1 3.46Å; Y96-Y146 HydrophobicContact CE1-CD1 3.46Å; Y96-Y146 VanDerWaalsContact CE1-CD1 3.46Å; Y96-Y146 AromaticContact CE1-CE1 3.92Å; Y96-Y146 HydrophobicContact CE1-CE1 3.92Å; Y96-Y146 AromaticContact CE1-CG 3.94Å; Y96-Y146 HydrophobicContact CE1-CG 3.94Å; Y96-Y146 HydrophobicContact CE2-CG 4.44Å; Y96-Y146 AromaticContact CG-CD1 3.92Å; Y96-Y146 HydrophobicContact CG-CD1 3.92Å; Y96-Y146 AromaticContact CG-CD2 3.85Å; Y96-Y146 HydrophobicContact CG-CD2 3.85Å; Y96-Y146 AromaticContact CG-CG 3.48Å; Y96-Y146 HydrophobicContact CG-CG 3.48Å; Y96-Y146 VanDerWaalsContact CG-CG 3.48Å; E100-Y146 HydrophobicContact CG-CE2 3.77Å; E100-Y146 PolarHBondContact OE1-OH 3.45Å; T142-Y146 HydrophobicContact CG2-CD2 4.44Å; T142-Y146 WeakPolarHBondContact O-CB 3.43Å; T142-Y146 WeakPolarHBondContact O-CD2 3.34Å; T142-Y146 PolarHBondContact O-N 3.47Å; R144-Y146 VanDerWaalsContact C-N 3.32Å; R144-Y146 PolarHBondContact O-N 2.85Å; Y146-V148 VanDerWaalsContact C-N 3.27Å; Y146-V148 WeakPolarHBondContact O-CG2 3.44Å; Y146-V148 PolarHBondContact O-N 3.31Å; Y146-L254 HydrophobicContact CD1-CD1 4.21Å; Y146-L254 HydrophobicContact CE1-CD1 4.41Å | ||
| 147 | P | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -70.9 | 85 | 176.3 | 30.6 | -34.4 | 0 | 0 | 0 | 109.8 | R144 L145 A149 S150 V178 W179 N260 | R144-P147 WeakPolarHBondContact O-CD 3.5Å; L145-P147 VanDerWaalsContact C-CD 3.45Å; L145-P147 VanDerWaalsContact O-CD 3.28Å; L145-P147 WeakPolarHBondContact O-CD 3.23Å; P147-A149 PolarHBondContact O-N 3.3Å; P147-S150 PolarHBondContact O-N 2.84Å; P147-S150 VanDerWaalsContact O-N 3.1Å; P147-V178 HydrophobicContact CB-CG1 3.67Å; P147-V178 HydrophobicContact CG-CG1 4.06Å; P147-W179 HydrophobicContact CG-CD2 3.89Å; P147-W179 HydrophobicContact CG-CE3 3.84Å; P147-W179 HydrophobicContact CG-CH2 4.08Å; P147-W179 HydrophobicContact CG-CZ2 4.16Å; P147-W179 HydrophobicContact CG-CZ3 3.96Å; P147-N260 PolarHBondContact O-ND2 2.77Å | ||
| 148 | V | 92.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 16.9 Ų | 16.9 | 15% | 0.145 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -38.2 | -170.4 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | A93 Y96 Y146 T259 N260 | A93-V148 HydrophobicContact CB-CG2 3.97Å; Y96-V148 HydrophobicContact CD2-CG2 4.15Å; Y96-V148 HydrophobicContact CE2-CG2 4.05Å; Y146-V148 VanDerWaalsContact C-N 3.27Å; Y146-V148 WeakPolarHBondContact O-CG2 3.44Å; Y146-V148 PolarHBondContact O-N 3.31Å; V148-T259 HydrophobicContact CG1-CG2 4.3Å; V148-T259 CarbonylContact O-C 3.57Å; V148-T259 WeakPolarHBondContact O-CA 3.34Å; V148-T259 WeakPolarHBondContact O-CB 3.17Å; V148-N260 PolarHBondContact O-N 3.22Å |
| 149 | A | 91.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 22.8 Ų | 22.8 | 26% | 0.264 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 33.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P147 G151 V152 | P147-A149 PolarHBondContact O-N 3.3Å; A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.89Å; A149-V152 HydrophobicContact CB-CB 4.23Å; A149-V152 HydrophobicContact CB-CG2 3.98Å; A149-V152 VanDerWaalsContact O-CB 3.27Å; A149-V152 WeakPolarHBondContact O-CB 3.21Å; A149-V152 PolarHBondContact O-N 2.68Å |
| 150 | S | 91.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -53 | -45.4 | -177.2 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | P147 V152 V153 N260 | P147-S150 PolarHBondContact O-N 2.84Å; P147-S150 VanDerWaalsContact O-N 3.1Å; S150-V152 PolarHBondContact O-N 3.04Å; S150-V152 VanDerWaalsContact O-N 3.13Å; S150-V153 WeakPolarHBondContact O-CB 3.27Å; S150-V153 WeakPolarHBondContact O-CG2 3.22Å; S150-V153 PolarHBondContact O-N 3.35Å; S150-N260 PolarHBondContact OG-ND2 3.14Å |
| 151 | G | 90.5 | Very high | 94.5 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 27% | 0.268 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -62.1 | -22.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | A149 V153 N154 | A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.89Å; G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 PolarHBondContact O-N 3.48Å; G151-N154 WeakPolarHBondContact O-CB 3.37Å; G151-N154 PolarHBondContact O-ND2 2.96Å |
| 152 | V | 91.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -71.2 | -27.2 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | R30 F40 A149 S150 N154 R155 M258 | R30-V152 PolarHBondContact NH1-O 3.38Å; F40-V152 HydrophobicContact CE2-CB 4.46Å; F40-V152 HydrophobicContact CE2-CG1 3.45Å; F40-V152 VanDerWaalsContact CE2-CG1 3.45Å; F40-V152 HydrophobicContact CE2-CG2 4.16Å; F40-V152 HydrophobicContact CZ-CB 4.41Å; F40-V152 HydrophobicContact CZ-CG1 3.72Å; F40-V152 HydrophobicContact CZ-CG2 3.96Å; A149-V152 HydrophobicContact CB-CB 4.23Å; A149-V152 HydrophobicContact CB-CG2 3.98Å; A149-V152 VanDerWaalsContact O-CB 3.27Å; A149-V152 WeakPolarHBondContact O-CB 3.21Å; A149-V152 PolarHBondContact O-N 2.68Å; S150-V152 PolarHBondContact O-N 3.04Å; S150-V152 VanDerWaalsContact O-N 3.13Å; V152-N154 PolarHBondContact O-N 3.31Å; V152-R155 PolarHBondContact O-NH1 2.78Å; V152-M258 HydrophobicContact CG2-CG 3.64Å; V152-M258 HydrophobicContact CG2-SD 4.44Å |
| 153 | V | 94.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -71.1 | -15.3 | -176 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | L20 S150 G151 R155 V176 V178 | L20-V153 HydrophobicContact CD1-CG1 4.36Å; L20-V153 HydrophobicContact CD2-CG1 4.45Å; S150-V153 WeakPolarHBondContact O-CB 3.27Å; S150-V153 WeakPolarHBondContact O-CG2 3.22Å; S150-V153 PolarHBondContact O-N 3.35Å; G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 PolarHBondContact O-N 3.48Å; V153-R155 VanDerWaalsContact O-CZ 3.28Å; V153-R155 PolarHBondContact O-NH1 3.24Å; V153-V176 HydrophobicContact CB-CB 4.23Å; V153-V176 HydrophobicContact CB-CG1 4.44Å; V153-V176 HydrophobicContact CG1-CB 3.92Å; V153-V176 HydrophobicContact CG1-CG1 3.82Å; V153-V176 HydrophobicContact CG1-CG2 4.09Å; V153-V178 HydrophobicContact CB-CG2 4.15Å; V153-V178 HydrophobicContact CG1-CG2 4.49Å; V153-V178 HydrophobicContact CG2-CG2 4.03Å |
| 154 | N | 94.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | trans | -57.1 | 150.6 | 175.2 | -61.3 | -26.5 | 0 | 0 | 0 | 113.2 | K31 G151 V152 V174 V175 V176 | K31-N154 HydrophobicContact CB-CB 3.95Å; K31-N154 HydrophobicContact CD-CB 4.14Å; G151-N154 WeakPolarHBondContact O-CB 3.37Å; G151-N154 PolarHBondContact O-ND2 2.96Å; V152-N154 PolarHBondContact O-N 3.31Å; N154-V174 WeakPolarHBondContact CA-O 3.08Å; N154-V175 VanDerWaalsContact OD1-CA 3.22Å; N154-V175 WeakPolarHBondContact OD1-CA 3.5Å; N154-V176 PolarHBondContact OD1-N 3.47Å | ||
| 155 | R | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 166 | -178.3 | -63.4 | -57.9 | -175.2 | -92.8 | -14.8 | 111.9 | I19 L20 F27 A29 V152 V153 V174 | I19-R155 HydrophobicContact CG2-CG 4.49Å; L20-R155 HydrophobicContact CD2-CG 4.12Å; F27-R155 HydrophobicContact CB-CB 4.11Å; F27-R155 HydrophobicContact CB-CG 4.21Å; F27-R155 WeakPolarHBondContact O-CD 3.32Å; A29-R155 WeakPolarHBondContact O-CA 3.46Å; A29-R155 WeakPolarHBondContact O-CD 3.21Å; V152-R155 PolarHBondContact O-NH1 2.78Å; V153-R155 VanDerWaalsContact O-CZ 3.28Å; V153-R155 PolarHBondContact O-NH1 3.24Å; R155-V174 HydrophobicContact CB-CB 4.39Å; R155-V174 PolarHBondContact N-O 3.02Å; R155-V174 PolarHBondContact O-N 3.44Å |
| 156 | R | 94.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.7 | 164.7 | -170.9 | 178.6 | -173.9 | 93.9 | -6.6 | 108.7 | A29 G33 M158 G171 M172 N173 | A29-R156 HydrophobicContact CB-CB 4.43Å; A29-R156 PolarHBondContact O-N 2.95Å; G33-R156 VanDerWaalsContact CA-CD 3.5Å; R156-M158 HydrophobicContact CB-SD 4.43Å; R156-M158 HydrophobicContact CG-SD 4.36Å; R156-M158 PolarHBondContact O-N 2.93Å; R156-G171 PolarHBondContact NE-O 3.38Å; R156-G171 PolarHBondContact NH1-O 3.24Å; R156-G171 PolarHBondContact NH2-O 2.93Å; R156-M172 WeakPolarHBondContact CA-O 3.49Å; R156-N173 PolarHBondContact NH1-OD1 2.79Å |
| 157 | C | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -69.3 | 119.1 | 172 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | C26 F27 Q159 I168 E169 G171 M172 | C26-C157 CarbonylContact O-C 3.55Å; F27-C157 HydrophobicContact CD1-CB 4.2Å; F27-C157 HydrophobicContact CE1-CB 3.86Å; C157-Q159 PolarHBondContact SG-O 3.1Å; C157-I168 HydrophobicContact CB-CG2 3.82Å; C157-I168 PolarHBondContact SG-O 3.48Å; C157-E169 VanDerWaalsContact CB-O 3.31Å; C157-E169 WeakPolarHBondContact CB-O 3.32Å; C157-G171 PolarHBondContact O-N 2.89Å; C157-M172 PolarHBondContact N-O 3.32Å | ||
| 158 | M | 94.8 | Very high | 93.5 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -100 | -15.4 | -177.8 | -61.5 | -56.2 | -62.3 | 0 | 0 | 112.2 | C26 A29 R156 K170 | C26-M158 WeakPolarHBondContact O-CB 3.25Å; C26-M158 PolarHBondContact O-N 2.87Å; A29-M158 HydrophobicContact CB-CE 4.37Å; A29-M158 HydrophobicContact CB-CG 3.7Å; A29-M158 HydrophobicContact CB-SD 3.43Å; A29-M158 WeakPolarHBondContact CB-SD 3.41Å; R156-M158 HydrophobicContact CB-SD 4.43Å; R156-M158 HydrophobicContact CG-SD 4.36Å; R156-M158 PolarHBondContact O-N 2.93Å; M158-K170 WeakPolarHBondContact O-CD 3.28Å; M158-K170 WeakPolarHBondContact O-CE 3.49Å; M158-K170 WeakPolarHBondContact O-CG 3.23Å |
| 159 | Q | 95.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -151.4 | 128.1 | 176.6 | 178.6 | 176.6 | -5.6 | 0 | 0 | 108.3 | C157 C161 | C157-Q159 PolarHBondContact SG-O 3.1Å; Q159-C161 PolarHBondContact O-N 3.38Å |
| 160 | T | 97.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -50.9 | 129.6 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 110 | T167 I168 E169 K170 | T160-T167 HydrophobicContact CG2-CG2 3.69Å; T160-I168 WeakPolarHBondContact CA-O 3.24Å; T160-E169 VanDerWaalsContact CG2-OE2 3.23Å; T160-E169 WeakPolarHBondContact CG2-OE2 3.02Å; T160-E169 PolarHBondContact OG1-OE2 3.03Å; T160-K170 PolarHBondContact OG1-N 2.9Å | ||
| 161 | C | 95.7 | Very high | 94 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.1 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | C26 F27 Q159 I168 | C26-C161 HydrophobicContact CB-CB 4.05Å; C26-C161 VanDerWaalsContact CB-SG 3.55Å; F27-C161 WeakPolarHBondContact CE2-SG 3.44Å; F27-C161 WeakPolarHBondContact CZ-SG 3.37Å; Q159-C161 PolarHBondContact O-N 3.38Å; C161-I168 PolarHBondContact N-O 3.01Å; C161-I168 PolarHBondContact O-N 2.94Å |
| 162 | T | 95.7 | Very high | 94.2 | Very high | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.2 | -179.6 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | K23 F166 T167 | K23-T162 PolarHBondContact NZ-O 3.13Å; T162-F166 CarbonylContact C-O 3.58Å; T162-F166 VanDerWaalsContact CA-O 3.23Å; T162-F166 WeakPolarHBondContact CA-O 3.37Å; T162-F166 WeakPolarHBondContact CG2-O 3.4Å; T162-T167 PolarHBondContact OG1-OG1 2.73Å |
