| 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 | 49.5 | Very low | 79 | Confident | 222 Ų | 222 | 84.8 Ų | 84.8 | 100% | 1.094 | 44% | 0.439 | S | S | * | . | 0 | 116.6 | 0 | -74.4 | 171.5 | 169.2 | 0 | 0 | 105.7 | |||||
| 2 | S | 56 | Low | 80.2 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | trans | -62.2 | 143.5 | 173.2 | -50.5 | 0 | 0 | 0 | 0 | 109 | E6 | S2-E6 VanDerWaalsContact CA-OE2 3.22Å; S2-E6 WeakPolarHBondContact CA-OE2 3.4Å; S2-E6 VanDerWaalsContact CB-OE2 3.3Å; S2-E6 WeakPolarHBondContact CB-OE2 3.28Å | ||
| 3 | S | 65.9 | Low | 81.2 | Confident | 52 Ų | 52 | 85.5 Ų | 85.5 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | trans | -70.9 | 155.7 | 177.7 | 75.6 | 0 | 0 | 0 | 0 | 110.2 | E5 E6 L7 | S3-E5 PolarHBondContact O-N 3.08Å; S3-E6 PolarHBondContact N-OE2 3.23Å; S3-E6 WeakPolarHBondContact O-CB 3.23Å; S3-E6 PolarHBondContact O-N 3.13Å; S3-E6 WeakPolarHBondContact OG-CG 2.87Å; S3-E6 PolarHBondContact OG-N 3.39Å; S3-L7 PolarHBondContact O-N 3.27Å | ||
| 4 | S | 67.6 | Low | 82.3 | Confident | 61 Ų | 61 | 81.4 Ų | 81.4 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55.3 | -33.3 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | E6 L7 Y8 | S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 2.85Å; S4-L7 PolarHBondContact O-N 3.46Å; S4-Y8 PolarHBondContact O-N 3.38Å |
| 5 | E | 71.4 | Confident | 83.2 | Confident | 160 Ų | 160 | 78.6 Ų | 78.6 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.9 | -28.3 | 177.7 | -62.1 | 179.8 | 168.4 | 0 | 0 | 113.4 | S3 R18 | S3-E5 PolarHBondContact O-N 3.08Å; E5-R18 PolarHBondContact O-NE 3.31Å |
| 6 | E | 84.9 | Confident | 84.1 | Confident | 123 Ų | 123 | 73.7 Ų | 73.7 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -79 | -25.6 | 176.8 | -71.6 | 171 | 171.6 | 0 | 0 | 112.7 | S2 S3 S4 R18 | S2-E6 VanDerWaalsContact CA-OE2 3.22Å; S2-E6 WeakPolarHBondContact CA-OE2 3.4Å; S2-E6 VanDerWaalsContact CB-OE2 3.3Å; S2-E6 WeakPolarHBondContact CB-OE2 3.28Å; S3-E6 PolarHBondContact N-OE2 3.23Å; S3-E6 WeakPolarHBondContact O-CB 3.23Å; S3-E6 PolarHBondContact O-N 3.13Å; S3-E6 WeakPolarHBondContact OG-CG 2.87Å; S3-E6 PolarHBondContact OG-N 3.39Å; S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 2.85Å; E6-R18 VanDerWaalsContact O-CD 3.27Å; E6-R18 WeakPolarHBondContact O-CD 3.35Å |
| 7 | L | 91.9 | Very high | 84.8 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -95.6 | -32 | -176.6 | -64.9 | 175.4 | 0 | 0 | 0 | 112.7 | S3 S4 R18 E143 | S3-L7 PolarHBondContact O-N 3.27Å; S4-L7 PolarHBondContact O-N 3.46Å; L7-R18 PolarHBondContact O-N 2.97Å; L7-E143 HydrophobicContact CD1-CB 4.21Å |
| 8 | Y | 95.3 | Very high | 85.4 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.5 | -173.3 | -56.4 | -50.8 | 0 | 0 | 0 | 113.5 | S4 L15 F16 R18 L142 E143 V161 | S4-Y8 PolarHBondContact O-N 3.38Å; Y8-L15 HydrophobicContact CD2-CD1 4.45Å; Y8-F16 CarbonylContact C-O 3.47Å; Y8-F16 VanDerWaalsContact CA-O 3.31Å; Y8-F16 WeakPolarHBondContact CA-O 3.48Å; Y8-R18 PolarHBondContact O-NE 3.48Å; Y8-R18 PolarHBondContact O-NH2 3.4Å; Y8-L142 HydrophobicContact CE1-CD2 3.78Å; Y8-E143 HydrophobicContact CE2-CB 4.01Å; Y8-E143 HydrophobicContact CE2-CG 4.02Å; Y8-E143 WeakPolarHBondContact OH-CG 3.23Å; Y8-E143 PolarHBondContact OH-N 3.14Å; Y8-V161 HydrophobicContact CD1-CG1 3.86Å; Y8-V161 HydrophobicContact CE1-CG1 3.47Å; Y8-V161 VanDerWaalsContact CE1-CG1 3.47Å |
| 9 | L | 95.6 | Very high | 85.9 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 12% | 0.12 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.7 | 165.5 | 173.8 | 63.9 | 0 | 0 | 0 | 107.5 | F16 R18 L26 | L9-F16 PolarHBondContact N-O 3.11Å; L9-F16 PolarHBondContact O-N 2.83Å; L9-R18 HydrophobicContact CB-CG 3.99Å; L9-L26 HydrophobicContact CD2-CD1 3.66Å; L9-L26 HydrophobicContact CG-CD1 4.47Å |
| 10 | E | 95.6 | Very high | 86.3 | Confident | 140 Ų | 140 | 72.2 Ų | 72.2 | 65% | 0.654 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.5 | 167 | -168.4 | -178.3 | 154.9 | 0 | 0 | 109.5 | L14 L15 | E10-L14 CarbonylContact C-O 3.55Å; E10-L14 WeakPolarHBondContact CA-O 3.42Å; E10-L15 HydrophobicContact CB-CD2 4.22Å; E10-L15 HydrophobicContact CG-CD2 4.44Å |
| 11 | Y | 95 | Very high | 86.8 | Confident | 48 Ų | 48 | 69 Ų | 69 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 119.2 | 177.5 | -171.1 | -92.8 | 0 | 0 | 0 | 109.9 | G13 L14 L26 Q30 F106 | Y11-G13 PolarHBondContact O-N 2.82Å; Y11-L14 PolarHBondContact N-O 2.83Å; Y11-L14 PolarHBondContact O-N 2.69Å; Y11-L14 VanDerWaalsContact O-N 3.11Å; Y11-L26 VanDerWaalsContact CB-CD1 3.44Å; Y11-L26 HydrophobicContact CD1-CB 4.25Å; Y11-L26 HydrophobicContact CD1-CD1 3.86Å; Y11-L26 HydrophobicContact CD2-CB 4.43Å; Y11-L26 HydrophobicContact CD2-CD1 3.9Å; Y11-L26 HydrophobicContact CE1-CB 4.17Å; Y11-L26 HydrophobicContact CE2-CB 4.36Å; Y11-L26 HydrophobicContact CG-CB 4.38Å; Y11-L26 HydrophobicContact CG-CD1 3.47Å; Y11-L26 VanDerWaalsContact CG-CD1 3.47Å; Y11-Q30 PolarHBondContact OH-OE1 3.34Å; Y11-F106 HydrophobicContact CD1-CE1 4.01Å |
| 12 | Q | 93.5 | Very high | 89.1 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.4 | -177.8 | -61.7 | -179.6 | -1.5 | 0 | 0 | 113.2 | Q30 F106 | Q12-Q30 VanDerWaalsContact OE1-NE2 3.16Å; Q12-F106 HydrophobicContact CB-CE1 4.1Å; Q12-F106 HydrophobicContact CB-CE2 4.33Å; Q12-F106 HydrophobicContact CB-CZ 3.58Å |
| 13 | G | 93.6 | Very high | 91 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 7.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y11 | Y11-G13 PolarHBondContact O-N 2.82Š|
| 14 | L | 96.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 149.8 | 173.7 | -62.1 | -177.3 | 0 | 0 | 0 | 111.5 | E10 Y11 F16 P103 F106 | E10-L14 CarbonylContact C-O 3.55Å; E10-L14 WeakPolarHBondContact CA-O 3.42Å; Y11-L14 PolarHBondContact N-O 2.83Å; Y11-L14 PolarHBondContact O-N 2.69Å; Y11-L14 VanDerWaalsContact O-N 3.11Å; L14-F16 HydrophobicContact CB-CD2 4.48Å; L14-F16 HydrophobicContact CB-CE2 3.63Å; L14-F16 HydrophobicContact CB-CZ 3.93Å; L14-F16 HydrophobicContact CD1-CZ 4.32Å; L14-F16 WeakPolarHBondContact O-CD2 3.46Å; L14-P103 HydrophobicContact CD1-CG 3.78Å; L14-F106 HydrophobicContact CB-CZ 4.19Å; L14-F106 HydrophobicContact CD1-CD2 4.19Å; L14-F106 HydrophobicContact CD1-CE1 3.97Å; L14-F106 HydrophobicContact CD1-CE2 3.55Å; L14-F106 HydrophobicContact CD1-CZ 3.42Å; L14-F106 VanDerWaalsContact CD1-CZ 3.42Å; L14-F106 HydrophobicContact CG-CE2 4.13Å; L14-F106 HydrophobicContact CG-CZ 3.75Å |
