| 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 | 41.7 | Very low | 77 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | 0 | 121.6 | 0 | -61.7 | 177.3 | -155.6 | 0 | 0 | 106.3 | N3 F412 T421 | M1-N3 PolarHBondContact O-N 3.48Å; M1-N3 VanDerWaalsContact O-N 3.14Å; M1-F412 HydrophobicContact CE-CE1 4.19Å; M1-T421 HydrophobicContact CG-CG2 4.49Å; M1-T421 HydrophobicContact SD-CG2 3.96Å | |||
| 2 | A | 41.8 | Very low | 78.1 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 76% | 0.76 | 31% | 0.311 | S | S | * | . | trans | -74.8 | 99.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106 | T4 | A2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | N | 52.7 | Low | 79.2 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -59.2 | 111.2 | 169.3 | -82.2 | -10.5 | 0 | 0 | 0 | 106.4 | M1 R5 T151 | M1-N3 PolarHBondContact O-N 3.48Å; M1-N3 VanDerWaalsContact O-N 3.14Å; N3-R5 PolarHBondContact O-N 2.71Å; N3-T151 WeakPolarHBondContact ND2-CG2 3.45Å | ||
| 4 | T | 63.3 | Low | 79.9 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | trans | -59.2 | 124.7 | 166.6 | 16.9 | 0 | 0 | 0 | 0 | 106.7 | A2 D6 N418 | A2-T4 PolarHBondContact O-N 3.29Å; T4-D6 PolarHBondContact O-N 3.24Å; T4-N418 PolarHBondContact OG1-ND2 3.47Å | ||
| 5 | R | 81.9 | Confident | 80.7 | Confident | 146 Ų | 146 | 54.6 Ų | 54.6 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | trans | -58.3 | 127.2 | 177.3 | 179 | 179.3 | 177.1 | 177.1 | 2.5 | 108.9 | N3 H7 | N3-R5 PolarHBondContact O-N 2.71Å; R5-H7 PolarHBondContact O-N 3.22Å | ||
| 6 | D | 92.3 | Very high | 81.5 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | trans | -66.6 | 115.2 | 170.9 | -179.1 | 3.9 | 0 | 0 | 0 | 109.6 | T4 S8 S9 T149 P150 | T4-D6 PolarHBondContact O-N 3.24Å; D6-S8 PolarHBondContact O-N 2.87Å; D6-S8 PolarHBondContact OD1-N 2.92Å; D6-S9 PolarHBondContact O-N 2.86Å; D6-T149 VanDerWaalsContact CB-OG1 3.28Å; D6-T149 WeakPolarHBondContact CB-OG1 3.48Å; D6-T149 WeakPolarHBondContact OD2-CB 3.44Å; D6-T149 PolarHBondContact OD2-OG1 3.05Å; D6-P150 WeakPolarHBondContact OD2-CD 3.38Å | ||
| 7 | H | 92.2 | Very high | 82.3 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 39% | 0.389 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.5 | -178.1 | -66.5 | 143.9 | 0 | 0 | 0 | 113.4 | R5 F85 E311 | R5-H7 PolarHBondContact O-N 3.22Å; H7-F85 WeakPolarHBondContact O-CE2 3.47Å; H7-E311 IonicContact ND1-OE1 2.73Å; H7-E311 PolarHBondContact ND1-OE1 3.29Å |
| 8 | S | 94.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.5 | -179.6 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | D6 R141 P373 | D6-S8 PolarHBondContact O-N 2.87Å; D6-S8 PolarHBondContact OD1-N 2.92Å; S8-R141 VanDerWaalsContact O-CZ 3.28Å; S8-R141 PolarHBondContact O-NH1 3.44Å; S8-R141 PolarHBondContact O-NH2 3.16Å; S8-P373 VanDerWaalsContact OG-CG 3.31Å; S8-P373 WeakPolarHBondContact OG-CG 3Å |
| 9 | S | 95.9 | Very high | 83.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | trans | -123.4 | 140 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 112 | D6 S11 D57 | D6-S9 PolarHBondContact O-N 2.86Å; S9-S11 WeakPolarHBondContact OG-CB 3.34Å; S9-S11 PolarHBondContact OG-N 2.81Å; S9-S11 VanDerWaalsContact OG-N 3.09Å; S9-S11 PolarHBondContact OG-OG 3.34Å; S9-D57 PolarHBondContact OG-OD1 3.18Å; S9-D57 PolarHBondContact OG-OD2 3.17Å | ||
| 10 | Y | 95.7 | Very high | 84.7 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -80.1 | -22.2 | 170.1 | -61.7 | -66.4 | 0 | 0 | 0 | 112.3 | D57 T81 F85 G86 C88 | Y10-D57 WeakPolarHBondContact CB-OD1 3.41Å; Y10-D57 WeakPolarHBondContact CD2-OD1 3.38Å; Y10-D57 PolarHBondContact N-OD1 2.98Å; Y10-T81 PolarHBondContact OH-OG1 3.5Å; Y10-T81 VanDerWaalsContact OH-OG1 3.09Å; Y10-F85 HydrophobicContact CE2-CB 3.98Å; Y10-G86 WeakPolarHBondContact CE2-O 3.41Å; Y10-G86 PolarHBondContact OH-O 3.29Å; Y10-C88 HydrophobicContact CD1-CB 4.06Å; Y10-C88 HydrophobicContact CD2-CB 3.78Å; Y10-C88 HydrophobicContact CE2-CB 4.33Å; Y10-C88 HydrophobicContact CG-CB 3.61Å |
| 11 | S | 94.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | trans | -69.3 | 158.7 | 177.3 | 79.1 | 0 | 0 | 0 | 0 | 111.7 | S9 L55 Q147 | S9-S11 WeakPolarHBondContact OG-CB 3.34Å; S9-S11 PolarHBondContact OG-N 2.81Å; S9-S11 VanDerWaalsContact OG-N 3.09Å; S9-S11 PolarHBondContact OG-OG 3.34Å; S11-L55 WeakPolarHBondContact CB-O 3.37Å; S11-Q147 WeakPolarHBondContact OG-CB 3.49Å | ||
| 12 | D | 90.9 | Very high | 88.1 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -131.8 | 92.8 | 175.9 | -168.4 | -17.4 | 0 | 0 | 0 | 110.6 | S14 I15 Y16 | D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.01Å; D12-S14 VanDerWaalsContact OD1-CB 3.24Å; D12-S14 WeakPolarHBondContact OD1-CB 3.48Å; D12-S14 PolarHBondContact OD1-N 3.34Å; D12-S14 PolarHBondContact OD1-OG 3.36Å; D12-S14 PolarHBondContact OD2-OG 3.17Å; D12-I15 HydrophobicContact CB-CB 4.47Å; D12-I15 HydrophobicContact CB-CD1 3.98Å; D12-I15 HydrophobicContact CB-CG1 4.04Å; D12-I15 PolarHBondContact O-N 2.99Å; D12-Y16 PolarHBondContact O-N 3.23Å | ||
| 13 | P | 92.3 | Very high | 90.8 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -12.5 | 175.2 | -26.9 | 36.2 | 0 | 0 | 0 | 115.2 | I15 Y16 T149 T151 | P13-I15 VanDerWaalsContact C-N 3.29Å; P13-Y16 VanDerWaalsContact CA-O 3.3Å; P13-Y16 WeakPolarHBondContact CA-O 3.29Å; P13-T149 HydrophobicContact CG-CG2 3.62Å; P13-T151 HydrophobicContact CB-CG2 4.05Å; P13-T151 HydrophobicContact CG-CG2 4.36Å |
| 14 | S | 89.3 | Confident | 93 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | 173 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | D12 V45 | D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.01Å; D12-S14 VanDerWaalsContact OD1-CB 3.24Å; D12-S14 WeakPolarHBondContact OD1-CB 3.48Å; D12-S14 PolarHBondContact OD1-N 3.34Å; D12-S14 PolarHBondContact OD1-OG 3.36Å; D12-S14 PolarHBondContact OD2-OG 3.17Å; S14-V45 WeakPolarHBondContact O-CB 3.33Å |
| 15 | I | 91.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -51.6 | 176.6 | -55.5 | -178.9 | 0 | 0 | 0 | 110.3 | D12 P13 V45 N49 | D12-I15 HydrophobicContact CB-CB 4.47Å; D12-I15 HydrophobicContact CB-CD1 3.98Å; D12-I15 HydrophobicContact CB-CG1 4.04Å; D12-I15 PolarHBondContact O-N 2.99Å; P13-I15 VanDerWaalsContact C-N 3.29Å; I15-V45 PolarHBondContact O-N 2.99Å; I15-N49 WeakPolarHBondContact CG1-ND2 3.31Å; I15-N49 WeakPolarHBondContact CG2-ND2 3.48Å |
| 16 | Y | 93.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.9 | -179.4 | -65.4 | -71.5 | 0 | 0 | 0 | 110.5 | D12 P13 E43 K44 N51 P52 N53 I54 Y100 Q147 | D12-Y16 PolarHBondContact O-N 3.23Å; P13-Y16 VanDerWaalsContact CA-O 3.3Å; P13-Y16 WeakPolarHBondContact CA-O 3.29Å; Y16-E43 CarbonylContact C-O 3.47Å; Y16-E43 WeakPolarHBondContact CA-O 3.39Å; Y16-K44 HydrophobicContact CD1-CB 4.11Å; Y16-K44 HydrophobicContact CD1-CG 4.27Å; Y16-K44 HydrophobicContact CE1-CB 3.92Å; Y16-K44 HydrophobicContact CE1-CD 4.35Å; Y16-K44 HydrophobicContact CE1-CG 3.85Å; Y16-N51 PolarHBondContact OH-O 3.43Å; Y16-P52 PolarHBondContact OH-O 3.33Å; Y16-N53 WeakPolarHBondContact CE2-O 3.44Å; Y16-I54 HydrophobicContact CD2-CG1 4.2Å; Y16-I54 HydrophobicContact CE2-CG1 3.96Å; Y16-Y100 HydrophobicContact CE1-CD2 4.02Å; Y16-Y100 AromaticContact CE1-CE2 3.78Å; Y16-Y100 HydrophobicContact CE1-CE2 3.78Å; Y16-Q147 PolarHBondContact O-NE2 2.77Å; Y16-Q147 PolarHBondContact O-OE1 3.42Å |
| 17 | T | 94.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 34 Ų | 34 | 31% | 0.307 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.3 | 170.9 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | L42 E43 V45 | T17-L42 CarbonylContact O-C 3.55Å; T17-L42 VanDerWaalsContact O-CA 3.29Å; T17-L42 WeakPolarHBondContact O-CA 3.37Å; T17-E43 PolarHBondContact N-O 3.41Å; T17-E43 PolarHBondContact O-N 3Å; T17-E43 PolarHBondContact OG1-O 2.89Å; T17-V45 HydrophobicContact CG2-CG2 3.52Å |
| 18 | T | 97.7 | Very high | 96 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.1 | 170.4 | -59.7 | 0 | 0 | 0 | 0 | 110 | L21 I40 L42 Q147 F154 | T18-L21 HydrophobicContact CG2-CD2 3.69Å; T18-L21 HydrophobicContact CG2-CG 4.22Å; T18-I40 HydrophobicContact CG2-CG2 3.85Å; T18-L42 WeakPolarHBondContact OG1-CD2 3.39Å; T18-Q147 PolarHBondContact OG1-OE1 3.11Å; T18-F154 HydrophobicContact CG2-CB 3.79Å; T18-F154 HydrophobicContact CG2-CD1 3.67Å; T18-F154 HydrophobicContact CG2-CE1 4.48Å; T18-F154 HydrophobicContact CG2-CG 3.8Å |
| 19 | D | 97.7 | Very high | 96.2 | Very high | 63 Ų | 63 | 34.3 Ų | 34.3 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -36.8 | -179.8 | -71 | -11.2 | 0 | 0 | 0 | 112.4 | F41 P155 | D19-F41 HydrophobicContact CB-CB 4.4Å; D19-F41 PolarHBondContact N-O 3.1Å; D19-P155 WeakPolarHBondContact O-CD 3.49Å |
| 20 | K | 98.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 160.1 | 176.4 | 60 | 163.2 | 180 | 156.3 | 0 | 111.3 | E22 F41 P155 | K20-E22 IonicContact NZ-OE1 2.67Å; K20-E22 PolarHBondContact NZ-OE1 2.69Å; K20-F41 HydrophobicContact CD-CD2 3.88Å; K20-F41 HydrophobicContact CD-CE2 4.09Å; K20-F41 HydrophobicContact CD-CG 4.2Å; K20-F41 VanDerWaalsContact CE-CG 3.47Å; K20-F41 VanDerWaalsContact CE-CZ 3.49Å; K20-F41 HydrophobicContact CG-CB 3.77Å; K20-F41 HydrophobicContact CG-CD2 3.48Å; K20-F41 VanDerWaalsContact CG-CD2 3.48Å; K20-F41 HydrophobicContact CG-CE2 4.19Å; K20-F41 HydrophobicContact CG-CG 3.71Å; K20-F41 PolarHBondContact O-N 2.91Å; K20-F41 VanDerWaalsContact O-N 3.12Å; K20-P155 WeakPolarHBondContact CA-O 3.47Å; K20-P155 HydrophobicContact CB-CG 4.01Å |
| 21 | L | 98.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.4 | 166.8 | -60.7 | -172.1 | 0 | 0 | 0 | 112.1 | T18 I23 V38 N39 I40 L144 F154 P155 F156 E157 I201 | T18-L21 HydrophobicContact CG2-CD2 3.69Å; T18-L21 HydrophobicContact CG2-CG 4.22Å; L21-I23 HydrophobicContact CB-CG1 4.42Å; L21-V38 HydrophobicContact CD1-CG2 4.49Å; L21-V38 HydrophobicContact CD2-CG2 4.19Å; L21-N39 WeakPolarHBondContact CA-O 3.35Å; L21-I40 HydrophobicContact CD2-CB 3.93Å; L21-I40 HydrophobicContact CD2-CG1 3.75Å; L21-I40 HydrophobicContact CD2-CG2 3.71Å; L21-L144 HydrophobicContact CD1-CD1 3.85Å; L21-F154 HydrophobicContact CB-CD2 4.38Å; L21-F154 HydrophobicContact CD1-CD2 3.73Å; L21-F154 HydrophobicContact CD1-CE1 4.38Å; L21-F154 HydrophobicContact CD1-CE2 3.24Å; L21-F154 HydrophobicContact CD1-CG 4.49Å; L21-F154 HydrophobicContact CD1-CZ 3.6Å; L21-F154 HydrophobicContact CG-CD2 3.62Å; L21-F154 HydrophobicContact CG-CE2 3.71Å; L21-F154 HydrophobicContact CG-CG 4.14Å; L21-F154 HydrophobicContact CG-CZ 4.27Å; L21-P155 PolarHBondContact N-O 3.11Å; L21-F156 HydrophobicContact CB-CB 3.87Å; L21-F156 VanDerWaalsContact O-CA 3.25Å; L21-F156 WeakPolarHBondContact O-CA 3.34Å; L21-E157 PolarHBondContact O-N 3.02Å; L21-I201 HydrophobicContact CD1-CD1 4.39Å |
| 22 | E | 98.8 | Very high | 96.4 | Very high | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.2 | 162.2 | -65.7 | 170.1 | -174.4 | 0 | 0 | 108.8 | K20 V38 N39 F41 E157 | K20-E22 IonicContact NZ-OE1 2.67Å; K20-E22 PolarHBondContact NZ-OE1 2.69Å; E22-V38 CarbonylContact O-C 3.6Å; E22-V38 WeakPolarHBondContact O-CA 3.21Å; E22-N39 HydrophobicContact CB-CB 4.2Å; E22-N39 PolarHBondContact N-O 3.41Å; E22-N39 PolarHBondContact O-N 3.35Å; E22-F41 HydrophobicContact CB-CE2 4.42Å; E22-F41 HydrophobicContact CG-CE2 3.87Å; E22-E157 WeakPolarHBondContact CA-O 3.3Å |
| 23 | I | 98.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.3 | -172.4 | -62.9 | 172.1 | 0 | 0 | 0 | 108.9 | L21 W25 V38 L144 F156 E157 A158 K159 | L21-I23 HydrophobicContact CB-CG1 4.42Å; I23-W25 HydrophobicContact CD1-CH2 4.23Å; I23-W25 HydrophobicContact CD1-CZ2 4.19Å; I23-W25 HydrophobicContact CG2-CB 4.48Å; I23-W25 HydrophobicContact CG2-CD2 3.28Å; I23-W25 HydrophobicContact CG2-CE3 3.85Å; I23-W25 HydrophobicContact CG2-CG 3.57Å; I23-W25 HydrophobicContact CG2-CH2 4.13Å; I23-W25 HydrophobicContact CG2-CZ2 3.62Å; I23-W25 HydrophobicContact CG2-CZ3 4.24Å; I23-V38 HydrophobicContact CG1-CG2 4.27Å; I23-L144 HydrophobicContact CD1-CD1 4.17Å; I23-F156 HydrophobicContact CD1-CD2 4.15Å; I23-F156 HydrophobicContact CD1-CG 4.5Å; I23-E157 PolarHBondContact N-O 3.24Å; I23-A158 HydrophobicContact CB-CB 4.03Å; I23-A158 HydrophobicContact CG2-CB 4.39Å; I23-A158 CarbonylContact O-C 3.54Å; I23-A158 WeakPolarHBondContact O-CA 3.45Å; I23-K159 PolarHBondContact O-N 3.3Å |
| 24 | D | 98.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.8 | 167.2 | -165.5 | -18.2 | 0 | 0 | 0 | 108.7 | G36 S37 K159 | D24-G36 CarbonylContact O-C 3.39Å; D24-G36 VanDerWaalsContact O-CA 3.28Å; D24-G36 WeakPolarHBondContact O-CA 3.44Å; D24-S37 PolarHBondContact N-O 3.4Å; D24-S37 PolarHBondContact O-N 3.27Å; D24-K159 WeakPolarHBondContact CA-O 3.32Å; D24-K159 IonicContact OD1-NZ 2.68Å; D24-K159 PolarHBondContact OD1-NZ 2.94Å; D24-K159 IonicContact OD2-NZ 3.45Å; D24-K159 PolarHBondContact OD2-NZ 2.98Å |
| 25 | W | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.1 | -173.9 | -77.1 | -15.4 | 0 | 0 | 0 | 112.1 | I23 I34 S35 Y106 L143 L144 K159 V160 T161 M170 I201 I203 | I23-W25 HydrophobicContact CD1-CH2 4.23Å; I23-W25 HydrophobicContact CD1-CZ2 4.19Å; I23-W25 HydrophobicContact CG2-CB 4.48Å; I23-W25 HydrophobicContact CG2-CD2 3.28Å; I23-W25 HydrophobicContact CG2-CE3 3.85Å; I23-W25 HydrophobicContact CG2-CG 3.57Å; I23-W25 HydrophobicContact CG2-CH2 4.13Å; I23-W25 HydrophobicContact CG2-CZ2 3.62Å; I23-W25 HydrophobicContact CG2-CZ3 4.24Å; W25-I34 HydrophobicContact CB-CG2 3.6Å; W25-I34 HydrophobicContact CD2-CG2 3.88Å; W25-I34 HydrophobicContact CG-CG2 3.44Å; W25-I34 VanDerWaalsContact CG-CG2 3.44Å; W25-S35 CarbonylContact C-O 3.57Å; W25-Y106 AromaticContact NE1-CZ 3.81Å; W25-Y106 PolarHBondContact NE1-OH 3.23Å; W25-L143 HydrophobicContact CH2-CD1 3.96Å; W25-L143 HydrophobicContact CH2-CD2 3.66Å; W25-L143 HydrophobicContact CH2-CG 3.71Å; W25-L143 HydrophobicContact CZ2-CD1 4.1Å; W25-L143 HydrophobicContact CZ2-CD2 4.3Å; W25-L143 HydrophobicContact CZ2-CG 3.86Å; W25-L143 HydrophobicContact CZ3-CD1 4.43Å; W25-L143 HydrophobicContact CZ3-CD2 4.39Å; W25-L144 HydrophobicContact CZ2-CB 4.32Å; W25-L144 HydrophobicContact CZ2-CD1 4.42Å; W25-K159 PolarHBondContact N-O 3.45Å; W25-V160 HydrophobicContact CB-CG1 4.38Å; W25-V160 HydrophobicContact CB-CG2 4.42Å; W25-V160 HydrophobicContact CE3-CG2 4.33Å; W25-V160 CarbonylContact O-C 3.57Å; W25-V160 WeakPolarHBondContact O-CA 3.4Å; W25-T161 PolarHBondContact O-N 3.39Å; W25-M170 HydrophobicContact CE3-CE 4.5Å; W25-M170 HydrophobicContact CZ3-CE 3.89Å; W25-I201 HydrophobicContact CH2-CG2 4.14Å; W25-I203 HydrophobicContact CE3-CD1 3.84Å; W25-I203 HydrophobicContact CZ3-CB 4.48Å; W25-I203 HydrophobicContact CZ3-CD1 4Å; W25-I203 HydrophobicContact CZ3-CG2 4.24Å |
| 26 | K | 98.7 | Very high | 97.8 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117 | 167.7 | -176.3 | 174.4 | -176.3 | 172.8 | 0 | 109.7 | I34 S35 T161 | K26-I34 WeakPolarHBondContact O-CA 3.29Å; K26-S35 PolarHBondContact N-O 2.73Å; K26-S35 PolarHBondContact O-N 3.04Å; K26-T161 WeakPolarHBondContact CA-O 3.49Å; K26-T161 HydrophobicContact CG-CG2 4.42Å |
| 27 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.3 | 177.6 | -62.6 | 170.7 | 0 | 0 | 0 | 109.1 | F29 I34 W117 M131 V160 T161 A162 V168 I203 C205 | I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.95Å; I27-F29 HydrophobicContact CG2-CZ 4.47Å; I27-I34 HydrophobicContact CG1-CD1 4.24Å; I27-I34 HydrophobicContact CG1-CG1 4.15Å; I27-W117 HydrophobicContact CG2-CH2 3.8Å; I27-W117 HydrophobicContact CG2-CZ3 3.9Å; I27-M131 HydrophobicContact CD1-CE 3.48Å; I27-M131 VanDerWaalsContact CD1-CE 3.48Å; I27-M131 HydrophobicContact CG1-CE 3.86Å; I27-M131 HydrophobicContact CG2-CE 3.99Å; I27-V160 HydrophobicContact CD1-CG1 3.66Å; I27-V160 HydrophobicContact CG1-CG1 4.03Å; I27-T161 PolarHBondContact N-O 2.87Å; I27-A162 HydrophobicContact CB-CB 4.38Å; I27-A162 HydrophobicContact CD1-CB 4.27Å; I27-V168 HydrophobicContact CD1-CG2 4.26Å; I27-I203 HydrophobicContact CD1-CD1 4.05Å; I27-C205 HydrophobicContact CD1-CB 3.77Å |
| 28 | N | 98 | Very high | 98.3 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 103.4 | 175 | -173.3 | -17.7 | 0 | 0 | 0 | 111.1 | S30 T31 Q32 T33 | N28-S30 VanDerWaalsContact C-N 3.3Å; N28-S30 PolarHBondContact O-N 2.97Å; N28-S30 WeakPolarHBondContact OD1-CB 3.41Å; N28-S30 PolarHBondContact OD1-N 3.4Å; N28-T31 VanDerWaalsContact CB-OG1 3.31Å; N28-T31 WeakPolarHBondContact CB-OG1 2.97Å; N28-T31 PolarHBondContact ND2-OG1 3.1Å; N28-T31 PolarHBondContact O-N 3.28Å; N28-T31 PolarHBondContact OD1-N 3.47Å; N28-Q32 WeakPolarHBondContact O-CA 3.43Å; N28-Q32 PolarHBondContact O-N 3.13Å; N28-T33 PolarHBondContact N-O 3.18Å; N28-T33 PolarHBondContact O-N 3.05Å |
| 29 | F | 97.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 40 Ų | 40 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.4 | 178 | -77.2 | -83.1 | 0 | 0 | 0 | 113.9 | I27 W117 P129 M131 P163 T166 C205 | I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.95Å; I27-F29 HydrophobicContact CG2-CZ 4.47Å; F29-W117 AromaticContact CD1-CE3 3.82Å; F29-W117 HydrophobicContact CD1-CE3 3.82Å; F29-W117 AromaticContact CD1-CZ3 3.82Å; F29-W117 HydrophobicContact CD1-CZ3 3.82Å; F29-W117 HydrophobicContact CE1-CE3 4.18Å; F29-W117 HydrophobicContact CE1-CZ3 4.17Å; F29-W117 HydrophobicContact CG-CE3 4.47Å; F29-W117 HydrophobicContact CG-CZ3 4.1Å; F29-P129 HydrophobicContact CB-CG 4.38Å; F29-P129 HydrophobicContact CD1-CB 3.61Å; F29-P129 HydrophobicContact CD1-CG 3.68Å; F29-P129 HydrophobicContact CE1-CB 3.86Å; F29-P129 HydrophobicContact CE1-CG 3.99Å; F29-P129 HydrophobicContact CG-CB 4.35Å; F29-P129 HydrophobicContact CG-CG 3.95Å; F29-M131 HydrophobicContact CE1-CB 3.81Å; F29-M131 HydrophobicContact CZ-CB 4.12Å; F29-P163 HydrophobicContact CD2-CG 4.07Å; F29-P163 HydrophobicContact CE2-CG 4.47Å; F29-T166 HydrophobicContact CE2-CG2 4.08Å; F29-C205 HydrophobicContact CZ-CB 4.19Å |
| 30 | S | 96.1 | Very high | 98.4 | Very high | 118 Ų | 118 | 37 Ų | 37 | 83% | 0.825 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -37.6 | -178.5 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | N28 | N28-S30 VanDerWaalsContact C-N 3.3Å; N28-S30 PolarHBondContact O-N 2.97Å; N28-S30 WeakPolarHBondContact OD1-CB 3.41Å; N28-S30 PolarHBondContact OD1-N 3.4Å |
| 31 | T | 97.3 | Very high | 98.4 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.2 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | N28 T33 P110 | N28-T31 VanDerWaalsContact CB-OG1 3.31Å; N28-T31 WeakPolarHBondContact CB-OG1 2.97Å; N28-T31 PolarHBondContact ND2-OG1 3.1Å; N28-T31 PolarHBondContact O-N 3.28Å; N28-T31 PolarHBondContact OD1-N 3.47Å; T31-T33 VanDerWaalsContact C-N 3.26Å; T31-T33 WeakPolarHBondContact O-CG2 3.12Å; T31-T33 PolarHBondContact O-N 2.64Å; T31-T33 PolarHBondContact OG1-OG1 3.05Å; T31-P110 WeakPolarHBondContact O-CG 3.46Å |
| 32 | Q | 97.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 35.3 Ų | 35.3 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 44.7 | -172.5 | -63.2 | -177.3 | -21.6 | 0 | 0 | 112.1 | N28 P110 W117 | N28-Q32 WeakPolarHBondContact O-CA 3.43Å; N28-Q32 PolarHBondContact O-N 3.13Å; Q32-P110 HydrophobicContact CB-CB 4.17Å; Q32-P110 HydrophobicContact CB-CG 4.4Å; Q32-W117 HydrophobicContact CB-CB 4.24Å; Q32-W117 HydrophobicContact CB-CD2 3.78Å; Q32-W117 HydrophobicContact CB-CE3 4.37Å; Q32-W117 HydrophobicContact CB-CG 3.69Å; Q32-W117 HydrophobicContact CG-CB 3.88Å; Q32-W117 HydrophobicContact CG-CD2 4.07Å; Q32-W117 HydrophobicContact CG-CE3 4.38Å; Q32-W117 HydrophobicContact CG-CG 3.86Å; Q32-W117 VanDerWaalsContact O-CE2 3.29Å; Q32-W117 WeakPolarHBondContact O-CZ2 3.35Å; Q32-W117 PolarHBondContact O-NE1 3.02Å; Q32-W117 VanDerWaalsContact O-NE1 3.09Å |
| 33 | T | 98.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | N28 T31 T108 P110 W117 | N28-T33 PolarHBondContact N-O 3.18Å; N28-T33 PolarHBondContact O-N 3.05Å; T31-T33 VanDerWaalsContact C-N 3.26Å; T31-T33 WeakPolarHBondContact O-CG2 3.12Å; T31-T33 PolarHBondContact O-N 2.64Å; T31-T33 PolarHBondContact OG1-OG1 3.05Å; T33-T108 WeakPolarHBondContact CB-O 3.47Å; T33-T108 WeakPolarHBondContact CG2-O 3.49Å; T33-P110 HydrophobicContact CG2-CG 4.46Å; T33-W117 VanDerWaalsContact N-CZ2 3.31Å; T33-W117 WeakPolarHBondContact O-CH2 3.4Å |
| 34 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.9 | 159.5 | -58.5 | -176.4 | 0 | 0 | 0 | 106.8 | W25 K26 I27 E107 T108 L115 W117 M131 L143 | W25-I34 HydrophobicContact CB-CG2 3.6Å; W25-I34 HydrophobicContact CD2-CG2 3.88Å; W25-I34 HydrophobicContact CG-CG2 3.44Å; W25-I34 VanDerWaalsContact CG-CG2 3.44Å; K26-I34 WeakPolarHBondContact O-CA 3.29Å; I27-I34 HydrophobicContact CG1-CD1 4.24Å; I27-I34 HydrophobicContact CG1-CG1 4.15Å; I34-E107 WeakPolarHBondContact O-CA 3.32Å; I34-T108 HydrophobicContact CB-CG2 4.14Å; I34-T108 PolarHBondContact N-OG1 3.29Å; I34-T108 PolarHBondContact O-N 2.93Å; I34-L115 HydrophobicContact CB-CD1 4.44Å; I34-L115 HydrophobicContact CD1-CD1 3.77Å; I34-L115 HydrophobicContact CD1-CD2 3.91Å; I34-L115 HydrophobicContact CG1-CD1 3.83Å; I34-W117 HydrophobicContact CG1-CH2 4.29Å; I34-W117 HydrophobicContact CG1-CZ2 4.12Å; I34-M131 HydrophobicContact CD1-CE 3.86Å; I34-L143 HydrophobicContact CD1-CD1 3.98Å |
| 35 | S | 98.7 | Very high | 97.3 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.7 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | W25 K26 | W25-S35 CarbonylContact C-O 3.57Å; K26-S35 PolarHBondContact N-O 2.73Å; K26-S35 PolarHBondContact O-N 3.04Å |
| 36 | G | 98.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -139.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D24 D105 Y106 | D24-G36 CarbonylContact O-C 3.39Å; D24-G36 VanDerWaalsContact O-CA 3.28Å; D24-G36 WeakPolarHBondContact O-CA 3.44Å; G36-D105 WeakPolarHBondContact O-CA 3.37Å; G36-Y106 PolarHBondContact N-O 3.03Å; G36-Y106 PolarHBondContact O-N 3.1Å; G36-Y106 VanDerWaalsContact O-O 3.12Å |
| 37 | S | 98.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151.7 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 113 | D24 I104 D105 | D24-S37 PolarHBondContact N-O 3.4Å; D24-S37 PolarHBondContact O-N 3.27Å; S37-I104 CarbonylContact C-O 3.44Å; S37-I104 WeakPolarHBondContact CA-O 3.2Å; S37-I104 WeakPolarHBondContact CB-O 3.28Å; S37-D105 WeakPolarHBondContact CB-OD1 3.47Å |
| 38 | V | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.4 | 163.8 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | L21 E22 I23 I40 K103 I104 Y106 L144 | L21-V38 HydrophobicContact CD1-CG2 4.49Å; L21-V38 HydrophobicContact CD2-CG2 4.19Å; E22-V38 CarbonylContact O-C 3.6Å; E22-V38 WeakPolarHBondContact O-CA 3.21Å; I23-V38 HydrophobicContact CG1-CG2 4.27Å; V38-I40 HydrophobicContact CG1-CD1 4.31Å; V38-I40 HydrophobicContact CG1-CG1 4.17Å; V38-I40 HydrophobicContact CG2-CG1 3.91Å; V38-K103 WeakPolarHBondContact O-CA 3.44Å; V38-I104 HydrophobicContact CG1-CB 4.18Å; V38-I104 PolarHBondContact N-O 2.81Å; V38-I104 PolarHBondContact O-N 3.33Å; V38-Y106 HydrophobicContact CB-CE1 4.11Å; V38-Y106 HydrophobicContact CG1-CD1 4.41Å; V38-Y106 HydrophobicContact CG1-CE1 3.86Å; V38-L144 HydrophobicContact CG2-CD1 4.2Å |
| 39 | N | 98.8 | Very high | 93 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121 | 164.1 | -170.5 | -0.1 | 0 | 0 | 0 | 109.2 | L21 E22 F41 D101 V102 | L21-N39 WeakPolarHBondContact CA-O 3.35Å; E22-N39 HydrophobicContact CB-CB 4.2Å; E22-N39 PolarHBondContact N-O 3.41Å; E22-N39 PolarHBondContact O-N 3.35Å; N39-F41 HydrophobicContact CB-CE2 4.11Å; N39-F41 WeakPolarHBondContact ND2-CE2 3.32Å; N39-F41 WeakPolarHBondContact ND2-CZ 3.44Å; N39-D101 VanDerWaalsContact CG-OD1 3.32Å; N39-D101 VanDerWaalsContact ND2-CG 3.28Å; N39-D101 PolarHBondContact ND2-OD1 2.9Å; N39-D101 PolarHBondContact ND2-OD2 3.1Å; N39-D101 VanDerWaalsContact OD1-CG 3.24Å; N39-D101 PolarHBondContact OD1-OD1 3.44Å; N39-V102 WeakPolarHBondContact CA-O 3.28Å; N39-V102 PolarHBondContact OD1-N 2.99Å; N39-V102 PolarHBondContact OD1-O 2.9Å |
| 40 | I | 98.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.4 | -177.6 | -47.3 | 174.6 | 0 | 0 | 0 | 107.8 | T18 L21 V38 L42 L56 V102 I104 P145 | T18-I40 HydrophobicContact CG2-CG2 3.85Å; L21-I40 HydrophobicContact CD2-CB 3.93Å; L21-I40 HydrophobicContact CD2-CG1 3.75Å; L21-I40 HydrophobicContact CD2-CG2 3.71Å; V38-I40 HydrophobicContact CG1-CD1 4.31Å; V38-I40 HydrophobicContact CG1-CG1 4.17Å; V38-I40 HydrophobicContact CG2-CG1 3.91Å; I40-L42 HydrophobicContact CG2-CD1 4.42Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.82Å; I40-L56 HydrophobicContact CD1-CD1 3.57Å; I40-L56 HydrophobicContact CD1-CD2 4.27Å; I40-V102 HydrophobicContact CB-CB 4.35Å; I40-V102 PolarHBondContact N-O 3.43Å; I40-V102 PolarHBondContact O-N 3.4Å; I40-I104 HydrophobicContact CD1-CD1 4.1Å; I40-P145 WeakPolarHBondContact CD1-O 3.42Å |
| 41 | F | 98.4 | Very high | 90.9 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 18% | 0.18 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.3 | 177 | -63.6 | -100.9 | 0 | 0 | 0 | 108.2 | D19 K20 E22 N39 D101 | D19-F41 HydrophobicContact CB-CB 4.4Å; D19-F41 PolarHBondContact N-O 3.1Å; K20-F41 HydrophobicContact CD-CD2 3.88Å; K20-F41 HydrophobicContact CD-CE2 4.09Å; K20-F41 HydrophobicContact CD-CG 4.2Å; K20-F41 VanDerWaalsContact CE-CG 3.47Å; K20-F41 VanDerWaalsContact CE-CZ 3.49Å; K20-F41 HydrophobicContact CG-CB 3.77Å; K20-F41 HydrophobicContact CG-CD2 3.48Å; K20-F41 VanDerWaalsContact CG-CD2 3.48Å; K20-F41 HydrophobicContact CG-CE2 4.19Å; K20-F41 HydrophobicContact CG-CG 3.71Å; K20-F41 PolarHBondContact O-N 2.91Å; K20-F41 VanDerWaalsContact O-N 3.12Å; E22-F41 HydrophobicContact CB-CE2 4.42Å; E22-F41 HydrophobicContact CG-CE2 3.87Å; N39-F41 HydrophobicContact CB-CE2 4.11Å; N39-F41 WeakPolarHBondContact ND2-CE2 3.32Å; N39-F41 WeakPolarHBondContact ND2-CZ 3.44Å; F41-D101 HydrophobicContact CE1-CB 4.48Å |
| 42 | L | 96.6 | Very high | 90 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.1 | -175.6 | -64.1 | 168.8 | 0 | 0 | 0 | 111.3 | T17 T18 I40 I54 R99 Y100 V102 | T17-L42 CarbonylContact O-C 3.55Å; T17-L42 VanDerWaalsContact O-CA 3.29Å; T17-L42 WeakPolarHBondContact O-CA 3.37Å; T18-L42 WeakPolarHBondContact OG1-CD2 3.39Å; I40-L42 HydrophobicContact CG2-CD1 4.42Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.82Å; L42-I54 HydrophobicContact CD1-CB 4.45Å; L42-I54 HydrophobicContact CD1-CD1 3.9Å; L42-I54 HydrophobicContact CD1-CG1 4.19Å; L42-I54 HydrophobicContact CD1-CG2 3.46Å; L42-I54 VanDerWaalsContact CD1-CG2 3.46Å; L42-R99 CarbonylContact O-C 3.5Å; L42-R99 VanDerWaalsContact O-CA 3.3Å; L42-R99 WeakPolarHBondContact O-CA 3.22Å; L42-Y100 PolarHBondContact N-O 3.26Å; L42-Y100 PolarHBondContact O-N 3.47Å; L42-V102 HydrophobicContact CD1-CG2 3.8Å |
| 43 | E | 94.4 | Very high | 89.8 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.7 | 170.2 | -176.7 | 158.2 | -120.3 | 0 | 0 | 110.3 | Y16 T17 N98 R99 | Y16-E43 CarbonylContact C-O 3.47Å; Y16-E43 WeakPolarHBondContact CA-O 3.39Å; T17-E43 PolarHBondContact N-O 3.41Å; T17-E43 PolarHBondContact O-N 3Å; T17-E43 PolarHBondContact OG1-O 2.89Å; E43-N98 WeakPolarHBondContact CA-O 3.5Å; E43-R99 HydrophobicContact CG-CG 4.42Å; E43-R99 IonicContact OE1-CZ 3.97Å; E43-R99 VanDerWaalsContact OE1-CZ 3.27Å; E43-R99 IonicContact OE1-NE 3.57Å; E43-R99 PolarHBondContact OE1-NE 3.13Å; E43-R99 IonicContact OE1-NH2 3Å; E43-R99 PolarHBondContact OE1-NH2 3.09Å; E43-R99 IonicContact OE2-NH2 3.01Å |
| 44 | K | 91.6 | Very high | 89.6 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 14% | 0.135 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.7 | 177.9 | -166.6 | -179.3 | -172.8 | -167.5 | 0 | 109.9 | Y16 C46 P47 N49 N98 | Y16-K44 HydrophobicContact CD1-CB 4.11Å; Y16-K44 HydrophobicContact CD1-CG 4.27Å; Y16-K44 HydrophobicContact CE1-CB 3.92Å; Y16-K44 HydrophobicContact CE1-CD 4.35Å; Y16-K44 HydrophobicContact CE1-CG 3.85Å; K44-C46 WeakPolarHBondContact CE-O 3.23Å; K44-P47 PolarHBondContact NZ-O 3.45Å; K44-N49 VanDerWaalsContact CE-O 3.26Å; K44-N49 WeakPolarHBondContact CE-O 3.3Å; K44-N49 PolarHBondContact NZ-O 3.1Å; K44-N98 PolarHBondContact N-O 3.32Å |
| 45 | V | 89.2 | Confident | 89.5 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -78.4 | -41.6 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 112 | S14 I15 T17 P47 | S14-V45 WeakPolarHBondContact O-CB 3.33Å; I15-V45 PolarHBondContact O-N 2.99Å; T17-V45 HydrophobicContact CG2-CG2 3.52Å; V45-P47 WeakPolarHBondContact O-CD 3.34Å |
| 46 | C | 80.5 | Confident | 89.5 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | trans | -113.4 | 96 | -180 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | K44 D48 N49 | K44-C46 WeakPolarHBondContact CE-O 3.23Å; C46-D48 PolarHBondContact O-N 3.49Å; C46-D48 VanDerWaalsContact O-N 3.11Å; C46-N49 HydrophobicContact CB-CB 4.1Å; C46-N49 WeakPolarHBondContact O-CB 3.34Å; C46-N49 PolarHBondContact O-N 3.46Å | ||
| 47 | P | 73.7 | Confident | 89.5 | Confident | 78 Ų | 78 | 45.3 Ų | 45.3 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34.2 | -178.8 | -28.4 | 35.9 | 0 | 0 | 0 | 113.7 | K44 V45 N49 | K44-P47 PolarHBondContact NZ-O 3.45Å; V45-P47 WeakPolarHBondContact O-CD 3.34Å; P47-N49 VanDerWaalsContact C-N 3.29Å; P47-N49 PolarHBondContact O-N 3.26Å |
| 48 | D | 77.6 | Confident | 89.5 | Confident | 153 Ų | 153 | 44.7 Ų | 44.7 | 82% | 0.818 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -11.2 | 180 | -60.9 | -29.3 | 0 | 0 | 0 | 114.2 | C46 L50 | C46-D48 PolarHBondContact O-N 3.49Å; C46-D48 VanDerWaalsContact O-N 3.11Å; D48-L50 PolarHBondContact O-N 3.06Å; D48-L50 VanDerWaalsContact O-N 3.13Å |
| 49 | N | 73.4 | Confident | 89.4 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | trans | -64.8 | 116.9 | 176.6 | -171.5 | -21 | 0 | 0 | 0 | 109.7 | I15 K44 C46 P47 N51 | I15-N49 WeakPolarHBondContact CG1-ND2 3.31Å; I15-N49 WeakPolarHBondContact CG2-ND2 3.48Å; K44-N49 VanDerWaalsContact CE-O 3.26Å; K44-N49 WeakPolarHBondContact CE-O 3.3Å; K44-N49 PolarHBondContact NZ-O 3.1Å; C46-N49 HydrophobicContact CB-CB 4.1Å; C46-N49 WeakPolarHBondContact O-CB 3.34Å; C46-N49 PolarHBondContact O-N 3.46Å; P47-N49 VanDerWaalsContact C-N 3.29Å; P47-N49 PolarHBondContact O-N 3.26Å; N49-N51 VanDerWaalsContact C-N 3.31Å; N49-N51 PolarHBondContact O-N 3.18Å; N49-N51 WeakPolarHBondContact OD1-CB 3.47Å; N49-N51 PolarHBondContact OD1-N 2.79Å | ||
| 50 | L | 73.9 | Confident | 89.2 | Confident | 167 Ų | 167 | 49.2 Ų | 49.2 | 87% | 0.874 | 27% | 0.267 | S | S | * | . | trans | -79 | -12 | -176.1 | -66.4 | 173.5 | 0 | 0 | 0 | 113.6 | D48 P52 | D48-L50 PolarHBondContact O-N 3.06Å; D48-L50 VanDerWaalsContact O-N 3.13Å; L50-P52 WeakPolarHBondContact O-CD 3.4Å | ||
| 51 | N | 75.3 | Confident | 89.2 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -75.9 | 113.6 | 176.8 | -171.3 | 0.3 | 0 | 0 | 0 | 109.5 | Y16 N49 N53 | Y16-N51 PolarHBondContact OH-O 3.43Å; N49-N51 VanDerWaalsContact C-N 3.31Å; N49-N51 PolarHBondContact O-N 3.18Å; N49-N51 WeakPolarHBondContact OD1-CB 3.47Å; N49-N51 PolarHBondContact OD1-N 2.79Å; N51-N53 VanDerWaalsContact C-N 3.32Å; N51-N53 WeakPolarHBondContact OD1-CB 3.37Å; N51-N53 PolarHBondContact OD1-N 3.18Å | ||
| 52 | P | 77.5 | Confident | 89.2 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | trans | -85.3 | -8.6 | 179.8 | 36.5 | -33.8 | 0 | 0 | 0 | 112.3 | Y16 L50 I54 P93 | Y16-P52 PolarHBondContact OH-O 3.33Å; L50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-I54 PolarHBondContact O-N 2.98Å; P52-P93 WeakPolarHBondContact O-CD 3.49Å; P52-P93 VanDerWaalsContact O-CG 3.27Å; P52-P93 WeakPolarHBondContact O-CG 3.42Å | ||
| 53 | N | 93.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -75.5 | 130.9 | -169.2 | -65.6 | 4.4 | 0 | 0 | 0 | 111 | Y16 N51 L55 E90 I91 | Y16-N53 WeakPolarHBondContact CE2-O 3.44Å; N51-N53 VanDerWaalsContact C-N 3.32Å; N51-N53 WeakPolarHBondContact OD1-CB 3.37Å; N51-N53 PolarHBondContact OD1-N 3.18Å; N53-L55 HydrophobicContact CB-CD2 4.5Å; N53-E90 HydrophobicContact CB-CG 4.18Å; N53-E90 PolarHBondContact ND2-OE1 3.06Å; N53-I91 WeakPolarHBondContact CA-O 3.34Å | ||
| 54 | I | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.5 | 174.3 | -62.6 | 161.9 | 0 | 0 | 0 | 107.3 | Y16 L42 P52 L56 I91 P93 Y100 V102 | Y16-I54 HydrophobicContact CD2-CG1 4.2Å; Y16-I54 HydrophobicContact CE2-CG1 3.96Å; L42-I54 HydrophobicContact CD1-CB 4.45Å; L42-I54 HydrophobicContact CD1-CD1 3.9Å; L42-I54 HydrophobicContact CD1-CG1 4.19Å; L42-I54 HydrophobicContact CD1-CG2 3.46Å; L42-I54 VanDerWaalsContact CD1-CG2 3.46Å; P52-I54 PolarHBondContact O-N 2.98Å; I54-L56 HydrophobicContact CG2-CD2 4.32Å; I54-L56 HydrophobicContact CG2-CG 4.27Å; I54-I91 HydrophobicContact CB-CB 4.21Å; I54-I91 PolarHBondContact N-O 3.02Å; I54-I91 PolarHBondContact O-N 3.39Å; I54-P93 HydrophobicContact CD1-CG 3.82Å; I54-P93 HydrophobicContact CG1-CG 4.29Å; I54-Y100 HydrophobicContact CD1-CD2 4Å; I54-Y100 HydrophobicContact CD1-CG 4.02Å; I54-V102 HydrophobicContact CD1-CG2 3.96Å |
| 55 | L | 96.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.3 | -179.7 | -54.1 | -175.7 | 0 | 0 | 0 | 109.5 | S11 N53 E90 | S11-L55 WeakPolarHBondContact CB-O 3.37Å; N53-L55 HydrophobicContact CB-CD2 4.5Å; L55-E90 HydrophobicContact CD2-CB 3.89Å; L55-E90 HydrophobicContact CD2-CG 3.8Å |
| 56 | L | 98.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151.3 | 175.9 | -57.9 | 174.8 | 0 | 0 | 0 | 110.4 | I40 I54 C88 L89 I91 I104 P145 Q147 | I40-L56 HydrophobicContact CD1-CD1 3.57Å; I40-L56 HydrophobicContact CD1-CD2 4.27Å; I54-L56 HydrophobicContact CG2-CD2 4.32Å; I54-L56 HydrophobicContact CG2-CG 4.27Å; L56-C88 WeakPolarHBondContact O-CA 3.46Å; L56-L89 HydrophobicContact CB-CB 4.31Å; L56-L89 HydrophobicContact CD1-CD2 4.37Å; L56-L89 PolarHBondContact N-O 3.31Å; L56-L89 PolarHBondContact O-N 2.69Å; L56-I91 HydrophobicContact CD1-CD1 3.88Å; L56-I104 HydrophobicContact CD1-CD1 3.57Å; L56-P145 HydrophobicContact CD1-CB 4.35Å; L56-Q147 HydrophobicContact CD2-CG 3.99Å |
| 57 | D | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.1 | 172.9 | -60.6 | -67.6 | 0 | 0 | 0 | 110.1 | S9 Y10 R141 C146 D148 | S9-D57 PolarHBondContact OG-OD1 3.18Å; S9-D57 PolarHBondContact OG-OD2 3.17Å; Y10-D57 WeakPolarHBondContact CB-OD1 3.41Å; Y10-D57 WeakPolarHBondContact CD2-OD1 3.38Å; Y10-D57 PolarHBondContact N-OD1 2.98Å; D57-R141 HydrophobicContact CB-CB 3.72Å; D57-R141 IonicContact OD1-NH1 3.45Å; D57-C146 PolarHBondContact N-O 3.16Å; D57-C146 PolarHBondContact O-N 3.48Å; D57-D148 HydrophobicContact CB-CB 3.7Å; D57-D148 PolarHBondContact OD2-N 3.07Å |
| 58 | T | 98.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.4 | 174.6 | 62 | 0 | 0 | 0 | 0 | 110.6 | L61 L77 G86 S87 L89 R141 P145 | T58-L61 HydrophobicContact CG2-CD1 4.39Å; T58-L77 HydrophobicContact CG2-CD2 4.45Å; T58-L77 WeakPolarHBondContact OG1-CD2 3.39Å; T58-G86 CarbonylContact O-C 3.53Å; T58-G86 WeakPolarHBondContact O-CA 3.34Å; T58-S87 PolarHBondContact N-O 3.34Å; T58-S87 PolarHBondContact O-N 3.47Å; T58-S87 PolarHBondContact OG1-O 3.01Å; T58-L89 HydrophobicContact CG2-CB 3.71Å; T58-L89 HydrophobicContact CG2-CD2 4.2Å; T58-R141 CarbonylContact C-O 3.57Å; T58-R141 WeakPolarHBondContact CA-O 3.34Å; T58-P145 HydrophobicContact CG2-CB 3.87Å; T58-P145 HydrophobicContact CG2-CG 4.31Å |
| 59 | R | 97.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -147.9 | 125.3 | 171.9 | 177.5 | 173.5 | 175.6 | 177.8 | -4.4 | 109.7 | L61 A84 R141 S142 | R59-L61 PolarHBondContact O-N 3.29Å; R59-A84 PolarHBondContact NH1-O 3.12Å; R59-R141 HydrophobicContact CB-CG 3.86Å; R59-R141 PolarHBondContact N-O 3.41Å; R59-S142 WeakPolarHBondContact O-CA 3.42Å; R59-S142 VanDerWaalsContact O-CB 3.28Å; R59-S142 WeakPolarHBondContact O-CB 3.29Å |
| 60 | D | 95.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 53 | 32.5 | 177.1 | -52.7 | -43.3 | 0 | 0 | 0 | 113.8 | S109 | D60-S109 WeakPolarHBondContact O-CB 3.45Å; D60-S109 PolarHBondContact O-N 3.21Å |
| 61 | L | 98 | Very high | 95.2 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.7 | 173.4 | -61.8 | -174.4 | 0 | 0 | 0 | 110.1 | T58 R59 I63 Y106 T108 R141 S142 P145 | T58-L61 HydrophobicContact CG2-CD1 4.39Å; R59-L61 PolarHBondContact O-N 3.29Å; L61-I63 HydrophobicContact CB-CD1 4.08Å; L61-Y106 HydrophobicContact CD1-CD2 4.21Å; L61-Y106 HydrophobicContact CD1-CE2 4.42Å; L61-Y106 HydrophobicContact CD2-CD2 4.16Å; L61-Y106 HydrophobicContact CD2-CE2 4.31Å; L61-T108 HydrophobicContact CD2-CG2 3.93Å; L61-R141 VanDerWaalsContact CD1-O 3.31Å; L61-R141 WeakPolarHBondContact CD1-O 3.2Å; L61-S142 WeakPolarHBondContact CD2-O 3.46Å; L61-P145 HydrophobicContact CD1-CG 3.8Å |
| 62 | K | 98.3 | Very high | 96.3 | Very high | 119 Ų | 119 | 45.7 Ų | 45.7 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108 | 169.1 | -173.4 | -166.5 | -179 | -177.2 | 0 | 109.2 | Y106 E107 | K62-Y106 VanDerWaalsContact O-CA 3.23Å; K62-Y106 WeakPolarHBondContact O-CA 3.46Å; K62-Y106 WeakPolarHBondContact O-CB 3.43Å; K62-E107 HydrophobicContact CB-CG 3.88Å; K62-E107 HydrophobicContact CD-CG 3.95Å; K62-E107 WeakPolarHBondContact CD-OE1 3.17Å; K62-E107 WeakPolarHBondContact CE-OE1 3.39Å; K62-E107 PolarHBondContact N-O 3.34Å; K62-E107 IonicContact NZ-OE1 3.54Å; K62-E107 PolarHBondContact NZ-OE1 3.08Å; K62-E107 PolarHBondContact O-N 3.22Å |
| 63 | I | 98.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.5 | 178.3 | -50.2 | -55.3 | 0 | 0 | 0 | 109.2 | L61 V66 W75 L77 I104 P145 | L61-I63 HydrophobicContact CB-CD1 4.08Å; I63-V66 HydrophobicContact CG2-CG2 3.93Å; I63-W75 HydrophobicContact CB-CH2 3.63Å; I63-W75 HydrophobicContact CB-CZ2 4.35Å; I63-W75 HydrophobicContact CB-CZ3 3.82Å; I63-W75 HydrophobicContact CG1-CZ3 4.47Å; I63-W75 HydrophobicContact CG2-CE3 4.27Å; I63-W75 HydrophobicContact CG2-CH2 3.56Å; I63-W75 HydrophobicContact CG2-CZ2 3.81Å; I63-W75 HydrophobicContact CG2-CZ3 3.81Å; I63-L77 HydrophobicContact CG1-CD2 4.48Å; I63-I104 HydrophobicContact CD1-CG2 4.22Å; I63-I104 HydrophobicContact CG2-CG2 3.9Å; I63-P145 HydrophobicContact CD1-CG 3.75Å |
| 64 | H | 98.4 | Very high | 97.4 | Very high | 95 Ų | 95 | 50 Ų | 50 | 44% | 0.44 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -44.1 | 179.1 | -61.3 | -57.9 | 0 | 0 | 0 | 112.2 | D105 E107 | H64-D105 HydrophobicContact CB-CB 4.22Å; H64-D105 WeakPolarHBondContact CB-O 3.29Å; H64-D105 PolarHBondContact N-O 3.07Å; H64-E107 IonicContact CE1-OE1 2.78Å; H64-E107 IonicContact NE2-OE1 3.49Å |
| 65 | S | 98.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 149.3 | -172.8 | 113.2 | 0 | 0 | 0 | 0 | 110.4 | H67 I104 D105 | S65-H67 PolarHBondContact OG-CE1 2.99Å; S65-H67 PolarHBondContact OG-ND1 3.38Å; S65-H67 VanDerWaalsContact OG-ND1 3.11Å; S65-I104 WeakPolarHBondContact O-CA 3.28Å; S65-D105 PolarHBondContact N-O 3.01Å; S65-D105 PolarHBondContact O-N 3.48Å; S65-D105 PolarHBondContact OG-OD2 3.33Å |
| 66 | V | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.3 | 171 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | I63 V73 W75 I91 V102 K103 I104 | I63-V66 HydrophobicContact CG2-CG2 3.93Å; V66-V73 HydrophobicContact CB-CG2 4.18Å; V66-V73 HydrophobicContact CG1-CG2 3.74Å; V66-V73 PolarHBondContact O-N 2.98Å; V66-W75 HydrophobicContact CB-CB 4.46Å; V66-W75 VanDerWaalsContact CB-CD1 3.48Å; V66-W75 HydrophobicContact CB-CG 3.93Å; V66-W75 HydrophobicContact CG2-CB 4.21Å; V66-W75 HydrophobicContact CG2-CD2 3.77Å; V66-W75 HydrophobicContact CG2-CG 3.57Å; V66-I91 HydrophobicContact CG1-CD1 3.74Å; V66-I91 HydrophobicContact CG1-CG1 4.02Å; V66-I91 HydrophobicContact CG1-CG2 3.94Å; V66-V102 HydrophobicContact CG1-CG1 4.18Å; V66-K103 WeakPolarHBondContact CA-O 3.26Å; V66-I104 HydrophobicContact CG1-CG1 4.22Å; V66-I104 HydrophobicContact CG2-CG1 4.25Å; V66-I104 HydrophobicContact CG2-CG2 4.27Å |
| 67 | H | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 27% | 0.269 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.5 | 174.2 | -62.5 | 78.3 | 0 | 0 | 0 | 109.2 | S65 E71 V102 K103 | S65-H67 PolarHBondContact OG-CE1 2.99Å; S65-H67 PolarHBondContact OG-ND1 3.38Å; S65-H67 VanDerWaalsContact OG-ND1 3.11Å; H67-E71 CarbonylContact C-O 3.39Å; H67-E71 VanDerWaalsContact CA-O 3.25Å; H67-E71 WeakPolarHBondContact CA-O 3.39Å; H67-V102 WeakPolarHBondContact O-CA 3.35Å; H67-K103 PolarHBondContact N-O 3.05Å; H67-K103 PolarHBondContact O-N 2.91Å |
| 68 | V | 97.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | S70 E71 V73 I91 Y100 D101 V102 | V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 2.75Å; V68-E71 PolarHBondContact N-O 3.05Å; V68-E71 PolarHBondContact O-N 2.92Å; V68-V73 HydrophobicContact CB-CG1 3.68Å; V68-V73 HydrophobicContact CB-CG2 4.48Å; V68-V73 HydrophobicContact CG2-CB 4.3Å; V68-V73 HydrophobicContact CG2-CG1 3.71Å; V68-V73 HydrophobicContact CG2-CG2 3.69Å; V68-I91 HydrophobicContact CG2-CG2 3.93Å; V68-Y100 HydrophobicContact CG1-CD1 3.46Å; V68-Y100 VanDerWaalsContact CG1-CD1 3.46Å; V68-Y100 HydrophobicContact CG1-CE1 4.23Å; V68-Y100 HydrophobicContact CG1-CG 4.25Å; V68-D101 CarbonylContact C-O 3.47Å; V68-D101 VanDerWaalsContact CA-O 3.22Å; V68-D101 WeakPolarHBondContact CA-O 3.48Å; V68-V102 HydrophobicContact CG2-CG1 4.43Å; V68-V102 HydrophobicContact CG2-CG2 4.22Å |
| 69 | N | 95.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 67.3 Ų | 67.3 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 45.1 | -175 | -58.2 | -34.1 | 0 | 0 | 0 | 112.1 | E71 D101 | N69-E71 PolarHBondContact O-N 3.37Å; N69-D101 PolarHBondContact N-O 3.39Å; N69-D101 PolarHBondContact OD1-N 3.34Å |
| 70 | S | 94.8 | Very high | 97.3 | Very high | 100 Ų | 100 | 68.8 Ų | 68.8 | 70% | 0.699 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 1.7 | -175.6 | -53.2 | 0 | 0 | 0 | 0 | 116.9 | V68 | V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 2.75Å |
| 71 | E | 96.7 | Very high | 97.1 | Very high | 121 Ų | 121 | 70.6 Ų | 70.6 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.2 | 177.5 | -67.6 | -62.6 | 147.7 | 0 | 0 | 111.5 | H67 V68 N69 | H67-E71 CarbonylContact C-O 3.39Å; H67-E71 VanDerWaalsContact CA-O 3.25Å; H67-E71 WeakPolarHBondContact CA-O 3.39Å; V68-E71 PolarHBondContact N-O 3.05Å; V68-E71 PolarHBondContact O-N 2.92Å; N69-E71 PolarHBondContact O-N 3.37Å |
| 72 | P | 97.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 140.3 | 175.3 | 27.7 | -34.1 | 0 | 0 | 0 | 111 | N94 | P72-N94 PolarHBondContact O-ND2 3.46Å |
| 73 | V | 97.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 72 Ų | 72 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | trans | -125.3 | 164.8 | -178 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | V66 V68 I91 | V66-V73 HydrophobicContact CB-CG2 4.18Å; V66-V73 HydrophobicContact CG1-CG2 3.74Å; V66-V73 PolarHBondContact O-N 2.98Å; V68-V73 HydrophobicContact CB-CG1 3.68Å; V68-V73 HydrophobicContact CB-CG2 4.48Å; V68-V73 HydrophobicContact CG2-CB 4.3Å; V68-V73 HydrophobicContact CG2-CG1 3.71Å; V68-V73 HydrophobicContact CG2-CG2 3.69Å; V73-I91 HydrophobicContact CG2-CG2 3.75Å | ||
| 74 | K | 97.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 71.9 Ų | 71.9 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 134.7 | 168.3 | -68.9 | -178.3 | -179.1 | 177 | 0 | 109.6 | I92 | K74-I92 HydrophobicContact CB-CB 4.36Å; K74-I92 HydrophobicContact CB-CD1 4.3Å; K74-I92 PolarHBondContact O-N 3.34Å |
| 75 | W | 97.9 | Very high | 96 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.6 | 174.4 | 61.2 | -88.1 | 0 | 0 | 0 | 109.9 | I63 V66 L77 L89 E90 I91 | I63-W75 HydrophobicContact CB-CH2 3.63Å; I63-W75 HydrophobicContact CB-CZ2 4.35Å; I63-W75 HydrophobicContact CB-CZ3 3.82Å; I63-W75 HydrophobicContact CG1-CZ3 4.47Å; I63-W75 HydrophobicContact CG2-CE3 4.27Å; I63-W75 HydrophobicContact CG2-CH2 3.56Å; I63-W75 HydrophobicContact CG2-CZ2 3.81Å; I63-W75 HydrophobicContact CG2-CZ3 3.81Å; V66-W75 HydrophobicContact CB-CB 4.46Å; V66-W75 VanDerWaalsContact CB-CD1 3.48Å; V66-W75 HydrophobicContact CB-CG 3.93Å; V66-W75 HydrophobicContact CG2-CB 4.21Å; V66-W75 HydrophobicContact CG2-CD2 3.77Å; V66-W75 HydrophobicContact CG2-CG 3.57Å; W75-L77 HydrophobicContact CZ3-CG 4.43Å; W75-L89 HydrophobicContact CB-CD1 4.3Å; W75-L89 HydrophobicContact CD2-CD1 4.23Å; W75-L89 HydrophobicContact CE3-CD1 3.52Å; W75-L89 HydrophobicContact CZ3-CD1 4.22Å; W75-E90 CarbonylContact C-O 3.37Å; W75-E90 WeakPolarHBondContact CA-O 3.49Å; W75-E90 WeakPolarHBondContact CB-O 3.33Å; W75-I91 HydrophobicContact CB-CG1 4.23Å |
| 76 | H | 97.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155 | 170.4 | 59.8 | -79.1 | 0 | 0 | 0 | 111.1 | E90 | H76-E90 IonicContact CE1-OE2 3.69Å; H76-E90 PolarHBondContact CE1-OE2 3.44Å; H76-E90 PolarHBondContact N-O 2.83Å; H76-E90 IonicContact NE2-OE2 3.66Å; H76-E90 PolarHBondContact NE2-OE2 3.1Å; H76-E90 VanDerWaalsContact NE2-OE2 3.12Å; H76-E90 PolarHBondContact O-N 3.33Å |
| 77 | L | 98.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119.6 | 168.9 | -66.6 | 169.7 | 0 | 0 | 0 | 108.4 | T58 I63 W75 L89 | T58-L77 HydrophobicContact CG2-CD2 4.45Å; T58-L77 WeakPolarHBondContact OG1-CD2 3.39Å; I63-L77 HydrophobicContact CG1-CD2 4.48Å; W75-L77 HydrophobicContact CZ3-CG 4.43Å; L77-L89 HydrophobicContact CD2-CB 3.9Å; L77-L89 HydrophobicContact CD2-CD1 3.99Å |
| 78 | K | 97.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 65.1 Ų | 65.1 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 150.4 | 173.6 | -68 | -177.4 | 176.1 | 167.8 | 0 | 110.2 | C88 E90 | K78-C88 HydrophobicContact CB-CB 4.19Å; K78-C88 HydrophobicContact CD-CB 4.23Å; K78-C88 HydrophobicContact CG-CB 4.48Å; K78-C88 PolarHBondContact N-O 2.52Å; K78-E90 WeakPolarHBondContact CE-OE1 3.48Å; K78-E90 WeakPolarHBondContact CE-OE2 3.4Å; K78-E90 IonicContact NZ-OE1 2.63Å; K78-E90 PolarHBondContact NZ-OE1 3.16Å; K78-E90 IonicContact NZ-OE2 3.62Å; K78-E90 PolarHBondContact NZ-OE2 2.92Å |
| 79 | P | 96.1 | Very high | 95.9 | Very high | 115 Ų | 115 | 64.8 Ų | 64.8 | 75% | 0.747 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 141.9 | 175 | -24.3 | 34 | 0 | 0 | 0 | 112 | T81 | P79-T81 PolarHBondContact O-N 3.32Š|
| 80 | I | 95.2 | Very high | 96 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.8 | 175.5 | -61.3 | 176.1 | 0 | 0 | 0 | 108.9 | V82 S87 | I80-V82 WeakPolarHBondContact CG2-O 3.19Å; I80-S87 VanDerWaalsContact CG1-OG 3.31Å; I80-S87 WeakPolarHBondContact CG1-OG 3.45Å |
| 81 | T | 91.5 | Very high | 96.1 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -98.9 | -36 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | Y10 P79 | Y10-T81 PolarHBondContact OH-OG1 3.5Å; Y10-T81 VanDerWaalsContact OH-OG1 3.09Å; P79-T81 PolarHBondContact O-N 3.32Å |
| 82 | V | 92 | Very high | 96.1 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -133 | 125.5 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | I80 A84 F85 | I80-V82 WeakPolarHBondContact CG2-O 3.19Å; V82-A84 VanDerWaalsContact C-N 3.28Å; V82-A84 HydrophobicContact CG1-CB 4.44Å; V82-A84 PolarHBondContact O-N 3.49Å; V82-F85 HydrophobicContact CB-CB 4.25Å; V82-F85 HydrophobicContact CB-CD1 4.39Å; V82-F85 HydrophobicContact CB-CD2 3.71Å; V82-F85 HydrophobicContact CB-CE2 4.12Å; V82-F85 HydrophobicContact CB-CG 3.86Å; V82-F85 HydrophobicContact CG1-CD1 4.09Å; V82-F85 HydrophobicContact CG1-CD2 4.19Å; V82-F85 HydrophobicContact CG1-CE1 4.19Å; V82-F85 HydrophobicContact CG1-CE2 4.31Å; V82-F85 HydrophobicContact CG1-CG 4.08Å; V82-F85 HydrophobicContact CG1-CZ 4.3Å; V82-F85 HydrophobicContact CG2-CD2 3.99Å; V82-F85 HydrophobicContact CG2-CE2 4.05Å; V82-F85 PolarHBondContact O-N 3Å |
| 83 | Q | 92.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 51.6 Ų | 51.6 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -56 | -42.9 | -171.7 | -175.5 | 61.3 | 26.6 | 0 | 0 | 112.7 | F85 G86 | Q83-F85 PolarHBondContact O-N 2.78Å; Q83-G86 PolarHBondContact O-N 3.08Å |
| 84 | A | 89.9 | Confident | 95.5 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -60.6 | -32.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R59 V82 G86 D372 | R59-A84 PolarHBondContact NH1-O 3.12Å; V82-A84 VanDerWaalsContact C-N 3.28Å; V82-A84 HydrophobicContact CG1-CB 4.44Å; V82-A84 PolarHBondContact O-N 3.49Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 2.85Å; A84-D372 HydrophobicContact CB-CB 3.6Å; A84-D372 VanDerWaalsContact CB-CG 3.49Å; A84-D372 VanDerWaalsContact CB-OD2 3.25Å; A84-D372 WeakPolarHBondContact CB-OD2 3.38Å |
| 85 | F | 95.3 | Very high | 95 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -81.5 | -15.6 | -173 | -63.3 | -2 | 0 | 0 | 0 | 112.8 | H7 Y10 V82 Q83 I138 R141 I371 | H7-F85 WeakPolarHBondContact O-CE2 3.47Å; Y10-F85 HydrophobicContact CE2-CB 3.98Å; V82-F85 HydrophobicContact CB-CB 4.25Å; V82-F85 HydrophobicContact CB-CD1 4.39Å; V82-F85 HydrophobicContact CB-CD2 3.71Å; V82-F85 HydrophobicContact CB-CE2 4.12Å; V82-F85 HydrophobicContact CB-CG 3.86Å; V82-F85 HydrophobicContact CG1-CD1 4.09Å; V82-F85 HydrophobicContact CG1-CD2 4.19Å; V82-F85 HydrophobicContact CG1-CE1 4.19Å; V82-F85 HydrophobicContact CG1-CE2 4.31Å; V82-F85 HydrophobicContact CG1-CG 4.08Å; V82-F85 HydrophobicContact CG1-CZ 4.3Å; V82-F85 HydrophobicContact CG2-CD2 3.99Å; V82-F85 HydrophobicContact CG2-CE2 4.05Å; V82-F85 PolarHBondContact O-N 3Å; Q83-F85 PolarHBondContact O-N 2.78Å; F85-I138 HydrophobicContact CD1-CD1 3.81Å; F85-I138 HydrophobicContact CE1-CD1 4.2Å; F85-R141 PolarHBondContact O-NH1 3.48Å; F85-R141 VanDerWaalsContact O-NH1 3.17Å; F85-I371 WeakPolarHBondContact CE1-O 3.25Å |
| 86 | G | 96.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | 66.7 | -146 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y10 T58 Q83 A84 | Y10-G86 WeakPolarHBondContact CE2-O 3.41Å; Y10-G86 PolarHBondContact OH-O 3.29Å; T58-G86 CarbonylContact O-C 3.53Å; T58-G86 WeakPolarHBondContact O-CA 3.34Å; Q83-G86 PolarHBondContact O-N 3.08Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 2.85Å | ||
| 87 | S | 97.5 | Very high | 94 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145.5 | -174.2 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | T58 I80 | T58-S87 PolarHBondContact N-O 3.34Å; T58-S87 PolarHBondContact O-N 3.47Å; T58-S87 PolarHBondContact OG1-O 3.01Å; I80-S87 VanDerWaalsContact CG1-OG 3.31Å; I80-S87 WeakPolarHBondContact CG1-OG 3.45Å |
| 88 | C | 98 | Very high | 93.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.6 | 167.8 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | Y10 L56 K78 E90 | Y10-C88 HydrophobicContact CD1-CB 4.06Å; Y10-C88 HydrophobicContact CD2-CB 3.78Å; Y10-C88 HydrophobicContact CE2-CB 4.33Å; Y10-C88 HydrophobicContact CG-CB 3.61Å; L56-C88 WeakPolarHBondContact O-CA 3.46Å; K78-C88 HydrophobicContact CB-CB 4.19Å; K78-C88 HydrophobicContact CD-CB 4.23Å; K78-C88 HydrophobicContact CG-CB 4.48Å; K78-C88 PolarHBondContact N-O 2.52Å; C88-E90 PolarHBondContact O-N 3.37Å |
| 89 | L | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107 | 167.2 | 175.5 | 60.9 | 0 | 0 | 0 | 108.5 | L56 T58 W75 L77 I91 I104 P145 | L56-L89 HydrophobicContact CB-CB 4.31Å; L56-L89 HydrophobicContact CD1-CD2 4.37Å; L56-L89 PolarHBondContact N-O 3.31Å; L56-L89 PolarHBondContact O-N 2.69Å; T58-L89 HydrophobicContact CG2-CB 3.71Å; T58-L89 HydrophobicContact CG2-CD2 4.2Å; W75-L89 HydrophobicContact CB-CD1 4.3Å; W75-L89 HydrophobicContact CD2-CD1 4.23Å; W75-L89 HydrophobicContact CE3-CD1 3.52Å; W75-L89 HydrophobicContact CZ3-CD1 4.22Å; L77-L89 HydrophobicContact CD2-CB 3.9Å; L77-L89 HydrophobicContact CD2-CD1 3.99Å; L89-I91 HydrophobicContact CD1-CG1 4.46Å; L89-I91 HydrophobicContact CD2-CD1 4.2Å; L89-I91 HydrophobicContact CD2-CG1 4.44Å; L89-I91 HydrophobicContact CG-CD1 4.28Å; L89-I91 HydrophobicContact CG-CG1 4.03Å; L89-I104 HydrophobicContact CD2-CD1 3.89Å; L89-P145 HydrophobicContact CD2-CB 4.18Å |
| 90 | E | 98.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.1 | 174.8 | 178.5 | 166.1 | -111.8 | 0 | 0 | 109.9 | N53 L55 W75 H76 K78 C88 | N53-E90 HydrophobicContact CB-CG 4.18Å; N53-E90 PolarHBondContact ND2-OE1 3.06Å; L55-E90 HydrophobicContact CD2-CB 3.89Å; L55-E90 HydrophobicContact CD2-CG 3.8Å; W75-E90 CarbonylContact C-O 3.37Å; W75-E90 WeakPolarHBondContact CA-O 3.49Å; W75-E90 WeakPolarHBondContact CB-O 3.33Å; H76-E90 IonicContact CE1-OE2 3.69Å; H76-E90 PolarHBondContact CE1-OE2 3.44Å; H76-E90 PolarHBondContact N-O 2.83Å; H76-E90 IonicContact NE2-OE2 3.66Å; H76-E90 PolarHBondContact NE2-OE2 3.1Å; H76-E90 VanDerWaalsContact NE2-OE2 3.12Å; H76-E90 PolarHBondContact O-N 3.33Å; K78-E90 WeakPolarHBondContact CE-OE1 3.48Å; K78-E90 WeakPolarHBondContact CE-OE2 3.4Å; K78-E90 IonicContact NZ-OE1 2.63Å; K78-E90 PolarHBondContact NZ-OE1 3.16Å; K78-E90 IonicContact NZ-OE2 3.62Å; K78-E90 PolarHBondContact NZ-OE2 2.92Å; C88-E90 PolarHBondContact O-N 3.37Å |
| 91 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.2 | 179.4 | -57.9 | 170.3 | 0 | 0 | 0 | 108.1 | N53 I54 L56 V66 V68 V73 W75 L89 P93 V102 I104 | N53-I91 WeakPolarHBondContact CA-O 3.34Å; I54-I91 HydrophobicContact CB-CB 4.21Å; I54-I91 PolarHBondContact N-O 3.02Å; I54-I91 PolarHBondContact O-N 3.39Å; L56-I91 HydrophobicContact CD1-CD1 3.88Å; V66-I91 HydrophobicContact CG1-CD1 3.74Å; V66-I91 HydrophobicContact CG1-CG1 4.02Å; V66-I91 HydrophobicContact CG1-CG2 3.94Å; V68-I91 HydrophobicContact CG2-CG2 3.93Å; V73-I91 HydrophobicContact CG2-CG2 3.75Å; W75-I91 HydrophobicContact CB-CG1 4.23Å; L89-I91 HydrophobicContact CD1-CG1 4.46Å; L89-I91 HydrophobicContact CD2-CD1 4.2Å; L89-I91 HydrophobicContact CD2-CG1 4.44Å; L89-I91 HydrophobicContact CG-CD1 4.28Å; L89-I91 HydrophobicContact CG-CG1 4.03Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; I91-V102 HydrophobicContact CD1-CG1 3.7Å; I91-I104 HydrophobicContact CD1-CD1 4.15Å |
| 92 | I | 95.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 99 | -178.1 | -54.5 | 168.8 | 0 | 0 | 0 | 108 | K74 | K74-I92 HydrophobicContact CB-CB 4.36Å; K74-I92 HydrophobicContact CB-CD1 4.3Å; K74-I92 PolarHBondContact O-N 3.34Å |
| 93 | P | 93.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | trans | -59.5 | 140.3 | 177.1 | -23.5 | 34.7 | 0 | 0 | 0 | 112 | P52 I54 I91 T95 Y100 | P52-P93 WeakPolarHBondContact O-CD 3.49Å; P52-P93 VanDerWaalsContact O-CG 3.27Å; P52-P93 WeakPolarHBondContact O-CG 3.42Å; I54-P93 HydrophobicContact CD1-CG 3.82Å; I54-P93 HydrophobicContact CG1-CG 4.29Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-T95 VanDerWaalsContact C-N 3.26Å; P93-T95 PolarHBondContact O-N 3.38Å; P93-Y100 HydrophobicContact CB-CD1 4.28Å; P93-Y100 HydrophobicContact CB-CE1 3.55Å; P93-Y100 HydrophobicContact CG-CD1 4.41Å; P93-Y100 HydrophobicContact CG-CE1 3.88Å | ||
| 94 | N | 90.6 | Very high | 94.5 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -70.7 | -24.3 | 177.1 | -66.6 | -28.1 | 0 | 0 | 0 | 112.6 | P72 | P72-N94 PolarHBondContact O-ND2 3.46Š|
| 95 | T | 86.7 | Confident | 94.9 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -133.1 | 144.2 | -177.8 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | P93 S97 Y100 | P93-T95 VanDerWaalsContact C-N 3.26Å; P93-T95 PolarHBondContact O-N 3.38Å; T95-S97 PolarHBondContact O-N 2.9Å; T95-Y100 WeakPolarHBondContact O-CE1 3.34Å; T95-Y100 PolarHBondContact O-OH 2.8Å |
| 96 | A | 85.7 | Confident | 95.1 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 83% | 0.826 | 23% | 0.229 | S | C | * | . | trans | -72.1 | 124.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 97 | S | 88 | Confident | 95.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | trans | -142.5 | 158.1 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | T95 R99 Y100 | T95-S97 PolarHBondContact O-N 2.9Å; S97-R99 VanDerWaalsContact C-N 3.35Å; S97-R99 VanDerWaalsContact CB-O 3.3Å; S97-R99 WeakPolarHBondContact CB-O 3.29Å; S97-R99 PolarHBondContact OG-N 2.87Å; S97-R99 VanDerWaalsContact OG-N 3.08Å; S97-R99 PolarHBondContact OG-O 3.22Å; S97-Y100 PolarHBondContact N-OH 2.92Å; S97-Y100 VanDerWaalsContact O-CE2 3.26Å; S97-Y100 WeakPolarHBondContact O-CE2 2.88Å; S97-Y100 PolarHBondContact O-OH 3.4Å | ||
| 98 | N | 90 | Very high | 95.2 | Very high | 89 Ų | 89 | 43.1 Ų | 43.1 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -85.6 | -14.2 | 168.3 | -69.2 | -23.5 | 0 | 0 | 0 | 112 | E43 K44 | E43-N98 WeakPolarHBondContact CA-O 3.5Å; K44-N98 PolarHBondContact N-O 3.32Å |
| 99 | R | 93.9 | Very high | 95.1 | Very high | 152 Ų | 152 | 44.2 Ų | 44.2 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.9 | 178.8 | -67.7 | -175.6 | 177.6 | -174.4 | -8.1 | 111.6 | L42 E43 S97 | L42-R99 CarbonylContact O-C 3.5Å; L42-R99 VanDerWaalsContact O-CA 3.3Å; L42-R99 WeakPolarHBondContact O-CA 3.22Å; E43-R99 HydrophobicContact CG-CG 4.42Å; E43-R99 IonicContact OE1-CZ 3.97Å; E43-R99 VanDerWaalsContact OE1-CZ 3.27Å; E43-R99 IonicContact OE1-NE 3.57Å; E43-R99 PolarHBondContact OE1-NE 3.13Å; E43-R99 IonicContact OE1-NH2 3Å; E43-R99 PolarHBondContact OE1-NH2 3.09Å; E43-R99 IonicContact OE2-NH2 3.01Å; S97-R99 VanDerWaalsContact C-N 3.35Å; S97-R99 VanDerWaalsContact CB-O 3.3Å; S97-R99 WeakPolarHBondContact CB-O 3.29Å; S97-R99 PolarHBondContact OG-N 2.87Å; S97-R99 VanDerWaalsContact OG-N 3.08Å; S97-R99 PolarHBondContact OG-O 3.22Å |