| 163 | T | 93 | Very high | 94.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | M15 D18 I19 G165 F166 I168 | M15-T163 HydrophobicContact CE-CG2 3.83Å; M15-T163 HydrophobicContact CG-CG2 4.1Å; D18-T163 WeakPolarHBondContact CB-OG1 3.28Å; D18-T163 PolarHBondContact OD2-OG1 2.94Å; I19-T163 HydrophobicContact CD1-CG2 4.28Å; I19-T163 HydrophobicContact CG1-CG2 4.01Å; T163-G165 PolarHBondContact O-N 3.21Å; T163-G165 VanDerWaalsContact O-N 3.13Å; T163-F166 PolarHBondContact N-O 3.17Å; T163-F166 PolarHBondContact O-N 2.85Å; T163-I168 HydrophobicContact CG2-CD1 3.55Å; T163-I168 HydrophobicContact CG2-CG1 4.39Å |
| 164 | G | 85.5 | Confident | 94.4 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 25.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F166 | G164-F166 VanDerWaalsContact C-N 3.27Å; G164-F166 WeakPolarHBondContact O-CD2 3.35Å; G164-F166 VanDerWaalsContact O-CE2 3.29Å; G164-F166 WeakPolarHBondContact O-CE2 3.45Å; G164-F166 PolarHBondContact O-N 3.5Å |
| 165 | G | 90.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 78% | 0.784 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -2.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T163 | T163-G165 PolarHBondContact O-N 3.21Å; T163-G165 VanDerWaalsContact O-N 3.13Å |
| 166 | F | 93.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 49.6 Ų | 49.6 | 54% | 0.544 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.6 | -179.9 | -59.6 | -83.3 | 0 | 0 | 0 | 111.8 | M15 T162 T163 G164 | M15-F166 HydrophobicContact CE-CB 4.06Å; M15-F166 HydrophobicContact CE-CD2 3.73Å; M15-F166 HydrophobicContact CE-CG 4.24Å; M15-F166 HydrophobicContact SD-CD2 4.28Å; T162-F166 CarbonylContact C-O 3.58Å; T162-F166 VanDerWaalsContact CA-O 3.23Å; T162-F166 WeakPolarHBondContact CA-O 3.37Å; T162-F166 WeakPolarHBondContact CG2-O 3.4Å; T163-F166 PolarHBondContact N-O 3.17Å; T163-F166 PolarHBondContact O-N 2.85Å; G164-F166 VanDerWaalsContact C-N 3.27Å; G164-F166 WeakPolarHBondContact O-CD2 3.35Å; G164-F166 VanDerWaalsContact O-CE2 3.29Å; G164-F166 WeakPolarHBondContact O-CE2 3.45Å; G164-F166 PolarHBondContact O-N 3.5Å |
| 167 | T | 96 | Very high | 94.6 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.1 | 166.6 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | T160 T162 E169 | T160-T167 HydrophobicContact CG2-CG2 3.69Å; T162-T167 PolarHBondContact OG1-OG1 2.73Å; T167-E169 WeakPolarHBondContact CG2-OE1 3.38Å |
| 168 | I | 96.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 107.3 | 178.4 | -51.9 | 176.4 | 0 | 0 | 0 | 108 | L8 M15 I19 F27 C157 T160 C161 T163 M172 V174 | L8-I168 HydrophobicContact CD2-CD1 3.52Å; L8-I168 HydrophobicContact CD2-CG1 3.87Å; M15-I168 HydrophobicContact CE-CD1 4.02Å; I19-I168 HydrophobicContact CD1-CD1 4.29Å; F27-I168 HydrophobicContact CE1-CB 4.47Å; F27-I168 HydrophobicContact CE1-CD1 4.11Å; F27-I168 HydrophobicContact CE1-CG2 4.12Å; F27-I168 HydrophobicContact CZ-CB 4.41Å; F27-I168 HydrophobicContact CZ-CD1 3.79Å; C157-I168 HydrophobicContact CB-CG2 3.82Å; C157-I168 PolarHBondContact SG-O 3.48Å; T160-I168 WeakPolarHBondContact CA-O 3.24Å; C161-I168 PolarHBondContact N-O 3.01Å; C161-I168 PolarHBondContact O-N 2.94Å; T163-I168 HydrophobicContact CG2-CD1 3.55Å; T163-I168 HydrophobicContact CG2-CG1 4.39Å; I168-M172 HydrophobicContact CG2-CB 4.05Å; I168-M172 HydrophobicContact CG2-CE 4.4Å; I168-M172 HydrophobicContact CG2-SD 4.15Å; I168-V174 HydrophobicContact CD1-CG2 4.47Å; I168-V174 HydrophobicContact CG2-CG2 4.15Å |
| 169 | E | 96.2 | Very high | 94.7 | Very high | 98 Ų | 98 | 49 Ų | 49 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | trans | -68.6 | 146.7 | -177.6 | -66.4 | -59.6 | 155.7 | 0 | 0 | 112.9 | C157 T160 T167 G171 M172 | C157-E169 VanDerWaalsContact CB-O 3.31Å; C157-E169 WeakPolarHBondContact CB-O 3.32Å; T160-E169 VanDerWaalsContact CG2-OE2 3.23Å; T160-E169 WeakPolarHBondContact CG2-OE2 3.02Å; T160-E169 PolarHBondContact OG1-OE2 3.03Å; T167-E169 WeakPolarHBondContact CG2-OE1 3.38Å; E169-G171 PolarHBondContact O-N 2.81Å; E169-M172 HydrophobicContact CB-CG 4.04Å; E169-M172 HydrophobicContact CB-SD 3.74Å; E169-M172 HydrophobicContact CG-SD 4.36Å; E169-M172 PolarHBondContact N-SD 3.11Å; E169-M172 VanDerWaalsContact O-CB 3.28Å; E169-M172 WeakPolarHBondContact O-CB 3.3Å; E169-M172 VanDerWaalsContact O-CG 3.28Å; E169-M172 WeakPolarHBondContact O-CG 3.5Å; E169-M172 PolarHBondContact O-N 2.8Å; E169-M172 VanDerWaalsContact O-N 3.08Å | ||
| 170 | K | 95.2 | Very high | 94.7 | Very high | 144 Ų | 144 | 45.9 Ų | 45.9 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 131.5 | 172.4 | 178.4 | 177.7 | 178.9 | -175.8 | 0 | 110.4 | M158 T160 | M158-K170 WeakPolarHBondContact O-CD 3.28Å; M158-K170 WeakPolarHBondContact O-CE 3.49Å; M158-K170 WeakPolarHBondContact O-CG 3.23Å; T160-K170 PolarHBondContact OG1-N 2.9Å |
| 171 | G | 93.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -17.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R156 C157 E169 | R156-G171 PolarHBondContact NE-O 3.38Å; R156-G171 PolarHBondContact NH1-O 3.24Å; R156-G171 PolarHBondContact NH2-O 2.93Å; C157-G171 PolarHBondContact O-N 2.89Å; E169-G171 PolarHBondContact O-N 2.81Å |
| 172 | M | 95.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | trans | -62.1 | 140.8 | 173.5 | -66.8 | -178.6 | 60.4 | 0 | 0 | 110.9 | P6 L8 R156 C157 I168 E169 | P6-M172 HydrophobicContact CB-CE 4.15Å; P6-M172 HydrophobicContact CB-CG 4.12Å; L8-M172 HydrophobicContact CB-CE 4.36Å; R156-M172 WeakPolarHBondContact CA-O 3.49Å; C157-M172 PolarHBondContact N-O 3.32Å; I168-M172 HydrophobicContact CG2-CB 4.05Å; I168-M172 HydrophobicContact CG2-CE 4.4Å; I168-M172 HydrophobicContact CG2-SD 4.15Å; E169-M172 HydrophobicContact CB-CG 4.04Å; E169-M172 HydrophobicContact CB-SD 3.74Å; E169-M172 HydrophobicContact CG-SD 4.36Å; E169-M172 PolarHBondContact N-SD 3.11Å; E169-M172 VanDerWaalsContact O-CB 3.28Å; E169-M172 WeakPolarHBondContact O-CB 3.3Å; E169-M172 VanDerWaalsContact O-CG 3.28Å; E169-M172 WeakPolarHBondContact O-CG 3.5Å; E169-M172 PolarHBondContact O-N 2.8Å; E169-M172 VanDerWaalsContact O-N 3.08Å | ||
| 173 | N | 94.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.2 | 169.6 | -71.1 | -29.5 | 0 | 0 | 0 | 108.8 | E2 P6 V7 L8 K31 G32 R156 | E2-N173 PolarHBondContact OE1-ND2 3.22Å; P6-N173 PolarHBondContact O-N 3.4Å; P6-N173 VanDerWaalsContact O-N 3.13Å; V7-N173 WeakPolarHBondContact CA-O 3.34Å; V7-N173 HydrophobicContact CG2-CB 4.34Å; L8-N173 PolarHBondContact N-O 2.81Å; K31-N173 HydrophobicContact CG-CB 4.2Å; G32-N173 PolarHBondContact N-OD1 3.29Å; R156-N173 PolarHBondContact NH1-OD1 2.79Å |
| 174 | V | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.7 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | L8 V10 I19 F27 N154 R155 I168 | L8-V174 CarbonylContact O-C 3.53Å; L8-V174 VanDerWaalsContact O-CA 3.31Å; L8-V174 WeakPolarHBondContact O-CA 3.42Å; V10-V174 HydrophobicContact CG2-CG1 3.95Å; I19-V174 HydrophobicContact CD1-CG1 4.06Å; I19-V174 HydrophobicContact CG2-CG1 4.31Å; F27-V174 HydrophobicContact CD1-CG2 4.19Å; F27-V174 HydrophobicContact CE1-CG2 3.91Å; N154-V174 WeakPolarHBondContact CA-O 3.08Å; R155-V174 HydrophobicContact CB-CB 4.39Å; R155-V174 PolarHBondContact N-O 3.02Å; R155-V174 PolarHBondContact O-N 3.44Å; I168-V174 HydrophobicContact CD1-CG2 4.47Å; I168-V174 HydrophobicContact CG2-CG2 4.15Å |
| 175 | V | 95.2 | Very high | 95.6 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.4 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | V7 L8 V9 V10 N154 | V7-V175 HydrophobicContact CG1-CB 4.28Å; V7-V175 HydrophobicContact CG1-CG2 3.56Å; L8-V175 PolarHBondContact O-N 3.47Å; V9-V175 WeakPolarHBondContact CA-O 3.46Å; V9-V175 HydrophobicContact CG1-CB 4.45Å; V9-V175 HydrophobicContact CG1-CG1 4.23Å; V9-V175 HydrophobicContact CG2-CB 4.16Å; V10-V175 PolarHBondContact N-O 3.13Å; N154-V175 VanDerWaalsContact OD1-CA 3.22Å; N154-V175 WeakPolarHBondContact OD1-CA 3.5Å |
| 176 | V | 96.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 110.9 | 172.9 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | L16 L20 V153 N154 V178 I210 | L16-V176 HydrophobicContact CD1-CG1 4.09Å; L16-V176 HydrophobicContact CD2-CB 4.18Å; L16-V176 HydrophobicContact CD2-CG1 3.72Å; L16-V176 HydrophobicContact CD2-CG2 3.75Å; L20-V176 HydrophobicContact CD1-CG1 4.48Å; L20-V176 HydrophobicContact CD2-CG2 4.14Å; V153-V176 HydrophobicContact CB-CB 4.23Å; V153-V176 HydrophobicContact CB-CG1 4.44Å; V153-V176 HydrophobicContact CG1-CB 3.92Å; V153-V176 HydrophobicContact CG1-CG1 3.82Å; V153-V176 HydrophobicContact CG1-CG2 4.09Å; N154-V176 PolarHBondContact OD1-N 3.47Å; V176-V178 HydrophobicContact CG1-CG2 4.01Å; V176-V178 PolarHBondContact O-N 3.35Å; V176-I210 HydrophobicContact CG1-CD1 4.06Å |
| 177 | D | 96.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -82.8 | 73 | -175.4 | -168.7 | -2.6 | 0 | 0 | 0 | 110.9 | V9 V10 W179 S180 I181 | V9-D177 HydrophobicContact CG1-CB 3.89Å; V10-D177 PolarHBondContact O-N 3.42Å; D177-W179 PolarHBondContact O-N 3.31Å; D177-S180 VanDerWaalsContact CG-CB 3.44Å; D177-S180 PolarHBondContact O-N 3.21Å; D177-S180 PolarHBondContact OD1-N 3.43Å; D177-S180 VanDerWaalsContact OD1-N 3.11Å; D177-S180 PolarHBondContact OD1-OG 3.13Å; D177-S180 WeakPolarHBondContact OD2-CB 3.25Å; D177-S180 PolarHBondContact OD2-OG 3.16Å; D177-I181 WeakPolarHBondContact O-CD1 3.37Å; D177-I181 WeakPolarHBondContact O-CG1 3.24Å; D177-I181 PolarHBondContact O-N 2.79Å | ||
| 178 | V | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -36.2 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | P147 V153 V176 I181 H182 I210 | P147-V178 HydrophobicContact CB-CG1 3.67Å; P147-V178 HydrophobicContact CG-CG1 4.06Å; V153-V178 HydrophobicContact CB-CG2 4.15Å; V153-V178 HydrophobicContact CG1-CG2 4.49Å; V153-V178 HydrophobicContact CG2-CG2 4.03Å; V176-V178 HydrophobicContact CG1-CG2 4.01Å; V176-V178 PolarHBondContact O-N 3.35Å; V178-I181 PolarHBondContact O-N 3.29Å; V178-H182 WeakPolarHBondContact O-CB 3.46Å; V178-H182 PolarHBondContact O-CD2 3.11Å; V178-H182 PolarHBondContact O-N 3.38Å; V178-I210 HydrophobicContact CG1-CG1 4.19Å; V178-I210 HydrophobicContact CG2-CD1 4.1Å; V178-I210 HydrophobicContact CG2-CG1 4.39Å |