| 15 | L | 96.6 | Very high | 94 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.4 | 175.3 | -60.9 | 176.1 | 0 | 0 | 0 | 110.9 | Y8 E10 V161 F162 | Y8-L15 HydrophobicContact CD2-CD1 4.45Å; E10-L15 HydrophobicContact CB-CD2 4.22Å; E10-L15 HydrophobicContact CG-CD2 4.44Å; L15-V161 CarbonylContact O-C 3.58Å; L15-V161 VanDerWaalsContact O-CA 3.24Å; L15-V161 WeakPolarHBondContact O-CA 3.46Å; L15-F162 PolarHBondContact O-N 3.14Å |
| 16 | F | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.3 | 176.4 | -61.6 | -90.6 | 0 | 0 | 0 | 110.3 | Y8 L9 L14 R18 H21 L26 F102 F106 F162 | Y8-F16 CarbonylContact C-O 3.47Å; Y8-F16 VanDerWaalsContact CA-O 3.31Å; Y8-F16 WeakPolarHBondContact CA-O 3.48Å; L9-F16 PolarHBondContact N-O 3.11Å; L9-F16 PolarHBondContact O-N 2.83Å; L14-F16 HydrophobicContact CB-CD2 4.48Å; L14-F16 HydrophobicContact CB-CE2 3.63Å; L14-F16 HydrophobicContact CB-CZ 3.93Å; L14-F16 HydrophobicContact CD1-CZ 4.32Å; L14-F16 WeakPolarHBondContact O-CD2 3.46Å; F16-R18 PolarHBondContact O-N 3.12Å; F16-H21 HydrophobicContact CB-CB 3.93Å; F16-H21 AromaticContact CD1-CD2 3.76Å; F16-H21 AromaticContact CD1-NE2 4Å; F16-L26 HydrophobicContact CD1-CD2 3.97Å; F16-L26 HydrophobicContact CD2-CD1 3.91Å; F16-L26 HydrophobicContact CE1-CD2 3.99Å; F16-L26 HydrophobicContact CE2-CD1 4.21Å; F16-L26 HydrophobicContact CG-CD1 4.15Å; F16-L26 HydrophobicContact CG-CD2 4.27Å; F16-L26 HydrophobicContact CZ-CD2 4.29Å; F16-F102 HydrophobicContact CE1-CD1 4.1Å; F16-F102 AromaticContact CE1-CE1 3.66Å; F16-F102 HydrophobicContact CE1-CE1 3.66Å; F16-F102 HydrophobicContact CZ-CD1 4.49Å; F16-F102 HydrophobicContact CZ-CE1 4.04Å; F16-F106 HydrophobicContact CE2-CE1 4.03Å; F16-F106 HydrophobicContact CZ-CD1 4.08Å; F16-F106 AromaticContact CZ-CE1 3.67Å; F16-F106 HydrophobicContact CZ-CE1 3.67Å; F16-F162 HydrophobicContact CD1-CD1 4.21Å; F16-F162 AromaticContact CD1-CE1 3.66Å; F16-F162 HydrophobicContact CD1-CE1 3.66Å; F16-F162 AromaticContact CD1-CZ 3.98Å; F16-F162 HydrophobicContact CD1-CZ 3.98Å; F16-F162 AromaticContact CE1-CD1 3.74Å; F16-F162 HydrophobicContact CE1-CD1 3.74Å; F16-F162 AromaticContact CE1-CE1 3.43Å; F16-F162 HydrophobicContact CE1-CE1 3.43Å; F16-F162 VanDerWaalsContact CE1-CE1 3.43Å; F16-F162 HydrophobicContact CE1-CZ 4.22Å |
| 17 | P | 96.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.045 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.2 | 174.2 | -18 | 28.2 | 0 | 0 | 0 | 112.1 | E19 T20 H21 F141 L142 V161 | P17-E19 PolarHBondContact O-N 2.89Å; P17-T20 PolarHBondContact O-N 3.13Å; P17-H21 WeakPolarHBondContact O-CB 3.41Å; P17-H21 PolarHBondContact O-N 3.44Å; P17-H21 PolarHBondContact O-ND1 3.36Å; P17-H21 VanDerWaalsContact O-ND1 3.13Å; P17-F141 HydrophobicContact CB-CD2 3.96Å; P17-F141 HydrophobicContact CB-CE2 4.45Å; P17-L142 HydrophobicContact CB-CD2 4.34Å; P17-L142 HydrophobicContact CG-CD2 3.95Å; P17-V161 HydrophobicContact CG-CG1 3.93Å |
| 18 | R | 95.4 | Very high | 96.2 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.1 | 177.6 | -76.3 | 177.9 | 179.1 | -79.6 | 0 | 113.6 | E5 E6 L7 Y8 L9 F16 T20 H21 | E5-R18 PolarHBondContact O-NE 3.31Å; E6-R18 VanDerWaalsContact O-CD 3.27Å; E6-R18 WeakPolarHBondContact O-CD 3.35Å; L7-R18 PolarHBondContact O-N 2.97Å; Y8-R18 PolarHBondContact O-NE 3.48Å; Y8-R18 PolarHBondContact O-NH2 3.4Å; L9-R18 HydrophobicContact CB-CG 3.99Å; F16-R18 PolarHBondContact O-N 3.12Å; R18-T20 VanDerWaalsContact C-N 3.3Å; R18-T20 PolarHBondContact O-N 2.9Å; R18-H21 CarbonylContact C-O 3.24Å; R18-H21 WeakPolarHBondContact CA-O 3.28Å; R18-H21 VanDerWaalsContact O-O 3.08Å |
| 19 | E | 94.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.6 | 179.2 | -173.7 | 58.6 | -138.9 | 0 | 0 | 112.3 | P17 F141 Y240 | P17-E19 PolarHBondContact O-N 2.89Å; E19-F141 HydrophobicContact CB-CB 3.45Å; E19-F141 VanDerWaalsContact CB-CB 3.45Å; E19-F141 HydrophobicContact CB-CG 3.96Å; E19-F141 HydrophobicContact CG-CB 3.91Å; E19-F141 HydrophobicContact CG-CD1 4.31Å; E19-F141 HydrophobicContact CG-CG 4.22Å; E19-Y240 HydrophobicContact CG-CD1 3.9Å; E19-Y240 HydrophobicContact CG-CE1 3.95Å; E19-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E19-Y240 PolarHBondContact OE1-OH 3.47Å |
| 20 | T | 94.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 55 Ų | 55 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -15.9 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | P17 R18 E82 T83 | P17-T20 PolarHBondContact O-N 3.13Å; R18-T20 VanDerWaalsContact C-N 3.3Å; R18-T20 PolarHBondContact O-N 2.9Å; T20-E82 WeakPolarHBondContact O-CA 3.07Å; T20-E82 PolarHBondContact OG1-OE1 2.94Å; T20-T83 PolarHBondContact O-N 2.64Å; T20-T83 PolarHBondContact O-OG1 3.36Å; T20-T83 VanDerWaalsContact O-OG1 3.05Å |
| 21 | H | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | trans | -121 | 142.7 | -177.3 | -55.2 | 72.5 | 0 | 0 | 0 | 111.9 | F16 P17 R18 E81 F162 | F16-H21 HydrophobicContact CB-CB 3.93Å; F16-H21 AromaticContact CD1-CD2 3.76Å; F16-H21 AromaticContact CD1-NE2 4Å; P17-H21 WeakPolarHBondContact O-CB 3.41Å; P17-H21 PolarHBondContact O-N 3.44Å; P17-H21 PolarHBondContact O-ND1 3.36Å; P17-H21 VanDerWaalsContact O-ND1 3.13Å; R18-H21 CarbonylContact C-O 3.24Å; R18-H21 WeakPolarHBondContact CA-O 3.28Å; R18-H21 VanDerWaalsContact O-O 3.08Å; H21-E81 PolarHBondContact CD2-O 2.93Å; H21-E81 WeakPolarHBondContact NE2-CG 3.35Å; H21-F162 AromaticContact NE2-CZ 3.8Å | ||
| 22 | S | 97.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | trans | -130.2 | 168.1 | 168 | 84.4 | 0 | 0 | 0 | 0 | 110.4 | E24 S25 L26 | S22-E24 WeakPolarHBondContact CB-OE2 3.34Å; S22-E24 PolarHBondContact O-N 3Å; S22-E24 WeakPolarHBondContact OG-CB 3.13Å; S22-E24 PolarHBondContact OG-N 2.77Å; S22-E24 PolarHBondContact OG-OE2 2.95Å; S22-S25 PolarHBondContact N-OG 2.75Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 VanDerWaalsContact O-N 3.16Å; S22-S25 PolarHBondContact O-OG 3.46Å; S22-S25 VanDerWaalsContact O-OG 3.12Å; S22-S25 PolarHBondContact OG-N 2.85Å; S22-S25 VanDerWaalsContact OG-N 3.08Å; S22-L26 WeakPolarHBondContact O-CG 3.3Å; S22-L26 PolarHBondContact O-N 2.86Å | ||
| 23 | A | 96.5 | Very high | 96.7 | Very high | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.6 | -35.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | K27 | A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.15Å; A23-K27 PolarHBondContact O-N 3.17Å |