| 100 | Y | 95.4 | Very high | 95 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.7 | -179.4 | -63 | -73.6 | 0 | 0 | 0 | 110.1 | Y16 L42 I54 V68 P93 T95 S97 | Y16-Y100 HydrophobicContact CE1-CD2 4.02Å; Y16-Y100 AromaticContact CE1-CE2 3.78Å; Y16-Y100 HydrophobicContact CE1-CE2 3.78Å; L42-Y100 PolarHBondContact N-O 3.26Å; L42-Y100 PolarHBondContact O-N 3.47Å; I54-Y100 HydrophobicContact CD1-CD2 4Å; I54-Y100 HydrophobicContact CD1-CG 4.02Å; V68-Y100 HydrophobicContact CG1-CD1 3.46Å; V68-Y100 VanDerWaalsContact CG1-CD1 3.46Å; V68-Y100 HydrophobicContact CG1-CE1 4.23Å; V68-Y100 HydrophobicContact CG1-CG 4.25Å; P93-Y100 HydrophobicContact CB-CD1 4.28Å; P93-Y100 HydrophobicContact CB-CE1 3.55Å; P93-Y100 HydrophobicContact CG-CD1 4.41Å; P93-Y100 HydrophobicContact CG-CE1 3.88Å; T95-Y100 WeakPolarHBondContact O-CE1 3.34Å; T95-Y100 PolarHBondContact O-OH 2.8Å; S97-Y100 PolarHBondContact N-OH 2.92Å; S97-Y100 VanDerWaalsContact O-CE2 3.26Å; S97-Y100 WeakPolarHBondContact O-CE2 2.88Å; S97-Y100 PolarHBondContact O-OH 3.4Å |
| 101 | D | 97.2 | Very high | 94.7 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.6 | 160.4 | 174.2 | -49.5 | 0 | 0 | 0 | 106.8 | N39 F41 V68 N69 | N39-D101 VanDerWaalsContact CG-OD1 3.32Å; N39-D101 VanDerWaalsContact ND2-CG 3.28Å; N39-D101 PolarHBondContact ND2-OD1 2.9Å; N39-D101 PolarHBondContact ND2-OD2 3.1Å; N39-D101 VanDerWaalsContact OD1-CG 3.24Å; N39-D101 PolarHBondContact OD1-OD1 3.44Å; F41-D101 HydrophobicContact CE1-CB 4.48Å; V68-D101 CarbonylContact C-O 3.47Å; V68-D101 VanDerWaalsContact CA-O 3.22Å; V68-D101 WeakPolarHBondContact CA-O 3.48Å; N69-D101 PolarHBondContact N-O 3.39Å; N69-D101 PolarHBondContact OD1-N 3.34Å |
| 102 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 100.8 | -178 | -174 | 0 | 0 | 0 | 0 | 109.1 | N39 I40 L42 I54 V66 H67 V68 I91 I104 | N39-V102 WeakPolarHBondContact CA-O 3.28Å; N39-V102 PolarHBondContact OD1-N 2.99Å; N39-V102 PolarHBondContact OD1-O 2.9Å; I40-V102 HydrophobicContact CB-CB 4.35Å; I40-V102 PolarHBondContact N-O 3.43Å; I40-V102 PolarHBondContact O-N 3.4Å; L42-V102 HydrophobicContact CD1-CG2 3.8Å; I54-V102 HydrophobicContact CD1-CG2 3.96Å; V66-V102 HydrophobicContact CG1-CG1 4.18Å; H67-V102 WeakPolarHBondContact O-CA 3.35Å; V68-V102 HydrophobicContact CG2-CG1 4.43Å; V68-V102 HydrophobicContact CG2-CG2 4.22Å; I91-V102 HydrophobicContact CD1-CG1 3.7Å; V102-I104 HydrophobicContact CG1-CD1 4.19Å; V102-I104 HydrophobicContact CG1-CG1 4.06Å |
| 103 | K | 98.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.4 | 174.2 | -175.6 | 178.1 | 176.4 | -178.6 | 0 | 110.9 | V38 V66 H67 | V38-K103 WeakPolarHBondContact O-CA 3.44Å; V66-K103 WeakPolarHBondContact CA-O 3.26Å; H67-K103 PolarHBondContact N-O 3.05Å; H67-K103 PolarHBondContact O-N 2.91Å |
| 104 | I | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122 | 178.5 | -54.1 | 170 | 0 | 0 | 0 | 108.8 | S37 V38 I40 L56 I63 S65 V66 L89 I91 V102 Y106 P145 | S37-I104 CarbonylContact C-O 3.44Å; S37-I104 WeakPolarHBondContact CA-O 3.2Å; S37-I104 WeakPolarHBondContact CB-O 3.28Å; V38-I104 HydrophobicContact CG1-CB 4.18Å; V38-I104 PolarHBondContact N-O 2.81Å; V38-I104 PolarHBondContact O-N 3.33Å; I40-I104 HydrophobicContact CD1-CD1 4.1Å; L56-I104 HydrophobicContact CD1-CD1 3.57Å; I63-I104 HydrophobicContact CD1-CG2 4.22Å; I63-I104 HydrophobicContact CG2-CG2 3.9Å; S65-I104 WeakPolarHBondContact O-CA 3.28Å; V66-I104 HydrophobicContact CG1-CG1 4.22Å; V66-I104 HydrophobicContact CG2-CG1 4.25Å; V66-I104 HydrophobicContact CG2-CG2 4.27Å; L89-I104 HydrophobicContact CD2-CD1 3.89Å; I91-I104 HydrophobicContact CD1-CD1 4.15Å; V102-I104 HydrophobicContact CG1-CD1 4.19Å; V102-I104 HydrophobicContact CG1-CG1 4.06Å; I104-Y106 HydrophobicContact CG2-CD1 4.4Å; I104-P145 HydrophobicContact CD1-CB 3.78Å; I104-P145 HydrophobicContact CD1-CG 4.19Å; I104-P145 HydrophobicContact CG2-CG 3.99Å |
| 105 | D | 98.9 | Very high | 94.8 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.9 | 169.6 | -58.5 | -76.3 | 0 | 0 | 0 | 108.9 | G36 S37 H64 S65 | G36-D105 WeakPolarHBondContact O-CA 3.37Å; S37-D105 WeakPolarHBondContact CB-OD1 3.47Å; H64-D105 HydrophobicContact CB-CB 4.22Å; H64-D105 WeakPolarHBondContact CB-O 3.29Å; H64-D105 PolarHBondContact N-O 3.07Å; S65-D105 PolarHBondContact N-O 3.01Å; S65-D105 PolarHBondContact O-N 3.48Å; S65-D105 PolarHBondContact OG-OD2 3.33Å |
| 106 | Y | 98.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 168.8 | -173.4 | 72.4 | -80.7 | 0 | 0 | 0 | 112.6 | W25 G36 V38 L61 K62 I104 T108 L143 L144 P145 | W25-Y106 AromaticContact NE1-CZ 3.81Å; W25-Y106 PolarHBondContact NE1-OH 3.23Å; G36-Y106 PolarHBondContact N-O 3.03Å; G36-Y106 PolarHBondContact O-N 3.1Å; G36-Y106 VanDerWaalsContact O-O 3.12Å; V38-Y106 HydrophobicContact CB-CE1 4.11Å; V38-Y106 HydrophobicContact CG1-CD1 4.41Å; V38-Y106 HydrophobicContact CG1-CE1 3.86Å; L61-Y106 HydrophobicContact CD1-CD2 4.21Å; L61-Y106 HydrophobicContact CD1-CE2 4.42Å; L61-Y106 HydrophobicContact CD2-CD2 4.16Å; L61-Y106 HydrophobicContact CD2-CE2 4.31Å; K62-Y106 VanDerWaalsContact O-CA 3.23Å; K62-Y106 WeakPolarHBondContact O-CA 3.46Å; K62-Y106 WeakPolarHBondContact O-CB 3.43Å; I104-Y106 HydrophobicContact CG2-CD1 4.4Å; Y106-T108 HydrophobicContact CE2-CG2 4.38Å; Y106-L143 WeakPolarHBondContact CE2-O 3.27Å; Y106-L143 PolarHBondContact OH-O 3.29Å; Y106-L144 HydrophobicContact CE1-CB 4.48Å; Y106-L144 HydrophobicContact CE2-CB 4.42Å; Y106-L144 WeakPolarHBondContact OH-CA 3.44Å; Y106-L144 WeakPolarHBondContact OH-CB 3.44Å; Y106-P145 HydrophobicContact CD1-CG 4.22Å; Y106-P145 HydrophobicContact CG-CG 4.28Å |
| 107 | E | 98.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 38.6 Ų | 38.6 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.7 | 167 | 61.6 | -173.6 | 171.8 | 0 | 0 | 110.9 | I34 K62 H64 | I34-E107 WeakPolarHBondContact O-CA 3.32Å; K62-E107 HydrophobicContact CB-CG 3.88Å; K62-E107 HydrophobicContact CD-CG 3.95Å; K62-E107 WeakPolarHBondContact CD-OE1 3.17Å; K62-E107 WeakPolarHBondContact CE-OE1 3.39Å; K62-E107 PolarHBondContact N-O 3.34Å; K62-E107 IonicContact NZ-OE1 3.54Å; K62-E107 PolarHBondContact NZ-OE1 3.08Å; K62-E107 PolarHBondContact O-N 3.22Å; H64-E107 IonicContact CE1-OE1 2.78Å; H64-E107 IonicContact NE2-OE1 3.49Å |
| 108 | T | 98.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 162.3 | 171 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | T33 I34 L61 Y106 L115 | T33-T108 WeakPolarHBondContact CB-O 3.47Å; T33-T108 WeakPolarHBondContact CG2-O 3.49Å; I34-T108 HydrophobicContact CB-CG2 4.14Å; I34-T108 PolarHBondContact N-OG1 3.29Å; I34-T108 PolarHBondContact O-N 2.93Å; L61-T108 HydrophobicContact CD2-CG2 3.93Å; Y106-T108 HydrophobicContact CE2-CG2 4.38Å; T108-L115 HydrophobicContact CG2-CD1 3.97Å |
| 109 | S | 96.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | trans | -92.3 | 155.9 | 169.6 | -178 | 0 | 0 | 0 | 0 | 111.5 | D60 D111 S112 | D60-S109 WeakPolarHBondContact O-CB 3.45Å; D60-S109 PolarHBondContact O-N 3.21Å; S109-D111 PolarHBondContact O-N 3.15Å; S109-D111 PolarHBondContact OG-N 3.37Å; S109-D111 VanDerWaalsContact OG-N 3.12Å; S109-D111 PolarHBondContact OG-OD2 2.95Å; S109-S112 WeakPolarHBondContact O-CB 3.27Å; S109-S112 PolarHBondContact O-N 3.4Å | ||
| 110 | P | 95 | Very high | 95.9 | Very high | 62 Ų | 62 | 29 Ų | 29 | 40% | 0.403 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26.6 | 160.3 | -25.7 | 35.1 | 0 | 0 | 0 | 113.4 | T31 Q32 T33 S112 | T31-P110 WeakPolarHBondContact O-CG 3.46Å; Q32-P110 HydrophobicContact CB-CB 4.17Å; Q32-P110 HydrophobicContact CB-CG 4.4Å; T33-P110 HydrophobicContact CG2-CG 4.46Å; P110-S112 VanDerWaalsContact C-N 3.26Å; P110-S112 PolarHBondContact O-N 3.19Å |
| 111 | D | 92 | Very high | 95.5 | Very high | 117 Ų | 117 | 33.7 Ų | 33.7 | 63% | 0.626 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.6 | 177.2 | -55.3 | -53.5 | 0 | 0 | 0 | 113.4 | S109 S113 | S109-D111 PolarHBondContact O-N 3.15Å; S109-D111 PolarHBondContact OG-N 3.37Å; S109-D111 VanDerWaalsContact OG-N 3.12Å; S109-D111 PolarHBondContact OG-OD2 2.95Å; D111-S113 PolarHBondContact O-N 3.21Å; D111-S113 VanDerWaalsContact O-N 3.09Å |
| 112 | S | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | trans | -56.8 | 116.8 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | S109 P110 A114 L115 S142 | S109-S112 WeakPolarHBondContact O-CB 3.27Å; S109-S112 PolarHBondContact O-N 3.4Å; P110-S112 VanDerWaalsContact C-N 3.26Å; P110-S112 PolarHBondContact O-N 3.19Å; S112-A114 PolarHBondContact O-N 2.86Å; S112-A114 PolarHBondContact OG-N 3Å; S112-L115 PolarHBondContact O-N 3.36Å; S112-L115 VanDerWaalsContact O-N 3.12Å; S112-S142 PolarHBondContact OG-O 3.47Å; S112-S142 PolarHBondContact OG-OG 2.98Å | ||
| 113 | S | 93.3 | Very high | 95 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.4 | 178.4 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | D111 Q116 H139 S142 | D111-S113 PolarHBondContact O-N 3.21Å; D111-S113 VanDerWaalsContact O-N 3.09Å; S113-Q116 PolarHBondContact O-NE2 3.3Å; S113-H139 WeakPolarHBondContact CB-ND1 3.38Å; S113-H139 PolarHBondContact OG-ND1 3.19Å; S113-S142 PolarHBondContact N-OG 2.98Å; S113-S142 PolarHBondContact OG-OG 3.43Å |
| 114 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S112 S133 Q134 H139 S142 L143 | S112-A114 PolarHBondContact O-N 2.86Å; S112-A114 PolarHBondContact OG-N 3Å; A114-S133 CarbonylContact O-C 3.52Å; A114-S133 WeakPolarHBondContact O-CA 3.25Å; A114-Q134 WeakPolarHBondContact CA-O 3.38Å; A114-Q134 PolarHBondContact O-N 3.14Å; A114-H139 HydrophobicContact CB-CB 3.98Å; A114-H139 VanDerWaalsContact CB-O 3.23Å; A114-H139 WeakPolarHBondContact CB-O 3.47Å; A114-S142 VanDerWaalsContact CB-OG 3.28Å; A114-S142 WeakPolarHBondContact CB-OG 3.47Å; A114-S142 PolarHBondContact N-OG 2.93Å; A114-L143 HydrophobicContact CB-CB 3.87Å |
| 115 | L | 96 | Very high | 94.5 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.1 | -170.5 | -68.1 | 177.3 | 0 | 0 | 0 | 111.7 | I34 T108 S112 W117 M131 L143 | I34-L115 HydrophobicContact CB-CD1 4.44Å; I34-L115 HydrophobicContact CD1-CD1 3.77Å; I34-L115 HydrophobicContact CD1-CD2 3.91Å; I34-L115 HydrophobicContact CG1-CD1 3.83Å; T108-L115 HydrophobicContact CG2-CD1 3.97Å; S112-L115 PolarHBondContact O-N 3.36Å; S112-L115 VanDerWaalsContact O-N 3.12Å; L115-W117 HydrophobicContact CD1-CZ2 4.13Å; L115-M131 HydrophobicContact CD2-SD 3.73Å; L115-L143 HydrophobicContact CD1-CD1 4.08Å; L115-L143 HydrophobicContact CD2-CD1 3.77Å; L115-L143 HydrophobicContact CG-CD1 4.05Å |
| 116 | Q | 93.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.5 | 176.3 | -72.2 | 70.6 | 56.7 | 0 | 0 | 109.4 | S113 M131 F132 H597 | S113-Q116 PolarHBondContact O-NE2 3.3Å; Q116-M131 VanDerWaalsContact O-CA 3.26Å; Q116-M131 WeakPolarHBondContact O-CA 3.48Å; Q116-F132 HydrophobicContact CB-CD1 3.98Å; Q116-F132 HydrophobicContact CB-CD2 4.27Å; Q116-F132 HydrophobicContact CB-CE1 3.55Å; Q116-F132 HydrophobicContact CB-CE2 3.86Å; Q116-F132 HydrophobicContact CB-CG 4.33Å; Q116-F132 HydrophobicContact CB-CZ 3.48Å; Q116-F132 VanDerWaalsContact CB-CZ 3.48Å; Q116-F132 HydrophobicContact CG-CE1 4.23Å; Q116-F132 HydrophobicContact CG-CE2 3.8Å; Q116-F132 HydrophobicContact CG-CZ 3.63Å; Q116-F132 PolarHBondContact N-O 3.41Å; Q116-F132 PolarHBondContact O-N 3.3Å; Q116-F132 VanDerWaalsContact OE1-CE2 3.27Å; Q116-F132 PolarHBondContact OE1-O 2.93Å; Q116-H597 WeakPolarHBondContact CG-NE2 3.21Å |
| 117 | W | 94.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112 | 176.8 | -60.7 | 92.7 | 0 | 0 | 0 | 110.4 | I27 F29 Q32 T33 I34 L115 M131 | I27-W117 HydrophobicContact CG2-CH2 3.8Å; I27-W117 HydrophobicContact CG2-CZ3 3.9Å; F29-W117 AromaticContact CD1-CE3 3.82Å; F29-W117 HydrophobicContact CD1-CE3 3.82Å; F29-W117 AromaticContact CD1-CZ3 3.82Å; F29-W117 HydrophobicContact CD1-CZ3 3.82Å; F29-W117 HydrophobicContact CE1-CE3 4.18Å; F29-W117 HydrophobicContact CE1-CZ3 4.17Å; F29-W117 HydrophobicContact CG-CE3 4.47Å; F29-W117 HydrophobicContact CG-CZ3 4.1Å; Q32-W117 HydrophobicContact CB-CB 4.24Å; Q32-W117 HydrophobicContact CB-CD2 3.78Å; Q32-W117 HydrophobicContact CB-CE3 4.37Å; Q32-W117 HydrophobicContact CB-CG 3.69Å; Q32-W117 HydrophobicContact CG-CB 3.88Å; Q32-W117 HydrophobicContact CG-CD2 4.07Å; Q32-W117 HydrophobicContact CG-CE3 4.38Å; Q32-W117 HydrophobicContact CG-CG 3.86Å; Q32-W117 VanDerWaalsContact O-CE2 3.29Å; Q32-W117 WeakPolarHBondContact O-CZ2 3.35Å; Q32-W117 PolarHBondContact O-NE1 3.02Å; Q32-W117 VanDerWaalsContact O-NE1 3.09Å; T33-W117 VanDerWaalsContact N-CZ2 3.31Å; T33-W117 WeakPolarHBondContact O-CH2 3.4Å; I34-W117 HydrophobicContact CG1-CH2 4.29Å; I34-W117 HydrophobicContact CG1-CZ2 4.12Å; L115-W117 HydrophobicContact CD1-CZ2 4.13Å; W117-M131 HydrophobicContact CD2-CB 4.3Å; W117-M131 HydrophobicContact CD2-CG 3.85Å; W117-M131 HydrophobicContact CE3-CB 3.78Å; W117-M131 HydrophobicContact CE3-CG 3.76Å; W117-M131 HydrophobicContact CH2-CG 4.07Å; W117-M131 HydrophobicContact CZ2-CG 4.13Å; W117-M131 HydrophobicContact CZ3-CB 3.96Å; W117-M131 HydrophobicContact CZ3-CG 3.87Å |
| 118 | L | 93.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.6 | -179.3 | -57.7 | -176.8 | 0 | 0 | 0 | 110.2 | L122 P129 F130 F132 P261 | L118-L122 HydrophobicContact CB-CB 4.07Å; L118-L122 HydrophobicContact CB-CD1 4.39Å; L118-L122 HydrophobicContact CD2-CB 4.25Å; L118-L122 HydrophobicContact CD2-CD1 3.8Å; L118-P129 VanDerWaalsContact O-CA 3.26Å; L118-P129 WeakPolarHBondContact O-CA 3.38Å; L118-P129 WeakPolarHBondContact O-CB 3.31Å; L118-F130 WeakPolarHBondContact CA-O 3.45Å; L118-F130 HydrophobicContact CB-CB 4.15Å; L118-F130 WeakPolarHBondContact CB-O 3.28Å; L118-F130 HydrophobicContact CD1-CB 4.38Å; L118-F130 PolarHBondContact N-O 3.43Å; L118-F130 PolarHBondContact O-N 2.99Å; L118-F132 HydrophobicContact CD1-CD1 4.5Å; L118-F132 HydrophobicContact CD1-CE1 3.97Å; L118-F132 HydrophobicContact CG-CE1 4.42Å; L118-P261 HydrophobicContact CD1-CB 3.71Å; L118-P261 HydrophobicContact CD1-CG 3.68Å |
| 119 | G | 92 | Very high | 93.6 | Very high | 19 Ų | 19 | 47 Ų | 47 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | trans | -63.8 | 159.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q121 L122 | G119-Q121 VanDerWaalsContact C-OE1 3.27Å; G119-Q121 PolarHBondContact O-N 3.49Å; G119-Q121 VanDerWaalsContact O-N 3.09Å; G119-L122 WeakPolarHBondContact O-CB 3.4Å; G119-L122 PolarHBondContact O-N 3.34Å | ||
| 120 | P | 92.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -51.2 | -38.8 | -178.7 | -26.3 | 33.4 | 0 | 0 | 0 | 113.3 | L122 T123 R126 Q128 | P120-L122 PolarHBondContact O-N 3.48Å; P120-T123 PolarHBondContact O-N 3.43Å; P120-T123 PolarHBondContact O-OG1 3.22Å; P120-R126 VanDerWaalsContact O-CA 3.25Å; P120-R126 WeakPolarHBondContact O-CA 3.39Å; P120-Q128 WeakPolarHBondContact CA-O 3.31Å |
| 121 | Q | 88.9 | Confident | 93.8 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -60 | -18.2 | 179.8 | 73.3 | -74.4 | -0.7 | 0 | 0 | 115.2 | G119 F595 | G119-Q121 VanDerWaalsContact C-OE1 3.27Å; G119-Q121 PolarHBondContact O-N 3.49Å; G119-Q121 VanDerWaalsContact O-N 3.09Å; Q121-F595 HydrophobicContact CG-CD1 4.4Å; Q121-F595 HydrophobicContact CG-CE1 4.07Å |
| 122 | L | 90 | Very high | 94 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -94.9 | -7.1 | 179.6 | -57.5 | 179.6 | 0 | 0 | 0 | 113.1 | L118 G119 P120 T263 F595 | L118-L122 HydrophobicContact CB-CB 4.07Å; L118-L122 HydrophobicContact CB-CD1 4.39Å; L118-L122 HydrophobicContact CD2-CB 4.25Å; L118-L122 HydrophobicContact CD2-CD1 3.8Å; G119-L122 WeakPolarHBondContact O-CB 3.4Å; G119-L122 PolarHBondContact O-N 3.34Å; P120-L122 PolarHBondContact O-N 3.48Å; L122-T263 HydrophobicContact CB-CG2 4.26Å; L122-T263 HydrophobicContact CD2-CG2 4.32Å; L122-F595 VanDerWaalsContact CD2-CA 3.49Å; L122-F595 HydrophobicContact CD2-CB 3.94Å; L122-F595 HydrophobicContact CD2-CD1 3.71Å; L122-F595 HydrophobicContact CD2-CG 4.26Å |
| 123 | T | 93.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -87.3 | 154.7 | 175.8 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | P120 D125 R126 Q128 F130 E222 | P120-T123 PolarHBondContact O-N 3.43Å; P120-T123 PolarHBondContact O-OG1 3.22Å; T123-D125 VanDerWaalsContact C-N 3.32Å; T123-D125 PolarHBondContact O-N 2.96Å; T123-R126 WeakPolarHBondContact O-CG 3.31Å; T123-R126 PolarHBondContact O-N 2.87Å; T123-R126 PolarHBondContact OG1-N 3.07Å; T123-Q128 VanDerWaalsContact CG2-O 3.26Å; T123-Q128 WeakPolarHBondContact CG2-O 3.18Å; T123-Q128 PolarHBondContact OG1-O 3.27Å; T123-F130 HydrophobicContact CG2-CB 3.7Å; T123-E222 VanDerWaalsContact CB-OE2 3.28Å; T123-E222 WeakPolarHBondContact CB-OE2 3.39Å |
| 124 | A | 92.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 36.2 Ų | 36.2 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -61.5 | -40.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | E222 I225 P262 | A124-E222 VanDerWaalsContact CB-OE1 3.29Å; A124-E222 WeakPolarHBondContact CB-OE1 3.29Å; A124-E222 PolarHBondContact N-OE1 3.3Å; A124-E222 PolarHBondContact N-OE2 3.25Å; A124-I225 HydrophobicContact CB-CD1 4.11Å; A124-I225 HydrophobicContact CB-CG1 3.84Å; A124-P262 HydrophobicContact CB-CG 4.48Å |
| 125 | D | 95.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -81.4 | -20.5 | -179.4 | -79.1 | 11 | 0 | 0 | 0 | 113 | T123 R127 E222 P223 S224 | T123-D125 VanDerWaalsContact C-N 3.32Å; T123-D125 PolarHBondContact O-N 2.96Å; D125-R127 HydrophobicContact CB-CB 4.47Å; D125-R127 HydrophobicContact CB-CG 4.25Å; D125-R127 WeakPolarHBondContact O-CG 3.12Å; D125-R127 PolarHBondContact O-N 3.2Å; D125-R127 IonicContact OD2-CZ 3.72Å; D125-R127 IonicContact OD2-NE 3.31Å; D125-R127 PolarHBondContact OD2-NE 3.24Å; D125-R127 IonicContact OD2-NH2 3.43Å; D125-R127 PolarHBondContact OD2-NH2 2.91Å; D125-E222 WeakPolarHBondContact CB-OE2 3.29Å; D125-E222 PolarHBondContact N-OE2 3.34Å; D125-P223 WeakPolarHBondContact OD2-CD 3.22Å; D125-S224 WeakPolarHBondContact OD1-CB 3.46Å; D125-S224 PolarHBondContact OD1-N 3.1Å; D125-S224 PolarHBondContact OD1-OG 2.87Å |
| 126 | R | 92.6 | Very high | 94.3 | Very high | 192 Ų | 192 | 37 Ų | 37 | 73% | 0.725 | 18% | 0.179 | S | C | * | . | S | Bend | trans | 59.7 | 25.9 | -177 | -53.6 | -178.6 | -179.8 | -165.6 | -1.9 | 115.2 | P120 T123 | P120-R126 VanDerWaalsContact O-CA 3.25Å; P120-R126 WeakPolarHBondContact O-CA 3.39Å; T123-R126 WeakPolarHBondContact O-CG 3.31Å; T123-R126 PolarHBondContact O-N 2.87Å; T123-R126 PolarHBondContact OG1-N 3.07Å |
| 127 | R | 92.3 | Very high | 94.3 | Very high | 134 Ų | 134 | 36.3 Ų | 36.3 | 51% | 0.506 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -104.6 | -48.9 | -174.1 | -67.7 | -173.7 | -62.7 | 115.9 | 5.3 | 114.1 | D125 D207 | D125-R127 HydrophobicContact CB-CB 4.47Å; D125-R127 HydrophobicContact CB-CG 4.25Å; D125-R127 WeakPolarHBondContact O-CG 3.12Å; D125-R127 PolarHBondContact O-N 3.2Å; D125-R127 IonicContact OD2-CZ 3.72Å; D125-R127 IonicContact OD2-NE 3.31Å; D125-R127 PolarHBondContact OD2-NE 3.24Å; D125-R127 IonicContact OD2-NH2 3.43Å; D125-R127 PolarHBondContact OD2-NH2 2.91Å; R127-D207 IonicContact CZ-OD2 3.19Å; R127-D207 IonicContact NH1-OD2 3.48Å; R127-D207 PolarHBondContact NH1-OD2 3.21Å; R127-D207 IonicContact NH2-OD1 2.68Å; R127-D207 IonicContact NH2-OD2 3.16Å; R127-D207 PolarHBondContact NH2-OD2 2.77Å |
| 128 | Q | 95 | Very high | 94.4 | Very high | 46 Ų | 46 | 35 Ų | 35 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -126.9 | 154.7 | -174.3 | -64.8 | -158.6 | 69.7 | 0 | 0 | 110.4 | P120 T123 E165 D207 | P120-Q128 WeakPolarHBondContact CA-O 3.31Å; T123-Q128 VanDerWaalsContact CG2-O 3.26Å; T123-Q128 WeakPolarHBondContact CG2-O 3.18Å; T123-Q128 PolarHBondContact OG1-O 3.27Å; Q128-E165 PolarHBondContact NE2-O 2.89Å; Q128-E165 PolarHBondContact OE1-O 3.47Å; Q128-D207 HydrophobicContact CB-CB 4.05Å; Q128-D207 HydrophobicContact CG-CB 4.17Å; Q128-D207 PolarHBondContact NE2-OD2 3.47Å |
| 129 | P | 96.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 24% | 0.24 | 17% | 0.172 | C | C | . | . | trans | -67.8 | 162.1 | 171.2 | 32.5 | -36.6 | 0 | 0 | 0 | 110.8 | F29 L118 | F29-P129 HydrophobicContact CB-CG 4.38Å; F29-P129 HydrophobicContact CD1-CB 3.61Å; F29-P129 HydrophobicContact CD1-CG 3.68Å; F29-P129 HydrophobicContact CE1-CB 3.86Å; F29-P129 HydrophobicContact CE1-CG 3.99Å; F29-P129 HydrophobicContact CG-CB 4.35Å; F29-P129 HydrophobicContact CG-CG 3.95Å; L118-P129 VanDerWaalsContact O-CA 3.26Å; L118-P129 WeakPolarHBondContact O-CA 3.38Å; L118-P129 WeakPolarHBondContact O-CB 3.31Å | ||
| 130 | F | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.3 | 179.5 | -161.3 | -81.7 | 0 | 0 | 0 | 109.9 | L118 T123 F132 A204 C205 L208 L258 L260 P261 | L118-F130 WeakPolarHBondContact CA-O 3.45Å; L118-F130 HydrophobicContact CB-CB 4.15Å; L118-F130 WeakPolarHBondContact CB-O 3.28Å; L118-F130 HydrophobicContact CD1-CB 4.38Å; L118-F130 PolarHBondContact N-O 3.43Å; L118-F130 PolarHBondContact O-N 2.99Å; T123-F130 HydrophobicContact CG2-CB 3.7Å; F130-F132 HydrophobicContact CD1-CD1 4Å; F130-F132 HydrophobicContact CE1-CB 4.09Å; F130-F132 HydrophobicContact CE1-CD1 4.04Å; F130-F132 HydrophobicContact CE1-CG 4.5Å; F130-A204 HydrophobicContact CE1-CB 4.29Å; F130-A204 HydrophobicContact CZ-CB 4.35Å; F130-C205 CarbonylContact C-O 3.57Å; F130-C205 WeakPolarHBondContact CA-O 3.49Å; F130-L208 HydrophobicContact CE2-CD1 4.36Å; F130-L208 HydrophobicContact CE2-CD2 3.59Å; F130-L208 HydrophobicContact CE2-CG 4Å; F130-L208 HydrophobicContact CZ-CD1 4.47Å; F130-L208 HydrophobicContact CZ-CD2 4.03Å; F130-L258 HydrophobicContact CZ-CD1 4.45Å; F130-L258 HydrophobicContact CZ-CD2 4.37Å; F130-L260 HydrophobicContact CE1-CD2 3.79Å; F130-L260 HydrophobicContact CZ-CD2 4.21Å; F130-P261 HydrophobicContact CB-CG 4.32Å; F130-P261 HydrophobicContact CD1-CG 3.94Å; F130-P261 HydrophobicContact CD2-CG 4.21Å; F130-P261 HydrophobicContact CE1-CG 4.27Å; F130-P261 HydrophobicContact CG-CG 3.91Å |
| 131 | M | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.3 | 172.7 | 178.5 | -80.6 | -70.1 | 0 | 0 | 109.5 | I27 F29 I34 L115 Q116 W117 A204 C205 | I27-M131 HydrophobicContact CD1-CE 3.48Å; I27-M131 VanDerWaalsContact CD1-CE 3.48Å; I27-M131 HydrophobicContact CG1-CE 3.86Å; I27-M131 HydrophobicContact CG2-CE 3.99Å; F29-M131 HydrophobicContact CE1-CB 3.81Å; F29-M131 HydrophobicContact CZ-CB 4.12Å; I34-M131 HydrophobicContact CD1-CE 3.86Å; L115-M131 HydrophobicContact CD2-SD 3.73Å; Q116-M131 VanDerWaalsContact O-CA 3.26Å; Q116-M131 WeakPolarHBondContact O-CA 3.48Å; W117-M131 HydrophobicContact CD2-CB 4.3Å; W117-M131 HydrophobicContact CD2-CG 3.85Å; W117-M131 HydrophobicContact CE3-CB 3.78Å; W117-M131 HydrophobicContact CE3-CG 3.76Å; W117-M131 HydrophobicContact CH2-CG 4.07Å; W117-M131 HydrophobicContact CZ2-CG 4.13Å; W117-M131 HydrophobicContact CZ3-CB 3.96Å; W117-M131 HydrophobicContact CZ3-CG 3.87Å; M131-A204 CarbonylContact O-C 3.5Å; M131-A204 VanDerWaalsContact O-CA 3.24Å; M131-A204 WeakPolarHBondContact O-CA 3.45Å; M131-C205 HydrophobicContact CE-CB 3.97Å; M131-C205 PolarHBondContact N-O 3.42Å; M131-C205 PolarHBondContact O-N 3.42Å |
| 132 | F | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164 | 168.2 | 64.8 | -85.2 | 0 | 0 | 0 | 111 | Q116 L118 F130 I203 A204 L260 F264 F276 | Q116-F132 HydrophobicContact CB-CD1 3.98Å; Q116-F132 HydrophobicContact CB-CD2 4.27Å; Q116-F132 HydrophobicContact CB-CE1 3.55Å; Q116-F132 HydrophobicContact CB-CE2 3.86Å; Q116-F132 HydrophobicContact CB-CG 4.33Å; Q116-F132 HydrophobicContact CB-CZ 3.48Å; Q116-F132 VanDerWaalsContact CB-CZ 3.48Å; Q116-F132 HydrophobicContact CG-CE1 4.23Å; Q116-F132 HydrophobicContact CG-CE2 3.8Å; Q116-F132 HydrophobicContact CG-CZ 3.63Å; Q116-F132 PolarHBondContact N-O 3.41Å; Q116-F132 PolarHBondContact O-N 3.3Å; Q116-F132 VanDerWaalsContact OE1-CE2 3.27Å; Q116-F132 PolarHBondContact OE1-O 2.93Å; L118-F132 HydrophobicContact CD1-CD1 4.5Å; L118-F132 HydrophobicContact CD1-CE1 3.97Å; L118-F132 HydrophobicContact CG-CE1 4.42Å; F130-F132 HydrophobicContact CD1-CD1 4Å; F130-F132 HydrophobicContact CE1-CB 4.09Å; F130-F132 HydrophobicContact CE1-CD1 4.04Å; F130-F132 HydrophobicContact CE1-CG 4.5Å; F132-I203 CarbonylContact C-O 3.54Å; F132-I203 VanDerWaalsContact CA-O 3.3Å; F132-I203 WeakPolarHBondContact CA-O 3.48Å; F132-A204 HydrophobicContact CB-CB 4.01Å; F132-L260 HydrophobicContact CB-CD2 3.89Å; F132-L260 HydrophobicContact CD1-CD2 3.88Å; F132-L260 HydrophobicContact CD2-CD1 4.01Å; F132-L260 HydrophobicContact CD2-CD2 4.25Å; F132-L260 HydrophobicContact CE1-CD2 4.5Å; F132-L260 HydrophobicContact CE2-CD1 4.11Å; F132-L260 HydrophobicContact CG-CD1 4.33Å; F132-L260 HydrophobicContact CG-CD2 3.74Å; F132-L260 HydrophobicContact CZ-CD1 4.49Å; F132-F264 AromaticContact CE2-CD2 3.76Å; F132-F264 HydrophobicContact CE2-CD2 3.76Å; F132-F264 AromaticContact CE2-CE2 3.97Å; F132-F264 HydrophobicContact CE2-CE2 3.97Å; F132-F264 AromaticContact CZ-CD2 3.89Å; F132-F264 HydrophobicContact CZ-CD2 3.89Å; F132-F276 HydrophobicContact CB-CE2 4.03Å; F132-F276 HydrophobicContact CB-CZ 4.42Å; F132-F276 HydrophobicContact CD2-CD2 4.48Å; F132-F276 HydrophobicContact CD2-CE2 4.26Å |
| 133 | S | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.5 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | A114 A202 I203 F276 | A114-S133 CarbonylContact O-C 3.52Å; A114-S133 WeakPolarHBondContact O-CA 3.25Å; S133-A202 WeakPolarHBondContact OG-CA 3.28Å; S133-I203 PolarHBondContact N-O 2.93Å; S133-I203 PolarHBondContact OG-N 3.47Å; S133-I203 PolarHBondContact OG-O 3.15Å; S133-F276 VanDerWaalsContact O-CE2 3.24Å; S133-F276 WeakPolarHBondContact O-CE2 3.48Å |
| 134 | Q | 95.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 3% | 0.033 | 12% | 0.117 | C | C | . | . | trans | -127.5 | 103.4 | 163.1 | 179.1 | 68.2 | 23.4 | 0 | 0 | 108.8 | A114 H139 Y266 M269 | A114-Q134 WeakPolarHBondContact CA-O 3.38Å; A114-Q134 PolarHBondContact O-N 3.14Å; Q134-H139 WeakPolarHBondContact O-CB 3.25Å; Q134-Y266 HydrophobicContact CG-CD2 4.36Å; Q134-Y266 HydrophobicContact CG-CE2 3.64Å; Q134-M269 PolarHBondContact NE2-SD 3.15Å | ||
| 135 | C | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | trans | -97.6 | -19.9 | -171.8 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | A137 H139 A140 Y199 I201 | C135-A137 CarbonylContact O-C 3.2Å; C135-H139 PolarHBondContact O-N 3.43Å; C135-A140 HydrophobicContact CB-CB 4.03Å; C135-A140 PolarHBondContact O-N 3.15Å; C135-Y199 WeakPolarHBondContact CB-O 3.5Å; C135-I201 PolarHBondContact SG-O 2.97Å | ||
| 136 | Q | 96.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 22.3 Ų | 22.3 | 11% | 0.112 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 133.1 | 175.7 | -167.3 | -174.4 | 58.6 | 0 | 0 | 111.4 | H139 Y199 M269 E270 W310 | Q136-H139 PolarHBondContact O-CD2 3.16Å; Q136-Y199 HydrophobicContact CB-CD2 3.74Å; Q136-Y199 HydrophobicContact CB-CE2 4.4Å; Q136-Y199 HydrophobicContact CG-CD2 3.84Å; Q136-Y199 HydrophobicContact CG-CE2 4.16Å; Q136-M269 HydrophobicContact CB-CE 3.61Å; Q136-M269 HydrophobicContact CB-SD 3.82Å; Q136-M269 HydrophobicContact CG-CE 4.27Å; Q136-E270 PolarHBondContact NE2-OE1 3.41Å; Q136-W310 HydrophobicContact CG-CH2 3.78Å; Q136-W310 HydrophobicContact CG-CZ3 3.92Å |
| 137 | A | 94.1 | Very high | 97 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 6% | 0.058 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | -47.1 | 3.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C135 W310 P373 | C135-A137 CarbonylContact O-C 3.2Å; A137-W310 HydrophobicContact CB-CD2 3.7Å; A137-W310 HydrophobicContact CB-CE3 3.85Å; A137-W310 HydrophobicContact CB-CG 4.34Å; A137-W310 HydrophobicContact CB-CH2 4.06Å; A137-W310 HydrophobicContact CB-CZ2 3.92Å; A137-W310 HydrophobicContact CB-CZ3 4.01Å; A137-W310 WeakPolarHBondContact O-CZ2 3.46Å; A137-P373 HydrophobicContact CB-CB 3.74Å; A137-P373 HydrophobicContact CB-CG 4.46Å |
| 138 | I | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 38.6 | -171.7 | 55.2 | 161.3 | 0 | 0 | 0 | 112.2 | F85 R141 W310 P373 | F85-I138 HydrophobicContact CD1-CD1 3.81Å; F85-I138 HydrophobicContact CE1-CD1 4.2Å; I138-R141 VanDerWaalsContact O-CD 3.26Å; I138-R141 WeakPolarHBondContact O-CD 3.41Å; I138-R141 VanDerWaalsContact O-CG 3.29Å; I138-R141 WeakPolarHBondContact O-CG 3.41Å; I138-R141 PolarHBondContact O-NE 3.44Å; I138-R141 VanDerWaalsContact O-NE 3.12Å; I138-W310 VanDerWaalsContact CG2-NE1 3.34Å; I138-P373 HydrophobicContact CD1-CG 4.21Å; I138-P373 HydrophobicContact CG1-CG 4.3Å; I138-P373 HydrophobicContact CG2-CG 4.18Å |
| 139 | H | 97 | Very high | 97.3 | Very high | 14 Ų | 14 | 4.9 Ų | 4.9 | 7% | 0.065 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -16.6 | -176.4 | -61.3 | -64.5 | 0 | 0 | 0 | 113.3 | S113 A114 Q134 C135 Q136 R141 S142 D374 | S113-H139 WeakPolarHBondContact CB-ND1 3.38Å; S113-H139 PolarHBondContact OG-ND1 3.19Å; A114-H139 HydrophobicContact CB-CB 3.98Å; A114-H139 VanDerWaalsContact CB-O 3.23Å; A114-H139 WeakPolarHBondContact CB-O 3.47Å; Q134-H139 WeakPolarHBondContact O-CB 3.25Å; C135-H139 PolarHBondContact O-N 3.43Å; Q136-H139 PolarHBondContact O-CD2 3.16Å; H139-R141 PolarHBondContact O-N 2.91Å; H139-R141 VanDerWaalsContact O-N 3.1Å; H139-S142 WeakPolarHBondContact O-CA 3.26Å; H139-S142 WeakPolarHBondContact O-CB 3.37Å; H139-S142 PolarHBondContact O-N 3.49Å; H139-S142 PolarHBondContact O-OG 2.82Å; H139-D374 IonicContact CE1-OD2 2.75Å; H139-D374 IonicContact NE2-OD1 3.12Å; H139-D374 IonicContact NE2-OD2 3.58Å; H139-D374 PolarHBondContact NE2-OD2 3.37Å |
| 140 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.016 | C | C | . | . | G | 310 helix | trans | -56.4 | -33 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C135 S142 L143 L144 D148 S198 | C135-A140 HydrophobicContact CB-CB 4.03Å; C135-A140 PolarHBondContact O-N 3.15Å; A140-S142 PolarHBondContact O-N 2.86Å; A140-L143 WeakPolarHBondContact O-CA 3.45Å; A140-L143 WeakPolarHBondContact O-CB 3.36Å; A140-L143 PolarHBondContact O-N 3.4Å; A140-L144 HydrophobicContact CB-CD2 4.39Å; A140-L144 WeakPolarHBondContact O-CD2 3.46Å; A140-L144 PolarHBondContact O-N 2.8Å; A140-D148 VanDerWaalsContact CB-OD1 3.32Å; A140-D148 WeakPolarHBondContact CB-OD1 3.15Å; A140-D148 PolarHBondContact N-OD2 2.99Å; A140-S198 WeakPolarHBondContact CB-O 3.31Å |
| 141 | R | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -57 | -15.6 | 171.1 | 68.3 | -170.4 | 67.3 | -175.4 | 1.5 | 115.8 | S8 D57 T58 R59 L61 F85 I138 H139 L144 D148 | S8-R141 VanDerWaalsContact O-CZ 3.28Å; S8-R141 PolarHBondContact O-NH1 3.44Å; S8-R141 PolarHBondContact O-NH2 3.16Å; D57-R141 HydrophobicContact CB-CB 3.72Å; D57-R141 IonicContact OD1-NH1 3.45Å; T58-R141 CarbonylContact C-O 3.57Å; T58-R141 WeakPolarHBondContact CA-O 3.34Å; R59-R141 HydrophobicContact CB-CG 3.86Å; R59-R141 PolarHBondContact N-O 3.41Å; L61-R141 VanDerWaalsContact CD1-O 3.31Å; L61-R141 WeakPolarHBondContact CD1-O 3.2Å; F85-R141 PolarHBondContact O-NH1 3.48Å; F85-R141 VanDerWaalsContact O-NH1 3.17Å; I138-R141 VanDerWaalsContact O-CD 3.26Å; I138-R141 WeakPolarHBondContact O-CD 3.41Å; I138-R141 VanDerWaalsContact O-CG 3.29Å; I138-R141 WeakPolarHBondContact O-CG 3.41Å; I138-R141 PolarHBondContact O-NE 3.44Å; I138-R141 VanDerWaalsContact O-NE 3.12Å; H139-R141 PolarHBondContact O-N 2.91Å; H139-R141 VanDerWaalsContact O-N 3.1Å; R141-L144 WeakPolarHBondContact CA-O 3.27Å; R141-D148 HydrophobicContact CB-CB 3.95Å; R141-D148 WeakPolarHBondContact CB-OD2 3.45Å; R141-D148 WeakPolarHBondContact CG-OD2 3.3Å; R141-D148 IonicContact CZ-OD2 3.99Å; R141-D148 PolarHBondContact N-OD2 3.03Å; R141-D148 IonicContact NE-OD2 3.62Å; R141-D148 PolarHBondContact NE-OD2 2.91Å; R141-D148 PolarHBondContact NH2-O 3.5Å; R141-D148 IonicContact NH2-OD2 3.74Å |
| 142 | S | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | G | 310 helix | trans | -99.1 | -1.4 | 172.4 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | R59 L61 S112 S113 A114 H139 A140 | R59-S142 WeakPolarHBondContact O-CA 3.42Å; R59-S142 VanDerWaalsContact O-CB 3.28Å; R59-S142 WeakPolarHBondContact O-CB 3.29Å; L61-S142 WeakPolarHBondContact CD2-O 3.46Å; S112-S142 PolarHBondContact OG-O 3.47Å; S112-S142 PolarHBondContact OG-OG 2.98Å; S113-S142 PolarHBondContact N-OG 2.98Å; S113-S142 PolarHBondContact OG-OG 3.43Å; A114-S142 VanDerWaalsContact CB-OG 3.28Å; A114-S142 WeakPolarHBondContact CB-OG 3.47Å; A114-S142 PolarHBondContact N-OG 2.93Å; H139-S142 WeakPolarHBondContact O-CA 3.26Å; H139-S142 WeakPolarHBondContact O-CB 3.37Å; H139-S142 PolarHBondContact O-N 3.49Å; H139-S142 PolarHBondContact O-OG 2.82Å; A140-S142 PolarHBondContact O-N 2.86Å |
| 143 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -37.4 | 170.9 | 178.1 | 59.2 | 0 | 0 | 0 | 111.6 | W25 I34 Y106 A114 L115 A140 I201 | W25-L143 HydrophobicContact CH2-CD1 3.96Å; W25-L143 HydrophobicContact CH2-CD2 3.66Å; W25-L143 HydrophobicContact CH2-CG 3.71Å; W25-L143 HydrophobicContact CZ2-CD1 4.1Å; W25-L143 HydrophobicContact CZ2-CD2 4.3Å; W25-L143 HydrophobicContact CZ2-CG 3.86Å; W25-L143 HydrophobicContact CZ3-CD1 4.43Å; W25-L143 HydrophobicContact CZ3-CD2 4.39Å; I34-L143 HydrophobicContact CD1-CD1 3.98Å; Y106-L143 WeakPolarHBondContact CE2-O 3.27Å; Y106-L143 PolarHBondContact OH-O 3.29Å; A114-L143 HydrophobicContact CB-CB 3.87Å; L115-L143 HydrophobicContact CD1-CD1 4.08Å; L115-L143 HydrophobicContact CD2-CD1 3.77Å; L115-L143 HydrophobicContact CG-CD1 4.05Å; A140-L143 WeakPolarHBondContact O-CA 3.45Å; A140-L143 WeakPolarHBondContact O-CB 3.36Å; A140-L143 PolarHBondContact O-N 3.4Å; L143-I201 HydrophobicContact CD2-CG2 4.16Å |
| 144 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -155.9 | 148.2 | 178.3 | 69.9 | 171.3 | 0 | 0 | 0 | 111.8 | L21 I23 W25 V38 Y106 A140 R141 C146 I201 | L21-L144 HydrophobicContact CD1-CD1 3.85Å; I23-L144 HydrophobicContact CD1-CD1 4.17Å; W25-L144 HydrophobicContact CZ2-CB 4.32Å; W25-L144 HydrophobicContact CZ2-CD1 4.42Å; V38-L144 HydrophobicContact CG2-CD1 4.2Å; Y106-L144 HydrophobicContact CE1-CB 4.48Å; Y106-L144 HydrophobicContact CE2-CB 4.42Å; Y106-L144 WeakPolarHBondContact OH-CA 3.44Å; Y106-L144 WeakPolarHBondContact OH-CB 3.44Å; A140-L144 HydrophobicContact CB-CD2 4.39Å; A140-L144 WeakPolarHBondContact O-CD2 3.46Å; A140-L144 PolarHBondContact O-N 2.8Å; R141-L144 WeakPolarHBondContact CA-O 3.27Å; L144-C146 HydrophobicContact CG-CB 4.21Å; L144-C146 PolarHBondContact O-N 3.43Å; L144-C146 PolarHBondContact O-SG 2.86Å; L144-I201 HydrophobicContact CD1-CD1 4.1Å; L144-I201 HydrophobicContact CD2-CD1 3.99Å |
| 145 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -63.2 | 123.4 | 167.3 | -16.1 | 30.8 | 0 | 0 | 0 | 109.3 | I40 L56 T58 L61 I63 L89 I104 Y106 | I40-P145 WeakPolarHBondContact CD1-O 3.42Å; L56-P145 HydrophobicContact CD1-CB 4.35Å; T58-P145 HydrophobicContact CG2-CB 3.87Å; T58-P145 HydrophobicContact CG2-CG 4.31Å; L61-P145 HydrophobicContact CD1-CG 3.8Å; I63-P145 HydrophobicContact CD1-CG 3.75Å; L89-P145 HydrophobicContact CD2-CB 4.18Å; I104-P145 HydrophobicContact CD1-CB 3.78Å; I104-P145 HydrophobicContact CD1-CG 4.19Å; I104-P145 HydrophobicContact CG2-CG 3.99Å; Y106-P145 HydrophobicContact CD1-CG 4.22Å; Y106-P145 HydrophobicContact CG-CG 4.28Å | ||
| 146 | C | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | B | Isolated β-bridge | trans | -158 | 173.9 | -178 | 58 | 0 | 0 | 0 | 0 | 112.3 | D57 L144 D148 | D57-C146 PolarHBondContact N-O 3.16Å; D57-C146 PolarHBondContact O-N 3.48Å; L144-C146 HydrophobicContact CG-CB 4.21Å; L144-C146 PolarHBondContact O-N 3.43Å; L144-C146 PolarHBondContact O-SG 2.86Å; C146-D148 PolarHBondContact O-N 2.8Å |
| 147 | Q | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 1% | 0.014 | 5% | 0.054 | C | C | . | . | trans | -79.5 | 91.2 | 163 | -60.1 | -173.3 | -76 | 0 | 0 | 107.7 | S11 Y16 T18 L56 T149 S152 | S11-Q147 WeakPolarHBondContact OG-CB 3.49Å; Y16-Q147 PolarHBondContact O-NE2 2.77Å; Y16-Q147 PolarHBondContact O-OE1 3.42Å; T18-Q147 PolarHBondContact OG1-OE1 3.11Å; L56-Q147 HydrophobicContact CD2-CG 3.99Å; Q147-T149 VanDerWaalsContact C-N 3.27Å; Q147-T149 PolarHBondContact O-N 3.27Å; Q147-S152 PolarHBondContact OE1-OG 3.33Å | ||
| 148 | D | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | trans | -88.1 | 67.3 | -168.1 | -166.3 | 21.8 | 0 | 0 | 0 | 111.8 | D57 A140 R141 C146 S198 | D57-D148 HydrophobicContact CB-CB 3.7Å; D57-D148 PolarHBondContact OD2-N 3.07Å; A140-D148 VanDerWaalsContact CB-OD1 3.32Å; A140-D148 WeakPolarHBondContact CB-OD1 3.15Å; A140-D148 PolarHBondContact N-OD2 2.99Å; R141-D148 HydrophobicContact CB-CB 3.95Å; R141-D148 WeakPolarHBondContact CB-OD2 3.45Å; R141-D148 WeakPolarHBondContact CG-OD2 3.3Å; R141-D148 IonicContact CZ-OD2 3.99Å; R141-D148 PolarHBondContact N-OD2 3.03Å; R141-D148 IonicContact NE-OD2 3.62Å; R141-D148 PolarHBondContact NE-OD2 2.91Å; R141-D148 PolarHBondContact NH2-O 3.5Å; R141-D148 IonicContact NH2-OD2 3.74Å; C146-D148 PolarHBondContact O-N 2.8Å; D148-S198 WeakPolarHBondContact CA-OG 3.45Å; D148-S198 WeakPolarHBondContact OD1-CB 3.45Å; D148-S198 PolarHBondContact OD1-OG 3.18Å | ||
| 149 | T | 97.1 | Very high | 98 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -143.4 | 143.9 | -177.8 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | D6 P13 Q147 T151 S152 | D6-T149 VanDerWaalsContact CB-OG1 3.28Å; D6-T149 WeakPolarHBondContact CB-OG1 3.48Å; D6-T149 WeakPolarHBondContact OD2-CB 3.44Å; D6-T149 PolarHBondContact OD2-OG1 3.05Å; P13-T149 HydrophobicContact CG-CG2 3.62Å; Q147-T149 VanDerWaalsContact C-N 3.27Å; Q147-T149 PolarHBondContact O-N 3.27Å; T149-T151 PolarHBondContact O-N 3.21Å; T149-S152 PolarHBondContact O-N 3.4Å; T149-S152 VanDerWaalsContact O-N 3.1Å |
| 150 | P | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.7 | 177.6 | -29.7 | 38.1 | 0 | 0 | 0 | 115.3 | D6 T306 N307 W310 S416 | D6-P150 WeakPolarHBondContact OD2-CD 3.38Å; P150-T306 HydrophobicContact CB-CG2 3.89Å; P150-N307 WeakPolarHBondContact CB-O 3.05Å; P150-W310 HydrophobicContact CG-CD2 4.19Å; P150-W310 HydrophobicContact CG-CH2 4.14Å; P150-W310 HydrophobicContact CG-CZ2 3.56Å; P150-S416 PolarHBondContact O-OG 2.93Å |
| 151 | T | 95.9 | Very high | 98.1 | Very high | 27 Ų | 27 | 13.2 Ų | 13.2 | 17% | 0.166 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27 | 179.9 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | N3 P13 T149 K153 S308 | N3-T151 WeakPolarHBondContact ND2-CG2 3.45Å; P13-T151 HydrophobicContact CB-CG2 4.05Å; P13-T151 HydrophobicContact CG-CG2 4.36Å; T149-T151 PolarHBondContact O-N 3.21Å; T151-K153 PolarHBondContact O-N 3.36Å; T151-S308 WeakPolarHBondContact OG1-CA 3.37Å; T151-S308 WeakPolarHBondContact OG1-CB 3.25Å; T151-S308 PolarHBondContact OG1-O 3.16Å |
| 152 | S | 96.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | trans | -89 | 99.1 | -178.3 | -177 | 0 | 0 | 0 | 0 | 110.4 | Q147 T149 P197 | Q147-S152 PolarHBondContact OE1-OG 3.33Å; T149-S152 PolarHBondContact O-N 3.4Å; T149-S152 VanDerWaalsContact O-N 3.1Å; S152-P197 WeakPolarHBondContact O-CA 3.4Å | ||
| 153 | K | 98 | Very high | 98.1 | Very high | 26 Ų | 26 | 14.6 Ų | 14.6 | 11% | 0.113 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.2 | 178.1 | -61.1 | -166.9 | 175.9 | -168.9 | 0 | 112 | T151 P195 I196 N303 L304 T306 Q415 S416 | T151-K153 PolarHBondContact O-N 3.36Å; K153-P195 HydrophobicContact CB-CB 3.99Å; K153-I196 CarbonylContact C-O 3.57Å; K153-I196 VanDerWaalsContact CA-O 3.32Å; K153-I196 WeakPolarHBondContact CA-O 3.5Å; K153-N303 PolarHBondContact NZ-O 3.17Å; K153-L304 PolarHBondContact NZ-O 3.2Å; K153-T306 WeakPolarHBondContact CE-OG1 3.29Å; K153-T306 PolarHBondContact NZ-OG1 2.8Å; K153-Q415 WeakPolarHBondContact CE-O 3.31Å; K153-Q415 PolarHBondContact NZ-O 3.42Å; K153-S416 VanDerWaalsContact CE-OG 3.25Å; K153-S416 WeakPolarHBondContact CE-OG 3.43Å |
| 154 | F | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 147 | -178.4 | 46.5 | -98.9 | 0 | 0 | 0 | 111.9 | T18 L21 P195 I196 I201 | T18-F154 HydrophobicContact CG2-CB 3.79Å; T18-F154 HydrophobicContact CG2-CD1 3.67Å; T18-F154 HydrophobicContact CG2-CE1 4.48Å; T18-F154 HydrophobicContact CG2-CG 3.8Å; L21-F154 HydrophobicContact CB-CD2 4.38Å; L21-F154 HydrophobicContact CD1-CD2 3.73Å; L21-F154 HydrophobicContact CD1-CE1 4.38Å; L21-F154 HydrophobicContact CD1-CE2 3.24Å; L21-F154 HydrophobicContact CD1-CG 4.49Å; L21-F154 HydrophobicContact CD1-CZ 3.6Å; L21-F154 HydrophobicContact CG-CD2 3.62Å; L21-F154 HydrophobicContact CG-CE2 3.71Å; L21-F154 HydrophobicContact CG-CG 4.14Å; L21-F154 HydrophobicContact CG-CZ 4.27Å; F154-P195 VanDerWaalsContact C-CA 3.48Å; F154-P195 WeakPolarHBondContact O-CA 3.19Å; F154-I196 PolarHBondContact N-O 3.42Å; F154-I196 PolarHBondContact O-N 2.77Å; F154-I201 HydrophobicContact CE2-CD1 3.95Å; F154-I201 HydrophobicContact CE2-CG1 4.47Å; F154-I201 HydrophobicContact CZ-CD1 4.07Å |
| 155 | P | 98.5 | Very high | 97.9 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 24% | 0.24 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 160.3 | 162.8 | 34.4 | -33.9 | 0 | 0 | 0 | 109.8 | D19 K20 L21 Q192 | D19-P155 WeakPolarHBondContact O-CD 3.49Å; K20-P155 WeakPolarHBondContact CA-O 3.47Å; K20-P155 HydrophobicContact CB-CG 4.01Å; L21-P155 PolarHBondContact N-O 3.11Å; P155-Q192 WeakPolarHBondContact CA-O 3.26Å; P155-Q192 WeakPolarHBondContact CB-O 3.39Å |
| 156 | F | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.8 | 173.7 | 74.1 | -93.3 | 0 | 0 | 0 | 113.6 | L21 I23 A158 M170 A172 Q192 I196 I201 | L21-F156 HydrophobicContact CB-CB 3.87Å; L21-F156 VanDerWaalsContact O-CA 3.25Å; L21-F156 WeakPolarHBondContact O-CA 3.34Å; I23-F156 HydrophobicContact CD1-CD2 4.15Å; I23-F156 HydrophobicContact CD1-CG 4.5Å; F156-A158 HydrophobicContact CD2-CB 4.06Å; F156-A158 HydrophobicContact CE2-CB 4.01Å; F156-M170 HydrophobicContact CE2-CE 3.88Å; F156-M170 HydrophobicContact CZ-CE 4.3Å; F156-A172 HydrophobicContact CE2-CB 3.89Å; F156-A172 HydrophobicContact CZ-CB 3.7Å; F156-Q192 HydrophobicContact CD1-CB 3.54Å; F156-Q192 HydrophobicContact CD1-CG 4.03Å; F156-Q192 HydrophobicContact CD2-CB 4.47Å; F156-Q192 HydrophobicContact CE1-CB 3.27Å; F156-Q192 HydrophobicContact CE1-CG 3.72Å; F156-Q192 HydrophobicContact CE2-CB 4.27Å; F156-Q192 HydrophobicContact CG-CB 4.14Å; F156-Q192 HydrophobicContact CZ-CB 3.69Å; F156-Q192 HydrophobicContact CZ-CG 4.48Å; F156-Q192 PolarHBondContact N-O 3.21Å; F156-Q192 PolarHBondContact O-N 3.46Å; F156-I196 HydrophobicContact CD1-CD1 4.18Å; F156-I196 HydrophobicContact CD1-CG1 4.44Å; F156-I196 HydrophobicContact CE1-CD1 3.67Å; F156-I196 HydrophobicContact CE1-CG1 4.38Å; F156-I201 HydrophobicContact CE1-CG1 4.47Å |
| 157 | E | 98.8 | Very high | 97.9 | Very high | 84 Ų | 84 | 26 Ų | 26 | 39% | 0.393 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.5 | 164.6 | -66.2 | -173.4 | -175.5 | 0 | 0 | 108.7 | L21 E22 I23 F190 K191 | L21-E157 PolarHBondContact O-N 3.02Å; E22-E157 WeakPolarHBondContact CA-O 3.3Å; I23-E157 PolarHBondContact N-O 3.24Å; E157-F190 WeakPolarHBondContact CA-O 3.49Å; E157-K191 HydrophobicContact CG-CB 4.31Å; E157-K191 HydrophobicContact CG-CD 4.27Å; E157-K191 HydrophobicContact CG-CG 3.99Å; E157-K191 WeakPolarHBondContact OE1-CE 3.49Å; E157-K191 IonicContact OE1-NZ 3.51Å; E157-K191 PolarHBondContact OE1-NZ 2.67Å |
| 158 | A | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I23 F156 V160 M170 H189 F190 | I23-A158 HydrophobicContact CB-CB 4.03Å; I23-A158 HydrophobicContact CG2-CB 4.39Å; I23-A158 CarbonylContact O-C 3.54Å; I23-A158 WeakPolarHBondContact O-CA 3.45Å; F156-A158 HydrophobicContact CD2-CB 4.06Å; F156-A158 HydrophobicContact CE2-CB 4.01Å; A158-V160 HydrophobicContact CB-CG2 4.46Å; A158-M170 HydrophobicContact CB-CE 3.9Å; A158-M170 HydrophobicContact CB-SD 3.75Å; A158-H189 WeakPolarHBondContact O-CA 3.28Å; A158-F190 HydrophobicContact CB-CB 4.41Å; A158-F190 PolarHBondContact N-O 2.6Å; A158-F190 PolarHBondContact O-N 3Å |
| 159 | K | 98.7 | Very high | 97.9 | Very high | 72 Ų | 72 | 26 Ų | 26 | 31% | 0.313 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.5 | 166.4 | 179 | -176.2 | 155.7 | -139.3 | 0 | 107.5 | I23 D24 W25 T187 Y188 | I23-K159 PolarHBondContact O-N 3.3Å; D24-K159 WeakPolarHBondContact CA-O 3.32Å; D24-K159 IonicContact OD1-NZ 2.68Å; D24-K159 PolarHBondContact OD1-NZ 2.94Å; D24-K159 IonicContact OD2-NZ 3.45Å; D24-K159 PolarHBondContact OD2-NZ 2.98Å; W25-K159 PolarHBondContact N-O 3.45Å; K159-T187 HydrophobicContact CD-CG2 4.03Å; K159-T187 HydrophobicContact CG-CG2 3.44Å; K159-T187 VanDerWaalsContact CG-CG2 3.44Å; K159-Y188 CarbonylContact C-O 3.57Å; K159-Y188 WeakPolarHBondContact CA-O 3.38Å |
| 160 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 120.6 | -177.7 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | W25 I27 A158 V168 M170 T187 Y188 F190 I203 | W25-V160 HydrophobicContact CB-CG1 4.38Å; W25-V160 HydrophobicContact CB-CG2 4.42Å; W25-V160 HydrophobicContact CE3-CG2 4.33Å; W25-V160 CarbonylContact O-C 3.57Å; W25-V160 WeakPolarHBondContact O-CA 3.4Å; I27-V160 HydrophobicContact CD1-CG1 3.66Å; I27-V160 HydrophobicContact CG1-CG1 4.03Å; A158-V160 HydrophobicContact CB-CG2 4.46Å; V160-V168 HydrophobicContact CB-CG1 4.15Å; V160-V168 HydrophobicContact CG1-CG1 3.97Å; V160-V168 HydrophobicContact CG1-CG2 4.27Å; V160-M170 HydrophobicContact CG2-SD 3.61Å; V160-T187 CarbonylContact O-C 3.52Å; V160-T187 WeakPolarHBondContact O-CA 3.27Å; V160-Y188 PolarHBondContact N-O 2.95Å; V160-Y188 PolarHBondContact O-N 3.2Å; V160-F190 HydrophobicContact CG2-CD2 4.36Å; V160-F190 HydrophobicContact CG2-CE2 4.33Å; V160-I203 HydrophobicContact CG1-CD1 3.97Å; V160-I203 HydrophobicContact CG2-CD1 4.05Å |
| 161 | T | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.3 | 174 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | W25 K26 I27 T181 H185 L186 T187 | W25-T161 PolarHBondContact O-N 3.39Å; K26-T161 WeakPolarHBondContact CA-O 3.49Å; K26-T161 HydrophobicContact CG-CG2 4.42Å; I27-T161 PolarHBondContact N-O 2.87Å; T161-T181 HydrophobicContact CG2-CG2 4.13Å; T161-H185 HydrophobicContact CG2-CB 3.74Å; T161-L186 WeakPolarHBondContact CA-O 3.47Å; T161-T187 PolarHBondContact OG1-OG1 2.9Å; T161-T187 VanDerWaalsContact OG1-OG1 3.1Å |
| 162 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I27 K164 V168 H185 L186 | I27-A162 HydrophobicContact CB-CB 4.38Å; I27-A162 HydrophobicContact CD1-CB 4.27Å; A162-K164 PolarHBondContact O-N 3.08Å; A162-V168 HydrophobicContact CB-CG2 3.41Å; A162-V168 VanDerWaalsContact CB-CG2 3.41Å; A162-H185 CarbonylContact O-C 3.58Å; A162-H185 WeakPolarHBondContact O-CA 3.35Å; A162-H185 WeakPolarHBondContact O-CB 3.41Å; A162-L186 PolarHBondContact N-O 2.92Å; A162-L186 PolarHBondContact O-N 3.05Å |
| 163 | P | 98 | Very high | 98.3 | Very high | 28 Ų | 28 | 29 Ų | 29 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 137.1 | 173.3 | -26.1 | 36 | 0 | 0 | 0 | 111.9 | F29 E165 T166 K184 | F29-P163 HydrophobicContact CD2-CG 4.07Å; F29-P163 HydrophobicContact CE2-CG 4.47Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.12Å; P163-T166 HydrophobicContact CB-CG2 4.44Å; P163-T166 PolarHBondContact O-N 3.3Å; P163-T166 PolarHBondContact O-OG1 2.96Å; P163-K184 WeakPolarHBondContact CA-O 3.25Å |
| 164 | K | 97.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.3 | -172.4 | 68.6 | 178.9 | -179.5 | -174.7 | 0 | 114 | A162 D183 K184 L186 | A162-K164 PolarHBondContact O-N 3.08Å; K164-D183 WeakPolarHBondContact CD-O 3.4Å; K164-D183 WeakPolarHBondContact CE-O 3.44Å; K164-D183 PolarHBondContact NZ-O 2.73Å; K164-K184 PolarHBondContact N-O 3.27Å; K164-L186 HydrophobicContact CB-CD1 4.17Å; K164-L186 HydrophobicContact CB-CG 3.89Å |
| 165 | E | 95.7 | Very high | 98.2 | Very high | 107 Ų | 107 | 35.9 Ų | 35.9 | 50% | 0.5 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5.6 | 176.6 | -60.3 | 77.3 | -167.3 | 0 | 0 | 113.1 | Q128 P163 | Q128-E165 PolarHBondContact NE2-O 2.89Å; Q128-E165 PolarHBondContact OE1-O 3.47Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.12Å |
| 166 | T | 97.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -113.4 | 152.8 | -180 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | F29 P163 Y188 C205 | F29-T166 HydrophobicContact CE2-CG2 4.08Å; P163-T166 HydrophobicContact CB-CG2 4.44Å; P163-T166 PolarHBondContact O-N 3.3Å; P163-T166 PolarHBondContact O-OG1 2.96Å; T166-Y188 PolarHBondContact O-OH 3.03Å; T166-C205 PolarHBondContact OG1-SG 3.17Å; T166-C205 VanDerWaalsContact OG1-SG 3.32Å |
| 167 | V | 98.4 | Very high | 98 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.4 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | I169 C205 G206 L208 W220 | V167-I169 HydrophobicContact CG1-CG2 4.24Å; V167-C205 WeakPolarHBondContact O-CA 3.31Å; V167-G206 PolarHBondContact N-O 2.99Å; V167-G206 PolarHBondContact O-N 3.22Å; V167-L208 HydrophobicContact CB-CB 4.11Å; V167-L208 HydrophobicContact CG1-CB 4.42Å; V167-W220 HydrophobicContact CG1-CZ3 4.12Å |
| 168 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.1 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | I27 V160 A162 M170 Y188 F190 I203 A204 C205 | I27-V168 HydrophobicContact CD1-CG2 4.26Å; V160-V168 HydrophobicContact CB-CG1 4.15Å; V160-V168 HydrophobicContact CG1-CG1 3.97Å; V160-V168 HydrophobicContact CG1-CG2 4.27Å; A162-V168 HydrophobicContact CB-CG2 3.41Å; A162-V168 VanDerWaalsContact CB-CG2 3.41Å; V168-M170 HydrophobicContact CG1-CG 4.44Å; V168-Y188 HydrophobicContact CB-CD1 4.17Å; V168-Y188 HydrophobicContact CB-CD2 3.78Å; V168-Y188 HydrophobicContact CB-CE1 4.4Å; V168-Y188 HydrophobicContact CB-CE2 4.03Å; V168-Y188 HydrophobicContact CB-CG 3.88Å; V168-Y188 HydrophobicContact CG2-CD2 3.69Å; V168-Y188 HydrophobicContact CG2-CE2 3.74Å; V168-Y188 HydrophobicContact CG2-CG 4.31Å; V168-F190 HydrophobicContact CB-CE2 4.44Å; V168-F190 HydrophobicContact CB-CZ 4.3Å; V168-F190 HydrophobicContact CG1-CE2 3.83Å; V168-F190 HydrophobicContact CG1-CZ 3.94Å; V168-F190 WeakPolarHBondContact O-CZ 3.4Å; V168-I203 HydrophobicContact CG1-CD1 4.14Å; V168-I203 HydrophobicContact CG1-CG1 4.21Å; V168-A204 WeakPolarHBondContact CA-O 3.29Å; V168-C205 HydrophobicContact CG2-CB 4.43Å |
| 169 | I | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.8 | 168.7 | 53.6 | 176.1 | 0 | 0 | 0 | 108.8 | V167 I203 A204 L208 W220 L258 L274 | V167-I169 HydrophobicContact CG1-CG2 4.24Å; I169-I203 WeakPolarHBondContact O-CA 3.49Å; I169-A204 HydrophobicContact CD1-CB 4.37Å; I169-A204 HydrophobicContact CG1-CB 3.98Å; I169-A204 PolarHBondContact N-O 2.93Å; I169-A204 PolarHBondContact O-N 3.5Å; I169-L208 HydrophobicContact CD1-CD1 3.59Å; I169-L208 HydrophobicContact CG1-CD1 3.88Å; I169-W220 HydrophobicContact CD1-CB 4.11Å; I169-W220 HydrophobicContact CD1-CG 4.2Å; I169-W220 HydrophobicContact CG2-CD2 4.15Å; I169-W220 HydrophobicContact CG2-CE3 4.14Å; I169-W220 HydrophobicContact CG2-CZ2 4.49Å; I169-W220 HydrophobicContact CG2-CZ3 4.33Å; I169-L258 HydrophobicContact CD1-CB 4.28Å; I169-L258 HydrophobicContact CD1-CD1 3.86Å; I169-L258 HydrophobicContact CD1-CD2 3.82Å; I169-L258 HydrophobicContact CD1-CG 4.19Å; I169-L274 HydrophobicContact CB-CD2 3.92Å; I169-L274 HydrophobicContact CD1-CD1 4Å; I169-L274 HydrophobicContact CD1-CD2 3.89Å; I169-L274 HydrophobicContact CG1-CD2 3.77Å |
| 170 | M | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.8 | -179.3 | -69.7 | -170.9 | 74.1 | 0 | 0 | 110.3 | W25 F156 A158 V160 V168 A172 F190 A202 I203 L274 | W25-M170 HydrophobicContact CE3-CE 4.5Å; W25-M170 HydrophobicContact CZ3-CE 3.89Å; F156-M170 HydrophobicContact CE2-CE 3.88Å; F156-M170 HydrophobicContact CZ-CE 4.3Å; A158-M170 HydrophobicContact CB-CE 3.9Å; A158-M170 HydrophobicContact CB-SD 3.75Å; V160-M170 HydrophobicContact CG2-SD 3.61Å; V168-M170 HydrophobicContact CG1-CG 4.44Å; M170-A172 HydrophobicContact CB-CB 4.2Å; M170-A172 PolarHBondContact O-N 3Å; M170-F190 HydrophobicContact CB-CD1 4.05Å; M170-F190 HydrophobicContact CB-CD2 4.32Å; M170-F190 HydrophobicContact CB-CE1 4.27Å; M170-F190 HydrophobicContact CB-CG 4.08Å; M170-F190 HydrophobicContact CB-CZ 4.49Å; M170-F190 HydrophobicContact CG-CD1 4.43Å; M170-F190 HydrophobicContact CG-CD2 3.89Å; M170-F190 HydrophobicContact CG-CE1 4.44Å; M170-F190 HydrophobicContact CG-CE2 3.88Å; M170-F190 HydrophobicContact CG-CG 4.17Å; M170-F190 HydrophobicContact CG-CZ 4.18Å; M170-F190 HydrophobicContact SD-CB 4.25Å; M170-F190 HydrophobicContact SD-CD2 3.42Å; M170-F190 WeakPolarHBondContact SD-CD2 3.29Å; M170-F190 HydrophobicContact SD-CE2 3.86Å; M170-F190 HydrophobicContact SD-CG 3.93Å; M170-A202 CarbonylContact C-O 3.53Å; M170-A202 WeakPolarHBondContact CA-O 3.44Å; M170-A202 WeakPolarHBondContact CB-O 3.41Å; M170-I203 HydrophobicContact CE-CB 4.34Å; M170-I203 HydrophobicContact CE-CD1 4.43Å; M170-I203 HydrophobicContact CG-CB 4.05Å; M170-I203 HydrophobicContact CG-CD1 4.12Å; M170-I203 HydrophobicContact CG-CG1 3.86Å; M170-I203 HydrophobicContact SD-CD1 4.18Å; M170-L274 VanDerWaalsContact C-CD2 3.46Å; M170-L274 WeakPolarHBondContact O-CB 3.15Å |
| 171 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -67.3 | 47.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q192 A202 P272 | G171-Q192 PolarHBondContact O-NE2 3.27Å; G171-A202 PolarHBondContact N-O 3.29Å; G171-P272 CarbonylContact C-O 3.47Å; G171-P272 WeakPolarHBondContact CA-O 3.46Å |
| 172 | A | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -160.9 | 148.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F156 M170 R174 F190 Q192 | F156-A172 HydrophobicContact CE2-CB 3.89Å; F156-A172 HydrophobicContact CZ-CB 3.7Å; M170-A172 HydrophobicContact CB-CB 4.2Å; M170-A172 PolarHBondContact O-N 3Å; A172-R174 PolarHBondContact O-N 2.91Å; A172-F190 HydrophobicContact CB-CB 3.79Å; A172-Q192 HydrophobicContact CB-CB 3.92Å |
| 173 | K | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 60.9 Ų | 60.9 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.2 | 178.3 | -179.5 | 173.1 | -175.6 | 173.4 | 0 | 110.7 | I175 F190 K191 D253 I254 | K173-I175 PolarHBondContact O-N 3.38Å; K173-F190 CarbonylContact O-C 3.5Å; K173-F190 VanDerWaalsContact O-CA 3.25Å; K173-F190 WeakPolarHBondContact O-CA 3.42Å; K173-K191 PolarHBondContact N-O 3.31Å; K173-K191 PolarHBondContact O-N 3.15Å; K173-D253 WeakPolarHBondContact CD-OD2 3.42Å; K173-D253 WeakPolarHBondContact CE-OD2 3.46Å; K173-D253 IonicContact NZ-OD1 2.82Å; K173-D253 IonicContact NZ-OD2 2.73Å; K173-D253 PolarHBondContact NZ-OD2 2.93Å; K173-I254 HydrophobicContact CB-CD1 4.42Å |
| 174 | R | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 123.1 | 168 | 175.8 | 166.5 | 34.2 | -155.8 | -17.4 | 109.9 | A172 A176 H189 F190 | A172-R174 PolarHBondContact O-N 2.91Å; R174-A176 WeakPolarHBondContact CG-O 3.49Å; R174-H189 WeakPolarHBondContact CA-O 3.15Å; R174-F190 HydrophobicContact CB-CD1 3.99Å; R174-F190 HydrophobicContact CB-CE1 3.93Å |
| 175 | I | 97.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | trans | -103.4 | -8.5 | -172.4 | 58.7 | 170 | 0 | 0 | 0 | 114.3 | K173 H189 K191 | K173-I175 PolarHBondContact O-N 3.38Å; I175-H189 HydrophobicContact CD1-CB 4.22Å; I175-H189 HydrophobicContact CG1-CB 3.76Å; I175-H189 WeakPolarHBondContact CG1-O 3.11Å; I175-H189 PolarHBondContact N-O 3.24Å; I175-K191 HydrophobicContact CD1-CB 4.42Å; I175-K191 HydrophobicContact CG2-CB 3.6Å | ||
| 176 | A | 96.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -149.7 | 158.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | R174 H189 | R174-A176 WeakPolarHBondContact CG-O 3.49Å; A176-H189 HydrophobicContact CB-CB 4.46Å |
| 177 | E | 97.2 | Very high | 97.7 | Very high | 153 Ų | 153 | 60.3 Ų | 60.3 | 72% | 0.715 | 31% | 0.309 | S | S | * | . | trans | -63.1 | 146.2 | 168.1 | -69.8 | -57 | 140 | 0 | 0 | 110.6 | L179 | E177-L179 PolarHBondContact O-N 3.47Š| ||
| 178 | P | 97.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 59 Ų | 59 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | trans | -60.4 | 134.7 | 178.8 | -20.7 | 33.1 | 0 | 0 | 0 | 111.7 | L186 T187 Y188 | P178-L186 HydrophobicContact CB-CB 4.33Å; P178-L186 HydrophobicContact CB-CD1 4.37Å; P178-L186 HydrophobicContact CB-CD2 4.48Å; P178-T187 WeakPolarHBondContact CA-O 3.48Å; P178-Y188 HydrophobicContact CB-CD1 3.96Å; P178-Y188 HydrophobicContact CB-CE1 3.73Å; P178-Y188 HydrophobicContact CB-CE2 4.32Å; P178-Y188 HydrophobicContact CB-CG 4.33Å; P178-Y188 HydrophobicContact CG-CD1 3.58Å; P178-Y188 HydrophobicContact CG-CE1 3.27Å; P178-Y188 HydrophobicContact CG-CG 4.41Å | ||