| 179 | W | 95.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -54.8 | 179 | -72 | 119.7 | 0 | 0 | 0 | 111.1 | L145 P147 D177 I181 H182 Y183 L254 E256 N260 | L145-W179 WeakPolarHBondContact O-CZ3 3.43Å; P147-W179 HydrophobicContact CG-CD2 3.89Å; P147-W179 HydrophobicContact CG-CE3 3.84Å; P147-W179 HydrophobicContact CG-CH2 4.08Å; P147-W179 HydrophobicContact CG-CZ2 4.16Å; P147-W179 HydrophobicContact CG-CZ3 3.96Å; D177-W179 PolarHBondContact O-N 3.31Å; W179-I181 PolarHBondContact O-N 2.93Å; W179-H182 PolarHBondContact O-N 3.01Å; W179-H182 VanDerWaalsContact O-N 3.15Å; W179-Y183 HydrophobicContact CE3-CD2 4.14Å; W179-Y183 AromaticContact CE3-CE2 3.66Å; W179-Y183 HydrophobicContact CE3-CE2 3.66Å; W179-Y183 AromaticContact CZ3-CE2 3.8Å; W179-Y183 HydrophobicContact CZ3-CE2 3.8Å; W179-Y183 WeakPolarHBondContact O-CD2 3.09Å; W179-Y183 PolarHBondContact O-N 2.96Å; W179-L254 HydrophobicContact CH2-CD1 3.54Å; W179-L254 HydrophobicContact CZ2-CD1 4.15Å; W179-L254 HydrophobicContact CZ3-CD1 4.41Å; W179-E256 PolarHBondContact NE1-OE1 3.4Å; W179-N260 HydrophobicContact CZ2-CB 4.09Å; W179-N260 VanDerWaalsContact CZ2-ND2 3.31Å; W179-N260 WeakPolarHBondContact CZ2-ND2 3.39Å |
| 180 | S | 96.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -36 | 179 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | D177 N184 | D177-S180 VanDerWaalsContact CG-CB 3.44Å; D177-S180 PolarHBondContact O-N 3.21Å; D177-S180 PolarHBondContact OD1-N 3.43Å; D177-S180 VanDerWaalsContact OD1-N 3.11Å; D177-S180 PolarHBondContact OD1-OG 3.13Å; D177-S180 WeakPolarHBondContact OD2-CB 3.25Å; D177-S180 PolarHBondContact OD2-OG 3.16Å; S180-N184 VanDerWaalsContact O-CB 3.27Å; S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.3Å; S180-N184 VanDerWaalsContact O-N 3.1Å |
| 181 | I | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 176.6 | -62.9 | 160.3 | 0 | 0 | 0 | 111.3 | L13 L16 D177 V178 W179 Y183 N184 I187 W188 A208 I210 | L13-I181 HydrophobicContact CD2-CD1 4.42Å; L13-I181 HydrophobicContact CD2-CG1 4.29Å; L13-I181 HydrophobicContact CD2-CG2 3.78Å; L16-I181 HydrophobicContact CD1-CD1 3.28Å; L16-I181 HydrophobicContact CD1-CG1 4.36Å; D177-I181 WeakPolarHBondContact O-CD1 3.37Å; D177-I181 WeakPolarHBondContact O-CG1 3.24Å; D177-I181 PolarHBondContact O-N 2.79Å; V178-I181 PolarHBondContact O-N 3.29Å; W179-I181 PolarHBondContact O-N 2.93Å; I181-Y183 VanDerWaalsContact C-N 3.3Å; I181-Y183 PolarHBondContact O-N 3.46Å; I181-N184 PolarHBondContact O-N 3.36Å; I181-I187 HydrophobicContact CG2-CD1 4.31Å; I181-W188 PolarHBondContact O-NE1 3.25Å; I181-A208 WeakPolarHBondContact CG2-O 3.49Å; I181-I210 HydrophobicContact CD1-CD1 3.94Å |
| 182 | H | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.2 | -24 | -175 | -77.6 | -160.9 | 0 | 0 | 0 | 112.9 | R144 V178 W179 W188 A208 I210 | R144-H182 WeakPolarHBondContact CA-ND1 3.42Å; R144-H182 HydrophobicContact CG-CB 3.97Å; R144-H182 PolarHBondContact NH1-O 3.05Å; R144-H182 WeakPolarHBondContact O-CB 3.23Å; R144-H182 PolarHBondContact O-ND1 2.81Å; V178-H182 WeakPolarHBondContact O-CB 3.46Å; V178-H182 PolarHBondContact O-CD2 3.11Å; V178-H182 PolarHBondContact O-N 3.38Å; W179-H182 PolarHBondContact O-N 3.01Å; W179-H182 VanDerWaalsContact O-N 3.15Å; H182-W188 VanDerWaalsContact O-CD1 3.26Å; H182-W188 PolarHBondContact O-NE1 3.49Å; H182-A208 PolarHBondContact CD2-O 2.89Å; H182-I210 PolarHBondContact NE2-N 3.37Å |
| 183 | Y | 96.8 | Very high | 95.8 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 6.3 | 177.8 | -76.3 | -96.7 | 0 | 0 | 0 | 113.5 | L145 W179 I181 K185 D193 | L145-Y183 HydrophobicContact CD2-CE1 3.67Å; L145-Y183 HydrophobicContact CD2-CE2 4.38Å; L145-Y183 WeakPolarHBondContact CD2-OH 3.48Å; L145-Y183 PolarHBondContact O-OH 2.73Å; W179-Y183 HydrophobicContact CE3-CD2 4.14Å; W179-Y183 AromaticContact CE3-CE2 3.66Å; W179-Y183 HydrophobicContact CE3-CE2 3.66Å; W179-Y183 AromaticContact CZ3-CE2 3.8Å; W179-Y183 HydrophobicContact CZ3-CE2 3.8Å; W179-Y183 WeakPolarHBondContact O-CD2 3.09Å; W179-Y183 PolarHBondContact O-N 2.96Å; I181-Y183 VanDerWaalsContact C-N 3.3Å; I181-Y183 PolarHBondContact O-N 3.46Å; Y183-K185 PolarHBondContact O-N 3.04Å; Y183-D193 WeakPolarHBondContact CD1-OD1 3.44Å |
| 184 | N | 96.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | trans | -69.5 | 116.5 | -179 | -170.8 | -23.6 | 0 | 0 | 0 | 111.1 | S180 I181 D186 I187 W188 | S180-N184 VanDerWaalsContact O-CB 3.27Å; S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.3Å; S180-N184 VanDerWaalsContact O-N 3.1Å; I181-N184 PolarHBondContact O-N 3.36Å; N184-D186 VanDerWaalsContact C-N 3.27Å; N184-D186 PolarHBondContact O-N 2.86Å; N184-D186 WeakPolarHBondContact OD1-CB 3.31Å; N184-D186 PolarHBondContact OD1-N 2.6Å; N184-I187 HydrophobicContact CB-CB 4.12Å; N184-I187 HydrophobicContact CB-CD1 3.8Å; N184-I187 HydrophobicContact CB-CG1 3.95Å; N184-I187 PolarHBondContact O-N 3.41Å; N184-W188 PolarHBondContact O-N 2.78Å | ||
| 185 | K | 96.2 | Very high | 95.9 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -24.3 | 178.8 | -65.1 | -173.9 | 178 | -173.2 | 0 | 114.2 | Y183 I187 G189 A192 D193 | Y183-K185 PolarHBondContact O-N 3.04Å; K185-I187 VanDerWaalsContact C-N 3.25Å; K185-I187 PolarHBondContact O-N 2.89Å; K185-G189 VanDerWaalsContact CA-O 3.31Å; K185-G189 WeakPolarHBondContact CA-O 3.47Å; K185-G189 WeakPolarHBondContact CB-O 3.27Å; K185-G189 CarbonylContact O-C 3.6Å; K185-G189 WeakPolarHBondContact O-CA 3.42Å; K185-G189 PolarHBondContact O-N 3.01Å; K185-A192 HydrophobicContact CG-CB 3.91Å; K185-D193 WeakPolarHBondContact CE-OD2 3.46Å; K185-D193 IonicContact NZ-OD2 3.85Å; K185-D193 PolarHBondContact NZ-OD2 3.29Å |
| 186 | D | 94.9 | Very high | 96 | Very high | 157 Ų | 157 | 48 Ų | 48 | 84% | 0.84 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -73 | -22.9 | 173.6 | -59.3 | -31.5 | 0 | 0 | 0 | 111.8 | N184 | N184-D186 VanDerWaalsContact C-N 3.27Å; N184-D186 PolarHBondContact O-N 2.86Å; N184-D186 WeakPolarHBondContact OD1-CB 3.31Å; N184-D186 PolarHBondContact OD1-N 2.6Å |
| 187 | I | 95.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -92.6 | -46.9 | 177.7 | -62.2 | 174.9 | 0 | 0 | 0 | 110.6 | L13 I181 N184 K185 L204 A208 | L13-I187 HydrophobicContact CD1-CD1 3.77Å; L13-I187 HydrophobicContact CD1-CG1 4.48Å; L13-I187 HydrophobicContact CD2-CD1 4.48Å; L13-I187 HydrophobicContact CG-CD1 4.31Å; I181-I187 HydrophobicContact CG2-CD1 4.31Å; N184-I187 HydrophobicContact CB-CB 4.12Å; N184-I187 HydrophobicContact CB-CD1 3.8Å; N184-I187 HydrophobicContact CB-CG1 3.95Å; N184-I187 PolarHBondContact O-N 3.41Å; K185-I187 VanDerWaalsContact C-N 3.25Å; K185-I187 PolarHBondContact O-N 2.89Å; I187-L204 HydrophobicContact CG2-CD1 4.39Å; I187-L204 VanDerWaalsContact O-CD2 3.23Å; I187-L204 WeakPolarHBondContact O-CD2 3.4Å; I187-A208 HydrophobicContact CG2-CB 3.63Å |
| 188 | W | 95.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -104.3 | -10.6 | -168 | -64.3 | 97.8 | 0 | 0 | 0 | 114.3 | R144 I181 H182 N184 A192 H199 L201 L204 A208 W209 | R144-W188 VanDerWaalsContact CD-CE3 3.43Å; R144-W188 VanDerWaalsContact CD-CZ2 3.45Å; R144-W188 HydrophobicContact CG-CH2 3.96Å; R144-W188 HydrophobicContact CG-CZ2 3.84Å; R144-W188 HydrophobicContact CG-CZ3 4.43Å; I181-W188 PolarHBondContact O-NE1 3.25Å; H182-W188 VanDerWaalsContact O-CD1 3.26Å; H182-W188 PolarHBondContact O-NE1 3.49Å; N184-W188 PolarHBondContact O-N 2.78Å; W188-A192 HydrophobicContact CB-CB 3.72Å; W188-H199 HydrophobicContact CE3-CB 4.16Å; W188-H199 AromaticContact CE3-ND1 3.71Å; W188-H199 HydrophobicContact CZ3-CB 4.11Å; W188-H199 PolarHBondContact O-NE2 2.91Å; W188-L201 HydrophobicContact CH2-CD2 3.21Å; W188-L201 HydrophobicContact CZ2-CD2 4.41Å; W188-L201 HydrophobicContact CZ3-CD2 3.38Å; W188-L201 HydrophobicContact CZ3-CG 4.32Å; W188-L204 HydrophobicContact CD2-CD1 4.05Å; W188-L204 HydrophobicContact CE3-CD1 3.66Å; W188-L204 HydrophobicContact CH2-CD1 3.87Å; W188-L204 HydrophobicContact CZ2-CD1 4.22Å; W188-L204 HydrophobicContact CZ3-CD1 3.56Å; W188-A208 HydrophobicContact CZ2-CB 4.2Å; W188-A208 WeakPolarHBondContact CZ2-O 3.22Å; W188-W209 HydrophobicContact CH2-CB 4.05Å; W188-W209 AromaticContact CH2-CD1 3.91Å; W188-W209 HydrophobicContact CH2-CG 4.38Å; W188-W209 HydrophobicContact CZ2-CB 4.23Å |
| 189 | G | 93.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | trans | 95.3 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K185 D191 A192 | K185-G189 VanDerWaalsContact CA-O 3.31Å; K185-G189 WeakPolarHBondContact CA-O 3.47Å; K185-G189 WeakPolarHBondContact CB-O 3.27Å; K185-G189 CarbonylContact O-C 3.6Å; K185-G189 WeakPolarHBondContact O-CA 3.42Å; K185-G189 PolarHBondContact O-N 3.01Å; G189-D191 PolarHBondContact O-N 3.01Å; G189-A192 WeakPolarHBondContact O-CB 3.33Å; G189-A192 PolarHBondContact O-N 3.13Å | ||
| 190 | P | 95.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 56.4 Ų | 56.4 | 77% | 0.766 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.4 | -173.5 | 25.9 | -34.7 | 0 | 0 | 0 | 113.9 | ||
| 191 | D | 95.5 | Very high | 93.8 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 16.4 | 179.8 | 62.1 | -3.5 | 0 | 0 | 0 | 113.3 | G189 D193 E194 V196 H199 | G189-D191 PolarHBondContact O-N 3.01Å; D191-D193 PolarHBondContact O-N 2.96Å; D191-E194 WeakPolarHBondContact O-CB 3.41Å; D191-E194 PolarHBondContact O-N 3.27Å; D191-V196 HydrophobicContact CB-CG2 4.38Å; D191-H199 IonicContact OD1-CE1 3.8Å; D191-H199 IonicContact OD1-NE2 3.66Å; D191-H199 PolarHBondContact OD1-NE2 3.42Å; D191-H199 IonicContact OD2-NE2 2.75Å |
| 192 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R144 K185 W188 G189 E194 | R144-A192 PolarHBondContact NH1-O 3.44Å; R144-A192 PolarHBondContact NH2-O 3.45Å; K185-A192 HydrophobicContact CG-CB 3.91Å; W188-A192 HydrophobicContact CB-CB 3.72Å; G189-A192 WeakPolarHBondContact O-CB 3.33Å; G189-A192 PolarHBondContact O-N 3.13Å; A192-E194 VanDerWaalsContact C-N 3.34Å |
| 193 | D | 95.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -12.1 | 178.9 | -57.4 | -52 | 0 | 0 | 0 | 113.1 | Y183 K185 D191 | Y183-D193 WeakPolarHBondContact CD1-OD1 3.44Å; K185-D193 WeakPolarHBondContact CE-OD2 3.46Å; K185-D193 IonicContact NZ-OD2 3.85Å; K185-D193 PolarHBondContact NZ-OD2 3.29Å; D191-D193 PolarHBondContact O-N 2.96Å |
| 194 | E | 95.8 | Very high | 92 | Very high | 107 Ų | 107 | 66.2 Ų | 66.2 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -98.8 | 161.7 | -175 | -58.1 | -58.9 | 152.6 | 0 | 0 | 112.1 | R144 D191 A192 V196 | R144-E194 PolarHBondContact NH2-O 2.93Å; D191-E194 WeakPolarHBondContact O-CB 3.41Å; D191-E194 PolarHBondContact O-N 3.27Å; A192-E194 VanDerWaalsContact C-N 3.34Å; E194-V196 HydrophobicContact CB-CG2 4.08Å; E194-V196 PolarHBondContact O-N 3.46Å |