| 24 | E | 97.9 | Very high | 97 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 64% | 0.64 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.8 | -41.8 | 175.3 | -56.7 | 70.8 | -153.7 | 0 | 0 | 111.9 | S22 K27 F28 | S22-E24 WeakPolarHBondContact CB-OE2 3.34Å; S22-E24 PolarHBondContact O-N 3Å; S22-E24 WeakPolarHBondContact OG-CB 3.13Å; S22-E24 PolarHBondContact OG-N 2.77Å; S22-E24 PolarHBondContact OG-OE2 2.95Å; E24-K27 PolarHBondContact O-N 3.4Å; E24-F28 VanDerWaalsContact O-CB 3.23Å; E24-F28 WeakPolarHBondContact O-CB 3.36Å; E24-F28 PolarHBondContact O-N 3.16Å |
| 25 | S | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 178.1 | 81.9 | 0 | 0 | 0 | 0 | 111.8 | S22 F28 A29 E81 | S22-S25 PolarHBondContact N-OG 2.75Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 VanDerWaalsContact O-N 3.16Å; S22-S25 PolarHBondContact O-OG 3.46Å; S22-S25 VanDerWaalsContact O-OG 3.12Å; S22-S25 PolarHBondContact OG-N 2.85Å; S22-S25 VanDerWaalsContact OG-N 3.08Å; S25-F28 WeakPolarHBondContact O-CB 3.27Å; S25-F28 PolarHBondContact O-N 3.29Å; S25-A29 WeakPolarHBondContact O-CB 3.39Å; S25-A29 PolarHBondContact O-N 3.18Å; S25-E81 PolarHBondContact OG-O 2.8Å |
| 26 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.1 | -65.4 | 177.2 | 0 | 0 | 0 | 111.7 | L9 Y11 F16 S22 A29 Q30 E81 F102 | L9-L26 HydrophobicContact CD2-CD1 3.66Å; L9-L26 HydrophobicContact CG-CD1 4.47Å; Y11-L26 VanDerWaalsContact CB-CD1 3.44Å; Y11-L26 HydrophobicContact CD1-CB 4.25Å; Y11-L26 HydrophobicContact CD1-CD1 3.86Å; Y11-L26 HydrophobicContact CD2-CB 4.43Å; Y11-L26 HydrophobicContact CD2-CD1 3.9Å; Y11-L26 HydrophobicContact CE1-CB 4.17Å; Y11-L26 HydrophobicContact CE2-CB 4.36Å; Y11-L26 HydrophobicContact CG-CB 4.38Å; Y11-L26 HydrophobicContact CG-CD1 3.47Å; Y11-L26 VanDerWaalsContact CG-CD1 3.47Å; F16-L26 HydrophobicContact CD1-CD2 3.97Å; F16-L26 HydrophobicContact CD2-CD1 3.91Å; F16-L26 HydrophobicContact CE1-CD2 3.99Å; F16-L26 HydrophobicContact CE2-CD1 4.21Å; F16-L26 HydrophobicContact CG-CD1 4.15Å; F16-L26 HydrophobicContact CG-CD2 4.27Å; F16-L26 HydrophobicContact CZ-CD2 4.29Å; S22-L26 WeakPolarHBondContact O-CG 3.3Å; S22-L26 PolarHBondContact O-N 2.86Å; L26-A29 WeakPolarHBondContact O-CB 3.18Å; L26-A29 PolarHBondContact O-N 2.89Å; L26-Q30 WeakPolarHBondContact O-CG 3.15Å; L26-Q30 PolarHBondContact O-N 3.01Å; L26-E81 HydrophobicContact CD2-CB 4.16Å; L26-F102 HydrophobicContact CD2-CE1 3.9Å; L26-F102 HydrophobicContact CD2-CZ 3.88Å |
| 27 | K | 97.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 58 Ų | 58 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 172.8 | -176.6 | 178.7 | 175.6 | -177.3 | 0 | 111.5 | A23 E24 A29 Q30 E31 | A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.15Å; A23-K27 PolarHBondContact O-N 3.17Å; E24-K27 PolarHBondContact O-N 3.4Å; K27-A29 VanDerWaalsContact C-N 3.27Å; K27-A29 PolarHBondContact O-N 3.23Å; K27-Q30 PolarHBondContact O-N 3.12Å; K27-Q30 VanDerWaalsContact O-N 3.12Å; K27-E31 WeakPolarHBondContact CE-OE1 3.19Å; K27-E31 IonicContact NZ-OE1 3.83Å; K27-E31 PolarHBondContact O-N 3.47Å |
| 28 | F | 97.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 57.7 Ų | 57.7 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.6 | -43 | 175.8 | -179.3 | -92 | 0 | 0 | 0 | 111.2 | E24 S25 Q30 E31 F32 L85 A86 | E24-F28 VanDerWaalsContact O-CB 3.23Å; E24-F28 WeakPolarHBondContact O-CB 3.36Å; E24-F28 PolarHBondContact O-N 3.16Å; S25-F28 WeakPolarHBondContact O-CB 3.27Å; S25-F28 PolarHBondContact O-N 3.29Å; F28-Q30 PolarHBondContact O-N 3.47Å; F28-E31 CarbonylContact O-C 3.55Å; F28-E31 PolarHBondContact O-N 3.15Å; F28-F32 AromaticContact CE1-CD2 3.92Å; F28-F32 HydrophobicContact CE1-CD2 3.92Å; F28-F32 HydrophobicContact CE1-CE2 4.45Å; F28-F32 HydrophobicContact CZ-CD2 4.29Å; F28-F32 WeakPolarHBondContact O-CA 3.18Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.19Å; F28-L85 HydrophobicContact CD1-CD2 4.05Å; F28-L85 HydrophobicContact CE1-CB 4.47Å; F28-L85 HydrophobicContact CE1-CD2 3.67Å; F28-L85 HydrophobicContact CE1-CG 3.98Å; F28-A86 HydrophobicContact CD1-CB 4.43Å; F28-A86 HydrophobicContact CE1-CB 4.16Å; F28-A86 HydrophobicContact CE2-CB 4.27Å; F28-A86 HydrophobicContact CZ-CB 4.08Å |
| 29 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S25 L26 K27 F32 L80 F102 P108 | S25-A29 WeakPolarHBondContact O-CB 3.39Å; S25-A29 PolarHBondContact O-N 3.18Å; L26-A29 WeakPolarHBondContact O-CB 3.18Å; L26-A29 PolarHBondContact O-N 2.89Å; K27-A29 VanDerWaalsContact C-N 3.27Å; K27-A29 PolarHBondContact O-N 3.23Å; A29-F32 VanDerWaalsContact O-CB 3.28Å; A29-F32 WeakPolarHBondContact O-CB 3.48Å; A29-F32 PolarHBondContact O-N 3.26Å; A29-L80 HydrophobicContact CB-CG 4.28Å; A29-L80 WeakPolarHBondContact CB-O 3.37Å; A29-F102 HydrophobicContact CB-CE2 3.77Å; A29-F102 HydrophobicContact CB-CZ 3.99Å; A29-P108 WeakPolarHBondContact O-CB 3.46Å |
| 30 | Q | 95.9 | Very high | 97.7 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.3 | -25 | 177.8 | -72.8 | -173.9 | -32.9 | 0 | 0 | 113.5 | Y11 Q12 L26 K27 F28 P108 P109 | Y11-Q30 PolarHBondContact OH-OE1 3.34Å; Q12-Q30 VanDerWaalsContact OE1-NE2 3.16Å; L26-Q30 WeakPolarHBondContact O-CG 3.15Å; L26-Q30 PolarHBondContact O-N 3.01Å; K27-Q30 PolarHBondContact O-N 3.12Å; K27-Q30 VanDerWaalsContact O-N 3.12Å; F28-Q30 PolarHBondContact O-N 3.47Å; Q30-P108 WeakPolarHBondContact O-CA 3.39Å; Q30-P108 WeakPolarHBondContact O-CB 3.39Å; Q30-P109 WeakPolarHBondContact O-CD 3.29Å |
| 31 | E | 97.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.593 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -94.3 | -3.6 | 174.4 | -66.6 | 175.5 | 176.7 | 0 | 0 | 112.5 | K27 F28 T33 | K27-E31 WeakPolarHBondContact CE-OE1 3.19Å; K27-E31 IonicContact NZ-OE1 3.83Å; K27-E31 PolarHBondContact O-N 3.47Å; F28-E31 CarbonylContact O-C 3.55Å; F28-E31 PolarHBondContact O-N 3.15Å; E31-T33 PolarHBondContact O-N 3.17Å |