| 179 | L | 97.2 | Very high | 97.7 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.6 | -176.6 | -59.6 | 176.6 | 0 | 0 | 0 | 110.9 | E177 T181 L186 T187 | E177-L179 PolarHBondContact O-N 3.47Å; L179-T181 PolarHBondContact O-N 3.32Å; L179-L186 CarbonylContact O-C 3.52Å; L179-L186 WeakPolarHBondContact O-CA 3.32Å; L179-T187 PolarHBondContact N-O 2.92Å; L179-T187 PolarHBondContact O-N 3.26Å |
| 180 | L | 97.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 67% | 0.67 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 122.1 | 169.5 | -77.4 | 167.5 | 0 | 0 | 0 | 109.7 | L186 | L180-L186 HydrophobicContact CD2-CD2 3.82Å; L180-L186 HydrophobicContact CG-CD2 4.07Å |
| 181 | T | 96.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -41.3 | 173.9 | -47.9 | 0 | 0 | 0 | 0 | 110.1 | T161 L179 H185 T187 | T161-T181 HydrophobicContact CG2-CG2 4.13Å; L179-T181 PolarHBondContact O-N 3.32Å; T181-H185 PolarHBondContact N-O 2.74Å; T181-T187 WeakPolarHBondContact OG1-CB 3.42Å; T181-T187 PolarHBondContact OG1-N 3.31Å; T181-T187 PolarHBondContact OG1-OG1 3.48Å |
| 182 | D | 97 | Very high | 97.7 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -172.6 | 172.5 | 61.2 | 44 | 0 | 0 | 0 | 108.6 | K184 H185 | D182-K184 PolarHBondContact O-N 3.18Å; D182-K184 WeakPolarHBondContact OD1-CA 3.3Å; D182-K184 PolarHBondContact OD1-N 3.14Å; D182-H185 VanDerWaalsContact CG-ND1 3.31Å; D182-H185 IonicContact OD1-CE1 3.98Å; D182-H185 IonicContact OD1-CG 3.31Å; D182-H185 PolarHBondContact OD1-N 2.78Å; D182-H185 IonicContact OD1-ND1 3.9Å; D182-H185 PolarHBondContact OD1-ND1 2.94Å; D182-H185 IonicContact OD2-CE1 3.77Å; D182-H185 IonicContact OD2-CG 2.71Å; D182-H185 IonicContact OD2-ND1 3.88Å; D182-H185 PolarHBondContact OD2-ND1 3.15Å |
| 183 | D | 95.8 | Very high | 97.7 | Very high | 141 Ų | 141 | 68.8 Ų | 68.8 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.3 | -178.3 | -67.4 | -27.7 | 0 | 0 | 0 | 114.9 | K164 | K164-D183 WeakPolarHBondContact CD-O 3.4Å; K164-D183 WeakPolarHBondContact CE-O 3.44Å; K164-D183 PolarHBondContact NZ-O 2.73Å |
| 184 | K | 97.4 | Very high | 97.7 | Very high | 148 Ų | 148 | 66 Ų | 66 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -13.1 | -172.7 | -63.4 | -177.4 | -179 | -179.6 | 0 | 113.8 | P163 K164 D182 | P163-K184 WeakPolarHBondContact CA-O 3.25Å; K164-K184 PolarHBondContact N-O 3.27Å; D182-K184 PolarHBondContact O-N 3.18Å; D182-K184 WeakPolarHBondContact OD1-CA 3.3Å; D182-K184 PolarHBondContact OD1-N 3.14Å |
| 185 | H | 98.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.5 | -173.4 | -55.5 | 88.6 | 0 | 0 | 0 | 113.3 | T161 A162 T181 D182 | T161-H185 HydrophobicContact CG2-CB 3.74Å; A162-H185 CarbonylContact O-C 3.58Å; A162-H185 WeakPolarHBondContact O-CA 3.35Å; A162-H185 WeakPolarHBondContact O-CB 3.41Å; T181-H185 PolarHBondContact N-O 2.74Å; D182-H185 VanDerWaalsContact CG-ND1 3.31Å; D182-H185 IonicContact OD1-CE1 3.98Å; D182-H185 IonicContact OD1-CG 3.31Å; D182-H185 PolarHBondContact OD1-N 2.78Å; D182-H185 IonicContact OD1-ND1 3.9Å; D182-H185 PolarHBondContact OD1-ND1 2.94Å; D182-H185 IonicContact OD2-CE1 3.77Å; D182-H185 IonicContact OD2-CG 2.71Å; D182-H185 IonicContact OD2-ND1 3.88Å; D182-H185 PolarHBondContact OD2-ND1 3.15Å |
| 186 | L | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.3 | 168.4 | -69.1 | 170.8 | 0 | 0 | 0 | 109.8 | T161 A162 K164 P178 L179 L180 Y188 | T161-L186 WeakPolarHBondContact CA-O 3.47Å; A162-L186 PolarHBondContact N-O 2.92Å; A162-L186 PolarHBondContact O-N 3.05Å; K164-L186 HydrophobicContact CB-CD1 4.17Å; K164-L186 HydrophobicContact CB-CG 3.89Å; P178-L186 HydrophobicContact CB-CB 4.33Å; P178-L186 HydrophobicContact CB-CD1 4.37Å; P178-L186 HydrophobicContact CB-CD2 4.48Å; L179-L186 CarbonylContact O-C 3.52Å; L179-L186 WeakPolarHBondContact O-CA 3.32Å; L180-L186 HydrophobicContact CD2-CD2 3.82Å; L180-L186 HydrophobicContact CG-CD2 4.07Å; L186-Y188 HydrophobicContact CB-CD2 4.42Å; L186-Y188 HydrophobicContact CB-CE2 3.75Å |
| 187 | T | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.2 | 169.7 | -73.9 | 0 | 0 | 0 | 0 | 109.4 | K159 V160 T161 P178 L179 T181 | K159-T187 HydrophobicContact CD-CG2 4.03Å; K159-T187 HydrophobicContact CG-CG2 3.44Å; K159-T187 VanDerWaalsContact CG-CG2 3.44Å; V160-T187 CarbonylContact O-C 3.52Å; V160-T187 WeakPolarHBondContact O-CA 3.27Å; T161-T187 PolarHBondContact OG1-OG1 2.9Å; T161-T187 VanDerWaalsContact OG1-OG1 3.1Å; P178-T187 WeakPolarHBondContact CA-O 3.48Å; L179-T187 PolarHBondContact N-O 2.92Å; L179-T187 PolarHBondContact O-N 3.26Å; T181-T187 WeakPolarHBondContact OG1-CB 3.42Å; T181-T187 PolarHBondContact OG1-N 3.31Å; T181-T187 PolarHBondContact OG1-OG1 3.48Å |
| 188 | Y | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.1 | 176 | -63.7 | -105.7 | 0 | 0 | 0 | 109.6 | K159 V160 T166 V168 P178 L186 F190 | K159-Y188 CarbonylContact C-O 3.57Å; K159-Y188 WeakPolarHBondContact CA-O 3.38Å; V160-Y188 PolarHBondContact N-O 2.95Å; V160-Y188 PolarHBondContact O-N 3.2Å; T166-Y188 PolarHBondContact O-OH 3.03Å; V168-Y188 HydrophobicContact CB-CD1 4.17Å; V168-Y188 HydrophobicContact CB-CD2 3.78Å; V168-Y188 HydrophobicContact CB-CE1 4.4Å; V168-Y188 HydrophobicContact CB-CE2 4.03Å; V168-Y188 HydrophobicContact CB-CG 3.88Å; V168-Y188 HydrophobicContact CG2-CD2 3.69Å; V168-Y188 HydrophobicContact CG2-CE2 3.74Å; V168-Y188 HydrophobicContact CG2-CG 4.31Å; P178-Y188 HydrophobicContact CB-CD1 3.96Å; P178-Y188 HydrophobicContact CB-CE1 3.73Å; P178-Y188 HydrophobicContact CB-CE2 4.32Å; P178-Y188 HydrophobicContact CB-CG 4.33Å; P178-Y188 HydrophobicContact CG-CD1 3.58Å; P178-Y188 HydrophobicContact CG-CE1 3.27Å; P178-Y188 HydrophobicContact CG-CG 4.41Å; L186-Y188 HydrophobicContact CB-CD2 4.42Å; L186-Y188 HydrophobicContact CB-CE2 3.75Å; Y188-F190 HydrophobicContact CD1-CZ 4.24Å; Y188-F190 HydrophobicContact CG-CE2 4.32Å; Y188-F190 HydrophobicContact CG-CZ 4.31Å |
| 189 | H | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.7 | 177.7 | -66.7 | -92.8 | 0 | 0 | 0 | 110.3 | A158 R174 I175 A176 | A158-H189 WeakPolarHBondContact O-CA 3.28Å; R174-H189 WeakPolarHBondContact CA-O 3.15Å; I175-H189 HydrophobicContact CD1-CB 4.22Å; I175-H189 HydrophobicContact CG1-CB 3.76Å; I175-H189 WeakPolarHBondContact CG1-O 3.11Å; I175-H189 PolarHBondContact N-O 3.24Å; A176-H189 HydrophobicContact CB-CB 4.46Å |
| 190 | F | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.1 | -177.5 | -57 | -86.7 | 0 | 0 | 0 | 111.9 | E157 A158 V160 V168 M170 A172 K173 R174 Y188 | E157-F190 WeakPolarHBondContact CA-O 3.49Å; A158-F190 HydrophobicContact CB-CB 4.41Å; A158-F190 PolarHBondContact N-O 2.6Å; A158-F190 PolarHBondContact O-N 3Å; V160-F190 HydrophobicContact CG2-CD2 4.36Å; V160-F190 HydrophobicContact CG2-CE2 4.33Å; V168-F190 HydrophobicContact CB-CE2 4.44Å; V168-F190 HydrophobicContact CB-CZ 4.3Å; V168-F190 HydrophobicContact CG1-CE2 3.83Å; V168-F190 HydrophobicContact CG1-CZ 3.94Å; V168-F190 WeakPolarHBondContact O-CZ 3.4Å; M170-F190 HydrophobicContact CB-CD1 4.05Å; M170-F190 HydrophobicContact CB-CD2 4.32Å; M170-F190 HydrophobicContact CB-CE1 4.27Å; M170-F190 HydrophobicContact CB-CG 4.08Å; M170-F190 HydrophobicContact CB-CZ 4.49Å; M170-F190 HydrophobicContact CG-CD1 4.43Å; M170-F190 HydrophobicContact CG-CD2 3.89Å; M170-F190 HydrophobicContact CG-CE1 4.44Å; M170-F190 HydrophobicContact CG-CE2 3.88Å; M170-F190 HydrophobicContact CG-CG 4.17Å; M170-F190 HydrophobicContact CG-CZ 4.18Å; M170-F190 HydrophobicContact SD-CB 4.25Å; M170-F190 HydrophobicContact SD-CD2 3.42Å; M170-F190 WeakPolarHBondContact SD-CD2 3.29Å; M170-F190 HydrophobicContact SD-CE2 3.86Å; M170-F190 HydrophobicContact SD-CG 3.93Å; A172-F190 HydrophobicContact CB-CB 3.79Å; K173-F190 CarbonylContact O-C 3.5Å; K173-F190 VanDerWaalsContact O-CA 3.25Å; K173-F190 WeakPolarHBondContact O-CA 3.42Å; R174-F190 HydrophobicContact CB-CD1 3.99Å; R174-F190 HydrophobicContact CB-CE1 3.93Å; Y188-F190 HydrophobicContact CD1-CZ 4.24Å; Y188-F190 HydrophobicContact CG-CE2 4.32Å; Y188-F190 HydrophobicContact CG-CZ 4.31Å |
| 191 | K | 98.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 122.2 | 175 | -178.8 | 168.1 | -175.5 | 141.7 | 0 | 110.9 | E157 K173 I175 S193 | E157-K191 HydrophobicContact CG-CB 4.31Å; E157-K191 HydrophobicContact CG-CD 4.27Å; E157-K191 HydrophobicContact CG-CG 3.99Å; E157-K191 WeakPolarHBondContact OE1-CE 3.49Å; E157-K191 IonicContact OE1-NZ 3.51Å; E157-K191 PolarHBondContact OE1-NZ 2.67Å; K173-K191 PolarHBondContact N-O 3.31Å; K173-K191 PolarHBondContact O-N 3.15Å; I175-K191 HydrophobicContact CD1-CB 4.42Å; I175-K191 HydrophobicContact CG2-CB 3.6Å; K191-S193 WeakPolarHBondContact CE-OG 3.45Å |
| 192 | Q | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 105.1 | 165.9 | 178.4 | 50.3 | -95.8 | 0 | 0 | 107.9 | P155 F156 G171 A172 V194 I196 C273 | P155-Q192 WeakPolarHBondContact CA-O 3.26Å; P155-Q192 WeakPolarHBondContact CB-O 3.39Å; F156-Q192 HydrophobicContact CD1-CB 3.54Å; F156-Q192 HydrophobicContact CD1-CG 4.03Å; F156-Q192 HydrophobicContact CD2-CB 4.47Å; F156-Q192 HydrophobicContact CE1-CB 3.27Å; F156-Q192 HydrophobicContact CE1-CG 3.72Å; F156-Q192 HydrophobicContact CE2-CB 4.27Å; F156-Q192 HydrophobicContact CG-CB 4.14Å; F156-Q192 HydrophobicContact CZ-CB 3.69Å; F156-Q192 HydrophobicContact CZ-CG 4.48Å; F156-Q192 PolarHBondContact N-O 3.21Å; F156-Q192 PolarHBondContact O-N 3.46Å; G171-Q192 PolarHBondContact O-NE2 3.27Å; A172-Q192 HydrophobicContact CB-CB 3.92Å; Q192-V194 WeakPolarHBondContact CG-O 3.23Å; Q192-V194 VanDerWaalsContact OE1-N 3.09Å; Q192-V194 PolarHBondContact OE1-O 3.45Å; Q192-I196 HydrophobicContact CG-CD1 4.27Å; Q192-I196 HydrophobicContact CG-CG1 4.39Å; Q192-I196 HydrophobicContact CG-CG2 4.25Å; Q192-C273 PolarHBondContact NE2-SG 3.14Å |
| 193 | S | 98 | Very high | 98.3 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 54% | 0.538 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -23.3 | -173.6 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | K191 | K191-S193 WeakPolarHBondContact CE-OG 3.45Å |
| 194 | V | 98.2 | Very high | 98.4 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.6 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 108 | Q192 I196 W252 L304 | Q192-V194 WeakPolarHBondContact CG-O 3.23Å; Q192-V194 VanDerWaalsContact OE1-N 3.09Å; Q192-V194 PolarHBondContact OE1-O 3.45Å; V194-I196 PolarHBondContact O-N 3.38Å; V194-W252 HydrophobicContact CB-CE3 3.6Å; V194-W252 HydrophobicContact CB-CH2 4.28Å; V194-W252 HydrophobicContact CB-CZ3 3.45Å; V194-W252 VanDerWaalsContact CB-CZ3 3.45Å; V194-W252 HydrophobicContact CG1-CD2 4.48Å; V194-W252 HydrophobicContact CG1-CE3 3.78Å; V194-W252 HydrophobicContact CG1-CH2 3.63Å; V194-W252 HydrophobicContact CG1-CZ2 4.32Å; V194-W252 HydrophobicContact CG1-CZ3 3.32Å; V194-W252 HydrophobicContact CG2-CE3 3.98Å; V194-W252 HydrophobicContact CG2-CZ3 4.32Å; V194-L304 HydrophobicContact CG1-CD2 4.13Å |
| 195 | P | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 18.3 Ų | 18.3 | 34% | 0.338 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.4 | 178.8 | -24.9 | 34.3 | 0 | 0 | 0 | 112.9 | K153 F154 | K153-P195 HydrophobicContact CB-CB 3.99Å; F154-P195 VanDerWaalsContact C-CA 3.48Å; F154-P195 WeakPolarHBondContact O-CA 3.19Å |
| 196 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.5 | 177.8 | 63.5 | 167.7 | 0 | 0 | 0 | 110.9 | K153 F154 F156 Q192 V194 L200 I201 W252 P272 | K153-I196 CarbonylContact C-O 3.57Å; K153-I196 VanDerWaalsContact CA-O 3.32Å; K153-I196 WeakPolarHBondContact CA-O 3.5Å; F154-I196 PolarHBondContact N-O 3.42Å; F154-I196 PolarHBondContact O-N 2.77Å; F156-I196 HydrophobicContact CD1-CD1 4.18Å; F156-I196 HydrophobicContact CD1-CG1 4.44Å; F156-I196 HydrophobicContact CE1-CD1 3.67Å; F156-I196 HydrophobicContact CE1-CG1 4.38Å; Q192-I196 HydrophobicContact CG-CD1 4.27Å; Q192-I196 HydrophobicContact CG-CG1 4.39Å; Q192-I196 HydrophobicContact CG-CG2 4.25Å; V194-I196 PolarHBondContact O-N 3.38Å; I196-L200 HydrophobicContact CB-CB 4.27Å; I196-L200 HydrophobicContact CB-CD1 4.46Å; I196-L200 HydrophobicContact CD1-CB 3.98Å; I196-I201 HydrophobicContact CD1-CG1 4.24Å; I196-W252 HydrophobicContact CG2-CH2 3.83Å; I196-W252 HydrophobicContact CG2-CZ3 3.48Å; I196-W252 VanDerWaalsContact CG2-CZ3 3.48Å; I196-P272 HydrophobicContact CG2-CB 4.47Å; I196-P272 HydrophobicContact CG2-CG 3.89Å |
| 197 | P | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 156.5 | 164.4 | 30 | -37.2 | 0 | 0 | 0 | 112.2 | S152 Y199 L200 T306 | S152-P197 WeakPolarHBondContact O-CA 3.4Å; P197-Y199 HydrophobicContact CB-CD1 3.71Å; P197-Y199 HydrophobicContact CB-CE1 3.86Å; P197-Y199 HydrophobicContact CG-CD1 3.61Å; P197-Y199 HydrophobicContact CG-CE1 3.3Å; P197-Y199 PolarHBondContact O-N 3.21Å; P197-L200 HydrophobicContact CG-CD1 3.76Å; P197-L200 HydrophobicContact CG-CG 3.98Å; P197-L200 PolarHBondContact O-N 3.28Å; P197-L200 VanDerWaalsContact O-N 3.12Å; P197-T306 HydrophobicContact CG-CG2 4.33Å |
| 198 | S | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -53.8 | -37.9 | -179.3 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | A140 D148 L200 I201 | A140-S198 WeakPolarHBondContact CB-O 3.31Å; D148-S198 WeakPolarHBondContact CA-OG 3.45Å; D148-S198 WeakPolarHBondContact OD1-CB 3.45Å; D148-S198 PolarHBondContact OD1-OG 3.18Å; S198-L200 PolarHBondContact O-N 2.93Å; S198-L200 VanDerWaalsContact O-N 3.13Å; S198-I201 WeakPolarHBondContact O-CB 3.4Å; S198-I201 WeakPolarHBondContact O-CG1 3.48Å; S198-I201 PolarHBondContact O-N 3.4Å; S198-I201 VanDerWaalsContact O-N 3.07Å |
| 199 | Y | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -66 | -15.1 | -176.8 | 87 | -98 | 0 | 0 | 0 | 113.7 | C135 Q136 P197 M269 E270 G302 T306 W310 N316 | C135-Y199 WeakPolarHBondContact CB-O 3.5Å; Q136-Y199 HydrophobicContact CB-CD2 3.74Å; Q136-Y199 HydrophobicContact CB-CE2 4.4Å; Q136-Y199 HydrophobicContact CG-CD2 3.84Å; Q136-Y199 HydrophobicContact CG-CE2 4.16Å; P197-Y199 HydrophobicContact CB-CD1 3.71Å; P197-Y199 HydrophobicContact CB-CE1 3.86Å; P197-Y199 HydrophobicContact CG-CD1 3.61Å; P197-Y199 HydrophobicContact CG-CE1 3.3Å; P197-Y199 PolarHBondContact O-N 3.21Å; Y199-M269 HydrophobicContact CD2-CE 3.83Å; Y199-M269 HydrophobicContact CE2-CE 3.8Å; Y199-E270 VanDerWaalsContact CE2-OE1 3.31Å; Y199-E270 WeakPolarHBondContact CE2-OE1 3.47Å; Y199-E270 PolarHBondContact OH-OE1 2.77Å; Y199-G302 PolarHBondContact OH-O 2.63Å; Y199-T306 HydrophobicContact CE1-CG2 4.03Å; Y199-W310 AromaticContact CD1-CH2 3.66Å; Y199-W310 HydrophobicContact CD1-CH2 3.66Å; Y199-W310 AromaticContact CD1-CZ2 3.87Å; Y199-W310 HydrophobicContact CD1-CZ2 3.87Å; Y199-W310 AromaticContact CD2-CH2 3.98Å; Y199-W310 HydrophobicContact CD2-CH2 3.98Å; Y199-W310 AromaticContact CE1-CH2 3.93Å; Y199-W310 HydrophobicContact CE1-CH2 3.93Å; Y199-W310 HydrophobicContact CE1-CZ2 4.47Å; Y199-W310 HydrophobicContact CE2-CH2 4.22Å; Y199-W310 AromaticContact CG-CH2 3.7Å; Y199-W310 HydrophobicContact CG-CH2 3.7Å; Y199-W310 HydrophobicContact CG-CZ2 4Å; Y199-N316 PolarHBondContact OH-ND2 3.39Å |
| 200 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -95.9 | 1.8 | 177.2 | -67.4 | -179.5 | 0 | 0 | 0 | 113.3 | I196 P197 S198 A202 M269 E270 P272 N303 | I196-L200 HydrophobicContact CB-CB 4.27Å; I196-L200 HydrophobicContact CB-CD1 4.46Å; I196-L200 HydrophobicContact CD1-CB 3.98Å; P197-L200 HydrophobicContact CG-CD1 3.76Å; P197-L200 HydrophobicContact CG-CG 3.98Å; P197-L200 PolarHBondContact O-N 3.28Å; P197-L200 VanDerWaalsContact O-N 3.12Å; S198-L200 PolarHBondContact O-N 2.93Å; S198-L200 VanDerWaalsContact O-N 3.13Å; L200-A202 PolarHBondContact O-N 3.05Å; L200-A202 VanDerWaalsContact O-N 3.12Å; L200-M269 HydrophobicContact CD2-CE 3.84Å; L200-E270 HydrophobicContact CD2-CG 3.92Å; L200-P272 HydrophobicContact CD1-CG 4.01Å; L200-N303 HydrophobicContact CD1-CB 4.17Å; L200-N303 WeakPolarHBondContact CD1-OD1 3.48Å |
| 201 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -67.1 | 112.8 | 170.4 | -63.2 | 170.8 | 0 | 0 | 0 | 107.9 | L21 W25 C135 L143 L144 F154 F156 I196 S198 | L21-I201 HydrophobicContact CD1-CD1 4.39Å; W25-I201 HydrophobicContact CH2-CG2 4.14Å; C135-I201 PolarHBondContact SG-O 2.97Å; L143-I201 HydrophobicContact CD2-CG2 4.16Å; L144-I201 HydrophobicContact CD1-CD1 4.1Å; L144-I201 HydrophobicContact CD2-CD1 3.99Å; F154-I201 HydrophobicContact CE2-CD1 3.95Å; F154-I201 HydrophobicContact CE2-CG1 4.47Å; F154-I201 HydrophobicContact CZ-CD1 4.07Å; F156-I201 HydrophobicContact CE1-CG1 4.47Å; I196-I201 HydrophobicContact CD1-CG1 4.24Å; S198-I201 WeakPolarHBondContact O-CB 3.4Å; S198-I201 WeakPolarHBondContact O-CG1 3.48Å; S198-I201 PolarHBondContact O-N 3.4Å; S198-I201 VanDerWaalsContact O-N 3.07Å | ||
| 202 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -118.5 | 138.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S133 M170 G171 L200 N271 F276 | S133-A202 WeakPolarHBondContact OG-CA 3.28Å; M170-A202 CarbonylContact C-O 3.53Å; M170-A202 WeakPolarHBondContact CA-O 3.44Å; M170-A202 WeakPolarHBondContact CB-O 3.41Å; G171-A202 PolarHBondContact N-O 3.29Å; L200-A202 PolarHBondContact O-N 3.05Å; L200-A202 VanDerWaalsContact O-N 3.12Å; A202-N271 HydrophobicContact CB-CB 3.49Å; A202-N271 VanDerWaalsContact CB-CB 3.49Å; A202-N271 WeakPolarHBondContact CB-ND2 3.44Å; A202-F276 HydrophobicContact CB-CE1 4.43Å; A202-F276 HydrophobicContact CB-CZ 4.09Å | ||
| 203 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.1 | 172.4 | -174.9 | 163.5 | 0 | 0 | 0 | 109.9 | W25 I27 F132 S133 V160 V168 I169 M170 | W25-I203 HydrophobicContact CE3-CD1 3.84Å; W25-I203 HydrophobicContact CZ3-CB 4.48Å; W25-I203 HydrophobicContact CZ3-CD1 4Å; W25-I203 HydrophobicContact CZ3-CG2 4.24Å; I27-I203 HydrophobicContact CD1-CD1 4.05Å; F132-I203 CarbonylContact C-O 3.54Å; F132-I203 VanDerWaalsContact CA-O 3.3Å; F132-I203 WeakPolarHBondContact CA-O 3.48Å; S133-I203 PolarHBondContact N-O 2.93Å; S133-I203 PolarHBondContact OG-N 3.47Å; S133-I203 PolarHBondContact OG-O 3.15Å; V160-I203 HydrophobicContact CG1-CD1 3.97Å; V160-I203 HydrophobicContact CG2-CD1 4.05Å; V168-I203 HydrophobicContact CG1-CD1 4.14Å; V168-I203 HydrophobicContact CG1-CG1 4.21Å; I169-I203 WeakPolarHBondContact O-CA 3.49Å; M170-I203 HydrophobicContact CE-CB 4.34Å; M170-I203 HydrophobicContact CE-CD1 4.43Å; M170-I203 HydrophobicContact CG-CB 4.05Å; M170-I203 HydrophobicContact CG-CD1 4.12Å; M170-I203 HydrophobicContact CG-CG1 3.86Å; M170-I203 HydrophobicContact SD-CD1 4.18Å |
| 204 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F130 M131 F132 V168 I169 L258 F276 | F130-A204 HydrophobicContact CE1-CB 4.29Å; F130-A204 HydrophobicContact CZ-CB 4.35Å; M131-A204 CarbonylContact O-C 3.5Å; M131-A204 VanDerWaalsContact O-CA 3.24Å; M131-A204 WeakPolarHBondContact O-CA 3.45Å; F132-A204 HydrophobicContact CB-CB 4.01Å; V168-A204 WeakPolarHBondContact CA-O 3.29Å; I169-A204 HydrophobicContact CD1-CB 4.37Å; I169-A204 HydrophobicContact CG1-CB 3.98Å; I169-A204 PolarHBondContact N-O 2.93Å; I169-A204 PolarHBondContact O-N 3.5Å; A204-L258 HydrophobicContact CB-CD2 3.42Å; A204-L258 VanDerWaalsContact CB-CD2 3.42Å; A204-F276 HydrophobicContact CB-CE1 4.43Å; A204-F276 HydrophobicContact CB-CZ 4.03Å |
| 205 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 124.4 | -177.6 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | I27 F29 F130 M131 T166 V167 V168 | I27-C205 HydrophobicContact CD1-CB 3.77Å; F29-C205 HydrophobicContact CZ-CB 4.19Å; F130-C205 CarbonylContact C-O 3.57Å; F130-C205 WeakPolarHBondContact CA-O 3.49Å; M131-C205 HydrophobicContact CE-CB 3.97Å; M131-C205 PolarHBondContact N-O 3.42Å; M131-C205 PolarHBondContact O-N 3.42Å; T166-C205 PolarHBondContact OG1-SG 3.17Å; T166-C205 VanDerWaalsContact OG1-SG 3.32Å; V167-C205 WeakPolarHBondContact O-CA 3.31Å; V168-C205 HydrophobicContact CG2-CB 4.43Å |
| 206 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | -167.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V167 L208 | V167-G206 PolarHBondContact N-O 2.99Å; V167-G206 PolarHBondContact O-N 3.22Å; G206-L208 PolarHBondContact O-N 3.28Å |
| 207 | D | 97.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 16% | 0.16 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -78.4 | 96.3 | 171.7 | -166.4 | -16.5 | 0 | 0 | 0 | 109.4 | R127 Q128 P223 | R127-D207 IonicContact CZ-OD2 3.19Å; R127-D207 IonicContact NH1-OD2 3.48Å; R127-D207 PolarHBondContact NH1-OD2 3.21Å; R127-D207 IonicContact NH2-OD1 2.68Å; R127-D207 IonicContact NH2-OD2 3.16Å; R127-D207 PolarHBondContact NH2-OD2 2.77Å; Q128-D207 HydrophobicContact CB-CB 4.05Å; Q128-D207 HydrophobicContact CG-CB 4.17Å; Q128-D207 PolarHBondContact NE2-OD2 3.47Å; D207-P223 WeakPolarHBondContact O-CD 3.2Å |
| 208 | L | 98.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | trans | -121.5 | 132.6 | -173 | -67.1 | 169 | 0 | 0 | 0 | 111.3 | F130 V167 I169 G206 W220 A221 L258 | F130-L208 HydrophobicContact CE2-CD1 4.36Å; F130-L208 HydrophobicContact CE2-CD2 3.59Å; F130-L208 HydrophobicContact CE2-CG 4Å; F130-L208 HydrophobicContact CZ-CD1 4.47Å; F130-L208 HydrophobicContact CZ-CD2 4.03Å; V167-L208 HydrophobicContact CB-CB 4.11Å; V167-L208 HydrophobicContact CG1-CB 4.42Å; I169-L208 HydrophobicContact CD1-CD1 3.59Å; I169-L208 HydrophobicContact CG1-CD1 3.88Å; G206-L208 PolarHBondContact O-N 3.28Å; L208-W220 HydrophobicContact CB-CE3 4.27Å; L208-A221 WeakPolarHBondContact CA-O 3.45Å; L208-L258 HydrophobicContact CD1-CD1 4.41Å; L208-L258 HydrophobicContact CD2-CD1 3.65Å | ||
| 209 | A | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 20% | 0.198 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | W220 A221 P223 V226 | A209-W220 WeakPolarHBondContact O-CA 3.39Å; A209-A221 PolarHBondContact N-O 3.46Å; A209-A221 PolarHBondContact O-N 3.16Å; A209-A221 VanDerWaalsContact O-N 3.07Å; A209-P223 HydrophobicContact CB-CG 4.28Å; A209-V226 HydrophobicContact CB-CB 4.26Å; A209-V226 HydrophobicContact CB-CG1 3.99Å; A209-V226 HydrophobicContact CB-CG2 4.35Å; A209-V226 WeakPolarHBondContact O-CG2 3.4Å |
| 210 | S | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 28.6 Ų | 28.6 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155.8 | 175.4 | 66 | 0 | 0 | 0 | 0 | 113.9 | V219 | S210-V219 CarbonylContact C-O 3.44Å; S210-V219 WeakPolarHBondContact CA-O 3.49Å |
| 211 | R | 98.7 | Very high | 98.3 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 36% | 0.362 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.2 | 167 | -64.4 | -66.8 | -178.6 | -86.6 | -6.4 | 109.1 | S218 V219 V226 D227 A230 | R211-S218 CarbonylContact O-C 3.56Å; R211-S218 VanDerWaalsContact O-CA 3.3Å; R211-S218 WeakPolarHBondContact O-CA 3.35Å; R211-V219 HydrophobicContact CB-CG1 3.96Å; R211-V219 PolarHBondContact N-O 3.33Å; R211-V219 PolarHBondContact O-N 3.27Å; R211-V226 HydrophobicContact CB-CG2 4.43Å; R211-V226 HydrophobicContact CG-CG1 4.41Å; R211-V226 HydrophobicContact CG-CG2 3.79Å; R211-D227 IonicContact CZ-OD1 3.94Å; R211-D227 VanDerWaalsContact CZ-OD1 3.23Å; R211-D227 IonicContact NE-OD1 2.85Å; R211-D227 PolarHBondContact NE-OD1 3.24Å; R211-D227 IonicContact NH2-OD1 2.98Å; R211-D227 PolarHBondContact NH2-OD1 3.12Å; R211-D227 IonicContact NH2-OD2 3.42Å; R211-A230 HydrophobicContact CB-CB 3.7Å; R211-A230 HydrophobicContact CG-CB 3.95Å |
| 212 | K | 98.4 | Very high | 98.3 | Very high | 156 Ų | 156 | 29 Ų | 29 | 68% | 0.678 | 15% | 0.152 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.6 | 171.8 | -169.7 | 164 | -173.6 | 163.6 | 0 | 109 | G214 P215 | K212-G214 WeakPolarHBondContact CE-O 3.33Å; K212-G214 VanDerWaalsContact CG-O 3.24Å; K212-G214 WeakPolarHBondContact CG-O 3.49Å; K212-P215 WeakPolarHBondContact CE-O 3.32Å; K212-P215 PolarHBondContact NZ-O 2.83Å; K212-P215 VanDerWaalsContact NZ-O 3.14Å |
| 213 | I | 98.2 | Very high | 98.3 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -119.2 | -12.5 | -179.3 | 54.9 | 168.7 | 0 | 0 | 0 | 112.7 | S217 V219 A230 F233 T236 I257 | I213-S217 WeakPolarHBondContact CG1-O 3.19Å; I213-S217 PolarHBondContact N-O 2.78Å; I213-V219 HydrophobicContact CD1-CB 4.35Å; I213-V219 HydrophobicContact CG2-CB 4.43Å; I213-V219 HydrophobicContact CG2-CG1 3.98Å; I213-A230 HydrophobicContact CG2-CB 4.09Å; I213-F233 HydrophobicContact CD1-CB 4.25Å; I213-T236 HydrophobicContact CD1-CG2 4.36Å; I213-I257 HydrophobicContact CD1-CD1 4.06Å | ||
| 214 | G | 97.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -158.6 | -178.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K212 R216 S217 | K212-G214 WeakPolarHBondContact CE-O 3.33Å; K212-G214 VanDerWaalsContact CG-O 3.24Å; K212-G214 WeakPolarHBondContact CG-O 3.49Å; G214-R216 VanDerWaalsContact C-N 3.26Å; G214-R216 PolarHBondContact O-N 3.34Å; G214-S217 WeakPolarHBondContact CA-OG 3.26Å; G214-S217 PolarHBondContact N-O 3.45Å; G214-S217 VanDerWaalsContact N-O 3.07Å; G214-S217 PolarHBondContact N-OG 2.92Å |
| 215 | P | 97.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 58% | 0.584 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -61.5 | -35.5 | -178.3 | 24.2 | -32.8 | 0 | 0 | 0 | 112.8 | K212 E237 | K212-P215 WeakPolarHBondContact CE-O 3.32Å; K212-P215 PolarHBondContact NZ-O 2.83Å; K212-P215 VanDerWaalsContact NZ-O 3.14Å; P215-E237 WeakPolarHBondContact CD-OE2 3.42Å; P215-E237 HydrophobicContact CG-CG 3.97Å |
| 216 | R | 97.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 35.6 Ų | 35.6 | 21% | 0.211 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -121.1 | 6.9 | -176.8 | 60.5 | -174.5 | 139.4 | -178.6 | -2.4 | 114.1 | G214 E237 E244 I254 Y255 | G214-R216 VanDerWaalsContact C-N 3.26Å; G214-R216 PolarHBondContact O-N 3.34Å; R216-E237 WeakPolarHBondContact CG-OE2 3.04Å; R216-E237 IonicContact CZ-OE1 2.86Å; R216-E237 IonicContact NE-OE1 3.94Å; R216-E237 PolarHBondContact NE-OE1 3.19Å; R216-E237 IonicContact NE-OE2 3.38Å; R216-E237 PolarHBondContact NE-OE2 3.13Å; R216-E237 VanDerWaalsContact NE-OE2 3.16Å; R216-E237 IonicContact NH2-OE1 2.65Å; R216-E237 PolarHBondContact NH2-OE1 2.9Å; R216-E244 IonicContact CZ-OE1 3.95Å; R216-E244 IonicContact CZ-OE2 3.88Å; R216-E244 IonicContact NH1-OE1 3.27Å; R216-E244 PolarHBondContact NH1-OE1 3.06Å; R216-E244 IonicContact NH1-OE2 3.83Å; R216-E244 PolarHBondContact NH1-OE2 2.82Å; R216-E244 IonicContact NH2-OE1 2.8Å; R216-E244 IonicContact NH2-OE2 3.61Å; R216-E244 PolarHBondContact NH2-OE2 3.46Å; R216-I254 WeakPolarHBondContact O-CA 3.41Å; R216-Y255 PolarHBondContact O-N 3.48Å |
| 217 | S | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.4 | -173.9 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | I213 G214 Y255 | I213-S217 WeakPolarHBondContact CG1-O 3.19Å; I213-S217 PolarHBondContact N-O 2.78Å; G214-S217 WeakPolarHBondContact CA-OG 3.26Å; G214-S217 PolarHBondContact N-O 3.45Å; G214-S217 VanDerWaalsContact N-O 3.07Å; G214-S217 PolarHBondContact N-OG 2.92Å; S217-Y255 WeakPolarHBondContact CA-O 3.5Å; S217-Y255 WeakPolarHBondContact CB-O 3.26Å |
| 218 | S | 98.6 | Very high | 98.3 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.1 | 174.1 | -40.7 | 0 | 0 | 0 | 0 | 109.9 | R211 D256 I257 | R211-S218 CarbonylContact O-C 3.56Å; R211-S218 VanDerWaalsContact O-CA 3.3Å; R211-S218 WeakPolarHBondContact O-CA 3.35Å; S218-D256 WeakPolarHBondContact CB-OD1 3.15Å; S218-D256 PolarHBondContact N-OD1 3.21Å; S218-D256 CarbonylContact O-C 3.58Å; S218-D256 VanDerWaalsContact O-CA 3.25Å; S218-D256 WeakPolarHBondContact O-CA 3.47Å; S218-D256 PolarHBondContact OG-OD1 2.95Å; S218-I257 PolarHBondContact O-N 3.45Å |
| 219 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.1 | 165.4 | 68.6 | 0 | 0 | 0 | 0 | 109.5 | S210 R211 I213 V226 A229 A230 F233 I257 V259 | S210-V219 CarbonylContact C-O 3.44Å; S210-V219 WeakPolarHBondContact CA-O 3.49Å; R211-V219 HydrophobicContact CB-CG1 3.96Å; R211-V219 PolarHBondContact N-O 3.33Å; R211-V219 PolarHBondContact O-N 3.27Å; I213-V219 HydrophobicContact CD1-CB 4.35Å; I213-V219 HydrophobicContact CG2-CB 4.43Å; I213-V219 HydrophobicContact CG2-CG1 3.98Å; V219-V226 HydrophobicContact CG1-CG2 4.44Å; V219-A229 HydrophobicContact CG1-CB 4.42Å; V219-A229 HydrophobicContact CG2-CB 3.61Å; V219-A230 HydrophobicContact CG1-CB 3.82Å; V219-F233 HydrophobicContact CG2-CD2 4.15Å; V219-I257 CarbonylContact C-O 3.56Å; V219-I257 VanDerWaalsContact CA-O 3.3Å; V219-I257 WeakPolarHBondContact CA-O 3.4Å; V219-I257 HydrophobicContact CG2-CB 4.31Å; V219-I257 HydrophobicContact CG2-CG2 4.4Å; V219-V259 HydrophobicContact CG2-CG2 4.2Å |
| 220 | W | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 44 Ų | 44 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.3 | 175.2 | -62.6 | 83.7 | 0 | 0 | 0 | 108.8 | V167 I169 L208 A209 D256 I257 L258 V259 | V167-W220 HydrophobicContact CG1-CZ3 4.12Å; I169-W220 HydrophobicContact CD1-CB 4.11Å; I169-W220 HydrophobicContact CD1-CG 4.2Å; I169-W220 HydrophobicContact CG2-CD2 4.15Å; I169-W220 HydrophobicContact CG2-CE3 4.14Å; I169-W220 HydrophobicContact CG2-CZ2 4.49Å; I169-W220 HydrophobicContact CG2-CZ3 4.33Å; L208-W220 HydrophobicContact CB-CE3 4.27Å; A209-W220 WeakPolarHBondContact O-CA 3.39Å; W220-D256 PolarHBondContact NE1-OD2 3.46Å; W220-I257 PolarHBondContact N-O 2.97Å; W220-L258 HydrophobicContact CB-CD1 3.92Å; W220-L258 WeakPolarHBondContact O-CA 3.43Å; W220-V259 PolarHBondContact O-N 3.3Å |
| 221 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L208 A209 I225 V226 V259 | L208-A221 WeakPolarHBondContact CA-O 3.45Å; A209-A221 PolarHBondContact N-O 3.46Å; A209-A221 PolarHBondContact O-N 3.16Å; A209-A221 VanDerWaalsContact O-N 3.07Å; A221-I225 HydrophobicContact CB-CB 3.96Å; A221-I225 HydrophobicContact CB-CG2 3.94Å; A221-V226 HydrophobicContact CB-CB 4.16Å; A221-V226 HydrophobicContact CB-CG2 4.48Å; A221-V259 HydrophobicContact CB-CB 3.96Å; A221-V259 HydrophobicContact CB-CG2 4.47Å |
| 222 | E | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -57.1 | 146.4 | 164.8 | -64.7 | -179.4 | -115.2 | 0 | 0 | 110.9 | T123 A124 D125 S224 I225 V226 | T123-E222 VanDerWaalsContact CB-OE2 3.28Å; T123-E222 WeakPolarHBondContact CB-OE2 3.39Å; A124-E222 VanDerWaalsContact CB-OE1 3.29Å; A124-E222 WeakPolarHBondContact CB-OE1 3.29Å; A124-E222 PolarHBondContact N-OE1 3.3Å; A124-E222 PolarHBondContact N-OE2 3.25Å; D125-E222 WeakPolarHBondContact CB-OE2 3.29Å; D125-E222 PolarHBondContact N-OE2 3.34Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 2.95Å; E222-S224 VanDerWaalsContact O-N 3.11Å; E222-I225 HydrophobicContact CB-CG1 4.39Å; E222-I225 PolarHBondContact O-N 3.21Å; E222-V226 PolarHBondContact O-N 2.99Å; E222-V226 VanDerWaalsContact O-N 3.07Å | ||
| 223 | P | 98.1 | Very high | 98.3 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -35.7 | -176 | -34.3 | 38.7 | 0 | 0 | 0 | 116.1 | D125 D207 A209 I225 | D125-P223 WeakPolarHBondContact OD2-CD 3.22Å; D207-P223 WeakPolarHBondContact O-CD 3.2Å; A209-P223 HydrophobicContact CB-CG 4.28Å; P223-I225 PolarHBondContact O-N 2.88Å |
| 224 | S | 97.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.5 | 177.3 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | D125 E222 | D125-S224 WeakPolarHBondContact OD1-CB 3.46Å; D125-S224 PolarHBondContact OD1-N 3.1Å; D125-S224 PolarHBondContact OD1-OG 2.87Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 2.95Å; E222-S224 VanDerWaalsContact O-N 3.11Å |
| 225 | I | 98.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -30.6 | -172.7 | -56.8 | -56.1 | 0 | 0 | 0 | 111.9 | A124 A221 E222 P223 D227 K228 A229 V259 L282 | A124-I225 HydrophobicContact CB-CD1 4.11Å; A124-I225 HydrophobicContact CB-CG1 3.84Å; A221-I225 HydrophobicContact CB-CB 3.96Å; A221-I225 HydrophobicContact CB-CG2 3.94Å; E222-I225 HydrophobicContact CB-CG1 4.39Å; E222-I225 PolarHBondContact O-N 3.21Å; P223-I225 PolarHBondContact O-N 2.88Å; I225-D227 VanDerWaalsContact C-N 3.31Å; I225-D227 PolarHBondContact O-N 3.28Å; I225-D227 VanDerWaalsContact O-N 3.14Å; I225-K228 WeakPolarHBondContact O-CB 3.37Å; I225-K228 PolarHBondContact O-N 3.35Å; I225-A229 PolarHBondContact O-N 3.05Å; I225-V259 HydrophobicContact CG2-CB 4.48Å; I225-V259 HydrophobicContact CG2-CG1 4.1Å; I225-L282 HydrophobicContact CG2-CD1 3.52Å |
| 226 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.9 | -38.2 | -167.7 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | A209 R211 V219 A221 E222 A229 A230 | A209-V226 HydrophobicContact CB-CB 4.26Å; A209-V226 HydrophobicContact CB-CG1 3.99Å; A209-V226 HydrophobicContact CB-CG2 4.35Å; A209-V226 WeakPolarHBondContact O-CG2 3.4Å; R211-V226 HydrophobicContact CB-CG2 4.43Å; R211-V226 HydrophobicContact CG-CG1 4.41Å; R211-V226 HydrophobicContact CG-CG2 3.79Å; V219-V226 HydrophobicContact CG1-CG2 4.44Å; A221-V226 HydrophobicContact CB-CB 4.16Å; A221-V226 HydrophobicContact CB-CG2 4.48Å; E222-V226 PolarHBondContact O-N 2.99Å; E222-V226 VanDerWaalsContact O-N 3.07Å; V226-A229 PolarHBondContact O-N 2.66Å; V226-A230 WeakPolarHBondContact O-CB 3.41Å; V226-A230 PolarHBondContact O-N 3.44Å |
| 227 | D | 98.7 | Very high | 98.3 | Very high | 95 Ų | 95 | 33 Ų | 33 | 51% | 0.508 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -72.9 | -34.2 | -179.4 | -67.3 | -34.7 | 0 | 0 | 0 | 112.1 | R211 I225 A230 Y231 | R211-D227 IonicContact CZ-OD1 3.94Å; R211-D227 VanDerWaalsContact CZ-OD1 3.23Å; R211-D227 IonicContact NE-OD1 2.85Å; R211-D227 PolarHBondContact NE-OD1 3.24Å; R211-D227 IonicContact NH2-OD1 2.98Å; R211-D227 PolarHBondContact NH2-OD1 3.12Å; R211-D227 IonicContact NH2-OD2 3.42Å; I225-D227 VanDerWaalsContact C-N 3.31Å; I225-D227 PolarHBondContact O-N 3.28Å; I225-D227 VanDerWaalsContact O-N 3.14Å; D227-A230 PolarHBondContact O-N 3.27Å; D227-Y231 PolarHBondContact O-N 2.97Å; D227-Y231 VanDerWaalsContact O-N 3.09Å |
| 228 | K | 98.2 | Very high | 98.3 | Very high | 128 Ų | 128 | 37.6 Ų | 37.6 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -66.5 | -44.3 | 173 | -64.3 | 175.6 | -175.9 | 166.5 | 0 | 110.3 | I225 A230 Y231 E232 | I225-K228 WeakPolarHBondContact O-CB 3.37Å; I225-K228 PolarHBondContact O-N 3.35Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 2.64Å; K228-Y231 PolarHBondContact O-N 2.87Å; K228-E232 WeakPolarHBondContact O-CB 3.46Å; K228-E232 PolarHBondContact O-N 3.36Å |
| 229 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V219 I225 V226 Y231 E232 F233 V259 L282 | V219-A229 HydrophobicContact CG1-CB 4.42Å; V219-A229 HydrophobicContact CG2-CB 3.61Å; I225-A229 PolarHBondContact O-N 3.05Å; V226-A229 PolarHBondContact O-N 2.66Å; A229-Y231 PolarHBondContact O-N 2.83Å; A229-E232 PolarHBondContact O-N 2.93Å; A229-F233 HydrophobicContact CB-CD2 4.39Å; A229-F233 HydrophobicContact CB-CE2 4.32Å; A229-F233 VanDerWaalsContact O-CD2 3.3Å; A229-F233 WeakPolarHBondContact O-CD2 3.34Å; A229-F233 PolarHBondContact O-N 3.02Å; A229-V259 HydrophobicContact CB-CG2 3.56Å; A229-L282 HydrophobicContact CB-CD2 4.04Å |
| 230 | A | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R211 I213 V219 V226 D227 K228 S234 | R211-A230 HydrophobicContact CB-CB 3.7Å; R211-A230 HydrophobicContact CG-CB 3.95Å; I213-A230 HydrophobicContact CG2-CB 4.09Å; V219-A230 HydrophobicContact CG1-CB 3.82Å; V226-A230 WeakPolarHBondContact O-CB 3.41Å; V226-A230 PolarHBondContact O-N 3.44Å; D227-A230 PolarHBondContact O-N 3.27Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 2.64Å; A230-S234 WeakPolarHBondContact O-CB 3.49Å; A230-S234 PolarHBondContact O-N 3.38Å |
| 231 | Y | 98.5 | Very high | 98.2 | Very high | 118 Ų | 118 | 39.2 Ų | 39.2 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.4 | -48 | 173 | 170.5 | -94.2 | 0 | 0 | 0 | 112 | D227 K228 A229 S234 G284 R286 | D227-Y231 PolarHBondContact O-N 2.97Å; D227-Y231 VanDerWaalsContact O-N 3.09Å; K228-Y231 PolarHBondContact O-N 2.87Å; A229-Y231 PolarHBondContact O-N 2.83Å; Y231-S234 PolarHBondContact O-OG 2.95Å; Y231-G284 WeakPolarHBondContact CE1-O 3.47Å; Y231-R286 PolarHBondContact O-NE 3.32Å; Y231-R286 VanDerWaalsContact O-NE 3.08Å; Y231-R286 PolarHBondContact O-NH2 3.03Å |
| 232 | E | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | -175.9 | -158.7 | 74.3 | -154.1 | 0 | 0 | 111.2 | K228 A229 L281 L282 A283 G284 R286 | K228-E232 WeakPolarHBondContact O-CB 3.46Å; K228-E232 PolarHBondContact O-N 3.36Å; A229-E232 PolarHBondContact O-N 2.93Å; E232-L281 WeakPolarHBondContact CG-O 3.42Å; E232-L282 HydrophobicContact CB-CD2 3.84Å; E232-L282 HydrophobicContact CG-CD2 4.06Å; E232-A283 PolarHBondContact OE1-N 3.24Å; E232-G284 PolarHBondContact OE1-N 2.96Å; E232-G284 WeakPolarHBondContact OE2-CA 3.18Å; E232-G284 PolarHBondContact OE2-N 3.18Å; E232-R286 WeakPolarHBondContact O-CG 3.31Å; E232-R286 WeakPolarHBondContact OE1-CA 3.32Å; E232-R286 PolarHBondContact OE1-N 3.03Å |
| 233 | F | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 17.3 | -171.1 | -50.3 | -46.2 | 0 | 0 | 0 | 114.1 | I213 V219 A229 E235 T236 I257 V259 V277 L281 L282 I292 | I213-F233 HydrophobicContact CD1-CB 4.25Å; V219-F233 HydrophobicContact CG2-CD2 4.15Å; A229-F233 HydrophobicContact CB-CD2 4.39Å; A229-F233 HydrophobicContact CB-CE2 4.32Å; A229-F233 VanDerWaalsContact O-CD2 3.3Å; A229-F233 WeakPolarHBondContact O-CD2 3.34Å; A229-F233 PolarHBondContact O-N 3.02Å; F233-E235 PolarHBondContact O-N 3.33Å; F233-T236 WeakPolarHBondContact O-CB 3.44Å; F233-T236 PolarHBondContact O-N 3.31Å; F233-T236 VanDerWaalsContact O-N 3.09Å; F233-T236 PolarHBondContact O-OG1 2.75Å; F233-I257 HydrophobicContact CB-CD1 4Å; F233-I257 HydrophobicContact CD2-CD1 4.44Å; F233-I257 HydrophobicContact CD2-CG2 4.13Å; F233-I257 HydrophobicContact CE2-CG2 4.26Å; F233-I257 HydrophobicContact CG-CD1 4.3Å; F233-V259 HydrophobicContact CE2-CG2 3.73Å; F233-V277 HydrophobicContact CE2-CG2 4.04Å; F233-V277 HydrophobicContact CZ-CG2 4.18Å; F233-L281 HydrophobicContact CE1-CB 4.19Å; F233-L281 HydrophobicContact CZ-CB 4Å; F233-L281 HydrophobicContact CZ-CD1 4.49Å; F233-L282 HydrophobicContact CE2-CD2 3.93Å; F233-L282 HydrophobicContact CZ-CD2 3.89Å; F233-I292 HydrophobicContact CD1-CD1 3.86Å; F233-I292 HydrophobicContact CD1-CG1 3.42Å; F233-I292 VanDerWaalsContact CD1-CG1 3.42Å; F233-I292 HydrophobicContact CE1-CD1 3.86Å; F233-I292 HydrophobicContact CE1-CG1 3.76Å; F233-I292 HydrophobicContact CG-CD1 4.28Å; F233-I292 HydrophobicContact CG-CG1 4.08Å; F233-I292 HydrophobicContact CZ-CD1 4.29Å |
| 234 | S | 97.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.4 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 115 | A230 Y231 R286 | A230-S234 WeakPolarHBondContact O-CB 3.49Å; A230-S234 PolarHBondContact O-N 3.38Å; Y231-S234 PolarHBondContact O-OG 2.95Å; S234-R286 PolarHBondContact OG-NH2 2.77Å |
| 235 | E | 96.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.1 | 177.7 | -68.8 | 171.4 | -175.1 | 0 | 0 | 113.5 | F233 E237 Q238 M239 R286 | F233-E235 PolarHBondContact O-N 3.33Å; E235-E237 VanDerWaalsContact C-N 3.32Å; E235-E237 PolarHBondContact O-N 3.02Å; E235-Q238 WeakPolarHBondContact O-CB 3.18Å; E235-Q238 PolarHBondContact O-N 3.13Å; E235-M239 HydrophobicContact CB-CE 4.38Å; E235-M239 PolarHBondContact O-N 2.85Å; E235-R286 IonicContact OE1-CZ 2.84Å; E235-R286 IonicContact OE1-NH1 3.84Å; E235-R286 PolarHBondContact OE1-NH1 3.49Å |
| 236 | T | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.8 | -45.5 | -178.1 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | I213 F233 Q238 M239 I240 Y255 I257 I292 I296 | I213-T236 HydrophobicContact CD1-CG2 4.36Å; F233-T236 WeakPolarHBondContact O-CB 3.44Å; F233-T236 PolarHBondContact O-N 3.31Å; F233-T236 VanDerWaalsContact O-N 3.09Å; F233-T236 PolarHBondContact O-OG1 2.75Å; T236-Q238 VanDerWaalsContact C-N 3.3Å; T236-Q238 PolarHBondContact O-N 2.95Å; T236-M239 WeakPolarHBondContact O-CB 3.3Å; T236-M239 PolarHBondContact O-N 3.12Å; T236-I240 HydrophobicContact CG2-CD1 4.03Å; T236-I240 HydrophobicContact CG2-CG1 4.49Å; T236-I240 WeakPolarHBondContact O-CG1 3.18Å; T236-I240 PolarHBondContact O-N 3.2Å; T236-Y255 HydrophobicContact CG2-CD1 3.77Å; T236-Y255 HydrophobicContact CG2-CE1 4.03Å; T236-I257 HydrophobicContact CG2-CD1 4.15Å; T236-I257 WeakPolarHBondContact OG1-CD1 3.32Å; T236-I292 HydrophobicContact CG2-CG2 4.31Å; T236-I296 HydrophobicContact CG2-CD1 4.19Å |
| 237 | E | 98 | Very high | 98.1 | Very high | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | -179.6 | -177.6 | 62.9 | -160.6 | 0 | 0 | 112.3 | P215 R216 E235 M239 I240 L241 | P215-E237 WeakPolarHBondContact CD-OE2 3.42Å; P215-E237 HydrophobicContact CG-CG 3.97Å; R216-E237 WeakPolarHBondContact CG-OE2 3.04Å; R216-E237 IonicContact CZ-OE1 2.86Å; R216-E237 IonicContact NE-OE1 3.94Å; R216-E237 PolarHBondContact NE-OE1 3.19Å; R216-E237 IonicContact NE-OE2 3.38Å; R216-E237 PolarHBondContact NE-OE2 3.13Å; R216-E237 VanDerWaalsContact NE-OE2 3.16Å; R216-E237 IonicContact NH2-OE1 2.65Å; R216-E237 PolarHBondContact NH2-OE1 2.9Å; E235-E237 VanDerWaalsContact C-N 3.32Å; E235-E237 PolarHBondContact O-N 3.02Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 2.83Å; E237-I240 PolarHBondContact O-N 2.91Å; E237-L241 HydrophobicContact CG-CD1 4.2Å; E237-L241 HydrophobicContact CG-CG 4.44Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.13Å |
| 238 | Q | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 176.3 | -178.8 | 176.3 | -6.1 | 0 | 0 | 111.2 | E235 T236 L241 A242 I331 | E235-Q238 WeakPolarHBondContact O-CB 3.18Å; E235-Q238 PolarHBondContact O-N 3.13Å; T236-Q238 VanDerWaalsContact C-N 3.3Å; T236-Q238 PolarHBondContact O-N 2.95Å; Q238-L241 PolarHBondContact O-N 3.29Å; Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 2.73Å; Q238-I331 HydrophobicContact CG-CD1 4.34Å; Q238-I331 HydrophobicContact CG-CG1 4.29Å |
| 239 | M | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.6 | -63.6 | 165.9 | -178.6 | 0 | 0 | 111.9 | E235 T236 E237 L241 A242 A243 A289 I292 A293 I296 I327 I331 | E235-M239 HydrophobicContact CB-CE 4.38Å; E235-M239 PolarHBondContact O-N 2.85Å; T236-M239 WeakPolarHBondContact O-CB 3.3Å; T236-M239 PolarHBondContact O-N 3.12Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 2.83Å; M239-L241 PolarHBondContact O-N 3.14Å; M239-A242 PolarHBondContact O-N 3.5Å; M239-A243 PolarHBondContact O-N 2.99Å; M239-A289 HydrophobicContact CE-CB 4.05Å; M239-A289 WeakPolarHBondContact CE-O 3.47Å; M239-I292 HydrophobicContact SD-CB 3.91Å; M239-I292 HydrophobicContact SD-CG2 3.96Å; M239-A293 HydrophobicContact CG-CB 4.25Å; M239-A293 HydrophobicContact SD-CB 4.11Å; M239-I296 HydrophobicContact CB-CD1 3.34Å; M239-I296 HydrophobicContact CG-CD1 4.4Å; M239-I296 HydrophobicContact SD-CD1 4.25Å; M239-I327 HydrophobicContact CB-CG2 4.29Å; M239-I327 HydrophobicContact CG-CG2 4.49Å; M239-I331 HydrophobicContact CB-CD1 4.34Å; M239-I331 HydrophobicContact CG-CD1 3.66Å |
| 240 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.5 | -65.4 | 170.6 | 0 | 0 | 0 | 110.2 | T236 E237 A242 A243 E244 Y250 Y255 I296 | T236-I240 HydrophobicContact CG2-CD1 4.03Å; T236-I240 HydrophobicContact CG2-CG1 4.49Å; T236-I240 WeakPolarHBondContact O-CG1 3.18Å; T236-I240 PolarHBondContact O-N 3.2Å; E237-I240 PolarHBondContact O-N 2.91Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.94Å; I240-A243 PolarHBondContact O-N 3.3Å; I240-E244 HydrophobicContact CG2-CG 4.25Å; I240-E244 WeakPolarHBondContact O-CB 3.38Å; I240-E244 WeakPolarHBondContact O-CG 3.46Å; I240-E244 PolarHBondContact O-N 3.1Å; I240-Y250 HydrophobicContact CG2-CD2 4.49Å; I240-Y250 HydrophobicContact CG2-CG 4.38Å; I240-Y255 HydrophobicContact CD1-CD1 4.38Å; I240-Y255 HydrophobicContact CD1-CG 4Å; I240-I296 HydrophobicContact CG1-CD1 3.76Å; I240-I296 HydrophobicContact CG1-CG1 4.05Å; I240-I296 HydrophobicContact CG1-CG2 4.18Å |
| 241 | L | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 41% | 0.414 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 178.8 | -70.5 | 170.7 | 0 | 0 | 0 | 112 | E237 Q238 M239 E244 N245 | E237-L241 HydrophobicContact CG-CD1 4.2Å; E237-L241 HydrophobicContact CG-CG 4.44Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.13Å; Q238-L241 PolarHBondContact O-N 3.29Å; M239-L241 PolarHBondContact O-N 3.14Å; L241-E244 PolarHBondContact O-N 3.32Å; L241-N245 PolarHBondContact O-N 3.33Å; L241-N245 PolarHBondContact O-ND2 3.01Å |
| 242 | A | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q238 M239 I240 N245 I246 I327 R330 I331 | Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 2.73Å; M239-A242 PolarHBondContact O-N 3.5Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.94Å; A242-N245 PolarHBondContact O-N 3.19Å; A242-I246 WeakPolarHBondContact O-CD1 3.32Å; A242-I246 WeakPolarHBondContact O-CG1 3.42Å; A242-I246 PolarHBondContact O-N 3Å; A242-I327 HydrophobicContact CB-CG2 3.95Å; A242-R330 HydrophobicContact CB-CB 4Å; A242-I331 HydrophobicContact CB-CD1 4.4Å; A242-I331 HydrophobicContact CB-CG1 4.2Å |
| 243 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M239 I240 N245 I246 C247 I296 W300 I327 | M239-A243 PolarHBondContact O-N 2.99Å; I240-A243 PolarHBondContact O-N 3.3Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 3.19Å; A243-I246 PolarHBondContact O-N 3.16Å; A243-C247 PolarHBondContact O-N 3.17Å; A243-I296 HydrophobicContact CB-CG2 3.86Å; A243-W300 HydrophobicContact CB-CE3 4.09Å; A243-W300 HydrophobicContact CB-CH2 3.54Å; A243-W300 HydrophobicContact CB-CZ2 4.46Å; A243-W300 HydrophobicContact CB-CZ3 3.32Å; A243-I327 HydrophobicContact CB-CD1 3.63Å; A243-I327 HydrophobicContact CB-CG1 3.96Å |
| 244 | E | 98.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 177.5 | -77.8 | -176.3 | 136.2 | 0 | 0 | 112.3 | R216 I240 L241 I246 G248 Y250 W300 | R216-E244 IonicContact CZ-OE1 3.95Å; R216-E244 IonicContact CZ-OE2 3.88Å; R216-E244 IonicContact NH1-OE1 3.27Å; R216-E244 PolarHBondContact NH1-OE1 3.06Å; R216-E244 IonicContact NH1-OE2 3.83Å; R216-E244 PolarHBondContact NH1-OE2 2.82Å; R216-E244 IonicContact NH2-OE1 2.8Å; R216-E244 IonicContact NH2-OE2 3.61Å; R216-E244 PolarHBondContact NH2-OE2 3.46Å; I240-E244 HydrophobicContact CG2-CG 4.25Å; I240-E244 WeakPolarHBondContact O-CB 3.38Å; I240-E244 WeakPolarHBondContact O-CG 3.46Å; I240-E244 PolarHBondContact O-N 3.1Å; L241-E244 PolarHBondContact O-N 3.32Å; E244-I246 PolarHBondContact O-N 2.9Å; E244-G248 VanDerWaalsContact CA-O 3.25Å; E244-G248 WeakPolarHBondContact CA-O 3.44Å; E244-G248 CarbonylContact O-C 3.6Å; E244-G248 WeakPolarHBondContact O-CA 3.47Å; E244-G248 PolarHBondContact O-N 2.93Å; E244-Y250 VanDerWaalsContact OE1-CB 3.24Å; E244-Y250 WeakPolarHBondContact OE1-CB 3.37Å; E244-Y250 PolarHBondContact OE1-N 2.84Å; E244-W300 HydrophobicContact CG-CH2 4.07Å; E244-W300 HydrophobicContact CG-CZ2 3.83Å |
| 245 | N | 97.5 | Very high | 97.7 | Very high | 120 Ų | 120 | 37.4 Ų | 37.4 | 64% | 0.642 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.8 | -22.3 | 175.8 | -78.6 | -57.9 | 0 | 0 | 0 | 113.2 | L241 A242 A243 | L241-N245 PolarHBondContact O-N 3.33Å; L241-N245 PolarHBondContact O-ND2 3.01Å; A242-N245 PolarHBondContact O-N 3.19Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 3.19Å |
| 246 | I | 97.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -92.7 | -54.6 | 179.2 | -62.9 | 160.6 | 0 | 0 | 0 | 110.4 | A242 A243 E244 L323 L326 I327 R330 L402 L405 | A242-I246 WeakPolarHBondContact O-CD1 3.32Å; A242-I246 WeakPolarHBondContact O-CG1 3.42Å; A242-I246 PolarHBondContact O-N 3Å; A243-I246 PolarHBondContact O-N 3.16Å; E244-I246 PolarHBondContact O-N 2.9Å; I246-L323 HydrophobicContact CB-CD1 4.18Å; I246-L323 HydrophobicContact CD1-CD1 4Å; I246-L323 HydrophobicContact CG2-CD1 3.78Å; I246-L326 HydrophobicContact CD1-CB 3.79Å; I246-I327 HydrophobicContact CD1-CG1 4.26Å; I246-R330 HydrophobicContact CD1-CG 4.15Å; I246-L402 HydrophobicContact CG2-CD2 4Å; I246-L405 HydrophobicContact CG2-CD2 3.93Å |
| 247 | C | 97.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -99.5 | -18 | -166.4 | -67.3 | 0 | 0 | 0 | 0 | 114.3 | A243 W300 L323 V409 | A243-C247 PolarHBondContact O-N 3.17Å; C247-W300 HydrophobicContact CB-CB 4.2Å; C247-W300 HydrophobicContact CB-CD2 3.86Å; C247-W300 HydrophobicContact CB-CG 3.57Å; C247-L323 VanDerWaalsContact SG-CD2 3.5Å; C247-V409 HydrophobicContact CB-CG2 4.45Å |
| 248 | G | 96.1 | Very high | 97.8 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | trans | 105 | -178.1 | -169 | 0 | 0 | 0 | 0 | 0 | 112.5 | E244 W300 | E244-G248 VanDerWaalsContact CA-O 3.25Å; E244-G248 WeakPolarHBondContact CA-O 3.44Å; E244-G248 CarbonylContact O-C 3.6Å; E244-G248 WeakPolarHBondContact O-CA 3.47Å; E244-G248 PolarHBondContact O-N 2.93Å; G248-W300 VanDerWaalsContact O-CZ2 3.26Å; G248-W300 WeakPolarHBondContact O-CZ2 3.41Å; G248-W300 PolarHBondContact O-NE1 3.14Å | ||
| 249 | P | 96.8 | Very high | 97.9 | Very high | 95 Ų | 95 | 29.9 Ų | 29.9 | 62% | 0.617 | 17% | 0.169 | S | C | * | . | trans | -61.8 | 148 | -166.9 | 26.9 | -35.9 | 0 | 0 | 0 | 113.3 | W300 | P249-W300 PolarHBondContact O-NE1 3.48Š| ||
| 250 | Y | 98 | Very high | 97.8 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | trans | -75.9 | 123 | 168.5 | 179.9 | -92 | 0 | 0 | 0 | 109.6 | I240 E244 W252 I254 Y255 S299 W300 | I240-Y250 HydrophobicContact CG2-CD2 4.49Å; I240-Y250 HydrophobicContact CG2-CG 4.38Å; E244-Y250 VanDerWaalsContact OE1-CB 3.24Å; E244-Y250 WeakPolarHBondContact OE1-CB 3.37Å; E244-Y250 PolarHBondContact OE1-N 2.84Å; Y250-W252 HydrophobicContact CE1-CB 3.69Å; Y250-W252 HydrophobicContact CE1-CG 4.42Å; Y250-W252 HydrophobicContact CE2-CB 4.34Å; Y250-W252 AromaticContact CE2-CD1 3.57Å; Y250-W252 HydrophobicContact CE2-CG 4.31Å; Y250-W252 AromaticContact CZ-CD1 3.73Å; Y250-W252 WeakPolarHBondContact OH-CB 3.38Å; Y250-I254 PolarHBondContact OH-O 3.44Å; Y250-Y255 AromaticContact CE2-CD2 3.75Å; Y250-Y255 HydrophobicContact CE2-CD2 3.75Å; Y250-Y255 AromaticContact CZ-CD2 3.79Å; Y250-Y255 WeakPolarHBondContact OH-CB 3.45Å; Y250-Y255 VanDerWaalsContact OH-CD2 3.29Å; Y250-Y255 WeakPolarHBondContact OH-CD2 3.39Å; Y250-S299 WeakPolarHBondContact CE2-OG 3.26Å; Y250-W300 HydrophobicContact CD2-CH2 4.02Å; Y250-W300 HydrophobicContact CD2-CZ2 4.45Å | ||
| 251 | V | 97.5 | Very high | 97.7 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 41% | 0.406 | 17% | 0.169 | S | C | . | . | trans | -106.3 | -1.8 | -167.9 | -55.9 | 0 | 0 | 0 | 0 | 115.2 | D253 L304 | V251-D253 VanDerWaalsContact C-N 3.32Å; V251-D253 PolarHBondContact O-N 3.22Å; V251-L304 HydrophobicContact CG2-CD1 3.84Å; V251-L304 HydrophobicContact CG2-CD2 3.79Å; V251-L304 HydrophobicContact CG2-CG 4.22Å | ||
| 252 | W | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -91 | 12.5 | -171.2 | -48.8 | 94.4 | 0 | 0 | 0 | 114.3 | V194 I196 Y250 I254 P272 C273 S299 N303 L304 | V194-W252 HydrophobicContact CB-CE3 3.6Å; V194-W252 HydrophobicContact CB-CH2 4.28Å; V194-W252 HydrophobicContact CB-CZ3 3.45Å; V194-W252 VanDerWaalsContact CB-CZ3 3.45Å; V194-W252 HydrophobicContact CG1-CD2 4.48Å; V194-W252 HydrophobicContact CG1-CE3 3.78Å; V194-W252 HydrophobicContact CG1-CH2 3.63Å; V194-W252 HydrophobicContact CG1-CZ2 4.32Å; V194-W252 HydrophobicContact CG1-CZ3 3.32Å; V194-W252 HydrophobicContact CG2-CE3 3.98Å; V194-W252 HydrophobicContact CG2-CZ3 4.32Å; I196-W252 HydrophobicContact CG2-CH2 3.83Å; I196-W252 HydrophobicContact CG2-CZ3 3.48Å; I196-W252 VanDerWaalsContact CG2-CZ3 3.48Å; Y250-W252 HydrophobicContact CE1-CB 3.69Å; Y250-W252 HydrophobicContact CE1-CG 4.42Å; Y250-W252 HydrophobicContact CE2-CB 4.34Å; Y250-W252 AromaticContact CE2-CD1 3.57Å; Y250-W252 HydrophobicContact CE2-CG 4.31Å; Y250-W252 AromaticContact CZ-CD1 3.73Å; Y250-W252 WeakPolarHBondContact OH-CB 3.38Å; W252-I254 PolarHBondContact O-N 3.46Å; W252-P272 HydrophobicContact CD2-CB 3.79Å; W252-P272 HydrophobicContact CD2-CG 4.43Å; W252-P272 HydrophobicContact CE3-CB 3.37Å; W252-P272 HydrophobicContact CE3-CG 4.03Å; W252-P272 HydrophobicContact CG-CB 4.47Å; W252-P272 HydrophobicContact CH2-CB 4.09Å; W252-P272 HydrophobicContact CH2-CG 3.78Å; W252-P272 HydrophobicContact CZ2-CB 4.47Å; W252-P272 HydrophobicContact CZ2-CG 4.23Å; W252-P272 HydrophobicContact CZ3-CB 3.52Å; W252-P272 HydrophobicContact CZ3-CG 3.66Å; W252-C273 PolarHBondContact O-SG 2.97Å; W252-S299 PolarHBondContact NE1-O 3.5Å; W252-N303 HydrophobicContact CH2-CB 3.91Å; W252-N303 HydrophobicContact CZ2-CB 3.41Å; W252-N303 VanDerWaalsContact CZ2-CB 3.41Å; W252-L304 HydrophobicContact CH2-CD2 4.26Å; W252-L304 HydrophobicContact CZ2-CD2 3.75Å; W252-L304 HydrophobicContact CZ2-CG 3.72Å |
| 253 | D | 95.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 27.9 Ų | 27.9 | 49% | 0.492 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 66.9 | -63 | -179.9 | -162.3 | 4.1 | 0 | 0 | 0 | 114.2 | K173 V251 | K173-D253 WeakPolarHBondContact CD-OD2 3.42Å; K173-D253 WeakPolarHBondContact CE-OD2 3.46Å; K173-D253 IonicContact NZ-OD1 2.82Å; K173-D253 IonicContact NZ-OD2 2.73Å; K173-D253 PolarHBondContact NZ-OD2 2.93Å; V251-D253 VanDerWaalsContact C-N 3.32Å; V251-D253 PolarHBondContact O-N 3.22Å |
| 254 | I | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 20% | 0.2 | 16% | 0.16 | C | C | . | . | trans | -116.6 | 156.4 | -180 | 63.7 | 173.8 | 0 | 0 | 0 | 111.5 | K173 R216 Y250 W252 C273 | K173-I254 HydrophobicContact CB-CD1 4.42Å; R216-I254 WeakPolarHBondContact O-CA 3.41Å; Y250-I254 PolarHBondContact OH-O 3.44Å; W252-I254 PolarHBondContact O-N 3.46Å; I254-C273 HydrophobicContact CD1-CB 4.14Å; I254-C273 HydrophobicContact CG1-CB 3.75Å | ||
| 255 | Y | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 89.2 | 171.3 | -169.4 | -81.8 | 0 | 0 | 0 | 109 | R216 S217 T236 I240 Y250 I257 T275 I292 E295 I296 | R216-Y255 PolarHBondContact O-N 3.48Å; S217-Y255 WeakPolarHBondContact CA-O 3.5Å; S217-Y255 WeakPolarHBondContact CB-O 3.26Å; T236-Y255 HydrophobicContact CG2-CD1 3.77Å; T236-Y255 HydrophobicContact CG2-CE1 4.03Å; I240-Y255 HydrophobicContact CD1-CD1 4.38Å; I240-Y255 HydrophobicContact CD1-CG 4Å; Y250-Y255 AromaticContact CE2-CD2 3.75Å; Y250-Y255 HydrophobicContact CE2-CD2 3.75Å; Y250-Y255 AromaticContact CZ-CD2 3.79Å; Y250-Y255 WeakPolarHBondContact OH-CB 3.45Å; Y250-Y255 VanDerWaalsContact OH-CD2 3.29Å; Y250-Y255 WeakPolarHBondContact OH-CD2 3.39Å; Y255-I257 HydrophobicContact CD1-CD1 4.5Å; Y255-I257 HydrophobicContact CD1-CG1 4.09Å; Y255-I257 HydrophobicContact CE1-CD1 4.03Å; Y255-I257 HydrophobicContact CE1-CG1 3.66Å; Y255-T275 VanDerWaalsContact CZ-OG1 3.24Å; Y255-T275 PolarHBondContact OH-OG1 2.87Å; Y255-I292 HydrophobicContact CE1-CG2 4.47Å; Y255-E295 VanDerWaalsContact OH-C 3.3Å; Y255-E295 VanDerWaalsContact OH-CB 3.27Å; Y255-E295 WeakPolarHBondContact OH-CB 2.92Å; Y255-I296 HydrophobicContact CD2-CG1 4.39Å; Y255-I296 HydrophobicContact CE1-CG1 3.92Å; Y255-I296 HydrophobicContact CE2-CB 4.42Å; Y255-I296 HydrophobicContact CE2-CG1 3.67Å; Y255-I296 VanDerWaalsContact CZ-CG1 3.4Å; Y255-I296 WeakPolarHBondContact OH-CG1 3.4Å; Y255-I296 PolarHBondContact OH-N 3.18Å |
| 256 | D | 98.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 21.9 Ų | 21.9 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 146.2 | 174.9 | -74.6 | -8.9 | 0 | 0 | 0 | 110.9 | S218 W220 C273 L274 T275 | S218-D256 WeakPolarHBondContact CB-OD1 3.15Å; S218-D256 PolarHBondContact N-OD1 3.21Å; S218-D256 CarbonylContact O-C 3.58Å; S218-D256 VanDerWaalsContact O-CA 3.25Å; S218-D256 WeakPolarHBondContact O-CA 3.47Å; S218-D256 PolarHBondContact OG-OD1 2.95Å; W220-D256 PolarHBondContact NE1-OD2 3.46Å; D256-C273 WeakPolarHBondContact CB-O 3.39Å; D256-C273 PolarHBondContact N-O 3.36Å; D256-L274 HydrophobicContact CB-CD1 3.8Å; D256-L274 CarbonylContact O-C 3.59Å; D256-L274 VanDerWaalsContact O-CA 3.3Å; D256-L274 WeakPolarHBondContact O-CA 3.28Å; D256-T275 PolarHBondContact O-N 3.45Å |
| 257 | I | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.2 | 175.9 | -60.8 | 167.6 | 0 | 0 | 0 | 108.1 | I213 S218 V219 W220 F233 T236 Y255 T275 V277 I292 | I213-I257 HydrophobicContact CD1-CD1 4.06Å; S218-I257 PolarHBondContact O-N 3.45Å; V219-I257 CarbonylContact C-O 3.56Å; V219-I257 VanDerWaalsContact CA-O 3.3Å; V219-I257 WeakPolarHBondContact CA-O 3.4Å; V219-I257 HydrophobicContact CG2-CB 4.31Å; V219-I257 HydrophobicContact CG2-CG2 4.4Å; W220-I257 PolarHBondContact N-O 2.97Å; F233-I257 HydrophobicContact CB-CD1 4Å; F233-I257 HydrophobicContact CD2-CD1 4.44Å; F233-I257 HydrophobicContact CD2-CG2 4.13Å; F233-I257 HydrophobicContact CE2-CG2 4.26Å; F233-I257 HydrophobicContact CG-CD1 4.3Å; T236-I257 HydrophobicContact CG2-CD1 4.15Å; T236-I257 WeakPolarHBondContact OG1-CD1 3.32Å; Y255-I257 HydrophobicContact CD1-CD1 4.5Å; Y255-I257 HydrophobicContact CD1-CG1 4.09Å; Y255-I257 HydrophobicContact CE1-CD1 4.03Å; Y255-I257 HydrophobicContact CE1-CG1 3.66Å; I257-T275 CarbonylContact C-O 3.46Å; I257-T275 WeakPolarHBondContact CA-O 3.25Å; I257-V277 HydrophobicContact CG2-CB 4.4Å; I257-V277 HydrophobicContact CG2-CG1 3.98Å; I257-V277 HydrophobicContact CG2-CG2 3.49Å; I257-V277 VanDerWaalsContact CG2-CG2 3.49Å; I257-I292 HydrophobicContact CD1-CD1 3.99Å; I257-I292 HydrophobicContact CD1-CG1 4.38Å; I257-I292 HydrophobicContact CD1-CG2 3.9Å; I257-I292 HydrophobicContact CG2-CD1 4.39Å |