| 195 | F | 97.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | trans | -87.3 | 95.9 | 175.6 | -173.5 | -111.7 | 0 | 0 | 0 | 110.4 | E100 H104 I107 V138 E141 L145 P197 | E100-F195 HydrophobicContact CB-CD1 3.92Å; E100-F195 HydrophobicContact CB-CD2 3.99Å; E100-F195 HydrophobicContact CB-CE1 3.79Å; E100-F195 HydrophobicContact CB-CE2 3.87Å; E100-F195 HydrophobicContact CB-CG 4.01Å; E100-F195 HydrophobicContact CB-CZ 3.77Å; E100-F195 HydrophobicContact CG-CD1 4.47Å; E100-F195 HydrophobicContact CG-CD2 3.82Å; E100-F195 HydrophobicContact CG-CE2 4.01Å; E100-F195 HydrophobicContact CG-CG 4.06Å; E100-F195 HydrophobicContact CG-CZ 4.43Å; H104-F195 AromaticContact ND1-CD1 3.83Å; I107-F195 HydrophobicContact CD1-CD1 3.78Å; I107-F195 HydrophobicContact CD1-CE1 4.19Å; I107-F195 HydrophobicContact CG2-CE1 4.09Å; V138-F195 HydrophobicContact CG1-CZ 4.11Å; E141-F195 HydrophobicContact CB-CD2 4.27Å; E141-F195 HydrophobicContact CB-CE2 3.88Å; E141-F195 HydrophobicContact CG-CD2 3.49Å; E141-F195 VanDerWaalsContact CG-CD2 3.49Å; E141-F195 HydrophobicContact CG-CE2 3.63Å; E141-F195 HydrophobicContact CG-CG 4.24Å; E141-F195 HydrophobicContact CG-CZ 4.45Å; L145-F195 HydrophobicContact CD1-CB 3.86Å; L145-F195 HydrophobicContact CD1-CD2 3.76Å; L145-F195 HydrophobicContact CD1-CG 4.32Å; F195-P197 HydrophobicContact CD1-CG 4.28Å; F195-P197 HydrophobicContact CE1-CG 3.88Å; F195-P197 HydrophobicContact CZ-CG 4.28Å; F195-P197 WeakPolarHBondContact O-CD 3.27Å | ||
| 196 | V | 96.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | trans | -121.1 | 89.1 | -176.8 | -174 | 0 | 0 | 0 | 0 | 110 | E141 D191 E194 E198 H199 | E141-V196 VanDerWaalsContact CD-O 3.23Å; E141-V196 PolarHBondContact OE1-N 2.96Å; D191-V196 HydrophobicContact CB-CG2 4.38Å; E194-V196 HydrophobicContact CB-CG2 4.08Å; E194-V196 PolarHBondContact O-N 3.46Å; V196-E198 HydrophobicContact CG1-CB 4.47Å; V196-E198 PolarHBondContact O-N 3.35Å; V196-H199 PolarHBondContact O-N 3.35Å | ||
| 197 | P | 97.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -28.3 | -179.6 | -29 | 36.1 | 0 | 0 | 0 | 114.5 | I107 Y134 C137 V138 F195 H199 | I107-P197 HydrophobicContact CD1-CG 3.99Å; I107-P197 HydrophobicContact CG2-CG 3.85Å; Y134-P197 HydrophobicContact CE2-CB 3.97Å; C137-P197 HydrophobicContact CB-CB 3.96Å; C137-P197 WeakPolarHBondContact CB-O 3.4Å; C137-P197 PolarHBondContact SG-O 3.37Å; C137-P197 VanDerWaalsContact SG-O 3.4Å; V138-P197 HydrophobicContact CG2-CB 4.02Å; V138-P197 HydrophobicContact CG2-CG 3.96Å; F195-P197 HydrophobicContact CD1-CG 4.28Å; F195-P197 HydrophobicContact CE1-CG 3.88Å; F195-P197 HydrophobicContact CZ-CG 4.28Å; F195-P197 WeakPolarHBondContact O-CD 3.27Å; P197-H199 VanDerWaalsContact C-N 3.28Å; P197-H199 PolarHBondContact O-N 3.03Å |
| 198 | E | 93.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.9 | -175.3 | -66.7 | 84.9 | 171.5 | 0 | 0 | 115.3 | K110 Y134 V196 Q200 | K110-E198 IonicContact NZ-OE1 3.85Å; K110-E198 PolarHBondContact NZ-OE1 3.16Å; Y134-E198 HydrophobicContact CE2-CG 4.43Å; Y134-E198 VanDerWaalsContact CE2-OE1 3.31Å; Y134-E198 WeakPolarHBondContact CE2-OE1 3.44Å; Y134-E198 PolarHBondContact OH-OE1 2.74Å; V196-E198 HydrophobicContact CG1-CB 4.47Å; V196-E198 PolarHBondContact O-N 3.35Å; E198-Q200 PolarHBondContact O-N 3.24Å; E198-Q200 VanDerWaalsContact O-N 3.14Å |
| 199 | H | 89.4 | Confident | 92 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | trans | -53.5 | 122.1 | 175.1 | -80.4 | 157.4 | 0 | 0 | 0 | 111.7 | E141 W188 D191 V196 P197 L201 | E141-H199 IonicContact OE1-CE1 3.58Å; E141-H199 IonicContact OE1-ND1 3.86Å; E141-H199 IonicContact OE2-ND1 3.05Å; W188-H199 HydrophobicContact CE3-CB 4.16Å; W188-H199 AromaticContact CE3-ND1 3.71Å; W188-H199 HydrophobicContact CZ3-CB 4.11Å; W188-H199 PolarHBondContact O-NE2 2.91Å; D191-H199 IonicContact OD1-CE1 3.8Å; D191-H199 IonicContact OD1-NE2 3.66Å; D191-H199 PolarHBondContact OD1-NE2 3.42Å; D191-H199 IonicContact OD2-NE2 2.75Å; V196-H199 PolarHBondContact O-N 3.35Å; P197-H199 VanDerWaalsContact C-N 3.28Å; P197-H199 PolarHBondContact O-N 3.03Å; H199-L201 PolarHBondContact O-N 3.32Å | ||
| 200 | Q | 78.8 | Confident | 92.2 | Very high | 156 Ų | 156 | 58 Ų | 58 | 73% | 0.729 | 32% | 0.315 | S | S | * | . | trans | -82.5 | 108.3 | -177.8 | -66.4 | -176.2 | 16 | 0 | 0 | 110.5 | E198 S203 | E198-Q200 PolarHBondContact O-N 3.24Å; E198-Q200 VanDerWaalsContact O-N 3.14Å; Q200-S203 PolarHBondContact O-OG 3.16Å; Q200-S203 VanDerWaalsContact O-OG 3.08Å | ||
| 201 | L | 76.1 | Confident | 92.2 | Very high | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | trans | -85.3 | -24.6 | -171.4 | -70.4 | 148.8 | 0 | 0 | 0 | 113.3 | R140 W188 H199 S203 L204 W209 | R140-L201 HydrophobicContact CB-CD1 4.22Å; W188-L201 HydrophobicContact CH2-CD2 3.21Å; W188-L201 HydrophobicContact CZ2-CD2 4.41Å; W188-L201 HydrophobicContact CZ3-CD2 3.38Å; W188-L201 HydrophobicContact CZ3-CG 4.32Å; H199-L201 PolarHBondContact O-N 3.32Å; L201-S203 PolarHBondContact O-N 2.97Å; L201-L204 HydrophobicContact CD2-CD1 4.16Å; L201-L204 WeakPolarHBondContact O-CB 3.32Å; L201-L204 PolarHBondContact O-N 3.18Å; L201-W209 HydrophobicContact CD2-CB 3.96Å; L201-W209 HydrophobicContact CD2-CG 4.16Å | ||
| 202 | D | 79.3 | Confident | 92.2 | Very high | 162 Ų | 162 | 51.6 Ų | 51.6 | 87% | 0.866 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.6 | -174 | -62 | -22.4 | 0 | 0 | 0 | 112.5 | ||
| 203 | S | 84 | Confident | 92.2 | Very high | 94 Ų | 94 | 51.8 Ų | 51.8 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.5 | 171.7 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | Q200 L201 | Q200-S203 PolarHBondContact O-OG 3.16Å; Q200-S203 VanDerWaalsContact O-OG 3.08Å; L201-S203 PolarHBondContact O-N 2.97Å |
| 204 | L | 91 | Very high | 92.2 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -93.7 | 160.9 | -175.6 | -56.6 | -175.4 | 0 | 0 | 0 | 112.1 | I187 W188 L201 A208 | I187-L204 HydrophobicContact CG2-CD1 4.39Å; I187-L204 VanDerWaalsContact O-CD2 3.23Å; I187-L204 WeakPolarHBondContact O-CD2 3.4Å; W188-L204 HydrophobicContact CD2-CD1 4.05Å; W188-L204 HydrophobicContact CE3-CD1 3.66Å; W188-L204 HydrophobicContact CH2-CD1 3.87Å; W188-L204 HydrophobicContact CZ2-CD1 4.22Å; W188-L204 HydrophobicContact CZ3-CD1 3.56Å; L201-L204 HydrophobicContact CD2-CD1 4.16Å; L201-L204 WeakPolarHBondContact O-CB 3.32Å; L201-L204 PolarHBondContact O-N 3.18Å; L204-A208 HydrophobicContact CB-CB 3.95Å; L204-A208 HydrophobicContact CD1-CB 4.24Å |
| 205 | H | 94.6 | Very high | 92.2 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -58.1 | 140.5 | 171.3 | -178 | -88.5 | 0 | 0 | 0 | 110.6 | L13 E14 L207 A208 | L13-H205 HydrophobicContact CD1-CB 3.66Å; E14-H205 IonicContact OE1-NE2 3.51Å; H205-L207 PolarHBondContact ND1-N 3.38Å; H205-L207 PolarHBondContact O-N 3.46Å; H205-A208 WeakPolarHBondContact O-CB 3.49Å; H205-A208 PolarHBondContact O-N 2.99Å | ||
| 206 | P | 93.9 | Very high | 92.2 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 74% | 0.74 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.8 | -175.4 | -28 | 35.6 | 0 | 0 | 0 | 116.2 | ||
| 207 | L | 96.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.7 | 176.2 | -59.7 | -177 | 0 | 0 | 0 | 114.4 | L13 L16 I21 H205 W209 I210 A214 | L13-L207 HydrophobicContact CD2-CB 4.09Å; L16-L207 HydrophobicContact CB-CD1 4.05Å; I21-L207 HydrophobicContact CD1-CD2 4.22Å; H205-L207 PolarHBondContact ND1-N 3.38Å; H205-L207 PolarHBondContact O-N 3.46Å; L207-W209 VanDerWaalsContact C-N 3.27Å; L207-W209 PolarHBondContact O-N 2.91Å; L207-I210 HydrophobicContact CB-CG2 4.21Å; L207-I210 HydrophobicContact CD2-CG2 3.86Å; L207-I210 WeakPolarHBondContact O-CG2 3.47Å; L207-A214 HydrophobicContact CD2-CB 3.35Å |
| 208 | A | 96.5 | Very high | 92 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -63.6 | -35.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I181 H182 I187 W188 L204 H205 | I181-A208 WeakPolarHBondContact CG2-O 3.49Å; H182-A208 PolarHBondContact CD2-O 2.89Å; I187-A208 HydrophobicContact CG2-CB 3.63Å; W188-A208 HydrophobicContact CZ2-CB 4.2Å; W188-A208 WeakPolarHBondContact CZ2-O 3.22Å; L204-A208 HydrophobicContact CB-CB 3.95Å; L204-A208 HydrophobicContact CD1-CB 4.24Å; H205-A208 WeakPolarHBondContact O-CB 3.49Å; H205-A208 PolarHBondContact O-N 2.99Å |
| 209 | W | 96.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | trans | -117.5 | 99.6 | 179.8 | -170.3 | 84.8 | 0 | 0 | 0 | 110.8 | R140 L143 W188 L201 L207 P211 F212 | R140-W209 HydrophobicContact CB-CZ2 4Å; R140-W209 HydrophobicContact CG-CH2 4.26Å; R140-W209 HydrophobicContact CG-CZ2 3.84Å; R140-W209 PolarHBondContact O-NE1 3.29Å; L143-W209 HydrophobicContact CB-CZ2 3.97Å; L143-W209 HydrophobicContact CD1-CH2 4.34Å; L143-W209 HydrophobicContact CD1-CZ2 4Å; W188-W209 HydrophobicContact CH2-CB 4.05Å; W188-W209 AromaticContact CH2-CD1 3.91Å; W188-W209 HydrophobicContact CH2-CG 4.38Å; W188-W209 HydrophobicContact CZ2-CB 4.23Å; L201-W209 HydrophobicContact CD2-CB 3.96Å; L201-W209 HydrophobicContact CD2-CG 4.16Å; L207-W209 VanDerWaalsContact C-N 3.27Å; L207-W209 PolarHBondContact O-N 2.91Å; W209-P211 VanDerWaalsContact C-CD 3.4Å; W209-P211 VanDerWaalsContact CD2-CD 3.43Å; W209-P211 HydrophobicContact CD2-CG 3.79Å; W209-P211 VanDerWaalsContact CE2-CG 3.42Å; W209-P211 HydrophobicContact CE3-CG 4Å; W209-P211 HydrophobicContact CH2-CG 3.57Å; W209-P211 HydrophobicContact CZ2-CG 3.32Å; W209-P211 HydrophobicContact CZ3-CG 3.9Å; W209-F212 HydrophobicContact CH2-CD2 4.12Å; W209-F212 HydrophobicContact CH2-CE2 4.04Å; W209-F212 HydrophobicContact CZ3-CD2 4.41Å | ||
| 210 | I | 96.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -129.5 | 43.2 | -175 | 56.4 | 169.6 | 0 | 0 | 0 | 114.6 | V176 V178 I181 H182 L207 F212 G213 A214 | V176-I210 HydrophobicContact CG1-CD1 4.06Å; V178-I210 HydrophobicContact CG1-CG1 4.19Å; V178-I210 HydrophobicContact CG2-CD1 4.1Å; V178-I210 HydrophobicContact CG2-CG1 4.39Å; I181-I210 HydrophobicContact CD1-CD1 3.94Å; H182-I210 PolarHBondContact NE2-N 3.37Å; L207-I210 HydrophobicContact CB-CG2 4.21Å; L207-I210 HydrophobicContact CD2-CG2 3.86Å; L207-I210 WeakPolarHBondContact O-CG2 3.47Å; I210-F212 PolarHBondContact O-N 2.73Å; I210-F212 VanDerWaalsContact O-N 3.14Å; I210-G213 WeakPolarHBondContact O-CA 3.48Å; I210-G213 PolarHBondContact O-N 3.05Å; I210-A214 HydrophobicContact CG2-CB 4.1Å | ||
| 211 | P | 95.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.6 | -179.9 | 27.6 | -34.1 | 0 | 0 | 0 | 113.6 | L143 W209 | L143-P211 HydrophobicContact CB-CB 3.81Å; L143-P211 HydrophobicContact CB-CG 3.83Å; L143-P211 HydrophobicContact CD1-CG 4.5Å; L143-P211 HydrophobicContact CD2-CB 4.45Å; L143-P211 WeakPolarHBondContact O-CB 3.48Å; W209-P211 VanDerWaalsContact C-CD 3.4Å; W209-P211 VanDerWaalsContact CD2-CD 3.43Å; W209-P211 HydrophobicContact CD2-CG 3.79Å; W209-P211 VanDerWaalsContact CE2-CG 3.42Å; W209-P211 HydrophobicContact CE3-CG 4Å; W209-P211 HydrophobicContact CH2-CG 3.57Å; W209-P211 HydrophobicContact CZ2-CG 3.32Å; W209-P211 HydrophobicContact CZ3-CG 3.9Å |