| 32 | F | 98.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | trans | -62 | 131.1 | -174.2 | -174.9 | -106.4 | 0 | 0 | 0 | 111.6 | F28 A29 L34 L80 L85 V89 L98 P108 S110 | F28-F32 AromaticContact CE1-CD2 3.92Å; F28-F32 HydrophobicContact CE1-CD2 3.92Å; F28-F32 HydrophobicContact CE1-CE2 4.45Å; F28-F32 HydrophobicContact CZ-CD2 4.29Å; F28-F32 WeakPolarHBondContact O-CA 3.18Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.19Å; A29-F32 VanDerWaalsContact O-CB 3.28Å; A29-F32 WeakPolarHBondContact O-CB 3.48Å; A29-F32 PolarHBondContact O-N 3.26Å; F32-L34 HydrophobicContact CD1-CD2 4.1Å; F32-L34 HydrophobicContact CD1-CG 4.03Å; F32-L34 HydrophobicContact CE1-CD2 3.81Å; F32-L34 HydrophobicContact CE1-CG 4.17Å; F32-L34 PolarHBondContact O-N 3.48Å; F32-L80 HydrophobicContact CB-CD1 4.12Å; F32-L80 HydrophobicContact CD1-CD1 3.51Å; F32-L80 HydrophobicContact CE1-CD1 4.04Å; F32-L80 HydrophobicContact CG-CD1 3.85Å; F32-L85 HydrophobicContact CD2-CD2 4.03Å; F32-L85 HydrophobicContact CE2-CD2 4.11Å; F32-L85 HydrophobicContact CG-CD2 4.47Å; F32-V89 HydrophobicContact CE2-CB 4.49Å; F32-V89 HydrophobicContact CE2-CG1 4.41Å; F32-V89 HydrophobicContact CE2-CG2 3.63Å; F32-V89 HydrophobicContact CZ-CG2 3.63Å; F32-L98 HydrophobicContact CE1-CD1 3.84Å; F32-L98 HydrophobicContact CZ-CD1 4.23Å; F32-P108 HydrophobicContact CB-CG 4.49Å; F32-P108 WeakPolarHBondContact O-CB 3.4Å; F32-S110 PolarHBondContact O-OG 3.18Å | ||
| 33 | T | 97.8 | Very high | 98 | Very high | 102 Ų | 102 | 44 Ų | 44 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | trans | -91.4 | 105.1 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | E31 R96 | E31-T33 PolarHBondContact O-N 3.17Å; T33-R96 PolarHBondContact O-NH2 3.04Å; T33-R96 VanDerWaalsContact O-NH2 3.13Å | ||
| 34 | L | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | trans | -71.5 | 140.2 | 169.3 | -74.1 | 164.5 | 0 | 0 | 0 | 111 | F32 D38 L40 L98 M107 P108 S110 F111 A116 | F32-L34 HydrophobicContact CD1-CD2 4.1Å; F32-L34 HydrophobicContact CD1-CG 4.03Å; F32-L34 HydrophobicContact CE1-CD2 3.81Å; F32-L34 HydrophobicContact CE1-CG 4.17Å; F32-L34 PolarHBondContact O-N 3.48Å; L34-D38 WeakPolarHBondContact CA-OD2 3.38Å; L34-D38 HydrophobicContact CD2-CB 4.01Å; L34-D38 WeakPolarHBondContact CD2-OD2 3.49Å; L34-L40 HydrophobicContact CD1-CD1 4.44Å; L34-L40 HydrophobicContact CD2-CD1 4.06Å; L34-L40 HydrophobicContact CD2-CD2 4.32Å; L34-L40 HydrophobicContact CD2-CG 4.5Å; L34-L98 HydrophobicContact CD2-CD1 4.07Å; L34-M107 HydrophobicContact CD1-CE 4.43Å; L34-P108 HydrophobicContact CD1-CG 4.04Å; L34-P108 HydrophobicContact CG-CG 4.49Å; L34-S110 PolarHBondContact N-OG 3.25Å; L34-F111 HydrophobicContact CD1-CB 3.64Å; L34-F111 HydrophobicContact CD1-CD2 3.65Å; L34-F111 HydrophobicContact CD1-CG 4.07Å; L34-A116 HydrophobicContact CB-CB 4.45Å | ||
| 35 | K | 97.9 | Very high | 98.1 | Very high | 92 Ų | 92 | 36 Ų | 36 | 40% | 0.4 | 18% | 0.178 | S | C | . | . | trans | -92.1 | 158.4 | 171.4 | -61.8 | 173.9 | -177 | -179.8 | 0 | 109.8 | D37 D38 | K35-D37 WeakPolarHBondContact CB-OD1 3.21Å; K35-D37 PolarHBondContact O-N 2.8Å; K35-D38 PolarHBondContact N-OD2 3.2Å; K35-D38 WeakPolarHBondContact O-CB 3.23Å; K35-D38 PolarHBondContact O-N 2.65Å; K35-D38 VanDerWaalsContact O-N 3.16Å | ||
| 36 | D | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 37 Ų | 37 | 48% | 0.476 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.9 | 179.5 | -80.2 | -5.3 | 0 | 0 | 0 | 113.5 | S114 K115 | D36-S114 WeakPolarHBondContact OD1-CA 3.35Å; D36-K115 HydrophobicContact CB-CB 3.96Å; D36-K115 HydrophobicContact CB-CG 4.48Å; D36-K115 CarbonylContact O-C 3.57Å; D36-K115 PolarHBondContact OD1-N 3.28Å |
| 37 | D | 98 | Very high | 97.9 | Very high | 64 Ų | 64 | 37 Ų | 37 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.1 | 178.3 | 66.4 | -35.2 | 0 | 0 | 0 | 113.5 | K35 S94 P95 | K35-D37 WeakPolarHBondContact CB-OD1 3.21Å; K35-D37 PolarHBondContact O-N 2.8Å; D37-S94 WeakPolarHBondContact OD2-CB 3.24Å; D37-S94 PolarHBondContact OD2-OG 3.39Å; D37-P95 HydrophobicContact CB-CB 4.45Å; D37-P95 WeakPolarHBondContact O-CB 3.49Å |
| 38 | D | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -65.8 | 144.8 | 179 | -71.1 | -23.2 | 0 | 0 | 0 | 112.1 | L34 K35 R96 A116 K117 | L34-D38 WeakPolarHBondContact CA-OD2 3.38Å; L34-D38 HydrophobicContact CD2-CB 4.01Å; L34-D38 WeakPolarHBondContact CD2-OD2 3.49Å; K35-D38 PolarHBondContact N-OD2 3.2Å; K35-D38 WeakPolarHBondContact O-CB 3.23Å; K35-D38 PolarHBondContact O-N 2.65Å; K35-D38 VanDerWaalsContact O-N 3.16Å; D38-R96 WeakPolarHBondContact OD1-CB 3.4Å; D38-R96 IonicContact OD1-CZ 3.51Å; D38-R96 IonicContact OD1-NE 2.75Å; D38-R96 PolarHBondContact OD1-NE 3.24Å; D38-R96 IonicContact OD1-NH2 3.44Å; D38-R96 PolarHBondContact OD1-NH2 2.88Å; D38-R96 IonicContact OD2-CZ 3.43Å; D38-R96 IonicContact OD2-NE 3.46Å; D38-R96 PolarHBondContact OD2-NE 2.97Å; D38-R96 IonicContact OD2-NH2 2.64Å; D38-R96 PolarHBondContact OD2-NH2 3.36Å; D38-A116 HydrophobicContact CB-CB 4.05Å; D38-A116 CarbonylContact O-C 3.54Å; D38-A116 VanDerWaalsContact O-CA 3.3Å; D38-A116 WeakPolarHBondContact O-CA 3.48Å; D38-K117 PolarHBondContact O-N 3.38Å | ||
| 39 | V | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.2 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | L56 L60 R96 L98 K117 L204 | V39-L56 HydrophobicContact CG1-CD1 4.08Å; V39-L56 HydrophobicContact CG1-CD2 4.12Å; V39-L60 HydrophobicContact CB-CD1 4.39Å; V39-L60 HydrophobicContact CG2-CD1 4.38Å; V39-L60 HydrophobicContact CG2-CD2 4.13Å; V39-R96 PolarHBondContact N-O 2.92Å; V39-L98 PolarHBondContact O-N 3.4Å; V39-K117 WeakPolarHBondContact CA-O 3.34Å; V39-L204 HydrophobicContact CB-CD2 4.38Å; V39-L204 HydrophobicContact CG1-CD1 3.98Å; V39-L204 HydrophobicContact CG1-CD2 3.64Å; V39-L204 HydrophobicContact CG1-CG 4.47Å; V39-L204 HydrophobicContact CG2-CD1 4.45Å; V39-L204 HydrophobicContact CG2-CD2 3.75Å |
| 40 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.9 | 177.7 | -57.8 | 98.9 | 0 | 0 | 0 | 110.9 | L34 V42 L80 L98 T100 M107 F111 A116 K117 V118 V119 | L34-L40 HydrophobicContact CD1-CD1 4.44Å; L34-L40 HydrophobicContact CD2-CD1 4.06Å; L34-L40 HydrophobicContact CD2-CD2 4.32Å; L34-L40 HydrophobicContact CD2-CG 4.5Å; L40-V42 HydrophobicContact CB-CG2 4.39Å; L40-L80 HydrophobicContact CD2-CD2 4.4Å; L40-L98 CarbonylContact C-O 3.55Å; L40-L98 VanDerWaalsContact CA-O 3.32Å; L40-L98 WeakPolarHBondContact CA-O 3.39Å; L40-L98 HydrophobicContact CG-CB 4.41Å; L40-T100 HydrophobicContact CD2-CG2 4.42Å; L40-M107 HydrophobicContact CD2-CE 3.68Å; L40-F111 HydrophobicContact CD1-CE2 4.38Å; L40-A116 HydrophobicContact CD1-CB 3.97Å; L40-K117 PolarHBondContact N-O 3.35Å; L40-V118 HydrophobicContact CB-CG2 4.46Å; L40-V118 HydrophobicContact CD1-CG2 4.44Å; L40-V118 CarbonylContact O-C 3.6Å; L40-V118 WeakPolarHBondContact O-CA 3.47Å; L40-V119 PolarHBondContact O-N 3.08Å |