| 258 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.5 | 170.7 | 174 | 61.5 | 0 | 0 | 0 | 110.2 | F130 I169 A204 L208 W220 L260 L274 T275 F276 V277 | F130-L258 HydrophobicContact CZ-CD1 4.45Å; F130-L258 HydrophobicContact CZ-CD2 4.37Å; I169-L258 HydrophobicContact CD1-CB 4.28Å; I169-L258 HydrophobicContact CD1-CD1 3.86Å; I169-L258 HydrophobicContact CD1-CD2 3.82Å; I169-L258 HydrophobicContact CD1-CG 4.19Å; A204-L258 HydrophobicContact CB-CD2 3.42Å; A204-L258 VanDerWaalsContact CB-CD2 3.42Å; L208-L258 HydrophobicContact CD1-CD1 4.41Å; L208-L258 HydrophobicContact CD2-CD1 3.65Å; W220-L258 HydrophobicContact CB-CD1 3.92Å; W220-L258 WeakPolarHBondContact O-CA 3.43Å; L258-L260 HydrophobicContact CD2-CD2 3.58Å; L258-L260 HydrophobicContact CD2-CG 4.33Å; L258-L260 HydrophobicContact CG-CD2 4Å; L258-L260 HydrophobicContact CG-CG 4.32Å; L258-L260 PolarHBondContact O-N 2.91Å; L258-L274 HydrophobicContact CB-CD1 4.08Å; L258-L274 HydrophobicContact CB-CG 4.49Å; L258-T275 PolarHBondContact N-O 3.17Å; L258-F276 HydrophobicContact CB-CD1 3.87Å; L258-F276 HydrophobicContact CB-CE1 4.21Å; L258-F276 HydrophobicContact CD2-CD1 3.78Å; L258-F276 HydrophobicContact CD2-CE1 3.48Å; L258-F276 VanDerWaalsContact CD2-CE1 3.48Å; L258-F276 HydrophobicContact CD2-CZ 4.05Å; L258-F276 HydrophobicContact CG-CD1 4.32Å; L258-F276 HydrophobicContact CG-CE1 4.44Å; L258-V277 PolarHBondContact O-N 3.49Å |
| 259 | V | 98.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114 | 166 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | V219 W220 A221 I225 A229 F233 V277 P279 L282 | V219-V259 HydrophobicContact CG2-CG2 4.2Å; W220-V259 PolarHBondContact O-N 3.3Å; A221-V259 HydrophobicContact CB-CB 3.96Å; A221-V259 HydrophobicContact CB-CG2 4.47Å; I225-V259 HydrophobicContact CG2-CB 4.48Å; I225-V259 HydrophobicContact CG2-CG1 4.1Å; A229-V259 HydrophobicContact CB-CG2 3.56Å; F233-V259 HydrophobicContact CE2-CG2 3.73Å; V259-V277 HydrophobicContact CB-CG2 4.41Å; V259-V277 HydrophobicContact CG2-CG2 3.88Å; V259-P279 HydrophobicContact CG1-CB 3.84Å; V259-L282 HydrophobicContact CG1-CD1 4.23Å |
| 260 | L | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | trans | -79.1 | 165.1 | -179.6 | -73.6 | 173.8 | 0 | 0 | 0 | 112.2 | F130 F132 L258 F264 F276 V277 P279 | F130-L260 HydrophobicContact CE1-CD2 3.79Å; F130-L260 HydrophobicContact CZ-CD2 4.21Å; F132-L260 HydrophobicContact CB-CD2 3.89Å; F132-L260 HydrophobicContact CD1-CD2 3.88Å; F132-L260 HydrophobicContact CD2-CD1 4.01Å; F132-L260 HydrophobicContact CD2-CD2 4.25Å; F132-L260 HydrophobicContact CE1-CD2 4.5Å; F132-L260 HydrophobicContact CE2-CD1 4.11Å; F132-L260 HydrophobicContact CG-CD1 4.33Å; F132-L260 HydrophobicContact CG-CD2 3.74Å; F132-L260 HydrophobicContact CZ-CD1 4.49Å; L258-L260 HydrophobicContact CD2-CD2 3.58Å; L258-L260 HydrophobicContact CD2-CG 4.33Å; L258-L260 HydrophobicContact CG-CD2 4Å; L258-L260 HydrophobicContact CG-CG 4.32Å; L258-L260 PolarHBondContact O-N 2.91Å; L260-F264 HydrophobicContact CB-CB 3.77Å; L260-F264 HydrophobicContact CB-CD1 4.4Å; L260-F264 HydrophobicContact CB-CD2 4.34Å; L260-F264 HydrophobicContact CB-CG 3.94Å; L260-F264 HydrophobicContact CD1-CB 4.18Å; L260-F264 HydrophobicContact CD1-CD1 3.92Å; L260-F264 HydrophobicContact CD1-CD2 3.16Å; L260-F264 HydrophobicContact CD1-CE1 4.01Å; L260-F264 HydrophobicContact CD1-CE2 3.28Å; L260-F264 HydrophobicContact CD1-CG 3.49Å; L260-F264 VanDerWaalsContact CD1-CG 3.49Å; L260-F264 HydrophobicContact CD1-CZ 3.71Å; L260-F264 HydrophobicContact CG-CD2 4.38Å; L260-F264 HydrophobicContact CG-CG 4.37Å; L260-F276 HydrophobicContact CD1-CB 3.73Å; L260-F276 HydrophobicContact CD1-CD2 3.74Å; L260-F276 HydrophobicContact CD1-CG 3.91Å; L260-F276 HydrophobicContact CG-CB 4.32Å; L260-F276 HydrophobicContact CG-CG 4.4Å; L260-V277 PolarHBondContact N-O 3.05Å; L260-P279 VanDerWaalsContact O-CD 3.3Å; L260-P279 WeakPolarHBondContact O-CD 3.38Å; L260-P279 WeakPolarHBondContact O-CG 3.5Å | ||
| 261 | P | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | trans | -57.6 | 160.1 | 174.1 | -30.1 | 40.1 | 0 | 0 | 0 | 113.5 | L118 F130 T263 F264 | L118-P261 HydrophobicContact CD1-CB 3.71Å; L118-P261 HydrophobicContact CD1-CG 3.68Å; F130-P261 HydrophobicContact CB-CG 4.32Å; F130-P261 HydrophobicContact CD1-CG 3.94Å; F130-P261 HydrophobicContact CD2-CG 4.21Å; F130-P261 HydrophobicContact CE1-CG 4.27Å; F130-P261 HydrophobicContact CG-CG 3.91Å; P261-T263 PolarHBondContact O-N 2.98Å; P261-F264 WeakPolarHBondContact O-CB 3.32Å; P261-F264 PolarHBondContact O-N 3.24Å | ||
| 262 | P | 92.4 | Very high | 95.7 | Very high | 39 Ų | 39 | 13.7 Ų | 13.7 | 25% | 0.253 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23 | -175.1 | -28.3 | 36.4 | 0 | 0 | 0 | 115.8 | A124 F264 Q562 G563 | A124-P262 HydrophobicContact CB-CG 4.48Å; P262-F264 VanDerWaalsContact C-N 3.28Å; P262-F264 PolarHBondContact O-N 2.64Å; P262-Q562 CarbonylContact O-C 3.48Å; P262-G563 PolarHBondContact O-N 2.76Å |
| 263 | T | 87.9 | Confident | 95.8 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 5% | 0.049 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11 | -179.6 | 59 | 0 | 0 | 0 | 0 | 113.8 | L122 P261 P265 F595 H597 | L122-T263 HydrophobicContact CB-CG2 4.26Å; L122-T263 HydrophobicContact CD2-CG2 4.32Å; P261-T263 PolarHBondContact O-N 2.98Å; T263-P265 WeakPolarHBondContact O-CD 3.3Å; T263-F595 WeakPolarHBondContact CG2-O 3.37Å; T263-H597 WeakPolarHBondContact O-CB 3.39Å |
| 264 | F | 92.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -56.8 | 121.6 | -177.4 | -175.9 | -121.1 | 0 | 0 | 0 | 111.7 | F132 L260 P261 P262 Y266 F276 | F132-F264 AromaticContact CE2-CD2 3.76Å; F132-F264 HydrophobicContact CE2-CD2 3.76Å; F132-F264 AromaticContact CE2-CE2 3.97Å; F132-F264 HydrophobicContact CE2-CE2 3.97Å; F132-F264 AromaticContact CZ-CD2 3.89Å; F132-F264 HydrophobicContact CZ-CD2 3.89Å; L260-F264 HydrophobicContact CB-CB 3.77Å; L260-F264 HydrophobicContact CB-CD1 4.4Å; L260-F264 HydrophobicContact CB-CD2 4.34Å; L260-F264 HydrophobicContact CB-CG 3.94Å; L260-F264 HydrophobicContact CD1-CB 4.18Å; L260-F264 HydrophobicContact CD1-CD1 3.92Å; L260-F264 HydrophobicContact CD1-CD2 3.16Å; L260-F264 HydrophobicContact CD1-CE1 4.01Å; L260-F264 HydrophobicContact CD1-CE2 3.28Å; L260-F264 HydrophobicContact CD1-CG 3.49Å; L260-F264 VanDerWaalsContact CD1-CG 3.49Å; L260-F264 HydrophobicContact CD1-CZ 3.71Å; L260-F264 HydrophobicContact CG-CD2 4.38Å; L260-F264 HydrophobicContact CG-CG 4.37Å; P261-F264 WeakPolarHBondContact O-CB 3.32Å; P261-F264 PolarHBondContact O-N 3.24Å; P262-F264 VanDerWaalsContact C-N 3.28Å; P262-F264 PolarHBondContact O-N 2.64Å; F264-Y266 WeakPolarHBondContact CD1-O 3.48Å; F264-Y266 HydrophobicContact CD2-CD2 4.4Å; F264-Y266 AromaticContact CE2-CD2 3.67Å; F264-Y266 HydrophobicContact CE2-CD2 3.67Å; F264-Y266 AromaticContact CZ-CD2 3.79Å; F264-Y266 HydrophobicContact CZ-CD2 3.79Å; F264-Y266 HydrophobicContact CZ-CG 4.27Å; F264-F276 HydrophobicContact CZ-CB 4.38Å | ||
| 265 | P | 89.9 | Confident | 95.9 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.013 | 5% | 0.048 | C | C | . | . | trans | -85.2 | -13.3 | -166.4 | 34.5 | -39.2 | 0 | 0 | 0 | 114.2 | T263 G563 R564 M565 H597 T600 | T263-P265 WeakPolarHBondContact O-CD 3.3Å; P265-G563 WeakPolarHBondContact CA-O 3.3Å; P265-R564 CarbonylContact O-C 3.55Å; P265-R564 WeakPolarHBondContact O-CA 3.29Å; P265-M565 HydrophobicContact CB-CE 4.14Å; P265-M565 HydrophobicContact CB-CG 3.9Å; P265-M565 HydrophobicContact CB-SD 4.35Å; P265-M565 PolarHBondContact O-N 2.89Å; P265-H597 HydrophobicContact CB-CB 4.27Å; P265-H597 HydrophobicContact CG-CB 4.33Å; P265-T600 WeakPolarHBondContact CB-OG1 3.16Å | ||
| 266 | Y | 91.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 7.7 Ų | 7.7 | 13% | 0.125 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -103.9 | 173.2 | -175.8 | -49.6 | -70 | 0 | 0 | 0 | 112.2 | Q134 F264 S278 M565 | Q134-Y266 HydrophobicContact CG-CD2 4.36Å; Q134-Y266 HydrophobicContact CG-CE2 3.64Å; F264-Y266 WeakPolarHBondContact CD1-O 3.48Å; F264-Y266 HydrophobicContact CD2-CD2 4.4Å; F264-Y266 AromaticContact CE2-CD2 3.67Å; F264-Y266 HydrophobicContact CE2-CD2 3.67Å; F264-Y266 AromaticContact CZ-CD2 3.79Å; F264-Y266 HydrophobicContact CZ-CD2 3.79Å; F264-Y266 HydrophobicContact CZ-CG 4.27Å; Y266-S278 WeakPolarHBondContact O-CB 3.4Å; Y266-M565 HydrophobicContact CD1-CE 3.88Å; Y266-M565 HydrophobicContact CE1-CE 3.38Å |
| 267 | G | 92 | Very high | 95.9 | Very high | 9 Ų | 9 | 6.7 Ų | 6.7 | 9% | 0.093 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -77.9 | -51.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S278 | G267-S278 WeakPolarHBondContact O-CB 3.36Å; G267-S278 PolarHBondContact O-N 3.44Å |
| 268 | G | 95.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 6.7 Ų | 6.7 | 18% | 0.175 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 179.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | F276 E295 | G268-F276 CarbonylContact C-O 3.59Å; G268-F276 WeakPolarHBondContact CA-O 3.43Å; G268-E295 WeakPolarHBondContact CA-OE1 3.46Å |
| 269 | M | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 129.5 | 171.5 | -179 | 69.3 | -147.6 | 0 | 0 | 108.2 | Q134 Q136 Y199 L200 N271 F276 | Q134-M269 PolarHBondContact NE2-SD 3.15Å; Q136-M269 HydrophobicContact CB-CE 3.61Å; Q136-M269 HydrophobicContact CB-SD 3.82Å; Q136-M269 HydrophobicContact CG-CE 4.27Å; Y199-M269 HydrophobicContact CD2-CE 3.83Å; Y199-M269 HydrophobicContact CE2-CE 3.8Å; L200-M269 HydrophobicContact CD2-CE 3.84Å; M269-N271 VanDerWaalsContact CG-ND2 3.35Å; M269-N271 WeakPolarHBondContact CG-ND2 3.42Å; M269-N271 WeakPolarHBondContact CG-OD1 3.31Å; M269-N271 PolarHBondContact O-N 3.42Å; M269-F276 HydrophobicContact CB-CB 4.16Å; M269-F276 PolarHBondContact N-O 3.43Å; M269-F276 PolarHBondContact O-N 3.34Å |
| 270 | E | 97.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 8.4 Ų | 8.4 | 3% | 0.033 | 5% | 0.054 | C | C | . | . | trans | -81.6 | 24.8 | -161.3 | 73.8 | -81.8 | -168.6 | 0 | 0 | 115.2 | Q136 Y199 L200 P272 E295 H298 N303 | Q136-E270 PolarHBondContact NE2-OE1 3.41Å; Y199-E270 VanDerWaalsContact CE2-OE1 3.31Å; Y199-E270 WeakPolarHBondContact CE2-OE1 3.47Å; Y199-E270 PolarHBondContact OH-OE1 2.77Å; L200-E270 HydrophobicContact CD2-CG 3.92Å; E270-P272 WeakPolarHBondContact O-CD 3.35Å; E270-E295 WeakPolarHBondContact CA-OE2 3.1Å; E270-E295 PolarHBondContact N-OE2 3.16Å; E270-H298 HydrophobicContact CB-CB 3.35Å; E270-H298 VanDerWaalsContact CB-CD2 3.45Å; E270-H298 WeakPolarHBondContact CB-CD2 3.3Å; E270-H298 VanDerWaalsContact CB-CG 3.44Å; E270-H298 HydrophobicContact CG-CB 3.72Å; E270-N303 VanDerWaalsContact CG-OD1 3.28Å; E270-N303 WeakPolarHBondContact CG-OD1 3.3Å; E270-N303 PolarHBondContact O-ND2 3.16Å | ||
| 271 | N | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | trans | -57.2 | 123.7 | -171.8 | -50.1 | -60.6 | 0 | 0 | 0 | 111 | A202 M269 C273 L274 T275 | A202-N271 HydrophobicContact CB-CB 3.49Å; A202-N271 VanDerWaalsContact CB-CB 3.49Å; A202-N271 WeakPolarHBondContact CB-ND2 3.44Å; M269-N271 VanDerWaalsContact CG-ND2 3.35Å; M269-N271 WeakPolarHBondContact CG-ND2 3.42Å; M269-N271 WeakPolarHBondContact CG-OD1 3.31Å; M269-N271 PolarHBondContact O-N 3.42Å; N271-C273 PolarHBondContact O-N 2.91Å; N271-L274 WeakPolarHBondContact CB-O 3.37Å; N271-L274 CarbonylContact O-C 3.59Å; N271-L274 PolarHBondContact O-N 3.45Å; N271-L274 VanDerWaalsContact O-N 3.09Å; N271-T275 PolarHBondContact O-N 2.94Å | ||
| 272 | P | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 142.6 | -179.3 | -27.4 | 35.5 | 0 | 0 | 0 | 112.4 | G171 I196 L200 W252 E270 L274 N303 | G171-P272 CarbonylContact C-O 3.47Å; G171-P272 WeakPolarHBondContact CA-O 3.46Å; I196-P272 HydrophobicContact CG2-CB 4.47Å; I196-P272 HydrophobicContact CG2-CG 3.89Å; L200-P272 HydrophobicContact CD1-CG 4.01Å; W252-P272 HydrophobicContact CD2-CB 3.79Å; W252-P272 HydrophobicContact CD2-CG 4.43Å; W252-P272 HydrophobicContact CE3-CB 3.37Å; W252-P272 HydrophobicContact CE3-CG 4.03Å; W252-P272 HydrophobicContact CG-CB 4.47Å; W252-P272 HydrophobicContact CH2-CB 4.09Å; W252-P272 HydrophobicContact CH2-CG 3.78Å; W252-P272 HydrophobicContact CZ2-CB 4.47Å; W252-P272 HydrophobicContact CZ2-CG 4.23Å; W252-P272 HydrophobicContact CZ3-CB 3.52Å; W252-P272 HydrophobicContact CZ3-CG 3.66Å; E270-P272 WeakPolarHBondContact O-CD 3.35Å; P272-L274 PolarHBondContact O-N 2.63Å; P272-N303 HydrophobicContact CG-CB 4.16Å |
| 273 | C | 98.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 8 Ų | 8 | 3% | 0.034 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -16.9 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 115.8 | Q192 W252 I254 D256 N271 | Q192-C273 PolarHBondContact NE2-SG 3.14Å; W252-C273 PolarHBondContact O-SG 2.97Å; I254-C273 HydrophobicContact CD1-CB 4.14Å; I254-C273 HydrophobicContact CG1-CB 3.75Å; D256-C273 WeakPolarHBondContact CB-O 3.39Å; D256-C273 PolarHBondContact N-O 3.36Å; N271-C273 PolarHBondContact O-N 2.91Å |
| 274 | L | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 77.1 | -178 | -171.5 | 63.6 | 0 | 0 | 0 | 112.6 | I169 M170 D256 L258 N271 P272 F276 | I169-L274 HydrophobicContact CB-CD2 3.92Å; I169-L274 HydrophobicContact CD1-CD1 4Å; I169-L274 HydrophobicContact CD1-CD2 3.89Å; I169-L274 HydrophobicContact CG1-CD2 3.77Å; M170-L274 VanDerWaalsContact C-CD2 3.46Å; M170-L274 WeakPolarHBondContact O-CB 3.15Å; D256-L274 HydrophobicContact CB-CD1 3.8Å; D256-L274 CarbonylContact O-C 3.59Å; D256-L274 VanDerWaalsContact O-CA 3.3Å; D256-L274 WeakPolarHBondContact O-CA 3.28Å; L258-L274 HydrophobicContact CB-CD1 4.08Å; L258-L274 HydrophobicContact CB-CG 4.49Å; N271-L274 WeakPolarHBondContact CB-O 3.37Å; N271-L274 CarbonylContact O-C 3.59Å; N271-L274 PolarHBondContact O-N 3.45Å; N271-L274 VanDerWaalsContact O-N 3.09Å; P272-L274 PolarHBondContact O-N 2.63Å; L274-F276 HydrophobicContact CD2-CE1 3.66Å; L274-F276 HydrophobicContact CD2-CZ 4.47Å; L274-F276 HydrophobicContact CG-CD1 4.19Å; L274-F276 HydrophobicContact CG-CE1 3.78Å; L274-F276 WeakPolarHBondContact O-CD1 3.35Å; L274-F276 PolarHBondContact O-N 3.26Å |
| 275 | T | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 126.8 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | Y255 D256 I257 L258 N271 V277 E295 | Y255-T275 VanDerWaalsContact CZ-OG1 3.24Å; Y255-T275 PolarHBondContact OH-OG1 2.87Å; D256-T275 PolarHBondContact O-N 3.45Å; I257-T275 CarbonylContact C-O 3.46Å; I257-T275 WeakPolarHBondContact CA-O 3.25Å; L258-T275 PolarHBondContact N-O 3.17Å; N271-T275 PolarHBondContact O-N 2.94Å; T275-V277 HydrophobicContact CG2-CG1 3.88Å; T275-E295 HydrophobicContact CG2-CB 3.41Å; T275-E295 VanDerWaalsContact CG2-CB 3.41Å; T275-E295 HydrophobicContact CG2-CG 3.47Å; T275-E295 VanDerWaalsContact CG2-CG 3.47Å |
| 276 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139.8 | 172 | -69 | -2.5 | 0 | 0 | 0 | 109.5 | F132 S133 A202 A204 L258 L260 F264 G268 M269 L274 | F132-F276 HydrophobicContact CB-CE2 4.03Å; F132-F276 HydrophobicContact CB-CZ 4.42Å; F132-F276 HydrophobicContact CD2-CD2 4.48Å; F132-F276 HydrophobicContact CD2-CE2 4.26Å; S133-F276 VanDerWaalsContact O-CE2 3.24Å; S133-F276 WeakPolarHBondContact O-CE2 3.48Å; A202-F276 HydrophobicContact CB-CE1 4.43Å; A202-F276 HydrophobicContact CB-CZ 4.09Å; A204-F276 HydrophobicContact CB-CE1 4.43Å; A204-F276 HydrophobicContact CB-CZ 4.03Å; L258-F276 HydrophobicContact CB-CD1 3.87Å; L258-F276 HydrophobicContact CB-CE1 4.21Å; L258-F276 HydrophobicContact CD2-CD1 3.78Å; L258-F276 HydrophobicContact CD2-CE1 3.48Å; L258-F276 VanDerWaalsContact CD2-CE1 3.48Å; L258-F276 HydrophobicContact CD2-CZ 4.05Å; L258-F276 HydrophobicContact CG-CD1 4.32Å; L258-F276 HydrophobicContact CG-CE1 4.44Å; L260-F276 HydrophobicContact CD1-CB 3.73Å; L260-F276 HydrophobicContact CD1-CD2 3.74Å; L260-F276 HydrophobicContact CD1-CG 3.91Å; L260-F276 HydrophobicContact CG-CB 4.32Å; L260-F276 HydrophobicContact CG-CG 4.4Å; F264-F276 HydrophobicContact CZ-CB 4.38Å; G268-F276 CarbonylContact C-O 3.59Å; G268-F276 WeakPolarHBondContact CA-O 3.43Å; M269-F276 HydrophobicContact CB-CB 4.16Å; M269-F276 PolarHBondContact N-O 3.43Å; M269-F276 PolarHBondContact O-N 3.34Å; L274-F276 HydrophobicContact CD2-CE1 3.66Å; L274-F276 HydrophobicContact CD2-CZ 4.47Å; L274-F276 HydrophobicContact CG-CD1 4.19Å; L274-F276 HydrophobicContact CG-CE1 3.78Å; L274-F276 WeakPolarHBondContact O-CD1 3.35Å; L274-F276 PolarHBondContact O-N 3.26Å |
| 277 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.7 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | F233 I257 L258 V259 L260 T275 L281 I292 | F233-V277 HydrophobicContact CE2-CG2 4.04Å; F233-V277 HydrophobicContact CZ-CG2 4.18Å; I257-V277 HydrophobicContact CG2-CB 4.4Å; I257-V277 HydrophobicContact CG2-CG1 3.98Å; I257-V277 HydrophobicContact CG2-CG2 3.49Å; I257-V277 VanDerWaalsContact CG2-CG2 3.49Å; L258-V277 PolarHBondContact O-N 3.49Å; V259-V277 HydrophobicContact CB-CG2 4.41Å; V259-V277 HydrophobicContact CG2-CG2 3.88Å; L260-V277 PolarHBondContact N-O 3.05Å; T275-V277 HydrophobicContact CG2-CG1 3.88Å; V277-L281 HydrophobicContact CB-CD1 3.83Å; V277-L281 HydrophobicContact CG1-CD1 4.22Å; V277-I292 HydrophobicContact CG1-CD1 3.76Å |
| 278 | S | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -70.8 | 141.8 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 112 | Y266 G267 T280 L281 | Y266-S278 WeakPolarHBondContact O-CB 3.4Å; G267-S278 WeakPolarHBondContact O-CB 3.36Å; G267-S278 PolarHBondContact O-N 3.44Å; S278-T280 WeakPolarHBondContact CB-OG1 3.04Å; S278-T280 PolarHBondContact O-N 3.32Å; S278-T280 VanDerWaalsContact O-N 3.17Å; S278-T280 PolarHBondContact OG-N 3.32Å; S278-T280 PolarHBondContact OG-OG1 3.48Å; S278-L281 WeakPolarHBondContact O-CB 3.39Å; S278-L281 WeakPolarHBondContact O-CG 3.42Å; S278-L281 PolarHBondContact O-N 3.05Å | ||
| 279 | P | 95.7 | Very high | 97 | Very high | 28 Ų | 28 | 14.5 Ų | 14.5 | 18% | 0.182 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -67.3 | -13.1 | 170.6 | 27.1 | -31.5 | 0 | 0 | 0 | 112.6 | V259 L260 L281 L282 | V259-P279 HydrophobicContact CG1-CB 3.84Å; L260-P279 VanDerWaalsContact O-CD 3.3Å; L260-P279 WeakPolarHBondContact O-CD 3.38Å; L260-P279 WeakPolarHBondContact O-CG 3.5Å; P279-L281 PolarHBondContact O-N 3.05Å; P279-L282 WeakPolarHBondContact O-CB 3.32Å; P279-L282 WeakPolarHBondContact O-CG 3.4Å; P279-L282 PolarHBondContact O-N 3.32Å; P279-L282 VanDerWaalsContact O-N 3.07Å |
| 280 | T | 96.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 15.7 Ų | 15.7 | 7% | 0.074 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -64.7 | -14.1 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | S278 L282 L288 Q562 R564 Y567 | S278-T280 WeakPolarHBondContact CB-OG1 3.04Å; S278-T280 PolarHBondContact O-N 3.32Å; S278-T280 VanDerWaalsContact O-N 3.17Å; S278-T280 PolarHBondContact OG-N 3.32Å; S278-T280 PolarHBondContact OG-OG1 3.48Å; T280-L282 VanDerWaalsContact C-N 3.28Å; T280-L288 WeakPolarHBondContact O-CD1 3.29Å; T280-Q562 HydrophobicContact CG2-CB 3.62Å; T280-Q562 HydrophobicContact CG2-CG 3.83Å; T280-R564 HydrophobicContact CG2-CB 4.3Å; T280-Y567 HydrophobicContact CG2-CD2 4.33Å; T280-Y567 HydrophobicContact CG2-CE2 4.06Å |
| 281 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -78.1 | -11 | 173.5 | -55.5 | -175.8 | 0 | 0 | 0 | 113.1 | E232 F233 V277 S278 P279 A283 L288 V291 | E232-L281 WeakPolarHBondContact CG-O 3.42Å; F233-L281 HydrophobicContact CE1-CB 4.19Å; F233-L281 HydrophobicContact CZ-CB 4Å; F233-L281 HydrophobicContact CZ-CD1 4.49Å; V277-L281 HydrophobicContact CB-CD1 3.83Å; V277-L281 HydrophobicContact CG1-CD1 4.22Å; S278-L281 WeakPolarHBondContact O-CB 3.39Å; S278-L281 WeakPolarHBondContact O-CG 3.42Å; S278-L281 PolarHBondContact O-N 3.05Å; P279-L281 PolarHBondContact O-N 3.05Å; L281-A283 PolarHBondContact O-N 3.32Å; L281-L288 HydrophobicContact CD2-CB 4.18Å; L281-V291 HydrophobicContact CD1-CB 3.84Å; L281-V291 HydrophobicContact CD1-CG1 3.65Å; L281-V291 HydrophobicContact CD1-CG2 4.49Å; L281-V291 HydrophobicContact CD2-CB 4Å; L281-V291 HydrophobicContact CD2-CG1 4.22Å; L281-V291 HydrophobicContact CD2-CG2 3.71Å |
| 282 | L | 97.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 16.1 Ų | 16.1 | 17% | 0.168 | 9% | 0.094 | C | C | . | . | trans | -79.6 | 66.3 | 179.1 | -57.1 | -178 | 0 | 0 | 0 | 111.4 | I225 A229 E232 F233 V259 P279 T280 G284 | I225-L282 HydrophobicContact CG2-CD1 3.52Å; A229-L282 HydrophobicContact CB-CD2 4.04Å; E232-L282 HydrophobicContact CB-CD2 3.84Å; E232-L282 HydrophobicContact CG-CD2 4.06Å; F233-L282 HydrophobicContact CE2-CD2 3.93Å; F233-L282 HydrophobicContact CZ-CD2 3.89Å; V259-L282 HydrophobicContact CG1-CD1 4.23Å; P279-L282 WeakPolarHBondContact O-CB 3.32Å; P279-L282 WeakPolarHBondContact O-CG 3.4Å; P279-L282 PolarHBondContact O-N 3.32Å; P279-L282 VanDerWaalsContact O-N 3.07Å; T280-L282 VanDerWaalsContact C-N 3.28Å; L282-G284 VanDerWaalsContact C-N 3.26Å; L282-G284 PolarHBondContact O-N 3.43Å | ||
| 283 | A | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | trans | -70.1 | -24 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E232 L281 D285 L288 K531 N532 | E232-A283 PolarHBondContact OE1-N 3.24Å; L281-A283 PolarHBondContact O-N 3.32Å; A283-D285 VanDerWaalsContact C-N 3.3Å; A283-D285 WeakPolarHBondContact CB-OD1 3.49Å; A283-L288 HydrophobicContact CB-CD1 4.33Å; A283-L288 HydrophobicContact CB-CG 4.36Å; A283-K531 WeakPolarHBondContact O-CB 3.39Å; A283-K531 WeakPolarHBondContact O-CD 3.36Å; A283-N532 HydrophobicContact CB-CB 4.32Å | ||
| 284 | G | 97.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 16.6 Ų | 16.6 | 39% | 0.392 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 82.7 | 6.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y231 E232 L282 | Y231-G284 WeakPolarHBondContact CE1-O 3.47Å; E232-G284 PolarHBondContact OE1-N 2.96Å; E232-G284 WeakPolarHBondContact OE2-CA 3.18Å; E232-G284 PolarHBondContact OE2-N 3.18Å; L282-G284 VanDerWaalsContact C-N 3.26Å; L282-G284 PolarHBondContact O-N 3.43Å |
| 285 | D | 96.3 | Very high | 96.7 | Very high | 84 Ų | 84 | 17 Ų | 17 | 45% | 0.449 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -139.2 | 8.2 | 178.4 | 68.5 | -3.4 | 0 | 0 | 0 | 113.1 | A283 S287 | A283-D285 VanDerWaalsContact C-N 3.3Å; A283-D285 WeakPolarHBondContact CB-OD1 3.49Å; D285-S287 PolarHBondContact O-N 2.78Å; D285-S287 WeakPolarHBondContact OD1-CB 3.33Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 2.78Å |
| 286 | R | 95.9 | Very high | 96.7 | Very high | 69 Ų | 69 | 16.8 Ų | 16.8 | 26% | 0.26 | 10% | 0.097 | S | C | . | . | S | Bend | trans | 65.9 | 9.9 | -179.6 | -48.5 | -176 | -176.4 | 154.2 | 3.3 | 115 | Y231 E232 S234 E235 L288 A289 | Y231-R286 PolarHBondContact O-NE 3.32Å; Y231-R286 VanDerWaalsContact O-NE 3.08Å; Y231-R286 PolarHBondContact O-NH2 3.03Å; E232-R286 WeakPolarHBondContact O-CG 3.31Å; E232-R286 WeakPolarHBondContact OE1-CA 3.32Å; E232-R286 PolarHBondContact OE1-N 3.03Å; S234-R286 PolarHBondContact OG-NH2 2.77Å; E235-R286 IonicContact OE1-CZ 2.84Å; E235-R286 IonicContact OE1-NH1 3.84Å; E235-R286 PolarHBondContact OE1-NH1 3.49Å; R286-L288 PolarHBondContact O-N 3.39Å; R286-A289 HydrophobicContact CB-CB 4.12Å; R286-A289 VanDerWaalsContact O-CB 3.29Å; R286-A289 WeakPolarHBondContact O-CB 3.24Å; R286-A289 PolarHBondContact O-N 2.9Å |
| 287 | S | 95.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.2 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | D285 H497 N532 | D285-S287 PolarHBondContact O-N 2.78Å; D285-S287 WeakPolarHBondContact OD1-CB 3.33Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 2.78Å; S287-H497 PolarHBondContact O-CD2 2.9Å; S287-H497 PolarHBondContact O-NE2 3.26Å; S287-N532 WeakPolarHBondContact CB-ND2 3.39Å; S287-N532 PolarHBondContact OG-ND2 2.88Å |
| 288 | L | 96.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 10 | 174 | -62.1 | 178.6 | 0 | 0 | 0 | 112.4 | T280 L281 A283 R286 N290 V291 A533 E534 | T280-L288 WeakPolarHBondContact O-CD1 3.29Å; L281-L288 HydrophobicContact CD2-CB 4.18Å; A283-L288 HydrophobicContact CB-CD1 4.33Å; A283-L288 HydrophobicContact CB-CG 4.36Å; R286-L288 PolarHBondContact O-N 3.39Å; L288-N290 PolarHBondContact O-N 2.93Å; L288-V291 PolarHBondContact O-N 3.32Å; L288-A533 HydrophobicContact CD1-CB 4.43Å; L288-E534 HydrophobicContact CD2-CB 4.09Å; L288-E534 HydrophobicContact CD2-CG 3.46Å; L288-E534 VanDerWaalsContact CD2-CG 3.46Å |
| 289 | A | 92.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M239 R286 V291 I292 | M239-A289 HydrophobicContact CE-CB 4.05Å; M239-A289 WeakPolarHBondContact CE-O 3.47Å; R286-A289 HydrophobicContact CB-CB 4.12Å; R286-A289 VanDerWaalsContact O-CB 3.29Å; R286-A289 WeakPolarHBondContact O-CB 3.24Å; R286-A289 PolarHBondContact O-N 2.9Å; A289-V291 PolarHBondContact O-N 2.98Å; A289-I292 WeakPolarHBondContact O-CA 3.21Å; A289-I292 VanDerWaalsContact O-CB 3.25Å; A289-I292 WeakPolarHBondContact O-CB 3.23Å; A289-I292 PolarHBondContact O-N 3.21Å |
| 290 | N | 92.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 15.9 Ų | 15.9 | 14% | 0.139 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -26.3 | 172.9 | 73.4 | -68.1 | 0 | 0 | 0 | 112.4 | L288 I292 A293 H294 E324 E328 | L288-N290 PolarHBondContact O-N 2.93Å; N290-I292 PolarHBondContact O-N 3.3Å; N290-A293 WeakPolarHBondContact O-CA 3.4Å; N290-A293 VanDerWaalsContact O-CB 3.3Å; N290-A293 WeakPolarHBondContact O-CB 3.45Å; N290-A293 PolarHBondContact O-N 3.01Å; N290-H294 PolarHBondContact O-N 2.92Å; N290-E324 PolarHBondContact ND2-OE1 3.35Å; N290-E328 WeakPolarHBondContact CA-OE1 3.4Å; N290-E328 WeakPolarHBondContact CB-OE1 3.41Å |
| 291 | V | 96.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 12% | 0.121 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -33.9 | 171.9 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | L281 L288 A289 A293 H294 E295 | L281-V291 HydrophobicContact CD1-CB 3.84Å; L281-V291 HydrophobicContact CD1-CG1 3.65Å; L281-V291 HydrophobicContact CD1-CG2 4.49Å; L281-V291 HydrophobicContact CD2-CB 4Å; L281-V291 HydrophobicContact CD2-CG1 4.22Å; L281-V291 HydrophobicContact CD2-CG2 3.71Å; L288-V291 PolarHBondContact O-N 3.32Å; A289-V291 PolarHBondContact O-N 2.98Å; V291-A293 VanDerWaalsContact C-N 3.3Å; V291-A293 PolarHBondContact O-N 2.85Å; V291-H294 VanDerWaalsContact O-CB 3.25Å; V291-H294 WeakPolarHBondContact O-CB 3.22Å; V291-H294 PolarHBondContact O-N 2.95Å; V291-H294 VanDerWaalsContact O-N 3.16Å; V291-E295 HydrophobicContact CG1-CG 4.47Å; V291-E295 WeakPolarHBondContact O-CG 3.46Å; V291-E295 PolarHBondContact O-N 2.98Å |
| 292 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 172.7 | -54.9 | -52.8 | 0 | 0 | 0 | 111.4 | F233 T236 M239 Y255 I257 V277 A289 N290 H294 E295 I296 | F233-I292 HydrophobicContact CD1-CD1 3.86Å; F233-I292 HydrophobicContact CD1-CG1 3.42Å; F233-I292 VanDerWaalsContact CD1-CG1 3.42Å; F233-I292 HydrophobicContact CE1-CD1 3.86Å; F233-I292 HydrophobicContact CE1-CG1 3.76Å; F233-I292 HydrophobicContact CG-CD1 4.28Å; F233-I292 HydrophobicContact CG-CG1 4.08Å; F233-I292 HydrophobicContact CZ-CD1 4.29Å; T236-I292 HydrophobicContact CG2-CG2 4.31Å; M239-I292 HydrophobicContact SD-CB 3.91Å; M239-I292 HydrophobicContact SD-CG2 3.96Å; Y255-I292 HydrophobicContact CE1-CG2 4.47Å; I257-I292 HydrophobicContact CD1-CD1 3.99Å; I257-I292 HydrophobicContact CD1-CG1 4.38Å; I257-I292 HydrophobicContact CD1-CG2 3.9Å; I257-I292 HydrophobicContact CG2-CD1 4.39Å; V277-I292 HydrophobicContact CG1-CD1 3.76Å; A289-I292 WeakPolarHBondContact O-CA 3.21Å; A289-I292 VanDerWaalsContact O-CB 3.25Å; A289-I292 WeakPolarHBondContact O-CB 3.23Å; A289-I292 PolarHBondContact O-N 3.21Å; N290-I292 PolarHBondContact O-N 3.3Å; I292-H294 VanDerWaalsContact C-N 3.31Å; I292-H294 PolarHBondContact O-N 3.44Å; I292-E295 PolarHBondContact O-N 3.05Å; I292-I296 HydrophobicContact CG2-CD1 3.77Å; I292-I296 HydrophobicContact CG2-CG1 4.27Å; I292-I296 WeakPolarHBondContact O-CB 3.4Å; I292-I296 WeakPolarHBondContact O-CD1 3.43Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 3.35Å |
| 293 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | M239 N290 V291 I296 A297 E324 I327 | M239-A293 HydrophobicContact CG-CB 4.25Å; M239-A293 HydrophobicContact SD-CB 4.11Å; N290-A293 WeakPolarHBondContact O-CA 3.4Å; N290-A293 VanDerWaalsContact O-CB 3.3Å; N290-A293 WeakPolarHBondContact O-CB 3.45Å; N290-A293 PolarHBondContact O-N 3.01Å; V291-A293 VanDerWaalsContact C-N 3.3Å; V291-A293 PolarHBondContact O-N 2.85Å; A293-I296 PolarHBondContact O-N 3.34Å; A293-A297 WeakPolarHBondContact O-CB 3.31Å; A293-A297 PolarHBondContact O-N 3.22Å; A293-E324 HydrophobicContact CB-CG 4.46Å; A293-I327 HydrophobicContact CB-CB 4.42Å; A293-I327 HydrophobicContact CB-CG2 3.84Å |
| 294 | H | 98.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 14.4 Ų | 14.4 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -51.8 | 171.4 | -175.7 | 95.2 | 0 | 0 | 0 | 111.7 | N290 V291 I292 I296 A297 H298 E317 T320 E324 | N290-H294 PolarHBondContact O-N 2.92Å; V291-H294 VanDerWaalsContact O-CB 3.25Å; V291-H294 WeakPolarHBondContact O-CB 3.22Å; V291-H294 PolarHBondContact O-N 2.95Å; V291-H294 VanDerWaalsContact O-N 3.16Å; I292-H294 VanDerWaalsContact C-N 3.31Å; I292-H294 PolarHBondContact O-N 3.44Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.94Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.41Å; H294-A297 VanDerWaalsContact O-N 3.1Å; H294-H298 AromaticContact CD2-CD2 3.76Å; H294-H298 AromaticContact CD2-NE2 3.74Å; H294-H298 AromaticContact NE2-CD2 3.81Å; H294-H298 AromaticContact NE2-NE2 3.29Å; H294-H298 PolarHBondContact NE2-NE2 3.28Å; H294-H298 PolarHBondContact O-N 2.91Å; H294-E317 IonicContact CE1-OE2 2.81Å; H294-E317 IonicContact NE2-OE2 3.58Å; H294-T320 WeakPolarHBondContact O-CG2 3.45Å; H294-E324 HydrophobicContact CB-CB 4.42Å; H294-E324 HydrophobicContact CB-CG 4.02Å; H294-E324 WeakPolarHBondContact CB-OE2 3.49Å; H294-E324 IonicContact CE1-OE2 2.77Å; H294-E324 IonicContact CG-OE2 3.49Å; H294-E324 IonicContact ND1-OE2 2.78Å; H294-E324 PolarHBondContact ND1-OE2 2.98Å |
| 295 | E | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 12.6 Ų | 12.6 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 179.4 | -56.8 | -51.4 | 150.7 | 0 | 0 | 112.3 | Y255 G268 E270 T275 V291 I292 H298 | Y255-E295 VanDerWaalsContact OH-C 3.3Å; Y255-E295 VanDerWaalsContact OH-CB 3.27Å; Y255-E295 WeakPolarHBondContact OH-CB 2.92Å; G268-E295 WeakPolarHBondContact CA-OE1 3.46Å; E270-E295 WeakPolarHBondContact CA-OE2 3.1Å; E270-E295 PolarHBondContact N-OE2 3.16Å; T275-E295 HydrophobicContact CG2-CB 3.41Å; T275-E295 VanDerWaalsContact CG2-CB 3.41Å; T275-E295 HydrophobicContact CG2-CG 3.47Å; T275-E295 VanDerWaalsContact CG2-CG 3.47Å; V291-E295 HydrophobicContact CG1-CG 4.47Å; V291-E295 WeakPolarHBondContact O-CG 3.46Å; V291-E295 PolarHBondContact O-N 2.98Å; I292-E295 PolarHBondContact O-N 3.05Å; E295-H298 WeakPolarHBondContact O-CB 3.39Å; E295-H298 PolarHBondContact O-N 2.98Å; E295-H298 IonicContact OE2-CD2 2.9Å |
| 296 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 172.8 | -74.1 | 165.1 | 0 | 0 | 0 | 110.3 | T236 M239 I240 A243 Y255 I292 A293 H294 H298 S299 W300 | T236-I296 HydrophobicContact CG2-CD1 4.19Å; M239-I296 HydrophobicContact CB-CD1 3.34Å; M239-I296 HydrophobicContact CG-CD1 4.4Å; M239-I296 HydrophobicContact SD-CD1 4.25Å; I240-I296 HydrophobicContact CG1-CD1 3.76Å; I240-I296 HydrophobicContact CG1-CG1 4.05Å; I240-I296 HydrophobicContact CG1-CG2 4.18Å; A243-I296 HydrophobicContact CB-CG2 3.86Å; Y255-I296 HydrophobicContact CD2-CG1 4.39Å; Y255-I296 HydrophobicContact CE1-CG1 3.92Å; Y255-I296 HydrophobicContact CE2-CB 4.42Å; Y255-I296 HydrophobicContact CE2-CG1 3.67Å; Y255-I296 VanDerWaalsContact CZ-CG1 3.4Å; Y255-I296 WeakPolarHBondContact OH-CG1 3.4Å; Y255-I296 PolarHBondContact OH-N 3.18Å; I292-I296 HydrophobicContact CG2-CD1 3.77Å; I292-I296 HydrophobicContact CG2-CG1 4.27Å; I292-I296 WeakPolarHBondContact O-CB 3.4Å; I292-I296 WeakPolarHBondContact O-CD1 3.43Å; I292-I296 WeakPolarHBondContact O-CG1 3.37Å; I292-I296 PolarHBondContact O-N 3.35Å; A293-I296 PolarHBondContact O-N 3.34Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.94Å; I296-H298 PolarHBondContact O-N 3.31Å; I296-S299 WeakPolarHBondContact O-CB 3.36Å; I296-S299 PolarHBondContact O-N 3.06Å; I296-S299 PolarHBondContact O-OG 2.84Å; I296-W300 HydrophobicContact CG2-CZ3 3.88Å; I296-W300 WeakPolarHBondContact O-CZ3 3.45Å |
| 297 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -55.6 | -36.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A293 H294 S299 W300 T301 T320 L323 I327 | A293-A297 WeakPolarHBondContact O-CB 3.31Å; A293-A297 PolarHBondContact O-N 3.22Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.41Å; H294-A297 VanDerWaalsContact O-N 3.1Å; A297-S299 PolarHBondContact O-N 2.97Å; A297-S299 VanDerWaalsContact O-N 3.08Å; A297-W300 PolarHBondContact O-N 3.36Å; A297-T301 PolarHBondContact O-N 3.27Å; A297-T301 VanDerWaalsContact O-N 3.17Å; A297-T301 PolarHBondContact O-OG1 3.42Å; A297-T320 HydrophobicContact CB-CG2 3.75Å; A297-L323 HydrophobicContact CB-CB 3.92Å; A297-L323 HydrophobicContact CB-CD2 3.73Å; A297-L323 HydrophobicContact CB-CG 3.67Å; A297-I327 HydrophobicContact CB-CD1 4.07Å |
| 298 | H | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 5 Ų | 5 | 1% | 0.009 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.2 | -23.5 | 176.5 | -84.4 | -65.3 | 0 | 0 | 0 | 115 | E270 H294 E295 I296 W300 T301 N303 E317 T320 | E270-H298 HydrophobicContact CB-CB 3.35Å; E270-H298 VanDerWaalsContact CB-CD2 3.45Å; E270-H298 WeakPolarHBondContact CB-CD2 3.3Å; E270-H298 VanDerWaalsContact CB-CG 3.44Å; E270-H298 HydrophobicContact CG-CB 3.72Å; H294-H298 AromaticContact CD2-CD2 3.76Å; H294-H298 AromaticContact CD2-NE2 3.74Å; H294-H298 AromaticContact NE2-CD2 3.81Å; H294-H298 AromaticContact NE2-NE2 3.29Å; H294-H298 PolarHBondContact NE2-NE2 3.28Å; H294-H298 PolarHBondContact O-N 2.91Å; E295-H298 WeakPolarHBondContact O-CB 3.39Å; E295-H298 PolarHBondContact O-N 2.98Å; E295-H298 IonicContact OE2-CD2 2.9Å; I296-H298 PolarHBondContact O-N 3.31Å; H298-W300 PolarHBondContact O-N 3.05Å; H298-T301 WeakPolarHBondContact CA-O 3.48Å; H298-T301 PolarHBondContact ND1-O 3.2Å; H298-T301 CarbonylContact O-C 3.5Å; H298-T301 PolarHBondContact O-N 2.71Å; H298-N303 WeakPolarHBondContact O-CB 2.77Å; H298-N303 PolarHBondContact O-N 3.21Å; H298-N303 PolarHBondContact O-ND2 3.38Å; H298-E317 IonicContact CE1-OE1 2.78Å; H298-E317 PolarHBondContact CE1-OE1 3.36Å; H298-E317 IonicContact CE1-OE2 3.8Å; H298-E317 IonicContact NE2-OE1 2.77Å; H298-E317 IonicContact NE2-OE2 3.39Å; H298-T320 HydrophobicContact CB-CG2 4.5Å; H298-T320 VanDerWaalsContact CD2-CG2 3.48Å; H298-T320 WeakPolarHBondContact CD2-CG2 3.35Å; H298-T320 PolarHBondContact CE1-OG1 3.39Å; H298-T320 PolarHBondContact ND1-OG1 3.23Å |
| 299 | S | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 4.9 Ų | 4.9 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 174.8 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | Y250 W252 I296 A297 L304 | Y250-S299 WeakPolarHBondContact CE2-OG 3.26Å; W252-S299 PolarHBondContact NE1-O 3.5Å; I296-S299 WeakPolarHBondContact O-CB 3.36Å; I296-S299 PolarHBondContact O-N 3.06Å; I296-S299 PolarHBondContact O-OG 2.84Å; A297-S299 PolarHBondContact O-N 2.97Å; A297-S299 VanDerWaalsContact O-N 3.08Å; S299-L304 WeakPolarHBondContact O-CG 3.35Å |
| 300 | W | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 5.2 Ų | 5.2 | 1% | 0.011 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -39.6 | 171.8 | -64.3 | -88.7 | 0 | 0 | 0 | 112.5 | A243 E244 C247 G248 P249 Y250 I296 A297 H298 V305 L323 V409 | A243-W300 HydrophobicContact CB-CE3 4.09Å; A243-W300 HydrophobicContact CB-CH2 3.54Å; A243-W300 HydrophobicContact CB-CZ2 4.46Å; A243-W300 HydrophobicContact CB-CZ3 3.32Å; E244-W300 HydrophobicContact CG-CH2 4.07Å; E244-W300 HydrophobicContact CG-CZ2 3.83Å; C247-W300 HydrophobicContact CB-CB 4.2Å; C247-W300 HydrophobicContact CB-CD2 3.86Å; C247-W300 HydrophobicContact CB-CG 3.57Å; G248-W300 VanDerWaalsContact O-CZ2 3.26Å; G248-W300 WeakPolarHBondContact O-CZ2 3.41Å; G248-W300 PolarHBondContact O-NE1 3.14Å; P249-W300 PolarHBondContact O-NE1 3.48Å; Y250-W300 HydrophobicContact CD2-CH2 4.02Å; Y250-W300 HydrophobicContact CD2-CZ2 4.45Å; I296-W300 HydrophobicContact CG2-CZ3 3.88Å; I296-W300 WeakPolarHBondContact O-CZ3 3.45Å; A297-W300 PolarHBondContact O-N 3.36Å; H298-W300 PolarHBondContact O-N 3.05Å; W300-V305 PolarHBondContact O-N 3.22Å; W300-V305 VanDerWaalsContact O-N 3.17Å; W300-L323 HydrophobicContact CB-CD2 4.47Å; W300-L323 HydrophobicContact CE3-CD2 4.5Å; W300-V409 HydrophobicContact CB-CG1 4.29Å; W300-V409 HydrophobicContact CB-CG2 4.09Å; W300-V409 HydrophobicContact CG-CG1 4.34Å |
| 301 | T | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.006 | 3% | 0.028 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 108.2 | -174.7 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | A297 H298 H319 T320 | A297-T301 PolarHBondContact O-N 3.27Å; A297-T301 VanDerWaalsContact O-N 3.17Å; A297-T301 PolarHBondContact O-OG1 3.42Å; H298-T301 WeakPolarHBondContact CA-O 3.48Å; H298-T301 PolarHBondContact ND1-O 3.2Å; H298-T301 CarbonylContact O-C 3.5Å; H298-T301 PolarHBondContact O-N 2.71Å; T301-H319 HydrophobicContact CG2-CB 3.75Å; T301-T320 PolarHBondContact O-OG1 3.34Å; T301-T320 WeakPolarHBondContact OG1-CA 3.5Å; T301-T320 PolarHBondContact OG1-N 3.45Å; T301-T320 PolarHBondContact OG1-OG1 3.24Å |
| 302 | G | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112 | -43.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y199 V305 T306 N316 | Y199-G302 PolarHBondContact OH-O 2.63Å; G302-V305 CarbonylContact C-O 3.54Å; G302-V305 VanDerWaalsContact CA-O 3.3Å; G302-V305 WeakPolarHBondContact CA-O 3.46Å; G302-V305 PolarHBondContact N-O 3.07Å; G302-T306 WeakPolarHBondContact O-CB 3.34Å; G302-T306 WeakPolarHBondContact O-CG2 3.36Å; G302-T306 PolarHBondContact O-OG1 3.42Å; G302-N316 VanDerWaalsContact CA-CG 3.47Å |
| 303 | N | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -64.9 | 179.2 | -60.1 | -13.3 | 0 | 0 | 0 | 112.3 | K153 L200 W252 E270 P272 H298 T306 | K153-N303 PolarHBondContact NZ-O 3.17Å; L200-N303 HydrophobicContact CD1-CB 4.17Å; L200-N303 WeakPolarHBondContact CD1-OD1 3.48Å; W252-N303 HydrophobicContact CH2-CB 3.91Å; W252-N303 HydrophobicContact CZ2-CB 3.41Å; W252-N303 VanDerWaalsContact CZ2-CB 3.41Å; E270-N303 VanDerWaalsContact CG-OD1 3.28Å; E270-N303 WeakPolarHBondContact CG-OD1 3.3Å; E270-N303 PolarHBondContact O-ND2 3.16Å; P272-N303 HydrophobicContact CG-CB 4.16Å; H298-N303 WeakPolarHBondContact O-CB 2.77Å; H298-N303 PolarHBondContact O-N 3.21Å; H298-N303 PolarHBondContact O-ND2 3.38Å; N303-T306 PolarHBondContact O-OG1 2.92Å; N303-T306 VanDerWaalsContact O-OG1 3.14Å |
| 304 | L | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 6.3 Ų | 6.3 | 7% | 0.073 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -49.4 | 178.9 | -78.8 | 179.6 | 0 | 0 | 0 | 111.6 | K153 V194 V251 W252 S299 G414 | K153-L304 PolarHBondContact NZ-O 3.2Å; V194-L304 HydrophobicContact CG1-CD2 4.13Å; V251-L304 HydrophobicContact CG2-CD1 3.84Å; V251-L304 HydrophobicContact CG2-CD2 3.79Å; V251-L304 HydrophobicContact CG2-CG 4.22Å; W252-L304 HydrophobicContact CH2-CD2 4.26Å; W252-L304 HydrophobicContact CZ2-CD2 3.75Å; W252-L304 HydrophobicContact CZ2-CG 3.72Å; S299-L304 WeakPolarHBondContact O-CG 3.35Å; L304-G414 PolarHBondContact O-N 2.85Å |
| 305 | V | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114.5 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | W300 G302 Y408 F412 L417 | W300-V305 PolarHBondContact O-N 3.22Å; W300-V305 VanDerWaalsContact O-N 3.17Å; G302-V305 CarbonylContact C-O 3.54Å; G302-V305 VanDerWaalsContact CA-O 3.3Å; G302-V305 WeakPolarHBondContact CA-O 3.46Å; G302-V305 PolarHBondContact N-O 3.07Å; V305-Y408 HydrophobicContact CB-CE1 4.28Å; V305-Y408 HydrophobicContact CG1-CE1 3.88Å; V305-Y408 HydrophobicContact CG1-CE2 4.06Å; V305-Y408 VanDerWaalsContact CG1-CZ 3.47Å; V305-Y408 VanDerWaalsContact CG1-OH 3.26Å; V305-Y408 WeakPolarHBondContact CG1-OH 3.26Å; V305-Y408 HydrophobicContact CG2-CE1 4.43Å; V305-F412 HydrophobicContact CB-CB 4.3Å; V305-F412 HydrophobicContact CG1-CB 3.58Å; V305-F412 HydrophobicContact CG1-CG 4.47Å; V305-F412 HydrophobicContact CG2-CB 3.86Å; V305-L417 HydrophobicContact CG1-CD2 3.65Å |
| 306 | T | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.5 | -175.2 | -50.1 | 0 | 0 | 0 | 0 | 110.1 | P150 K153 P197 Y199 G302 N303 Q415 S416 L417 | P150-T306 HydrophobicContact CB-CG2 3.89Å; K153-T306 WeakPolarHBondContact CE-OG1 3.29Å; K153-T306 PolarHBondContact NZ-OG1 2.8Å; P197-T306 HydrophobicContact CG-CG2 4.33Å; Y199-T306 HydrophobicContact CE1-CG2 4.03Å; G302-T306 WeakPolarHBondContact O-CB 3.34Å; G302-T306 WeakPolarHBondContact O-CG2 3.36Å; G302-T306 PolarHBondContact O-OG1 3.42Å; N303-T306 PolarHBondContact O-OG1 2.92Å; N303-T306 VanDerWaalsContact O-OG1 3.14Å; T306-Q415 PolarHBondContact N-O 2.92Å; T306-S416 CarbonylContact O-C 3.58Å; T306-S416 WeakPolarHBondContact O-CA 3.5Å; T306-L417 WeakPolarHBondContact O-CD2 3.39Å; T306-L417 PolarHBondContact O-N 3.25Å |
| 307 | N | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 148.1 | 162.2 | 61.6 | -50 | 0 | 0 | 0 | 110.9 | P150 S309 D312 L315 N316 L417 | P150-N307 WeakPolarHBondContact CB-O 3.05Å; N307-S309 VanDerWaalsContact ND2-C 3.31Å; N307-S309 PolarHBondContact ND2-O 3.05Å; N307-D312 HydrophobicContact CB-CB 4.09Å; N307-D312 WeakPolarHBondContact CB-O 3.44Å; N307-L315 HydrophobicContact CB-CB 4.36Å; N307-N316 PolarHBondContact N-OD1 3.29Å; N307-N316 PolarHBondContact OD1-ND2 3.07Å; N307-N316 PolarHBondContact OD1-OD1 2.82Å; N307-N316 VanDerWaalsContact OD1-OD1 3.06Å; N307-L417 CarbonylContact C-O 3.3Å; N307-L417 WeakPolarHBondContact CA-O 3.44Å |
| 308 | S | 96.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -84.9 | -20 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | T151 L417 N418 | T151-S308 WeakPolarHBondContact OG1-CA 3.37Å; T151-S308 WeakPolarHBondContact OG1-CB 3.25Å; T151-S308 PolarHBondContact OG1-O 3.16Å; S308-L417 PolarHBondContact N-O 3.43Å; S308-L417 VanDerWaalsContact OG-C 3.3Å; S308-L417 PolarHBondContact OG-O 2.89Å; S308-N418 WeakPolarHBondContact OG-CB 3.44Å; S308-N418 PolarHBondContact OG-N 3.44Å |
| 309 | S | 95.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.007 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -146.8 | 154.7 | 179.8 | 80.7 | 0 | 0 | 0 | 0 | 110.4 | N307 E311 D312 | N307-S309 VanDerWaalsContact ND2-C 3.31Å; N307-S309 PolarHBondContact ND2-O 3.05Å; S309-E311 PolarHBondContact O-N 3.02Å; S309-E311 PolarHBondContact OG-N 3.26Å; S309-D312 PolarHBondContact O-N 3.1Å; S309-D312 PolarHBondContact OG-OD2 3.09Å |
| 310 | W | 96 | Very high | 97.8 | Very high | 11 Ų | 11 | 5 Ų | 5 | 4% | 0.042 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -64.6 | -16.4 | 177 | -62.1 | 108.4 | 0 | 0 | 0 | 113.8 | Q136 A137 I138 P150 Y199 D312 F313 L368 P373 | Q136-W310 HydrophobicContact CG-CH2 3.78Å; Q136-W310 HydrophobicContact CG-CZ3 3.92Å; A137-W310 HydrophobicContact CB-CD2 3.7Å; A137-W310 HydrophobicContact CB-CE3 3.85Å; A137-W310 HydrophobicContact CB-CG 4.34Å; A137-W310 HydrophobicContact CB-CH2 4.06Å; A137-W310 HydrophobicContact CB-CZ2 3.92Å; A137-W310 HydrophobicContact CB-CZ3 4.01Å; A137-W310 WeakPolarHBondContact O-CZ2 3.46Å; I138-W310 VanDerWaalsContact CG2-NE1 3.34Å; P150-W310 HydrophobicContact CG-CD2 4.19Å; P150-W310 HydrophobicContact CG-CH2 4.14Å; P150-W310 HydrophobicContact CG-CZ2 3.56Å; Y199-W310 AromaticContact CD1-CH2 3.66Å; Y199-W310 HydrophobicContact CD1-CH2 3.66Å; Y199-W310 AromaticContact CD1-CZ2 3.87Å; Y199-W310 HydrophobicContact CD1-CZ2 3.87Å; Y199-W310 AromaticContact CD2-CH2 3.98Å; Y199-W310 HydrophobicContact CD2-CH2 3.98Å; Y199-W310 AromaticContact CE1-CH2 3.93Å; Y199-W310 HydrophobicContact CE1-CH2 3.93Å; Y199-W310 HydrophobicContact CE1-CZ2 4.47Å; Y199-W310 HydrophobicContact CE2-CH2 4.22Å; Y199-W310 AromaticContact CG-CH2 3.7Å; Y199-W310 HydrophobicContact CG-CH2 3.7Å; Y199-W310 HydrophobicContact CG-CZ2 4Å; W310-D312 PolarHBondContact O-N 3.19Å; W310-F313 AromaticContact CE3-CD2 3.95Å; W310-F313 HydrophobicContact CE3-CD2 3.95Å; W310-F313 HydrophobicContact CE3-CE2 4.49Å; W310-F313 AromaticContact CZ3-CD2 3.88Å; W310-F313 HydrophobicContact CZ3-CD2 3.88Å; W310-F313 HydrophobicContact CZ3-CE2 4.05Å; W310-F313 VanDerWaalsContact O-CB 3.3Å; W310-F313 WeakPolarHBondContact O-CB 3.29Å; W310-F313 PolarHBondContact O-N 3.28Å; W310-L368 HydrophobicContact CB-CD1 3.66Å; W310-P373 HydrophobicContact CB-CB 3.95Å; W310-P373 HydrophobicContact CB-CG 4.11Å; W310-P373 HydrophobicContact CG-CB 4.01Å; W310-P373 HydrophobicContact CG-CG 4.06Å |
| 311 | E | 96.2 | Very high | 97.8 | Very high | 34 Ų | 34 | 4.9 Ų | 4.9 | 16% | 0.159 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -66.5 | -26.6 | 171.7 | -63.3 | -179.6 | 155.2 | 0 | 0 | 112.1 | H7 S309 I365 V366 L368 | H7-E311 IonicContact ND1-OE1 2.73Å; H7-E311 PolarHBondContact ND1-OE1 3.29Å; S309-E311 PolarHBondContact O-N 3.02Å; S309-E311 PolarHBondContact OG-N 3.26Å; E311-I365 WeakPolarHBondContact O-CA 3.34Å; E311-V366 VanDerWaalsContact CB-O 3.32Å; E311-V366 WeakPolarHBondContact CB-O 3.45Å; E311-V366 VanDerWaalsContact CG-O 3.3Å; E311-V366 WeakPolarHBondContact CG-O 3.02Å; E311-V366 PolarHBondContact O-N 2.88Å; E311-L368 HydrophobicContact CG-CB 4.01Å; E311-L368 HydrophobicContact CG-CD1 4.21Å; E311-L368 HydrophobicContact CG-CG 4.06Å; E311-L368 PolarHBondContact OE1-N 3.14Å |
| 312 | D | 96.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 4.9 Ų | 4.9 | 5% | 0.048 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -99.7 | 21.6 | 178.4 | -60.2 | -77.3 | 0 | 0 | 0 | 112.5 | N307 S309 W310 W314 L315 N418 S419 | N307-D312 HydrophobicContact CB-CB 4.09Å; N307-D312 WeakPolarHBondContact CB-O 3.44Å; S309-D312 PolarHBondContact O-N 3.1Å; S309-D312 PolarHBondContact OG-OD2 3.09Å; W310-D312 PolarHBondContact O-N 3.19Å; D312-W314 PolarHBondContact O-N 3.19Å; D312-L315 HydrophobicContact CB-CD1 3.94Å; D312-L315 HydrophobicContact CB-CG 4.34Å; D312-L315 VanDerWaalsContact O-CB 3.31Å; D312-L315 WeakPolarHBondContact O-CB 3.49Å; D312-L315 PolarHBondContact O-N 3.27Å; D312-N418 WeakPolarHBondContact OD2-CB 3.43Å; D312-S419 WeakPolarHBondContact OD1-CB 3.33Å; D312-S419 PolarHBondContact OD1-N 3.29Å; D312-S419 PolarHBondContact OD1-OG 3.31Å |
| 313 | F | 97.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 4.9 Ų | 4.9 | 11% | 0.114 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | -174.3 | -178.3 | -124.2 | 0 | 0 | 0 | 114 | W310 L315 N316 E317 P381 Y382 | W310-F313 AromaticContact CE3-CD2 3.95Å; W310-F313 HydrophobicContact CE3-CD2 3.95Å; W310-F313 HydrophobicContact CE3-CE2 4.49Å; W310-F313 AromaticContact CZ3-CD2 3.88Å; W310-F313 HydrophobicContact CZ3-CD2 3.88Å; W310-F313 HydrophobicContact CZ3-CE2 4.05Å; W310-F313 VanDerWaalsContact O-CB 3.3Å; W310-F313 WeakPolarHBondContact O-CB 3.29Å; W310-F313 PolarHBondContact O-N 3.28Å; F313-L315 PolarHBondContact O-N 2.66Å; F313-L315 VanDerWaalsContact O-N 3.13Å; F313-N316 PolarHBondContact O-N 2.98Å; F313-E317 HydrophobicContact CD1-CG 3.92Å; F313-E317 HydrophobicContact CD2-CG 4.34Å; F313-E317 HydrophobicContact CE1-CG 3.34Å; F313-E317 HydrophobicContact CE2-CG 3.82Å; F313-E317 VanDerWaalsContact CE2-OE1 3.29Å; F313-E317 WeakPolarHBondContact CE2-OE1 3.4Å; F313-E317 HydrophobicContact CG-CG 4.38Å; F313-E317 HydrophobicContact CZ-CG 3.3Å; F313-E317 WeakPolarHBondContact CZ-OE1 3.32Å; F313-E317 PolarHBondContact O-N 3.26Å; F313-P381 HydrophobicContact CD1-CB 3.92Å; F313-P381 HydrophobicContact CD1-CG 3.73Å; F313-P381 HydrophobicContact CE1-CG 4.04Å; F313-Y382 HydrophobicContact CE1-CE2 4.28Å |
| 314 | W | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -58.3 | -23.8 | 173.3 | 80.3 | -87.2 | 0 | 0 | 0 | 113.9 | D312 N316 G318 H319 L364 P381 L388 S419 W422 | D312-W314 PolarHBondContact O-N 3.19Å; W314-N316 PolarHBondContact O-N 3.32Å; W314-G318 VanDerWaalsContact O-CA 3.3Å; W314-G318 WeakPolarHBondContact O-CA 3.24Å; W314-G318 PolarHBondContact O-N 2.97Å; W314-H319 AromaticContact CZ3-CE1 3.84Å; W314-L364 HydrophobicContact CB-CB 4.22Å; W314-L364 HydrophobicContact CB-CD2 3.86Å; W314-L364 HydrophobicContact CD2-CB 4.33Å; W314-L364 HydrophobicContact CD2-CD1 4.31Å; W314-L364 HydrophobicContact CE3-CD1 4.42Å; W314-L364 HydrophobicContact CG-CB 3.84Å; W314-L364 HydrophobicContact CG-CD2 4.23Å; W314-L364 HydrophobicContact CG-CG 4.44Å; W314-P381 HydrophobicContact CB-CB 3.9Å; W314-L388 HydrophobicContact CH2-CD2 4.16Å; W314-L388 HydrophobicContact CZ3-CD2 4.18Å; W314-S419 PolarHBondContact NE1-OG 2.95Å; W314-W422 AromaticContact CH2-CD2 3.83Å; W314-W422 HydrophobicContact CH2-CD2 3.83Å; W314-W422 AromaticContact CH2-CE2 3.8Å; W314-W422 AromaticContact CH2-CE3 3.85Å; W314-W422 HydrophobicContact CH2-CE3 3.85Å; W314-W422 AromaticContact CH2-CH2 3.84Å; W314-W422 HydrophobicContact CH2-CH2 3.84Å; W314-W422 AromaticContact CH2-CZ2 3.83Å; W314-W422 HydrophobicContact CH2-CZ2 3.83Å; W314-W422 AromaticContact CH2-CZ3 3.87Å; W314-W422 HydrophobicContact CH2-CZ3 3.87Å; W314-W422 HydrophobicContact CZ2-CD2 4.34Å; W314-W422 HydrophobicContact CZ2-CE3 4.19Å; W314-W422 HydrophobicContact CZ2-CZ3 4.44Å; W314-W422 HydrophobicContact CZ3-CZ2 4.35Å |
| 315 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 175.3 | -70.9 | 179 | 0 | 0 | 0 | 111.8 | N307 D312 F313 H319 L417 W422 | N307-L315 HydrophobicContact CB-CB 4.36Å; D312-L315 HydrophobicContact CB-CD1 3.94Å; D312-L315 HydrophobicContact CB-CG 4.34Å; D312-L315 VanDerWaalsContact O-CB 3.31Å; D312-L315 WeakPolarHBondContact O-CB 3.49Å; D312-L315 PolarHBondContact O-N 3.27Å; F313-L315 PolarHBondContact O-N 2.66Å; F313-L315 VanDerWaalsContact O-N 3.13Å; L315-H319 WeakPolarHBondContact O-CB 3.26Å; L315-H319 PolarHBondContact O-ND1 3.29Å; L315-L417 HydrophobicContact CD1-CD2 4.1Å; L315-L417 HydrophobicContact CD1-CG 4.07Å; L315-L417 WeakPolarHBondContact CD1-O 3.46Å; L315-W422 HydrophobicContact CD2-CB 3.87Å; L315-W422 HydrophobicContact CD2-CD2 4.2Å; L315-W422 HydrophobicContact CD2-CG 3.62Å |
| 316 | N | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -75.9 | -65.5 | 172 | -65.6 | 8.5 | 0 | 0 | 0 | 108.5 | Y199 G302 N307 F313 W314 G318 H319 T320 | Y199-N316 PolarHBondContact OH-ND2 3.39Å; G302-N316 VanDerWaalsContact CA-CG 3.47Å; N307-N316 PolarHBondContact N-OD1 3.29Å; N307-N316 PolarHBondContact OD1-ND2 3.07Å; N307-N316 PolarHBondContact OD1-OD1 2.82Å; N307-N316 VanDerWaalsContact OD1-OD1 3.06Å; F313-N316 PolarHBondContact O-N 2.98Å; W314-N316 PolarHBondContact O-N 3.32Å; N316-G318 PolarHBondContact O-N 3.11Å; N316-H319 PolarHBondContact O-N 3.16Å; N316-T320 WeakPolarHBondContact O-CB 3.12Å; N316-T320 PolarHBondContact O-N 3.42Å; N316-T320 PolarHBondContact O-OG1 3.45Å |
| 317 | E | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | -167.4 | -60 | -51.2 | 145.7 | 0 | 0 | 113.9 | H294 H298 F313 H319 T320 V321 P381 Y382 | H294-E317 IonicContact CE1-OE2 2.81Å; H294-E317 IonicContact NE2-OE2 3.58Å; H298-E317 IonicContact CE1-OE1 2.78Å; H298-E317 PolarHBondContact CE1-OE1 3.36Å; H298-E317 IonicContact CE1-OE2 3.8Å; H298-E317 IonicContact NE2-OE1 2.77Å; H298-E317 IonicContact NE2-OE2 3.39Å; F313-E317 HydrophobicContact CD1-CG 3.92Å; F313-E317 HydrophobicContact CD2-CG 4.34Å; F313-E317 HydrophobicContact CE1-CG 3.34Å; F313-E317 HydrophobicContact CE2-CG 3.82Å; F313-E317 VanDerWaalsContact CE2-OE1 3.29Å; F313-E317 WeakPolarHBondContact CE2-OE1 3.4Å; F313-E317 HydrophobicContact CG-CG 4.38Å; F313-E317 HydrophobicContact CZ-CG 3.3Å; F313-E317 WeakPolarHBondContact CZ-OE1 3.32Å; F313-E317 PolarHBondContact O-N 3.26Å; E317-H319 VanDerWaalsContact C-N 3.33Å; E317-H319 PolarHBondContact O-N 3.04Å; E317-T320 PolarHBondContact O-N 2.91Å; E317-V321 WeakPolarHBondContact O-CG2 3.4Å; E317-V321 PolarHBondContact O-N 3.08Å; E317-P381 HydrophobicContact CB-CB 4.31Å; E317-Y382 HydrophobicContact CB-CD1 3.89Å; E317-Y382 HydrophobicContact CB-CD2 4.17Å; E317-Y382 HydrophobicContact CB-CE1 4.08Å; E317-Y382 HydrophobicContact CB-CE2 4.33Å; E317-Y382 HydrophobicContact CB-CG 3.91Å; E317-Y382 VanDerWaalsContact CD-CE1 3.45Å; E317-Y382 VanDerWaalsContact CD-CZ 3.45Å; E317-Y382 HydrophobicContact CG-CD1 4.18Å; E317-Y382 HydrophobicContact CG-CD2 4.22Å; E317-Y382 HydrophobicContact CG-CE1 3.86Å; E317-Y382 HydrophobicContact CG-CE2 3.88Å; E317-Y382 HydrophobicContact CG-CG 4.33Å; E317-Y382 WeakPolarHBondContact OE2-CD1 3.45Å; E317-Y382 WeakPolarHBondContact OE2-CE1 3.45Å; E317-Y382 VanDerWaalsContact OE2-CZ 3.27Å |
| 318 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W314 N316 Y322 P381 S386 | W314-G318 VanDerWaalsContact O-CA 3.3Å; W314-G318 WeakPolarHBondContact O-CA 3.24Å; W314-G318 PolarHBondContact O-N 2.97Å; N316-G318 PolarHBondContact O-N 3.11Å; G318-Y322 WeakPolarHBondContact O-CB 3.19Å; G318-Y322 PolarHBondContact O-N 2.93Å; G318-Y322 VanDerWaalsContact O-N 3.09Å; G318-P381 WeakPolarHBondContact CA-O 3.47Å; G318-P381 PolarHBondContact N-O 3.14Å; G318-S386 VanDerWaalsContact O-CA 3.28Å; G318-S386 WeakPolarHBondContact O-CA 3.31Å; G318-S386 WeakPolarHBondContact O-CB 3.42Å |
| 319 | H | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -70.9 | -40.3 | 175.8 | -70.8 | 75.8 | 0 | 0 | 0 | 111.7 | T301 W314 L315 N316 E317 Y322 L323 L389 W404 Y408 W422 | T301-H319 HydrophobicContact CG2-CB 3.75Å; W314-H319 AromaticContact CZ3-CE1 3.84Å; L315-H319 WeakPolarHBondContact O-CB 3.26Å; L315-H319 PolarHBondContact O-ND1 3.29Å; N316-H319 PolarHBondContact O-N 3.16Å; E317-H319 VanDerWaalsContact C-N 3.33Å; E317-H319 PolarHBondContact O-N 3.04Å; H319-Y322 PolarHBondContact O-N 3.36Å; H319-L323 WeakPolarHBondContact O-CB 3.29Å; H319-L323 PolarHBondContact O-N 3.31Å; H319-L389 HydrophobicContact CB-CD1 4.22Å; H319-W404 AromaticContact NE2-CH2 3.47Å; H319-W404 WeakPolarHBondContact NE2-CH2 3.38Å; H319-W404 AromaticContact NE2-CZ3 3.94Å; H319-Y408 AromaticContact CD2-CE1 3.83Å; H319-W422 AromaticContact CE1-CD1 3.76Å; H319-W422 AromaticContact CE1-CE2 3.91Å; H319-W422 AromaticContact CE1-NE1 3.14Å; H319-W422 PolarHBondContact CE1-NE1 2.9Å; H319-W422 AromaticContact NE2-CD1 3.73Å; H319-W422 AromaticContact NE2-CE2 3.86Å; H319-W422 AromaticContact NE2-NE1 2.92Å; H319-W422 PolarHBondContact NE2-NE1 3Å |
| 320 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | H294 A297 H298 T301 N316 E317 Y322 L323 E324 | H294-T320 WeakPolarHBondContact O-CG2 3.45Å; A297-T320 HydrophobicContact CB-CG2 3.75Å; H298-T320 HydrophobicContact CB-CG2 4.5Å; H298-T320 VanDerWaalsContact CD2-CG2 3.48Å; H298-T320 WeakPolarHBondContact CD2-CG2 3.35Å; H298-T320 PolarHBondContact CE1-OG1 3.39Å; H298-T320 PolarHBondContact ND1-OG1 3.23Å; T301-T320 PolarHBondContact O-OG1 3.34Å; T301-T320 WeakPolarHBondContact OG1-CA 3.5Å; T301-T320 PolarHBondContact OG1-N 3.45Å; T301-T320 PolarHBondContact OG1-OG1 3.24Å; N316-T320 WeakPolarHBondContact O-CB 3.12Å; N316-T320 PolarHBondContact O-N 3.42Å; N316-T320 PolarHBondContact O-OG1 3.45Å; E317-T320 PolarHBondContact O-N 2.91Å; T320-Y322 VanDerWaalsContact C-N 3.28Å; T320-Y322 PolarHBondContact O-N 3.38Å; T320-L323 CarbonylContact O-C 3.48Å; T320-L323 PolarHBondContact O-N 3.19Å; T320-L323 VanDerWaalsContact O-N 3.09Å; T320-E324 WeakPolarHBondContact O-CB 3.34Å; T320-E324 PolarHBondContact O-N 3.44Å |
| 321 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | E317 R325 Y382 S386 | E317-V321 WeakPolarHBondContact O-CG2 3.4Å; E317-V321 PolarHBondContact O-N 3.08Å; V321-R325 VanDerWaalsContact CG1-CZ 3.42Å; V321-R325 WeakPolarHBondContact O-CB 3.3Å; V321-R325 WeakPolarHBondContact O-CD 3.48Å; V321-R325 VanDerWaalsContact O-CG 3.26Å; V321-R325 WeakPolarHBondContact O-CG 3.4Å; V321-R325 PolarHBondContact O-N 3.31Å; V321-R325 VanDerWaalsContact O-N 3.14Å; V321-Y382 HydrophobicContact CG2-CD1 3.94Å; V321-Y382 HydrophobicContact CG2-CG 4.48Å; V321-S386 WeakPolarHBondContact CG1-OG 3.47Å |