| 212 | F | 95.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 10.8 | 174.1 | -64.4 | -71.2 | 0 | 0 | 0 | 113.1 | L143 W209 I210 R218 C219 E222 A225 L226 | L143-F212 HydrophobicContact CD1-CE2 3.62Å; L143-F212 HydrophobicContact CD1-CZ 3.77Å; W209-F212 HydrophobicContact CH2-CD2 4.12Å; W209-F212 HydrophobicContact CH2-CE2 4.04Å; W209-F212 HydrophobicContact CZ3-CD2 4.41Å; I210-F212 PolarHBondContact O-N 2.73Å; I210-F212 VanDerWaalsContact O-N 3.14Å; F212-R218 HydrophobicContact CB-CG 4.42Å; F212-R218 WeakPolarHBondContact O-CA 3.35Å; F212-C219 HydrophobicContact CB-CB 3.79Å; F212-C219 HydrophobicContact CD1-CB 3.76Å; F212-C219 HydrophobicContact CG-CB 4.2Å; F212-C219 PolarHBondContact O-N 3.47Å; F212-E222 HydrophobicContact CB-CB 4.32Å; F212-E222 HydrophobicContact CB-CG 4.28Å; F212-E222 HydrophobicContact CD1-CB 3.96Å; F212-E222 HydrophobicContact CD1-CG 4.16Å; F212-E222 HydrophobicContact CD2-CB 4.22Å; F212-E222 HydrophobicContact CD2-CG 3.52Å; F212-E222 WeakPolarHBondContact CD2-OE1 3.49Å; F212-E222 HydrophobicContact CE1-CB 4.33Å; F212-E222 HydrophobicContact CE1-CG 4.4Å; F212-E222 HydrophobicContact CE2-CG 3.79Å; F212-E222 HydrophobicContact CG-CB 3.9Å; F212-E222 HydrophobicContact CG-CG 3.71Å; F212-E222 HydrophobicContact CZ-CG 4.22Å; F212-A225 HydrophobicContact CE1-CB 4.15Å; F212-A225 HydrophobicContact CZ-CB 4.37Å; F212-L226 HydrophobicContact CE2-CD1 4.38Å; F212-L226 HydrophobicContact CE2-CD2 3.99Å; F212-L226 HydrophobicContact CE2-CG 4.13Å; F212-L226 HydrophobicContact CZ-CD2 4.13Å; F212-L226 HydrophobicContact CZ-CG 4.16Å |
| 213 | G | 95.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | trans | 66.9 | -172.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I210 | I210-G213 WeakPolarHBondContact O-CA 3.48Å; I210-G213 PolarHBondContact O-N 3.05Å | ||
| 214 | A | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | trans | -135.2 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L20 L207 I210 | L20-A214 HydrophobicContact CB-CB 4.42Å; L20-A214 HydrophobicContact CD1-CB 4.04Å; L207-A214 HydrophobicContact CD2-CB 3.35Å; I210-A214 HydrophobicContact CG2-CB 4.1Å | ||
| 215 | G | 96.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | 66.1 | -157.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R217 R218 | G215-R217 PolarHBondContact O-N 2.89Å; G215-R218 VanDerWaalsContact O-CB 3.23Å; G215-R218 WeakPolarHBondContact O-CB 3.41Å; G215-R218 PolarHBondContact O-N 2.97Å |
| 216 | P | 96 | Very high | 94.8 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.7 | -27.5 | -174.2 | -27.9 | 37 | 0 | 0 | 0 | 114.2 | L20 F24 W47 | L20-P216 WeakPolarHBondContact O-CD 3.45Å; F24-P216 HydrophobicContact CB-CG 4.2Å; F24-P216 HydrophobicContact CD1-CB 4.13Å; F24-P216 HydrophobicContact CD1-CG 3.89Å; F24-P216 HydrophobicContact CD2-CB 4.12Å; F24-P216 HydrophobicContact CD2-CG 3.9Å; F24-P216 HydrophobicContact CE1-CB 3.96Å; F24-P216 HydrophobicContact CE1-CG 4.25Å; F24-P216 HydrophobicContact CE2-CB 3.97Å; F24-P216 HydrophobicContact CE2-CG 4.28Å; F24-P216 HydrophobicContact CG-CB 4.2Å; F24-P216 HydrophobicContact CG-CG 3.69Å; F24-P216 HydrophobicContact CZ-CB 3.88Å; F24-P216 HydrophobicContact CZ-CG 4.43Å; W47-P216 HydrophobicContact CH2-CB 3.62Å; W47-P216 WeakPolarHBondContact CH2-O 3.49Å; W47-P216 WeakPolarHBondContact CZ2-O 3.23Å; W47-P216 HydrophobicContact CZ3-CB 4.17Å |
| 217 | R | 95.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -87.9 | 2.2 | 179.7 | -76.2 | -92.1 | -176.6 | -175.8 | -9.5 | 114.3 | F24 H28 F40 A42 W47 G215 | F24-R217 HydrophobicContact CE2-CB 4.42Å; F24-R217 HydrophobicContact CE2-CG 3.49Å; F24-R217 VanDerWaalsContact CE2-CG 3.49Å; F24-R217 HydrophobicContact CZ-CG 3.91Å; H28-R217 PolarHBondContact O-NE 3.33Å; H28-R217 PolarHBondContact O-NH2 3.21Å; F40-R217 PolarHBondContact O-NH1 2.78Å; A42-R217 VanDerWaalsContact O-CZ 3.3Å; A42-R217 PolarHBondContact O-NH1 2.89Å; A42-R217 PolarHBondContact O-NH2 3.32Å; W47-R217 VanDerWaalsContact CG-CZ 3.42Å; W47-R217 VanDerWaalsContact CG-NH2 3.27Å; W47-R217 HydrophobicContact CH2-CG 4.48Å; W47-R217 HydrophobicContact CZ2-CG 4.04Å; G215-R217 PolarHBondContact O-N 2.89Å |
| 218 | R | 95.7 | Very high | 94.3 | Very high | 98 Ų | 98 | 36.2 Ų | 36.2 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -50.4 | 144.3 | 175.7 | -173.9 | 168 | -175.7 | 155.8 | 8.4 | 110.8 | R51 F212 G215 I220 E222 | R51-R218 VanDerWaalsContact CZ-O 3.25Å; R51-R218 PolarHBondContact NH1-O 3.43Å; R51-R218 PolarHBondContact NH2-O 2.83Å; F212-R218 HydrophobicContact CB-CG 4.42Å; F212-R218 WeakPolarHBondContact O-CA 3.35Å; G215-R218 VanDerWaalsContact O-CB 3.23Å; G215-R218 WeakPolarHBondContact O-CB 3.41Å; G215-R218 PolarHBondContact O-N 2.97Å; R218-I220 PolarHBondContact O-N 2.66Å; R218-E222 IonicContact CZ-OE1 2.79Å; R218-E222 IonicContact CZ-OE2 2.71Å; R218-E222 IonicContact NE-OE1 2.79Å; R218-E222 PolarHBondContact NE-OE1 2.92Å; R218-E222 IonicContact NE-OE2 3.23Å; R218-E222 PolarHBondContact NE-OE2 3.44Å; R218-E222 IonicContact NH2-OE1 3.35Å; R218-E222 PolarHBondContact NH2-OE1 2.85Å; R218-E222 IonicContact NH2-OE2 3.05Å |
| 219 | C | 95.7 | Very high | 94.1 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 37% | 0.372 | 19% | 0.187 | S | C | . | . | trans | -49.8 | 131.7 | -174.2 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | F212 G221 E222 | F212-C219 HydrophobicContact CB-CB 3.79Å; F212-C219 HydrophobicContact CD1-CB 3.76Å; F212-C219 HydrophobicContact CG-CB 4.2Å; F212-C219 PolarHBondContact O-N 3.47Å; C219-G221 VanDerWaalsContact C-N 3.29Å; C219-G221 PolarHBondContact SG-N 2.67Å; C219-G221 VanDerWaalsContact SG-N 3.43Å; C219-E222 HydrophobicContact CB-CB 4.29Å | ||
| 220 | I | 95 | Very high | 93.9 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -30.6 | 177.5 | -155 | 169.3 | 0 | 0 | 0 | 111.8 | M39 A55 F58 R218 | M39-I220 HydrophobicContact CE-CD1 4.12Å; M39-I220 HydrophobicContact CE-CG2 4.09Å; M39-I220 HydrophobicContact SD-CD1 4.16Å; A55-I220 HydrophobicContact CB-CD1 4.06Å; F58-I220 HydrophobicContact CB-CG1 4.49Å; F58-I220 WeakPolarHBondContact CB-O 3.45Å; F58-I220 HydrophobicContact CD2-CB 4.33Å; F58-I220 HydrophobicContact CD2-CD1 3.89Å; F58-I220 HydrophobicContact CD2-CG1 3.75Å; F58-I220 HydrophobicContact CD2-CG2 3.81Å; F58-I220 HydrophobicContact CE1-CG2 4.4Å; F58-I220 HydrophobicContact CE2-CD1 4.22Å; F58-I220 HydrophobicContact CE2-CG1 4.31Å; F58-I220 HydrophobicContact CE2-CG2 3.58Å; F58-I220 HydrophobicContact CG-CG1 4.27Å; F58-I220 HydrophobicContact CG-CG2 4.31Å; F58-I220 HydrophobicContact CZ-CG2 3.9Å; R218-I220 PolarHBondContact O-N 2.66Å |
| 221 | G | 93.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | C219 R223 F224 A225 | C219-G221 VanDerWaalsContact C-N 3.29Å; C219-G221 PolarHBondContact SG-N 2.67Å; C219-G221 VanDerWaalsContact SG-N 3.43Å; G221-R223 VanDerWaalsContact C-N 3.31Å; G221-R223 PolarHBondContact O-N 3.13Å; G221-F224 WeakPolarHBondContact O-CB 3.39Å; G221-F224 PolarHBondContact O-N 2.78Å; G221-A225 PolarHBondContact O-N 3.2Å |
| 222 | E | 94.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51 | -49.5 | -179.5 | 170.6 | 170.6 | -161.4 | 0 | 0 | 112 | F212 R218 C219 F224 A225 L226 | F212-E222 HydrophobicContact CB-CB 4.32Å; F212-E222 HydrophobicContact CB-CG 4.28Å; F212-E222 HydrophobicContact CD1-CB 3.96Å; F212-E222 HydrophobicContact CD1-CG 4.16Å; F212-E222 HydrophobicContact CD2-CB 4.22Å; F212-E222 HydrophobicContact CD2-CG 3.52Å; F212-E222 WeakPolarHBondContact CD2-OE1 3.49Å; F212-E222 HydrophobicContact CE1-CB 4.33Å; F212-E222 HydrophobicContact CE1-CG 4.4Å; F212-E222 HydrophobicContact CE2-CG 3.79Å; F212-E222 HydrophobicContact CG-CB 3.9Å; F212-E222 HydrophobicContact CG-CG 3.71Å; F212-E222 HydrophobicContact CZ-CG 4.22Å; R218-E222 IonicContact CZ-OE1 2.79Å; R218-E222 IonicContact CZ-OE2 2.71Å; R218-E222 IonicContact NE-OE1 2.79Å; R218-E222 PolarHBondContact NE-OE1 2.92Å; R218-E222 IonicContact NE-OE2 3.23Å; R218-E222 PolarHBondContact NE-OE2 3.44Å; R218-E222 IonicContact NH2-OE1 3.35Å; R218-E222 PolarHBondContact NH2-OE1 2.85Å; R218-E222 IonicContact NH2-OE2 3.05Å; C219-E222 HydrophobicContact CB-CB 4.29Å; E222-F224 VanDerWaalsContact C-N 3.31Å; E222-F224 PolarHBondContact O-N 2.71Å; E222-A225 PolarHBondContact O-N 2.81Å; E222-L226 HydrophobicContact CG-CD1 3.93Å; E222-L226 WeakPolarHBondContact O-CB 3.14Å; E222-L226 VanDerWaalsContact O-CG 3.32Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 2.88Å |
| 223 | R | 92.8 | Very high | 93.2 | Very high | 159 Ų | 159 | 33.5 Ų | 33.5 | 60% | 0.6 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.3 | -36 | 178.8 | -66 | -177.6 | -179.5 | -179.5 | 0.4 | 113.1 | L63 G221 L227 | L63-R223 HydrophobicContact CD1-CB 3.66Å; G221-R223 VanDerWaalsContact C-N 3.31Å; G221-R223 PolarHBondContact O-N 3.13Å; R223-L227 VanDerWaalsContact O-CB 3.25Å; R223-L227 WeakPolarHBondContact O-CB 3.17Å; R223-L227 PolarHBondContact O-N 3.14Å; R223-L227 VanDerWaalsContact O-N 3.12Å |
| 224 | F | 90.6 | Very high | 93 | Very high | 64 Ų | 64 | 33.2 Ų | 33.2 | 28% | 0.281 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 176.1 | 176.4 | -95.1 | 0 | 0 | 0 | 110.4 | F58 L63 V66 Y67 G221 E222 L226 L227 E228 | F58-F224 HydrophobicContact CD1-CB 4.28Å; L63-F224 HydrophobicContact CD2-CB 3.65Å; L63-F224 HydrophobicContact CD2-CD2 3.57Å; L63-F224 HydrophobicContact CD2-CG 4.09Å; V66-F224 HydrophobicContact CG1-CE2 4.33Å; Y67-F224 HydrophobicContact CE2-CD2 4.06Å; Y67-F224 AromaticContact CE2-CE2 3.88Å; Y67-F224 HydrophobicContact CE2-CE2 3.88Å; Y67-F224 AromaticContact CZ-CE2 3.92Å; Y67-F224 VanDerWaalsContact OH-CE2 3.31Å; Y67-F224 WeakPolarHBondContact OH-CE2 3.44Å; G221-F224 WeakPolarHBondContact O-CB 3.39Å; G221-F224 PolarHBondContact O-N 2.78Å; E222-F224 VanDerWaalsContact C-N 3.31Å; E222-F224 PolarHBondContact O-N 2.71Å; F224-L226 PolarHBondContact O-N 2.7Å; F224-L227 PolarHBondContact O-N 3.15Å; F224-E228 WeakPolarHBondContact O-CB 3.5Å; F224-E228 PolarHBondContact O-N 2.89Å |
| 225 | A | 90.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F212 G221 E222 L227 E228 M229 | F212-A225 HydrophobicContact CE1-CB 4.15Å; F212-A225 HydrophobicContact CZ-CB 4.37Å; G221-A225 PolarHBondContact O-N 3.2Å; E222-A225 PolarHBondContact O-N 2.81Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 PolarHBondContact O-N 3.32Å; A225-E228 WeakPolarHBondContact O-CB 3.48Å; A225-E228 PolarHBondContact O-N 3.29Å; A225-M229 WeakPolarHBondContact O-CG 3.36Å; A225-M229 PolarHBondContact O-N 3.23Å |