| 41 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 114.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | M52 L56 L98 V99 T100 V119 | A41-M52 HydrophobicContact CB-CB 3.57Å; A41-M52 HydrophobicContact CB-CE 4.32Å; A41-M52 HydrophobicContact CB-CG 3.99Å; A41-L56 HydrophobicContact CB-CD1 3.52Å; A41-L56 HydrophobicContact CB-CG 4.39Å; A41-L98 PolarHBondContact N-O 3.17Å; A41-V99 HydrophobicContact CB-CG1 3.98Å; A41-V99 CarbonylContact O-C 3.55Å; A41-V99 VanDerWaalsContact O-CA 3.24Å; A41-V99 WeakPolarHBondContact O-CA 3.23Å; A41-T100 PolarHBondContact O-N 2.93Å; A41-V119 WeakPolarHBondContact CA-O 3.32Å |
| 42 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.4 | 179.7 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | L40 T100 V118 V119 Y120 V121 W172 | L40-V42 HydrophobicContact CB-CG2 4.39Å; V42-T100 HydrophobicContact CG2-CG2 3.75Å; V42-V118 HydrophobicContact CB-CG1 4.01Å; V42-V118 HydrophobicContact CG2-CG1 3.54Å; V42-V119 PolarHBondContact N-O 3.21Å; V42-Y120 HydrophobicContact CB-CD2 3.92Å; V42-Y120 HydrophobicContact CG1-CD2 3.52Å; V42-Y120 HydrophobicContact CG1-CE2 3.73Å; V42-Y120 WeakPolarHBondContact O-CA 3.33Å; V42-V121 PolarHBondContact O-N 3.16Å; V42-W172 HydrophobicContact CB-CZ2 4.25Å; V42-W172 HydrophobicContact CG1-CD2 3.87Å; V42-W172 HydrophobicContact CG1-CG 4.26Å; V42-W172 HydrophobicContact CG1-CH2 4.28Å; V42-W172 HydrophobicContact CG1-CZ2 3.59Å; V42-W172 HydrophobicContact CG2-CH2 3.58Å; V42-W172 HydrophobicContact CG2-CZ2 3.65Å; V42-W172 HydrophobicContact CG2-CZ3 4.1Å |
| 43 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 142 | -178.1 | 61.8 | 0 | 0 | 0 | 0 | 109.7 | T49 T100 H101 V121 | T43-T49 PolarHBondContact OG1-OG1 3.07Å; T43-T100 PolarHBondContact N-O 3.06Å; T43-T100 VanDerWaalsContact N-O 3.1Å; T43-H101 WeakPolarHBondContact O-CA 2.93Å; T43-H101 PolarHBondContact O-ND1 3.39Å; T43-H101 PolarHBondContact OG1-CE1 3.01Å; T43-H101 PolarHBondContact OG1-ND1 3.43Å; T43-V121 HydrophobicContact CG2-CB 3.8Å; T43-V121 HydrophobicContact CG2-CG2 4.03Å |
| 44 | Y | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | trans | -66.8 | 145.3 | 158.7 | -175.1 | -90.6 | 0 | 0 | 0 | 108.5 | K46 S47 I128 F155 G163 W165 H168 | Y44-K46 PolarHBondContact O-N 3.02Å; Y44-S47 WeakPolarHBondContact O-CB 3.42Å; Y44-S47 PolarHBondContact O-N 2.99Å; Y44-S47 PolarHBondContact O-OG 2.98Å; Y44-I128 HydrophobicContact CD1-CD1 4.18Å; Y44-I128 HydrophobicContact CD1-CG2 3.73Å; Y44-I128 HydrophobicContact CE1-CG2 3.73Å; Y44-F155 AromaticContact CE1-CE2 3.88Å; Y44-F155 HydrophobicContact CE1-CE2 3.88Å; Y44-F155 HydrophobicContact CE1-CZ 4.44Å; Y44-G163 PolarHBondContact OH-O 3.47Å; Y44-W165 HydrophobicContact CD1-CB 4.49Å; Y44-W165 AromaticContact CD1-CD1 3.88Å; Y44-W165 HydrophobicContact CD2-CB 4.27Å; Y44-W165 HydrophobicContact CE1-CB 4.33Å; Y44-W165 HydrophobicContact CE2-CB 4.08Å; Y44-W165 HydrophobicContact CG-CB 4.46Å; Y44-W165 AromaticContact CG-CD1 3.74Å; Y44-H168 HydrophobicContact CD2-CB 3.79Å; Y44-H168 AromaticContact CD2-CG 3.86Å; Y44-H168 HydrophobicContact CE2-CB 4.45Å | ||
| 45 | P | 97.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 16.8 Ų | 16.8 | 8% | 0.078 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | 136 | 179 | -31.1 | 34.8 | 0 | 0 | 0 | 113 | S47 H101 F162 | P45-S47 VanDerWaalsContact C-N 3.3Å; P45-S47 PolarHBondContact O-N 3.01Å; P45-H101 HydrophobicContact CG-CB 4.21Å; P45-F162 HydrophobicContact CG-CB 4.06Å; P45-F162 HydrophobicContact CG-CD2 3.37Å; P45-F162 HydrophobicContact CG-CE2 4.05Å; P45-F162 HydrophobicContact CG-CG 3.92Å |
| 46 | K | 95.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 12.5 Ų | 12.5 | 13% | 0.126 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.2 | -179 | -37.3 | -51.6 | -61.7 | -176.7 | 0 | 115.8 | Y44 R123 F135 | Y44-K46 PolarHBondContact O-N 3.02Å; K46-R123 PolarHBondContact O-NH1 3.31Å; K46-F135 HydrophobicContact CD-CB 4.16Å; K46-F135 HydrophobicContact CD-CD1 3.77Å; K46-F135 HydrophobicContact CD-CE1 4.33Å; K46-F135 HydrophobicContact CD-CG 4.01Å |
| 47 | S | 96.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -90.2 | 5.3 | 175.4 | -50.2 | 0 | 0 | 0 | 0 | 115.4 | Y44 P45 I128 Y186 | Y44-S47 WeakPolarHBondContact O-CB 3.42Å; Y44-S47 PolarHBondContact O-N 2.99Å; Y44-S47 PolarHBondContact O-OG 2.98Å; P45-S47 VanDerWaalsContact C-N 3.3Å; P45-S47 PolarHBondContact O-N 3.01Å; S47-I128 VanDerWaalsContact OG-CD1 3.27Å; S47-I128 WeakPolarHBondContact OG-CD1 3.37Å; S47-Y186 WeakPolarHBondContact O-CD2 3.06Å |
| 48 | G | 93.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 6 Ų | 6 | 12% | 0.124 | 3% | 0.034 | C | C | . | . | S | Bend | trans | 114.2 | 19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I50 W51 M52 | G48-I50 VanDerWaalsContact C-N 3.3Å; G48-I50 PolarHBondContact O-N 3.37Å; G48-W51 WeakPolarHBondContact O-CA 3.45Å; G48-W51 WeakPolarHBondContact O-CB 3.45Å; G48-W51 PolarHBondContact O-N 3.06Å; G48-M52 PolarHBondContact O-N 3.12Å |
| 49 | T | 96.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 6 Ų | 6 | 5% | 0.049 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -51.9 | -44.4 | -177.9 | -33.9 | 0 | 0 | 0 | 0 | 113.5 | T43 W51 M52 Q53 W79 V99 H101 | T43-T49 PolarHBondContact OG1-OG1 3.07Å; T49-W51 PolarHBondContact O-N 2.9Å; T49-M52 CarbonylContact O-C 3.59Å; T49-M52 WeakPolarHBondContact O-CA 3.44Å; T49-M52 WeakPolarHBondContact O-CB 3.35Å; T49-M52 PolarHBondContact O-N 3.01Å; T49-Q53 PolarHBondContact O-N 2.94Å; T49-W79 HydrophobicContact CG2-CZ2 4.02Å; T49-V99 HydrophobicContact CG2-CB 3.83Å; T49-V99 HydrophobicContact CG2-CG1 4.14Å; T49-V99 HydrophobicContact CG2-CG2 3.95Å; T49-H101 PolarHBondContact OG1-CE1 3.23Å |
| 50 | I | 94.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 6.8 Ų | 6.8 | 8% | 0.077 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.5 | -33.4 | -179.7 | -52.8 | -43.4 | 0 | 0 | 0 | 111.3 | G48 M52 Q53 E54 W79 M225 S231 F233 F248 | G48-I50 VanDerWaalsContact C-N 3.3Å; G48-I50 PolarHBondContact O-N 3.37Å; I50-M52 VanDerWaalsContact C-N 3.31Å; I50-M52 PolarHBondContact O-N 2.88Å; I50-Q53 PolarHBondContact O-N 3.24Å; I50-E54 PolarHBondContact O-N 3.47Å; I50-W79 HydrophobicContact CD1-CH2 3.66Å; I50-W79 HydrophobicContact CD1-CZ2 3.84Å; I50-M225 HydrophobicContact CG2-CE 3.94Å; I50-M225 WeakPolarHBondContact O-CE 3.35Å; I50-S231 WeakPolarHBondContact CG2-O 3.45Å; I50-F233 HydrophobicContact CD1-CE2 3.48Å; I50-F233 VanDerWaalsContact CD1-CE2 3.48Å; I50-F233 HydrophobicContact CD1-CZ 3.51Å; I50-F233 HydrophobicContact CG1-CE2 3.73Å; I50-F233 HydrophobicContact CG1-CZ 4.24Å; I50-F233 HydrophobicContact CG2-CE2 4Å; I50-F248 HydrophobicContact CB-CE1 4.34Å; I50-F248 HydrophobicContact CD1-CE1 4.29Å; I50-F248 HydrophobicContact CD1-CZ 4.06Å; I50-F248 HydrophobicContact CG1-CE1 3.36Å; I50-F248 HydrophobicContact CG1-CZ 3.59Å |