| 322 | Y | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 173 | 177.8 | -100.3 | 0 | 0 | 0 | 112.2 | G318 H319 T320 L326 S386 L389 E393 M401 L405 | G318-Y322 WeakPolarHBondContact O-CB 3.19Å; G318-Y322 PolarHBondContact O-N 2.93Å; G318-Y322 VanDerWaalsContact O-N 3.09Å; H319-Y322 PolarHBondContact O-N 3.36Å; T320-Y322 VanDerWaalsContact C-N 3.28Å; T320-Y322 PolarHBondContact O-N 3.38Å; Y322-L326 HydrophobicContact CD1-CD1 3.89Å; Y322-L326 HydrophobicContact CE1-CD1 3.46Å; Y322-L326 VanDerWaalsContact CE1-CD1 3.46Å; Y322-L326 HydrophobicContact CE1-CG 4.44Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 3.02Å; Y322-S386 WeakPolarHBondContact CA-OG 3.46Å; Y322-S386 PolarHBondContact N-OG 3.18Å; Y322-L389 HydrophobicContact CD1-CB 4.27Å; Y322-L389 HydrophobicContact CD1-CD1 4.08Å; Y322-L389 HydrophobicContact CD2-CB 3.59Å; Y322-L389 HydrophobicContact CE2-CB 3.99Å; Y322-L389 HydrophobicContact CG-CB 3.74Å; Y322-L389 HydrophobicContact CG-CD1 3.84Å; Y322-L389 HydrophobicContact CG-CG 4.45Å; Y322-E393 PolarHBondContact OH-OE2 2.83Å; Y322-M401 WeakPolarHBondContact OH-CB 3.42Å; Y322-L405 HydrophobicContact CE1-CD2 4.33Å |
| 323 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 177.5 | 176.8 | 56.5 | 0 | 0 | 0 | 112.5 | I246 C247 A297 W300 H319 T320 R325 L326 I327 L405 | I246-L323 HydrophobicContact CB-CD1 4.18Å; I246-L323 HydrophobicContact CD1-CD1 4Å; I246-L323 HydrophobicContact CG2-CD1 3.78Å; C247-L323 VanDerWaalsContact SG-CD2 3.5Å; A297-L323 HydrophobicContact CB-CB 3.92Å; A297-L323 HydrophobicContact CB-CD2 3.73Å; A297-L323 HydrophobicContact CB-CG 3.67Å; W300-L323 HydrophobicContact CB-CD2 4.47Å; W300-L323 HydrophobicContact CE3-CD2 4.5Å; H319-L323 WeakPolarHBondContact O-CB 3.29Å; H319-L323 PolarHBondContact O-N 3.31Å; T320-L323 CarbonylContact O-C 3.48Å; T320-L323 PolarHBondContact O-N 3.19Å; T320-L323 VanDerWaalsContact O-N 3.09Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.04Å; L323-L326 CarbonylContact O-C 3.58Å; L323-L326 WeakPolarHBondContact O-CA 3.31Å; L323-L326 WeakPolarHBondContact O-CB 3.35Å; L323-L326 PolarHBondContact O-N 3.29Å; L323-I327 HydrophobicContact CD1-CD1 4.4Å; L323-I327 HydrophobicContact CD1-CG1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.12Å; L323-I327 WeakPolarHBondContact O-CG1 3.39Å; L323-I327 PolarHBondContact O-N 3.22Å; L323-L405 HydrophobicContact CD1-CD2 4.27Å |
| 324 | E | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -48.3 | -53.4 | 170.3 | 176.7 | -165.6 | 161 | 0 | 0 | 109.7 | N290 A293 H294 T320 L326 I327 E328 | N290-E324 PolarHBondContact ND2-OE1 3.35Å; A293-E324 HydrophobicContact CB-CG 4.46Å; H294-E324 HydrophobicContact CB-CB 4.42Å; H294-E324 HydrophobicContact CB-CG 4.02Å; H294-E324 WeakPolarHBondContact CB-OE2 3.49Å; H294-E324 IonicContact CE1-OE2 2.77Å; H294-E324 IonicContact CG-OE2 3.49Å; H294-E324 IonicContact ND1-OE2 2.78Å; H294-E324 PolarHBondContact ND1-OE2 2.98Å; T320-E324 WeakPolarHBondContact O-CB 3.34Å; T320-E324 PolarHBondContact O-N 3.44Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.21Å; E324-I327 WeakPolarHBondContact O-CA 3.36Å; E324-I327 WeakPolarHBondContact O-CB 3.46Å; E324-I327 PolarHBondContact O-N 2.98Å; E324-E328 WeakPolarHBondContact O-CG 3.17Å; E324-E328 PolarHBondContact O-N 3.49Å |
| 325 | R | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 24 Ų | 24 | 4% | 0.038 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -31.3 | 179.2 | -76.9 | 170.8 | 177 | 157 | 4.8 | 113.6 | V321 L323 E329 R337 H340 E383 S386 | V321-R325 VanDerWaalsContact CG1-CZ 3.42Å; V321-R325 WeakPolarHBondContact O-CB 3.3Å; V321-R325 WeakPolarHBondContact O-CD 3.48Å; V321-R325 VanDerWaalsContact O-CG 3.26Å; V321-R325 WeakPolarHBondContact O-CG 3.4Å; V321-R325 PolarHBondContact O-N 3.31Å; V321-R325 VanDerWaalsContact O-N 3.14Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.04Å; R325-E329 PolarHBondContact O-N 3.16Å; R325-R337 HydrophobicContact CB-CG 4.12Å; R325-R337 WeakPolarHBondContact O-CD 3.41Å; R325-R337 WeakPolarHBondContact O-CG 3.39Å; R325-H340 HydrophobicContact CG-CB 4.11Å; R325-H340 PolarHBondContact NH2-O 3.49Å; R325-H340 VanDerWaalsContact NH2-O 3.11Å; R325-E383 IonicContact CZ-OE2 3.27Å; R325-E383 IonicContact NH1-OE2 3.6Å; R325-E383 PolarHBondContact NH1-OE2 3.21Å; R325-E383 IonicContact NH2-OE1 3.12Å; R325-E383 PolarHBondContact NH2-OE1 3.47Å; R325-E383 IonicContact NH2-OE2 2.77Å; R325-E383 PolarHBondContact NH2-OE2 3.26Å; R325-S386 PolarHBondContact NH1-OG 2.73Å |
| 326 | L | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.3 | -34.1 | 173 | -71.1 | 169.3 | 0 | 0 | 0 | 112.2 | I246 Y322 L323 E324 E329 R330 L402 L405 | I246-L326 HydrophobicContact CD1-CB 3.79Å; Y322-L326 HydrophobicContact CD1-CD1 3.89Å; Y322-L326 HydrophobicContact CE1-CD1 3.46Å; Y322-L326 VanDerWaalsContact CE1-CD1 3.46Å; Y322-L326 HydrophobicContact CE1-CG 4.44Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 3.02Å; L323-L326 CarbonylContact O-C 3.58Å; L323-L326 WeakPolarHBondContact O-CA 3.31Å; L323-L326 WeakPolarHBondContact O-CB 3.35Å; L323-L326 PolarHBondContact O-N 3.29Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.21Å; L326-E329 PolarHBondContact O-N 2.89Å; L326-R330 WeakPolarHBondContact O-CG 3.35Å; L326-R330 PolarHBondContact O-N 2.98Å; L326-R330 VanDerWaalsContact O-N 3.1Å; L326-L402 HydrophobicContact CD1-CD2 3.68Å; L326-L402 HydrophobicContact CD2-CD2 4.12Å; L326-L405 HydrophobicContact CD1-CD2 4.22Å |
| 327 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.8 | -49.4 | 172.4 | -68 | 161.6 | 0 | 0 | 0 | 109.5 | M239 A242 A243 I246 A293 A297 L323 E324 E329 R330 I331 | M239-I327 HydrophobicContact CB-CG2 4.29Å; M239-I327 HydrophobicContact CG-CG2 4.49Å; A242-I327 HydrophobicContact CB-CG2 3.95Å; A243-I327 HydrophobicContact CB-CD1 3.63Å; A243-I327 HydrophobicContact CB-CG1 3.96Å; I246-I327 HydrophobicContact CD1-CG1 4.26Å; A293-I327 HydrophobicContact CB-CB 4.42Å; A293-I327 HydrophobicContact CB-CG2 3.84Å; A297-I327 HydrophobicContact CB-CD1 4.07Å; L323-I327 HydrophobicContact CD1-CD1 4.4Å; L323-I327 HydrophobicContact CD1-CG1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.12Å; L323-I327 WeakPolarHBondContact O-CG1 3.39Å; L323-I327 PolarHBondContact O-N 3.22Å; E324-I327 WeakPolarHBondContact O-CA 3.36Å; E324-I327 WeakPolarHBondContact O-CB 3.46Å; E324-I327 PolarHBondContact O-N 2.98Å; I327-E329 VanDerWaalsContact C-N 3.26Å; I327-E329 PolarHBondContact O-N 2.91Å; I327-R330 WeakPolarHBondContact O-CB 3.36Å; I327-R330 PolarHBondContact O-N 2.68Å; I327-I331 HydrophobicContact CG2-CD1 3.82Å; I327-I331 WeakPolarHBondContact O-CG1 3.31Å; I327-I331 PolarHBondContact O-N 3.31Å; I327-I331 VanDerWaalsContact O-N 3.08Å |
| 328 | E | 97.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 175 | -69.3 | -58 | 137.6 | 0 | 0 | 111.5 | N290 E324 R330 I331 H332 | N290-E328 WeakPolarHBondContact CA-OE1 3.4Å; N290-E328 WeakPolarHBondContact CB-OE1 3.41Å; E324-E328 WeakPolarHBondContact O-CG 3.17Å; E324-E328 PolarHBondContact O-N 3.49Å; E328-R330 VanDerWaalsContact C-N 3.34Å; E328-R330 PolarHBondContact O-N 3.14Å; E328-I331 PolarHBondContact O-N 3.01Å; E328-H332 WeakPolarHBondContact O-CB 3.39Å; E328-H332 PolarHBondContact O-N 3.25Å; E328-H332 IonicContact OE2-CD2 2.9Å; E328-H332 PolarHBondContact OE2-CD2 3.11Å; E328-H332 IonicContact OE2-NE2 3.23Å |
| 329 | E | 97.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 173.7 | -177.7 | 170.7 | 166.5 | 0 | 0 | 113 | R325 L326 I327 I331 G333 R337 K398 | R325-E329 PolarHBondContact O-N 3.16Å; L326-E329 PolarHBondContact O-N 2.89Å; I327-E329 VanDerWaalsContact C-N 3.26Å; I327-E329 PolarHBondContact O-N 2.91Å; E329-I331 VanDerWaalsContact C-N 3.26Å; E329-I331 PolarHBondContact O-N 3.28Å; E329-G333 CarbonylContact O-C 3.6Å; E329-G333 WeakPolarHBondContact O-CA 3.34Å; E329-G333 PolarHBondContact O-N 2.96Å; E329-R337 HydrophobicContact CB-CB 3.87Å; E329-R337 HydrophobicContact CB-CG 4.48Å; E329-R337 HydrophobicContact CG-CB 4.48Å; E329-R337 WeakPolarHBondContact OE2-CD 3.33Å; E329-R337 IonicContact OE2-CZ 3.39Å; E329-R337 IonicContact OE2-NE 3.32Å; E329-R337 IonicContact OE2-NH1 3.36Å; E329-R337 PolarHBondContact OE2-NH1 3.47Å; E329-R337 VanDerWaalsContact OE2-NH1 3.13Å; E329-K398 IonicContact OE1-NZ 2.71Å; E329-K398 PolarHBondContact OE1-NZ 2.98Å; E329-K398 IonicContact OE2-NZ 3.3Å; E329-K398 PolarHBondContact OE2-NZ 2.92Å |
| 330 | R | 97.3 | Very high | 97.6 | Very high | 149 Ų | 149 | 26 Ų | 26 | 56% | 0.562 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -66.8 | -31.1 | 179.8 | -71.8 | -69.1 | -170.6 | 159.9 | 3.3 | 112.3 | A242 I246 L326 I327 E328 | A242-R330 HydrophobicContact CB-CB 4Å; I246-R330 HydrophobicContact CD1-CG 4.15Å; L326-R330 WeakPolarHBondContact O-CG 3.35Å; L326-R330 PolarHBondContact O-N 2.98Å; L326-R330 VanDerWaalsContact O-N 3.1Å; I327-R330 WeakPolarHBondContact O-CB 3.36Å; I327-R330 PolarHBondContact O-N 2.68Å; E328-R330 VanDerWaalsContact C-N 3.34Å; E328-R330 PolarHBondContact O-N 3.14Å |
| 331 | I | 96.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 17% | 0.169 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -89.5 | -45.6 | -176 | -62.9 | 175.3 | 0 | 0 | 0 | 111.1 | Q238 M239 A242 I327 E328 E329 | Q238-I331 HydrophobicContact CG-CD1 4.34Å; Q238-I331 HydrophobicContact CG-CG1 4.29Å; M239-I331 HydrophobicContact CB-CD1 4.34Å; M239-I331 HydrophobicContact CG-CD1 3.66Å; A242-I331 HydrophobicContact CB-CD1 4.4Å; A242-I331 HydrophobicContact CB-CG1 4.2Å; I327-I331 HydrophobicContact CG2-CD1 3.82Å; I327-I331 WeakPolarHBondContact O-CG1 3.31Å; I327-I331 PolarHBondContact O-N 3.31Å; I327-I331 VanDerWaalsContact O-N 3.08Å; E328-I331 PolarHBondContact O-N 3.01Å; E329-I331 VanDerWaalsContact C-N 3.26Å; E329-I331 PolarHBondContact O-N 3.28Å |
| 332 | H | 95.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 26.8 Ų | 26.8 | 38% | 0.38 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -115.6 | -10 | -169.3 | -58.7 | -66.4 | 0 | 0 | 0 | 114 | E328 H335 M336 | E328-H332 WeakPolarHBondContact O-CB 3.39Å; E328-H332 PolarHBondContact O-N 3.25Å; E328-H332 IonicContact OE2-CD2 2.9Å; E328-H332 PolarHBondContact OE2-CD2 3.11Å; E328-H332 IonicContact OE2-NE2 3.23Å; H332-H335 PolarHBondContact O-CE1 3.38Å; H332-M336 HydrophobicContact CB-CB 3.81Å; H332-M336 HydrophobicContact CB-CG 3.89Å |
| 333 | G | 96.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 26% | 0.258 | 14% | 0.136 | S | C | . | . | trans | 97.6 | 167.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E329 H335 M336 R337 | E329-G333 CarbonylContact O-C 3.6Å; E329-G333 WeakPolarHBondContact O-CA 3.34Å; E329-G333 PolarHBondContact O-N 2.96Å; G333-H335 PolarHBondContact O-N 2.96Å; G333-M336 WeakPolarHBondContact O-CB 3.06Å; G333-M336 PolarHBondContact O-N 3.3Å; G333-M336 VanDerWaalsContact O-N 3.13Å; G333-R337 PolarHBondContact O-N 3.37Å | ||
| 334 | S | 96.9 | Very high | 97.5 | Very high | 51 Ų | 51 | 27.3 Ų | 27.3 | 36% | 0.357 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.1 | -42.5 | -171.7 | -173.3 | 0 | 0 | 0 | 0 | 113.5 | M336 R337 H338 | S334-M336 PolarHBondContact O-N 3.13Å; S334-M336 VanDerWaalsContact O-N 3.16Å; S334-R337 WeakPolarHBondContact O-CB 3.26Å; S334-R337 PolarHBondContact O-N 3.38Å; S334-H338 PolarHBondContact O-CD2 3.09Å; S334-H338 PolarHBondContact O-N 2.92Å; S334-H338 PolarHBondContact OG-CD2 3.16Å |
| 335 | H | 96.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 28.2 Ų | 28.2 | 41% | 0.412 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56 | -36.4 | 179.5 | 63.9 | -87.4 | 0 | 0 | 0 | 112.5 | H332 G333 H338 L339 L462 | H332-H335 PolarHBondContact O-CE1 3.38Å; G333-H335 PolarHBondContact O-N 2.96Å; H335-H338 PolarHBondContact O-N 3.21Å; H335-L339 PolarHBondContact O-N 3.09Å; H335-L462 HydrophobicContact CB-CD1 3.82Å |
| 336 | M | 95.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 10% | 0.099 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 177.5 | -168.5 | 58.2 | 70.3 | 0 | 0 | 111.4 | H332 G333 S334 H338 L339 H340 V498 | H332-M336 HydrophobicContact CB-CB 3.81Å; H332-M336 HydrophobicContact CB-CG 3.89Å; G333-M336 WeakPolarHBondContact O-CB 3.06Å; G333-M336 PolarHBondContact O-N 3.3Å; G333-M336 VanDerWaalsContact O-N 3.13Å; S334-M336 PolarHBondContact O-N 3.13Å; S334-M336 VanDerWaalsContact O-N 3.16Å; M336-H338 VanDerWaalsContact C-N 3.29Å; M336-H338 PolarHBondContact O-N 3.24Å; M336-L339 WeakPolarHBondContact O-CB 3.38Å; M336-L339 PolarHBondContact O-N 3.01Å; M336-L339 VanDerWaalsContact O-N 3.14Å; M336-L339 HydrophobicContact SD-CD1 4.19Å; M336-H340 PolarHBondContact O-CD2 2.71Å; M336-H340 VanDerWaalsContact O-CD2 3.25Å; M336-H340 PolarHBondContact O-N 3.02Å; M336-V498 HydrophobicContact SD-CB 4.44Å; M336-V498 HydrophobicContact SD-CG2 3.83Å |
| 337 | R | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 173.3 | 171.5 | 176.1 | -173.7 | -143.1 | -0.3 | 112.1 | R325 E329 G333 S334 L339 H340 L341 E393 | R325-R337 HydrophobicContact CB-CG 4.12Å; R325-R337 WeakPolarHBondContact O-CD 3.41Å; R325-R337 WeakPolarHBondContact O-CG 3.39Å; E329-R337 HydrophobicContact CB-CB 3.87Å; E329-R337 HydrophobicContact CB-CG 4.48Å; E329-R337 HydrophobicContact CG-CB 4.48Å; E329-R337 WeakPolarHBondContact OE2-CD 3.33Å; E329-R337 IonicContact OE2-CZ 3.39Å; E329-R337 IonicContact OE2-NE 3.32Å; E329-R337 IonicContact OE2-NH1 3.36Å; E329-R337 PolarHBondContact OE2-NH1 3.47Å; E329-R337 VanDerWaalsContact OE2-NH1 3.13Å; G333-R337 PolarHBondContact O-N 3.37Å; S334-R337 WeakPolarHBondContact O-CB 3.26Å; S334-R337 PolarHBondContact O-N 3.38Å; R337-L339 VanDerWaalsContact C-N 3.34Å; R337-H340 PolarHBondContact O-N 2.82Å; R337-L341 HydrophobicContact CG-CD1 4.12Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 3.35Å; R337-E393 IonicContact CZ-OE1 3.5Å; R337-E393 IonicContact CZ-OE2 3.07Å; R337-E393 IonicContact NH1-OE1 2.75Å; R337-E393 PolarHBondContact NH1-OE1 3.07Å; R337-E393 IonicContact NH1-OE2 2.73Å; R337-E393 PolarHBondContact NH1-OE2 3.17Å; R337-E393 IonicContact NH2-OE1 2.85Å; R337-E393 PolarHBondContact NH2-OE1 2.9Å; R337-E393 IonicContact NH2-OE2 3.62Å; R337-E393 PolarHBondContact NH2-OE2 2.82Å |
| 338 | H | 98.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -32.3 | 178 | -76 | -84.5 | 0 | 0 | 0 | 112.9 | S334 H335 M336 L341 S342 Y390 F457 D458 A459 | S334-H338 PolarHBondContact O-CD2 3.09Å; S334-H338 PolarHBondContact O-N 2.92Å; S334-H338 PolarHBondContact OG-CD2 3.16Å; H335-H338 PolarHBondContact O-N 3.21Å; M336-H338 VanDerWaalsContact C-N 3.29Å; M336-H338 PolarHBondContact O-N 3.24Å; H338-L341 PolarHBondContact O-N 3.01Å; H338-S342 WeakPolarHBondContact O-CB 3.41Å; H338-S342 PolarHBondContact O-N 3.24Å; H338-Y390 PolarHBondContact CE1-OH 3.25Å; H338-F457 HydrophobicContact CB-CB 4.28Å; H338-D458 IonicContact CE1-OD2 2.85Å; H338-D458 PolarHBondContact ND1-N 3.41Å; H338-D458 IonicContact NE2-OD2 3.76Å; H338-A459 HydrophobicContact CB-CB 3.83Å |
| 339 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 169.1 | -75.5 | 175 | 0 | 0 | 0 | 112 | H335 M336 R337 L341 S342 L343 A459 L462 L463 V498 Q499 | H335-L339 PolarHBondContact O-N 3.09Å; M336-L339 WeakPolarHBondContact O-CB 3.38Å; M336-L339 PolarHBondContact O-N 3.01Å; M336-L339 VanDerWaalsContact O-N 3.14Å; M336-L339 HydrophobicContact SD-CD1 4.19Å; R337-L339 VanDerWaalsContact C-N 3.34Å; L339-L341 VanDerWaalsContact C-N 3.33Å; L339-L341 PolarHBondContact O-N 2.82Å; L339-S342 WeakPolarHBondContact O-CB 3.34Å; L339-S342 PolarHBondContact O-N 3.3Å; L339-L343 WeakPolarHBondContact O-CB 3.47Å; L339-L343 PolarHBondContact O-N 3.37Å; L339-A459 HydrophobicContact CD2-CB 4.49Å; L339-A459 HydrophobicContact CG-CB 4.46Å; L339-L462 HydrophobicContact CD1-CB 4.29Å; L339-L462 HydrophobicContact CD1-CD1 3.68Å; L339-L462 HydrophobicContact CD2-CB 4.03Å; L339-L462 HydrophobicContact CG-CB 4.42Å; L339-L462 HydrophobicContact CG-CD1 4.19Å; L339-L463 HydrophobicContact CD2-CD2 3.95Å; L339-V498 HydrophobicContact CB-CB 4.38Å; L339-V498 HydrophobicContact CB-CG1 3.83Å; L339-Q499 HydrophobicContact CD1-CG 3.76Å; L339-Q499 HydrophobicContact CD2-CG 3.99Å |
| 340 | H | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 6% | 0.06 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 175.4 | -77.6 | -75.1 | 0 | 0 | 0 | 112.9 | R325 M336 R337 G344 | R325-H340 HydrophobicContact CG-CB 4.11Å; R325-H340 PolarHBondContact NH2-O 3.49Å; R325-H340 VanDerWaalsContact NH2-O 3.11Å; M336-H340 PolarHBondContact O-CD2 2.71Å; M336-H340 VanDerWaalsContact O-CD2 3.25Å; M336-H340 PolarHBondContact O-N 3.02Å; R337-H340 PolarHBondContact O-N 2.82Å; H340-G344 PolarHBondContact O-N 2.54Å |
| 341 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 172.2 | -76.8 | 166.2 | 0 | 0 | 0 | 111.4 | R337 H338 L339 G344 Y345 Y390 F457 | R337-L341 HydrophobicContact CG-CD1 4.12Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 3.35Å; H338-L341 PolarHBondContact O-N 3.01Å; L339-L341 VanDerWaalsContact C-N 3.33Å; L339-L341 PolarHBondContact O-N 2.82Å; L341-G344 PolarHBondContact O-N 3Å; L341-Y345 WeakPolarHBondContact O-CB 3.39Å; L341-Y345 PolarHBondContact O-N 3Å; L341-Y390 HydrophobicContact CD1-CD1 4.17Å; L341-Y390 HydrophobicContact CD1-CD2 3.9Å; L341-Y390 HydrophobicContact CD1-CE1 3.97Å; L341-Y390 HydrophobicContact CD1-CE2 3.71Å; L341-Y390 HydrophobicContact CD1-CG 4.14Å; L341-Y390 HydrophobicContact CD2-CD1 4.07Å; L341-Y390 HydrophobicContact CD2-CD2 4.38Å; L341-Y390 HydrophobicContact CD2-CG 3.94Å; L341-F457 HydrophobicContact CB-CD1 3.77Å; L341-F457 HydrophobicContact CB-CE1 3.63Å |
| 342 | S | 98.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 11% | 0.105 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | H338 L339 Y345 K346 | H338-S342 WeakPolarHBondContact O-CB 3.41Å; H338-S342 PolarHBondContact O-N 3.24Å; L339-S342 WeakPolarHBondContact O-CB 3.34Å; L339-S342 PolarHBondContact O-N 3.3Å; S342-Y345 PolarHBondContact O-N 2.84Å; S342-K346 WeakPolarHBondContact O-CB 3.46Å; S342-K346 PolarHBondContact O-N 3.24Å |
| 343 | L | 97.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.1 | 179.1 | 62 | 0 | 0 | 0 | 111.8 | L339 Y345 K346 E347 V498 E501 L502 | L339-L343 WeakPolarHBondContact O-CB 3.47Å; L339-L343 PolarHBondContact O-N 3.37Å; L343-Y345 PolarHBondContact O-N 3.22Å; L343-K346 VanDerWaalsContact O-CB 3.31Å; L343-K346 WeakPolarHBondContact O-CB 3Å; L343-K346 PolarHBondContact O-N 3.49Å; L343-E347 PolarHBondContact O-N 3.28Å; L343-V498 HydrophobicContact CB-CG1 4.28Å; L343-V498 HydrophobicContact CD2-CG1 3.99Å; L343-E501 HydrophobicContact CD1-CG 4.17Å; L343-E501 WeakPolarHBondContact CD2-OE2 3.42Å; L343-L502 HydrophobicContact CD1-CB 4.42Å; L343-L502 HydrophobicContact CD1-CD1 4.27Å |
| 344 | G | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H340 L341 K346 E347 L348 E383 | H340-G344 PolarHBondContact O-N 2.54Å; L341-G344 PolarHBondContact O-N 3Å; G344-K346 VanDerWaalsContact C-N 3.33Å; G344-K346 PolarHBondContact O-N 3.19Å; G344-E347 PolarHBondContact O-N 3.22Å; G344-L348 WeakPolarHBondContact O-CB 3.16Å; G344-L348 PolarHBondContact O-N 3.43Å; G344-E383 VanDerWaalsContact CA-CD 3.42Å; G344-E383 WeakPolarHBondContact CA-OE2 3.37Å; G344-E383 WeakPolarHBondContact O-CG 3.46Å |
| 345 | Y | 98.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 172.6 | -176.3 | -118.5 | 0 | 0 | 0 | 111.7 | L341 S342 L343 L348 L349 L387 P455 F457 | L341-Y345 WeakPolarHBondContact O-CB 3.39Å; L341-Y345 PolarHBondContact O-N 3Å; S342-Y345 PolarHBondContact O-N 2.84Å; L343-Y345 PolarHBondContact O-N 3.22Å; Y345-L348 HydrophobicContact CD2-CD2 4.47Å; Y345-L348 WeakPolarHBondContact O-CB 3.28Å; Y345-L348 PolarHBondContact O-N 2.8Å; Y345-L349 HydrophobicContact CD1-CD1 4.12Å; Y345-L349 HydrophobicContact CE1-CD1 3.82Å; Y345-L349 HydrophobicContact CE1-CD2 4.48Å; Y345-L349 HydrophobicContact CE1-CG 4.3Å; Y345-L349 HydrophobicContact CE2-CD2 4.38Å; Y345-L349 HydrophobicContact CE2-CG 4.49Å; Y345-L349 WeakPolarHBondContact O-CG 3.48Å; Y345-L349 PolarHBondContact O-N 3.11Å; Y345-L387 HydrophobicContact CD2-CD2 3.75Å; Y345-L387 HydrophobicContact CE2-CD2 4.13Å; Y345-P455 HydrophobicContact CD1-CG 3.97Å; Y345-P455 HydrophobicContact CD2-CG 3.83Å; Y345-P455 HydrophobicContact CE1-CG 4.15Å; Y345-P455 HydrophobicContact CE2-CG 4.01Å; Y345-P455 HydrophobicContact CG-CG 3.8Å; Y345-F457 HydrophobicContact CD1-CE2 4.38Å; Y345-F457 HydrophobicContact CD1-CZ 4.25Å; Y345-F457 HydrophobicContact CG-CZ 4.22Å |
| 346 | K | 97.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.083 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 172.7 | 175.6 | 59.4 | 168.6 | 170.3 | 0 | 111.6 | S342 L343 G344 L348 L349 E350 L502 R505 D509 | S342-K346 WeakPolarHBondContact O-CB 3.46Å; S342-K346 PolarHBondContact O-N 3.24Å; L343-K346 VanDerWaalsContact O-CB 3.31Å; L343-K346 WeakPolarHBondContact O-CB 3Å; L343-K346 PolarHBondContact O-N 3.49Å; G344-K346 VanDerWaalsContact C-N 3.33Å; G344-K346 PolarHBondContact O-N 3.19Å; K346-L348 VanDerWaalsContact C-N 3.35Å; K346-L348 PolarHBondContact O-N 3.19Å; K346-L349 WeakPolarHBondContact O-CB 3.19Å; K346-L349 PolarHBondContact O-N 3.23Å; K346-E350 WeakPolarHBondContact CE-OE1 3.36Å; K346-E350 IonicContact NZ-OE1 2.52Å; K346-E350 WeakPolarHBondContact O-CG 3.46Å; K346-E350 PolarHBondContact O-N 2.73Å; K346-E350 VanDerWaalsContact O-N 3.08Å; K346-L502 HydrophobicContact CB-CD1 4.06Å; K346-L502 HydrophobicContact CG-CD1 4.15Å; K346-R505 HydrophobicContact CG-CB 4.32Å; K346-D509 IonicContact NZ-OD2 3.37Å; K346-D509 PolarHBondContact NZ-OD2 3.06Å |
| 347 | E | 97.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 176.6 | -71.1 | -177.6 | 132.1 | 0 | 0 | 113.1 | L343 G344 E350 E351 R379 R505 K566 | L343-E347 PolarHBondContact O-N 3.28Å; G344-E347 PolarHBondContact O-N 3.22Å; E347-E350 PolarHBondContact O-N 2.95Å; E347-E351 WeakPolarHBondContact O-CB 3.35Å; E347-E351 PolarHBondContact O-N 3.41Å; E347-R379 IonicContact OE1-NH2 3.67Å; E347-R379 IonicContact OE2-CZ 4Å; E347-R379 IonicContact OE2-NE 2.75Å; E347-R379 PolarHBondContact OE2-NE 2.99Å; E347-R379 IonicContact OE2-NH2 3.48Å; E347-R379 PolarHBondContact OE2-NH2 2.79Å; E347-R505 IonicContact OE1-CZ 2.93Å; E347-R505 IonicContact OE1-NH1 3.97Å; E347-R505 IonicContact OE1-NH2 3.05Å; E347-R505 PolarHBondContact OE1-NH2 3.05Å; E347-K566 IonicContact OE1-NZ 3.46Å; E347-K566 PolarHBondContact OE1-NZ 2.84Å |
| 348 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 174 | 178.4 | 59.4 | 0 | 0 | 0 | 111.7 | G344 Y345 K346 E350 E351 V352 I380 E383 K384 L387 L450 | G344-L348 WeakPolarHBondContact O-CB 3.16Å; G344-L348 PolarHBondContact O-N 3.43Å; Y345-L348 HydrophobicContact CD2-CD2 4.47Å; Y345-L348 WeakPolarHBondContact O-CB 3.28Å; Y345-L348 PolarHBondContact O-N 2.8Å; K346-L348 VanDerWaalsContact C-N 3.35Å; K346-L348 PolarHBondContact O-N 3.19Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E351 PolarHBondContact O-N 3.28Å; L348-V352 HydrophobicContact CD1-CG2 4.08Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 2.85Å; L348-I380 HydrophobicContact CD1-CD1 3.76Å; L348-E383 HydrophobicContact CB-CB 3.88Å; L348-E383 HydrophobicContact CD1-CB 4.42Å; L348-K384 HydrophobicContact CD1-CB 3.94Å; L348-K384 HydrophobicContact CD2-CB 4.12Å; L348-L387 HydrophobicContact CD2-CD2 4.05Å; L348-L450 HydrophobicContact CD2-CD2 4.49Å; L348-L450 HydrophobicContact CG-CD2 4.09Å |
| 349 | L | 98.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 176.3 | -66.7 | 171.6 | 0 | 0 | 0 | 111.2 | Y345 K346 K353 L450 | Y345-L349 HydrophobicContact CD1-CD1 4.12Å; Y345-L349 HydrophobicContact CE1-CD1 3.82Å; Y345-L349 HydrophobicContact CE1-CD2 4.48Å; Y345-L349 HydrophobicContact CE1-CG 4.3Å; Y345-L349 HydrophobicContact CE2-CD2 4.38Å; Y345-L349 HydrophobicContact CE2-CG 4.49Å; Y345-L349 WeakPolarHBondContact O-CG 3.48Å; Y345-L349 PolarHBondContact O-N 3.11Å; K346-L349 WeakPolarHBondContact O-CB 3.19Å; K346-L349 PolarHBondContact O-N 3.23Å; L349-K353 VanDerWaalsContact O-CB 3.31Å; L349-K353 WeakPolarHBondContact O-CB 3.44Å; L349-K353 PolarHBondContact O-N 2.72Å; L349-L450 HydrophobicContact CD2-CD1 3.52Å; L349-L450 HydrophobicContact CD2-CD2 3.74Å; L349-L450 HydrophobicContact CD2-CG 4.29Å |
| 350 | E | 96.5 | Very high | 97.3 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.4 | -70.8 | 166.4 | -180 | 0 | 0 | 111.5 | K346 E347 L348 K353 R354 R505 | K346-E350 WeakPolarHBondContact CE-OE1 3.36Å; K346-E350 IonicContact NZ-OE1 2.52Å; K346-E350 WeakPolarHBondContact O-CG 3.46Å; K346-E350 PolarHBondContact O-N 2.73Å; K346-E350 VanDerWaalsContact O-N 3.08Å; E347-E350 PolarHBondContact O-N 2.95Å; L348-E350 VanDerWaalsContact C-N 3.34Å; E350-K353 WeakPolarHBondContact O-CB 3.34Å; E350-K353 PolarHBondContact O-N 2.92Å; E350-R354 WeakPolarHBondContact O-CB 3.45Å; E350-R354 PolarHBondContact O-N 3.42Å; E350-R505 IonicContact OE1-NH1 2.74Å; E350-R505 IonicContact OE2-CZ 3.52Å; E350-R505 IonicContact OE2-NH1 2.78Å; E350-R505 PolarHBondContact OE2-NH1 3.29Å |
| 351 | E | 96.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.9 | -42.5 | -177.9 | -172.3 | 70.1 | 162.2 | 0 | 0 | 112.3 | E347 L348 K353 R354 L355 S378 R379 I380 | E347-E351 WeakPolarHBondContact O-CB 3.35Å; E347-E351 PolarHBondContact O-N 3.41Å; L348-E351 PolarHBondContact O-N 3.28Å; E351-K353 VanDerWaalsContact C-N 3.32Å; E351-K353 PolarHBondContact O-N 3.49Å; E351-R354 PolarHBondContact O-N 3.36Å; E351-R354 IonicContact OE1-CZ 3.91Å; E351-R354 IonicContact OE1-NE 3.18Å; E351-R354 IonicContact OE1-NH2 3.39Å; E351-R354 PolarHBondContact OE1-NH2 3.47Å; E351-R354 IonicContact OE2-CZ 3.7Å; E351-R354 IonicContact OE2-NE 3.85Å; E351-R354 PolarHBondContact OE2-NE 3.17Å; E351-R354 IonicContact OE2-NH2 2.73Å; E351-R354 PolarHBondContact OE2-NH2 2.96Å; E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 PolarHBondContact O-N 3.16Å; E351-S378 WeakPolarHBondContact OE1-CA 3.45Å; E351-S378 WeakPolarHBondContact OE1-CB 3.49Å; E351-R379 HydrophobicContact CB-CB 4.23Å; E351-R379 HydrophobicContact CG-CB 4.1Å; E351-R379 PolarHBondContact OE1-N 3.09Å; E351-I380 HydrophobicContact CB-CD1 4.3Å; E351-I380 HydrophobicContact CG-CD1 3.88Å; E351-I380 HydrophobicContact CG-CG1 4.08Å |
| 352 | V | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L348 R354 G356 P357 T362 I380 L450 | L348-V352 HydrophobicContact CD1-CG2 4.08Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 2.85Å; V352-R354 VanDerWaalsContact C-N 3.33Å; V352-G356 CarbonylContact O-C 3.54Å; V352-G356 VanDerWaalsContact O-C 3.3Å; V352-G356 VanDerWaalsContact O-CA 3.3Å; V352-G356 WeakPolarHBondContact O-CA 3.3Å; V352-G356 PolarHBondContact O-N 2.94Å; V352-P357 HydrophobicContact CG1-CB 4.28Å; V352-T362 HydrophobicContact CG2-CG2 4.29Å; V352-I380 HydrophobicContact CG2-CD1 3.65Å; V352-L450 HydrophobicContact CB-CD2 4.06Å; V352-L450 HydrophobicContact CB-CG 4.37Å; V352-L450 HydrophobicContact CG1-CD2 4.37Å; V352-L450 HydrophobicContact CG1-CG 4.13Å; V352-L450 HydrophobicContact CG2-CD2 3.85Å; V352-L450 HydrophobicContact CG2-CG 4.4Å |
| 353 | K | 96.7 | Very high | 97.2 | Very high | 156 Ų | 156 | 46.3 Ų | 46.3 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.5 | -41.2 | 173.1 | -179.3 | -175.5 | 177 | -173.6 | 0 | 111.3 | L349 E350 E351 D509 | L349-K353 VanDerWaalsContact O-CB 3.31Å; L349-K353 WeakPolarHBondContact O-CB 3.44Å; L349-K353 PolarHBondContact O-N 2.72Å; E350-K353 WeakPolarHBondContact O-CB 3.34Å; E350-K353 PolarHBondContact O-N 2.92Å; E351-K353 VanDerWaalsContact C-N 3.32Å; E351-K353 PolarHBondContact O-N 3.49Å; K353-D509 IonicContact NZ-OD1 3.95Å |
| 354 | R | 93.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 46 Ų | 46 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.4 | -46.1 | -179 | -173.1 | -170.8 | 65.7 | 71.8 | -5.3 | 112.8 | E350 E351 V352 | E350-R354 WeakPolarHBondContact O-CB 3.45Å; E350-R354 PolarHBondContact O-N 3.42Å; E351-R354 PolarHBondContact O-N 3.36Å; E351-R354 IonicContact OE1-CZ 3.91Å; E351-R354 IonicContact OE1-NE 3.18Å; E351-R354 IonicContact OE1-NH2 3.39Å; E351-R354 PolarHBondContact OE1-NH2 3.47Å; E351-R354 IonicContact OE2-CZ 3.7Å; E351-R354 IonicContact OE2-NE 3.85Å; E351-R354 PolarHBondContact OE2-NE 3.17Å; E351-R354 IonicContact OE2-NH2 2.73Å; E351-R354 PolarHBondContact OE2-NH2 2.96Å; V352-R354 VanDerWaalsContact C-N 3.33Å |
| 355 | L | 94.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76 | -34.9 | 179.3 | -69.4 | 171.1 | 0 | 0 | 0 | 111.7 | E351 D359 T362 I380 | E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 PolarHBondContact O-N 3.16Å; L355-D359 HydrophobicContact CB-CB 4.17Å; L355-T362 HydrophobicContact CB-CG2 3.96Å; L355-T362 HydrophobicContact CD1-CG2 3.95Å; L355-I380 HydrophobicContact CD1-CG1 4.12Å |
| 356 | G | 97.4 | Very high | 97 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | trans | 103.6 | 139.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V352 S358 D359 | V352-G356 CarbonylContact O-C 3.54Å; V352-G356 VanDerWaalsContact O-C 3.3Å; V352-G356 VanDerWaalsContact O-CA 3.3Å; V352-G356 WeakPolarHBondContact O-CA 3.3Å; V352-G356 PolarHBondContact O-N 2.94Å; G356-S358 PolarHBondContact O-N 2.67Å; G356-S358 VanDerWaalsContact O-N 3.12Å; G356-D359 WeakPolarHBondContact O-CB 3.47Å; G356-D359 PolarHBondContact O-N 3.45Å; G356-D359 VanDerWaalsContact O-N 3.08Å | ||
| 357 | P | 96.5 | Very high | 96.9 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 59% | 0.591 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.4 | -172.1 | 27.4 | -36.3 | 0 | 0 | 0 | 114.5 | V352 P448 G449 | V352-P357 HydrophobicContact CG1-CB 4.28Å; P357-P448 CarbonylContact O-C 3.54Å; P357-G449 VanDerWaalsContact O-CA 3.23Å; P357-G449 WeakPolarHBondContact O-CA 3.33Å; P357-G449 PolarHBondContact O-N 2.83Å; P357-G449 VanDerWaalsContact O-N 3.16Å |
| 358 | S | 97.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 70% | 0.699 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -1.2 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | G356 | G356-S358 PolarHBondContact O-N 2.67Å; G356-S358 VanDerWaalsContact O-N 3.12Å |
| 359 | D | 97.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | trans | -65.7 | 126.5 | -177.8 | -170.2 | -54.7 | 0 | 0 | 0 | 110.1 | L355 G356 M361 T362 P448 | L355-D359 HydrophobicContact CB-CB 4.17Å; G356-D359 WeakPolarHBondContact O-CB 3.47Å; G356-D359 PolarHBondContact O-N 3.45Å; G356-D359 VanDerWaalsContact O-N 3.08Å; D359-M361 PolarHBondContact O-N 2.82Å; D359-M361 VanDerWaalsContact O-N 3.11Å; D359-M361 VanDerWaalsContact OD1-CB 3.25Å; D359-M361 WeakPolarHBondContact OD1-CB 3.4Å; D359-M361 WeakPolarHBondContact OD1-CG 2.85Å; D359-M361 PolarHBondContact OD1-N 3.37Å; D359-T362 HydrophobicContact CB-CG2 4.26Å; D359-T362 WeakPolarHBondContact O-CB 3.31Å; D359-T362 PolarHBondContact O-N 3.2Å; D359-T362 PolarHBondContact O-OG1 2.55Å; D359-P448 WeakPolarHBondContact O-CB 3.45Å | ||
| 360 | P | 96.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -55.1 | -26 | 178.4 | -25.9 | 35.2 | 0 | 0 | 0 | 114.9 | T362 K363 | P360-T362 PolarHBondContact O-N 3.37Å; P360-K363 WeakPolarHBondContact O-CB 3.45Å; P360-K363 WeakPolarHBondContact O-CD 3.43Å; P360-K363 VanDerWaalsContact O-CG 3.26Å; P360-K363 WeakPolarHBondContact O-CG 3.42Å; P360-K363 PolarHBondContact O-N 2.87Å |
| 361 | M | 95.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -73.2 | -3.5 | 177.8 | -60.2 | -59 | 148.8 | 0 | 0 | 113.4 | D359 V366 A376 | D359-M361 PolarHBondContact O-N 2.82Å; D359-M361 VanDerWaalsContact O-N 3.11Å; D359-M361 VanDerWaalsContact OD1-CB 3.25Å; D359-M361 WeakPolarHBondContact OD1-CB 3.4Å; D359-M361 WeakPolarHBondContact OD1-CG 2.85Å; D359-M361 PolarHBondContact OD1-N 3.37Å; M361-V366 HydrophobicContact SD-CG1 4.21Å; M361-A376 HydrophobicContact SD-CB 3.75Å |
| 362 | T | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -89.9 | 1.7 | 171.1 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | V352 L355 D359 P360 I380 K384 P448 G449 | V352-T362 HydrophobicContact CG2-CG2 4.29Å; L355-T362 HydrophobicContact CB-CG2 3.96Å; L355-T362 HydrophobicContact CD1-CG2 3.95Å; D359-T362 HydrophobicContact CB-CG2 4.26Å; D359-T362 WeakPolarHBondContact O-CB 3.31Å; D359-T362 PolarHBondContact O-N 3.2Å; D359-T362 PolarHBondContact O-OG1 2.55Å; P360-T362 PolarHBondContact O-N 3.37Å; T362-I380 HydrophobicContact CG2-CD1 4.24Å; T362-I380 WeakPolarHBondContact O-CG2 3.28Å; T362-K384 PolarHBondContact O-NZ 3.05Å; T362-P448 VanDerWaalsContact OG1-CA 3.27Å; T362-P448 WeakPolarHBondContact OG1-CA 3.4Å; T362-P448 VanDerWaalsContact OG1-CB 3.29Å; T362-P448 WeakPolarHBondContact OG1-CB 3.36Å; T362-G449 PolarHBondContact OG1-N 3.4Å |
| 363 | K | 98.2 | Very high | 95.7 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -76.8 | 153.9 | 170.5 | -62.9 | 174.2 | -178.7 | -176.6 | 0 | 110.4 | P360 I365 V366 R446 P448 | P360-K363 WeakPolarHBondContact O-CB 3.45Å; P360-K363 WeakPolarHBondContact O-CD 3.43Å; P360-K363 VanDerWaalsContact O-CG 3.26Å; P360-K363 WeakPolarHBondContact O-CG 3.42Å; P360-K363 PolarHBondContact O-N 2.87Å; K363-I365 WeakPolarHBondContact CB-O 3.27Å; K363-V366 HydrophobicContact CB-CG1 4.39Å; K363-R446 VanDerWaalsContact CD-O 3.28Å; K363-R446 WeakPolarHBondContact CD-O 3.4Å; K363-R446 WeakPolarHBondContact CE-O 3.18Å; K363-P448 HydrophobicContact CG-CB 4.43Å |
| 364 | L | 98.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -76.3 | -40.2 | 168.5 | -68.8 | 179.7 | 0 | 0 | 0 | 111.1 | W314 K384 L388 M445 | W314-L364 HydrophobicContact CB-CB 4.22Å; W314-L364 HydrophobicContact CB-CD2 3.86Å; W314-L364 HydrophobicContact CD2-CB 4.33Å; W314-L364 HydrophobicContact CD2-CD1 4.31Å; W314-L364 HydrophobicContact CE3-CD1 4.42Å; W314-L364 HydrophobicContact CG-CB 3.84Å; W314-L364 HydrophobicContact CG-CD2 4.23Å; W314-L364 HydrophobicContact CG-CG 4.44Å; L364-K384 HydrophobicContact CD1-CG 4.29Å; L364-K384 HydrophobicContact CD2-CB 3.71Å; L364-K384 HydrophobicContact CD2-CD 4.09Å; L364-K384 HydrophobicContact CD2-CG 3.79Å; L364-K384 HydrophobicContact CG-CB 4.47Å; L364-K384 HydrophobicContact CG-CD 4.08Å; L364-K384 HydrophobicContact CG-CG 3.99Å; L364-L388 HydrophobicContact CD1-CD2 4.09Å; L364-M445 PolarHBondContact N-O 2.99Å; L364-M445 VanDerWaalsContact N-O 3.17Å |
| 365 | I | 97.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -101.5 | 101.1 | 172.9 | -51 | 174.2 | 0 | 0 | 0 | 107.6 | E311 K363 S419 M445 R446 | E311-I365 WeakPolarHBondContact O-CA 3.34Å; K363-I365 WeakPolarHBondContact CB-O 3.27Å; I365-S419 VanDerWaalsContact CD1-CB 3.43Å; I365-S419 WeakPolarHBondContact CD1-OG 3.19Å; I365-M445 HydrophobicContact CD1-CB 3.88Å; I365-M445 HydrophobicContact CD1-SD 4.42Å; I365-M445 HydrophobicContact CG1-CB 4.23Å; I365-M445 PolarHBondContact N-O 2.94Å; I365-R446 HydrophobicContact CD1-CG 4.33Å |
| 366 | V | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | trans | -85.8 | 166.6 | 177.4 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | E311 M361 K363 L368 A376 | E311-V366 VanDerWaalsContact CB-O 3.32Å; E311-V366 WeakPolarHBondContact CB-O 3.45Å; E311-V366 VanDerWaalsContact CG-O 3.3Å; E311-V366 WeakPolarHBondContact CG-O 3.02Å; E311-V366 PolarHBondContact O-N 2.88Å; M361-V366 HydrophobicContact SD-CG1 4.21Å; K363-V366 HydrophobicContact CB-CG1 4.39Å; V366-L368 HydrophobicContact CG2-CD1 3.98Å; V366-L368 HydrophobicContact CG2-CD2 4.03Å; V366-L368 HydrophobicContact CG2-CG 3.75Å; V366-A376 HydrophobicContact CG2-CB 4.37Å | ||
| 367 | D | 95 | Very high | 94.4 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | trans | -107.1 | 118.3 | 168.7 | 179.4 | -9.5 | 0 | 0 | 0 | 107.1 | K369 | D367-K369 VanDerWaalsContact OD1-CB 3.28Å; D367-K369 WeakPolarHBondContact OD1-CB 3.46Å; D367-K369 PolarHBondContact OD1-N 2.92Å | ||
| 368 | L | 94.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -112.4 | 17.8 | -177.1 | -65.1 | 176.3 | 0 | 0 | 0 | 112.6 | W310 E311 V366 G370 I371 P373 A376 | W310-L368 HydrophobicContact CB-CD1 3.66Å; E311-L368 HydrophobicContact CG-CB 4.01Å; E311-L368 HydrophobicContact CG-CD1 4.21Å; E311-L368 HydrophobicContact CG-CG 4.06Å; E311-L368 PolarHBondContact OE1-N 3.14Å; V366-L368 HydrophobicContact CG2-CD1 3.98Å; V366-L368 HydrophobicContact CG2-CD2 4.03Å; V366-L368 HydrophobicContact CG2-CG 3.75Å; L368-G370 PolarHBondContact O-N 3Å; L368-I371 HydrophobicContact CD2-CB 4.32Å; L368-I371 HydrophobicContact CD2-CG2 4.05Å; L368-I371 PolarHBondContact O-N 2.9Å; L368-P373 HydrophobicContact CD1-CB 4.17Å; L368-P373 HydrophobicContact CD1-CG 4.34Å; L368-A376 HydrophobicContact CD2-CB 3.9Å | ||
| 369 | K | 93.6 | Very high | 94.1 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 107.8 | 179.8 | -172.1 | -178 | 179.6 | 179.6 | 0 | 111.4 | D367 I371 | D367-K369 VanDerWaalsContact OD1-CB 3.28Å; D367-K369 WeakPolarHBondContact OD1-CB 3.46Å; D367-K369 PolarHBondContact OD1-N 2.92Å; K369-I371 PolarHBondContact O-N 3.13Å |
| 370 | G | 92.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 49 Ų | 49 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L368 | L368-G370 PolarHBondContact O-N 3Š|
| 371 | I | 92.7 | Very high | 94.3 | Very high | 51 Ų | 51 | 46 Ų | 46 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -110.3 | 140.3 | 177.9 | -62.9 | 167.1 | 0 | 0 | 0 | 107.7 | F85 L368 K369 P373 E375 | F85-I371 WeakPolarHBondContact CE1-O 3.25Å; L368-I371 HydrophobicContact CD2-CB 4.32Å; L368-I371 HydrophobicContact CD2-CG2 4.05Å; L368-I371 PolarHBondContact O-N 2.9Å; K369-I371 PolarHBondContact O-N 3.13Å; I371-P373 WeakPolarHBondContact O-CD 3.4Å; I371-E375 HydrophobicContact CG2-CB 4.14Å |
| 372 | D | 93 | Very high | 94.4 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | trans | -66 | 123 | 172.3 | -168 | -20.2 | 0 | 0 | 0 | 109.4 | A84 D374 E375 | A84-D372 HydrophobicContact CB-CB 3.6Å; A84-D372 VanDerWaalsContact CB-CG 3.49Å; A84-D372 VanDerWaalsContact CB-OD2 3.25Å; A84-D372 WeakPolarHBondContact CB-OD2 3.38Å; D372-D374 PolarHBondContact O-N 3.06Å; D372-D374 VanDerWaalsContact O-N 3.09Å; D372-D374 PolarHBondContact OD1-N 2.86Å; D372-D374 VanDerWaalsContact OD1-N 3.16Å; D372-E375 HydrophobicContact CB-CG 4.21Å; D372-E375 VanDerWaalsContact O-CB 3.32Å; D372-E375 WeakPolarHBondContact O-CB 3.47Å; D372-E375 PolarHBondContact O-N 3.42Å | ||
| 373 | P | 93.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -53 | -29 | 176.8 | -28.9 | 37.3 | 0 | 0 | 0 | 114.3 | S8 A137 I138 W310 L368 I371 E375 A376 | S8-P373 VanDerWaalsContact OG-CG 3.31Å; S8-P373 WeakPolarHBondContact OG-CG 3Å; A137-P373 HydrophobicContact CB-CB 3.74Å; A137-P373 HydrophobicContact CB-CG 4.46Å; I138-P373 HydrophobicContact CD1-CG 4.21Å; I138-P373 HydrophobicContact CG1-CG 4.3Å; I138-P373 HydrophobicContact CG2-CG 4.18Å; W310-P373 HydrophobicContact CB-CB 3.95Å; W310-P373 HydrophobicContact CB-CG 4.11Å; W310-P373 HydrophobicContact CG-CB 4.01Å; W310-P373 HydrophobicContact CG-CG 4.06Å; L368-P373 HydrophobicContact CD1-CB 4.17Å; L368-P373 HydrophobicContact CD1-CG 4.34Å; I371-P373 WeakPolarHBondContact O-CD 3.4Å; P373-E375 PolarHBondContact O-N 3.13Å; P373-A376 PolarHBondContact O-N 2.8Å |
| 374 | D | 91 | Very high | 94.4 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -62.6 | -23.5 | 176.5 | -77.3 | 0.8 | 0 | 0 | 0 | 112.8 | H139 D372 A376 Y377 | H139-D374 IonicContact CE1-OD2 2.75Å; H139-D374 IonicContact NE2-OD1 3.12Å; H139-D374 IonicContact NE2-OD2 3.58Å; H139-D374 PolarHBondContact NE2-OD2 3.37Å; D372-D374 PolarHBondContact O-N 3.06Å; D372-D374 VanDerWaalsContact O-N 3.09Å; D372-D374 PolarHBondContact OD1-N 2.86Å; D372-D374 VanDerWaalsContact OD1-N 3.16Å; D374-A376 VanDerWaalsContact C-N 3.26Å; D374-A376 PolarHBondContact O-N 3.46Å; D374-Y377 WeakPolarHBondContact O-CB 3.37Å; D374-Y377 PolarHBondContact O-N 3.33Å |
| 375 | E | 87.8 | Confident | 94.5 | Very high | 140 Ų | 140 | 42.1 Ų | 42.1 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -69.2 | -24.6 | 174.7 | -68.9 | -176.1 | -135.8 | 0 | 0 | 112.8 | I371 D372 P373 Y377 | I371-E375 HydrophobicContact CG2-CB 4.14Å; D372-E375 HydrophobicContact CB-CG 4.21Å; D372-E375 VanDerWaalsContact O-CB 3.32Å; D372-E375 WeakPolarHBondContact O-CB 3.47Å; D372-E375 PolarHBondContact O-N 3.42Å; P373-E375 PolarHBondContact O-N 3.13Å; E375-Y377 VanDerWaalsContact C-N 3.34Å |
| 376 | A | 90.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -86.2 | -4.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M361 V366 L368 P373 D374 S378 | M361-A376 HydrophobicContact SD-CB 3.75Å; V366-A376 HydrophobicContact CG2-CB 4.37Å; L368-A376 HydrophobicContact CD2-CB 3.9Å; P373-A376 PolarHBondContact O-N 2.8Å; D374-A376 VanDerWaalsContact C-N 3.26Å; D374-A376 PolarHBondContact O-N 3.46Å; A376-S378 PolarHBondContact O-N 3.43Å; A376-S378 PolarHBondContact O-OG 3.01Å |
| 377 | Y | 87 | Confident | 94.6 | Very high | 118 Ų | 118 | 40.2 Ų | 40.2 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | trans | -59.6 | 120.3 | 178.4 | -177.6 | -92.7 | 0 | 0 | 0 | 111.5 | D374 E375 Y382 | D374-Y377 WeakPolarHBondContact O-CB 3.37Å; D374-Y377 PolarHBondContact O-N 3.33Å; E375-Y377 VanDerWaalsContact C-N 3.34Å; Y377-Y382 HydrophobicContact CE2-CE2 4.45Å | ||
| 378 | S | 93 | Very high | 94.8 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -163.9 | 175.2 | -176.4 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | E351 A376 I380 P381 Y382 | E351-S378 WeakPolarHBondContact OE1-CA 3.45Å; E351-S378 WeakPolarHBondContact OE1-CB 3.49Å; A376-S378 PolarHBondContact O-N 3.43Å; A376-S378 PolarHBondContact O-OG 3.01Å; S378-I380 PolarHBondContact O-N 3.09Å; S378-I380 WeakPolarHBondContact OG-CB 3.38Å; S378-I380 WeakPolarHBondContact OG-CG1 3.36Å; S378-I380 PolarHBondContact OG-N 3.4Å; S378-P381 WeakPolarHBondContact O-CD 3.32Å; S378-P381 WeakPolarHBondContact OG-CD 3.17Å; S378-Y382 WeakPolarHBondContact O-CD2 3.35Å; S378-Y382 VanDerWaalsContact O-CE2 3.3Å; S378-Y382 WeakPolarHBondContact O-CE2 3.3Å |
| 379 | R | 95.1 | Very high | 95 | Very high | 72 Ų | 72 | 35.2 Ų | 35.2 | 27% | 0.272 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -75.8 | -6.3 | 170.3 | -68.1 | -67.5 | -83.6 | 158.7 | -3.2 | 113.6 | E347 E351 Y382 E383 | E347-R379 IonicContact OE1-NH2 3.67Å; E347-R379 IonicContact OE2-CZ 4Å; E347-R379 IonicContact OE2-NE 2.75Å; E347-R379 PolarHBondContact OE2-NE 2.99Å; E347-R379 IonicContact OE2-NH2 3.48Å; E347-R379 PolarHBondContact OE2-NH2 2.79Å; E351-R379 HydrophobicContact CB-CB 4.23Å; E351-R379 HydrophobicContact CG-CB 4.1Å; E351-R379 PolarHBondContact OE1-N 3.09Å; R379-Y382 WeakPolarHBondContact O-CB 3.39Å; R379-Y382 PolarHBondContact O-N 3.32Å; R379-E383 HydrophobicContact CB-CG 4.43Å; R379-E383 IonicContact CZ-OE1 2.79Å; R379-E383 VanDerWaalsContact CZ-OE1 3.31Å; R379-E383 IonicContact NH1-OE1 2.87Å; R379-E383 IonicContact NH2-OE1 3.58Å; R379-E383 PolarHBondContact NH2-OE1 3.36Å; R379-E383 PolarHBondContact O-N 2.74Å |
| 380 | I | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -56.4 | -176.6 | -55.7 | -63 | 0 | 0 | 0 | 112.6 | L348 E351 V352 L355 T362 S378 Y382 E383 K384 | L348-I380 HydrophobicContact CD1-CD1 3.76Å; E351-I380 HydrophobicContact CB-CD1 4.3Å; E351-I380 HydrophobicContact CG-CD1 3.88Å; E351-I380 HydrophobicContact CG-CG1 4.08Å; V352-I380 HydrophobicContact CG2-CD1 3.65Å; L355-I380 HydrophobicContact CD1-CG1 4.12Å; T362-I380 HydrophobicContact CG2-CD1 4.24Å; T362-I380 WeakPolarHBondContact O-CG2 3.28Å; S378-I380 PolarHBondContact O-N 3.09Å; S378-I380 WeakPolarHBondContact OG-CB 3.38Å; S378-I380 WeakPolarHBondContact OG-CG1 3.36Å; S378-I380 PolarHBondContact OG-N 3.4Å; I380-Y382 PolarHBondContact O-N 3.29Å; I380-E383 PolarHBondContact O-N 2.94Å; I380-K384 HydrophobicContact CG2-CB 4.31Å; I380-K384 HydrophobicContact CG2-CD 4.14Å; I380-K384 VanDerWaalsContact O-CB 3.23Å; I380-K384 WeakPolarHBondContact O-CB 3.34Å; I380-K384 PolarHBondContact O-N 3.02Å |
| 381 | P | 98.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 7% | 0.071 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -33 | -178.6 | 21.8 | -33.2 | 0 | 0 | 0 | 112.8 | F313 W314 E317 G318 S378 G385 | F313-P381 HydrophobicContact CD1-CB 3.92Å; F313-P381 HydrophobicContact CD1-CG 3.73Å; F313-P381 HydrophobicContact CE1-CG 4.04Å; W314-P381 HydrophobicContact CB-CB 3.9Å; E317-P381 HydrophobicContact CB-CB 4.31Å; G318-P381 WeakPolarHBondContact CA-O 3.47Å; G318-P381 PolarHBondContact N-O 3.14Å; S378-P381 WeakPolarHBondContact O-CD 3.32Å; S378-P381 WeakPolarHBondContact OG-CD 3.17Å; P381-G385 PolarHBondContact O-N 3.5Å |
| 382 | Y | 98.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -67.1 | 174.6 | -62 | -100.8 | 0 | 0 | 0 | 111.3 | F313 E317 V321 Y377 S378 R379 I380 S386 | F313-Y382 HydrophobicContact CE1-CE2 4.28Å; E317-Y382 HydrophobicContact CB-CD1 3.89Å; E317-Y382 HydrophobicContact CB-CD2 4.17Å; E317-Y382 HydrophobicContact CB-CE1 4.08Å; E317-Y382 HydrophobicContact CB-CE2 4.33Å; E317-Y382 HydrophobicContact CB-CG 3.91Å; E317-Y382 VanDerWaalsContact CD-CE1 3.45Å; E317-Y382 VanDerWaalsContact CD-CZ 3.45Å; E317-Y382 HydrophobicContact CG-CD1 4.18Å; E317-Y382 HydrophobicContact CG-CD2 4.22Å; E317-Y382 HydrophobicContact CG-CE1 3.86Å; E317-Y382 HydrophobicContact CG-CE2 3.88Å; E317-Y382 HydrophobicContact CG-CG 4.33Å; E317-Y382 WeakPolarHBondContact OE2-CD1 3.45Å; E317-Y382 WeakPolarHBondContact OE2-CE1 3.45Å; E317-Y382 VanDerWaalsContact OE2-CZ 3.27Å; V321-Y382 HydrophobicContact CG2-CD1 3.94Å; V321-Y382 HydrophobicContact CG2-CG 4.48Å; Y377-Y382 HydrophobicContact CE2-CE2 4.45Å; S378-Y382 WeakPolarHBondContact O-CD2 3.35Å; S378-Y382 VanDerWaalsContact O-CE2 3.3Å; S378-Y382 WeakPolarHBondContact O-CE2 3.3Å; R379-Y382 WeakPolarHBondContact O-CB 3.39Å; R379-Y382 PolarHBondContact O-N 3.32Å; I380-Y382 PolarHBondContact O-N 3.29Å; Y382-S386 VanDerWaalsContact O-CB 3.26Å; Y382-S386 WeakPolarHBondContact O-CB 3.23Å; Y382-S386 PolarHBondContact O-N 3.39Å |
| 383 | E | 98.6 | Very high | 96 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -82.1 | -42.3 | -164.6 | -64 | -56.4 | 156.1 | 0 | 0 | 112.4 | R325 G344 L348 R379 I380 G385 L387 | R325-E383 IonicContact CZ-OE2 3.27Å; R325-E383 IonicContact NH1-OE2 3.6Å; R325-E383 PolarHBondContact NH1-OE2 3.21Å; R325-E383 IonicContact NH2-OE1 3.12Å; R325-E383 PolarHBondContact NH2-OE1 3.47Å; R325-E383 IonicContact NH2-OE2 2.77Å; R325-E383 PolarHBondContact NH2-OE2 3.26Å; G344-E383 VanDerWaalsContact CA-CD 3.42Å; G344-E383 WeakPolarHBondContact CA-OE2 3.37Å; G344-E383 WeakPolarHBondContact O-CG 3.46Å; L348-E383 HydrophobicContact CB-CB 3.88Å; L348-E383 HydrophobicContact CD1-CB 4.42Å; R379-E383 HydrophobicContact CB-CG 4.43Å; R379-E383 IonicContact CZ-OE1 2.79Å; R379-E383 VanDerWaalsContact CZ-OE1 3.31Å; R379-E383 IonicContact NH1-OE1 2.87Å; R379-E383 IonicContact NH2-OE1 3.58Å; R379-E383 PolarHBondContact NH2-OE1 3.36Å; R379-E383 PolarHBondContact O-N 2.74Å; I380-E383 PolarHBondContact O-N 2.94Å; E383-G385 VanDerWaalsContact C-N 3.32Å; E383-L387 WeakPolarHBondContact O-CB 3.37Å; E383-L387 PolarHBondContact O-N 3.22Å |
| 384 | K | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.3 | -34.6 | 176.7 | -173.2 | 175.9 | 173.7 | 175.4 | 0 | 110.8 | L348 T362 L364 I380 L388 W444 S447 G449 | L348-K384 HydrophobicContact CD1-CB 3.94Å; L348-K384 HydrophobicContact CD2-CB 4.12Å; T362-K384 PolarHBondContact O-NZ 3.05Å; L364-K384 HydrophobicContact CD1-CG 4.29Å; L364-K384 HydrophobicContact CD2-CB 3.71Å; L364-K384 HydrophobicContact CD2-CD 4.09Å; L364-K384 HydrophobicContact CD2-CG 3.79Å; L364-K384 HydrophobicContact CG-CB 4.47Å; L364-K384 HydrophobicContact CG-CD 4.08Å; L364-K384 HydrophobicContact CG-CG 3.99Å; I380-K384 HydrophobicContact CG2-CB 4.31Å; I380-K384 HydrophobicContact CG2-CD 4.14Å; I380-K384 VanDerWaalsContact O-CB 3.23Å; I380-K384 WeakPolarHBondContact O-CB 3.34Å; I380-K384 PolarHBondContact O-N 3.02Å; K384-L388 PolarHBondContact O-N 2.98Å; K384-L388 VanDerWaalsContact O-N 3.08Å; K384-W444 WeakPolarHBondContact CE-O 3.46Å; K384-W444 HydrophobicContact CG-CE3 4.38Å; K384-S447 PolarHBondContact NZ-O 3.27Å; K384-S447 VanDerWaalsContact NZ-O 3.11Å; K384-G449 PolarHBondContact NZ-O 3.35Å |
| 385 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -47.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P381 E383 L387 L388 L389 | P381-G385 PolarHBondContact O-N 3.5Å; E383-G385 VanDerWaalsContact C-N 3.32Å; G385-L387 VanDerWaalsContact C-N 3.32Å; G385-L387 PolarHBondContact O-N 3.11Å; G385-L388 WeakPolarHBondContact O-CB 3.28Å; G385-L388 PolarHBondContact O-N 3.26Å; G385-L389 PolarHBondContact O-N 3.01Å |
| 386 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | G318 V321 Y322 R325 Y382 L388 L389 Y390 | G318-S386 VanDerWaalsContact O-CA 3.28Å; G318-S386 WeakPolarHBondContact O-CA 3.31Å; G318-S386 WeakPolarHBondContact O-CB 3.42Å; V321-S386 WeakPolarHBondContact CG1-OG 3.47Å; Y322-S386 WeakPolarHBondContact CA-OG 3.46Å; Y322-S386 PolarHBondContact N-OG 3.18Å; R325-S386 PolarHBondContact NH1-OG 2.73Å; Y382-S386 VanDerWaalsContact O-CB 3.26Å; Y382-S386 WeakPolarHBondContact O-CB 3.23Å; Y382-S386 PolarHBondContact O-N 3.39Å; S386-L388 VanDerWaalsContact C-N 3.31Å; S386-L388 PolarHBondContact O-N 2.87Å; S386-L389 PolarHBondContact O-N 2.8Å; S386-Y390 PolarHBondContact O-N 3.28Å |
| 387 | L | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.8 | -30.8 | 179 | -168.2 | 64.4 | 0 | 0 | 0 | 112.4 | Y345 L348 E383 G385 Y390 Y391 W444 P451 W453 P455 | Y345-L387 HydrophobicContact CD2-CD2 3.75Å; Y345-L387 HydrophobicContact CE2-CD2 4.13Å; L348-L387 HydrophobicContact CD2-CD2 4.05Å; E383-L387 WeakPolarHBondContact O-CB 3.37Å; E383-L387 PolarHBondContact O-N 3.22Å; G385-L387 VanDerWaalsContact C-N 3.32Å; G385-L387 PolarHBondContact O-N 3.11Å; L387-Y390 HydrophobicContact CD1-CD1 4.17Å; L387-Y390 PolarHBondContact O-N 3.13Å; L387-Y391 WeakPolarHBondContact O-CB 3.45Å; L387-Y391 PolarHBondContact O-N 3.05Å; L387-W444 HydrophobicContact CB-CH2 4.42Å; L387-W444 HydrophobicContact CB-CZ3 4.24Å; L387-W444 HydrophobicContact CD2-CH2 4.28Å; L387-W444 HydrophobicContact CD2-CZ3 4.49Å; L387-W444 HydrophobicContact CG-CH2 3.99Å; L387-W444 HydrophobicContact CG-CZ3 4.27Å; L387-P451 HydrophobicContact CD2-CG 3.92Å; L387-W453 HydrophobicContact CD1-CE3 4.46Å; L387-W453 HydrophobicContact CD1-CZ3 3.72Å; L387-W453 HydrophobicContact CG-CE3 4.34Å; L387-W453 HydrophobicContact CG-CZ3 4Å; L387-P455 HydrophobicContact CD1-CB 3.99Å; L387-P455 HydrophobicContact CD1-CG 4.03Å |
| 388 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 170.5 | 173.1 | 58.8 | 0 | 0 | 0 | 111.3 | W314 L364 K384 G385 S386 Y390 Y391 L392 W422 L441 W444 M445 | W314-L388 HydrophobicContact CH2-CD2 4.16Å; W314-L388 HydrophobicContact CZ3-CD2 4.18Å; L364-L388 HydrophobicContact CD1-CD2 4.09Å; K384-L388 PolarHBondContact O-N 2.98Å; K384-L388 VanDerWaalsContact O-N 3.08Å; G385-L388 WeakPolarHBondContact O-CB 3.28Å; G385-L388 PolarHBondContact O-N 3.26Å; S386-L388 VanDerWaalsContact C-N 3.31Å; S386-L388 PolarHBondContact O-N 2.87Å; L388-Y390 VanDerWaalsContact C-N 3.34Å; L388-Y391 HydrophobicContact CD1-CD1 4.48Å; L388-Y391 WeakPolarHBondContact O-CB 3.28Å; L388-Y391 PolarHBondContact O-N 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.2Å; L388-L392 PolarHBondContact O-N 3.31Å; L388-W422 HydrophobicContact CD2-CH2 4.23Å; L388-L441 HydrophobicContact CD1-CD2 3.77Å; L388-W444 HydrophobicContact CB-CD2 4.4Å; L388-W444 HydrophobicContact CB-CE3 3.78Å; L388-W444 HydrophobicContact CB-CZ3 3.96Å; L388-W444 HydrophobicContact CD1-CB 4.19Å; L388-W444 HydrophobicContact CD1-CD2 3.88Å; L388-W444 HydrophobicContact CD1-CE3 4.14Å; L388-W444 HydrophobicContact CD1-CG 3.91Å; L388-W444 HydrophobicContact CG-CE3 4.47Å; L388-M445 HydrophobicContact CD2-CG 4.43Å |
| 389 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 176.1 | -67.1 | 169.9 | 0 | 0 | 0 | 111.8 | H319 Y322 G385 S386 L392 E393 M401 W404 W422 | H319-L389 HydrophobicContact CB-CD1 4.22Å; Y322-L389 HydrophobicContact CD1-CB 4.27Å; Y322-L389 HydrophobicContact CD1-CD1 4.08Å; Y322-L389 HydrophobicContact CD2-CB 3.59Å; Y322-L389 HydrophobicContact CE2-CB 3.99Å; Y322-L389 HydrophobicContact CG-CB 3.74Å; Y322-L389 HydrophobicContact CG-CD1 3.84Å; Y322-L389 HydrophobicContact CG-CG 4.45Å; G385-L389 PolarHBondContact O-N 3.01Å; S386-L389 PolarHBondContact O-N 2.8Å; L389-L392 HydrophobicContact CD2-CD1 4.43Å; L389-L392 PolarHBondContact O-N 2.98Å; L389-E393 PolarHBondContact O-N 3.03Å; L389-M401 HydrophobicContact CD2-CE 4.27Å; L389-W404 HydrophobicContact CD2-CH2 4.48Å; L389-W404 HydrophobicContact CD2-CZ3 4.16Å; L389-W422 HydrophobicContact CD2-CZ2 3.96Å |
| 390 | Y | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 173.9 | -176.1 | -120.7 | 0 | 0 | 0 | 112.2 | H338 L341 S386 L387 L388 L392 E393 T394 W453 K456 | H338-Y390 PolarHBondContact CE1-OH 3.25Å; L341-Y390 HydrophobicContact CD1-CD1 4.17Å; L341-Y390 HydrophobicContact CD1-CD2 3.9Å; L341-Y390 HydrophobicContact CD1-CE1 3.97Å; L341-Y390 HydrophobicContact CD1-CE2 3.71Å; L341-Y390 HydrophobicContact CD1-CG 4.14Å; L341-Y390 HydrophobicContact CD2-CD1 4.07Å; L341-Y390 HydrophobicContact CD2-CD2 4.38Å; L341-Y390 HydrophobicContact CD2-CG 3.94Å; S386-Y390 PolarHBondContact O-N 3.28Å; L387-Y390 HydrophobicContact CD1-CD1 4.17Å; L387-Y390 PolarHBondContact O-N 3.13Å; L388-Y390 VanDerWaalsContact C-N 3.34Å; Y390-L392 VanDerWaalsContact C-N 3.34Å; Y390-L392 PolarHBondContact O-N 3.32Å; Y390-E393 HydrophobicContact CD2-CB 4.46Å; Y390-E393 WeakPolarHBondContact O-CA 3.4Å; Y390-E393 WeakPolarHBondContact O-CB 3.24Å; Y390-E393 PolarHBondContact O-N 3.33Å; Y390-E393 VanDerWaalsContact O-N 3.11Å; Y390-T394 HydrophobicContact CE1-CG2 4.36Å; Y390-T394 WeakPolarHBondContact O-CG2 3.35Å; Y390-T394 PolarHBondContact O-N 3.33Å; Y390-W453 AromaticContact CD1-CH2 3.79Å; Y390-W453 HydrophobicContact CD1-CH2 3.79Å; Y390-W453 HydrophobicContact CD1-CZ3 4.21Å; Y390-W453 HydrophobicContact CE1-CH2 4Å; Y390-K456 PolarHBondContact OH-O 2.85Å |
| 391 | Y | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 172.4 | 172.7 | -114.9 | 0 | 0 | 0 | 111.3 | L387 L388 E393 T394 L395 H439 W444 W453 | L387-Y391 WeakPolarHBondContact O-CB 3.45Å; L387-Y391 PolarHBondContact O-N 3.05Å; L388-Y391 HydrophobicContact CD1-CD1 4.48Å; L388-Y391 WeakPolarHBondContact O-CB 3.28Å; L388-Y391 PolarHBondContact O-N 3.26Å; Y391-E393 VanDerWaalsContact C-N 3.3Å; Y391-E393 PolarHBondContact O-N 3.29Å; Y391-T394 PolarHBondContact O-N 3.18Å; Y391-T394 VanDerWaalsContact O-N 3.07Å; Y391-T394 PolarHBondContact O-OG1 3.28Å; Y391-L395 HydrophobicContact CD1-CD1 4.14Å; Y391-L395 HydrophobicContact CE1-CD1 3.64Å; Y391-L395 HydrophobicContact CE2-CD1 4.18Å; Y391-L395 HydrophobicContact CE2-CD2 4.32Å; Y391-L395 HydrophobicContact CE2-CG 4.28Å; Y391-L395 WeakPolarHBondContact O-CG 3.17Å; Y391-L395 PolarHBondContact O-N 2.93Å; Y391-H439 HydrophobicContact CE1-CB 4.21Å; Y391-H439 AromaticContact CZ-ND1 3.98Å; Y391-H439 PolarHBondContact OH-ND1 2.95Å; Y391-H439 VanDerWaalsContact OH-ND1 3.13Å; Y391-W444 HydrophobicContact CD1-CZ2 4.12Å; Y391-W444 AromaticContact CG-CZ2 3.99Å; Y391-W444 HydrophobicContact CG-CZ2 3.99Å; Y391-W453 AromaticContact CD2-CD2 3.58Å; Y391-W453 HydrophobicContact CD2-CD2 3.58Å; Y391-W453 AromaticContact CD2-CE2 3.69Å; Y391-W453 AromaticContact CD2-CE3 3.96Å; Y391-W453 HydrophobicContact CD2-CE3 3.96Å; Y391-W453 AromaticContact CD2-CG 3.84Å; Y391-W453 HydrophobicContact CD2-CG 3.84Å; Y391-W453 HydrophobicContact CD2-CH2 4.43Å; Y391-W453 HydrophobicContact CD2-CZ2 4.13Å; Y391-W453 HydrophobicContact CD2-CZ3 4.35Å; Y391-W453 AromaticContact CD2-NE1 3.98Å; Y391-W453 AromaticContact CE2-CD1 3.99Å; Y391-W453 HydrophobicContact CE2-CD2 4.27Å; Y391-W453 HydrophobicContact CE2-CG 4.06Å; Y391-W453 HydrophobicContact CG-CD2 4.31Å; Y391-W453 HydrophobicContact CG-CE3 4.26Å |
| 392 | L | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 173.5 | -66.8 | 168.7 | 0 | 0 | 0 | 111.9 | L388 L389 Y390 T394 L395 Y396 M401 W422 L426 | L388-L392 WeakPolarHBondContact O-CG 3.2Å; L388-L392 PolarHBondContact O-N 3.31Å; L389-L392 HydrophobicContact CD2-CD1 4.43Å; L389-L392 PolarHBondContact O-N 2.98Å; Y390-L392 VanDerWaalsContact C-N 3.34Å; Y390-L392 PolarHBondContact O-N 3.32Å; L392-T394 VanDerWaalsContact C-N 3.32Å; L392-T394 PolarHBondContact O-N 3.28Å; L392-L395 PolarHBondContact O-N 2.92Å; L392-L395 VanDerWaalsContact O-N 3.09Å; L392-Y396 HydrophobicContact CB-CD2 4.47Å; L392-Y396 HydrophobicContact CD2-CD2 4.39Å; L392-Y396 HydrophobicContact CD2-CE2 3.97Å; L392-Y396 VanDerWaalsContact O-CD2 3.29Å; L392-Y396 WeakPolarHBondContact O-CD2 3.46Å; L392-Y396 PolarHBondContact O-N 3.22Å; L392-M401 HydrophobicContact CB-CE 3.86Å; L392-M401 HydrophobicContact CB-SD 3.84Å; L392-M401 HydrophobicContact CD1-CE 4.36Å; L392-W422 HydrophobicContact CD1-CH2 4.01Å; L392-W422 HydrophobicContact CD1-CZ2 4.32Å; L392-L426 HydrophobicContact CD1-CD1 4.28Å; L392-L426 HydrophobicContact CD1-CD2 3.69Å; L392-L426 HydrophobicContact CD2-CD2 4.3Å |