| 226 | L | 93.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 176.9 | -68.9 | 174 | 0 | 0 | 0 | 111.5 | I139 L143 F212 E222 F224 M229 K230 | I139-L226 HydrophobicContact CG2-CD2 3.56Å; L143-L226 HydrophobicContact CD1-CD2 3.85Å; F212-L226 HydrophobicContact CE2-CD1 4.38Å; F212-L226 HydrophobicContact CE2-CD2 3.99Å; F212-L226 HydrophobicContact CE2-CG 4.13Å; F212-L226 HydrophobicContact CZ-CD2 4.13Å; F212-L226 HydrophobicContact CZ-CG 4.16Å; E222-L226 HydrophobicContact CG-CD1 3.93Å; E222-L226 WeakPolarHBondContact O-CB 3.14Å; E222-L226 VanDerWaalsContact O-CG 3.32Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 2.88Å; F224-L226 PolarHBondContact O-N 2.7Å; L226-M229 PolarHBondContact O-N 2.81Å; L226-K230 WeakPolarHBondContact O-CB 3.37Å; L226-K230 WeakPolarHBondContact O-CG 3.26Å; L226-K230 PolarHBondContact O-N 3.49Å |
| 227 | L | 91.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.7 | 178.4 | 63 | 0 | 0 | 0 | 112.2 | L63 Y67 Y126 V129 R223 F224 A225 K230 L231 | L63-L227 HydrophobicContact CB-CD2 4.09Å; Y67-L227 HydrophobicContact CD2-CD2 3.3Å; Y67-L227 HydrophobicContact CD2-CG 3.95Å; Y67-L227 HydrophobicContact CE2-CB 4.44Å; Y67-L227 HydrophobicContact CE2-CD2 3.3Å; Y67-L227 HydrophobicContact CE2-CG 3.73Å; Y67-L227 HydrophobicContact CG-CD2 4.21Å; Y126-L227 HydrophobicContact CD2-CD1 3.6Å; Y126-L227 HydrophobicContact CD2-CD2 3.51Å; Y126-L227 HydrophobicContact CD2-CG 4.22Å; Y126-L227 HydrophobicContact CE2-CD1 4.03Å; Y126-L227 HydrophobicContact CE2-CD2 3.7Å; Y126-L227 HydrophobicContact CE2-CG 4.48Å; V129-L227 HydrophobicContact CG2-CD1 3.9Å; R223-L227 VanDerWaalsContact O-CB 3.25Å; R223-L227 WeakPolarHBondContact O-CB 3.17Å; R223-L227 PolarHBondContact O-N 3.14Å; R223-L227 VanDerWaalsContact O-N 3.12Å; F224-L227 PolarHBondContact O-N 3.15Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 PolarHBondContact O-N 3.32Å; L227-K230 PolarHBondContact O-N 2.92Å; L227-L231 HydrophobicContact CD1-CD1 3.78Å; L227-L231 HydrophobicContact CD1-CG 4Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 WeakPolarHBondContact O-CG 3.28Å; L227-L231 PolarHBondContact O-N 3.05Å |
| 228 | E | 88 | Confident | 91.9 | Very high | 76 Ų | 76 | 32.2 Ų | 32.2 | 36% | 0.355 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 176 | -167.3 | 179.1 | -172.4 | 0 | 0 | 111.2 | Y67 F224 A225 T232 | Y67-E228 WeakPolarHBondContact OH-CA 3.37Å; Y67-E228 VanDerWaalsContact OH-CB 3.23Å; Y67-E228 WeakPolarHBondContact OH-CB 3.39Å; Y67-E228 PolarHBondContact OH-N 3.03Å; F224-E228 WeakPolarHBondContact O-CB 3.5Å; F224-E228 PolarHBondContact O-N 2.89Å; A225-E228 WeakPolarHBondContact O-CB 3.48Å; A225-E228 PolarHBondContact O-N 3.29Å; E228-T232 VanDerWaalsContact O-CB 3.23Å; E228-T232 WeakPolarHBondContact O-CB 2.7Å; E228-T232 PolarHBondContact O-N 3.36Å; E228-T232 PolarHBondContact O-OG1 3.24Å |
| 229 | M | 92.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 177.4 | -70.8 | 178.1 | 72.7 | 0 | 0 | 110.9 | A93 L94 A97 I139 A225 L226 L231 T232 L233 | A93-M229 HydrophobicContact CB-CE 3.72Å; A93-M229 HydrophobicContact CB-SD 3.6Å; A93-M229 VanDerWaalsContact CB-SD 3.6Å; L94-M229 HydrophobicContact CB-CG 4.35Å; A97-M229 HydrophobicContact CB-CE 4.23Å; I139-M229 HydrophobicContact CB-CE 4.41Å; I139-M229 HydrophobicContact CD1-CB 3.88Å; I139-M229 HydrophobicContact CG1-CB 4.31Å; I139-M229 HydrophobicContact CG1-CE 4.22Å; I139-M229 HydrophobicContact CG2-CE 3.79Å; I139-M229 HydrophobicContact CG2-SD 3.99Å; A225-M229 WeakPolarHBondContact O-CG 3.36Å; A225-M229 PolarHBondContact O-N 3.23Å; L226-M229 PolarHBondContact O-N 2.81Å; M229-L231 PolarHBondContact O-N 2.72Å; M229-T232 PolarHBondContact O-N 3.04Å; M229-L233 WeakPolarHBondContact O-CB 3.41Å; M229-L233 VanDerWaalsContact O-CG 3.31Å; M229-L233 WeakPolarHBondContact O-CG 3.4Å; M229-L233 PolarHBondContact O-N 2.61Å |
| 230 | K | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.4 | -54.2 | -179.8 | -79.6 | -179.2 | 175.3 | -150.3 | 0 | 112.6 | V129 L135 D136 I139 L226 L227 T232 A234 | V129-K230 HydrophobicContact CB-CB 3.98Å; V129-K230 HydrophobicContact CB-CD 4.39Å; V129-K230 HydrophobicContact CG2-CB 3.92Å; V129-K230 HydrophobicContact CG2-CD 4.21Å; V129-K230 PolarHBondContact O-NZ 3.18Å; L135-K230 HydrophobicContact CD2-CB 3.85Å; L135-K230 HydrophobicContact CD2-CG 3.83Å; L135-K230 HydrophobicContact CG-CG 4.08Å; D136-K230 VanDerWaalsContact CG-CE 3.48Å; D136-K230 WeakPolarHBondContact OD1-CE 3.29Å; D136-K230 IonicContact OD1-NZ 3.19Å; D136-K230 PolarHBondContact OD1-NZ 3.22Å; D136-K230 IonicContact OD2-NZ 3.02Å; D136-K230 PolarHBondContact OD2-NZ 3.29Å; I139-K230 HydrophobicContact CD1-CB 4.21Å; I139-K230 HydrophobicContact CD1-CG 3.4Å; I139-K230 VanDerWaalsContact CD1-CG 3.4Å; L226-K230 WeakPolarHBondContact O-CB 3.37Å; L226-K230 WeakPolarHBondContact O-CG 3.26Å; L226-K230 PolarHBondContact O-N 3.49Å; L227-K230 PolarHBondContact O-N 2.92Å; K230-T232 VanDerWaalsContact C-N 3.3Å; K230-T232 PolarHBondContact O-N 3.01Å; K230-A234 WeakPolarHBondContact O-CB 3.48Å; K230-A234 PolarHBondContact O-N 2.94Å |
| 231 | L | 90.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | -178.6 | -72.5 | 170.9 | 0 | 0 | 0 | 111.3 | Y67 P124 V129 L227 M229 R235 | Y67-L231 HydrophobicContact CD1-CD1 3.17Å; Y67-L231 HydrophobicContact CD2-CD1 4.25Å; Y67-L231 HydrophobicContact CE1-CD1 3.61Å; Y67-L231 HydrophobicContact CG-CD1 3.52Å; P124-L231 HydrophobicContact CB-CD2 4.15Å; V129-L231 HydrophobicContact CB-CD2 4.49Å; V129-L231 HydrophobicContact CG1-CD2 3.8Å; V129-L231 HydrophobicContact CG2-CD2 3.88Å; V129-L231 HydrophobicContact CG2-CG 4.11Å; L227-L231 HydrophobicContact CD1-CD1 3.78Å; L227-L231 HydrophobicContact CD1-CG 4Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 WeakPolarHBondContact O-CG 3.28Å; L227-L231 PolarHBondContact O-N 3.05Å; M229-L231 PolarHBondContact O-N 2.72Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 VanDerWaalsContact O-CD 3.28Å; L231-R235 WeakPolarHBondContact O-CD 3.11Å; L231-R235 WeakPolarHBondContact O-CG 3.37Å; L231-R235 PolarHBondContact O-N 3.08Å |
| 232 | T | 89.2 | Confident | 91.4 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -49.1 | -178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | I75 L79 L94 E228 M229 K230 A234 R235 L236 | I75-T232 HydrophobicContact CG2-CG2 3.78Å; L79-T232 HydrophobicContact CD1-CG2 3.55Å; L94-T232 HydrophobicContact CD1-CG2 4.05Å; L94-T232 HydrophobicContact CD2-CG2 3.44Å; L94-T232 VanDerWaalsContact CD2-CG2 3.44Å; L94-T232 HydrophobicContact CG-CG2 4.37Å; E228-T232 VanDerWaalsContact O-CB 3.23Å; E228-T232 WeakPolarHBondContact O-CB 2.7Å; E228-T232 PolarHBondContact O-N 3.36Å; E228-T232 PolarHBondContact O-OG1 3.24Å; M229-T232 PolarHBondContact O-N 3.04Å; K230-T232 VanDerWaalsContact C-N 3.3Å; K230-T232 PolarHBondContact O-N 3.01Å; T232-A234 PolarHBondContact O-N 2.96Å; T232-R235 PolarHBondContact O-N 3.31Å; T232-L236 WeakPolarHBondContact O-CB 3.27Å; T232-L236 PolarHBondContact O-N 3.04Å |
| 233 | L | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 176.6 | -69.8 | 174.5 | 0 | 0 | 0 | 111.4 | L94 A97 I98 L101 L135 I139 M229 R235 L236 L237 | L94-L233 HydrophobicContact CD1-CD2 3.73Å; L94-L233 HydrophobicContact CD1-CG 3.75Å; A97-L233 HydrophobicContact CB-CD1 4.06Å; A97-L233 HydrophobicContact CB-CD2 4.29Å; I98-L233 HydrophobicContact CG1-CD2 3.71Å; L101-L233 HydrophobicContact CD1-CD2 3.83Å; L135-L233 HydrophobicContact CD1-CB 3.92Å; L135-L233 HydrophobicContact CD1-CD1 3.96Å; I139-L233 HydrophobicContact CD1-CD1 4.18Å; I139-L233 HydrophobicContact CG1-CD1 3.82Å; M229-L233 WeakPolarHBondContact O-CB 3.41Å; M229-L233 VanDerWaalsContact O-CG 3.31Å; M229-L233 WeakPolarHBondContact O-CG 3.4Å; M229-L233 PolarHBondContact O-N 2.61Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 2.71Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.23Å; L233-L237 PolarHBondContact O-N 3.23Å |
| 234 | A | 92.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I115 P124 V129 K230 T232 R238 | I115-A234 HydrophobicContact CG1-CB 4.45Å; I115-A234 HydrophobicContact CG2-CB 4.26Å; P124-A234 HydrophobicContact CB-CB 3.91Å; P124-A234 HydrophobicContact CG-CB 3.72Å; V129-A234 HydrophobicContact CG1-CB 4.07Å; K230-A234 WeakPolarHBondContact O-CB 3.48Å; K230-A234 PolarHBondContact O-N 2.94Å; T232-A234 PolarHBondContact O-N 2.96Å; A234-R238 WeakPolarHBondContact O-CD 3.4Å; A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 PolarHBondContact O-N 3.39Å |
| 235 | R | 88 | Confident | 91.4 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.4 | -39.8 | 178.6 | -72.5 | 164.1 | -173.4 | 164.6 | -6.3 | 112.4 | S71 D72 P124 L231 T232 L233 | S71-R235 PolarHBondContact OG-NH1 2.86Å; D72-R235 WeakPolarHBondContact OD1-CD 3.11Å; D72-R235 IonicContact OD1-CZ 3.68Å; D72-R235 IonicContact OD1-NE 2.76Å; D72-R235 PolarHBondContact OD1-NE 2.78Å; D72-R235 IonicContact OD1-NH1 2.72Å; D72-R235 PolarHBondContact OD1-NH1 3.02Å; D72-R235 IonicContact OD1-NH2 3.77Å; D72-R235 PolarHBondContact OD1-NH2 2.94Å; P124-R235 HydrophobicContact CB-CG 4.4Å; P124-R235 HydrophobicContact CG-CG 3.96Å; P124-R235 PolarHBondContact O-NH2 3.42Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 VanDerWaalsContact O-CD 3.28Å; L231-R235 WeakPolarHBondContact O-CD 3.11Å; L231-R235 WeakPolarHBondContact O-CG 3.37Å; L231-R235 PolarHBondContact O-N 3.08Å; T232-R235 PolarHBondContact O-N 3.31Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 2.96Å |
| 236 | L | 88.9 | Confident | 91.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -54 | -179 | -173.7 | 65.6 | 0 | 0 | 0 | 111 | F80 M87 I98 T232 L233 R238 K239 Y240 I242 L270 | F80-L236 HydrophobicContact CE2-CD1 4.04Å; F80-L236 HydrophobicContact CZ-CD1 3.72Å; M87-L236 HydrophobicContact CE-CD2 4.27Å; I98-L236 HydrophobicContact CD1-CD2 3.93Å; I98-L236 HydrophobicContact CG1-CD2 4.21Å; I98-L236 HydrophobicContact CG2-CD2 4.34Å; T232-L236 WeakPolarHBondContact O-CB 3.27Å; T232-L236 PolarHBondContact O-N 3.04Å; L233-L236 PolarHBondContact O-N 2.71Å; L236-R238 VanDerWaalsContact C-N 3.28Å; L236-R238 PolarHBondContact O-N 3.21Å; L236-K239 PolarHBondContact O-N 3.04Å; L236-K239 VanDerWaalsContact O-N 3.09Å; L236-Y240 HydrophobicContact CD1-CD2 3.97Å; L236-Y240 PolarHBondContact O-N 3.47Å; L236-I242 HydrophobicContact CD2-CD1 3.53Å; L236-I242 HydrophobicContact CD2-CG1 4.44Å; L236-I242 HydrophobicContact CG-CD1 4.12Å; L236-L270 HydrophobicContact CD1-CD1 4.23Å; L236-L270 HydrophobicContact CD1-CD2 4.28Å |