| 51 | W | 96.2 | Very high | 97.3 | Very high | 21 Ų | 21 | 9.3 Ų | 9.3 | 8% | 0.08 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 174.1 | -153.7 | 0.3 | 0 | 0 | 0 | 110.9 | G48 T49 E54 I55 Y186 M189 V190 L193 C220 M225 | G48-W51 WeakPolarHBondContact O-CA 3.45Å; G48-W51 WeakPolarHBondContact O-CB 3.45Å; G48-W51 PolarHBondContact O-N 3.06Å; T49-W51 PolarHBondContact O-N 2.9Å; W51-E54 WeakPolarHBondContact O-CB 3.24Å; W51-E54 PolarHBondContact O-N 3.19Å; W51-I55 HydrophobicContact CD2-CD1 4.37Å; W51-I55 HydrophobicContact CG-CD1 3.93Å; W51-I55 VanDerWaalsContact O-CG1 3.27Å; W51-I55 WeakPolarHBondContact O-CG1 3.4Å; W51-I55 PolarHBondContact O-N 3.28Å; W51-Y186 HydrophobicContact CE3-CD2 4.13Å; W51-Y186 AromaticContact CE3-CE2 3.8Å; W51-Y186 HydrophobicContact CE3-CE2 3.8Å; W51-Y186 HydrophobicContact CZ3-CD2 4.26Å; W51-Y186 AromaticContact CZ3-CE2 3.95Å; W51-Y186 HydrophobicContact CZ3-CE2 3.95Å; W51-M189 HydrophobicContact CB-CE 4.29Å; W51-M189 HydrophobicContact CD2-CE 3.54Å; W51-M189 HydrophobicContact CE3-CB 4.08Å; W51-M189 HydrophobicContact CE3-CE 3.54Å; W51-M189 HydrophobicContact CE3-SD 4.28Å; W51-M189 HydrophobicContact CG-CE 3.87Å; W51-M189 VanDerWaalsContact CH2-C 3.49Å; W51-M189 HydrophobicContact CH2-CB 3.69Å; W51-M189 WeakPolarHBondContact CH2-O 3.42Å; W51-M189 HydrophobicContact CZ2-CB 4.44Å; W51-M189 HydrophobicContact CZ3-CB 3.48Å; W51-M189 VanDerWaalsContact CZ3-CB 3.48Å; W51-M189 HydrophobicContact CZ3-CE 4.13Å; W51-V190 HydrophobicContact CH2-CG2 4.09Å; W51-V190 HydrophobicContact CZ3-CG2 3.91Å; W51-L193 HydrophobicContact CH2-CD1 4.35Å; W51-L193 HydrophobicContact CZ2-CB 4.46Å; W51-L193 HydrophobicContact CZ2-CD1 3.61Å; W51-L193 HydrophobicContact CZ2-CD2 3.85Å; W51-L193 HydrophobicContact CZ2-CG 4.16Å; W51-C220 PolarHBondContact NE1-O 2.79Å; W51-M225 HydrophobicContact CG-SD 4.36Å |
| 52 | M | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.3 | -32.4 | 174.7 | -63.2 | -52.9 | -58.3 | 0 | 0 | 113.5 | A41 G48 T49 I50 E54 I55 L56 V119 V121 I184 M189 I200 | A41-M52 HydrophobicContact CB-CB 3.57Å; A41-M52 HydrophobicContact CB-CE 4.32Å; A41-M52 HydrophobicContact CB-CG 3.99Å; G48-M52 PolarHBondContact O-N 3.12Å; T49-M52 CarbonylContact O-C 3.59Å; T49-M52 WeakPolarHBondContact O-CA 3.44Å; T49-M52 WeakPolarHBondContact O-CB 3.35Å; T49-M52 PolarHBondContact O-N 3.01Å; I50-M52 VanDerWaalsContact C-N 3.31Å; I50-M52 PolarHBondContact O-N 2.88Å; M52-E54 PolarHBondContact O-N 3.27Å; M52-I55 HydrophobicContact CE-CG2 4.48Å; M52-I55 PolarHBondContact O-N 3.47Å; M52-I55 HydrophobicContact SD-CD1 4.25Å; M52-L56 HydrophobicContact CE-CD1 4.47Å; M52-L56 HydrophobicContact CE-CD2 3.65Å; M52-L56 HydrophobicContact CE-CG 3.78Å; M52-L56 WeakPolarHBondContact O-CB 3.41Å; M52-L56 PolarHBondContact O-N 3.28Å; M52-V119 HydrophobicContact CE-CB 4.29Å; M52-V119 HydrophobicContact CE-CG1 3.8Å; M52-V121 HydrophobicContact CG-CG2 3.6Å; M52-V121 HydrophobicContact SD-CG2 3.87Å; M52-I184 HydrophobicContact SD-CD1 4.3Å; M52-M189 HydrophobicContact SD-CE 3.74Å; M52-M189 HydrophobicContact SD-SD 4.23Å; M52-I200 HydrophobicContact CE-CD1 4.02Å |
| 53 | Q | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.7 | -18 | 170.8 | -69.3 | -178.6 | -42.4 | 0 | 0 | 112.8 | T49 I50 P57 N73 R76 A77 V99 | T49-Q53 PolarHBondContact O-N 2.94Å; I50-Q53 PolarHBondContact O-N 3.24Å; Q53-P57 WeakPolarHBondContact O-CD 3.19Å; Q53-P57 WeakPolarHBondContact O-CG 3.33Å; Q53-N73 HydrophobicContact CB-CB 4.14Å; Q53-N73 PolarHBondContact OE1-ND2 3.05Å; Q53-R76 PolarHBondContact O-NE 2.86Å; Q53-R76 PolarHBondContact O-NH2 2.91Å; Q53-A77 HydrophobicContact CB-CB 4.06Å; Q53-A77 HydrophobicContact CG-CB 3.88Å; Q53-A77 PolarHBondContact NE2-O 2.74Å; Q53-V99 HydrophobicContact CG-CG1 3.6Å; Q53-V99 HydrophobicContact CG-CG2 4.16Å |
| 54 | E | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -87.8 | -48.2 | 168.4 | -153.4 | 76.7 | 165.4 | 0 | 0 | 111.5 | I50 W51 M52 L58 R76 H219 C220 M225 N228 S231 | I50-E54 PolarHBondContact O-N 3.47Å; W51-E54 WeakPolarHBondContact O-CB 3.24Å; W51-E54 PolarHBondContact O-N 3.19Å; M52-E54 PolarHBondContact O-N 3.27Å; E54-L58 HydrophobicContact CG-CD1 4.32Å; E54-L58 WeakPolarHBondContact O-CD1 3.43Å; E54-L58 VanDerWaalsContact O-CG 3.27Å; E54-L58 WeakPolarHBondContact O-CG 3.48Å; E54-R76 IonicContact OE2-CZ 2.76Å; E54-R76 IonicContact OE2-NH2 2.88Å; E54-R76 PolarHBondContact OE2-NH2 3.48Å; E54-H219 IonicContact OE1-CD2 3.7Å; E54-H219 PolarHBondContact OE1-CD2 3.11Å; E54-H219 IonicContact OE1-NE2 3.24Å; E54-H219 PolarHBondContact OE1-NE2 3.48Å; E54-H219 VanDerWaalsContact OE1-NE2 3.16Å; E54-C220 VanDerWaalsContact CG-SG 3.55Å; E54-M225 HydrophobicContact CB-CE 3.8Å; E54-M225 HydrophobicContact CB-SD 4.13Å; E54-M225 HydrophobicContact CG-CE 4.19Å; E54-M225 HydrophobicContact CG-CG 4.32Å; E54-M225 HydrophobicContact CG-SD 4.26Å; E54-N228 PolarHBondContact OE1-ND2 3.37Å; E54-N228 VanDerWaalsContact OE1-ND2 3.16Å; E54-S231 VanDerWaalsContact CD-OG 3.32Å; E54-S231 PolarHBondContact OE1-OG 2.87Å; E54-S231 WeakPolarHBondContact OE2-CB 3.29Å; E54-S231 PolarHBondContact OE2-OG 3.23Å |
| 55 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.7 | -49.1 | -171.8 | -68.4 | 163.7 | 0 | 0 | 0 | 112.2 | W51 M52 L58 V59 M189 L193 I197 I200 C220 | W51-I55 HydrophobicContact CD2-CD1 4.37Å; W51-I55 HydrophobicContact CG-CD1 3.93Å; W51-I55 VanDerWaalsContact O-CG1 3.27Å; W51-I55 WeakPolarHBondContact O-CG1 3.4Å; W51-I55 PolarHBondContact O-N 3.28Å; M52-I55 HydrophobicContact CE-CG2 4.48Å; M52-I55 PolarHBondContact O-N 3.47Å; M52-I55 HydrophobicContact SD-CD1 4.25Å; I55-L58 PolarHBondContact O-N 3.5Å; I55-V59 HydrophobicContact CG2-CG2 3.93Å; I55-V59 WeakPolarHBondContact O-CG2 3.35Å; I55-V59 PolarHBondContact O-N 3.26Å; I55-M189 HydrophobicContact CD1-CE 3.29Å; I55-L193 HydrophobicContact CD1-CD1 3.92Å; I55-I197 HydrophobicContact CG2-CG1 4.28Å; I55-I200 HydrophobicContact CG2-CD1 4.03Å; I55-C220 HydrophobicContact CG1-CB 4.11Å |