| 393 | E | 98.1 | Very high | 98.2 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 9% | 0.089 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 172 | 175.1 | 171.9 | 149.6 | 0 | 0 | 112.7 | Y322 R337 L389 Y390 Y391 L395 G397 K398 M401 | Y322-E393 PolarHBondContact OH-OE2 2.83Å; R337-E393 IonicContact CZ-OE1 3.5Å; R337-E393 IonicContact CZ-OE2 3.07Å; R337-E393 IonicContact NH1-OE1 2.75Å; R337-E393 PolarHBondContact NH1-OE1 3.07Å; R337-E393 IonicContact NH1-OE2 2.73Å; R337-E393 PolarHBondContact NH1-OE2 3.17Å; R337-E393 IonicContact NH2-OE1 2.85Å; R337-E393 PolarHBondContact NH2-OE1 2.9Å; R337-E393 IonicContact NH2-OE2 3.62Å; R337-E393 PolarHBondContact NH2-OE2 2.82Å; L389-E393 PolarHBondContact O-N 3.03Å; Y390-E393 HydrophobicContact CD2-CB 4.46Å; Y390-E393 WeakPolarHBondContact O-CA 3.4Å; Y390-E393 WeakPolarHBondContact O-CB 3.24Å; Y390-E393 PolarHBondContact O-N 3.33Å; Y390-E393 VanDerWaalsContact O-N 3.11Å; Y391-E393 VanDerWaalsContact C-N 3.3Å; Y391-E393 PolarHBondContact O-N 3.29Å; E393-L395 PolarHBondContact O-N 3.05Å; E393-G397 CarbonylContact O-C 3.56Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 3.38Å; E393-K398 HydrophobicContact CG-CB 4.03Å; E393-M401 HydrophobicContact CB-CB 4.42Å; E393-M401 HydrophobicContact CB-CG 3.87Å |
| 394 | T | 97.5 | Very high | 98.2 | Very high | 72 Ų | 72 | 32.1 Ų | 32.1 | 44% | 0.442 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.9 | -22.9 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | Y390 Y391 L392 W453 | Y390-T394 HydrophobicContact CE1-CG2 4.36Å; Y390-T394 WeakPolarHBondContact O-CG2 3.35Å; Y390-T394 PolarHBondContact O-N 3.33Å; Y391-T394 PolarHBondContact O-N 3.18Å; Y391-T394 VanDerWaalsContact O-N 3.07Å; Y391-T394 PolarHBondContact O-OG1 3.28Å; L392-T394 VanDerWaalsContact C-N 3.32Å; L392-T394 PolarHBondContact O-N 3.28Å; T394-W453 HydrophobicContact CG2-CH2 4.09Å; T394-W453 HydrophobicContact CG2-CZ2 4Å |
| 395 | L | 97.2 | Very high | 98.2 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -89 | -44.6 | -179.8 | -64.3 | 173.4 | 0 | 0 | 0 | 112.6 | Y391 L392 E393 H439 | Y391-L395 HydrophobicContact CD1-CD1 4.14Å; Y391-L395 HydrophobicContact CE1-CD1 3.64Å; Y391-L395 HydrophobicContact CE2-CD1 4.18Å; Y391-L395 HydrophobicContact CE2-CD2 4.32Å; Y391-L395 HydrophobicContact CE2-CG 4.28Å; Y391-L395 WeakPolarHBondContact O-CG 3.17Å; Y391-L395 PolarHBondContact O-N 2.93Å; L392-L395 PolarHBondContact O-N 2.92Å; L392-L395 VanDerWaalsContact O-N 3.09Å; E393-L395 PolarHBondContact O-N 3.05Å; L395-H439 WeakPolarHBondContact CD1-CE1 3.33Å; L395-H439 VanDerWaalsContact CD1-ND1 3.32Å; L395-H439 WeakPolarHBondContact CD1-ND1 3.38Å |
| 396 | Y | 97.9 | Very high | 98.1 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -104.9 | -9.9 | -170.5 | -63.1 | -75.1 | 0 | 0 | 0 | 113.5 | L392 S400 L430 V434 | L392-Y396 HydrophobicContact CB-CD2 4.47Å; L392-Y396 HydrophobicContact CD2-CD2 4.39Å; L392-Y396 HydrophobicContact CD2-CE2 3.97Å; L392-Y396 VanDerWaalsContact O-CD2 3.29Å; L392-Y396 WeakPolarHBondContact O-CD2 3.46Å; L392-Y396 PolarHBondContact O-N 3.22Å; Y396-S400 VanDerWaalsContact O-CB 3.23Å; Y396-S400 WeakPolarHBondContact O-CB 3.08Å; Y396-S400 PolarHBondContact O-OG 2.89Å; Y396-L430 HydrophobicContact CD1-CB 4.35Å; Y396-L430 HydrophobicContact CD2-CD1 3.85Å; Y396-L430 HydrophobicContact CE1-CB 4.3Å; Y396-L430 HydrophobicContact CE2-CD1 4.25Å; Y396-L430 HydrophobicContact CG-CD1 4.08Å; Y396-V434 HydrophobicContact CE1-CG2 4.45Å; Y396-V434 HydrophobicContact CE2-CG2 4.05Å; Y396-V434 WeakPolarHBondContact OH-CA 3.47Å; Y396-V434 WeakPolarHBondContact OH-CG2 3.18Å; Y396-V434 PolarHBondContact OH-N 3.28Å |
| 397 | G | 97.9 | Very high | 98.1 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | trans | 83.7 | 150.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E393 E399 S400 M401 | E393-G397 CarbonylContact O-C 3.56Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 3.38Å; G397-E399 VanDerWaalsContact C-N 3.35Å; G397-E399 PolarHBondContact O-N 3.34Å; G397-S400 WeakPolarHBondContact O-CB 3.42Å; G397-S400 PolarHBondContact O-N 2.78Å; G397-M401 PolarHBondContact O-N 3.48Å; G397-M401 VanDerWaalsContact O-N 3.16Å | ||
| 398 | K | 97.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 39 Ų | 39 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.7 | -41.5 | -177.1 | -173.5 | 176.7 | 178.3 | -169.2 | 0 | 113.7 | E329 E393 S400 M401 L402 | E329-K398 IonicContact OE1-NZ 2.71Å; E329-K398 PolarHBondContact OE1-NZ 2.98Å; E329-K398 IonicContact OE2-NZ 3.3Å; E329-K398 PolarHBondContact OE2-NZ 2.92Å; E393-K398 HydrophobicContact CG-CB 4.03Å; K398-S400 PolarHBondContact O-N 3.17Å; K398-M401 PolarHBondContact O-N 3.43Å; K398-L402 HydrophobicContact CG-CD1 4.14Å; K398-L402 HydrophobicContact CG-CG 4.23Å; K398-L402 VanDerWaalsContact O-CG 3.31Å; K398-L402 WeakPolarHBondContact O-CG 2.98Å; K398-L402 PolarHBondContact O-N 3.09Å |
| 399 | E | 98.1 | Very high | 98 | Very high | 149 Ų | 149 | 39.2 Ų | 39.2 | 70% | 0.696 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.1 | -45.4 | 179.8 | -173.4 | 179.1 | 172.2 | 0 | 0 | 111.8 | G397 M401 L402 N403 | G397-E399 VanDerWaalsContact C-N 3.35Å; G397-E399 PolarHBondContact O-N 3.34Å; E399-M401 VanDerWaalsContact C-N 3.32Å; E399-M401 PolarHBondContact O-N 2.77Å; E399-L402 PolarHBondContact O-N 2.87Å; E399-N403 WeakPolarHBondContact O-CB 3.26Å; E399-N403 PolarHBondContact O-N 3.29Å; E399-N403 PolarHBondContact O-ND2 3.17Å |
| 400 | S | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.5 | -45 | 175.6 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | Y396 G397 K398 N403 W404 | Y396-S400 VanDerWaalsContact O-CB 3.23Å; Y396-S400 WeakPolarHBondContact O-CB 3.08Å; Y396-S400 PolarHBondContact O-OG 2.89Å; G397-S400 WeakPolarHBondContact O-CB 3.42Å; G397-S400 PolarHBondContact O-N 2.78Å; K398-S400 PolarHBondContact O-N 3.17Å; S400-N403 PolarHBondContact O-N 3.07Å; S400-W404 WeakPolarHBondContact O-CB 3.28Å; S400-W404 PolarHBondContact O-N 3.19Å |
| 401 | M | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -36 | 179.2 | -71.7 | -54.8 | -63.6 | 0 | 0 | 113.4 | Y322 L389 L392 E393 G397 K398 E399 W404 L405 L430 | Y322-M401 WeakPolarHBondContact OH-CB 3.42Å; L389-M401 HydrophobicContact CD2-CE 4.27Å; L392-M401 HydrophobicContact CB-CE 3.86Å; L392-M401 HydrophobicContact CB-SD 3.84Å; L392-M401 HydrophobicContact CD1-CE 4.36Å; E393-M401 HydrophobicContact CB-CB 4.42Å; E393-M401 HydrophobicContact CB-CG 3.87Å; G397-M401 PolarHBondContact O-N 3.48Å; G397-M401 VanDerWaalsContact O-N 3.16Å; K398-M401 PolarHBondContact O-N 3.43Å; E399-M401 VanDerWaalsContact C-N 3.32Å; E399-M401 PolarHBondContact O-N 2.77Å; M401-W404 HydrophobicContact CE-CE3 4Å; M401-W404 HydrophobicContact CE-CZ3 4.5Å; M401-W404 PolarHBondContact O-N 3.36Å; M401-L405 WeakPolarHBondContact O-CB 3.29Å; M401-L405 PolarHBondContact O-N 3.2Å; M401-L430 HydrophobicContact SD-CD1 3.76Å |
| 402 | L | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 173.8 | -71 | 178.3 | 0 | 0 | 0 | 111.6 | I246 L326 K398 E399 W404 L405 K406 | I246-L402 HydrophobicContact CG2-CD2 4Å; L326-L402 HydrophobicContact CD1-CD2 3.68Å; L326-L402 HydrophobicContact CD2-CD2 4.12Å; K398-L402 HydrophobicContact CG-CD1 4.14Å; K398-L402 HydrophobicContact CG-CG 4.23Å; K398-L402 VanDerWaalsContact O-CG 3.31Å; K398-L402 WeakPolarHBondContact O-CG 2.98Å; K398-L402 PolarHBondContact O-N 3.09Å; E399-L402 PolarHBondContact O-N 2.87Å; L402-W404 VanDerWaalsContact C-N 3.34Å; L402-L405 PolarHBondContact O-N 3Å; L402-K406 PolarHBondContact O-N 2.93Å |
| 403 | N | 97.7 | Very high | 97.9 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.9 | -73.7 | -29 | 0 | 0 | 0 | 111.2 | E399 S400 K406 A407 | E399-N403 WeakPolarHBondContact O-CB 3.26Å; E399-N403 PolarHBondContact O-N 3.29Å; E399-N403 PolarHBondContact O-ND2 3.17Å; S400-N403 PolarHBondContact O-N 3.07Å; N403-K406 PolarHBondContact O-N 3.44Å; N403-A407 WeakPolarHBondContact O-CB 3.42Å; N403-A407 PolarHBondContact O-N 3.2Å |
| 404 | W | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 174.2 | 176.1 | 82.2 | 0 | 0 | 0 | 111.9 | H319 L389 S400 M401 L402 K406 A407 Y408 W422 F425 L426 L430 | H319-W404 AromaticContact NE2-CH2 3.47Å; H319-W404 WeakPolarHBondContact NE2-CH2 3.38Å; H319-W404 AromaticContact NE2-CZ3 3.94Å; L389-W404 HydrophobicContact CD2-CH2 4.48Å; L389-W404 HydrophobicContact CD2-CZ3 4.16Å; S400-W404 WeakPolarHBondContact O-CB 3.28Å; S400-W404 PolarHBondContact O-N 3.19Å; M401-W404 HydrophobicContact CE-CE3 4Å; M401-W404 HydrophobicContact CE-CZ3 4.5Å; M401-W404 PolarHBondContact O-N 3.36Å; L402-W404 VanDerWaalsContact C-N 3.34Å; W404-K406 VanDerWaalsContact C-N 3.32Å; W404-K406 PolarHBondContact O-N 3.22Å; W404-A407 CarbonylContact O-C 3.55Å; W404-A407 WeakPolarHBondContact O-CB 3.39Å; W404-A407 PolarHBondContact O-N 3.12Å; W404-A407 VanDerWaalsContact O-N 3.1Å; W404-Y408 HydrophobicContact CH2-CD1 4.22Å; W404-Y408 HydrophobicContact CH2-CD2 4.03Å; W404-Y408 AromaticContact CH2-CG 3.85Å; W404-Y408 HydrophobicContact CH2-CG 3.85Å; W404-Y408 AromaticContact CZ2-CD2 3.94Å; W404-Y408 HydrophobicContact CZ2-CD2 3.94Å; W404-Y408 HydrophobicContact CZ2-CG 4.04Å; W404-Y408 HydrophobicContact CZ3-CG 4.4Å; W404-Y408 VanDerWaalsContact O-CB 3.31Å; W404-Y408 WeakPolarHBondContact O-CB 3.48Å; W404-Y408 PolarHBondContact O-N 3.03Å; W404-W422 HydrophobicContact CH2-CZ2 4.39Å; W404-W422 AromaticContact CH2-NE1 3.33Å; W404-W422 VanDerWaalsContact CH2-NE1 3.33Å; W404-W422 AromaticContact CZ2-NE1 3.61Å; W404-F425 HydrophobicContact CZ2-CD1 4.32Å; W404-F425 AromaticContact NE1-CD1 3.55Å; W404-F425 AromaticContact NE1-CE1 3.69Å; W404-L426 HydrophobicContact CD2-CD1 3.95Å; W404-L426 HydrophobicContact CG-CD1 4.23Å; W404-L426 HydrophobicContact CZ2-CB 4.48Å; W404-L426 HydrophobicContact CZ2-CD1 3.92Å; W404-L430 HydrophobicContact CB-CD2 4.33Å |
| 405 | L | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 179.9 | 178.5 | 61.4 | 0 | 0 | 0 | 111.4 | I246 Y322 L323 L326 M401 L402 A407 Y408 V409 | I246-L405 HydrophobicContact CG2-CD2 3.93Å; Y322-L405 HydrophobicContact CE1-CD2 4.33Å; L323-L405 HydrophobicContact CD1-CD2 4.27Å; L326-L405 HydrophobicContact CD1-CD2 4.22Å; M401-L405 WeakPolarHBondContact O-CB 3.29Å; M401-L405 PolarHBondContact O-N 3.2Å; L402-L405 PolarHBondContact O-N 3Å; L405-A407 PolarHBondContact O-N 3.12Å; L405-Y408 HydrophobicContact CD1-CD1 4.24Å; L405-Y408 WeakPolarHBondContact O-CB 3.36Å; L405-Y408 PolarHBondContact O-N 3.09Å; L405-V409 HydrophobicContact CD1-CG2 4.4Å; L405-V409 WeakPolarHBondContact O-CG2 3.48Å; L405-V409 PolarHBondContact O-N 3.03Å |
| 406 | K | 97.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 51 Ų | 51 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.6 | -172.3 | 173.7 | -175.4 | 171 | 0 | 112.2 | L402 N403 W404 K410 | L402-K406 PolarHBondContact O-N 2.93Å; N403-K406 PolarHBondContact O-N 3.44Å; W404-K406 VanDerWaalsContact C-N 3.32Å; W404-K406 PolarHBondContact O-N 3.22Å; K406-K410 VanDerWaalsContact O-CB 3.31Å; K406-K410 WeakPolarHBondContact O-CB 3.25Å; K406-K410 PolarHBondContact O-N 3.21Å |
| 407 | A | 97.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N403 W404 L405 K410 Q411 F425 | N403-A407 WeakPolarHBondContact O-CB 3.42Å; N403-A407 PolarHBondContact O-N 3.2Å; W404-A407 CarbonylContact O-C 3.55Å; W404-A407 WeakPolarHBondContact O-CB 3.39Å; W404-A407 PolarHBondContact O-N 3.12Å; W404-A407 VanDerWaalsContact O-N 3.1Å; L405-A407 PolarHBondContact O-N 3.12Å; A407-K410 PolarHBondContact O-N 3.44Å; A407-Q411 WeakPolarHBondContact O-CB 3.46Å; A407-Q411 PolarHBondContact O-N 2.96Å; A407-F425 HydrophobicContact CB-CE1 4.48Å; A407-F425 HydrophobicContact CB-CZ 4.07Å |
| 408 | Y | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -54.1 | 176.5 | 169.8 | -107.9 | 0 | 0 | 0 | 111.4 | V305 H319 W404 L405 K410 Q411 F412 L417 W422 F425 | V305-Y408 HydrophobicContact CB-CE1 4.28Å; V305-Y408 HydrophobicContact CG1-CE1 3.88Å; V305-Y408 HydrophobicContact CG1-CE2 4.06Å; V305-Y408 VanDerWaalsContact CG1-CZ 3.47Å; V305-Y408 VanDerWaalsContact CG1-OH 3.26Å; V305-Y408 WeakPolarHBondContact CG1-OH 3.26Å; V305-Y408 HydrophobicContact CG2-CE1 4.43Å; H319-Y408 AromaticContact CD2-CE1 3.83Å; W404-Y408 HydrophobicContact CH2-CD1 4.22Å; W404-Y408 HydrophobicContact CH2-CD2 4.03Å; W404-Y408 AromaticContact CH2-CG 3.85Å; W404-Y408 HydrophobicContact CH2-CG 3.85Å; W404-Y408 AromaticContact CZ2-CD2 3.94Å; W404-Y408 HydrophobicContact CZ2-CD2 3.94Å; W404-Y408 HydrophobicContact CZ2-CG 4.04Å; W404-Y408 HydrophobicContact CZ3-CG 4.4Å; W404-Y408 VanDerWaalsContact O-CB 3.31Å; W404-Y408 WeakPolarHBondContact O-CB 3.48Å; W404-Y408 PolarHBondContact O-N 3.03Å; L405-Y408 HydrophobicContact CD1-CD1 4.24Å; L405-Y408 WeakPolarHBondContact O-CB 3.36Å; L405-Y408 PolarHBondContact O-N 3.09Å; Y408-K410 VanDerWaalsContact C-N 3.3Å; Y408-K410 PolarHBondContact O-N 3.36Å; Y408-Q411 PolarHBondContact O-N 3.46Å; Y408-F412 AromaticContact CD2-CD2 3.48Å; Y408-F412 HydrophobicContact CD2-CD2 3.48Å; Y408-F412 VanDerWaalsContact CD2-CD2 3.48Å; Y408-F412 AromaticContact CD2-CE2 3.8Å; Y408-F412 HydrophobicContact CD2-CE2 3.8Å; Y408-F412 AromaticContact CE2-CD2 3.66Å; Y408-F412 HydrophobicContact CE2-CD2 3.66Å; Y408-F412 HydrophobicContact CE2-CE2 4.06Å; Y408-F412 HydrophobicContact CG-CD2 4.4Å; Y408-F412 WeakPolarHBondContact O-CD2 3.22Å; Y408-F412 PolarHBondContact O-N 3.16Å; Y408-L417 HydrophobicContact CE2-CD1 3.8Å; Y408-W422 AromaticContact CE2-CD1 3.77Å; Y408-F425 VanDerWaalsContact CA-CE1 3.48Å; Y408-F425 HydrophobicContact CD2-CD1 4.19Å; Y408-F425 HydrophobicContact CD2-CE1 4.44Å |
| 409 | V | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 175.6 | 168 | 0 | 0 | 0 | 0 | 110.3 | C247 W300 L405 Q411 S413 | C247-V409 HydrophobicContact CB-CG2 4.45Å; W300-V409 HydrophobicContact CB-CG1 4.29Å; W300-V409 HydrophobicContact CB-CG2 4.09Å; W300-V409 HydrophobicContact CG-CG1 4.34Å; L405-V409 HydrophobicContact CD1-CG2 4.4Å; L405-V409 WeakPolarHBondContact O-CG2 3.48Å; L405-V409 PolarHBondContact O-N 3.03Å; V409-Q411 PolarHBondContact O-N 3.25Å; V409-S413 VanDerWaalsContact O-CB 3.31Å; V409-S413 WeakPolarHBondContact O-CB 3.26Å; V409-S413 PolarHBondContact O-N 2.95Å; V409-S413 PolarHBondContact O-OG 3.35Å |
| 410 | K | 97.4 | Very high | 97.6 | Very high | 179 Ų | 179 | 41.9 Ų | 41.9 | 78% | 0.778 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.1 | -42.6 | 179 | -177.1 | -178 | 176.2 | -173.9 | 0 | 112.8 | K406 A407 Y408 | K406-K410 VanDerWaalsContact O-CB 3.31Å; K406-K410 WeakPolarHBondContact O-CB 3.25Å; K406-K410 PolarHBondContact O-N 3.21Å; A407-K410 PolarHBondContact O-N 3.44Å; Y408-K410 VanDerWaalsContact C-N 3.3Å; Y408-K410 PolarHBondContact O-N 3.36Å |
| 411 | Q | 98 | Very high | 97.6 | Very high | 94 Ų | 94 | 40.3 Ų | 40.3 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -39.7 | -175.5 | 176.7 | 58.8 | 36.3 | 0 | 0 | 112.3 | A407 Y408 V409 Q415 F425 | A407-Q411 WeakPolarHBondContact O-CB 3.46Å; A407-Q411 PolarHBondContact O-N 2.96Å; Y408-Q411 PolarHBondContact O-N 3.46Å; V409-Q411 PolarHBondContact O-N 3.25Å; Q411-Q415 PolarHBondContact O-NE2 2.7Å; Q411-F425 HydrophobicContact CB-CE2 3.85Å; Q411-F425 HydrophobicContact CB-CZ 3.9Å; Q411-F425 HydrophobicContact CG-CD2 4.06Å; Q411-F425 HydrophobicContact CG-CE2 3.68Å; Q411-F425 HydrophobicContact CG-CZ 4.24Å |
| 412 | F | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -110.5 | 5.5 | -171.4 | -61.3 | -72.8 | 0 | 0 | 0 | 114.1 | M1 V305 Y408 G414 Q415 L417 T421 F425 | M1-F412 HydrophobicContact CE-CE1 4.19Å; V305-F412 HydrophobicContact CB-CB 4.3Å; V305-F412 HydrophobicContact CG1-CB 3.58Å; V305-F412 HydrophobicContact CG1-CG 4.47Å; V305-F412 HydrophobicContact CG2-CB 3.86Å; Y408-F412 AromaticContact CD2-CD2 3.48Å; Y408-F412 HydrophobicContact CD2-CD2 3.48Å; Y408-F412 VanDerWaalsContact CD2-CD2 3.48Å; Y408-F412 AromaticContact CD2-CE2 3.8Å; Y408-F412 HydrophobicContact CD2-CE2 3.8Å; Y408-F412 AromaticContact CE2-CD2 3.66Å; Y408-F412 HydrophobicContact CE2-CD2 3.66Å; Y408-F412 HydrophobicContact CE2-CE2 4.06Å; Y408-F412 HydrophobicContact CG-CD2 4.4Å; Y408-F412 WeakPolarHBondContact O-CD2 3.22Å; Y408-F412 PolarHBondContact O-N 3.16Å; F412-G414 PolarHBondContact O-N 2.92Å; F412-Q415 WeakPolarHBondContact O-CA 3.49Å; F412-Q415 WeakPolarHBondContact O-CB 3.44Å; F412-Q415 PolarHBondContact O-N 3.41Å; F412-L417 HydrophobicContact CD1-CB 4.44Å; F412-L417 HydrophobicContact CD1-CD1 4.11Å; F412-L417 HydrophobicContact CD2-CD1 4.03Å; F412-L417 HydrophobicContact CE1-CD1 4.02Å; F412-L417 HydrophobicContact CE2-CD1 3.93Å; F412-L417 HydrophobicContact CG-CD1 4.11Å; F412-L417 HydrophobicContact CZ-CD1 3.93Å; F412-T421 HydrophobicContact CE1-CG2 3.85Å; F412-T421 HydrophobicContact CZ-CG2 4.03Å; F412-F425 HydrophobicContact CE2-CB 3.83Å; F412-F425 AromaticContact CE2-CD1 3.81Å; F412-F425 HydrophobicContact CE2-CD1 3.81Å; F412-F425 AromaticContact CE2-CD2 3.97Å; F412-F425 HydrophobicContact CE2-CD2 3.97Å; F412-F425 HydrophobicContact CE2-CE1 4.39Å; F412-F425 AromaticContact CE2-CG 3.58Å; F412-F425 HydrophobicContact CE2-CG 3.58Å; F412-F425 HydrophobicContact CZ-CB 3.9Å; F412-F425 HydrophobicContact CZ-CD2 4.2Å; F412-F425 HydrophobicContact CZ-CG 4.01Å |
| 413 | S | 97.6 | Very high | 97.6 | Very high | 45 Ų | 45 | 40 Ų | 40 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.8 | 172.5 | -77.9 | 0 | 0 | 0 | 0 | 111 | V409 Q415 | V409-S413 VanDerWaalsContact O-CB 3.31Å; V409-S413 WeakPolarHBondContact O-CB 3.26Å; V409-S413 PolarHBondContact O-N 2.95Å; V409-S413 PolarHBondContact O-OG 3.35Å; S413-Q415 VanDerWaalsContact C-N 3.26Å; S413-Q415 PolarHBondContact O-N 3.42Å |
| 414 | G | 96.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 7.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L304 F412 | L304-G414 PolarHBondContact O-N 2.85Å; F412-G414 PolarHBondContact O-N 2.92Å |
| 415 | Q | 96.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 167.5 | -179.5 | -66.6 | 165.8 | 73.1 | 0 | 0 | 111.2 | K153 T306 Q411 F412 S413 | K153-Q415 WeakPolarHBondContact CE-O 3.31Å; K153-Q415 PolarHBondContact NZ-O 3.42Å; T306-Q415 PolarHBondContact N-O 2.92Å; Q411-Q415 PolarHBondContact O-NE2 2.7Å; F412-Q415 WeakPolarHBondContact O-CA 3.49Å; F412-Q415 WeakPolarHBondContact O-CB 3.44Å; F412-Q415 PolarHBondContact O-N 3.41Å; S413-Q415 VanDerWaalsContact C-N 3.26Å; S413-Q415 PolarHBondContact O-N 3.42Å |
| 416 | S | 97.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.7 | 170.4 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | P150 K153 T306 | P150-S416 PolarHBondContact O-OG 2.93Å; K153-S416 VanDerWaalsContact CE-OG 3.25Å; K153-S416 WeakPolarHBondContact CE-OG 3.43Å; T306-S416 CarbonylContact O-C 3.58Å; T306-S416 WeakPolarHBondContact O-CA 3.5Å |
| 417 | L | 97.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.5 | -177 | 83.2 | 172 | 0 | 0 | 0 | 113.2 | V305 T306 N307 S308 L315 Y408 F412 T421 W422 | V305-L417 HydrophobicContact CG1-CD2 3.65Å; T306-L417 WeakPolarHBondContact O-CD2 3.39Å; T306-L417 PolarHBondContact O-N 3.25Å; N307-L417 CarbonylContact C-O 3.3Å; N307-L417 WeakPolarHBondContact CA-O 3.44Å; S308-L417 PolarHBondContact N-O 3.43Å; S308-L417 VanDerWaalsContact OG-C 3.3Å; S308-L417 PolarHBondContact OG-O 2.89Å; L315-L417 HydrophobicContact CD1-CD2 4.1Å; L315-L417 HydrophobicContact CD1-CG 4.07Å; L315-L417 WeakPolarHBondContact CD1-O 3.46Å; Y408-L417 HydrophobicContact CE2-CD1 3.8Å; F412-L417 HydrophobicContact CD1-CB 4.44Å; F412-L417 HydrophobicContact CD1-CD1 4.11Å; F412-L417 HydrophobicContact CD2-CD1 4.03Å; F412-L417 HydrophobicContact CE1-CD1 4.02Å; F412-L417 HydrophobicContact CE2-CD1 3.93Å; F412-L417 HydrophobicContact CG-CD1 4.11Å; F412-L417 HydrophobicContact CZ-CD1 3.93Å; L417-T421 HydrophobicContact CB-CG2 4.19Å; L417-T421 HydrophobicContact CD1-CG2 4.45Å; L417-W422 HydrophobicContact CD1-CB 3.99Å |
| 418 | N | 96.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | trans | -99.2 | 170.1 | 171.3 | 61.6 | 25.1 | 0 | 0 | 0 | 111.8 | T4 S308 D312 N420 T421 W422 | T4-N418 PolarHBondContact OG1-ND2 3.47Å; S308-N418 WeakPolarHBondContact OG-CB 3.44Å; S308-N418 PolarHBondContact OG-N 3.44Å; D312-N418 WeakPolarHBondContact OD2-CB 3.43Å; N418-N420 PolarHBondContact O-N 3.02Å; N418-N420 PolarHBondContact OD1-N 2.87Å; N418-T421 PolarHBondContact O-N 3.36Å; N418-T421 WeakPolarHBondContact OD1-CB 3.24Å; N418-T421 PolarHBondContact OD1-N 3.43Å; N418-T421 PolarHBondContact OD1-OG1 2.66Å; N418-W422 PolarHBondContact O-N 2.6Å | ||
| 419 | S | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -28.4 | -178.6 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | D312 W314 I365 L423 | D312-S419 WeakPolarHBondContact OD1-CB 3.33Å; D312-S419 PolarHBondContact OD1-N 3.29Å; D312-S419 PolarHBondContact OD1-OG 3.31Å; W314-S419 PolarHBondContact NE1-OG 2.95Å; I365-S419 VanDerWaalsContact CD1-CB 3.43Å; I365-S419 WeakPolarHBondContact CD1-OG 3.19Å; S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 PolarHBondContact O-N 3Å |
| 420 | N | 96.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 47 Ų | 47 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.5 | -46.8 | 176.6 | -69.7 | -21.3 | 0 | 0 | 0 | 111.3 | N418 W422 L423 E424 R446 | N418-N420 PolarHBondContact O-N 3.02Å; N418-N420 PolarHBondContact OD1-N 2.87Å; N420-W422 VanDerWaalsContact C-N 3.27Å; N420-W422 PolarHBondContact O-N 3.26Å; N420-L423 PolarHBondContact O-N 2.85Å; N420-L423 VanDerWaalsContact O-N 3.17Å; N420-E424 WeakPolarHBondContact O-CG 3.48Å; N420-E424 PolarHBondContact O-N 2.88Å; N420-R446 PolarHBondContact OD1-NH2 2.75Å |
| 421 | T | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 40 Ų | 40 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | M1 F412 L417 N418 E424 F425 | M1-T421 HydrophobicContact CG-CG2 4.49Å; M1-T421 HydrophobicContact SD-CG2 3.96Å; F412-T421 HydrophobicContact CE1-CG2 3.85Å; F412-T421 HydrophobicContact CZ-CG2 4.03Å; L417-T421 HydrophobicContact CB-CG2 4.19Å; L417-T421 HydrophobicContact CD1-CG2 4.45Å; N418-T421 PolarHBondContact O-N 3.36Å; N418-T421 WeakPolarHBondContact OD1-CB 3.24Å; N418-T421 PolarHBondContact OD1-N 3.43Å; N418-T421 PolarHBondContact OD1-OG1 2.66Å; T421-E424 PolarHBondContact O-N 3.19Å; T421-F425 PolarHBondContact O-N 2.86Å |
| 422 | W | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 172.6 | 175.9 | 91.8 | 0 | 0 | 0 | 112 | W314 L315 H319 L388 L389 L392 W404 Y408 L417 N418 N420 F425 L426 | W314-W422 AromaticContact CH2-CD2 3.83Å; W314-W422 HydrophobicContact CH2-CD2 3.83Å; W314-W422 AromaticContact CH2-CE2 3.8Å; W314-W422 AromaticContact CH2-CE3 3.85Å; W314-W422 HydrophobicContact CH2-CE3 3.85Å; W314-W422 AromaticContact CH2-CH2 3.84Å; W314-W422 HydrophobicContact CH2-CH2 3.84Å; W314-W422 AromaticContact CH2-CZ2 3.83Å; W314-W422 HydrophobicContact CH2-CZ2 3.83Å; W314-W422 AromaticContact CH2-CZ3 3.87Å; W314-W422 HydrophobicContact CH2-CZ3 3.87Å; W314-W422 HydrophobicContact CZ2-CD2 4.34Å; W314-W422 HydrophobicContact CZ2-CE3 4.19Å; W314-W422 HydrophobicContact CZ2-CZ3 4.44Å; W314-W422 HydrophobicContact CZ3-CZ2 4.35Å; L315-W422 HydrophobicContact CD2-CB 3.87Å; L315-W422 HydrophobicContact CD2-CD2 4.2Å; L315-W422 HydrophobicContact CD2-CG 3.62Å; H319-W422 AromaticContact CE1-CD1 3.76Å; H319-W422 AromaticContact CE1-CE2 3.91Å; H319-W422 AromaticContact CE1-NE1 3.14Å; H319-W422 PolarHBondContact CE1-NE1 2.9Å; H319-W422 AromaticContact NE2-CD1 3.73Å; H319-W422 AromaticContact NE2-CE2 3.86Å; H319-W422 AromaticContact NE2-NE1 2.92Å; H319-W422 PolarHBondContact NE2-NE1 3Å; L388-W422 HydrophobicContact CD2-CH2 4.23Å; L389-W422 HydrophobicContact CD2-CZ2 3.96Å; L392-W422 HydrophobicContact CD1-CH2 4.01Å; L392-W422 HydrophobicContact CD1-CZ2 4.32Å; W404-W422 HydrophobicContact CH2-CZ2 4.39Å; W404-W422 AromaticContact CH2-NE1 3.33Å; W404-W422 VanDerWaalsContact CH2-NE1 3.33Å; W404-W422 AromaticContact CZ2-NE1 3.61Å; Y408-W422 AromaticContact CE2-CD1 3.77Å; L417-W422 HydrophobicContact CD1-CB 3.99Å; N418-W422 PolarHBondContact O-N 2.6Å; N420-W422 VanDerWaalsContact C-N 3.27Å; N420-W422 PolarHBondContact O-N 3.26Å; W422-F425 PolarHBondContact O-N 3.43Å; W422-L426 HydrophobicContact CH2-CD2 3.53Å; W422-L426 HydrophobicContact CZ2-CD2 4.02Å; W422-L426 HydrophobicContact CZ3-CD2 3.86Å; W422-L426 WeakPolarHBondContact O-CB 3.37Å; W422-L426 PolarHBondContact O-N 3.25Å |
| 423 | L | 97.5 | Very high | 97.2 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | -179.3 | -176.5 | 64.1 | 0 | 0 | 0 | 112.3 | S419 N420 L426 T427 V434 L435 L441 M445 | S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 PolarHBondContact O-N 3Å; N420-L423 PolarHBondContact O-N 2.85Å; N420-L423 VanDerWaalsContact O-N 3.17Å; L423-L426 HydrophobicContact CD1-CD2 4.45Å; L423-L426 PolarHBondContact O-N 2.8Å; L423-T427 WeakPolarHBondContact O-CB 3.49Å; L423-T427 PolarHBondContact O-N 3.3Å; L423-T427 PolarHBondContact O-OG1 2.82Å; L423-V434 HydrophobicContact CD1-CG1 4.16Å; L423-L435 HydrophobicContact CD1-CD2 3.83Å; L423-L435 HydrophobicContact CD2-CD2 3.83Å; L423-L435 HydrophobicContact CG-CD2 3.89Å; L423-L441 HydrophobicContact CD1-CD1 3.76Å; L423-M445 HydrophobicContact CD2-CE 4.24Å |
| 424 | E | 97.8 | Very high | 97.1 | Very high | 135 Ų | 135 | 41.3 Ų | 41.3 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.1 | -47.1 | 173 | -74.5 | 172 | -171.1 | 0 | 0 | 110.9 | N420 T421 T427 S428 | N420-E424 WeakPolarHBondContact O-CG 3.48Å; N420-E424 PolarHBondContact O-N 2.88Å; T421-E424 PolarHBondContact O-N 3.19Å; E424-T427 PolarHBondContact O-N 3.31Å; E424-S428 WeakPolarHBondContact O-CB 3.45Å; E424-S428 PolarHBondContact O-N 2.9Å |
| 425 | F | 98.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 44 Ų | 44 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 178.2 | -175 | -103.3 | 0 | 0 | 0 | 112.2 | W404 A407 Y408 Q411 F412 T421 W422 T427 S428 Q429 | W404-F425 HydrophobicContact CZ2-CD1 4.32Å; W404-F425 AromaticContact NE1-CD1 3.55Å; W404-F425 AromaticContact NE1-CE1 3.69Å; A407-F425 HydrophobicContact CB-CE1 4.48Å; A407-F425 HydrophobicContact CB-CZ 4.07Å; Y408-F425 VanDerWaalsContact CA-CE1 3.48Å; Y408-F425 HydrophobicContact CD2-CD1 4.19Å; Y408-F425 HydrophobicContact CD2-CE1 4.44Å; Q411-F425 HydrophobicContact CB-CE2 3.85Å; Q411-F425 HydrophobicContact CB-CZ 3.9Å; Q411-F425 HydrophobicContact CG-CD2 4.06Å; Q411-F425 HydrophobicContact CG-CE2 3.68Å; Q411-F425 HydrophobicContact CG-CZ 4.24Å; F412-F425 HydrophobicContact CE2-CB 3.83Å; F412-F425 AromaticContact CE2-CD1 3.81Å; F412-F425 HydrophobicContact CE2-CD1 3.81Å; F412-F425 AromaticContact CE2-CD2 3.97Å; F412-F425 HydrophobicContact CE2-CD2 3.97Å; F412-F425 HydrophobicContact CE2-CE1 4.39Å; F412-F425 AromaticContact CE2-CG 3.58Å; F412-F425 HydrophobicContact CE2-CG 3.58Å; F412-F425 HydrophobicContact CZ-CB 3.9Å; F412-F425 HydrophobicContact CZ-CD2 4.2Å; F412-F425 HydrophobicContact CZ-CG 4.01Å; T421-F425 PolarHBondContact O-N 2.86Å; W422-F425 PolarHBondContact O-N 3.43Å; F425-T427 VanDerWaalsContact C-N 3.33Å; F425-T427 PolarHBondContact O-N 3.4Å; F425-S428 PolarHBondContact O-N 2.88Å; F425-S428 VanDerWaalsContact O-N 3.16Å; F425-S428 PolarHBondContact O-OG 2.87Å; F425-Q429 HydrophobicContact CD1-CG 4.47Å; F425-Q429 HydrophobicContact CE1-CG 3.99Å; F425-Q429 HydrophobicContact CE2-CG 4.14Å; F425-Q429 HydrophobicContact CZ-CG 3.83Å; F425-Q429 PolarHBondContact O-N 2.86Å |
| 426 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.5 | -49.7 | 174.5 | -175.1 | 71.5 | 0 | 0 | 0 | 111.5 | L392 W404 W422 L423 S428 Q429 L430 V434 | L392-L426 HydrophobicContact CD1-CD1 4.28Å; L392-L426 HydrophobicContact CD1-CD2 3.69Å; L392-L426 HydrophobicContact CD2-CD2 4.3Å; W404-L426 HydrophobicContact CD2-CD1 3.95Å; W404-L426 HydrophobicContact CG-CD1 4.23Å; W404-L426 HydrophobicContact CZ2-CB 4.48Å; W404-L426 HydrophobicContact CZ2-CD1 3.92Å; W422-L426 HydrophobicContact CH2-CD2 3.53Å; W422-L426 HydrophobicContact CZ2-CD2 4.02Å; W422-L426 HydrophobicContact CZ3-CD2 3.86Å; W422-L426 WeakPolarHBondContact O-CB 3.37Å; W422-L426 PolarHBondContact O-N 3.25Å; L423-L426 HydrophobicContact CD1-CD2 4.45Å; L423-L426 PolarHBondContact O-N 2.8Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.22Å; L426-Q429 PolarHBondContact O-N 2.86Å; L426-L430 HydrophobicContact CD1-CD1 3.45Å; L426-L430 VanDerWaalsContact CD1-CD1 3.45Å; L426-L430 HydrophobicContact CD1-CG 4.16Å; L426-L430 HydrophobicContact CG-CD1 4.17Å; L426-L430 PolarHBondContact O-N 3.45Å; L426-V434 HydrophobicContact CD2-CG1 3.62Å; L426-V434 HydrophobicContact CG-CG1 4.04Å; L426-V434 HydrophobicContact CG-CG2 4.36Å |
| 427 | T | 97.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.7 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | L423 E424 F425 Q429 G431 L435 | L423-T427 WeakPolarHBondContact O-CB 3.49Å; L423-T427 PolarHBondContact O-N 3.3Å; L423-T427 PolarHBondContact O-OG1 2.82Å; E424-T427 PolarHBondContact O-N 3.31Å; F425-T427 VanDerWaalsContact C-N 3.33Å; F425-T427 PolarHBondContact O-N 3.4Å; T427-Q429 VanDerWaalsContact C-N 3.27Å; T427-Q429 PolarHBondContact O-N 3.3Å; T427-G431 CarbonylContact O-C 3.58Å; T427-G431 VanDerWaalsContact O-CA 3.24Å; T427-G431 WeakPolarHBondContact O-CA 3.3Å; T427-G431 PolarHBondContact O-N 2.86Å; T427-L435 HydrophobicContact CG2-CD1 3.95Å; T427-L435 HydrophobicContact CG2-CG 4.09Å |
| 428 | S | 98 | Very high | 96.8 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -28.8 | 179 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | E424 F425 L426 | E424-S428 WeakPolarHBondContact O-CB 3.45Å; E424-S428 PolarHBondContact O-N 2.9Å; F425-S428 PolarHBondContact O-N 2.88Å; F425-S428 VanDerWaalsContact O-N 3.16Å; F425-S428 PolarHBondContact O-OG 2.87Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.22Å |
| 429 | Q | 97.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 53 Ų | 53 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -98.8 | -39.1 | -175.5 | -66.4 | -58.7 | -69 | 0 | 0 | 112.9 | F425 L426 T427 | F425-Q429 HydrophobicContact CD1-CG 4.47Å; F425-Q429 HydrophobicContact CE1-CG 3.99Å; F425-Q429 HydrophobicContact CE2-CG 4.14Å; F425-Q429 HydrophobicContact CZ-CG 3.83Å; F425-Q429 PolarHBondContact O-N 2.86Å; L426-Q429 PolarHBondContact O-N 2.86Å; T427-Q429 VanDerWaalsContact C-N 3.27Å; T427-Q429 PolarHBondContact O-N 3.3Å |
| 430 | L | 97.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -97.4 | -9.5 | -177.9 | -59.2 | -175.6 | 0 | 0 | 0 | 113.4 | Y396 M401 W404 L426 V434 | Y396-L430 HydrophobicContact CD1-CB 4.35Å; Y396-L430 HydrophobicContact CD2-CD1 3.85Å; Y396-L430 HydrophobicContact CE1-CB 4.3Å; Y396-L430 HydrophobicContact CE2-CD1 4.25Å; Y396-L430 HydrophobicContact CG-CD1 4.08Å; M401-L430 HydrophobicContact SD-CD1 3.76Å; W404-L430 HydrophobicContact CB-CD2 4.33Å; L426-L430 HydrophobicContact CD1-CD1 3.45Å; L426-L430 VanDerWaalsContact CD1-CD1 3.45Å; L426-L430 HydrophobicContact CD1-CG 4.16Å; L426-L430 HydrophobicContact CG-CD1 4.17Å; L426-L430 PolarHBondContact O-N 3.45Å; L430-V434 HydrophobicContact CB-CG2 3.68Å; L430-V434 HydrophobicContact CD1-CG2 4.42Å |
| 431 | G | 96.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | trans | 94.6 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | T427 D433 V434 | T427-G431 CarbonylContact O-C 3.58Å; T427-G431 VanDerWaalsContact O-CA 3.24Å; T427-G431 WeakPolarHBondContact O-CA 3.3Å; T427-G431 PolarHBondContact O-N 2.86Å; G431-D433 PolarHBondContact O-N 3.01Å; G431-V434 WeakPolarHBondContact O-CB 3.42Å; G431-V434 VanDerWaalsContact O-CG2 3.32Å; G431-V434 WeakPolarHBondContact O-CG2 3.46Å; G431-V434 PolarHBondContact O-N 3.42Å | ||
| 432 | S | 94.6 | Very high | 96.5 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -68.8 | -15.1 | -174.2 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | V434 L435 | S432-V434 PolarHBondContact O-N 3.08Å; S432-L435 PolarHBondContact O-N 2.97Å |
| 433 | D | 95.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -63.5 | -19.3 | 174.3 | -163.9 | 56.7 | 0 | 0 | 0 | 111.8 | G431 L435 N436 K438 H439 | G431-D433 PolarHBondContact O-N 3.01Å; D433-L435 PolarHBondContact O-N 3.1Å; D433-N436 WeakPolarHBondContact O-CB 3.3Å; D433-N436 PolarHBondContact O-N 3.44Å; D433-N436 WeakPolarHBondContact OD1-CB 3.25Å; D433-N436 PolarHBondContact OD1-ND2 2.84Å; D433-K438 IonicContact OD1-NZ 3.66Å; D433-K438 PolarHBondContact OD1-NZ 2.88Å; D433-K438 VanDerWaalsContact OD1-NZ 3.12Å; D433-K438 IonicContact OD2-NZ 3.31Å; D433-K438 PolarHBondContact OD2-NZ 3.48Å; D433-H439 PolarHBondContact O-CD2 2.8Å; D433-H439 PolarHBondContact O-NE2 3.17Å; D433-H439 IonicContact OD2-NE2 2.66Å |
| 434 | V | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -52.5 | -39.2 | 170.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | Y396 L423 L426 L430 G431 S432 N436 L441 | Y396-V434 HydrophobicContact CE1-CG2 4.45Å; Y396-V434 HydrophobicContact CE2-CG2 4.05Å; Y396-V434 WeakPolarHBondContact OH-CA 3.47Å; Y396-V434 WeakPolarHBondContact OH-CG2 3.18Å; Y396-V434 PolarHBondContact OH-N 3.28Å; L423-V434 HydrophobicContact CD1-CG1 4.16Å; L426-V434 HydrophobicContact CD2-CG1 3.62Å; L426-V434 HydrophobicContact CG-CG1 4.04Å; L426-V434 HydrophobicContact CG-CG2 4.36Å; L430-V434 HydrophobicContact CB-CG2 3.68Å; L430-V434 HydrophobicContact CD1-CG2 4.42Å; G431-V434 WeakPolarHBondContact O-CB 3.42Å; G431-V434 VanDerWaalsContact O-CG2 3.32Å; G431-V434 WeakPolarHBondContact O-CG2 3.46Å; G431-V434 PolarHBondContact O-N 3.42Å; S432-V434 PolarHBondContact O-N 3.08Å; V434-N436 VanDerWaalsContact C-N 3.27Å; V434-N436 PolarHBondContact O-N 2.83Å; V434-L441 HydrophobicContact CG1-CD1 3.7Å; V434-L441 WeakPolarHBondContact O-CD1 3.43Å |
| 435 | L | 95 | Very high | 96.5 | Very high | 96 Ų | 96 | 52.2 Ų | 52.2 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -87.2 | 8.6 | -179.1 | -57 | -179 | 0 | 0 | 0 | 113.2 | L423 T427 S432 D433 P437 | L423-L435 HydrophobicContact CD1-CD2 3.83Å; L423-L435 HydrophobicContact CD2-CD2 3.83Å; L423-L435 HydrophobicContact CG-CD2 3.89Å; T427-L435 HydrophobicContact CG2-CD1 3.95Å; T427-L435 HydrophobicContact CG2-CG 4.09Å; S432-L435 PolarHBondContact O-N 2.97Å; D433-L435 PolarHBondContact O-N 3.1Å; L435-P437 WeakPolarHBondContact O-CD 3.19Å |
| 436 | N | 95.5 | Very high | 96.4 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | trans | -60.2 | 125.8 | 176.9 | -169.8 | -40.8 | 0 | 0 | 0 | 109.8 | D433 V434 K438 H439 | D433-N436 WeakPolarHBondContact O-CB 3.3Å; D433-N436 PolarHBondContact O-N 3.44Å; D433-N436 WeakPolarHBondContact OD1-CB 3.25Å; D433-N436 PolarHBondContact OD1-ND2 2.84Å; V434-N436 VanDerWaalsContact C-N 3.27Å; V434-N436 PolarHBondContact O-N 2.83Å; N436-K438 HydrophobicContact CB-CD 4.3Å; N436-K438 HydrophobicContact CB-CG 4.11Å; N436-K438 PolarHBondContact ND2-NZ 3.21Å; N436-K438 PolarHBondContact O-N 3.43Å; N436-K438 WeakPolarHBondContact OD1-CB 3.15Å; N436-K438 VanDerWaalsContact OD1-CG 3.29Å; N436-K438 WeakPolarHBondContact OD1-CG 3.37Å; N436-K438 PolarHBondContact OD1-N 2.88Å; N436-K438 VanDerWaalsContact OD1-N 3.13Å; N436-H439 PolarHBondContact O-N 3.06Å | ||
| 437 | P | 95.6 | Very high | 96.4 | Very high | 115 Ų | 115 | 57.1 Ų | 57.1 | 75% | 0.747 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -53.1 | -25.6 | -178.6 | -29.5 | 35.8 | 0 | 0 | 0 | 114.4 | L435 H439 Q440 | L435-P437 WeakPolarHBondContact O-CD 3.19Å; P437-H439 PolarHBondContact O-N 2.77Å; P437-Q440 WeakPolarHBondContact O-CG 3.07Å; P437-Q440 PolarHBondContact O-N 3.2Å; P437-Q440 VanDerWaalsContact O-N 3.14Å |
| 438 | K | 95.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -57.4 | -28.7 | 175.1 | 79.7 | -166.9 | 179.3 | -153.9 | 0 | 113.2 | D433 N436 | D433-K438 IonicContact OD1-NZ 3.66Å; D433-K438 PolarHBondContact OD1-NZ 2.88Å; D433-K438 VanDerWaalsContact OD1-NZ 3.12Å; D433-K438 IonicContact OD2-NZ 3.31Å; D433-K438 PolarHBondContact OD2-NZ 3.48Å; N436-K438 HydrophobicContact CB-CD 4.3Å; N436-K438 HydrophobicContact CB-CG 4.11Å; N436-K438 PolarHBondContact ND2-NZ 3.21Å; N436-K438 PolarHBondContact O-N 3.43Å; N436-K438 WeakPolarHBondContact OD1-CB 3.15Å; N436-K438 VanDerWaalsContact OD1-CG 3.29Å; N436-K438 WeakPolarHBondContact OD1-CG 3.37Å; N436-K438 PolarHBondContact OD1-N 2.88Å; N436-K438 VanDerWaalsContact OD1-N 3.13Å |
| 439 | H | 95.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -81.7 | -16.3 | -178.5 | -60.9 | -47.8 | 0 | 0 | 0 | 113.9 | Y391 L395 D433 N436 P437 L441 | Y391-H439 HydrophobicContact CE1-CB 4.21Å; Y391-H439 AromaticContact CZ-ND1 3.98Å; Y391-H439 PolarHBondContact OH-ND1 2.95Å; Y391-H439 VanDerWaalsContact OH-ND1 3.13Å; L395-H439 WeakPolarHBondContact CD1-CE1 3.33Å; L395-H439 VanDerWaalsContact CD1-ND1 3.32Å; L395-H439 WeakPolarHBondContact CD1-ND1 3.38Å; D433-H439 PolarHBondContact O-CD2 2.8Å; D433-H439 PolarHBondContact O-NE2 3.17Å; D433-H439 IonicContact OD2-NE2 2.66Å; N436-H439 PolarHBondContact O-N 3.06Å; P437-H439 PolarHBondContact O-N 2.77Å; H439-L441 HydrophobicContact CB-CD2 4.48Å; H439-L441 HydrophobicContact CB-CG 4.29Å; H439-L441 PolarHBondContact O-N 3.35Å |
| 440 | Q | 96.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | trans | 52.5 | 38.2 | 174.9 | -60.5 | 177 | 83.7 | 0 | 0 | 113.6 | P437 D442 T443 W444 P452 | P437-Q440 WeakPolarHBondContact O-CG 3.07Å; P437-Q440 PolarHBondContact O-N 3.2Å; P437-Q440 VanDerWaalsContact O-N 3.14Å; Q440-D442 PolarHBondContact O-N 3.48Å; Q440-T443 WeakPolarHBondContact O-CA 3.37Å; Q440-T443 VanDerWaalsContact O-CB 3.28Å; Q440-T443 WeakPolarHBondContact O-CB 3.44Å; Q440-T443 PolarHBondContact O-N 3.05Å; Q440-W444 PolarHBondContact O-N 3.36Å; Q440-W444 VanDerWaalsContact O-N 3.1Å; Q440-P452 HydrophobicContact CB-CG 3.96Å | ||
| 441 | L | 96.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -32.9 | -177.4 | -66.9 | -174.6 | 0 | 0 | 0 | 113.1 | L388 L423 V434 H439 T443 W444 M445 | L388-L441 HydrophobicContact CD1-CD2 3.77Å; L423-L441 HydrophobicContact CD1-CD1 3.76Å; V434-L441 HydrophobicContact CG1-CD1 3.7Å; V434-L441 WeakPolarHBondContact O-CD1 3.43Å; H439-L441 HydrophobicContact CB-CD2 4.48Å; H439-L441 HydrophobicContact CB-CG 4.29Å; H439-L441 PolarHBondContact O-N 3.35Å; L441-T443 VanDerWaalsContact C-N 3.33Å; L441-T443 PolarHBondContact O-N 3.49Å; L441-W444 WeakPolarHBondContact O-CB 3.35Å; L441-W444 PolarHBondContact O-N 3.1Å; L441-M445 HydrophobicContact CB-CE 4.14Å; L441-M445 WeakPolarHBondContact O-CE 3.48Å; L441-M445 WeakPolarHBondContact O-CG 3.36Å; L441-M445 PolarHBondContact O-N 2.91Å |
| 442 | D | 94.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 174.5 | -166.4 | 66.4 | 0 | 0 | 0 | 112.1 | Q440 M445 R446 | Q440-D442 PolarHBondContact O-N 3.48Å; D442-M445 PolarHBondContact O-N 3.09Å; D442-R446 WeakPolarHBondContact O-CB 3.34Å; D442-R446 PolarHBondContact O-N 2.58Å; D442-R446 VanDerWaalsContact OD1-CD 3.3Å; D442-R446 WeakPolarHBondContact OD1-CD 3.35Å; D442-R446 IonicContact OD1-CZ 2.66Å; D442-R446 IonicContact OD1-NE 2.6Å; D442-R446 IonicContact OD1-NH1 3.86Å; D442-R446 PolarHBondContact OD1-NH1 3.16Å |
| 443 | T | 96.9 | Very high | 96.5 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.2 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | Q440 L441 M445 S447 P452 | Q440-T443 WeakPolarHBondContact O-CA 3.37Å; Q440-T443 VanDerWaalsContact O-CB 3.28Å; Q440-T443 WeakPolarHBondContact O-CB 3.44Å; Q440-T443 PolarHBondContact O-N 3.05Å; L441-T443 VanDerWaalsContact C-N 3.33Å; L441-T443 PolarHBondContact O-N 3.49Å; T443-M445 PolarHBondContact O-N 2.73Å; T443-S447 VanDerWaalsContact O-CB 3.28Å; T443-S447 WeakPolarHBondContact O-CB 3.44Å; T443-S447 PolarHBondContact O-N 3.47Å; T443-P452 HydrophobicContact CG2-CB 4.39Å; T443-P452 HydrophobicContact CG2-CG 4.14Å |
| 444 | W | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 173.9 | -80.4 | 94 | 0 | 0 | 0 | 112.3 | K384 L387 L388 Y391 Q440 L441 P451 W453 | K384-W444 WeakPolarHBondContact CE-O 3.46Å; K384-W444 HydrophobicContact CG-CE3 4.38Å; L387-W444 HydrophobicContact CB-CH2 4.42Å; L387-W444 HydrophobicContact CB-CZ3 4.24Å; L387-W444 HydrophobicContact CD2-CH2 4.28Å; L387-W444 HydrophobicContact CD2-CZ3 4.49Å; L387-W444 HydrophobicContact CG-CH2 3.99Å; L387-W444 HydrophobicContact CG-CZ3 4.27Å; L388-W444 HydrophobicContact CB-CD2 4.4Å; L388-W444 HydrophobicContact CB-CE3 3.78Å; L388-W444 HydrophobicContact CB-CZ3 3.96Å; L388-W444 HydrophobicContact CD1-CB 4.19Å; L388-W444 HydrophobicContact CD1-CD2 3.88Å; L388-W444 HydrophobicContact CD1-CE3 4.14Å; L388-W444 HydrophobicContact CD1-CG 3.91Å; L388-W444 HydrophobicContact CG-CE3 4.47Å; Y391-W444 HydrophobicContact CD1-CZ2 4.12Å; Y391-W444 AromaticContact CG-CZ2 3.99Å; Y391-W444 HydrophobicContact CG-CZ2 3.99Å; Q440-W444 PolarHBondContact O-N 3.36Å; Q440-W444 VanDerWaalsContact O-N 3.1Å; L441-W444 WeakPolarHBondContact O-CB 3.35Å; L441-W444 PolarHBondContact O-N 3.1Å; W444-P451 HydrophobicContact CD2-CB 3.8Å; W444-P451 HydrophobicContact CE3-CB 3.52Å; W444-P451 HydrophobicContact CH2-CB 3.24Å; W444-P451 HydrophobicContact CH2-CG 3.81Å; W444-P451 HydrophobicContact CZ2-CB 3.53Å; W444-P451 HydrophobicContact CZ2-CG 4.45Å; W444-P451 HydrophobicContact CZ3-CB 3.24Å; W444-P451 HydrophobicContact CZ3-CG 3.85Å; W444-W453 AromaticContact CH2-CE3 3.95Å; W444-W453 HydrophobicContact CH2-CE3 3.95Å; W444-W453 HydrophobicContact CZ2-CB 3.87Å; W444-W453 AromaticContact CZ2-CE3 3.99Å; W444-W453 HydrophobicContact CZ2-CE3 3.99Å |
| 445 | M | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.9 | -42.1 | -169.6 | -67.5 | -177.5 | -65 | 0 | 0 | 113.5 | L364 I365 L388 L423 L441 D442 T443 | L364-M445 PolarHBondContact N-O 2.99Å; L364-M445 VanDerWaalsContact N-O 3.17Å; I365-M445 HydrophobicContact CD1-CB 3.88Å; I365-M445 HydrophobicContact CD1-SD 4.42Å; I365-M445 HydrophobicContact CG1-CB 4.23Å; I365-M445 PolarHBondContact N-O 2.94Å; L388-M445 HydrophobicContact CD2-CG 4.43Å; L423-M445 HydrophobicContact CD2-CE 4.24Å; L441-M445 HydrophobicContact CB-CE 4.14Å; L441-M445 WeakPolarHBondContact O-CE 3.48Å; L441-M445 WeakPolarHBondContact O-CG 3.36Å; L441-M445 PolarHBondContact O-N 2.91Å; D442-M445 PolarHBondContact O-N 3.09Å; T443-M445 PolarHBondContact O-N 2.73Å |
| 446 | R | 97.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -115.4 | -11.1 | -165.2 | -58.6 | -169.5 | 177.4 | 83.7 | 5.3 | 114.7 | K363 I365 N420 D442 | K363-R446 VanDerWaalsContact CD-O 3.28Å; K363-R446 WeakPolarHBondContact CD-O 3.4Å; K363-R446 WeakPolarHBondContact CE-O 3.18Å; I365-R446 HydrophobicContact CD1-CG 4.33Å; N420-R446 PolarHBondContact OD1-NH2 2.75Å; D442-R446 WeakPolarHBondContact O-CB 3.34Å; D442-R446 PolarHBondContact O-N 2.58Å; D442-R446 VanDerWaalsContact OD1-CD 3.3Å; D442-R446 WeakPolarHBondContact OD1-CD 3.35Å; D442-R446 IonicContact OD1-CZ 2.66Å; D442-R446 IonicContact OD1-NE 2.6Å; D442-R446 IonicContact OD1-NH1 3.86Å; D442-R446 PolarHBondContact OD1-NH1 3.16Å |
| 447 | S | 97.9 | Very high | 96.7 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -94.8 | 141.5 | 177 | -59 | 0 | 0 | 0 | 0 | 112 | K384 T443 | K384-S447 PolarHBondContact NZ-O 3.27Å; K384-S447 VanDerWaalsContact NZ-O 3.11Å; T443-S447 VanDerWaalsContact O-CB 3.28Å; T443-S447 WeakPolarHBondContact O-CB 3.44Å; T443-S447 PolarHBondContact O-N 3.47Å |
| 448 | P | 98 | Very high | 96.6 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | trans | -69.7 | 162.8 | 174.3 | 32.7 | -35.9 | 0 | 0 | 0 | 111.1 | P357 D359 T362 K363 | P357-P448 CarbonylContact O-C 3.54Å; D359-P448 WeakPolarHBondContact O-CB 3.45Å; T362-P448 VanDerWaalsContact OG1-CA 3.27Å; T362-P448 WeakPolarHBondContact OG1-CA 3.4Å; T362-P448 VanDerWaalsContact OG1-CB 3.29Å; T362-P448 WeakPolarHBondContact OG1-CB 3.36Å; K363-P448 HydrophobicContact CG-CB 4.43Å | ||
| 449 | G | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 89.7 | -161.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P357 T362 K384 | P357-G449 VanDerWaalsContact O-CA 3.23Å; P357-G449 WeakPolarHBondContact O-CA 3.33Å; P357-G449 PolarHBondContact O-N 2.83Å; P357-G449 VanDerWaalsContact O-N 3.16Å; T362-G449 PolarHBondContact OG1-N 3.4Å; K384-G449 PolarHBondContact NZ-O 3.35Å |
| 450 | L | 98 | Very high | 96.4 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -70.4 | 155 | 179.6 | -68 | 172.3 | 0 | 0 | 0 | 111.7 | L348 L349 V352 | L348-L450 HydrophobicContact CD2-CD2 4.49Å; L348-L450 HydrophobicContact CG-CD2 4.09Å; L349-L450 HydrophobicContact CD2-CD1 3.52Å; L349-L450 HydrophobicContact CD2-CD2 3.74Å; L349-L450 HydrophobicContact CD2-CG 4.29Å; V352-L450 HydrophobicContact CB-CD2 4.06Å; V352-L450 HydrophobicContact CB-CG 4.37Å; V352-L450 HydrophobicContact CG1-CD2 4.37Å; V352-L450 HydrophobicContact CG1-CG 4.13Å; V352-L450 HydrophobicContact CG2-CD2 3.85Å; V352-L450 HydrophobicContact CG2-CG 4.4Å |
| 451 | P | 97.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.078 | 32% | 0.315 | C | S | . | . | trans | -62.2 | 155.2 | 171.8 | 28.3 | -36.5 | 0 | 0 | 0 | 112.3 | L387 W444 W453 | L387-P451 HydrophobicContact CD2-CG 3.92Å; W444-P451 HydrophobicContact CD2-CB 3.8Å; W444-P451 HydrophobicContact CE3-CB 3.52Å; W444-P451 HydrophobicContact CH2-CB 3.24Å; W444-P451 HydrophobicContact CH2-CG 3.81Å; W444-P451 HydrophobicContact CZ2-CB 3.53Å; W444-P451 HydrophobicContact CZ2-CG 4.45Å; W444-P451 HydrophobicContact CZ3-CB 3.24Å; W444-P451 HydrophobicContact CZ3-CG 3.85Å; P451-W453 PolarHBondContact O-N 2.98Å | ||
| 452 | P | 95.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -75.8 | 23.3 | 179.2 | 34.4 | -37.8 | 0 | 0 | 0 | 113.3 | Q440 T443 | Q440-P452 HydrophobicContact CB-CG 3.96Å; T443-P452 HydrophobicContact CG2-CB 4.39Å; T443-P452 HydrophobicContact CG2-CG 4.14Å |
| 453 | W | 97.1 | Very high | 96.5 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 21% | 0.208 | 31% | 0.306 | C | S | . | . | trans | -145.6 | 137 | -172.6 | 175.7 | 69.9 | 0 | 0 | 0 | 110.5 | L387 Y390 Y391 T394 W444 P451 P455 | L387-W453 HydrophobicContact CD1-CE3 4.46Å; L387-W453 HydrophobicContact CD1-CZ3 3.72Å; L387-W453 HydrophobicContact CG-CE3 4.34Å; L387-W453 HydrophobicContact CG-CZ3 4Å; Y390-W453 AromaticContact CD1-CH2 3.79Å; Y390-W453 HydrophobicContact CD1-CH2 3.79Å; Y390-W453 HydrophobicContact CD1-CZ3 4.21Å; Y390-W453 HydrophobicContact CE1-CH2 4Å; Y391-W453 AromaticContact CD2-CD2 3.58Å; Y391-W453 HydrophobicContact CD2-CD2 3.58Å; Y391-W453 AromaticContact CD2-CE2 3.69Å; Y391-W453 AromaticContact CD2-CE3 3.96Å; Y391-W453 HydrophobicContact CD2-CE3 3.96Å; Y391-W453 AromaticContact CD2-CG 3.84Å; Y391-W453 HydrophobicContact CD2-CG 3.84Å; Y391-W453 HydrophobicContact CD2-CH2 4.43Å; Y391-W453 HydrophobicContact CD2-CZ2 4.13Å; Y391-W453 HydrophobicContact CD2-CZ3 4.35Å; Y391-W453 AromaticContact CD2-NE1 3.98Å; Y391-W453 AromaticContact CE2-CD1 3.99Å; Y391-W453 HydrophobicContact CE2-CD2 4.27Å; Y391-W453 HydrophobicContact CE2-CG 4.06Å; Y391-W453 HydrophobicContact CG-CD2 4.31Å; Y391-W453 HydrophobicContact CG-CE3 4.26Å; T394-W453 HydrophobicContact CG2-CH2 4.09Å; T394-W453 HydrophobicContact CG2-CZ2 4Å; W444-W453 AromaticContact CH2-CE3 3.95Å; W444-W453 HydrophobicContact CH2-CE3 3.95Å; W444-W453 HydrophobicContact CZ2-CB 3.87Å; W444-W453 AromaticContact CZ2-CE3 3.99Å; W444-W453 HydrophobicContact CZ2-CE3 3.99Å; P451-W453 PolarHBondContact O-N 2.98Å; W453-P455 HydrophobicContact CE3-CB 4.28Å; W453-P455 HydrophobicContact CH2-CB 3.63Å; W453-P455 HydrophobicContact CZ2-CB 4.2Å; W453-P455 HydrophobicContact CZ3-CB 3.67Å | ||
| 454 | I | 97.1 | Very high | 96.5 | Very high | 129 Ų | 129 | 60.2 Ų | 60.2 | 66% | 0.662 | 31% | 0.311 | S | S | * | . | trans | -103.2 | 118.5 | 174.7 | -59.3 | 175 | 0 | 0 | 0 | 107.6 | ||||
| 455 | P | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | trans | -67.6 | 154 | 179.6 | 28.1 | -35.2 | 0 | 0 | 0 | 112.6 | Y345 L387 W453 F457 | Y345-P455 HydrophobicContact CD1-CG 3.97Å; Y345-P455 HydrophobicContact CD2-CG 3.83Å; Y345-P455 HydrophobicContact CE1-CG 4.15Å; Y345-P455 HydrophobicContact CE2-CG 4.01Å; Y345-P455 HydrophobicContact CG-CG 3.8Å; L387-P455 HydrophobicContact CD1-CB 3.99Å; L387-P455 HydrophobicContact CD1-CG 4.03Å; W453-P455 HydrophobicContact CE3-CB 4.28Å; W453-P455 HydrophobicContact CH2-CB 3.63Å; W453-P455 HydrophobicContact CZ2-CB 4.2Å; W453-P455 HydrophobicContact CZ3-CB 3.67Å; P455-F457 HydrophobicContact CB-CD1 4.43Å; P455-F457 HydrophobicContact CB-CE1 3.61Å; P455-F457 HydrophobicContact CB-CZ 3.71Å; P455-F457 HydrophobicContact CG-CE1 3.84Å; P455-F457 HydrophobicContact CG-CE2 4.18Å; P455-F457 HydrophobicContact CG-CZ 3.39Å | ||
| 456 | K | 96 | Very high | 96.5 | Very high | 173 Ų | 173 | 61.4 Ų | 61.4 | 75% | 0.752 | 32% | 0.317 | S | S | * | . | trans | -112.5 | 145.1 | 165.2 | -64.9 | -177.8 | 178.9 | -178.8 | 0 | 108.3 | Y390 | Y390-K456 PolarHBondContact OH-O 2.85Š| ||
| 457 | F | 95.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | trans | -124.3 | 132.5 | -175.9 | -51.5 | -59.7 | 0 | 0 | 0 | 110.4 | H338 L341 Y345 P455 A459 L463 | H338-F457 HydrophobicContact CB-CB 4.28Å; L341-F457 HydrophobicContact CB-CD1 3.77Å; L341-F457 HydrophobicContact CB-CE1 3.63Å; Y345-F457 HydrophobicContact CD1-CE2 4.38Å; Y345-F457 HydrophobicContact CD1-CZ 4.25Å; Y345-F457 HydrophobicContact CG-CZ 4.22Å; P455-F457 HydrophobicContact CB-CD1 4.43Å; P455-F457 HydrophobicContact CB-CE1 3.61Å; P455-F457 HydrophobicContact CB-CZ 3.71Å; P455-F457 HydrophobicContact CG-CE1 3.84Å; P455-F457 HydrophobicContact CG-CE2 4.18Å; P455-F457 HydrophobicContact CG-CZ 3.39Å; F457-A459 PolarHBondContact O-N 2.85Å; F457-L463 HydrophobicContact CB-CD1 4.29Å | ||
| 458 | D | 94.1 | Very high | 96.5 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -86.3 | 62.5 | 178.7 | -58.9 | -34.7 | 0 | 0 | 0 | 110.3 | H338 | H338-D458 IonicContact CE1-OD2 2.85Å; H338-D458 PolarHBondContact ND1-N 3.41Å; H338-D458 IonicContact NE2-OD2 3.76Å |
| 459 | A | 93.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | trans | -143.3 | 27.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H338 L339 F457 E461 L462 L463 | H338-A459 HydrophobicContact CB-CB 3.83Å; L339-A459 HydrophobicContact CD2-CB 4.49Å; L339-A459 HydrophobicContact CG-CB 4.46Å; F457-A459 PolarHBondContact O-N 2.85Å; A459-E461 VanDerWaalsContact C-N 3.31Å; A459-E461 PolarHBondContact O-N 2.87Å; A459-E461 VanDerWaalsContact O-N 3.16Å; A459-L462 PolarHBondContact O-N 3.12Å; A459-L463 HydrophobicContact CB-CD1 4.32Å; A459-L463 HydrophobicContact CB-CG 4.22Å; A459-L463 WeakPolarHBondContact O-CG 3.42Å; A459-L463 PolarHBondContact O-N 2.75Å | ||
| 460 | D | 92.9 | Very high | 96.5 | Very high | 127 Ų | 127 | 60.8 Ų | 60.8 | 68% | 0.679 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -49.4 | -45 | -171.2 | -71.9 | -18.6 | 0 | 0 | 0 | 114 | L462 L463 S464 | D460-L462 PolarHBondContact O-N 3.27Å; D460-L463 PolarHBondContact O-N 2.77Å; D460-S464 WeakPolarHBondContact O-CB 3.47Å; D460-S464 PolarHBondContact O-N 2.74Å |
| 461 | E | 94.9 | Very high | 96.4 | Very high | 162 Ų | 162 | 64.2 Ų | 64.2 | 76% | 0.757 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.5 | -47.7 | 179 | -67.5 | -174.7 | 176.5 | 0 | 0 | 111.5 | A459 S464 E465 | A459-E461 VanDerWaalsContact C-N 3.31Å; A459-E461 PolarHBondContact O-N 2.87Å; A459-E461 VanDerWaalsContact O-N 3.16Å; E461-S464 PolarHBondContact O-N 2.89Å; E461-S464 PolarHBondContact O-OG 2.97Å; E461-E465 PolarHBondContact O-N 3.41Å; E461-E465 VanDerWaalsContact O-N 3.16Å |
| 462 | L | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.7 | -34.8 | -178.5 | -59.7 | 178.4 | 0 | 0 | 0 | 112.1 | H335 L339 A459 D460 E465 C466 Q499 | H335-L462 HydrophobicContact CB-CD1 3.82Å; L339-L462 HydrophobicContact CD1-CB 4.29Å; L339-L462 HydrophobicContact CD1-CD1 3.68Å; L339-L462 HydrophobicContact CD2-CB 4.03Å; L339-L462 HydrophobicContact CG-CB 4.42Å; L339-L462 HydrophobicContact CG-CD1 4.19Å; A459-L462 PolarHBondContact O-N 3.12Å; D460-L462 PolarHBondContact O-N 3.27Å; L462-E465 WeakPolarHBondContact O-CB 3.44Å; L462-E465 PolarHBondContact O-N 2.62Å; L462-C466 PolarHBondContact O-N 3.46Å; L462-C466 PolarHBondContact O-SG 2.79Å; L462-Q499 HydrophobicContact CB-CG 4.46Å; L462-Q499 PolarHBondContact O-NE2 3.35Å |
| 463 | L | 97.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.5 | -37 | 173.9 | -66.2 | 175.1 | 0 | 0 | 0 | 111.2 | L339 F457 A459 D460 E465 C466 D467 L502 | L339-L463 HydrophobicContact CD2-CD2 3.95Å; F457-L463 HydrophobicContact CB-CD1 4.29Å; A459-L463 HydrophobicContact CB-CD1 4.32Å; A459-L463 HydrophobicContact CB-CG 4.22Å; A459-L463 WeakPolarHBondContact O-CG 3.42Å; A459-L463 PolarHBondContact O-N 2.75Å; D460-L463 PolarHBondContact O-N 2.77Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 PolarHBondContact O-N 2.91Å; L463-C466 WeakPolarHBondContact O-CA 3.44Å; L463-C466 VanDerWaalsContact O-CB 3.27Å; L463-C466 WeakPolarHBondContact O-CB 3.4Å; L463-C466 PolarHBondContact O-N 2.88Å; L463-D467 PolarHBondContact O-N 2.96Å; L463-L502 HydrophobicContact CD2-CD2 3.7Å |
| 464 | S | 97.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 174.3 | 87.6 | 0 | 0 | 0 | 0 | 112.8 | D460 E461 D467 S468 | D460-S464 WeakPolarHBondContact O-CB 3.47Å; D460-S464 PolarHBondContact O-N 2.74Å; E461-S464 PolarHBondContact O-N 2.89Å; E461-S464 PolarHBondContact O-OG 2.97Å; S464-D467 PolarHBondContact O-N 3.08Å; S464-S468 WeakPolarHBondContact O-CB 3.47Å; S464-S468 PolarHBondContact O-N 2.86Å; S464-S468 PolarHBondContact O-OG 2.97Å |
| 465 | E | 98.1 | Very high | 96 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 171.2 | -71.3 | -179.7 | 163.3 | 0 | 0 | 111.1 | E461 L462 L463 S468 M469 L491 K494 Q499 | E461-E465 PolarHBondContact O-N 3.41Å; E461-E465 VanDerWaalsContact O-N 3.16Å; L462-E465 WeakPolarHBondContact O-CB 3.44Å; L462-E465 PolarHBondContact O-N 2.62Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 PolarHBondContact O-N 2.91Å; E465-S468 PolarHBondContact O-N 3.42Å; E465-M469 WeakPolarHBondContact O-CB 3.3Å; E465-M469 PolarHBondContact O-N 2.86Å; E465-L491 HydrophobicContact CB-CD1 4.13Å; E465-L491 HydrophobicContact CG-CD1 4.08Å; E465-K494 WeakPolarHBondContact OE1-CE 3.35Å; E465-K494 IonicContact OE1-NZ 3.21Å; E465-K494 PolarHBondContact OE1-NZ 3.46Å; E465-Q499 PolarHBondContact OE2-NE2 3.23Å |
| 466 | C | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | L462 L463 S468 M469 Q470 T503 | L462-C466 PolarHBondContact O-N 3.46Å; L462-C466 PolarHBondContact O-SG 2.79Å; L463-C466 WeakPolarHBondContact O-CA 3.44Å; L463-C466 VanDerWaalsContact O-CB 3.27Å; L463-C466 WeakPolarHBondContact O-CB 3.4Å; L463-C466 PolarHBondContact O-N 2.88Å; C466-S468 VanDerWaalsContact C-N 3.34Å; C466-S468 PolarHBondContact O-N 2.78Å; C466-M469 PolarHBondContact O-N 2.78Å; C466-Q470 PolarHBondContact O-N 3.01Å; C466-T503 WeakPolarHBondContact CA-OG1 3.01Å; C466-T503 VanDerWaalsContact CB-OG1 3.31Å; C466-T503 WeakPolarHBondContact CB-OG1 3.4Å; C466-T503 PolarHBondContact O-OG1 3.03Å |
| 467 | D | 97.5 | Very high | 94.9 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.4 | -66.8 | -20.2 | 0 | 0 | 0 | 111.7 | L463 S464 Q470 K471 | L463-D467 PolarHBondContact O-N 2.96Å; S464-D467 PolarHBondContact O-N 3.08Å; D467-Q470 PolarHBondContact O-N 3.1Å; D467-K471 WeakPolarHBondContact O-CG 3.44Å; D467-K471 PolarHBondContact O-N 2.92Å |
| 468 | S | 97.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | S464 E465 C466 K471 L472 | S464-S468 WeakPolarHBondContact O-CB 3.47Å; S464-S468 PolarHBondContact O-N 2.86Å; S464-S468 PolarHBondContact O-OG 2.97Å; E465-S468 PolarHBondContact O-N 3.42Å; C466-S468 VanDerWaalsContact C-N 3.34Å; C466-S468 PolarHBondContact O-N 2.78Å; S468-K471 PolarHBondContact O-N 3.33Å; S468-L472 WeakPolarHBondContact O-CG 3.39Å; S468-L472 PolarHBondContact O-N 3.28Å; S468-L472 VanDerWaalsContact O-N 3.13Å |
| 469 | M | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.5 | -178.2 | 59.4 | 73.7 | 0 | 0 | 111.6 | E465 C466 K471 L472 L473 L488 L491 W492 M495 T503 | E465-M469 WeakPolarHBondContact O-CB 3.3Å; E465-M469 PolarHBondContact O-N 2.86Å; C466-M469 PolarHBondContact O-N 2.78Å; M469-K471 VanDerWaalsContact C-N 3.28Å; M469-K471 PolarHBondContact O-N 3.42Å; M469-L472 PolarHBondContact O-N 3.46Å; M469-L472 VanDerWaalsContact O-N 3.09Å; M469-L473 HydrophobicContact CG-CD1 3.82Å; M469-L473 HydrophobicContact CG-CG 4.21Å; M469-L473 WeakPolarHBondContact O-CG 3.45Å; M469-L473 PolarHBondContact O-N 3.06Å; M469-L473 HydrophobicContact SD-CD1 4.22Å; M469-L473 HydrophobicContact SD-CD2 4.49Å; M469-L473 HydrophobicContact SD-CG 4.05Å; M469-L488 WeakPolarHBondContact CE-O 3.06Å; M469-L488 HydrophobicContact SD-CG 4.01Å; M469-L491 HydrophobicContact CB-CD2 3.95Å; M469-L491 HydrophobicContact CE-CB 3.66Å; M469-L491 HydrophobicContact CE-CD2 3.97Å; M469-L491 HydrophobicContact CE-CG 3.72Å; M469-W492 VanDerWaalsContact CE-CA 3.44Å; M469-W492 HydrophobicContact CE-CB 3.62Å; M469-W492 HydrophobicContact CE-CE3 4.14Å; M469-W492 HydrophobicContact CG-CE3 4.49Å; M469-W492 HydrophobicContact SD-CE3 4.4Å; M469-M495 HydrophobicContact CB-CE 4.03Å; M469-M495 HydrophobicContact CB-SD 3.84Å; M469-M495 HydrophobicContact CE-SD 3.63Å; M469-M495 HydrophobicContact CG-CE 4.28Å; M469-M495 HydrophobicContact CG-SD 4.03Å; M469-T503 HydrophobicContact CB-CG2 3.86Å; M469-T503 HydrophobicContact CG-CG2 3.59Å |