| 237 | L | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.2 | -20.9 | -173.8 | -66 | 175.6 | 0 | 0 | 0 | 113.7 | L101 Q108 L111 R112 I115 L233 K239 I242 | L101-L237 HydrophobicContact CD1-CD1 4.08Å; Q108-L237 HydrophobicContact CG-CD2 3.68Å; L111-L237 HydrophobicContact CB-CD1 4.4Å; L111-L237 HydrophobicContact CD2-CD1 3.44Å; L111-L237 VanDerWaalsContact CD2-CD1 3.44Å; L111-L237 HydrophobicContact CG-CD1 3.74Å; R112-L237 VanDerWaalsContact CD-O 3.31Å; R112-L237 WeakPolarHBondContact CD-O 3.42Å; R112-L237 VanDerWaalsContact CG-O 3.29Å; R112-L237 WeakPolarHBondContact CG-O 3.4Å; I115-L237 HydrophobicContact CD1-CB 3.87Å; I115-L237 HydrophobicContact CD1-CD1 3.81Å; I115-L237 HydrophobicContact CD1-CG 4.45Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.23Å; L233-L237 PolarHBondContact O-N 3.23Å; L237-K239 PolarHBondContact O-N 3.4Å; L237-I242 HydrophobicContact CD2-CD1 3.62Å; L237-I242 HydrophobicContact CD2-CG1 3.97Å |
| 238 | R | 90.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -31.1 | 171.1 | -79.4 | 175 | 76.9 | -126.3 | -1 | 113.1 | I115 M116 H119 E122 A234 L236 | I115-R238 HydrophobicContact CG2-CG 3.4Å; I115-R238 VanDerWaalsContact CG2-CG 3.4Å; M116-R238 HydrophobicContact SD-CB 4.35Å; M116-R238 HydrophobicContact SD-CG 3.92Å; H119-R238 PolarHBondContact O-NE 2.99Å; H119-R238 PolarHBondContact O-NH2 2.8Å; H119-R238 VanDerWaalsContact O-NH2 3.11Å; E122-R238 PolarHBondContact O-NH1 2.93Å; E122-R238 PolarHBondContact O-NH2 3.43Å; A234-R238 WeakPolarHBondContact O-CD 3.4Å; A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 PolarHBondContact O-N 3.39Å; L236-R238 VanDerWaalsContact C-N 3.28Å; L236-R238 PolarHBondContact O-N 3.21Å |
| 239 | K | 87.6 | Confident | 91.3 | Very high | 112 Ų | 112 | 39.9 Ų | 39.9 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -111.5 | -30 | -171.1 | -68.7 | -174.4 | 175 | -172.4 | 0 | 113 | L236 L237 L272 I273 | L236-K239 PolarHBondContact O-N 3.04Å; L236-K239 VanDerWaalsContact O-N 3.09Å; L237-K239 PolarHBondContact O-N 3.4Å; K239-L272 HydrophobicContact CB-CD1 4.45Å; K239-L272 WeakPolarHBondContact O-CA 3.38Å; K239-L272 WeakPolarHBondContact O-CD1 3.34Å; K239-I273 PolarHBondContact O-N 3.36Å |
| 240 | Y | 91.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.1 | -169.6 | -57.4 | -83.5 | 0 | 0 | 0 | 111.2 | M76 F80 L236 L270 K271 L272 | M76-Y240 HydrophobicContact CE-CE2 3.77Å; F80-Y240 HydrophobicContact CZ-CD2 4.32Å; F80-Y240 HydrophobicContact CZ-CE2 4.09Å; L236-Y240 HydrophobicContact CD1-CD2 3.97Å; L236-Y240 PolarHBondContact O-N 3.47Å; Y240-L270 HydrophobicContact CD1-CB 4.16Å; Y240-L270 HydrophobicContact CG-CB 4.42Å; Y240-K271 CarbonylContact C-O 3.38Å; Y240-K271 VanDerWaalsContact CA-O 3.25Å; Y240-K271 WeakPolarHBondContact CA-O 3.4Å; Y240-L272 HydrophobicContact CD1-CB 4.38Å; Y240-L272 HydrophobicContact CD1-CD1 4.1Å; Y240-L272 HydrophobicContact CE1-CB 4.28Å; Y240-L272 HydrophobicContact CE1-CD1 3.6Å |
| 241 | R | 94.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 138.5 | 158.1 | -171.9 | 173.2 | -78.6 | 166.7 | -3.1 | 108.8 | E109 F243 L270 K271 I273 | E109-R241 IonicContact OE2-CZ 3.52Å; E109-R241 IonicContact OE2-NE 3.48Å; E109-R241 IonicContact OE2-NH2 2.63Å; E109-R241 PolarHBondContact OE2-NH2 3.13Å; R241-F243 HydrophobicContact CB-CE2 3.91Å; R241-F243 HydrophobicContact CB-CZ 4.26Å; R241-F243 HydrophobicContact CG-CE2 3.72Å; R241-F243 HydrophobicContact CG-CZ 3.7Å; R241-L270 CarbonylContact O-C 3.54Å; R241-L270 WeakPolarHBondContact O-CA 3.5Å; R241-K271 PolarHBondContact N-O 3.49Å; R241-K271 PolarHBondContact O-N 3.11Å; R241-I273 HydrophobicContact CB-CD1 4.04Å; R241-I273 HydrophobicContact CB-CG1 4.08Å |
| 242 | I | 94.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.1 | -172.5 | -41.3 | -178.8 | 0 | 0 | 0 | 109.4 | I98 A102 Q108 L236 L237 L268 S269 L270 | I98-I242 HydrophobicContact CG2-CD1 3.77Å; I98-I242 HydrophobicContact CG2-CG2 3.88Å; A102-I242 HydrophobicContact CB-CB 4.39Å; A102-I242 HydrophobicContact CB-CG2 3.84Å; Q108-I242 PolarHBondContact NE2-O 2.98Å; L236-I242 HydrophobicContact CD2-CD1 3.53Å; L236-I242 HydrophobicContact CD2-CG1 4.44Å; L236-I242 HydrophobicContact CG-CD1 4.12Å; L237-I242 HydrophobicContact CD2-CD1 3.62Å; L237-I242 HydrophobicContact CD2-CG1 3.97Å; I242-L268 HydrophobicContact CG2-CB 4.27Å; I242-L268 HydrophobicContact CG2-CD1 4.39Å; I242-S269 CarbonylContact C-O 3.43Å; I242-S269 WeakPolarHBondContact CA-O 3.36Å; I242-L270 HydrophobicContact CB-CD2 3.99Å; I242-L270 HydrophobicContact CD1-CD2 4.36Å; I242-L270 HydrophobicContact CG1-CD2 3.64Å; I242-L270 HydrophobicContact CG2-CD2 3.79Å |
| 243 | F | 94.4 | Very high | 91.4 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 39% | 0.386 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146 | -180 | -59.7 | -92.1 | 0 | 0 | 0 | 110.3 | R241 N245 S269 K271 | R241-F243 HydrophobicContact CB-CE2 3.91Å; R241-F243 HydrophobicContact CB-CZ 4.26Å; R241-F243 HydrophobicContact CG-CE2 3.72Å; R241-F243 HydrophobicContact CG-CZ 3.7Å; F243-N245 PolarHBondContact O-N 3.49Å; F243-S269 PolarHBondContact N-O 3.29Å; F243-S269 PolarHBondContact O-N 3.32Å; F243-K271 HydrophobicContact CD2-CB 4.36Å; F243-K271 HydrophobicContact CE2-CB 3.67Å; F243-K271 HydrophobicContact CE2-CD 4.44Å |
| 244 | I | 92.4 | Very high | 91.3 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.2 | 168 | -65.3 | -64.9 | 0 | 0 | 0 | 108.3 | Y99 A102 R103 V250 L268 | Y99-I244 HydrophobicContact CD2-CD1 3.57Å; Y99-I244 HydrophobicContact CE2-CD1 3.77Å; A102-I244 HydrophobicContact CB-CD1 3.64Å; A102-I244 HydrophobicContact CB-CG1 3.84Å; R103-I244 HydrophobicContact CG-CD1 3.85Å; R103-I244 HydrophobicContact CG-CG1 3.85Å; I244-V250 HydrophobicContact CG2-CG2 3.95Å; I244-L268 HydrophobicContact CD1-CD2 3.68Å |
| 245 | N | 91 | Very high | 91.1 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | trans | -85.8 | 148.5 | 171.1 | -174.2 | -102.9 | 0 | 0 | 0 | 109.9 | F243 Q247 T248 V267 S269 | F243-N245 PolarHBondContact O-N 3.49Å; N245-Q247 PolarHBondContact O-N 3.15Å; N245-Q247 VanDerWaalsContact O-N 3.11Å; N245-Q247 VanDerWaalsContact OD1-CB 3.22Å; N245-Q247 WeakPolarHBondContact OD1-CB 3.46Å; N245-Q247 WeakPolarHBondContact OD1-CG 3.43Å; N245-Q247 PolarHBondContact OD1-N 3.37Å; N245-Q247 PolarHBondContact OD1-OE1 3.45Å; N245-T248 WeakPolarHBondContact O-CB 3.31Å; N245-T248 PolarHBondContact O-N 3.01Å; N245-V267 HydrophobicContact CB-CB 4.17Å; N245-V267 HydrophobicContact CB-CG1 4.02Å; N245-V267 VanDerWaalsContact CB-O 3.23Å; N245-V267 WeakPolarHBondContact CB-O 3.28Å; N245-V267 PolarHBondContact N-O 3.26Å; N245-S269 PolarHBondContact ND2-OG 2.93Å; N245-S269 VanDerWaalsContact ND2-OG 3.15Å | ||
| 246 | D | 90.6 | Very high | 90.7 | Very high | 146 Ų | 146 | 66.6 Ų | 66.6 | 78% | 0.781 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.1 | 177.1 | 54 | -36.5 | 0 | 0 | 0 | 114 | T248 | D246-T248 VanDerWaalsContact C-N 3.31Š|
| 247 | Q | 88.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 68.8 Ų | 68.8 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9 | 174.6 | -58 | 179.6 | -76 | 0 | 0 | 113.8 | N245 V267 | N245-Q247 PolarHBondContact O-N 3.15Å; N245-Q247 VanDerWaalsContact O-N 3.11Å; N245-Q247 VanDerWaalsContact OD1-CB 3.22Å; N245-Q247 WeakPolarHBondContact OD1-CB 3.46Å; N245-Q247 WeakPolarHBondContact OD1-CG 3.43Å; N245-Q247 PolarHBondContact OD1-N 3.37Å; N245-Q247 PolarHBondContact OD1-OE1 3.45Å; Q247-V267 HydrophobicContact CB-CB 4.14Å; Q247-V267 HydrophobicContact CB-CG1 4.49Å; Q247-V267 HydrophobicContact CB-CG2 3.95Å |
| 248 | T | 90.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.086 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -95.7 | 131.1 | -178.7 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | Y99 N245 D246 L252 V266 V267 | Y99-T248 HydrophobicContact CD2-CG2 4.15Å; Y99-T248 HydrophobicContact CE2-CG2 3.9Å; N245-T248 WeakPolarHBondContact O-CB 3.31Å; N245-T248 PolarHBondContact O-N 3.01Å; D246-T248 VanDerWaalsContact C-N 3.31Å; T248-L252 HydrophobicContact CG2-CD2 4.05Å; T248-V266 HydrophobicContact CG2-CG1 3.92Å; T248-V267 WeakPolarHBondContact OG1-CA 3.41Å; T248-V267 PolarHBondContact OG1-N 2.83Å; T248-V267 PolarHBondContact OG1-O 3.27Å |
| 249 | E | 90.7 | Very high | 89.5 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 27% | 0.271 | 38% | 0.38 | S | S | . | . | trans | -68.3 | 136.7 | 173.1 | -68.5 | -174.6 | 123.7 | 0 | 0 | 111.5 | L252 K253 N264 | E249-L252 WeakPolarHBondContact O-CD2 3.46Å; E249-K253 IonicContact OE1-NZ 2.73Å; E249-K253 PolarHBondContact OE1-NZ 3.34Å; E249-N264 VanDerWaalsContact CD-ND2 3.31Å; E249-N264 PolarHBondContact OE2-ND2 2.99Å | ||
| 250 | V | 91.8 | Very high | 89.6 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -131.5 | 118 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | Y99 I244 | Y99-V250 HydrophobicContact CE2-CG2 4.34Å; I244-V250 HydrophobicContact CG2-CG2 3.95Å |
| 251 | P | 92.1 | Very high | 89.4 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | S | Bend | cis | -69.6 | 160.4 | -6.9 | 31.8 | -35.9 | 0 | 0 | 0 | 112.6 | K253 | P251-K253 PolarHBondContact O-N 3.04Š|
| 252 | L | 91.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 131.8 | 175.6 | -65.1 | 173.4 | 0 | 0 | 0 | 111.2 | Y96 Y99 T248 E249 L254 P262 V266 | Y96-L252 HydrophobicContact CD1-CD1 4Å; Y96-L252 HydrophobicContact CE1-CD1 3.95Å; Y99-L252 HydrophobicContact CD1-CD1 3.74Å; Y99-L252 HydrophobicContact CD1-CG 4.3Å; Y99-L252 HydrophobicContact CD2-CD1 4.11Å; Y99-L252 HydrophobicContact CD2-CD2 4.27Å; Y99-L252 HydrophobicContact CD2-CG 4.24Å; Y99-L252 HydrophobicContact CE1-CD1 3.73Å; Y99-L252 HydrophobicContact CE1-CG 3.82Å; Y99-L252 HydrophobicContact CE2-CD1 4.09Å; Y99-L252 HydrophobicContact CE2-CD2 3.86Å; Y99-L252 HydrophobicContact CE2-CG 3.74Å; Y99-L252 HydrophobicContact CG-CD1 3.92Å; Y99-L252 HydrophobicContact CG-CG 4.48Å; Y99-L252 PolarHBondContact OH-N 2.97Å; T248-L252 HydrophobicContact CG2-CD2 4.05Å; E249-L252 WeakPolarHBondContact O-CD2 3.46Å; L252-L254 HydrophobicContact CB-CD2 4.12Å; L252-P262 HydrophobicContact CD1-CB 4.41Å; L252-P262 HydrophobicContact CD1-CG 4.24Å; L252-P262 HydrophobicContact CD2-CB 4.31Å; L252-V266 HydrophobicContact CD1-CG2 4.18Å; L252-V266 HydrophobicContact CD2-CG2 4.06Å |
| 253 | K | 91.3 | Very high | 88.9 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 117.3 | 164.2 | -68.2 | 174.4 | -170.2 | 140.4 | 0 | 108.9 | E249 P251 R263 | E249-K253 IonicContact OE1-NZ 2.73Å; E249-K253 PolarHBondContact OE1-NZ 3.34Å; P251-K253 PolarHBondContact O-N 3.04Å; K253-R263 HydrophobicContact CB-CB 4.41Å; K253-R263 VanDerWaalsContact O-CB 3.24Å; K253-R263 WeakPolarHBondContact O-CB 3.38Å; K253-R263 PolarHBondContact O-N 3.36Å |