| 56 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | -174.2 | -68.8 | -174.5 | 0 | 0 | 0 | 112.3 | V39 A41 M52 L58 V59 L60 A97 V119 I200 L204 | V39-L56 HydrophobicContact CG1-CD1 4.08Å; V39-L56 HydrophobicContact CG1-CD2 4.12Å; A41-L56 HydrophobicContact CB-CD1 3.52Å; A41-L56 HydrophobicContact CB-CG 4.39Å; M52-L56 HydrophobicContact CE-CD1 4.47Å; M52-L56 HydrophobicContact CE-CD2 3.65Å; M52-L56 HydrophobicContact CE-CG 3.78Å; M52-L56 WeakPolarHBondContact O-CB 3.41Å; M52-L56 PolarHBondContact O-N 3.28Å; L56-L58 VanDerWaalsContact C-N 3.25Å; L56-L58 PolarHBondContact O-N 3.04Å; L56-V59 PolarHBondContact O-N 2.94Å; L56-L60 WeakPolarHBondContact O-CB 3.25Å; L56-L60 VanDerWaalsContact O-CG 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.97Å; L56-A97 HydrophobicContact CB-CB 4.03Å; L56-V119 HydrophobicContact CD2-CG2 4.27Å; L56-I200 HydrophobicContact CD2-CG2 4.12Å; L56-L204 HydrophobicContact CD2-CD1 4.14Å |
| 57 | P | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 10% | 0.104 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 178.5 | -25.6 | 37.6 | 0 | 0 | 0 | 112.8 | Q53 S61 R76 A77 A97 | Q53-P57 WeakPolarHBondContact O-CD 3.19Å; Q53-P57 WeakPolarHBondContact O-CG 3.33Å; P57-S61 WeakPolarHBondContact O-CB 3.23Å; P57-S61 PolarHBondContact O-N 3.23Å; P57-S61 PolarHBondContact O-OG 2.97Å; P57-R76 HydrophobicContact CB-CG 3.84Å; P57-R76 HydrophobicContact CG-CG 3.66Å; P57-A77 HydrophobicContact CG-CB 4.21Å; P57-A97 HydrophobicContact CG-CB 4.16Å |
| 58 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 176.9 | -72.7 | 175.1 | 0 | 0 | 0 | 112.6 | E54 I55 L56 S61 G62 G63 D64 L65 V68 I216 | E54-L58 HydrophobicContact CG-CD1 4.32Å; E54-L58 WeakPolarHBondContact O-CD1 3.43Å; E54-L58 VanDerWaalsContact O-CG 3.27Å; E54-L58 WeakPolarHBondContact O-CG 3.48Å; I55-L58 PolarHBondContact O-N 3.5Å; L56-L58 VanDerWaalsContact C-N 3.25Å; L56-L58 PolarHBondContact O-N 3.04Å; L58-S61 PolarHBondContact O-N 3.4Å; L58-S61 PolarHBondContact O-OG 3.07Å; L58-G62 PolarHBondContact O-N 2.68Å; L58-G63 WeakPolarHBondContact O-CA 3.48Å; L58-G63 PolarHBondContact O-N 3.05Å; L58-D64 VanDerWaalsContact CD2-O 3.3Å; L58-D64 WeakPolarHBondContact CD2-O 3.38Å; L58-L65 HydrophobicContact CD1-CD2 4.47Å; L58-L65 HydrophobicContact CD2-CD2 3.67Å; L58-V68 HydrophobicContact CD1-CG1 4.16Å; L58-V68 HydrophobicContact CD1-CG2 4.41Å; L58-V68 HydrophobicContact CD2-CB 4.47Å; L58-V68 HydrophobicContact CD2-CG1 3.82Å; L58-V68 HydrophobicContact CD2-CG2 3.74Å; L58-V68 HydrophobicContact CG-CG1 3.7Å; L58-V68 HydrophobicContact CG-CG2 4.32Å; L58-I216 HydrophobicContact CB-CD1 3.99Å; L58-I216 HydrophobicContact CB-CG1 4Å; L58-I216 HydrophobicContact CB-CG2 3.95Å; L58-I216 HydrophobicContact CD1-CG2 3.94Å |
| 59 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 177.3 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | I55 L56 S61 G62 I197 I200 L204 Q206 L208 I216 | I55-V59 HydrophobicContact CG2-CG2 3.93Å; I55-V59 WeakPolarHBondContact O-CG2 3.35Å; I55-V59 PolarHBondContact O-N 3.26Å; L56-V59 PolarHBondContact O-N 2.94Å; V59-S61 VanDerWaalsContact C-N 3.31Å; V59-S61 PolarHBondContact O-N 2.78Å; V59-G62 PolarHBondContact O-N 2.87Å; V59-I197 HydrophobicContact CG2-CG2 4.06Å; V59-I200 HydrophobicContact CG1-CG2 4.39Å; V59-I200 HydrophobicContact CG2-CG2 4.47Å; V59-L204 HydrophobicContact CG1-CD1 4.08Å; V59-Q206 HydrophobicContact CG1-CB 4.27Å; V59-Q206 HydrophobicContact CG1-CG 3.95Å; V59-L208 HydrophobicContact CB-CD1 4.33Å; V59-L208 HydrophobicContact CG1-CD1 4.16Å; V59-L208 HydrophobicContact CG2-CD1 4.23Å; V59-I216 HydrophobicContact CG2-CD1 4.33Å |
| 60 | L | 98 | Very high | 96.7 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.2 | -23.2 | -179.5 | -65.1 | 172.8 | 0 | 0 | 0 | 113.7 | V39 L56 P95 A97 L204 Q206 | V39-L60 HydrophobicContact CB-CD1 4.39Å; V39-L60 HydrophobicContact CG2-CD1 4.38Å; V39-L60 HydrophobicContact CG2-CD2 4.13Å; L56-L60 WeakPolarHBondContact O-CB 3.25Å; L56-L60 VanDerWaalsContact O-CG 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.97Å; L60-P95 HydrophobicContact CD1-CB 4.28Å; L60-P95 HydrophobicContact CD2-CB 4.05Å; L60-P95 HydrophobicContact CD2-CG 4.33Å; L60-A97 HydrophobicContact CD1-CB 4Å; L60-L204 HydrophobicContact CD2-CD1 4.17Å; L60-Q206 HydrophobicContact CD2-CG 4.46Å |
| 61 | S | 97 | Very high | 96.7 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 5.6 | 178.1 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | P57 L58 V59 G63 D64 | P57-S61 WeakPolarHBondContact O-CB 3.23Å; P57-S61 PolarHBondContact O-N 3.23Å; P57-S61 PolarHBondContact O-OG 2.97Å; L58-S61 PolarHBondContact O-N 3.4Å; L58-S61 PolarHBondContact O-OG 3.07Å; V59-S61 VanDerWaalsContact C-N 3.31Å; V59-S61 PolarHBondContact O-N 2.78Å; S61-G63 VanDerWaalsContact C-N 3.25Å; S61-G63 PolarHBondContact O-N 2.85Å; S61-D64 PolarHBondContact O-N 3.29Å; S61-D64 PolarHBondContact OG-N 3.01Å; S61-D64 VanDerWaalsContact OG-N 3.12Å; S61-D64 PolarHBondContact OG-O 3.06Å |
| 62 | G | 97 | Very high | 96.7 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 25.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L58 V59 V212 | L58-G62 PolarHBondContact O-N 2.68Å; V59-G62 PolarHBondContact O-N 2.87Å; G62-V212 WeakPolarHBondContact O-CG1 3.34Å |
| 63 | G | 97 | Very high | 96.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 82.7 | 22.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L58 S61 L65 K215 | L58-G63 WeakPolarHBondContact O-CA 3.48Å; L58-G63 PolarHBondContact O-N 3.05Å; S61-G63 VanDerWaalsContact C-N 3.25Å; S61-G63 PolarHBondContact O-N 2.85Å; G63-L65 PolarHBondContact O-N 3.47Å; G63-K215 PolarHBondContact O-NZ 3.25Å |
| 64 | D | 96.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | trans | -68.8 | 116.2 | 169.5 | 178.2 | 14.9 | 0 | 0 | 0 | 110.3 | L58 S61 T66 | L58-D64 VanDerWaalsContact CD2-O 3.3Å; L58-D64 WeakPolarHBondContact CD2-O 3.38Å; S61-D64 PolarHBondContact O-N 3.29Å; S61-D64 PolarHBondContact OG-N 3.01Å; S61-D64 VanDerWaalsContact OG-N 3.12Å; S61-D64 PolarHBondContact OG-O 3.06Å; D64-T66 VanDerWaalsContact C-N 3.29Å; D64-T66 PolarHBondContact O-N 3.21Å; D64-T66 VanDerWaalsContact OD1-CB 3.27Å; D64-T66 WeakPolarHBondContact OD1-CB 3.38Å; D64-T66 PolarHBondContact OD1-N 3.19Å; D64-T66 PolarHBondContact OD1-OG1 3.46Å | ||
| 65 | L | 96.3 | Very high | 96.3 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 18% | 0.183 | 20% | 0.201 | C | C | . | . | trans | -79.3 | -11.4 | -177.4 | -60.4 | -178.4 | 0 | 0 | 0 | 113.1 | L58 G63 R67 V68 Q69 H219 | L58-L65 HydrophobicContact CD1-CD2 4.47Å; L58-L65 HydrophobicContact CD2-CD2 3.67Å; G63-L65 PolarHBondContact O-N 3.47Å; L65-R67 PolarHBondContact O-N 3.05Å; L65-V68 HydrophobicContact CB-CG2 4.16Å; L65-V68 HydrophobicContact CD2-CG2 4.11Å; L65-V68 WeakPolarHBondContact O-CG2 3.24Å; L65-V68 PolarHBondContact O-N 3.39Å; L65-V68 VanDerWaalsContact O-N 3.14Å; L65-Q69 WeakPolarHBondContact O-CG 3.41Å; L65-Q69 PolarHBondContact O-N 2.86Å; L65-Q69 VanDerWaalsContact O-N 3.11Å; L65-H219 HydrophobicContact CD2-CB 4.06Å | ||