| 470 | Q | 96.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 176.1 | -175.7 | -171.9 | 1.4 | 0 | 0 | 110.9 | C466 D467 L472 L473 T474 T503 H506 V507 S510 | C466-Q470 PolarHBondContact O-N 3.01Å; D467-Q470 PolarHBondContact O-N 3.1Å; Q470-L472 VanDerWaalsContact C-N 3.34Å; Q470-L472 PolarHBondContact O-N 2.68Å; Q470-L473 PolarHBondContact O-N 2.79Å; Q470-T474 HydrophobicContact CG-CG2 4.42Å; Q470-T474 WeakPolarHBondContact O-CB 3.41Å; Q470-T474 WeakPolarHBondContact O-CG2 3.14Å; Q470-T474 PolarHBondContact O-N 3Å; Q470-T474 PolarHBondContact O-OG1 3.5Å; Q470-T503 HydrophobicContact CB-CG2 4.34Å; Q470-H506 HydrophobicContact CG-CB 4.44Å; Q470-H506 PolarHBondContact NE2-O 2.87Å; Q470-V507 HydrophobicContact CG-CG2 3.97Å; Q470-S510 PolarHBondContact NE2-OG 3.38Å |
| 471 | K | 95.8 | Very high | 94.1 | Very high | 146 Ų | 146 | 52.9 Ų | 52.9 | 64% | 0.635 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 175.6 | -72.2 | 170.5 | -173.5 | 170.2 | 0 | 112.7 | D467 S468 M469 T474 S475 | D467-K471 WeakPolarHBondContact O-CG 3.44Å; D467-K471 PolarHBondContact O-N 2.92Å; S468-K471 PolarHBondContact O-N 3.33Å; M469-K471 VanDerWaalsContact C-N 3.28Å; M469-K471 PolarHBondContact O-N 3.42Å; K471-T474 PolarHBondContact O-OG1 2.67Å; K471-S475 PolarHBondContact O-N 3.01Å |
| 472 | L | 95.6 | Very high | 94 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 176.8 | -71.7 | 166.4 | 0 | 0 | 0 | 112 | S468 M469 Q470 T474 S475 E484 L488 L491 | S468-L472 WeakPolarHBondContact O-CG 3.39Å; S468-L472 PolarHBondContact O-N 3.28Å; S468-L472 VanDerWaalsContact O-N 3.13Å; M469-L472 PolarHBondContact O-N 3.46Å; M469-L472 VanDerWaalsContact O-N 3.09Å; Q470-L472 VanDerWaalsContact C-N 3.34Å; Q470-L472 PolarHBondContact O-N 2.68Å; L472-T474 VanDerWaalsContact C-N 3.33Å; L472-S475 WeakPolarHBondContact O-CB 3.05Å; L472-S475 PolarHBondContact O-N 3.48Å; L472-E484 HydrophobicContact CD2-CB 4.14Å; L472-E484 HydrophobicContact CD2-CG 3.99Å; L472-L488 HydrophobicContact CB-CB 4.29Å; L472-L488 HydrophobicContact CB-CD1 4.35Å; L472-L488 HydrophobicContact CB-CG 4.42Å; L472-L488 HydrophobicContact CD1-CB 4.3Å; L472-L491 HydrophobicContact CD1-CD2 4.23Å |
| 473 | L | 95.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69 | -31.4 | 178.3 | -68.3 | 170 | 0 | 0 | 0 | 112.6 | M469 Q470 L488 T503 L504 V507 I521 L525 | M469-L473 HydrophobicContact CG-CD1 3.82Å; M469-L473 HydrophobicContact CG-CG 4.21Å; M469-L473 WeakPolarHBondContact O-CG 3.45Å; M469-L473 PolarHBondContact O-N 3.06Å; M469-L473 HydrophobicContact SD-CD1 4.22Å; M469-L473 HydrophobicContact SD-CD2 4.49Å; M469-L473 HydrophobicContact SD-CG 4.05Å; Q470-L473 PolarHBondContact O-N 2.79Å; L473-L488 HydrophobicContact CD2-CD1 3.98Å; L473-L488 HydrophobicContact CD2-CG 4.49Å; L473-T503 HydrophobicContact CD1-CG2 3.82Å; L473-L504 HydrophobicContact CD1-CD2 4.11Å; L473-V507 HydrophobicContact CB-CG2 4.16Å; L473-V507 HydrophobicContact CD1-CG2 3.92Å; L473-I521 HydrophobicContact CB-CD1 4.43Å; L473-I521 HydrophobicContact CD2-CD1 3.81Å; L473-I521 HydrophobicContact CD2-CG1 3.93Å; L473-I521 HydrophobicContact CD2-CG2 3.79Å; L473-L525 HydrophobicContact CD2-CD1 4.4Å |
| 474 | T | 94.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -94.2 | -0.7 | 180 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | Q470 K471 L472 S476 L513 | Q470-T474 HydrophobicContact CG-CG2 4.42Å; Q470-T474 WeakPolarHBondContact O-CB 3.41Å; Q470-T474 WeakPolarHBondContact O-CG2 3.14Å; Q470-T474 PolarHBondContact O-N 3Å; Q470-T474 PolarHBondContact O-OG1 3.5Å; K471-T474 PolarHBondContact O-OG1 2.67Å; L472-T474 VanDerWaalsContact C-N 3.33Å; T474-S476 PolarHBondContact O-N 2.86Å; T474-L513 HydrophobicContact CG2-CD2 3.91Å |
| 475 | S | 92.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | trans | -62.8 | 130 | 179.9 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | K471 L472 D477 E484 N517 | K471-S475 PolarHBondContact O-N 3.01Å; L472-S475 WeakPolarHBondContact O-CB 3.05Å; L472-S475 PolarHBondContact O-N 3.48Å; S475-D477 PolarHBondContact O-N 3.35Å; S475-D477 PolarHBondContact OG-N 3.25Å; S475-E484 WeakPolarHBondContact CB-OE2 3.39Å; S475-E484 PolarHBondContact OG-OE2 2.91Å; S475-N517 PolarHBondContact O-ND2 2.88Å | ||
| 476 | S | 87 | Confident | 93.5 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.1 | 174 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | T474 | T474-S476 PolarHBondContact O-N 2.86Š|
| 477 | D | 84.6 | Confident | 93.4 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.7 | -166.8 | -61.6 | -11.4 | 0 | 0 | 0 | 112.7 | S475 C479 S480 N481 | S475-D477 PolarHBondContact O-N 3.35Å; S475-D477 PolarHBondContact OG-N 3.25Å; D477-C479 VanDerWaalsContact C-N 3.27Å; D477-C479 PolarHBondContact O-N 3.24Å; D477-C479 VanDerWaalsContact O-N 3.16Å; D477-S480 CarbonylContact O-C 3.56Å; D477-S480 WeakPolarHBondContact O-CA 3.36Å; D477-S480 PolarHBondContact O-N 3.09Å; D477-S480 PolarHBondContact O-OG 2.95Å; D477-N481 WeakPolarHBondContact O-CB 3.41Å; D477-N481 PolarHBondContact O-N 3Å |
| 478 | L | 89.4 | Confident | 93.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -45.6 | -173.1 | -179.6 | 63.8 | 0 | 0 | 0 | 112.1 | S480 N481 E484 M485 L488 I521 | L478-S480 VanDerWaalsContact C-N 3.25Å; L478-S480 PolarHBondContact O-N 2.78Å; L478-N481 PolarHBondContact O-N 2.78Å; L478-E484 HydrophobicContact CD1-CB 4.18Å; L478-M485 HydrophobicContact CD1-CG 4.12Å; L478-M485 WeakPolarHBondContact O-CE 3.24Å; L478-M485 WeakPolarHBondContact O-CG 3.43Å; L478-L488 HydrophobicContact CD1-CD1 3.76Å; L478-L488 HydrophobicContact CD2-CD1 3.86Å; L478-L488 HydrophobicContact CG-CD1 4.49Å; L478-I521 HydrophobicContact CD2-CD1 4.1Å; L478-I521 HydrophobicContact CD2-CG1 3.58Å |
| 479 | C | 87.5 | Confident | 93.3 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 35% | 0.345 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.5 | 179.3 | -72.9 | 0 | 0 | 0 | 0 | 114.3 | D477 M485 N516 N517 | D477-C479 VanDerWaalsContact C-N 3.27Å; D477-C479 PolarHBondContact O-N 3.24Å; D477-C479 VanDerWaalsContact O-N 3.16Å; C479-M485 VanDerWaalsContact C-CE 3.45Å; C479-M485 WeakPolarHBondContact O-CE 3.3Å; C479-N516 PolarHBondContact SG-O 3.09Å; C479-N517 PolarHBondContact SG-OD1 2.86Å |
| 480 | S | 89.7 | Confident | 93.3 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -12.4 | -179.1 | 50.6 | 0 | 0 | 0 | 0 | 114 | D477 L478 | D477-S480 CarbonylContact O-C 3.56Å; D477-S480 WeakPolarHBondContact O-CA 3.36Å; D477-S480 PolarHBondContact O-N 3.09Å; D477-S480 PolarHBondContact O-OG 2.95Å; L478-S480 VanDerWaalsContact C-N 3.25Å; L478-S480 PolarHBondContact O-N 2.78Å |
| 481 | N | 92 | Very high | 93.3 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | trans | -111.7 | 94.4 | -171.9 | -170.3 | -18.9 | 0 | 0 | 0 | 112 | D477 L478 T483 E484 M485 | D477-N481 WeakPolarHBondContact O-CB 3.41Å; D477-N481 PolarHBondContact O-N 3Å; L478-N481 PolarHBondContact O-N 2.78Å; N481-T483 PolarHBondContact O-N 2.78Å; N481-T483 WeakPolarHBondContact OD1-CB 3.35Å; N481-T483 PolarHBondContact OD1-N 3.37Å; N481-E484 HydrophobicContact CB-CB 3.98Å; N481-E484 HydrophobicContact CB-CG 4.15Å; N481-E484 VanDerWaalsContact ND2-CD 3.28Å; N481-E484 WeakPolarHBondContact ND2-CG 3.18Å; N481-E484 PolarHBondContact ND2-OE1 2.96Å; N481-E484 PolarHBondContact O-N 2.5Å; N481-E484 VanDerWaalsContact O-N 3.1Å; N481-E484 PolarHBondContact OD1-N 3.41Å; N481-E484 VanDerWaalsContact OD1-N 3.13Å; N481-M485 WeakPolarHBondContact O-CG 3.3Å; N481-M485 PolarHBondContact O-N 2.87Å | ||
| 482 | V | 93 | Very high | 93.4 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -31 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | K486 | V482-K486 HydrophobicContact CG1-CD 4.4Å; V482-K486 WeakPolarHBondContact O-CG 3.48Å; V482-K486 PolarHBondContact O-N 3.2Å; V482-K486 VanDerWaalsContact O-N 3.1Å |
| 483 | T | 94 | Very high | 93.5 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.7 | -39.2 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | N481 S487 | N481-T483 PolarHBondContact O-N 2.78Å; N481-T483 WeakPolarHBondContact OD1-CB 3.35Å; N481-T483 PolarHBondContact OD1-N 3.37Å; T483-S487 WeakPolarHBondContact O-CB 3.45Å; T483-S487 PolarHBondContact O-N 2.75Å; T483-S487 PolarHBondContact O-OG 3.38Å |
| 484 | E | 93.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 172.9 | -80.3 | 175.8 | -149.6 | 0 | 0 | 111.3 | L472 S475 L478 N481 K486 S487 L488 | L472-E484 HydrophobicContact CD2-CB 4.14Å; L472-E484 HydrophobicContact CD2-CG 3.99Å; S475-E484 WeakPolarHBondContact CB-OE2 3.39Å; S475-E484 PolarHBondContact OG-OE2 2.91Å; L478-E484 HydrophobicContact CD1-CB 4.18Å; N481-E484 HydrophobicContact CB-CB 3.98Å; N481-E484 HydrophobicContact CB-CG 4.15Å; N481-E484 VanDerWaalsContact ND2-CD 3.28Å; N481-E484 WeakPolarHBondContact ND2-CG 3.18Å; N481-E484 PolarHBondContact ND2-OE1 2.96Å; N481-E484 PolarHBondContact O-N 2.5Å; N481-E484 VanDerWaalsContact O-N 3.1Å; N481-E484 PolarHBondContact OD1-N 3.41Å; N481-E484 VanDerWaalsContact OD1-N 3.13Å; E484-K486 VanDerWaalsContact C-N 3.32Å; E484-K486 PolarHBondContact O-N 2.85Å; E484-S487 PolarHBondContact O-N 3.32Å; E484-L488 WeakPolarHBondContact O-CB 3.23Å; E484-L488 PolarHBondContact O-N 3.1Å |
| 485 | M | 95.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 15% | 0.148 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.6 | -46.7 | 176.7 | -63.3 | 177.9 | -160.9 | 0 | 0 | 111.9 | L478 C479 N481 S487 L488 T489 K520 L524 | L478-M485 HydrophobicContact CD1-CG 4.12Å; L478-M485 WeakPolarHBondContact O-CE 3.24Å; L478-M485 WeakPolarHBondContact O-CG 3.43Å; C479-M485 VanDerWaalsContact C-CE 3.45Å; C479-M485 WeakPolarHBondContact O-CE 3.3Å; N481-M485 WeakPolarHBondContact O-CG 3.3Å; N481-M485 PolarHBondContact O-N 2.87Å; M485-S487 VanDerWaalsContact C-N 3.34Å; M485-S487 PolarHBondContact O-N 2.83Å; M485-L488 PolarHBondContact O-N 3.37Å; M485-T489 PolarHBondContact O-N 3.33Å; M485-T489 PolarHBondContact O-OG1 3.26Å; M485-K520 HydrophobicContact CE-CD 4.36Å; M485-K520 HydrophobicContact CE-CG 4.49Å; M485-K520 HydrophobicContact SD-CD 4.19Å; M485-L524 HydrophobicContact CB-CD1 4.02Å; M485-L524 HydrophobicContact CG-CD1 4.18Å |
| 486 | K | 95.3 | Very high | 93.9 | Very high | 148 Ų | 148 | 64.2 Ų | 64.2 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -38.7 | 177 | -73.7 | 178 | -179.5 | 179 | 0 | 112.3 | V482 E484 R490 | V482-K486 HydrophobicContact CG1-CD 4.4Å; V482-K486 WeakPolarHBondContact O-CG 3.48Å; V482-K486 PolarHBondContact O-N 3.2Å; V482-K486 VanDerWaalsContact O-N 3.1Å; E484-K486 VanDerWaalsContact C-N 3.32Å; E484-K486 PolarHBondContact O-N 2.85Å; K486-R490 VanDerWaalsContact O-CB 3.25Å; K486-R490 WeakPolarHBondContact O-CB 3.4Å; K486-R490 PolarHBondContact O-N 3.14Å |
| 487 | S | 95.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 62.1 Ų | 62.1 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | T483 E484 M485 R490 L491 | T483-S487 WeakPolarHBondContact O-CB 3.45Å; T483-S487 PolarHBondContact O-N 2.75Å; T483-S487 PolarHBondContact O-OG 3.38Å; E484-S487 PolarHBondContact O-N 3.32Å; M485-S487 VanDerWaalsContact C-N 3.34Å; M485-S487 PolarHBondContact O-N 2.83Å; S487-R490 PolarHBondContact O-N 3.03Å; S487-L491 VanDerWaalsContact O-CB 3.28Å; S487-L491 WeakPolarHBondContact O-CB 3.41Å; S487-L491 PolarHBondContact O-N 2.93Å |
| 488 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -56.7 | 174.4 | -176.4 | 164.8 | 0 | 0 | 0 | 110.6 | M469 L472 L473 L478 E484 M485 R490 L491 W492 L525 | M469-L488 WeakPolarHBondContact CE-O 3.06Å; M469-L488 HydrophobicContact SD-CG 4.01Å; L472-L488 HydrophobicContact CB-CB 4.29Å; L472-L488 HydrophobicContact CB-CD1 4.35Å; L472-L488 HydrophobicContact CB-CG 4.42Å; L472-L488 HydrophobicContact CD1-CB 4.3Å; L473-L488 HydrophobicContact CD2-CD1 3.98Å; L473-L488 HydrophobicContact CD2-CG 4.49Å; L478-L488 HydrophobicContact CD1-CD1 3.76Å; L478-L488 HydrophobicContact CD2-CD1 3.86Å; L478-L488 HydrophobicContact CG-CD1 4.49Å; E484-L488 WeakPolarHBondContact O-CB 3.23Å; E484-L488 PolarHBondContact O-N 3.1Å; M485-L488 PolarHBondContact O-N 3.37Å; L488-R490 VanDerWaalsContact C-N 3.32Å; L488-R490 PolarHBondContact O-N 3Å; L488-L491 PolarHBondContact O-N 3.5Å; L488-W492 WeakPolarHBondContact O-CB 3.5Å; L488-W492 PolarHBondContact O-N 2.88Å; L488-L525 HydrophobicContact CD2-CD1 3.77Å; L488-L525 HydrophobicContact CD2-CD2 3.74Å; L488-L525 HydrophobicContact CD2-CG 3.83Å |
| 489 | T | 97.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | -180 | -56 | 0 | 0 | 0 | 0 | 112.3 | M485 N493 | M485-T489 PolarHBondContact O-N 3.33Å; M485-T489 PolarHBondContact O-OG1 3.26Å; T489-N493 WeakPolarHBondContact O-CB 3.49Å; T489-N493 VanDerWaalsContact O-CG 3.25Å; T489-N493 PolarHBondContact O-N 3.47Å; T489-N493 VanDerWaalsContact O-N 3.15Å; T489-N493 PolarHBondContact O-ND2 3.04Å |
| 490 | R | 97.8 | Very high | 95.9 | Very high | 182 Ų | 182 | 58.1 Ų | 58.1 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 178.6 | -178.6 | -179.5 | 63.4 | 178.9 | -1.9 | 112 | K486 S487 L488 K494 | K486-R490 VanDerWaalsContact O-CB 3.25Å; K486-R490 WeakPolarHBondContact O-CB 3.4Å; K486-R490 PolarHBondContact O-N 3.14Å; S487-R490 PolarHBondContact O-N 3.03Å; L488-R490 VanDerWaalsContact C-N 3.32Å; L488-R490 PolarHBondContact O-N 3Å; R490-K494 PolarHBondContact O-N 3.27Å |
| 491 | L | 98 | Very high | 96.3 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | -179.4 | -176.3 | 60.2 | 0 | 0 | 0 | 110.7 | E465 M469 L472 S487 L488 N493 K494 M495 | E465-L491 HydrophobicContact CB-CD1 4.13Å; E465-L491 HydrophobicContact CG-CD1 4.08Å; M469-L491 HydrophobicContact CB-CD2 3.95Å; M469-L491 HydrophobicContact CE-CB 3.66Å; M469-L491 HydrophobicContact CE-CD2 3.97Å; M469-L491 HydrophobicContact CE-CG 3.72Å; L472-L491 HydrophobicContact CD1-CD2 4.23Å; S487-L491 VanDerWaalsContact O-CB 3.28Å; S487-L491 WeakPolarHBondContact O-CB 3.41Å; S487-L491 PolarHBondContact O-N 2.93Å; L488-L491 PolarHBondContact O-N 3.5Å; L491-N493 VanDerWaalsContact C-N 3.31Å; L491-N493 PolarHBondContact O-N 3.19Å; L491-K494 WeakPolarHBondContact O-CB 3.42Å; L491-K494 PolarHBondContact O-N 3.36Å; L491-M495 HydrophobicContact CD1-CG 4.44Å; L491-M495 HydrophobicContact CG-CG 4.42Å; L491-M495 HydrophobicContact CG-SD 3.97Å; L491-M495 VanDerWaalsContact O-CG 3.31Å; L491-M495 WeakPolarHBondContact O-CG 3.48Å; L491-M495 PolarHBondContact O-N 3.17Å |
| 492 | W | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 179 | -177.8 | -94 | 0 | 0 | 0 | 112 | M469 L488 K494 M495 R500 L504 L525 L527 I535 | M469-W492 VanDerWaalsContact CE-CA 3.44Å; M469-W492 HydrophobicContact CE-CB 3.62Å; M469-W492 HydrophobicContact CE-CE3 4.14Å; M469-W492 HydrophobicContact CG-CE3 4.49Å; M469-W492 HydrophobicContact SD-CE3 4.4Å; L488-W492 WeakPolarHBondContact O-CB 3.5Å; L488-W492 PolarHBondContact O-N 2.88Å; W492-K494 VanDerWaalsContact C-N 3.26Å; W492-K494 PolarHBondContact O-N 2.99Å; W492-M495 PolarHBondContact O-N 2.94Å; W492-R500 HydrophobicContact CD2-CG 4.02Å; W492-R500 HydrophobicContact CE3-CG 3.95Å; W492-R500 HydrophobicContact CH2-CB 3.62Å; W492-R500 HydrophobicContact CH2-CG 3.72Å; W492-R500 HydrophobicContact CZ2-CB 4.03Å; W492-R500 HydrophobicContact CZ2-CG 3.8Å; W492-R500 HydrophobicContact CZ3-CB 3.91Å; W492-R500 HydrophobicContact CZ3-CG 3.8Å; W492-R500 PolarHBondContact O-NE 3.41Å; W492-R500 PolarHBondContact O-NH2 2.96Å; W492-L504 HydrophobicContact CH2-CD1 4.01Å; W492-L504 HydrophobicContact CH2-CG 4.27Å; W492-L504 HydrophobicContact CZ3-CD2 4.46Å; W492-L504 HydrophobicContact CZ3-CG 4.42Å; W492-L525 HydrophobicContact CB-CD2 3.79Å; W492-L525 HydrophobicContact CD2-CD1 3.7Å; W492-L525 HydrophobicContact CD2-CD2 4.09Å; W492-L525 HydrophobicContact CD2-CG 4.45Å; W492-L525 HydrophobicContact CE3-CD1 3.78Å; W492-L525 HydrophobicContact CG-CD1 4.05Å; W492-L525 HydrophobicContact CG-CD2 3.55Å; W492-L525 HydrophobicContact CG-CG 4.39Å; W492-L525 HydrophobicContact CZ3-CD1 4.26Å; W492-L527 HydrophobicContact CH2-CD2 3.76Å; W492-L527 HydrophobicContact CZ2-CD2 3.53Å; W492-I535 HydrophobicContact CH2-CG2 4.33Å; W492-I535 HydrophobicContact CZ2-CG2 4.32Å |
| 493 | N | 96.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -68.5 | -23 | 179.8 | -70.7 | -19.6 | 0 | 0 | 0 | 113.4 | T489 L491 | T489-N493 WeakPolarHBondContact O-CB 3.49Å; T489-N493 VanDerWaalsContact O-CG 3.25Å; T489-N493 PolarHBondContact O-N 3.47Å; T489-N493 VanDerWaalsContact O-N 3.15Å; T489-N493 PolarHBondContact O-ND2 3.04Å; L491-N493 VanDerWaalsContact C-N 3.31Å; L491-N493 PolarHBondContact O-N 3.19Å |
| 494 | K | 96.7 | Very high | 97.1 | Very high | 143 Ų | 143 | 43 Ų | 43 | 62% | 0.622 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -81.4 | -36.2 | 174.4 | -175.6 | -170 | 173.6 | -165.7 | 0 | 112.2 | E465 R490 L491 W492 | E465-K494 WeakPolarHBondContact OE1-CE 3.35Å; E465-K494 IonicContact OE1-NZ 3.21Å; E465-K494 PolarHBondContact OE1-NZ 3.46Å; R490-K494 PolarHBondContact O-N 3.27Å; L491-K494 WeakPolarHBondContact O-CB 3.42Å; L491-K494 PolarHBondContact O-N 3.36Å; W492-K494 VanDerWaalsContact C-N 3.26Å; W492-K494 PolarHBondContact O-N 2.99Å |
| 495 | M | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -64 | 143.5 | -174.5 | -73.2 | 166.1 | 76.2 | 0 | 0 | 112.6 | M469 L491 W492 Q499 R500 T503 | M469-M495 HydrophobicContact CB-CE 4.03Å; M469-M495 HydrophobicContact CB-SD 3.84Å; M469-M495 HydrophobicContact CE-SD 3.63Å; M469-M495 HydrophobicContact CG-CE 4.28Å; M469-M495 HydrophobicContact CG-SD 4.03Å; L491-M495 HydrophobicContact CD1-CG 4.44Å; L491-M495 HydrophobicContact CG-CG 4.42Å; L491-M495 HydrophobicContact CG-SD 3.97Å; L491-M495 VanDerWaalsContact O-CG 3.31Å; L491-M495 WeakPolarHBondContact O-CG 3.48Å; L491-M495 PolarHBondContact O-N 3.17Å; W492-M495 PolarHBondContact O-N 2.94Å; M495-Q499 HydrophobicContact CB-CB 3.93Å; M495-Q499 HydrophobicContact CE-CB 3.65Å; M495-Q499 HydrophobicContact CG-CB 4.2Å; M495-R500 HydrophobicContact CB-CG 4.07Å; M495-R500 PolarHBondContact O-NE 3.29Å; M495-R500 PolarHBondContact O-NH2 2.96Å; M495-T503 VanDerWaalsContact CE-OG1 3.31Å; M495-T503 WeakPolarHBondContact CE-OG1 3.31Å |
| 496 | S | 96.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | trans | -66.2 | 164.1 | 168.6 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | V498 Q499 R500 | S496-V498 VanDerWaalsContact C-N 3.26Å; S496-V498 PolarHBondContact O-N 2.83Å; S496-V498 PolarHBondContact OG-N 2.9Å; S496-Q499 PolarHBondContact O-N 3.3Å; S496-Q499 PolarHBondContact OG-N 3.17Å; S496-Q499 VanDerWaalsContact OG-N 3.17Å; S496-R500 WeakPolarHBondContact O-CG 3.46Å; S496-R500 PolarHBondContact O-N 2.97Å | ||
| 497 | H | 96.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 36 Ų | 36 | 21% | 0.213 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -36.3 | 175 | 60.4 | -90.3 | 0 | 0 | 0 | 112.1 | S287 R500 E501 | S287-H497 PolarHBondContact O-CD2 2.9Å; S287-H497 PolarHBondContact O-NE2 3.26Å; H497-R500 PolarHBondContact O-N 3.43Å; H497-E501 PolarHBondContact O-N 2.96Å |
| 498 | V | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 176 | -170 | 0 | 0 | 0 | 0 | 111.5 | M336 L339 L343 S496 R500 E501 L502 | M336-V498 HydrophobicContact SD-CB 4.44Å; M336-V498 HydrophobicContact SD-CG2 3.83Å; L339-V498 HydrophobicContact CB-CB 4.38Å; L339-V498 HydrophobicContact CB-CG1 3.83Å; L343-V498 HydrophobicContact CB-CG1 4.28Å; L343-V498 HydrophobicContact CD2-CG1 3.99Å; S496-V498 VanDerWaalsContact C-N 3.26Å; S496-V498 PolarHBondContact O-N 2.83Å; S496-V498 PolarHBondContact OG-N 2.9Å; V498-R500 VanDerWaalsContact C-N 3.34Å; V498-R500 PolarHBondContact O-N 2.7Å; V498-E501 PolarHBondContact O-N 3.17Å; V498-L502 VanDerWaalsContact O-CB 3.29Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 PolarHBondContact O-N 2.57Å |
| 499 | Q | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 175 | -73.6 | 177.6 | -76.6 | 0 | 0 | 111.1 | L339 L462 E465 M495 S496 L502 T503 | L339-Q499 HydrophobicContact CD1-CG 3.76Å; L339-Q499 HydrophobicContact CD2-CG 3.99Å; L462-Q499 HydrophobicContact CB-CG 4.46Å; L462-Q499 PolarHBondContact O-NE2 3.35Å; E465-Q499 PolarHBondContact OE2-NE2 3.23Å; M495-Q499 HydrophobicContact CB-CB 3.93Å; M495-Q499 HydrophobicContact CE-CB 3.65Å; M495-Q499 HydrophobicContact CG-CB 4.2Å; S496-Q499 PolarHBondContact O-N 3.3Å; S496-Q499 PolarHBondContact OG-N 3.17Å; S496-Q499 VanDerWaalsContact OG-N 3.17Å; Q499-L502 PolarHBondContact O-N 2.94Å; Q499-T503 WeakPolarHBondContact O-CB 3.45Å; Q499-T503 PolarHBondContact O-N 3.1Å; Q499-T503 PolarHBondContact O-OG1 3.03Å |
| 500 | R | 98.3 | Very high | 97.3 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 17% | 0.166 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 177.9 | -69.7 | 170.5 | -174.7 | 164.5 | 8 | 111.7 | W492 M495 S496 H497 V498 L504 I535 | W492-R500 HydrophobicContact CD2-CG 4.02Å; W492-R500 HydrophobicContact CE3-CG 3.95Å; W492-R500 HydrophobicContact CH2-CB 3.62Å; W492-R500 HydrophobicContact CH2-CG 3.72Å; W492-R500 HydrophobicContact CZ2-CB 4.03Å; W492-R500 HydrophobicContact CZ2-CG 3.8Å; W492-R500 HydrophobicContact CZ3-CB 3.91Å; W492-R500 HydrophobicContact CZ3-CG 3.8Å; W492-R500 PolarHBondContact O-NE 3.41Å; W492-R500 PolarHBondContact O-NH2 2.96Å; M495-R500 HydrophobicContact CB-CG 4.07Å; M495-R500 PolarHBondContact O-NE 3.29Å; M495-R500 PolarHBondContact O-NH2 2.96Å; S496-R500 WeakPolarHBondContact O-CG 3.46Å; S496-R500 PolarHBondContact O-N 2.97Å; H497-R500 PolarHBondContact O-N 3.43Å; V498-R500 VanDerWaalsContact C-N 3.34Å; V498-R500 PolarHBondContact O-N 2.7Å; R500-L504 WeakPolarHBondContact O-CG 3.31Å; R500-L504 PolarHBondContact O-N 3.14Å; R500-I535 HydrophobicContact CB-CD1 3.91Å; R500-I535 HydrophobicContact CB-CG1 4.4Å |
| 501 | E | 98.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -51 | 176.9 | -175.1 | -173.2 | 160.6 | 0 | 0 | 111.2 | L343 H497 V498 T503 L504 R505 E534 | L343-E501 HydrophobicContact CD1-CG 4.17Å; L343-E501 WeakPolarHBondContact CD2-OE2 3.42Å; H497-E501 PolarHBondContact O-N 2.96Å; V498-E501 PolarHBondContact O-N 3.17Å; E501-T503 VanDerWaalsContact C-N 3.33Å; E501-T503 PolarHBondContact O-N 2.71Å; E501-L504 PolarHBondContact O-N 2.63Å; E501-L504 VanDerWaalsContact O-N 3.15Å; E501-R505 WeakPolarHBondContact O-CG 3.31Å; E501-R505 PolarHBondContact O-N 2.73Å; E501-R505 IonicContact OE1-CZ 3.95Å; E501-R505 VanDerWaalsContact OE1-CZ 3.3Å; E501-R505 IonicContact OE1-NE 3.78Å; E501-R505 PolarHBondContact OE1-NE 2.91Å; E501-R505 IonicContact OE1-NH2 3.95Å; E501-R505 PolarHBondContact OE1-NH2 3.4Å; E501-E534 HydrophobicContact CG-CB 4.35Å |
| 502 | L | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | -179.4 | -177.8 | 59.7 | 0 | 0 | 0 | 111.3 | L343 K346 L463 V498 Q499 L504 R505 H506 | L343-L502 HydrophobicContact CD1-CB 4.42Å; L343-L502 HydrophobicContact CD1-CD1 4.27Å; K346-L502 HydrophobicContact CB-CD1 4.06Å; K346-L502 HydrophobicContact CG-CD1 4.15Å; L463-L502 HydrophobicContact CD2-CD2 3.7Å; V498-L502 VanDerWaalsContact O-CB 3.29Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 PolarHBondContact O-N 2.57Å; Q499-L502 PolarHBondContact O-N 2.94Å; L502-L504 PolarHBondContact O-N 3.07Å; L502-R505 PolarHBondContact O-N 3.24Å; L502-H506 WeakPolarHBondContact CD1-NE2 3.32Å; L502-H506 PolarHBondContact O-CD2 3.34Å; L502-H506 PolarHBondContact O-N 3.04Å |
| 503 | T | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.8 | -71.2 | 0 | 0 | 0 | 0 | 112.1 | C466 M469 Q470 L473 M495 Q499 E501 R505 H506 V507 | C466-T503 WeakPolarHBondContact CA-OG1 3.01Å; C466-T503 VanDerWaalsContact CB-OG1 3.31Å; C466-T503 WeakPolarHBondContact CB-OG1 3.4Å; C466-T503 PolarHBondContact O-OG1 3.03Å; M469-T503 HydrophobicContact CB-CG2 3.86Å; M469-T503 HydrophobicContact CG-CG2 3.59Å; Q470-T503 HydrophobicContact CB-CG2 4.34Å; L473-T503 HydrophobicContact CD1-CG2 3.82Å; M495-T503 VanDerWaalsContact CE-OG1 3.31Å; M495-T503 WeakPolarHBondContact CE-OG1 3.31Å; Q499-T503 WeakPolarHBondContact O-CB 3.45Å; Q499-T503 PolarHBondContact O-N 3.1Å; Q499-T503 PolarHBondContact O-OG1 3.03Å; E501-T503 VanDerWaalsContact C-N 3.33Å; E501-T503 PolarHBondContact O-N 2.71Å; T503-R505 VanDerWaalsContact C-N 3.3Å; T503-R505 PolarHBondContact O-N 3.35Å; T503-H506 WeakPolarHBondContact O-CB 3.35Å; T503-H506 PolarHBondContact O-N 3.04Å; T503-H506 VanDerWaalsContact O-N 3.1Å; T503-V507 HydrophobicContact CG2-CG2 4.49Å; T503-V507 WeakPolarHBondContact O-CG2 3.25Å; T503-V507 PolarHBondContact O-N 2.97Å |
| 504 | L | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | -178.4 | -68.2 | 179.8 | 0 | 0 | 0 | 111.8 | L473 W492 R500 E501 L502 H506 V507 V508 L527 I535 Q538 I542 | L473-L504 HydrophobicContact CD1-CD2 4.11Å; W492-L504 HydrophobicContact CH2-CD1 4.01Å; W492-L504 HydrophobicContact CH2-CG 4.27Å; W492-L504 HydrophobicContact CZ3-CD2 4.46Å; W492-L504 HydrophobicContact CZ3-CG 4.42Å; R500-L504 WeakPolarHBondContact O-CG 3.31Å; R500-L504 PolarHBondContact O-N 3.14Å; E501-L504 PolarHBondContact O-N 2.63Å; E501-L504 VanDerWaalsContact O-N 3.15Å; L502-L504 PolarHBondContact O-N 3.07Å; L504-H506 VanDerWaalsContact C-N 3.31Å; L504-H506 PolarHBondContact O-N 2.96Å; L504-V507 WeakPolarHBondContact O-CB 3.18Å; L504-V507 PolarHBondContact O-N 3.49Å; L504-V507 VanDerWaalsContact O-N 3.1Å; L504-V508 WeakPolarHBondContact O-CG2 3.4Å; L504-V508 PolarHBondContact O-N 3.2Å; L504-L527 HydrophobicContact CD2-CD1 4.35Å; L504-I535 HydrophobicContact CD1-CG2 3.75Å; L504-Q538 HydrophobicContact CB-CB 3.52Å; L504-Q538 HydrophobicContact CB-CG 4.1Å; L504-Q538 HydrophobicContact CD1-CB 4.14Å; L504-Q538 HydrophobicContact CG-CB 4.49Å; L504-I542 HydrophobicContact CB-CD1 4.22Å; L504-I542 HydrophobicContact CD2-CD1 3.78Å |
| 505 | R | 97.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | 171.5 | -72.2 | 179.6 | -179.2 | -97.9 | 7.3 | 112.7 | K346 E347 E350 E501 L502 T503 V507 V508 D509 Q538 | K346-R505 HydrophobicContact CG-CB 4.32Å; E347-R505 IonicContact OE1-CZ 2.93Å; E347-R505 IonicContact OE1-NH1 3.97Å; E347-R505 IonicContact OE1-NH2 3.05Å; E347-R505 PolarHBondContact OE1-NH2 3.05Å; E350-R505 IonicContact OE1-NH1 2.74Å; E350-R505 IonicContact OE2-CZ 3.52Å; E350-R505 IonicContact OE2-NH1 2.78Å; E350-R505 PolarHBondContact OE2-NH1 3.29Å; E501-R505 WeakPolarHBondContact O-CG 3.31Å; E501-R505 PolarHBondContact O-N 2.73Å; E501-R505 IonicContact OE1-CZ 3.95Å; E501-R505 VanDerWaalsContact OE1-CZ 3.3Å; E501-R505 IonicContact OE1-NE 3.78Å; E501-R505 PolarHBondContact OE1-NE 2.91Å; E501-R505 IonicContact OE1-NH2 3.95Å; E501-R505 PolarHBondContact OE1-NH2 3.4Å; L502-R505 PolarHBondContact O-N 3.24Å; T503-R505 VanDerWaalsContact C-N 3.3Å; T503-R505 PolarHBondContact O-N 3.35Å; R505-V507 VanDerWaalsContact C-N 3.33Å; R505-V508 WeakPolarHBondContact O-CB 3.38Å; R505-V508 PolarHBondContact O-N 3.22Å; R505-D509 PolarHBondContact O-N 3.46Å; R505-Q538 HydrophobicContact CG-CG 3.93Å |
| 506 | H | 97.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | 172.7 | -69.5 | -62.9 | 0 | 0 | 0 | 112.5 | Q470 L502 T503 L504 D509 S510 | Q470-H506 HydrophobicContact CG-CB 4.44Å; Q470-H506 PolarHBondContact NE2-O 2.87Å; L502-H506 WeakPolarHBondContact CD1-NE2 3.32Å; L502-H506 PolarHBondContact O-CD2 3.34Å; L502-H506 PolarHBondContact O-N 3.04Å; T503-H506 WeakPolarHBondContact O-CB 3.35Å; T503-H506 PolarHBondContact O-N 3.04Å; T503-H506 VanDerWaalsContact O-N 3.1Å; L504-H506 VanDerWaalsContact C-N 3.31Å; L504-H506 PolarHBondContact O-N 2.96Å; H506-D509 PolarHBondContact O-N 2.94Å; H506-S510 PolarHBondContact O-N 3.08Å; H506-S510 PolarHBondContact O-OG 2.95Å |
| 507 | V | 97.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68 | -37.3 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | Q470 L473 T503 L504 R505 D509 S510 L513 I542 | Q470-V507 HydrophobicContact CG-CG2 3.97Å; L473-V507 HydrophobicContact CB-CG2 4.16Å; L473-V507 HydrophobicContact CD1-CG2 3.92Å; T503-V507 HydrophobicContact CG2-CG2 4.49Å; T503-V507 WeakPolarHBondContact O-CG2 3.25Å; T503-V507 PolarHBondContact O-N 2.97Å; L504-V507 WeakPolarHBondContact O-CB 3.18Å; L504-V507 PolarHBondContact O-N 3.49Å; L504-V507 VanDerWaalsContact O-N 3.1Å; R505-V507 VanDerWaalsContact C-N 3.33Å; V507-D509 PolarHBondContact O-N 3.48Å; V507-S510 VanDerWaalsContact O-CB 3.29Å; V507-S510 WeakPolarHBondContact O-CB 3.26Å; V507-S510 PolarHBondContact O-N 2.79Å; V507-L513 HydrophobicContact CG1-CD1 3.99Å; V507-L513 HydrophobicContact CG1-CG 4.38Å; V507-I542 HydrophobicContact CB-CD1 3.87Å; V507-I542 HydrophobicContact CB-CG1 4.38Å; V507-I542 HydrophobicContact CG1-CD1 3.68Å; V507-I542 HydrophobicContact CG1-CG1 3.96Å; V507-I542 HydrophobicContact CG1-CG2 4.27Å |
| 508 | V | 96.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56 | -37.3 | 173.6 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | L504 R505 S510 Q538 L541 I542 I545 | L504-V508 WeakPolarHBondContact O-CG2 3.4Å; L504-V508 PolarHBondContact O-N 3.2Å; R505-V508 WeakPolarHBondContact O-CB 3.38Å; R505-V508 PolarHBondContact O-N 3.22Å; V508-S510 VanDerWaalsContact C-N 3.33Å; V508-Q538 HydrophobicContact CG2-CB 4.47Å; V508-L541 HydrophobicContact CG1-CB 4.42Å; V508-L541 HydrophobicContact CG2-CB 3.88Å; V508-I542 HydrophobicContact CG2-CD1 4.32Å; V508-I542 HydrophobicContact CG2-CG1 3.63Å; V508-I545 HydrophobicContact CG1-CD1 3.7Å; V508-I545 WeakPolarHBondContact O-CD1 3.48Å |
| 509 | D | 94.3 | Very high | 95.5 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.4 | 177 | -84.7 | -20.2 | 0 | 0 | 0 | 114.4 | K346 K353 R505 H506 V507 | K346-D509 IonicContact NZ-OD2 3.37Å; K346-D509 PolarHBondContact NZ-OD2 3.06Å; K353-D509 IonicContact NZ-OD1 3.95Å; R505-D509 PolarHBondContact O-N 3.46Å; H506-D509 PolarHBondContact O-N 2.94Å; V507-D509 PolarHBondContact O-N 3.48Å |
| 510 | S | 94.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.1 | 174.8 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | Q470 H506 V507 V508 | Q470-S510 PolarHBondContact NE2-OG 3.38Å; H506-S510 PolarHBondContact O-N 3.08Å; H506-S510 PolarHBondContact O-OG 2.95Å; V507-S510 VanDerWaalsContact O-CB 3.29Å; V507-S510 WeakPolarHBondContact O-CB 3.26Å; V507-S510 PolarHBondContact O-N 2.79Å; V508-S510 VanDerWaalsContact C-N 3.33Å |
| 511 | E | 93.4 | Very high | 95.3 | Very high | 169 Ų | 169 | 40.5 Ų | 40.5 | 79% | 0.79 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -55.3 | 143.9 | 168.9 | -74.3 | -88.6 | 155.5 | 0 | 0 | 110.9 | L513 | E511-L513 PolarHBondContact O-N 3.12Š|
| 512 | P | 95.6 | Very high | 95.2 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -50.8 | 133.5 | 174.5 | -28.5 | 35.7 | 0 | 0 | 0 | 113.1 | I545 | P512-I545 HydrophobicContact CG-CG2 4.15Š|
| 513 | L | 94.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 145.7 | 179.5 | -59.7 | -174.2 | 0 | 0 | 0 | 110.7 | T474 V507 E511 L518 I521 I542 S546 | T474-L513 HydrophobicContact CG2-CD2 3.91Å; V507-L513 HydrophobicContact CG1-CD1 3.99Å; V507-L513 HydrophobicContact CG1-CG 4.38Å; E511-L513 PolarHBondContact O-N 3.12Å; L513-L518 HydrophobicContact CB-CD2 3.87Å; L513-L518 HydrophobicContact CB-CG 3.97Å; L513-L518 HydrophobicContact CD1-CD2 3.89Å; L513-L518 HydrophobicContact CG-CD2 4.41Å; L513-I521 HydrophobicContact CD1-CD1 3.98Å; L513-I542 HydrophobicContact CD1-CG2 3.88Å; L513-I542 HydrophobicContact CG-CG2 4.35Å; L513-S546 PolarHBondContact N-OG 3.39Å; L513-S546 WeakPolarHBondContact O-CB 3.21Å |
| 514 | N | 91.5 | Very high | 95 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -68 | 150.6 | 173.2 | 78.7 | 55.2 | 0 | 0 | 0 | 111.3 | N516 N517 L518 | N514-N516 VanDerWaalsContact C-N 3.32Å; N514-N516 PolarHBondContact O-N 3.03Å; N514-N516 PolarHBondContact OD1-N 2.64Å; N514-N516 VanDerWaalsContact OD1-N 3.17Å; N514-N517 PolarHBondContact ND2-ND2 3.21Å; N514-N517 WeakPolarHBondContact O-CB 3.26Å; N514-N517 PolarHBondContact O-N 3.21Å; N514-N517 WeakPolarHBondContact OD1-CB 3.33Å; N514-N517 PolarHBondContact OD1-N 2.8Å; N514-L518 PolarHBondContact O-N 2.89Å; N514-L518 VanDerWaalsContact O-N 3.1Å |
| 515 | V | 90.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | -175.3 | 171.4 | 0 | 0 | 0 | 0 | 113.1 | N517 L518 C519 | V515-N517 VanDerWaalsContact C-N 3.33Å; V515-N517 PolarHBondContact O-N 3.05Å; V515-L518 PolarHBondContact O-N 2.8Å; V515-C519 PolarHBondContact O-N 3.25Å; V515-C519 PolarHBondContact O-SG 3.22Å; V515-C519 VanDerWaalsContact O-SG 3.33Å |
| 516 | N | 90.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 62% | 0.62 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | -179.1 | -68.5 | -27.8 | 0 | 0 | 0 | 111.4 | C479 N514 C519 K520 | C479-N516 PolarHBondContact SG-O 3.09Å; N514-N516 VanDerWaalsContact C-N 3.32Å; N514-N516 PolarHBondContact O-N 3.03Å; N514-N516 PolarHBondContact OD1-N 2.64Å; N514-N516 VanDerWaalsContact OD1-N 3.17Å; N516-C519 PolarHBondContact O-N 3.43Å; N516-K520 WeakPolarHBondContact O-CB 3.41Å; N516-K520 PolarHBondContact O-N 3.13Å |
| 517 | N | 92.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.8 | -77.5 | 2.6 | 0 | 0 | 0 | 111.2 | S475 C479 N514 V515 C519 K520 I521 | S475-N517 PolarHBondContact O-ND2 2.88Å; C479-N517 PolarHBondContact SG-OD1 2.86Å; N514-N517 PolarHBondContact ND2-ND2 3.21Å; N514-N517 WeakPolarHBondContact O-CB 3.26Å; N514-N517 PolarHBondContact O-N 3.21Å; N514-N517 WeakPolarHBondContact OD1-CB 3.33Å; N514-N517 PolarHBondContact OD1-N 2.8Å; V515-N517 VanDerWaalsContact C-N 3.33Å; V515-N517 PolarHBondContact O-N 3.05Å; N517-C519 PolarHBondContact O-N 3.07Å; N517-K520 PolarHBondContact O-N 2.87Å; N517-I521 WeakPolarHBondContact O-CB 3.29Å; N517-I521 WeakPolarHBondContact O-CD1 3.05Å; N517-I521 WeakPolarHBondContact O-CG1 3.27Å; N517-I521 PolarHBondContact O-N 3.12Å |
| 518 | L | 95.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 176.8 | -68.9 | 168.3 | 0 | 0 | 0 | 111.5 | L513 N514 V515 K520 I521 D522 W539 I542 H548 | L513-L518 HydrophobicContact CB-CD2 3.87Å; L513-L518 HydrophobicContact CB-CG 3.97Å; L513-L518 HydrophobicContact CD1-CD2 3.89Å; L513-L518 HydrophobicContact CG-CD2 4.41Å; N514-L518 PolarHBondContact O-N 2.89Å; N514-L518 VanDerWaalsContact O-N 3.1Å; V515-L518 PolarHBondContact O-N 2.8Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 3.12Å; L518-I521 PolarHBondContact O-N 2.99Å; L518-D522 PolarHBondContact O-N 3.49Å; L518-W539 HydrophobicContact CB-CH2 4.23Å; L518-W539 HydrophobicContact CD2-CH2 3.59Å; L518-W539 HydrophobicContact CD2-CZ2 4.39Å; L518-W539 HydrophobicContact CD2-CZ3 3.92Å; L518-I542 HydrophobicContact CD2-CG2 3.76Å; L518-H548 HydrophobicContact CD1-CB 3.64Å |
| 519 | C | 94.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -42 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | V515 N516 N517 D522 E523 | V515-C519 PolarHBondContact O-N 3.25Å; V515-C519 PolarHBondContact O-SG 3.22Å; V515-C519 VanDerWaalsContact O-SG 3.33Å; N516-C519 PolarHBondContact O-N 3.43Å; N517-C519 PolarHBondContact O-N 3.07Å; C519-D522 PolarHBondContact O-N 2.87Å; C519-E523 WeakPolarHBondContact O-CB 3.32Å; C519-E523 PolarHBondContact O-N 3.33Å |
| 520 | K | 94.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 179.8 | -174.7 | 55.8 | 62.6 | -167.6 | 0 | 112.3 | M485 N516 N517 L518 E523 L524 | M485-K520 HydrophobicContact CE-CD 4.36Å; M485-K520 HydrophobicContact CE-CG 4.49Å; M485-K520 HydrophobicContact SD-CD 4.19Å; N516-K520 WeakPolarHBondContact O-CB 3.41Å; N516-K520 PolarHBondContact O-N 3.13Å; N517-K520 PolarHBondContact O-N 2.87Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 3.12Å; K520-E523 VanDerWaalsContact NZ-CD 3.27Å; K520-E523 IonicContact NZ-OE1 3.16Å; K520-E523 PolarHBondContact NZ-OE1 2.79Å; K520-E523 VanDerWaalsContact NZ-OE1 3.16Å; K520-E523 IonicContact NZ-OE2 2.69Å; K520-E523 PolarHBondContact NZ-OE2 3.37Å; K520-E523 PolarHBondContact O-N 2.95Å; K520-L524 HydrophobicContact CD-CD1 4.25Å; K520-L524 HydrophobicContact CD-CG 4.29Å; K520-L524 HydrophobicContact CG-CD1 4.18Å; K520-L524 VanDerWaalsContact O-CG 3.26Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.36Å; K520-L524 VanDerWaalsContact O-N 3.07Å |
| 521 | I | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.1 | -70 | 163.8 | 0 | 0 | 0 | 109.6 | L473 L478 L513 N517 L518 E523 L524 L525 L527 W539 | L473-I521 HydrophobicContact CB-CD1 4.43Å; L473-I521 HydrophobicContact CD2-CD1 3.81Å; L473-I521 HydrophobicContact CD2-CG1 3.93Å; L473-I521 HydrophobicContact CD2-CG2 3.79Å; L478-I521 HydrophobicContact CD2-CD1 4.1Å; L478-I521 HydrophobicContact CD2-CG1 3.58Å; L513-I521 HydrophobicContact CD1-CD1 3.98Å; N517-I521 WeakPolarHBondContact O-CB 3.29Å; N517-I521 WeakPolarHBondContact O-CD1 3.05Å; N517-I521 WeakPolarHBondContact O-CG1 3.27Å; N517-I521 PolarHBondContact O-N 3.12Å; L518-I521 PolarHBondContact O-N 2.99Å; I521-E523 PolarHBondContact O-N 2.89Å; I521-L524 PolarHBondContact O-N 2.85Å; I521-L525 HydrophobicContact CG2-CD1 4.16Å; I521-L525 WeakPolarHBondContact O-CB 3.43Å; I521-L525 PolarHBondContact O-N 3.09Å; I521-L527 HydrophobicContact CG2-CD1 3.77Å; I521-W539 HydrophobicContact CB-CH2 4.12Å; I521-W539 HydrophobicContact CB-CZ3 4.41Å; I521-W539 HydrophobicContact CG2-CH2 3.92Å; I521-W539 HydrophobicContact CG2-CZ3 3.81Å |
| 522 | D | 97.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 179.9 | -161.5 | 45.5 | 0 | 0 | 0 | 112.7 | L518 C519 L524 Q526 L527 S528 W539 | L518-D522 PolarHBondContact O-N 3.49Å; C519-D522 PolarHBondContact O-N 2.87Å; D522-L524 VanDerWaalsContact C-N 3.33Å; D522-L524 PolarHBondContact O-N 2.94Å; D522-Q526 WeakPolarHBondContact O-CA 3.29Å; D522-Q526 PolarHBondContact O-N 3.29Å; D522-Q526 PolarHBondContact O-NE2 3.32Å; D522-L527 WeakPolarHBondContact OD1-CA 3.49Å; D522-L527 PolarHBondContact OD1-N 2.94Å; D522-S528 VanDerWaalsContact CG-OG 3.27Å; D522-S528 WeakPolarHBondContact OD1-CB 3.45Å; D522-S528 PolarHBondContact OD1-N 3.3Å; D522-S528 PolarHBondContact OD1-OG 2.99Å; D522-S528 VanDerWaalsContact OD1-OG 3.13Å; D522-S528 VanDerWaalsContact OD2-CB 3.3Å; D522-S528 WeakPolarHBondContact OD2-CB 3.5Å; D522-S528 PolarHBondContact OD2-OG 2.75Å; D522-W539 HydrophobicContact CB-CZ2 3.81Å |
| 523 | E | 95.6 | Very high | 95.3 | Very high | 116 Ų | 116 | 49 Ų | 49 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 171.6 | -176.6 | -170.1 | 142 | 0 | 0 | 111.4 | C519 K520 I521 Q526 | C519-E523 WeakPolarHBondContact O-CB 3.32Å; C519-E523 PolarHBondContact O-N 3.33Å; K520-E523 VanDerWaalsContact NZ-CD 3.27Å; K520-E523 IonicContact NZ-OE1 3.16Å; K520-E523 PolarHBondContact NZ-OE1 2.79Å; K520-E523 VanDerWaalsContact NZ-OE1 3.16Å; K520-E523 IonicContact NZ-OE2 2.69Å; K520-E523 PolarHBondContact NZ-OE2 3.37Å; K520-E523 PolarHBondContact O-N 2.95Å; I521-E523 PolarHBondContact O-N 2.89Å; E523-Q526 PolarHBondContact O-NE2 3Å |
| 524 | L | 96.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 48.8 Ų | 48.8 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -75.3 | -37.1 | -176.2 | -68.7 | 173.6 | 0 | 0 | 0 | 113.6 | M485 K520 I521 D522 | M485-L524 HydrophobicContact CB-CD1 4.02Å; M485-L524 HydrophobicContact CG-CD1 4.18Å; K520-L524 HydrophobicContact CD-CD1 4.25Å; K520-L524 HydrophobicContact CD-CG 4.29Å; K520-L524 HydrophobicContact CG-CD1 4.18Å; K520-L524 VanDerWaalsContact O-CG 3.26Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.36Å; K520-L524 VanDerWaalsContact O-N 3.07Å; I521-L524 PolarHBondContact O-N 2.85Å; D522-L524 VanDerWaalsContact C-N 3.33Å; D522-L524 PolarHBondContact O-N 2.94Å |
| 525 | L | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -113.7 | -11.8 | -168.7 | -60.5 | -170.9 | 0 | 0 | 0 | 114.2 | L473 L488 W492 I521 L527 Q530 | L473-L525 HydrophobicContact CD2-CD1 4.4Å; L488-L525 HydrophobicContact CD2-CD1 3.77Å; L488-L525 HydrophobicContact CD2-CD2 3.74Å; L488-L525 HydrophobicContact CD2-CG 3.83Å; W492-L525 HydrophobicContact CB-CD2 3.79Å; W492-L525 HydrophobicContact CD2-CD1 3.7Å; W492-L525 HydrophobicContact CD2-CD2 4.09Å; W492-L525 HydrophobicContact CD2-CG 4.45Å; W492-L525 HydrophobicContact CE3-CD1 3.78Å; W492-L525 HydrophobicContact CG-CD1 4.05Å; W492-L525 HydrophobicContact CG-CD2 3.55Å; W492-L525 HydrophobicContact CG-CG 4.39Å; W492-L525 HydrophobicContact CZ3-CD1 4.26Å; I521-L525 HydrophobicContact CG2-CD1 4.16Å; I521-L525 WeakPolarHBondContact O-CB 3.43Å; I521-L525 PolarHBondContact O-N 3.09Å; L525-L527 VanDerWaalsContact C-N 3.29Å; L525-L527 HydrophobicContact CB-CD1 4.4Å; L525-L527 HydrophobicContact CB-CD2 4.08Å; L525-L527 HydrophobicContact CB-CG 3.81Å; L525-L527 HydrophobicContact CD1-CD1 4.3Å; L525-L527 HydrophobicContact CD1-CG 4.49Å; L525-L527 PolarHBondContact O-N 2.82Å; L525-Q530 PolarHBondContact O-NE2 3.09Å |
| 526 | Q | 96.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | trans | 52.8 | 44.3 | -179 | -57.3 | -68.6 | -57.4 | 0 | 0 | 112.3 | D522 E523 S528 K529 Q530 | D522-Q526 WeakPolarHBondContact O-CA 3.29Å; D522-Q526 PolarHBondContact O-N 3.29Å; D522-Q526 PolarHBondContact O-NE2 3.32Å; E523-Q526 PolarHBondContact O-NE2 3Å; Q526-S528 VanDerWaalsContact C-N 3.34Å; Q526-S528 PolarHBondContact O-N 2.89Å; Q526-K529 PolarHBondContact O-N 3.36Å; Q526-Q530 WeakPolarHBondContact O-CG 3.33Å; Q526-Q530 PolarHBondContact O-N 3.5Å; Q526-Q530 PolarHBondContact O-NE2 3.47Å | ||
| 527 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -66.3 | -34.3 | -174.8 | -67 | 179.6 | 0 | 0 | 0 | 112.6 | W492 L504 I521 D522 L525 K529 Q530 I535 W539 | W492-L527 HydrophobicContact CH2-CD2 3.76Å; W492-L527 HydrophobicContact CZ2-CD2 3.53Å; L504-L527 HydrophobicContact CD2-CD1 4.35Å; I521-L527 HydrophobicContact CG2-CD1 3.77Å; D522-L527 WeakPolarHBondContact OD1-CA 3.49Å; D522-L527 PolarHBondContact OD1-N 2.94Å; L525-L527 VanDerWaalsContact C-N 3.29Å; L525-L527 HydrophobicContact CB-CD1 4.4Å; L525-L527 HydrophobicContact CB-CD2 4.08Å; L525-L527 HydrophobicContact CB-CG 3.81Å; L525-L527 HydrophobicContact CD1-CD1 4.3Å; L525-L527 HydrophobicContact CD1-CG 4.49Å; L525-L527 PolarHBondContact O-N 2.82Å; L527-K529 PolarHBondContact O-N 3.25Å; L527-Q530 HydrophobicContact CD2-CG 4.04Å; L527-Q530 WeakPolarHBondContact O-CG 3.46Å; L527-Q530 PolarHBondContact O-N 2.91Å; L527-I535 HydrophobicContact CD2-CG2 3.97Å; L527-W539 HydrophobicContact CB-CB 3.91Å; L527-W539 HydrophobicContact CB-CD2 3.54Å; L527-W539 HydrophobicContact CB-CE3 4.13Å; L527-W539 HydrophobicContact CB-CG 3.4Å; L527-W539 HydrophobicContact CD1-CD2 3.73Å; L527-W539 HydrophobicContact CD1-CE3 3.37Å; L527-W539 HydrophobicContact CD1-CG 4.23Å; L527-W539 HydrophobicContact CD1-CZ3 3.81Å; L527-W539 HydrophobicContact CG-CD2 4.29Å; L527-W539 HydrophobicContact CG-CE3 4.39Å; L527-W539 HydrophobicContact CG-CG 4.44Å |
| 528 | S | 96.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61.9 | -22.8 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | D522 Q526 R536 | D522-S528 VanDerWaalsContact CG-OG 3.27Å; D522-S528 WeakPolarHBondContact OD1-CB 3.45Å; D522-S528 PolarHBondContact OD1-N 3.3Å; D522-S528 PolarHBondContact OD1-OG 2.99Å; D522-S528 VanDerWaalsContact OD1-OG 3.13Å; D522-S528 VanDerWaalsContact OD2-CB 3.3Å; D522-S528 WeakPolarHBondContact OD2-CB 3.5Å; D522-S528 PolarHBondContact OD2-OG 2.75Å; Q526-S528 VanDerWaalsContact C-N 3.34Å; Q526-S528 PolarHBondContact O-N 2.89Å; S528-R536 PolarHBondContact O-NE 2.89Å; S528-R536 PolarHBondContact O-NH2 2.92Å |
| 529 | K | 95.9 | Very high | 96.9 | Very high | 147 Ų | 147 | 38.6 Ų | 38.6 | 64% | 0.639 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -113.1 | 11.7 | -178 | -62 | 176.5 | -172.9 | 162.7 | 0 | 113.5 | Q526 L527 | Q526-K529 PolarHBondContact O-N 3.36Å; L527-K529 PolarHBondContact O-N 3.25Å |
| 530 | Q | 96.2 | Very high | 97.1 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.192 | 17% | 0.165 | C | C | . | . | trans | -61.9 | 140.7 | -179.8 | -71.8 | -68.4 | -38.4 | 0 | 0 | 111.1 | L525 Q526 L527 I535 R536 | L525-Q530 PolarHBondContact O-NE2 3.09Å; Q526-Q530 WeakPolarHBondContact O-CG 3.33Å; Q526-Q530 PolarHBondContact O-N 3.5Å; Q526-Q530 PolarHBondContact O-NE2 3.47Å; L527-Q530 HydrophobicContact CD2-CG 4.04Å; L527-Q530 WeakPolarHBondContact O-CG 3.46Å; L527-Q530 PolarHBondContact O-N 2.91Å; Q530-I535 HydrophobicContact CB-CG2 4.32Å; Q530-I535 HydrophobicContact CG-CG2 4Å; Q530-R536 HydrophobicContact CB-CB 4.27Å; Q530-R536 WeakPolarHBondContact O-CD 3.18Å | ||
| 531 | K | 95.9 | Very high | 97.3 | Very high | 155 Ų | 155 | 34.3 Ų | 34.3 | 67% | 0.674 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -90 | -26.6 | 175.9 | -67.2 | -176.5 | 179.9 | 177.4 | 0 | 112.6 | A283 A533 | A283-K531 WeakPolarHBondContact O-CB 3.39Å; A283-K531 WeakPolarHBondContact O-CD 3.36Å; K531-A533 PolarHBondContact O-N 2.93Å; K531-A533 VanDerWaalsContact O-N 3.11Å |
| 532 | N | 97.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -67.4 | 109.9 | 168.5 | -179.1 | -47.7 | 0 | 0 | 0 | 108.6 | A283 S287 E534 I535 R536 | A283-N532 HydrophobicContact CB-CB 4.32Å; S287-N532 WeakPolarHBondContact CB-ND2 3.39Å; S287-N532 PolarHBondContact OG-ND2 2.88Å; N532-E534 VanDerWaalsContact C-N 3.32Å; N532-E534 PolarHBondContact O-N 3.07Å; N532-E534 WeakPolarHBondContact OD1-CA 3.07Å; N532-E534 WeakPolarHBondContact OD1-CB 3.4Å; N532-E534 PolarHBondContact OD1-N 3.07Å; N532-I535 HydrophobicContact CB-CB 4.29Å; N532-I535 HydrophobicContact CB-CD1 4.1Å; N532-I535 HydrophobicContact CB-CG1 4.26Å; N532-I535 PolarHBondContact O-N 3.02Å; N532-I535 PolarHBondContact OD1-N 3.14Å; N532-R536 PolarHBondContact O-N 2.94Å | ||
| 533 | A | 97.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.4 | -29.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L288 K531 R536 V537 F558 Y567 | L288-A533 HydrophobicContact CD1-CB 4.43Å; K531-A533 PolarHBondContact O-N 2.93Å; K531-A533 VanDerWaalsContact O-N 3.11Å; A533-R536 PolarHBondContact O-N 2.78Å; A533-V537 WeakPolarHBondContact O-CB 3.25Å; A533-V537 WeakPolarHBondContact O-CG1 3.01Å; A533-V537 PolarHBondContact O-N 2.87Å; A533-F558 HydrophobicContact CB-CE2 4.3Å; A533-F558 HydrophobicContact CB-CZ 4.11Å; A533-Y567 HydrophobicContact CB-CD2 4.23Å; A533-Y567 HydrophobicContact CB-CE2 3.4Å; A533-Y567 WeakPolarHBondContact CB-OH 3.45Å |
| 534 | E | 97.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.9 | -36.2 | 175.1 | -60.9 | -69 | 175.4 | 0 | 0 | 111.1 | L288 E501 N532 V537 Q538 R564 K566 Y567 | L288-E534 HydrophobicContact CD2-CB 4.09Å; L288-E534 HydrophobicContact CD2-CG 3.46Å; L288-E534 VanDerWaalsContact CD2-CG 3.46Å; E501-E534 HydrophobicContact CG-CB 4.35Å; N532-E534 VanDerWaalsContact C-N 3.32Å; N532-E534 PolarHBondContact O-N 3.07Å; N532-E534 WeakPolarHBondContact OD1-CA 3.07Å; N532-E534 WeakPolarHBondContact OD1-CB 3.4Å; N532-E534 PolarHBondContact OD1-N 3.07Å; E534-V537 VanDerWaalsContact O-CG1 3.26Å; E534-V537 WeakPolarHBondContact O-CG1 3.08Å; E534-Q538 WeakPolarHBondContact O-CG 3.3Å; E534-R564 IonicContact OE1-CZ 3.86Å; E534-R564 IonicContact OE1-NH1 2.63Å; E534-R564 PolarHBondContact OE1-NH1 3.07Å; E534-R564 IonicContact OE1-NH2 2.64Å; E534-K566 IonicContact OE1-NZ 3.28Å; E534-K566 PolarHBondContact OE1-NZ 3.05Å; E534-K566 WeakPolarHBondContact OE2-CE 3.37Å; E534-K566 IonicContact OE2-NZ 2.77Å; E534-K566 PolarHBondContact OE2-NZ 2.99Å; E534-Y567 WeakPolarHBondContact CG-OH 3.36Å; E534-Y567 PolarHBondContact OE1-OH 2.86Å |
| 535 | I | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.5 | -46.1 | 172.1 | -66.9 | 177.1 | 0 | 0 | 0 | 110.6 | W492 R500 L504 L527 Q530 N532 V537 Q538 W539 | W492-I535 HydrophobicContact CH2-CG2 4.33Å; W492-I535 HydrophobicContact CZ2-CG2 4.32Å; R500-I535 HydrophobicContact CB-CD1 3.91Å; R500-I535 HydrophobicContact CB-CG1 4.4Å; L504-I535 HydrophobicContact CD1-CG2 3.75Å; L527-I535 HydrophobicContact CD2-CG2 3.97Å; Q530-I535 HydrophobicContact CB-CG2 4.32Å; Q530-I535 HydrophobicContact CG-CG2 4Å; N532-I535 HydrophobicContact CB-CB 4.29Å; N532-I535 HydrophobicContact CB-CD1 4.1Å; N532-I535 HydrophobicContact CB-CG1 4.26Å; N532-I535 PolarHBondContact O-N 3.02Å; N532-I535 PolarHBondContact OD1-N 3.14Å; I535-V537 PolarHBondContact O-N 3.04Å; I535-Q538 PolarHBondContact O-N 2.82Å; I535-W539 PolarHBondContact O-N 3.31Å; I535-W539 VanDerWaalsContact O-N 3.14Å |
| 536 | R | 98 | Very high | 97.4 | Very high | 25 Ų | 25 | 29 Ų | 29 | 9% | 0.094 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | -175.4 | -172.6 | 164.9 | -177.7 | -170.7 | -0.1 | 112.7 | S528 Q530 N532 A533 W539 C540 H554 E557 F558 | S528-R536 PolarHBondContact O-NE 2.89Å; S528-R536 PolarHBondContact O-NH2 2.92Å; Q530-R536 HydrophobicContact CB-CB 4.27Å; Q530-R536 WeakPolarHBondContact O-CD 3.18Å; N532-R536 PolarHBondContact O-N 2.94Å; A533-R536 PolarHBondContact O-N 2.78Å; R536-W539 PolarHBondContact O-N 2.75Å; R536-C540 PolarHBondContact O-N 3.18Å; R536-C540 PolarHBondContact O-SG 3.49Å; R536-H554 PolarHBondContact NH2-O 2.93Å; R536-E557 IonicContact CZ-OE2 2.87Å; R536-E557 IonicContact NH1-OE2 3.05Å; R536-E557 IonicContact NH2-OE1 3.28Å; R536-E557 IonicContact NH2-OE2 3.88Å; R536-E557 PolarHBondContact NH2-OE2 2.89Å; R536-F558 HydrophobicContact CB-CE2 4.47Å; R536-F558 HydrophobicContact CB-CZ 4.42Å; R536-F558 HydrophobicContact CG-CD1 4.3Å; R536-F558 HydrophobicContact CG-CD2 4.11Å; R536-F558 HydrophobicContact CG-CE1 4.45Å; R536-F558 HydrophobicContact CG-CE2 4.26Å; R536-F558 HydrophobicContact CG-CG 4.13Å; R536-F558 HydrophobicContact CG-CZ 4.43Å |
| 537 | V | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | A533 E534 I535 W539 C540 L541 F558 Y567 I571 | A533-V537 WeakPolarHBondContact O-CB 3.25Å; A533-V537 WeakPolarHBondContact O-CG1 3.01Å; A533-V537 PolarHBondContact O-N 2.87Å; E534-V537 VanDerWaalsContact O-CG1 3.26Å; E534-V537 WeakPolarHBondContact O-CG1 3.08Å; I535-V537 PolarHBondContact O-N 3.04Å; V537-W539 VanDerWaalsContact C-N 3.34Å; V537-W539 PolarHBondContact O-N 2.8Å; V537-C540 WeakPolarHBondContact O-CB 3.43Å; V537-C540 PolarHBondContact O-N 3.21Å; V537-L541 WeakPolarHBondContact O-CG 3.37Å; V537-L541 PolarHBondContact O-N 3.4Å; V537-F558 HydrophobicContact CB-CE1 4.2Å; V537-Y567 HydrophobicContact CB-CD1 3.84Å; V537-Y567 HydrophobicContact CB-CE1 4.39Å; V537-Y567 HydrophobicContact CB-CG 4.41Å; V537-Y567 HydrophobicContact CG1-CD1 3.8Å; V537-Y567 HydrophobicContact CG1-CE1 3.93Å; V537-Y567 HydrophobicContact CG2-CD1 3.98Å; V537-Y567 HydrophobicContact CG2-CG 4.49Å; V537-I571 HydrophobicContact CG2-CD1 4.07Å; V537-I571 HydrophobicContact CG2-CG1 4.02Å |
| 538 | Q | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.9 | -55.2 | -48 | -38.5 | 0 | 0 | 111.3 | L504 R505 V508 E534 I535 C540 L541 I542 | L504-Q538 HydrophobicContact CB-CB 3.52Å; L504-Q538 HydrophobicContact CB-CG 4.1Å; L504-Q538 HydrophobicContact CD1-CB 4.14Å; L504-Q538 HydrophobicContact CG-CB 4.49Å; R505-Q538 HydrophobicContact CG-CG 3.93Å; V508-Q538 HydrophobicContact CG2-CB 4.47Å; E534-Q538 WeakPolarHBondContact O-CG 3.3Å; I535-Q538 PolarHBondContact O-N 2.82Å; Q538-C540 VanDerWaalsContact C-N 3.34Å; Q538-C540 PolarHBondContact O-N 3.21Å; Q538-L541 PolarHBondContact O-N 3.11Å; Q538-I542 VanDerWaalsContact O-CG1 3.29Å; Q538-I542 WeakPolarHBondContact O-CG1 3.42Å; Q538-I542 PolarHBondContact O-N 2.85Å |
| 539 | W | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.2 | -179.8 | -116 | 0 | 0 | 0 | 112.5 | L518 I521 D522 L527 I535 R536 V537 L541 I542 C543 H554 | L518-W539 HydrophobicContact CB-CH2 4.23Å; L518-W539 HydrophobicContact CD2-CH2 3.59Å; L518-W539 HydrophobicContact CD2-CZ2 4.39Å; L518-W539 HydrophobicContact CD2-CZ3 3.92Å; I521-W539 HydrophobicContact CB-CH2 4.12Å; I521-W539 HydrophobicContact CB-CZ3 4.41Å; I521-W539 HydrophobicContact CG2-CH2 3.92Å; I521-W539 HydrophobicContact CG2-CZ3 3.81Å; D522-W539 HydrophobicContact CB-CZ2 3.81Å; L527-W539 HydrophobicContact CB-CB 3.91Å; L527-W539 HydrophobicContact CB-CD2 3.54Å; L527-W539 HydrophobicContact CB-CE3 4.13Å; L527-W539 HydrophobicContact CB-CG 3.4Å; L527-W539 HydrophobicContact CD1-CD2 3.73Å; L527-W539 HydrophobicContact CD1-CE3 3.37Å; L527-W539 HydrophobicContact CD1-CG 4.23Å; L527-W539 HydrophobicContact CD1-CZ3 3.81Å; L527-W539 HydrophobicContact CG-CD2 4.29Å; L527-W539 HydrophobicContact CG-CE3 4.39Å; L527-W539 HydrophobicContact CG-CG 4.44Å; I535-W539 PolarHBondContact O-N 3.31Å; I535-W539 VanDerWaalsContact O-N 3.14Å; R536-W539 PolarHBondContact O-N 2.75Å; V537-W539 VanDerWaalsContact C-N 3.34Å; V537-W539 PolarHBondContact O-N 2.8Å; W539-L541 VanDerWaalsContact C-N 3.31Å; W539-L541 PolarHBondContact O-N 2.96Å; W539-I542 HydrophobicContact CE3-CB 4.36Å; W539-I542 HydrophobicContact CE3-CD1 4.32Å; W539-I542 HydrophobicContact CE3-CG2 4.33Å; W539-I542 HydrophobicContact CZ3-CG2 4.16Å; W539-I542 PolarHBondContact O-N 2.75Å; W539-C543 VanDerWaalsContact CE2-SG 3.51Å; W539-C543 PolarHBondContact O-N 3.28Å; W539-H554 AromaticContact CD1-CE1 3.7Å; W539-H554 AromaticContact NE1-CE1 3.75Å; W539-H554 AromaticContact NE1-NE2 3.71Å |
| 540 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 174.1 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | R536 V537 Q538 C543 I544 I555 I571 | R536-C540 PolarHBondContact O-N 3.18Å; R536-C540 PolarHBondContact O-SG 3.49Å; V537-C540 WeakPolarHBondContact O-CB 3.43Å; V537-C540 PolarHBondContact O-N 3.21Å; Q538-C540 VanDerWaalsContact C-N 3.34Å; Q538-C540 PolarHBondContact O-N 3.21Å; C540-C543 PolarHBondContact O-N 2.91Å; C540-I544 WeakPolarHBondContact O-CD1 3.17Å; C540-I544 WeakPolarHBondContact O-CG1 3.48Å; C540-I544 PolarHBondContact O-N 2.89Å; C540-I555 HydrophobicContact CB-CG1 4.02Å; C540-I555 HydrophobicContact CB-CG2 4.45Å; C540-I571 HydrophobicContact CB-CD1 4.01Å; C540-I571 HydrophobicContact CB-CG1 4.35Å |
| 541 | L | 98.2 | Very high | 97.1 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 178 | -68.4 | 174.5 | 0 | 0 | 0 | 112.8 | V508 V537 Q538 W539 C543 I544 I545 T570 A574 | V508-L541 HydrophobicContact CG1-CB 4.42Å; V508-L541 HydrophobicContact CG2-CB 3.88Å; V537-L541 WeakPolarHBondContact O-CG 3.37Å; V537-L541 PolarHBondContact O-N 3.4Å; Q538-L541 PolarHBondContact O-N 3.11Å; W539-L541 VanDerWaalsContact C-N 3.31Å; W539-L541 PolarHBondContact O-N 2.96Å; L541-C543 VanDerWaalsContact C-N 3.32Å; L541-C543 PolarHBondContact O-N 2.73Å; L541-I544 PolarHBondContact O-N 3.46Å; L541-I545 WeakPolarHBondContact O-CB 3.43Å; L541-I545 VanDerWaalsContact O-CG1 3.32Å; L541-I545 WeakPolarHBondContact O-CG1 3.42Å; L541-I545 PolarHBondContact O-N 3.07Å; L541-T570 HydrophobicContact CD1-CG2 3.87Å; L541-T570 HydrophobicContact CD2-CG2 4.08Å; L541-T570 HydrophobicContact CG-CG2 4.47Å; L541-A574 HydrophobicContact CD2-CB 3.61Å |
| 542 | I | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 176 | -68 | 164.3 | 0 | 0 | 0 | 110.5 | L504 V507 V508 L513 L518 Q538 W539 I544 S546 | L504-I542 HydrophobicContact CB-CD1 4.22Å; L504-I542 HydrophobicContact CD2-CD1 3.78Å; V507-I542 HydrophobicContact CB-CD1 3.87Å; V507-I542 HydrophobicContact CB-CG1 4.38Å; V507-I542 HydrophobicContact CG1-CD1 3.68Å; V507-I542 HydrophobicContact CG1-CG1 3.96Å; V507-I542 HydrophobicContact CG1-CG2 4.27Å; V508-I542 HydrophobicContact CG2-CD1 4.32Å; V508-I542 HydrophobicContact CG2-CG1 3.63Å; L513-I542 HydrophobicContact CD1-CG2 3.88Å; L513-I542 HydrophobicContact CG-CG2 4.35Å; L518-I542 HydrophobicContact CD2-CG2 3.76Å; Q538-I542 VanDerWaalsContact O-CG1 3.29Å; Q538-I542 WeakPolarHBondContact O-CG1 3.42Å; Q538-I542 PolarHBondContact O-N 2.85Å; W539-I542 HydrophobicContact CE3-CB 4.36Å; W539-I542 HydrophobicContact CE3-CD1 4.32Å; W539-I542 HydrophobicContact CE3-CG2 4.33Å; W539-I542 HydrophobicContact CZ3-CG2 4.16Å; W539-I542 PolarHBondContact O-N 2.75Å; I542-I544 PolarHBondContact O-N 3.39Å; I542-S546 WeakPolarHBondContact O-CB 3.17Å; I542-S546 PolarHBondContact O-N 2.59Å; I542-S546 PolarHBondContact O-OG 3.13Å |