| 254 | L | 91 | Very high | 88.5 | Confident | 46 Ų | 46 | 72 Ų | 72 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 150 | 178.5 | -54.6 | -175.1 | 0 | 0 | 0 | 111.4 | Y96 Y146 W179 L252 T261 | Y96-L254 HydrophobicContact CE1-CD2 3.88Å; Y146-L254 HydrophobicContact CD1-CD1 4.21Å; Y146-L254 HydrophobicContact CE1-CD1 4.41Å; W179-L254 HydrophobicContact CH2-CD1 3.54Å; W179-L254 HydrophobicContact CZ2-CD1 4.15Å; W179-L254 HydrophobicContact CZ3-CD1 4.41Å; L252-L254 HydrophobicContact CB-CD2 4.12Å; L254-T261 CarbonylContact C-O 3.53Å; L254-T261 WeakPolarHBondContact CA-O 3.45Å |
| 255 | Q | 88.4 | Confident | 88.2 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.3 | 165.1 | 179.7 | 173.2 | -12.3 | 0 | 0 | 108.3 | N260 T261 | Q255-N260 WeakPolarHBondContact O-CA 3.39Å; Q255-T261 PolarHBondContact N-O 2.97Å; Q255-T261 PolarHBondContact O-N 3.18Å; Q255-T261 VanDerWaalsContact O-N 3.11Å |
| 256 | E | 79.6 | Confident | 87.9 | Confident | 136 Ų | 136 | 70 Ų | 70 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | trans | -88.4 | 142 | 179.3 | -60.8 | -162.6 | 143.4 | 0 | 0 | 111.5 | W179 | W179-E256 PolarHBondContact NE1-OE1 3.4Š| ||
| 257 | G | 80.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -160.1 | -147.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | T259 | G257-T259 PolarHBondContact N-O 3.46Å; G257-T259 PolarHBondContact O-N 2.95Å |
| 258 | M | 79.1 | Confident | 87.8 | Confident | 123 Ų | 123 | 58 Ų | 58 | 61% | 0.606 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -63.8 | -33.6 | 165.5 | -171.5 | 176.5 | -58.8 | 0 | 0 | 110.9 | F40 V152 | F40-M258 HydrophobicContact CE1-CE 4.32Å; F40-M258 HydrophobicContact CE1-SD 3.96Å; F40-M258 HydrophobicContact CZ-SD 3.75Å; V152-M258 HydrophobicContact CG2-CG 3.64Å; V152-M258 HydrophobicContact CG2-SD 4.44Å |
| 259 | T | 86.8 | Confident | 87.7 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -123.5 | 150 | 168.7 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | V148 G257 | V148-T259 HydrophobicContact CG1-CG2 4.3Å; V148-T259 CarbonylContact O-C 3.57Å; V148-T259 WeakPolarHBondContact O-CA 3.34Å; V148-T259 WeakPolarHBondContact O-CB 3.17Å; G257-T259 PolarHBondContact N-O 3.46Å; G257-T259 PolarHBondContact O-N 2.95Å |
| 260 | N | 88.9 | Confident | 87.7 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | trans | -93 | 124.9 | 177 | -53.9 | -44.4 | 0 | 0 | 0 | 110.1 | Y96 P147 V148 S150 W179 Q255 | Y96-N260 PolarHBondContact OH-O 2.95Å; P147-N260 PolarHBondContact O-ND2 2.77Å; V148-N260 PolarHBondContact O-N 3.22Å; S150-N260 PolarHBondContact OG-ND2 3.14Å; W179-N260 HydrophobicContact CZ2-CB 4.09Å; W179-N260 VanDerWaalsContact CZ2-ND2 3.31Å; W179-N260 WeakPolarHBondContact CZ2-ND2 3.39Å; Q255-N260 WeakPolarHBondContact O-CA 3.39Å | ||
| 261 | T | 88.5 | Confident | 87.5 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.4 | -177.2 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | N91 Y96 L254 Q255 R263 | N91-T261 HydrophobicContact CB-CG2 4.16Å; N91-T261 WeakPolarHBondContact ND2-CG2 3.37Å; N91-T261 WeakPolarHBondContact OD1-CG2 3.43Å; Y96-T261 VanDerWaalsContact OH-CA 3.31Å; Y96-T261 WeakPolarHBondContact OH-CA 3.45Å; L254-T261 CarbonylContact C-O 3.53Å; L254-T261 WeakPolarHBondContact CA-O 3.45Å; Q255-T261 PolarHBondContact N-O 2.97Å; Q255-T261 PolarHBondContact O-N 3.18Å; Q255-T261 VanDerWaalsContact O-N 3.11Å; T261-R263 PolarHBondContact O-N 3.46Å |
| 262 | P | 89.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 127.9 | 167.4 | -17 | 32.3 | 0 | 0 | 0 | 109.3 | Y96 L252 N264 G265 V266 | Y96-P262 HydrophobicContact CE1-CG 3.8Å; Y96-P262 WeakPolarHBondContact OH-CD 3.05Å; L252-P262 HydrophobicContact CD1-CB 4.41Å; L252-P262 HydrophobicContact CD1-CG 4.24Å; L252-P262 HydrophobicContact CD2-CB 4.31Å; P262-N264 PolarHBondContact O-N 2.72Å; P262-G265 PolarHBondContact O-N 3.01Å; P262-V266 HydrophobicContact CB-CG2 4.03Å; P262-V266 HydrophobicContact CG-CG2 3.7Å |
| 263 | R | 87.7 | Confident | 87.1 | Confident | 143 Ų | 143 | 63.4 Ų | 63.4 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.7 | -174.7 | -177.5 | 179.9 | -64.1 | -177.6 | 1.6 | 112.8 | K253 T261 | K253-R263 HydrophobicContact CB-CB 4.41Å; K253-R263 VanDerWaalsContact O-CB 3.24Å; K253-R263 WeakPolarHBondContact O-CB 3.38Å; K253-R263 PolarHBondContact O-N 3.36Å; T261-R263 PolarHBondContact O-N 3.46Å |
| 264 | N | 87.3 | Confident | 86.9 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 16.7 | -174.8 | -61.5 | -44.9 | 0 | 0 | 0 | 112.6 | E249 P262 | E249-N264 VanDerWaalsContact CD-ND2 3.31Å; E249-N264 PolarHBondContact OE2-ND2 2.99Å; P262-N264 PolarHBondContact O-N 2.72Å |
| 265 | G | 85.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | trans | 69.4 | -173.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | P262 | P262-G265 PolarHBondContact O-N 3.01Š| ||
| 266 | V | 86 | Confident | 86.6 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.4 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 109.2 | F88 M89 Y99 T248 L252 P262 L268 | F88-V266 WeakPolarHBondContact CA-O 3.37Å; M89-V266 PolarHBondContact N-O 3.28Å; M89-V266 PolarHBondContact O-N 3.24Å; Y99-V266 HydrophobicContact CD2-CG1 3.98Å; T248-V266 HydrophobicContact CG2-CG1 3.92Å; L252-V266 HydrophobicContact CD1-CG2 4.18Å; L252-V266 HydrophobicContact CD2-CG2 4.06Å; P262-V266 HydrophobicContact CB-CG2 4.03Å; P262-V266 HydrophobicContact CG-CG2 3.7Å; V266-L268 HydrophobicContact CG1-CD1 4.07Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; V266-L268 HydrophobicContact CG1-CG 3.8Å |
| 267 | V | 87.6 | Confident | 87 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.3 | 172.4 | -165.3 | 0 | 0 | 0 | 0 | 109.4 | M87 F88 N245 Q247 T248 | M87-V267 WeakPolarHBondContact O-CA 3.4Å; F88-V267 HydrophobicContact CD1-CG1 4.49Å; F88-V267 HydrophobicContact CD1-CG2 3.68Å; F88-V267 HydrophobicContact CE1-CB 4.21Å; F88-V267 HydrophobicContact CE1-CG1 4.02Å; F88-V267 HydrophobicContact CE1-CG2 3.23Å; F88-V267 HydrophobicContact CE2-CG1 4.03Å; F88-V267 HydrophobicContact CZ-CB 4.43Å; F88-V267 HydrophobicContact CZ-CG1 3.75Å; F88-V267 HydrophobicContact CZ-CG2 3.82Å; N245-V267 HydrophobicContact CB-CB 4.17Å; N245-V267 HydrophobicContact CB-CG1 4.02Å; N245-V267 VanDerWaalsContact CB-O 3.23Å; N245-V267 WeakPolarHBondContact CB-O 3.28Å; N245-V267 PolarHBondContact N-O 3.26Å; Q247-V267 HydrophobicContact CB-CB 4.14Å; Q247-V267 HydrophobicContact CB-CG1 4.49Å; Q247-V267 HydrophobicContact CB-CG2 3.95Å; T248-V267 WeakPolarHBondContact OG1-CA 3.41Å; T248-V267 PolarHBondContact OG1-N 2.83Å; T248-V267 PolarHBondContact OG1-O 3.27Å |
| 268 | L | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.1 | -178.3 | -60.9 | 170.6 | 0 | 0 | 0 | 110.3 | K86 M87 I98 A102 I242 I244 V266 | K86-L268 CarbonylContact C-O 3.44Å; K86-L268 VanDerWaalsContact CA-O 3.28Å; K86-L268 WeakPolarHBondContact CA-O 3.47Å; M87-L268 HydrophobicContact CE-CD1 4.11Å; M87-L268 PolarHBondContact N-O 3.27Å; M87-L268 PolarHBondContact O-N 2.99Å; I98-L268 HydrophobicContact CB-CD1 4.01Å; I98-L268 HydrophobicContact CG2-CD1 3.22Å; A102-L268 HydrophobicContact CB-CD2 3.95Å; I242-L268 HydrophobicContact CG2-CB 4.27Å; I242-L268 HydrophobicContact CG2-CD1 4.39Å; I244-L268 HydrophobicContact CD1-CD2 3.68Å; V266-L268 HydrophobicContact CG1-CD1 4.07Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; V266-L268 HydrophobicContact CG1-CG 3.8Å |
| 269 | S | 89.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.5 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | Q85 I242 F243 N245 | Q85-S269 CarbonylContact O-C 3.51Å; Q85-S269 VanDerWaalsContact O-CA 3.29Å; Q85-S269 WeakPolarHBondContact O-CA 3.48Å; I242-S269 CarbonylContact C-O 3.43Å; I242-S269 WeakPolarHBondContact CA-O 3.36Å; F243-S269 PolarHBondContact N-O 3.29Å; F243-S269 PolarHBondContact O-N 3.32Å; N245-S269 PolarHBondContact ND2-OG 2.93Å; N245-S269 VanDerWaalsContact ND2-OG 3.15Å |
| 270 | L | 89.4 | Confident | 88 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.6 | -173.9 | -65.4 | 172 | 0 | 0 | 0 | 110.9 | F80 Q85 M87 L236 Y240 R241 I242 | F80-L270 HydrophobicContact CD1-CD1 4.14Å; F80-L270 HydrophobicContact CE1-CD1 3.14Å; F80-L270 HydrophobicContact CE1-CG 4.45Å; F80-L270 HydrophobicContact CE2-CD1 4.4Å; F80-L270 HydrophobicContact CZ-CD1 3.32Å; Q85-L270 WeakPolarHBondContact CB-O 3.41Å; Q85-L270 WeakPolarHBondContact CG-O 3.46Å; Q85-L270 PolarHBondContact O-N 3.15Å; Q85-L270 PolarHBondContact OE1-O 3.25Å; M87-L270 HydrophobicContact CB-CD1 4.07Å; M87-L270 HydrophobicContact CE-CD1 4.43Å; M87-L270 HydrophobicContact SD-CD1 4.24Å; L236-L270 HydrophobicContact CD1-CD1 4.23Å; L236-L270 HydrophobicContact CD1-CD2 4.28Å; Y240-L270 HydrophobicContact CD1-CB 4.16Å; Y240-L270 HydrophobicContact CG-CB 4.42Å; R241-L270 CarbonylContact O-C 3.54Å; R241-L270 WeakPolarHBondContact O-CA 3.5Å; I242-L270 HydrophobicContact CB-CD2 3.99Å; I242-L270 HydrophobicContact CD1-CD2 4.36Å; I242-L270 HydrophobicContact CG1-CD2 3.64Å; I242-L270 HydrophobicContact CG2-CD2 3.79Å |
| 271 | K | 89.3 | Confident | 88 | Confident | 133 Ų | 133 | 54.2 Ų | 54.2 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.1 | 175.6 | -170.6 | 177.4 | 177 | 177.8 | 0 | 109.9 | Y240 R241 F243 | Y240-K271 CarbonylContact C-O 3.38Å; Y240-K271 VanDerWaalsContact CA-O 3.25Å; Y240-K271 WeakPolarHBondContact CA-O 3.4Å; R241-K271 PolarHBondContact N-O 3.49Å; R241-K271 PolarHBondContact O-N 3.11Å; F243-K271 HydrophobicContact CD2-CB 4.36Å; F243-K271 HydrophobicContact CE2-CB 3.67Å; F243-K271 HydrophobicContact CE2-CD 4.44Å |
| 272 | L | 88.3 | Confident | 87.9 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 53% | 0.534 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.6 | 171.2 | -166.5 | 76.6 | 0 | 0 | 0 | 109.7 | K239 Y240 | K239-L272 HydrophobicContact CB-CD1 4.45Å; K239-L272 WeakPolarHBondContact O-CA 3.38Å; K239-L272 WeakPolarHBondContact O-CD1 3.34Å; Y240-L272 HydrophobicContact CD1-CB 4.38Å; Y240-L272 HydrophobicContact CD1-CD1 4.1Å; Y240-L272 HydrophobicContact CE1-CB 4.28Å; Y240-L272 HydrophobicContact CE1-CD1 3.6Å |
| 273 | I | 86.6 | Confident | 87.8 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | trans | -94.6 | 0 | 176.2 | -55.1 | 174.8 | 0 | 0 | 0 | 109.7 | K239 R241 | K239-I273 PolarHBondContact O-N 3.36Å; R241-I273 HydrophobicContact CB-CD1 4.04Å; R241-I273 HydrophobicContact CB-CG1 4.08Å |
Retrieved 273 of 273 residues in 648.3 ms
(Link to these results)