| 543 | C | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 177 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | W539 C540 L541 S546 R547 H548 A551 I555 | W539-C543 VanDerWaalsContact CE2-SG 3.51Å; W539-C543 PolarHBondContact O-N 3.28Å; C540-C543 PolarHBondContact O-N 2.91Å; L541-C543 VanDerWaalsContact C-N 3.32Å; L541-C543 PolarHBondContact O-N 2.73Å; C543-S546 CarbonylContact O-C 3.52Å; C543-S546 PolarHBondContact O-N 2.94Å; C543-R547 PolarHBondContact O-N 3.11Å; C543-R547 VanDerWaalsContact O-N 3.1Å; C543-H548 PolarHBondContact O-N 2.98Å; C543-A551 HydrophobicContact CB-CB 3.67Å; C543-I555 HydrophobicContact CB-CD1 4.03Å |
| 544 | I | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.5 | -50.4 | 179.4 | -67.2 | 162.2 | 0 | 0 | 0 | 110.9 | C540 L541 I542 S546 R547 I555 I571 A574 L575 W578 | C540-I544 WeakPolarHBondContact O-CD1 3.17Å; C540-I544 WeakPolarHBondContact O-CG1 3.48Å; C540-I544 PolarHBondContact O-N 2.89Å; L541-I544 PolarHBondContact O-N 3.46Å; I542-I544 PolarHBondContact O-N 3.39Å; I544-S546 PolarHBondContact O-N 2.96Å; I544-R547 WeakPolarHBondContact O-CA 3.39Å; I544-R547 PolarHBondContact O-N 3.46Å; I544-I555 HydrophobicContact CD1-CD1 4.33Å; I544-I555 HydrophobicContact CD1-CG2 4.18Å; I544-I555 HydrophobicContact CG1-CD1 3.78Å; I544-I571 HydrophobicContact CD1-CG2 3.93Å; I544-A574 HydrophobicContact CD1-CB 4.14Å; I544-A574 HydrophobicContact CG2-CB 3.86Å; I544-A574 VanDerWaalsContact CG2-O 3.29Å; I544-A574 WeakPolarHBondContact CG2-O 3.43Å; I544-L575 HydrophobicContact CD1-CD2 3.84Å; I544-L575 HydrophobicContact CD1-CG 3.88Å; I544-L575 HydrophobicContact CG1-CD2 3.79Å; I544-L575 HydrophobicContact CG1-CG 4.37Å; I544-L575 HydrophobicContact CG2-CD2 4.45Å; I544-W578 HydrophobicContact CG2-CE3 4.2Å |
| 545 | I | 96.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 36% | 0.359 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 178 | -69.3 | 166.2 | 0 | 0 | 0 | 110.5 | V508 P512 L541 R547 | V508-I545 HydrophobicContact CG1-CD1 3.7Å; V508-I545 WeakPolarHBondContact O-CD1 3.48Å; P512-I545 HydrophobicContact CG-CG2 4.15Å; L541-I545 WeakPolarHBondContact O-CB 3.43Å; L541-I545 VanDerWaalsContact O-CG1 3.32Å; L541-I545 WeakPolarHBondContact O-CG1 3.42Å; L541-I545 PolarHBondContact O-N 3.07Å; I545-R547 VanDerWaalsContact C-N 3.27Å; I545-R547 PolarHBondContact O-N 3.37Å |
| 546 | S | 96.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.6 | 175.9 | -49.5 | 0 | 0 | 0 | 0 | 114.8 | L513 I542 C543 I544 H548 | L513-S546 PolarHBondContact N-OG 3.39Å; L513-S546 WeakPolarHBondContact O-CB 3.21Å; I542-S546 WeakPolarHBondContact O-CB 3.17Å; I542-S546 PolarHBondContact O-N 2.59Å; I542-S546 PolarHBondContact O-OG 3.13Å; C543-S546 CarbonylContact O-C 3.52Å; C543-S546 PolarHBondContact O-N 2.94Å; I544-S546 PolarHBondContact O-N 2.96Å; S546-H548 PolarHBondContact O-N 2.96Å |
| 547 | R | 95.9 | Very high | 97.1 | Very high | 135 Ų | 135 | 36.3 Ų | 36.3 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 38.6 | -180 | -57.5 | -171.4 | -179.1 | -164.4 | 1.7 | 113.6 | C543 I544 I545 L549 W578 E580 | C543-R547 PolarHBondContact O-N 3.11Å; C543-R547 VanDerWaalsContact O-N 3.1Å; I544-R547 WeakPolarHBondContact O-CA 3.39Å; I544-R547 PolarHBondContact O-N 3.46Å; I545-R547 VanDerWaalsContact C-N 3.27Å; I545-R547 PolarHBondContact O-N 3.37Å; R547-L549 PolarHBondContact O-N 3.17Å; R547-W578 VanDerWaalsContact C-CZ2 3.4Å; R547-W578 HydrophobicContact CB-CZ2 4.09Å; R547-W578 HydrophobicContact CG-CG 4.43Å; R547-W578 WeakPolarHBondContact O-CZ2 3.42Å; R547-E580 IonicContact NH1-OE1 3.34Å; R547-E580 PolarHBondContact NH1-OE1 2.9Å; R547-E580 IonicContact NH1-OE2 3.59Å |
| 548 | H | 95.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | trans | -79.7 | 86.1 | -179.1 | -176.5 | 40.9 | 0 | 0 | 0 | 110.8 | L518 C543 S546 P550 A551 | L518-H548 HydrophobicContact CD1-CB 3.64Å; C543-H548 PolarHBondContact O-N 2.98Å; S546-H548 PolarHBondContact O-N 2.96Å; H548-P550 VanDerWaalsContact C-CD 3.5Å; H548-A551 HydrophobicContact CB-CB 4.38Å; H548-A551 VanDerWaalsContact O-CB 3.32Å; H548-A551 WeakPolarHBondContact O-CB 3.35Å; H548-A551 PolarHBondContact O-N 2.83Å | ||
| 549 | L | 94.8 | Very high | 97 | Very high | 91 Ų | 91 | 36.3 Ų | 36.3 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -50.7 | -42.2 | -174.6 | -167.3 | 62.7 | 0 | 0 | 0 | 115.2 | R547 A551 L552 W578 | R547-L549 PolarHBondContact O-N 3.17Å; L549-A551 PolarHBondContact O-N 2.75Å; L549-A551 VanDerWaalsContact O-N 3.16Å; L549-L552 HydrophobicContact CD1-CD2 4.14Å; L549-L552 WeakPolarHBondContact O-CB 3.14Å; L549-L552 PolarHBondContact O-N 3.4Å; L549-W578 HydrophobicContact CB-CH2 4.41Å; L549-W578 HydrophobicContact CB-CZ2 4.15Å; L549-W578 HydrophobicContact CD1-CH2 4.12Å; L549-W578 HydrophobicContact CD1-CZ2 3.95Å |
| 550 | P | 94.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 38.9 Ų | 38.9 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -58.6 | -22.8 | 174.4 | -27 | 35.4 | 0 | 0 | 0 | 115.8 | H548 L552 | H548-P550 VanDerWaalsContact C-CD 3.5Å; P550-L552 VanDerWaalsContact C-N 3.27Å; P550-L552 PolarHBondContact O-N 2.68Å |
| 551 | A | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -74.7 | -16.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C543 H548 L549 D553 H554 I555 | C543-A551 HydrophobicContact CB-CB 3.67Å; H548-A551 HydrophobicContact CB-CB 4.38Å; H548-A551 VanDerWaalsContact O-CB 3.32Å; H548-A551 WeakPolarHBondContact O-CB 3.35Å; H548-A551 PolarHBondContact O-N 2.83Å; L549-A551 PolarHBondContact O-N 2.75Å; L549-A551 VanDerWaalsContact O-N 3.16Å; A551-D553 PolarHBondContact O-N 3.04Å; A551-D553 VanDerWaalsContact O-N 3.15Å; A551-H554 VanDerWaalsContact CB-NE2 3.34Å; A551-H554 WeakPolarHBondContact CB-NE2 3.43Å; A551-H554 PolarHBondContact O-CD2 3.49Å; A551-H554 PolarHBondContact O-N 2.81Å; A551-H554 VanDerWaalsContact O-N 3.14Å; A551-I555 HydrophobicContact CB-CD1 4.02Å; A551-I555 WeakPolarHBondContact O-CD1 3.41Å; A551-I555 WeakPolarHBondContact O-CG1 3.38Å; A551-I555 PolarHBondContact O-N 3.47Å; A551-I555 VanDerWaalsContact O-N 3.15Å |
| 552 | L | 97 | Very high | 96.3 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.3 | -38 | -174.4 | -173.8 | 59 | 0 | 0 | 0 | 112.1 | L549 P550 H554 I555 L556 L575 W578 A581 Q584 | L549-L552 HydrophobicContact CD1-CD2 4.14Å; L549-L552 WeakPolarHBondContact O-CB 3.14Å; L549-L552 PolarHBondContact O-N 3.4Å; P550-L552 VanDerWaalsContact C-N 3.27Å; P550-L552 PolarHBondContact O-N 2.68Å; L552-H554 PolarHBondContact O-N 2.9Å; L552-I555 PolarHBondContact O-N 3.36Å; L552-L556 HydrophobicContact CD1-CD1 4.27Å; L552-L556 HydrophobicContact CD1-CD2 4.29Å; L552-L556 HydrophobicContact CD1-CG 4.02Å; L552-L556 HydrophobicContact CG-CD1 4.06Å; L552-L556 HydrophobicContact CG-CG 4.22Å; L552-L556 WeakPolarHBondContact O-CG 3.44Å; L552-L556 PolarHBondContact O-N 2.87Å; L552-L575 HydrophobicContact CD1-CD2 3.86Å; L552-W578 HydrophobicContact CD1-CZ3 4.36Å; L552-A581 HydrophobicContact CD1-CB 4.09Å; L552-A581 HydrophobicContact CD2-CB 3.94Å; L552-Q584 HydrophobicContact CD2-CB 3.97Å; L552-Q584 HydrophobicContact CD2-CG 4.23Å |
| 553 | D | 96.8 | Very high | 96 | Very high | 130 Ų | 130 | 41.3 Ų | 41.3 | 70% | 0.695 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.1 | -47.5 | 179.5 | -70.2 | -14.4 | 0 | 0 | 0 | 112.6 | A551 I555 E557 | A551-D553 PolarHBondContact O-N 3.04Å; A551-D553 VanDerWaalsContact O-N 3.15Å; D553-I555 VanDerWaalsContact C-N 3.33Å; D553-E557 WeakPolarHBondContact O-CB 3.34Å; D553-E557 PolarHBondContact O-N 2.74Å |
| 554 | H | 97 | Very high | 95.8 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.9 | -22.5 | -179 | 81.3 | 70.2 | 0 | 0 | 0 | 112.7 | R536 W539 A551 L552 F558 | R536-H554 PolarHBondContact NH2-O 2.93Å; W539-H554 AromaticContact CD1-CE1 3.7Å; W539-H554 AromaticContact NE1-CE1 3.75Å; W539-H554 AromaticContact NE1-NE2 3.71Å; A551-H554 VanDerWaalsContact CB-NE2 3.34Å; A551-H554 WeakPolarHBondContact CB-NE2 3.43Å; A551-H554 PolarHBondContact O-CD2 3.49Å; A551-H554 PolarHBondContact O-N 2.81Å; A551-H554 VanDerWaalsContact O-N 3.14Å; L552-H554 PolarHBondContact O-N 2.9Å; H554-F558 WeakPolarHBondContact O-CB 3.34Å; H554-F558 PolarHBondContact O-N 2.98Å; H554-F558 VanDerWaalsContact O-N 3.12Å |
| 555 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.8 | -49.2 | 174 | -67.1 | 162.4 | 0 | 0 | 0 | 109.2 | C540 C543 I544 A551 L552 D553 E557 F558 L559 I571 L575 | C540-I555 HydrophobicContact CB-CG1 4.02Å; C540-I555 HydrophobicContact CB-CG2 4.45Å; C543-I555 HydrophobicContact CB-CD1 4.03Å; I544-I555 HydrophobicContact CD1-CD1 4.33Å; I544-I555 HydrophobicContact CD1-CG2 4.18Å; I544-I555 HydrophobicContact CG1-CD1 3.78Å; A551-I555 HydrophobicContact CB-CD1 4.02Å; A551-I555 WeakPolarHBondContact O-CD1 3.41Å; A551-I555 WeakPolarHBondContact O-CG1 3.38Å; A551-I555 PolarHBondContact O-N 3.47Å; A551-I555 VanDerWaalsContact O-N 3.15Å; L552-I555 PolarHBondContact O-N 3.36Å; D553-I555 VanDerWaalsContact C-N 3.33Å; I555-E557 VanDerWaalsContact C-N 3.34Å; I555-F558 PolarHBondContact O-N 3.5Å; I555-L559 PolarHBondContact O-N 3.23Å; I555-I571 HydrophobicContact CG2-CG2 3.63Å; I555-L575 HydrophobicContact CG2-CD1 4.19Å; I555-L575 HydrophobicContact CG2-CD2 4.47Å |
| 556 | L | 97.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 176.3 | -64.2 | -177.8 | 0 | 0 | 0 | 111 | L552 F558 L559 N560 L575 N588 | L552-L556 HydrophobicContact CD1-CD1 4.27Å; L552-L556 HydrophobicContact CD1-CD2 4.29Å; L552-L556 HydrophobicContact CD1-CG 4.02Å; L552-L556 HydrophobicContact CG-CD1 4.06Å; L552-L556 HydrophobicContact CG-CG 4.22Å; L552-L556 WeakPolarHBondContact O-CG 3.44Å; L552-L556 PolarHBondContact O-N 2.87Å; L556-F558 VanDerWaalsContact C-N 3.34Å; L556-F558 PolarHBondContact O-N 2.94Å; L556-L559 HydrophobicContact CD2-CD1 4.13Å; L556-L559 WeakPolarHBondContact O-CB 3.26Å; L556-L559 PolarHBondContact O-N 2.9Å; L556-N560 WeakPolarHBondContact O-CB 3.24Å; L556-N560 PolarHBondContact O-N 3.44Å; L556-N560 PolarHBondContact O-ND2 3.4Å; L556-N560 PolarHBondContact O-OD1 3.29Å; L556-L575 HydrophobicContact CD2-CD1 4.25Å; L556-N588 HydrophobicContact CD1-CB 4.29Å; L556-N588 HydrophobicContact CD2-CB 3.96Å |
| 557 | E | 97.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 173.5 | -175.2 | -92.1 | 129.2 | 0 | 0 | 112 | R536 D553 I555 N560 S561 | R536-E557 IonicContact CZ-OE2 2.87Å; R536-E557 IonicContact NH1-OE2 3.05Å; R536-E557 IonicContact NH2-OE1 3.28Å; R536-E557 IonicContact NH2-OE2 3.88Å; R536-E557 PolarHBondContact NH2-OE2 2.89Å; D553-E557 WeakPolarHBondContact O-CB 3.34Å; D553-E557 PolarHBondContact O-N 2.74Å; I555-E557 VanDerWaalsContact C-N 3.34Å; E557-N560 PolarHBondContact O-N 2.94Å; E557-S561 WeakPolarHBondContact O-CB 3.48Å; E557-S561 PolarHBondContact O-N 3.3Å |
| 558 | F | 97.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.1 | -179.1 | -125.6 | 0 | 0 | 0 | 112.5 | A533 R536 V537 H554 I555 L556 N560 S561 Q562 Y567 I571 | A533-F558 HydrophobicContact CB-CE2 4.3Å; A533-F558 HydrophobicContact CB-CZ 4.11Å; R536-F558 HydrophobicContact CB-CE2 4.47Å; R536-F558 HydrophobicContact CB-CZ 4.42Å; R536-F558 HydrophobicContact CG-CD1 4.3Å; R536-F558 HydrophobicContact CG-CD2 4.11Å; R536-F558 HydrophobicContact CG-CE1 4.45Å; R536-F558 HydrophobicContact CG-CE2 4.26Å; R536-F558 HydrophobicContact CG-CG 4.13Å; R536-F558 HydrophobicContact CG-CZ 4.43Å; V537-F558 HydrophobicContact CB-CE1 4.2Å; H554-F558 WeakPolarHBondContact O-CB 3.34Å; H554-F558 PolarHBondContact O-N 2.98Å; H554-F558 VanDerWaalsContact O-N 3.12Å; I555-F558 PolarHBondContact O-N 3.5Å; L556-F558 VanDerWaalsContact C-N 3.34Å; L556-F558 PolarHBondContact O-N 2.94Å; F558-N560 PolarHBondContact O-N 2.96Å; F558-S561 PolarHBondContact O-N 3.36Å; F558-S561 PolarHBondContact O-OG 2.64Å; F558-Q562 HydrophobicContact CE2-CG 4.2Å; F558-Y567 HydrophobicContact CZ-CD2 4.1Å; F558-Y567 HydrophobicContact CZ-CG 4.31Å; F558-I571 HydrophobicContact CD1-CD1 3.59Å; F558-I571 HydrophobicContact CE1-CD1 3.76Å |
| 559 | L | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.7 | -39.7 | 174.7 | -81.1 | 175.2 | 0 | 0 | 0 | 112.2 | I555 L556 S561 T568 I571 Y572 L575 | I555-L559 PolarHBondContact O-N 3.23Å; L556-L559 HydrophobicContact CD2-CD1 4.13Å; L556-L559 WeakPolarHBondContact O-CB 3.26Å; L556-L559 PolarHBondContact O-N 2.9Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.31Å; L559-T568 HydrophobicContact CD2-CG2 4.12Å; L559-I571 HydrophobicContact CD1-CB 4.48Å; L559-I571 HydrophobicContact CD1-CG2 3.67Å; L559-I571 HydrophobicContact CD2-CB 3.8Å; L559-I571 HydrophobicContact CD2-CD1 4.15Å; L559-I571 HydrophobicContact CD2-CG2 3.87Å; L559-I571 HydrophobicContact CG-CB 4.31Å; L559-I571 HydrophobicContact CG-CD1 4.46Å; L559-I571 HydrophobicContact CG-CG2 3.82Å; L559-Y572 HydrophobicContact CD1-CD1 4.4Å; L559-Y572 HydrophobicContact CD1-CD2 4.33Å; L559-Y572 HydrophobicContact CD1-CE1 4.08Å; L559-Y572 HydrophobicContact CD1-CE2 3.99Å; L559-Y572 HydrophobicContact CD2-CD2 4.01Å; L559-Y572 HydrophobicContact CD2-CE2 3.91Å; L559-Y572 HydrophobicContact CG-CE2 4.42Å; L559-L575 HydrophobicContact CD1-CD1 3.86Å |
| 560 | N | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 32% | 0.321 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -80.1 | -14.5 | -175.6 | -59.8 | -2.3 | 0 | 0 | 0 | 112.4 | L556 E557 F558 N588 Q592 | L556-N560 WeakPolarHBondContact O-CB 3.24Å; L556-N560 PolarHBondContact O-N 3.44Å; L556-N560 PolarHBondContact O-ND2 3.4Å; L556-N560 PolarHBondContact O-OD1 3.29Å; E557-N560 PolarHBondContact O-N 2.94Å; F558-N560 PolarHBondContact O-N 2.96Å; N560-N588 PolarHBondContact ND2-OD1 2.97Å; N560-N588 PolarHBondContact OD1-ND2 3.45Å; N560-N588 PolarHBondContact OD1-OD1 2.93Å; N560-Q592 HydrophobicContact CB-CG 4.41Å; N560-Q592 WeakPolarHBondContact OD1-CG 3.3Å |
| 561 | S | 93.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 37% | 0.371 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -82.1 | -17.8 | -178.8 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | E557 F558 L559 | E557-S561 WeakPolarHBondContact O-CB 3.48Å; E557-S561 PolarHBondContact O-N 3.3Å; F558-S561 PolarHBondContact O-N 3.36Å; F558-S561 PolarHBondContact O-OG 2.64Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.31Å |
| 562 | Q | 93.2 | Very high | 95.6 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | trans | -159.3 | 157 | -169.9 | 61.5 | 74.4 | 43 | 0 | 0 | 113.3 | P262 T280 F558 R564 T568 | P262-Q562 CarbonylContact O-C 3.48Å; T280-Q562 HydrophobicContact CG2-CB 3.62Å; T280-Q562 HydrophobicContact CG2-CG 3.83Å; F558-Q562 HydrophobicContact CE2-CG 4.2Å; Q562-R564 VanDerWaalsContact OE1-CB 3.27Å; Q562-T568 PolarHBondContact NE2-OG1 2.9Å; Q562-T568 VanDerWaalsContact NE2-OG1 3.14Å | ||
| 563 | G | 90.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | trans | -110.1 | 3.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | P262 P265 M565 T600 | P262-G563 PolarHBondContact O-N 2.76Å; P265-G563 WeakPolarHBondContact CA-O 3.3Å; G563-M565 PolarHBondContact O-N 2.89Å; G563-T600 PolarHBondContact O-OG1 2.9Å | ||
| 564 | R | 93.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | trans | -63.3 | 118.3 | -174.1 | -170.4 | 179.8 | -177.8 | -160.8 | 2.4 | 110.5 | P265 T280 E534 Q562 K566 Y567 T568 | P265-R564 CarbonylContact O-C 3.55Å; P265-R564 WeakPolarHBondContact O-CA 3.29Å; T280-R564 HydrophobicContact CG2-CB 4.3Å; E534-R564 IonicContact OE1-CZ 3.86Å; E534-R564 IonicContact OE1-NH1 2.63Å; E534-R564 PolarHBondContact OE1-NH1 3.07Å; E534-R564 IonicContact OE1-NH2 2.64Å; Q562-R564 VanDerWaalsContact OE1-CB 3.27Å; R564-K566 HydrophobicContact CG-CB 4.21Å; R564-K566 PolarHBondContact O-N 2.91Å; R564-K566 VanDerWaalsContact O-N 3.16Å; R564-Y567 HydrophobicContact CB-CD2 3.96Å; R564-Y567 HydrophobicContact CB-CE2 4.35Å; R564-Y567 HydrophobicContact CG-CD2 4.36Å; R564-Y567 HydrophobicContact CG-CE2 4.46Å; R564-Y567 VanDerWaalsContact NH1-CZ 3.28Å; R564-Y567 PolarHBondContact NH1-OH 3Å; R564-Y567 PolarHBondContact O-N 3.06Å; R564-T568 PolarHBondContact O-N 3.17Å; R564-T568 PolarHBondContact O-OG1 3.01Å | ||
| 565 | M | 93 | Very high | 95.5 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -34.1 | -174.9 | -71.2 | -170.8 | -65.2 | 0 | 0 | 113.2 | P265 Y266 G563 Y567 R569 T599 T600 L603 | P265-M565 HydrophobicContact CB-CE 4.14Å; P265-M565 HydrophobicContact CB-CG 3.9Å; P265-M565 HydrophobicContact CB-SD 4.35Å; P265-M565 PolarHBondContact O-N 2.89Å; Y266-M565 HydrophobicContact CD1-CE 3.88Å; Y266-M565 HydrophobicContact CE1-CE 3.38Å; G563-M565 PolarHBondContact O-N 2.89Å; M565-Y567 PolarHBondContact O-N 2.84Å; M565-R569 HydrophobicContact CB-CG 4.18Å; M565-R569 HydrophobicContact CG-CG 4.46Å; M565-R569 VanDerWaalsContact O-CB 3.27Å; M565-R569 WeakPolarHBondContact O-CB 3.45Å; M565-R569 PolarHBondContact O-N 2.77Å; M565-T599 HydrophobicContact SD-CG2 4.13Å; M565-T600 HydrophobicContact CG-CG2 4.27Å; M565-T600 VanDerWaalsContact CG-OG1 3.29Å; M565-T600 WeakPolarHBondContact CG-OG1 3.16Å; M565-L603 HydrophobicContact SD-CD1 3.63Å |
| 566 | K | 93.2 | Very high | 95.4 | Very high | 63 Ų | 63 | 26.8 Ų | 26.8 | 27% | 0.274 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -50.8 | -39.5 | 174.7 | -178.3 | 179 | 176.8 | -178.7 | 0 | 111.7 | E347 E534 R564 T570 | E347-K566 IonicContact OE1-NZ 3.46Å; E347-K566 PolarHBondContact OE1-NZ 2.84Å; E534-K566 IonicContact OE1-NZ 3.28Å; E534-K566 PolarHBondContact OE1-NZ 3.05Å; E534-K566 WeakPolarHBondContact OE2-CE 3.37Å; E534-K566 IonicContact OE2-NZ 2.77Å; E534-K566 PolarHBondContact OE2-NZ 2.99Å; R564-K566 HydrophobicContact CG-CB 4.21Å; R564-K566 PolarHBondContact O-N 2.91Å; R564-K566 VanDerWaalsContact O-N 3.16Å; K566-T570 VanDerWaalsContact O-CB 3.26Å; K566-T570 WeakPolarHBondContact O-CB 3.4Å; K566-T570 PolarHBondContact O-OG1 3Å |
| 567 | Y | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -94.3 | -51.4 | -179.3 | -50 | -37.8 | 0 | 0 | 0 | 111.2 | T280 A533 E534 V537 F558 R564 M565 R569 T570 I571 | T280-Y567 HydrophobicContact CG2-CD2 4.33Å; T280-Y567 HydrophobicContact CG2-CE2 4.06Å; A533-Y567 HydrophobicContact CB-CD2 4.23Å; A533-Y567 HydrophobicContact CB-CE2 3.4Å; A533-Y567 WeakPolarHBondContact CB-OH 3.45Å; E534-Y567 WeakPolarHBondContact CG-OH 3.36Å; E534-Y567 PolarHBondContact OE1-OH 2.86Å; V537-Y567 HydrophobicContact CB-CD1 3.84Å; V537-Y567 HydrophobicContact CB-CE1 4.39Å; V537-Y567 HydrophobicContact CB-CG 4.41Å; V537-Y567 HydrophobicContact CG1-CD1 3.8Å; V537-Y567 HydrophobicContact CG1-CE1 3.93Å; V537-Y567 HydrophobicContact CG2-CD1 3.98Å; V537-Y567 HydrophobicContact CG2-CG 4.49Å; F558-Y567 HydrophobicContact CZ-CD2 4.1Å; F558-Y567 HydrophobicContact CZ-CG 4.31Å; R564-Y567 HydrophobicContact CB-CD2 3.96Å; R564-Y567 HydrophobicContact CB-CE2 4.35Å; R564-Y567 HydrophobicContact CG-CD2 4.36Å; R564-Y567 HydrophobicContact CG-CE2 4.46Å; R564-Y567 VanDerWaalsContact NH1-CZ 3.28Å; R564-Y567 PolarHBondContact NH1-OH 3Å; R564-Y567 PolarHBondContact O-N 3.06Å; M565-Y567 PolarHBondContact O-N 2.84Å; Y567-R569 PolarHBondContact O-N 2.8Å; Y567-T570 PolarHBondContact O-N 2.81Å; Y567-I571 WeakPolarHBondContact O-CG1 2.8Å; Y567-I571 PolarHBondContact O-N 2.93Å |
| 568 | T | 95.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | -172 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | L559 Q562 R564 I571 Y572 T600 V604 | L559-T568 HydrophobicContact CD2-CG2 4.12Å; Q562-T568 PolarHBondContact NE2-OG1 2.9Å; Q562-T568 VanDerWaalsContact NE2-OG1 3.14Å; R564-T568 PolarHBondContact O-N 3.17Å; R564-T568 PolarHBondContact O-OG1 3.01Å; T568-I571 PolarHBondContact O-N 2.96Å; T568-Y572 HydrophobicContact CG2-CD2 3.66Å; T568-Y572 HydrophobicContact CG2-CE2 3.68Å; T568-Y572 WeakPolarHBondContact O-CB 3.4Å; T568-Y572 WeakPolarHBondContact O-CD2 3.4Å; T568-Y572 PolarHBondContact O-N 2.75Å; T568-T600 HydrophobicContact CG2-CG2 3.82Å; T568-V604 HydrophobicContact CG2-CG2 3.92Å |
| 569 | R | 94.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | -179.9 | -64.3 | -174.4 | 65 | -165.5 | 3.3 | 112.3 | M565 Y567 I571 Y572 R573 V604 D607 | M565-R569 HydrophobicContact CB-CG 4.18Å; M565-R569 HydrophobicContact CG-CG 4.46Å; M565-R569 VanDerWaalsContact O-CB 3.27Å; M565-R569 WeakPolarHBondContact O-CB 3.45Å; M565-R569 PolarHBondContact O-N 2.77Å; Y567-R569 PolarHBondContact O-N 2.8Å; R569-I571 PolarHBondContact O-N 3.35Å; R569-Y572 PolarHBondContact O-N 2.98Å; R569-R573 WeakPolarHBondContact O-CG 3.22Å; R569-R573 PolarHBondContact O-N 3.32Å; R569-V604 HydrophobicContact CG-CG2 4.17Å; R569-D607 VanDerWaalsContact CB-OD2 3.31Å; R569-D607 WeakPolarHBondContact CB-OD2 3.49Å; R569-D607 IonicContact CZ-OD1 3.55Å; R569-D607 IonicContact CZ-OD2 3.76Å; R569-D607 IonicContact NE-OD1 3.96Å; R569-D607 IonicContact NE-OD2 3.67Å; R569-D607 PolarHBondContact NE-OD2 3.34Å; R569-D607 IonicContact NH2-OD1 3.72Å; R569-D607 PolarHBondContact NH2-OD1 3.25Å; R569-D607 IonicContact NH2-OD2 3.13Å; R569-D607 PolarHBondContact NH2-OD2 2.89Å |
| 570 | T | 95.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -44.6 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | L541 K566 Y567 A574 | L541-T570 HydrophobicContact CD1-CG2 3.87Å; L541-T570 HydrophobicContact CD2-CG2 4.08Å; L541-T570 HydrophobicContact CG-CG2 4.47Å; K566-T570 VanDerWaalsContact O-CB 3.26Å; K566-T570 WeakPolarHBondContact O-CB 3.4Å; K566-T570 PolarHBondContact O-OG1 3Å; Y567-T570 PolarHBondContact O-N 2.81Å; T570-A574 PolarHBondContact O-N 3.35Å |
| 571 | I | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 177 | -65.4 | 173.2 | 0 | 0 | 0 | 111 | V537 C540 I544 I555 F558 L559 Y567 T568 R569 R573 A574 L575 | V537-I571 HydrophobicContact CG2-CD1 4.07Å; V537-I571 HydrophobicContact CG2-CG1 4.02Å; C540-I571 HydrophobicContact CB-CD1 4.01Å; C540-I571 HydrophobicContact CB-CG1 4.35Å; I544-I571 HydrophobicContact CD1-CG2 3.93Å; I555-I571 HydrophobicContact CG2-CG2 3.63Å; F558-I571 HydrophobicContact CD1-CD1 3.59Å; F558-I571 HydrophobicContact CE1-CD1 3.76Å; L559-I571 HydrophobicContact CD1-CB 4.48Å; L559-I571 HydrophobicContact CD1-CG2 3.67Å; L559-I571 HydrophobicContact CD2-CB 3.8Å; L559-I571 HydrophobicContact CD2-CD1 4.15Å; L559-I571 HydrophobicContact CD2-CG2 3.87Å; L559-I571 HydrophobicContact CG-CB 4.31Å; L559-I571 HydrophobicContact CG-CD1 4.46Å; L559-I571 HydrophobicContact CG-CG2 3.82Å; Y567-I571 WeakPolarHBondContact O-CG1 2.8Å; Y567-I571 PolarHBondContact O-N 2.93Å; T568-I571 PolarHBondContact O-N 2.96Å; R569-I571 PolarHBondContact O-N 3.35Å; I571-R573 VanDerWaalsContact C-N 3.35Å; I571-R573 PolarHBondContact O-N 2.84Å; I571-A574 PolarHBondContact O-N 3.27Å; I571-L575 HydrophobicContact CG2-CD1 3.83Å; I571-L575 HydrophobicContact CG2-CG 4.15Å; I571-L575 WeakPolarHBondContact O-CB 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 2.82Å |
| 572 | Y | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | -179.9 | -87.5 | -64.7 | 0 | 0 | 0 | 112.9 | L559 T568 R569 L575 N576 T585 N588 F589 M596 V604 L608 | L559-Y572 HydrophobicContact CD1-CD1 4.4Å; L559-Y572 HydrophobicContact CD1-CD2 4.33Å; L559-Y572 HydrophobicContact CD1-CE1 4.08Å; L559-Y572 HydrophobicContact CD1-CE2 3.99Å; L559-Y572 HydrophobicContact CD2-CD2 4.01Å; L559-Y572 HydrophobicContact CD2-CE2 3.91Å; L559-Y572 HydrophobicContact CG-CE2 4.42Å; T568-Y572 HydrophobicContact CG2-CD2 3.66Å; T568-Y572 HydrophobicContact CG2-CE2 3.68Å; T568-Y572 WeakPolarHBondContact O-CB 3.4Å; T568-Y572 WeakPolarHBondContact O-CD2 3.4Å; T568-Y572 PolarHBondContact O-N 2.75Å; R569-Y572 PolarHBondContact O-N 2.98Å; Y572-L575 PolarHBondContact O-N 2.84Å; Y572-N576 PolarHBondContact O-N 2.83Å; Y572-T585 HydrophobicContact CD1-CG2 3.65Å; Y572-T585 HydrophobicContact CE1-CG2 3.9Å; Y572-N588 PolarHBondContact OH-ND2 2.9Å; Y572-F589 HydrophobicContact CE1-CB 3.95Å; Y572-M596 HydrophobicContact CE2-CE 3.69Å; Y572-M596 WeakPolarHBondContact OH-CE 3.24Å; Y572-V604 HydrophobicContact CD1-CG1 4.09Å; Y572-V604 HydrophobicContact CD2-CB 4.33Å; Y572-V604 HydrophobicContact CD2-CG1 3.45Å; Y572-V604 VanDerWaalsContact CD2-CG1 3.45Å; Y572-V604 HydrophobicContact CD2-CG2 3.8Å; Y572-V604 HydrophobicContact CE1-CG1 4.42Å; Y572-V604 HydrophobicContact CE2-CG1 3.85Å; Y572-V604 HydrophobicContact CE2-CG2 4.37Å; Y572-V604 HydrophobicContact CG-CG1 3.59Å; Y572-L608 HydrophobicContact CD1-CD1 3.99Å; Y572-L608 HydrophobicContact CD1-CD2 4.05Å; Y572-L608 HydrophobicContact CD1-CG 4.36Å; Y572-L608 HydrophobicContact CE1-CD1 4.33Å |
| 573 | R | 95.9 | Very high | 95.5 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 172.6 | -72.8 | -175.4 | -146.7 | 121.5 | 6.4 | 111.6 | R569 I571 L575 N576 E577 D607 | R569-R573 WeakPolarHBondContact O-CG 3.22Å; R569-R573 PolarHBondContact O-N 3.32Å; I571-R573 VanDerWaalsContact C-N 3.35Å; I571-R573 PolarHBondContact O-N 2.84Å; R573-L575 VanDerWaalsContact C-N 3.28Å; R573-L575 PolarHBondContact O-N 3.2Å; R573-N576 WeakPolarHBondContact O-CB 3.25Å; R573-N576 PolarHBondContact O-N 2.71Å; R573-N576 VanDerWaalsContact O-N 3.15Å; R573-E577 PolarHBondContact O-N 3.19Å; R573-D607 HydrophobicContact CG-CB 3.56Å; R573-D607 IonicContact CZ-OD1 3.93Å; R573-D607 IonicContact CZ-OD2 3.82Å; R573-D607 IonicContact NE-OD1 3.59Å; R573-D607 PolarHBondContact NE-OD1 3.04Å; R573-D607 IonicContact NE-OD2 2.82Å; R573-D607 PolarHBondContact NE-OD2 3.19Å; R573-D607 IonicContact NH2-OD1 3.75Å; R573-D607 IonicContact NH2-OD2 3.62Å; R573-D607 PolarHBondContact NH2-OD2 2.99Å |
| 574 | A | 96.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L541 I544 T570 I571 E577 | L541-A574 HydrophobicContact CD2-CB 3.61Å; I544-A574 HydrophobicContact CD1-CB 4.14Å; I544-A574 HydrophobicContact CG2-CB 3.86Å; I544-A574 VanDerWaalsContact CG2-O 3.29Å; I544-A574 WeakPolarHBondContact CG2-O 3.43Å; T570-A574 PolarHBondContact O-N 3.35Å; I571-A574 PolarHBondContact O-N 3.27Å; A574-E577 PolarHBondContact O-N 3.16Å |
| 575 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 174.9 | -73.9 | 174.7 | 0 | 0 | 0 | 112.9 | I544 L552 I555 L556 L559 I571 Y572 R573 E577 W578 A581 T585 | I544-L575 HydrophobicContact CD1-CD2 3.84Å; I544-L575 HydrophobicContact CD1-CG 3.88Å; I544-L575 HydrophobicContact CG1-CD2 3.79Å; I544-L575 HydrophobicContact CG1-CG 4.37Å; I544-L575 HydrophobicContact CG2-CD2 4.45Å; L552-L575 HydrophobicContact CD1-CD2 3.86Å; I555-L575 HydrophobicContact CG2-CD1 4.19Å; I555-L575 HydrophobicContact CG2-CD2 4.47Å; L556-L575 HydrophobicContact CD2-CD1 4.25Å; L559-L575 HydrophobicContact CD1-CD1 3.86Å; I571-L575 HydrophobicContact CG2-CD1 3.83Å; I571-L575 HydrophobicContact CG2-CG 4.15Å; I571-L575 WeakPolarHBondContact O-CB 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 2.82Å; Y572-L575 PolarHBondContact O-N 2.84Å; R573-L575 VanDerWaalsContact C-N 3.28Å; R573-L575 PolarHBondContact O-N 3.2Å; L575-E577 PolarHBondContact O-N 3.33Å; L575-W578 HydrophobicContact CD2-CE3 3.95Å; L575-W578 HydrophobicContact CD2-CZ3 4.3Å; L575-W578 PolarHBondContact O-N 2.93Å; L575-A581 HydrophobicContact CD2-CB 4.44Å; L575-T585 HydrophobicContact CB-CG2 3.68Å; L575-T585 HydrophobicContact CD1-CG2 3.97Å; L575-T585 HydrophobicContact CG-CG2 4.46Å |
| 576 | N | 96.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -32.1 | 177 | -164.1 | 36.4 | 0 | 0 | 0 | 111.9 | Y572 R573 W578 R582 D607 L608 D609 | Y572-N576 PolarHBondContact O-N 2.83Å; R573-N576 WeakPolarHBondContact O-CB 3.25Å; R573-N576 PolarHBondContact O-N 2.71Å; R573-N576 VanDerWaalsContact O-N 3.15Å; N576-W578 PolarHBondContact O-N 3.39Å; N576-R582 PolarHBondContact OD1-NE 2.78Å; N576-R582 VanDerWaalsContact OD1-NE 3.07Å; N576-D607 PolarHBondContact ND2-O 3.41Å; N576-L608 HydrophobicContact CB-CD2 3.97Å; N576-D609 PolarHBondContact ND2-OD2 2.82Å |
| 577 | E | 95.1 | Very high | 96.4 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -0 | 175.6 | -60.4 | -59.7 | 156.7 | 0 | 0 | 113.9 | R573 A574 L575 P579 | R573-E577 PolarHBondContact O-N 3.19Å; A574-E577 PolarHBondContact O-N 3.16Å; L575-E577 PolarHBondContact O-N 3.33Å; E577-P579 WeakPolarHBondContact O-CD 3.4Å |
| 578 | W | 96.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | trans | -111.5 | 95.4 | 179.2 | -175.8 | 16.8 | 0 | 0 | 0 | 111.2 | I544 R547 L549 L552 L575 N576 E580 A581 R582 | I544-W578 HydrophobicContact CG2-CE3 4.2Å; R547-W578 VanDerWaalsContact C-CZ2 3.4Å; R547-W578 HydrophobicContact CB-CZ2 4.09Å; R547-W578 HydrophobicContact CG-CG 4.43Å; R547-W578 WeakPolarHBondContact O-CZ2 3.42Å; L549-W578 HydrophobicContact CB-CH2 4.41Å; L549-W578 HydrophobicContact CB-CZ2 4.15Å; L549-W578 HydrophobicContact CD1-CH2 4.12Å; L549-W578 HydrophobicContact CD1-CZ2 3.95Å; L552-W578 HydrophobicContact CD1-CZ3 4.36Å; L575-W578 HydrophobicContact CD2-CE3 3.95Å; L575-W578 HydrophobicContact CD2-CZ3 4.3Å; L575-W578 PolarHBondContact O-N 2.93Å; N576-W578 PolarHBondContact O-N 3.39Å; W578-E580 VanDerWaalsContact C-N 3.29Å; W578-E580 PolarHBondContact NE1-OE2 3.4Å; W578-E580 PolarHBondContact O-N 2.78Å; W578-E580 VanDerWaalsContact O-N 3.17Å; W578-A581 HydrophobicContact CB-CB 4.45Å; W578-A581 HydrophobicContact CD2-CB 3.5Å; W578-A581 VanDerWaalsContact CD2-CB 3.5Å; W578-A581 HydrophobicContact CE3-CB 3.33Å; W578-A581 HydrophobicContact CG-CB 4.02Å; W578-A581 HydrophobicContact CH2-CB 4.29Å; W578-A581 HydrophobicContact CZ2-CB 4.41Å; W578-A581 HydrophobicContact CZ3-CB 3.76Å; W578-A581 PolarHBondContact O-N 2.98Å; W578-A581 VanDerWaalsContact O-N 3.08Å; W578-R582 PolarHBondContact O-N 2.92Å | ||
| 579 | P | 95.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 49 Ų | 49 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -55.1 | -40 | -172 | -28.7 | 35.9 | 0 | 0 | 0 | 114.5 | E577 A581 R582 | E577-P579 WeakPolarHBondContact O-CD 3.4Å; P579-A581 VanDerWaalsContact C-N 3.28Å; P579-A581 PolarHBondContact O-N 2.9Å; P579-R582 PolarHBondContact O-N 2.82Å |
| 580 | E | 96.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -69.2 | -22.5 | -176.7 | -58.8 | 91.2 | 145.8 | 0 | 0 | 113.4 | R547 W578 | R547-E580 IonicContact NH1-OE1 3.34Å; R547-E580 PolarHBondContact NH1-OE1 2.9Å; R547-E580 IonicContact NH1-OE2 3.59Å; W578-E580 VanDerWaalsContact C-N 3.29Å; W578-E580 PolarHBondContact NE1-OE2 3.4Å; W578-E580 PolarHBondContact O-N 2.78Å; W578-E580 VanDerWaalsContact O-N 3.17Å |
| 581 | A | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -102.7 | -5.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L552 L575 W578 P579 E583 Q584 T585 | L552-A581 HydrophobicContact CD1-CB 4.09Å; L552-A581 HydrophobicContact CD2-CB 3.94Å; L575-A581 HydrophobicContact CD2-CB 4.44Å; W578-A581 HydrophobicContact CB-CB 4.45Å; W578-A581 HydrophobicContact CD2-CB 3.5Å; W578-A581 VanDerWaalsContact CD2-CB 3.5Å; W578-A581 HydrophobicContact CE3-CB 3.33Å; W578-A581 HydrophobicContact CG-CB 4.02Å; W578-A581 HydrophobicContact CH2-CB 4.29Å; W578-A581 HydrophobicContact CZ2-CB 4.41Å; W578-A581 HydrophobicContact CZ3-CB 3.76Å; W578-A581 PolarHBondContact O-N 2.98Å; W578-A581 VanDerWaalsContact O-N 3.08Å; P579-A581 VanDerWaalsContact C-N 3.28Å; P579-A581 PolarHBondContact O-N 2.9Å; A581-E583 PolarHBondContact O-N 3.43Å; A581-Q584 PolarHBondContact O-N 3Å; A581-T585 WeakPolarHBondContact O-CB 3.46Å; A581-T585 PolarHBondContact O-N 2.8Å; A581-T585 PolarHBondContact O-OG1 3.15Å |
| 582 | R | 95.2 | Very high | 96.4 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | -169.8 | -170 | 173.2 | -174.1 | -77.4 | -5 | 113.1 | N576 W578 P579 T585 I586 L608 | N576-R582 PolarHBondContact OD1-NE 2.78Å; N576-R582 VanDerWaalsContact OD1-NE 3.07Å; W578-R582 PolarHBondContact O-N 2.92Å; P579-R582 PolarHBondContact O-N 2.82Å; R582-T585 PolarHBondContact O-N 3.34Å; R582-I586 HydrophobicContact CG-CD1 4.09Å; R582-I586 VanDerWaalsContact CZ-CD1 3.46Å; R582-I586 WeakPolarHBondContact O-CG1 3.43Å; R582-I586 PolarHBondContact O-N 3.14Å; R582-L608 PolarHBondContact NH2-O 2.95Å |
| 583 | E | 96 | Very high | 96.2 | Very high | 158 Ų | 158 | 58.8 Ų | 58.8 | 74% | 0.738 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.1 | -49.8 | 178.8 | -174.4 | -176.8 | 167.8 | 0 | 0 | 111.4 | A581 T585 I586 K587 | A581-E583 PolarHBondContact O-N 3.43Å; E583-T585 VanDerWaalsContact C-N 3.3Å; E583-T585 PolarHBondContact O-N 3.48Å; E583-I586 PolarHBondContact O-N 3.04Å; E583-K587 WeakPolarHBondContact O-CB 3.45Å; E583-K587 PolarHBondContact O-N 2.87Å |
| 584 | Q | 97.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 177.4 | -66.1 | 80 | 3.4 | 0 | 0 | 111.6 | L552 A581 K587 N588 | L552-Q584 HydrophobicContact CD2-CB 3.97Å; L552-Q584 HydrophobicContact CD2-CG 4.23Å; A581-Q584 PolarHBondContact O-N 3Å; Q584-K587 PolarHBondContact O-N 3Å; Q584-N588 VanDerWaalsContact O-CB 3.28Å; Q584-N588 WeakPolarHBondContact O-CB 3.25Å; Q584-N588 PolarHBondContact O-N 2.95Å |
| 585 | T | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 177 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Y572 L575 A581 R582 E583 N588 F589 L608 | Y572-T585 HydrophobicContact CD1-CG2 3.65Å; Y572-T585 HydrophobicContact CE1-CG2 3.9Å; L575-T585 HydrophobicContact CB-CG2 3.68Å; L575-T585 HydrophobicContact CD1-CG2 3.97Å; L575-T585 HydrophobicContact CG-CG2 4.46Å; A581-T585 WeakPolarHBondContact O-CB 3.46Å; A581-T585 PolarHBondContact O-N 2.8Å; A581-T585 PolarHBondContact O-OG1 3.15Å; R582-T585 PolarHBondContact O-N 3.34Å; E583-T585 VanDerWaalsContact C-N 3.3Å; E583-T585 PolarHBondContact O-N 3.48Å; T585-N588 PolarHBondContact O-N 3.12Å; T585-F589 WeakPolarHBondContact O-CB 3.46Å; T585-F589 PolarHBondContact O-N 3.03Å; T585-L608 HydrophobicContact CG2-CD2 3.95Å |
| 586 | I | 97.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 178.4 | -72.2 | 172.8 | 0 | 0 | 0 | 111.1 | R582 E583 N588 F589 Y590 L610 | R582-I586 HydrophobicContact CG-CD1 4.09Å; R582-I586 VanDerWaalsContact CZ-CD1 3.46Å; R582-I586 WeakPolarHBondContact O-CG1 3.43Å; R582-I586 PolarHBondContact O-N 3.14Å; E583-I586 PolarHBondContact O-N 3.04Å; I586-N588 PolarHBondContact O-N 2.81Å; I586-F589 PolarHBondContact O-N 2.85Å; I586-Y590 HydrophobicContact CG2-CD2 3.62Å; I586-Y590 HydrophobicContact CG2-CE2 3.37Å; I586-Y590 VanDerWaalsContact O-CD2 3.29Å; I586-Y590 WeakPolarHBondContact O-CD2 3.38Å; I586-Y590 PolarHBondContact O-N 2.85Å; I586-L610 HydrophobicContact CD1-CD2 4.21Å; I586-L610 HydrophobicContact CG1-CD2 4.5Å |
| 587 | K | 97.5 | Very high | 94.2 | Very high | 129 Ų | 129 | 64.4 Ų | 64.4 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58 | -49.3 | 175.6 | -179.7 | -178.5 | 170.6 | -175.5 | 0 | 111.1 | E583 Q584 F589 Y590 E591 | E583-K587 WeakPolarHBondContact O-CB 3.45Å; E583-K587 PolarHBondContact O-N 2.87Å; Q584-K587 PolarHBondContact O-N 3Å; K587-F589 VanDerWaalsContact C-N 3.32Å; K587-F589 PolarHBondContact O-N 2.8Å; K587-Y590 PolarHBondContact O-N 2.81Å; K587-E591 WeakPolarHBondContact CE-OE1 3.42Å; K587-E591 IonicContact NZ-OE1 3.78Å; K587-E591 WeakPolarHBondContact O-CG 3.38Å; K587-E591 PolarHBondContact O-N 2.86Å |
| 588 | N | 97.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.4 | -173.2 | 81 | 0 | 0 | 0 | 111.2 | L556 N560 Y572 Q584 T585 I586 Y590 E591 Q592 | L556-N588 HydrophobicContact CD1-CB 4.29Å; L556-N588 HydrophobicContact CD2-CB 3.96Å; N560-N588 PolarHBondContact ND2-OD1 2.97Å; N560-N588 PolarHBondContact OD1-ND2 3.45Å; N560-N588 PolarHBondContact OD1-OD1 2.93Å; Y572-N588 PolarHBondContact OH-ND2 2.9Å; Q584-N588 VanDerWaalsContact O-CB 3.28Å; Q584-N588 WeakPolarHBondContact O-CB 3.25Å; Q584-N588 PolarHBondContact O-N 2.95Å; T585-N588 PolarHBondContact O-N 3.12Å; I586-N588 PolarHBondContact O-N 2.81Å; N588-Y590 PolarHBondContact O-N 2.85Å; N588-E591 PolarHBondContact O-N 2.81Å; N588-Q592 VanDerWaalsContact O-CB 3.31Å; N588-Q592 WeakPolarHBondContact O-CB 3.36Å; N588-Q592 VanDerWaalsContact O-CG 3.25Å; N588-Q592 WeakPolarHBondContact O-CG 3.42Å; N588-Q592 PolarHBondContact O-N 2.92Å |
| 589 | F | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.9 | -51.9 | 176.3 | 172 | -105.2 | 0 | 0 | 0 | 111.6 | Y572 T585 I586 K587 E591 Q592 R593 M596 V604 E605 L608 L610 | Y572-F589 HydrophobicContact CE1-CB 3.95Å; T585-F589 WeakPolarHBondContact O-CB 3.46Å; T585-F589 PolarHBondContact O-N 3.03Å; I586-F589 PolarHBondContact O-N 2.85Å; K587-F589 VanDerWaalsContact C-N 3.32Å; K587-F589 PolarHBondContact O-N 2.8Å; F589-E591 VanDerWaalsContact C-N 3.33Å; F589-E591 PolarHBondContact O-N 2.92Å; F589-Q592 CarbonylContact O-C 3.52Å; F589-Q592 PolarHBondContact O-N 2.84Å; F589-R593 HydrophobicContact CE1-CB 4.44Å; F589-R593 HydrophobicContact CE1-CG 4.33Å; F589-R593 HydrophobicContact CE2-CB 4.22Å; F589-R593 HydrophobicContact CE2-CG 4.14Å; F589-R593 HydrophobicContact CZ-CB 4Å; F589-R593 HydrophobicContact CZ-CG 3.66Å; F589-R593 WeakPolarHBondContact O-CA 3.28Å; F589-R593 VanDerWaalsContact O-CB 3.27Å; F589-R593 WeakPolarHBondContact O-CB 3.41Å; F589-R593 PolarHBondContact O-N 2.93Å; F589-M596 HydrophobicContact CD2-CE 4.01Å; F589-M596 HydrophobicContact CD2-SD 4.11Å; F589-M596 HydrophobicContact CE2-CE 4.39Å; F589-M596 HydrophobicContact CE2-SD 3.88Å; F589-V604 HydrophobicContact CD2-CB 4.19Å; F589-V604 HydrophobicContact CD2-CG1 3.34Å; F589-V604 HydrophobicContact CE2-CB 3.91Å; F589-V604 HydrophobicContact CE2-CG1 3.56Å; F589-V604 HydrophobicContact CG-CG1 4.18Å; F589-E605 HydrophobicContact CE1-CG 3.46Å; F589-E605 VanDerWaalsContact CE1-CG 3.46Å; F589-E605 HydrophobicContact CE2-CG 4.31Å; F589-E605 HydrophobicContact CZ-CB 4.43Å; F589-E605 HydrophobicContact CZ-CG 3.24Å; F589-L608 HydrophobicContact CB-CD1 3.67Å; F589-L608 HydrophobicContact CD1-CD1 4.01Å; F589-L608 HydrophobicContact CD2-CD1 4.2Å; F589-L608 HydrophobicContact CG-CD1 3.64Å; F589-L610 HydrophobicContact CD1-CD1 3.68Å; F589-L610 HydrophobicContact CE1-CD1 4.01Å |
| 590 | Y | 96.7 | Very high | 92.3 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 179.4 | -76.3 | -57.7 | 0 | 0 | 0 | 113.1 | I586 K587 N588 Q592 L610 | I586-Y590 HydrophobicContact CG2-CD2 3.62Å; I586-Y590 HydrophobicContact CG2-CE2 3.37Å; I586-Y590 VanDerWaalsContact O-CD2 3.29Å; I586-Y590 WeakPolarHBondContact O-CD2 3.38Å; I586-Y590 PolarHBondContact O-N 2.85Å; K587-Y590 PolarHBondContact O-N 2.81Å; N588-Y590 PolarHBondContact O-N 2.85Å; Y590-Q592 VanDerWaalsContact C-N 3.33Å; Y590-L610 HydrophobicContact CE2-CD1 4.4Å |
| 591 | E | 95.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 176.7 | -72.6 | 176 | 178.9 | 0 | 0 | 112.4 | K587 N588 F589 | K587-E591 WeakPolarHBondContact CE-OE1 3.42Å; K587-E591 IonicContact NZ-OE1 3.78Å; K587-E591 WeakPolarHBondContact O-CG 3.38Å; K587-E591 PolarHBondContact O-N 2.86Å; N588-E591 PolarHBondContact O-N 2.81Å; F589-E591 VanDerWaalsContact C-N 3.33Å; F589-E591 PolarHBondContact O-N 2.92Å |
| 592 | Q | 93.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -94.7 | -15.9 | -176.5 | -62.8 | -54.8 | -44.7 | 0 | 0 | 114.2 | N560 N588 F589 Y590 P594 F595 M596 | N560-Q592 HydrophobicContact CB-CG 4.41Å; N560-Q592 WeakPolarHBondContact OD1-CG 3.3Å; N588-Q592 VanDerWaalsContact O-CB 3.31Å; N588-Q592 WeakPolarHBondContact O-CB 3.36Å; N588-Q592 VanDerWaalsContact O-CG 3.25Å; N588-Q592 WeakPolarHBondContact O-CG 3.42Å; N588-Q592 PolarHBondContact O-N 2.92Å; F589-Q592 CarbonylContact O-C 3.52Å; F589-Q592 PolarHBondContact O-N 2.84Å; Y590-Q592 VanDerWaalsContact C-N 3.33Å; Q592-P594 VanDerWaalsContact C-CD 3.4Å; Q592-P594 VanDerWaalsContact C-N 3.31Å; Q592-F595 CarbonylContact O-C 3.49Å; Q592-F595 VanDerWaalsContact O-CA 3.32Å; Q592-F595 WeakPolarHBondContact O-CA 3.49Å; Q592-F595 WeakPolarHBondContact O-CB 3.35Å; Q592-F595 PolarHBondContact O-N 3.46Å; Q592-M596 HydrophobicContact CB-CE 3.9Å; Q592-M596 PolarHBondContact O-N 3.11Å |
| 593 | R | 92.2 | Very high | 91.2 | Very high | 48 Ų | 48 | 58 Ų | 58 | 18% | 0.181 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -51.3 | -42.9 | -178.8 | -170.4 | -163.3 | -170.9 | -48.9 | -8.2 | 113 | F589 F595 M596 A601 E605 | F589-R593 HydrophobicContact CE1-CB 4.44Å; F589-R593 HydrophobicContact CE1-CG 4.33Å; F589-R593 HydrophobicContact CE2-CB 4.22Å; F589-R593 HydrophobicContact CE2-CG 4.14Å; F589-R593 HydrophobicContact CZ-CB 4Å; F589-R593 HydrophobicContact CZ-CG 3.66Å; F589-R593 WeakPolarHBondContact O-CA 3.28Å; F589-R593 VanDerWaalsContact O-CB 3.27Å; F589-R593 WeakPolarHBondContact O-CB 3.41Å; F589-R593 PolarHBondContact O-N 2.93Å; R593-F595 PolarHBondContact O-N 3.36Å; R593-F595 VanDerWaalsContact O-N 3.16Å; R593-M596 PolarHBondContact O-N 3.12Å; R593-A601 HydrophobicContact CG-CB 3.97Å; R593-E605 IonicContact CZ-OE1 3.72Å; R593-E605 VanDerWaalsContact CZ-OE1 3.28Å; R593-E605 IonicContact CZ-OE2 3.93Å; R593-E605 IonicContact NE-OE1 3.88Å; R593-E605 PolarHBondContact NE-OE1 2.89Å; R593-E605 IonicContact NE-OE2 3.52Å; R593-E605 VanDerWaalsContact NH2-CD 3.27Å; R593-E605 IonicContact NH2-OE1 3.13Å; R593-E605 PolarHBondContact NH2-OE1 2.8Å; R593-E605 IonicContact NH2-OE2 2.8Å; R593-E605 PolarHBondContact NH2-OE2 2.86Å |
| 594 | P | 87.9 | Confident | 91.1 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 53% | 0.532 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -65.2 | -15.4 | 176.5 | -20.9 | 34.8 | 0 | 0 | 0 | 114 | Q592 | Q592-P594 VanDerWaalsContact C-CD 3.4Å; Q592-P594 VanDerWaalsContact C-N 3.31Å |
| 595 | F | 87.1 | Confident | 90.9 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -104.1 | 1.5 | 179.5 | -50.5 | -83.2 | 0 | 0 | 0 | 113.6 | Q121 L122 T263 Q592 R593 | Q121-F595 HydrophobicContact CG-CD1 4.4Å; Q121-F595 HydrophobicContact CG-CE1 4.07Å; L122-F595 VanDerWaalsContact CD2-CA 3.49Å; L122-F595 HydrophobicContact CD2-CB 3.94Å; L122-F595 HydrophobicContact CD2-CD1 3.71Å; L122-F595 HydrophobicContact CD2-CG 4.26Å; T263-F595 WeakPolarHBondContact CG2-O 3.37Å; Q592-F595 CarbonylContact O-C 3.49Å; Q592-F595 VanDerWaalsContact O-CA 3.32Å; Q592-F595 WeakPolarHBondContact O-CA 3.49Å; Q592-F595 WeakPolarHBondContact O-CB 3.35Å; Q592-F595 PolarHBondContact O-N 3.46Å; R593-F595 PolarHBondContact O-N 3.36Å; R593-F595 VanDerWaalsContact O-N 3.16Å |
| 596 | M | 88.1 | Confident | 90.7 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -92.5 | 152 | 174.9 | -68.9 | -177.3 | -174.4 | 0 | 0 | 111.2 | Y572 F589 Q592 R593 T600 A601 | Y572-M596 HydrophobicContact CE2-CE 3.69Å; Y572-M596 WeakPolarHBondContact OH-CE 3.24Å; F589-M596 HydrophobicContact CD2-CE 4.01Å; F589-M596 HydrophobicContact CD2-SD 4.11Å; F589-M596 HydrophobicContact CE2-CE 4.39Å; F589-M596 HydrophobicContact CE2-SD 3.88Å; Q592-M596 HydrophobicContact CB-CE 3.9Å; Q592-M596 PolarHBondContact O-N 3.11Å; R593-M596 PolarHBondContact O-N 3.12Å; M596-T600 HydrophobicContact SD-CG2 4.39Å; M596-A601 HydrophobicContact CB-CB 4.05Å |
| 597 | H | 81.8 | Confident | 90.5 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | trans | -57.2 | 141.6 | 162.9 | -175 | -91.9 | 0 | 0 | 0 | 110.5 | Q116 T263 P265 T599 T600 A601 | Q116-H597 WeakPolarHBondContact CG-NE2 3.21Å; T263-H597 WeakPolarHBondContact O-CB 3.39Å; P265-H597 HydrophobicContact CB-CB 4.27Å; P265-H597 HydrophobicContact CG-CB 4.33Å; H597-T599 VanDerWaalsContact C-N 3.33Å; H597-T599 PolarHBondContact CE1-OG1 2.86Å; H597-T599 VanDerWaalsContact CE1-OG1 3.24Å; H597-T599 WeakPolarHBondContact ND1-CB 3.49Å; H597-T599 PolarHBondContact ND1-N 2.92Å; H597-T599 VanDerWaalsContact ND1-N 3.19Å; H597-T599 PolarHBondContact ND1-OG1 2.88Å; H597-T599 PolarHBondContact O-N 2.86Å; H597-T600 CarbonylContact O-C 3.48Å; H597-T600 WeakPolarHBondContact O-CA 3.36Å; H597-T600 WeakPolarHBondContact O-CB 3.37Å; H597-T600 PolarHBondContact O-N 2.79Å; H597-A601 PolarHBondContact O-N 2.63Å | ||
| 598 | Q | 79 | Confident | 90.4 | Very high | 150 Ų | 150 | 47.1 Ų | 47.1 | 70% | 0.701 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -55.6 | -45.6 | -174.8 | -177.8 | 177.5 | -9.9 | 0 | 0 | 112.6 | A601 M602 | Q598-A601 PolarHBondContact O-N 3.48Å; Q598-M602 WeakPolarHBondContact O-CB 3.3Å; Q598-M602 PolarHBondContact O-N 3.1Å |
| 599 | T | 80.2 | Confident | 90.1 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.6 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | M565 H597 L603 | M565-T599 HydrophobicContact SD-CG2 4.13Å; H597-T599 VanDerWaalsContact C-N 3.33Å; H597-T599 PolarHBondContact CE1-OG1 2.86Å; H597-T599 VanDerWaalsContact CE1-OG1 3.24Å; H597-T599 WeakPolarHBondContact ND1-CB 3.49Å; H597-T599 PolarHBondContact ND1-N 2.92Å; H597-T599 VanDerWaalsContact ND1-N 3.19Å; H597-T599 PolarHBondContact ND1-OG1 2.88Å; H597-T599 PolarHBondContact O-N 2.86Å; T599-L603 HydrophobicContact CG2-CD1 3.84Å; T599-L603 HydrophobicContact CG2-CG 4.48Å; T599-L603 WeakPolarHBondContact O-CB 3.36Å; T599-L603 VanDerWaalsContact O-CG 3.29Å; T599-L603 WeakPolarHBondContact O-CG 3.42Å; T599-L603 PolarHBondContact O-N 2.95Å |
| 600 | T | 87.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | P265 G563 M565 T568 M596 H597 M602 L603 V604 | P265-T600 WeakPolarHBondContact CB-OG1 3.16Å; G563-T600 PolarHBondContact O-OG1 2.9Å; M565-T600 HydrophobicContact CG-CG2 4.27Å; M565-T600 VanDerWaalsContact CG-OG1 3.29Å; M565-T600 WeakPolarHBondContact CG-OG1 3.16Å; T568-T600 HydrophobicContact CG2-CG2 3.82Å; M596-T600 HydrophobicContact SD-CG2 4.39Å; H597-T600 CarbonylContact O-C 3.48Å; H597-T600 WeakPolarHBondContact O-CA 3.36Å; H597-T600 WeakPolarHBondContact O-CB 3.37Å; H597-T600 PolarHBondContact O-N 2.79Å; T600-M602 PolarHBondContact O-N 2.77Å; T600-L603 PolarHBondContact O-N 2.81Å; T600-V604 HydrophobicContact CG2-CG2 4.16Å; T600-V604 WeakPolarHBondContact O-CB 3.17Å; T600-V604 WeakPolarHBondContact O-CG2 3.22Å; T600-V604 PolarHBondContact O-N 2.93Å |
| 601 | A | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -51.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R593 M596 H597 Q598 L603 V604 E605 | R593-A601 HydrophobicContact CG-CB 3.97Å; M596-A601 HydrophobicContact CB-CB 4.05Å; H597-A601 PolarHBondContact O-N 2.63Å; Q598-A601 PolarHBondContact O-N 3.48Å; A601-L603 VanDerWaalsContact C-N 3.32Å; A601-L603 PolarHBondContact O-N 2.98Å; A601-V604 PolarHBondContact O-N 3.47Å; A601-E605 WeakPolarHBondContact O-CG 3.39Å; A601-E605 PolarHBondContact O-N 2.85Å |
| 602 | M | 87 | Confident | 86.1 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | -178.8 | 174.6 | -104.6 | -70.2 | 0 | 0 | 112.8 | Q598 T600 R606 H611 | Q598-M602 WeakPolarHBondContact O-CB 3.3Å; Q598-M602 PolarHBondContact O-N 3.1Å; T600-M602 PolarHBondContact O-N 2.77Å; M602-R606 PolarHBondContact O-N 3.45Å; M602-H611 PolarHBondContact O-NE2 2.91Å; M602-H611 VanDerWaalsContact O-NE2 3.16Å |
| 603 | L | 89.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.9 | -33 | 178.2 | -69.1 | 173.2 | 0 | 0 | 0 | 112.6 | M565 T599 T600 A601 R606 D607 | M565-L603 HydrophobicContact SD-CD1 3.63Å; T599-L603 HydrophobicContact CG2-CD1 3.84Å; T599-L603 HydrophobicContact CG2-CG 4.48Å; T599-L603 WeakPolarHBondContact O-CB 3.36Å; T599-L603 VanDerWaalsContact O-CG 3.29Å; T599-L603 WeakPolarHBondContact O-CG 3.42Å; T599-L603 PolarHBondContact O-N 2.95Å; T600-L603 PolarHBondContact O-N 2.81Å; A601-L603 VanDerWaalsContact C-N 3.32Å; A601-L603 PolarHBondContact O-N 2.98Å; L603-R606 WeakPolarHBondContact O-CB 3.47Å; L603-R606 PolarHBondContact O-N 2.67Å; L603-D607 WeakPolarHBondContact O-CB 3.38Å; L603-D607 PolarHBondContact O-N 2.68Å |
| 604 | V | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 172.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | T568 R569 Y572 F589 T600 A601 R606 D607 L608 | T568-V604 HydrophobicContact CG2-CG2 3.92Å; R569-V604 HydrophobicContact CG-CG2 4.17Å; Y572-V604 HydrophobicContact CD1-CG1 4.09Å; Y572-V604 HydrophobicContact CD2-CB 4.33Å; Y572-V604 HydrophobicContact CD2-CG1 3.45Å; Y572-V604 VanDerWaalsContact CD2-CG1 3.45Å; Y572-V604 HydrophobicContact CD2-CG2 3.8Å; Y572-V604 HydrophobicContact CE1-CG1 4.42Å; Y572-V604 HydrophobicContact CE2-CG1 3.85Å; Y572-V604 HydrophobicContact CE2-CG2 4.37Å; Y572-V604 HydrophobicContact CG-CG1 3.59Å; F589-V604 HydrophobicContact CD2-CB 4.19Å; F589-V604 HydrophobicContact CD2-CG1 3.34Å; F589-V604 HydrophobicContact CE2-CB 3.91Å; F589-V604 HydrophobicContact CE2-CG1 3.56Å; F589-V604 HydrophobicContact CG-CG1 4.18Å; T600-V604 HydrophobicContact CG2-CG2 4.16Å; T600-V604 WeakPolarHBondContact O-CB 3.17Å; T600-V604 WeakPolarHBondContact O-CG2 3.22Å; T600-V604 PolarHBondContact O-N 2.93Å; A601-V604 PolarHBondContact O-N 3.47Å; V604-R606 PolarHBondContact O-N 3.08Å; V604-D607 CarbonylContact O-C 3.17Å; V604-D607 PolarHBondContact O-N 2.73Å; V604-D607 VanDerWaalsContact O-N 3.1Å; V604-L608 HydrophobicContact CG1-CD1 3.84Å; V604-L608 HydrophobicContact CG1-CG 4.18Å; V604-L608 WeakPolarHBondContact O-CB 3.38Å; V604-L608 WeakPolarHBondContact O-CG 3.16Å; V604-L608 PolarHBondContact O-N 2.83Å |
| 605 | E | 93.9 | Very high | 78.2 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.9 | -39.8 | 172.2 | -73.9 | 174.4 | 146.8 | 0 | 0 | 111.6 | F589 R593 A601 L608 D609 L610 | F589-E605 HydrophobicContact CE1-CG 3.46Å; F589-E605 VanDerWaalsContact CE1-CG 3.46Å; F589-E605 HydrophobicContact CE2-CG 4.31Å; F589-E605 HydrophobicContact CZ-CB 4.43Å; F589-E605 HydrophobicContact CZ-CG 3.24Å; R593-E605 IonicContact CZ-OE1 3.72Å; R593-E605 VanDerWaalsContact CZ-OE1 3.28Å; R593-E605 IonicContact CZ-OE2 3.93Å; R593-E605 IonicContact NE-OE1 3.88Å; R593-E605 PolarHBondContact NE-OE1 2.89Å; R593-E605 IonicContact NE-OE2 3.52Å; R593-E605 VanDerWaalsContact NH2-CD 3.27Å; R593-E605 IonicContact NH2-OE1 3.13Å; R593-E605 PolarHBondContact NH2-OE1 2.8Å; R593-E605 IonicContact NH2-OE2 2.8Å; R593-E605 PolarHBondContact NH2-OE2 2.86Å; A601-E605 WeakPolarHBondContact O-CG 3.39Å; A601-E605 PolarHBondContact O-N 2.85Å; E605-L608 PolarHBondContact O-N 3.12Å; E605-D609 PolarHBondContact O-N 2.98Å; E605-L610 PolarHBondContact O-N 2.85Å |
| 606 | R | 91.4 | Very high | 75.7 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 175.7 | -164.2 | 178.7 | 72.2 | -175.9 | 9.9 | 112.6 | M602 L603 V604 L608 D609 H611 | M602-R606 PolarHBondContact O-N 3.45Å; L603-R606 WeakPolarHBondContact O-CB 3.47Å; L603-R606 PolarHBondContact O-N 2.67Å; V604-R606 PolarHBondContact O-N 3.08Å; R606-L608 PolarHBondContact O-N 2.65Å; R606-D609 PolarHBondContact O-N 2.96Å; R606-H611 WeakPolarHBondContact CA-CD2 3.35Å; R606-H611 VanDerWaalsContact CB-CD2 3.45Å; R606-H611 WeakPolarHBondContact CB-CD2 3.36Å; R606-H611 WeakPolarHBondContact CB-NE2 3.32Å; R606-H611 PolarHBondContact N-CD2 2.62Å; R606-H611 PolarHBondContact N-NE2 2.78Å |
| 607 | D | 93.1 | Very high | 72.9 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.9 | -18 | 178.8 | -69.1 | -24.7 | 0 | 0 | 0 | 112.3 | R569 R573 N576 L603 V604 | R569-D607 VanDerWaalsContact CB-OD2 3.31Å; R569-D607 WeakPolarHBondContact CB-OD2 3.49Å; R569-D607 IonicContact CZ-OD1 3.55Å; R569-D607 IonicContact CZ-OD2 3.76Å; R569-D607 IonicContact NE-OD1 3.96Å; R569-D607 IonicContact NE-OD2 3.67Å; R569-D607 PolarHBondContact NE-OD2 3.34Å; R569-D607 IonicContact NH2-OD1 3.72Å; R569-D607 PolarHBondContact NH2-OD1 3.25Å; R569-D607 IonicContact NH2-OD2 3.13Å; R569-D607 PolarHBondContact NH2-OD2 2.89Å; R573-D607 HydrophobicContact CG-CB 3.56Å; R573-D607 IonicContact CZ-OD1 3.93Å; R573-D607 IonicContact CZ-OD2 3.82Å; R573-D607 IonicContact NE-OD1 3.59Å; R573-D607 PolarHBondContact NE-OD1 3.04Å; R573-D607 IonicContact NE-OD2 2.82Å; R573-D607 PolarHBondContact NE-OD2 3.19Å; R573-D607 IonicContact NH2-OD1 3.75Å; R573-D607 IonicContact NH2-OD2 3.62Å; R573-D607 PolarHBondContact NH2-OD2 2.99Å; N576-D607 PolarHBondContact ND2-O 3.41Å; L603-D607 WeakPolarHBondContact O-CB 3.38Å; L603-D607 PolarHBondContact O-N 2.68Å; V604-D607 CarbonylContact O-C 3.17Å; V604-D607 PolarHBondContact O-N 2.73Å; V604-D607 VanDerWaalsContact O-N 3.1Å |
| 608 | L | 95.3 | Very high | 70.2 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4 | 176.6 | -66.4 | -179.9 | 0 | 0 | 0 | 114.5 | Y572 N576 R582 T585 F589 V604 E605 R606 L610 | Y572-L608 HydrophobicContact CD1-CD1 3.99Å; Y572-L608 HydrophobicContact CD1-CD2 4.05Å; Y572-L608 HydrophobicContact CD1-CG 4.36Å; Y572-L608 HydrophobicContact CE1-CD1 4.33Å; N576-L608 HydrophobicContact CB-CD2 3.97Å; R582-L608 PolarHBondContact NH2-O 2.95Å; T585-L608 HydrophobicContact CG2-CD2 3.95Å; F589-L608 HydrophobicContact CB-CD1 3.67Å; F589-L608 HydrophobicContact CD1-CD1 4.01Å; F589-L608 HydrophobicContact CD2-CD1 4.2Å; F589-L608 HydrophobicContact CG-CD1 3.64Å; V604-L608 HydrophobicContact CG1-CD1 3.84Å; V604-L608 HydrophobicContact CG1-CG 4.18Å; V604-L608 WeakPolarHBondContact O-CB 3.38Å; V604-L608 WeakPolarHBondContact O-CG 3.16Å; V604-L608 PolarHBondContact O-N 2.83Å; E605-L608 PolarHBondContact O-N 3.12Å; R606-L608 PolarHBondContact O-N 2.65Å; L608-L610 VanDerWaalsContact C-N 3.25Å; L608-L610 HydrophobicContact CB-CD1 3.91Å; L608-L610 HydrophobicContact CB-CG 3.8Å; L608-L610 HydrophobicContact CD1-CD1 4.04Å; L608-L610 PolarHBondContact O-N 3.43Å |
| 609 | D | 92 | Very high | 67.9 | Low | 122 Ų | 122 | 74.2 Ų | 74.2 | 65% | 0.652 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.6 | -175.8 | -51.7 | -61.7 | 0 | 0 | 0 | 114 | N576 E605 R606 | N576-D609 PolarHBondContact ND2-OD2 2.82Å; E605-D609 PolarHBondContact O-N 2.98Å; R606-D609 PolarHBondContact O-N 2.96Å |
| 610 | L | 90.6 | Very high | 65.5 | Low | 37 Ų | 37 | 83.9 Ų | 83.9 | 19% | 0.194 | 46% | 0.455 | C | S | . | . | trans | -93.9 | 0.9 | -179.6 | -60.3 | 178.7 | 0 | 0 | 0 | 113.5 | I586 F589 Y590 E605 L608 E612 | I586-L610 HydrophobicContact CD1-CD2 4.21Å; I586-L610 HydrophobicContact CG1-CD2 4.5Å; F589-L610 HydrophobicContact CD1-CD1 3.68Å; F589-L610 HydrophobicContact CE1-CD1 4.01Å; Y590-L610 HydrophobicContact CE2-CD1 4.4Å; E605-L610 PolarHBondContact O-N 2.85Å; L608-L610 VanDerWaalsContact C-N 3.25Å; L608-L610 HydrophobicContact CB-CD1 3.91Å; L608-L610 HydrophobicContact CB-CG 3.8Å; L608-L610 HydrophobicContact CD1-CD1 4.04Å; L608-L610 PolarHBondContact O-N 3.43Å; L610-E612 PolarHBondContact O-N 3.2Å | ||
| 611 | H | 69 | Low | 64.4 | Low | 100 Ų | 100 | 88.1 Ų | 88.1 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | trans | -71.5 | 109.2 | 176.6 | -81.3 | -61.9 | 0 | 0 | 0 | 111.3 | M602 R606 | M602-H611 PolarHBondContact O-NE2 2.91Å; M602-H611 VanDerWaalsContact O-NE2 3.16Å; R606-H611 WeakPolarHBondContact CA-CD2 3.35Å; R606-H611 VanDerWaalsContact CB-CD2 3.45Å; R606-H611 WeakPolarHBondContact CB-CD2 3.36Å; R606-H611 WeakPolarHBondContact CB-NE2 3.32Å; R606-H611 PolarHBondContact N-CD2 2.62Å; R606-H611 PolarHBondContact N-NE2 2.78Å | ||
| 612 | E | 46.8 | Very low | 63.1 | Low | 156 Ų | 156 | 92.7 Ų | 92.7 | 73% | 0.729 | 50% | 0.502 | S | S | * | . | trans | -85.9 | 129.3 | 159.3 | -71.8 | -171.2 | 166.4 | 0 | 0 | 109.6 | L610 G614 K615 | L610-E612 PolarHBondContact O-N 3.2Å; E612-G614 PolarHBondContact O-N 3.21Å; E612-K615 PolarHBondContact O-N 2.92Å | ||
| 613 | N | 39.4 | Very low | 61.8 | Low | 172 Ų | 172 | 92.9 Ų | 92.9 | 92% | 0.92 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -21.7 | 90.2 | 177.5 | -75.2 | -30.9 | 0 | 0 | 0 | 115.1 | K615 | N613-K615 PolarHBondContact O-N 2.78Š|
| 614 | G | 37.4 | Very low | 60.2 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 85% | 0.845 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 15.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | E612 | E612-G614 PolarHBondContact O-N 3.21Š|
| 615 | K | 30.4 | Very low | 58.1 | Low | 180 Ų | 180 | 103.1 Ų | 103.1 | 78% | 0.783 | 56% | 0.562 | S | S | * | * | trans | -134.5 | 113 | 170.8 | -70.7 | -172.5 | 179.5 | -179.6 | 0 | 111.9 | E612 N613 V617 | E612-K615 PolarHBondContact O-N 2.92Å; N613-K615 PolarHBondContact O-N 2.78Å; K615-V617 PolarHBondContact O-N 2.77Å | ||
| 616 | T | 34.8 | Very low | 55.7 | Low | 111 Ų | 111 | 109.1 Ų | 109.1 | 68% | 0.681 | 60% | 0.595 | S | S | * | * | trans | -52.5 | 121.7 | 165.8 | -15.4 | 0 | 0 | 0 | 0 | 108.6 | S618 | T616-S618 PolarHBondContact O-N 3.04Š| ||
| 617 | V | 28.7 | Very low | 53.2 | Low | 73 Ų | 73 | 107.2 Ų | 107.2 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | trans | -66.8 | 102.8 | 174 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | K615 T619 | K615-V617 PolarHBondContact O-N 2.77Å; V617-T619 HydrophobicContact CG1-CG2 4.07Å; V617-T619 PolarHBondContact O-N 3.44Å | ||
| 618 | S | 25.4 | Very low | 50.1 | Low | 113 Ų | 113 | 114 Ų | 114 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | trans | -71.1 | 93.4 | 168.9 | 63.3 | 0 | 0 | 0 | 0 | 108.2 | T616 | T616-S618 PolarHBondContact O-N 3.04Š| ||
| 619 | T | 31.6 | Very low | 46.3 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | trans | -83.5 | 125.5 | 161.3 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | V617 | V617-T619 HydrophobicContact CG1-CG2 4.07Å; V617-T619 PolarHBondContact O-N 3.44Å | ||
| 620 | I | 29.9 | Very low | 42.2 | Very low | 242 Ų | 242 | 123.6 Ų | 123.6 | 100% | 1.241 | 70% | 0.697 | S | S | * | * | trans | -46.6 | 0 | -175 | -64.2 | 164.7 | 0 | 0 | 0 | 113.7 |
Retrieved 620 of 620 residues in 134.3 ms
(Link to these results)