| 66 | T | 95.5 | Very high | 96.2 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 48% | 0.479 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.8 | -52.8 | -169.4 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | D64 V68 Q69 T70 | D64-T66 VanDerWaalsContact C-N 3.29Å; D64-T66 PolarHBondContact O-N 3.21Å; D64-T66 VanDerWaalsContact OD1-CB 3.27Å; D64-T66 WeakPolarHBondContact OD1-CB 3.38Å; D64-T66 PolarHBondContact OD1-N 3.19Å; D64-T66 PolarHBondContact OD1-OG1 3.46Å; T66-V68 PolarHBondContact O-N 2.68Å; T66-Q69 PolarHBondContact O-N 2.86Å; T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 WeakPolarHBondContact O-CG2 3.32Å; T66-T70 PolarHBondContact O-N 3.33Å; T66-T70 VanDerWaalsContact O-N 3.13Å; T66-T70 PolarHBondContact O-OG1 2.93Å |
| 67 | R | 93.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 32% | 0.321 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.8 | -32.7 | -179.6 | -69.4 | -172.9 | 69 | 104.4 | -2.4 | 113.1 | L65 Q69 T70 V71 R76 | L65-R67 PolarHBondContact O-N 3.05Å; R67-Q69 PolarHBondContact O-N 2.97Å; R67-T70 PolarHBondContact O-N 2.92Å; R67-V71 PolarHBondContact O-N 3.08Å; R67-V71 VanDerWaalsContact O-N 3.07Å; R67-R76 PolarHBondContact O-NH1 3.01Å |
| 68 | V | 94.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -22.8 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | L58 L65 T66 R76 H219 N228 M230 | L58-V68 HydrophobicContact CD1-CG1 4.16Å; L58-V68 HydrophobicContact CD1-CG2 4.41Å; L58-V68 HydrophobicContact CD2-CB 4.47Å; L58-V68 HydrophobicContact CD2-CG1 3.82Å; L58-V68 HydrophobicContact CD2-CG2 3.74Å; L58-V68 HydrophobicContact CG-CG1 3.7Å; L58-V68 HydrophobicContact CG-CG2 4.32Å; L65-V68 HydrophobicContact CB-CG2 4.16Å; L65-V68 HydrophobicContact CD2-CG2 4.11Å; L65-V68 WeakPolarHBondContact O-CG2 3.24Å; L65-V68 PolarHBondContact O-N 3.39Å; L65-V68 VanDerWaalsContact O-N 3.14Å; T66-V68 PolarHBondContact O-N 2.68Å; V68-R76 VanDerWaalsContact CA-NH1 3.26Å; V68-R76 PolarHBondContact O-NH1 2.92Å; V68-H219 VanDerWaalsContact CG2-NE2 3.33Å; V68-H219 WeakPolarHBondContact CG2-NE2 3.38Å; V68-N228 PolarHBondContact O-ND2 2.88Å; V68-M230 WeakPolarHBondContact O-CB 3.32Å |
| 69 | Q | 94.9 | Very high | 96.2 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 50% | 0.5 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -98.7 | -13.3 | -179.8 | -68 | 175 | -30 | 0 | 0 | 114 | L65 T66 R67 M230 | L65-Q69 WeakPolarHBondContact O-CG 3.41Å; L65-Q69 PolarHBondContact O-N 2.86Å; L65-Q69 VanDerWaalsContact O-N 3.11Å; T66-Q69 PolarHBondContact O-N 2.86Å; R67-Q69 PolarHBondContact O-N 2.97Å; Q69-M230 WeakPolarHBondContact O-CG 3.46Å |
| 70 | T | 94.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 36.3 Ų | 36.3 | 57% | 0.571 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -122.3 | -20 | -172.2 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | T66 R67 | T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 WeakPolarHBondContact O-CG2 3.32Å; T66-T70 PolarHBondContact O-N 3.33Å; T66-T70 VanDerWaalsContact O-N 3.13Å; T66-T70 PolarHBondContact O-OG1 2.93Å; R67-T70 PolarHBondContact O-N 2.92Å |
| 71 | V | 95.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 22% | 0.218 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -119 | 133.4 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | R67 D75 R76 | R67-V71 PolarHBondContact O-N 3.08Å; R67-V71 VanDerWaalsContact O-N 3.07Å; V71-D75 HydrophobicContact CG1-CB 3.62Å; V71-R76 HydrophobicContact CB-CB 4.42Å; V71-R76 HydrophobicContact CG1-CB 4.08Å; V71-R76 PolarHBondContact O-NH1 2.63Å |
| 72 | V | 95.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | trans | -61.8 | 146.3 | 175.5 | -67 | 0 | 0 | 0 | 0 | 111.4 | W74 D75 R76 M230 L235 | V72-W74 VanDerWaalsContact C-N 3.3Å; V72-W74 HydrophobicContact CB-CD2 4.22Å; V72-W74 HydrophobicContact CB-CH2 4.5Å; V72-W74 HydrophobicContact CB-CZ2 3.96Å; V72-W74 HydrophobicContact CG1-CZ2 4.05Å; V72-W74 HydrophobicContact CG2-CD2 4.21Å; V72-W74 HydrophobicContact CG2-CG 4.22Å; V72-W74 HydrophobicContact CG2-CZ2 4.17Å; V72-W74 VanDerWaalsContact CG2-NE1 3.29Å; V72-W74 PolarHBondContact O-N 3.45Å; V72-D75 HydrophobicContact CG2-CB 3.77Å; V72-D75 PolarHBondContact O-N 3.1Å; V72-R76 PolarHBondContact O-N 2.8Å; V72-M230 WeakPolarHBondContact CA-O 3.2Å; V72-M230 HydrophobicContact CG1-SD 3.75Å; V72-L235 HydrophobicContact CG1-CD1 3.83Å | ||
| 73 | N | 94 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.4 | -39.9 | -174.8 | 59.7 | -51.2 | 0 | 0 | 0 | 113.5 | Q53 D75 R76 A77 M230 F233 | Q53-N73 HydrophobicContact CB-CB 4.14Å; Q53-N73 PolarHBondContact OE1-ND2 3.05Å; N73-D75 PolarHBondContact O-N 3.02Å; N73-R76 PolarHBondContact O-N 2.87Å; N73-A77 PolarHBondContact O-N 2.98Å; N73-M230 PolarHBondContact N-O 3.35Å; N73-M230 PolarHBondContact OD1-O 3.2Å; N73-F233 WeakPolarHBondContact ND2-CE2 3.43Å; N73-F233 WeakPolarHBondContact ND2-CZ 3.42Å |
| 74 | W | 94.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 39 Ų | 39 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.6 | -12 | 177.5 | 54.3 | 78.7 | 0 | 0 | 0 | 114.8 | V72 P78 W79 F233 | V72-W74 VanDerWaalsContact C-N 3.3Å; V72-W74 HydrophobicContact CB-CD2 4.22Å; V72-W74 HydrophobicContact CB-CH2 4.5Å; V72-W74 HydrophobicContact CB-CZ2 3.96Å; V72-W74 HydrophobicContact CG1-CZ2 4.05Å; V72-W74 HydrophobicContact CG2-CD2 4.21Å; V72-W74 HydrophobicContact CG2-CG 4.22Å; V72-W74 HydrophobicContact CG2-CZ2 4.17Å; V72-W74 VanDerWaalsContact CG2-NE1 3.29Å; V72-W74 PolarHBondContact O-N 3.45Å; W74-P78 WeakPolarHBondContact O-CA 3.33Å; W74-P78 WeakPolarHBondContact O-CB 3.43Å; W74-W79 HydrophobicContact CB-CE3 4.38Å; W74-W79 HydrophobicContact CB-CZ3 3.85Å; W74-F233 AromaticContact CE3-CD1 3.97Å; W74-F233 HydrophobicContact CE3-CD1 3.97Å; W74-F233 AromaticContact CE3-CE1 3.54Å; W74-F233 HydrophobicContact CE3-CE1 3.54Å; W74-F233 AromaticContact CE3-CZ 3.9Å; W74-F233 HydrophobicContact CE3-CZ 3.9Å; W74-F233 HydrophobicContact CH2-CD1 4.37Å; W74-F233 AromaticContact CZ3-CD1 3.42Å; W74-F233 HydrophobicContact CZ3-CD1 3.42Å; W74-F233 VanDerWaalsContact CZ3-CD1 3.42Å; W74-F233 HydrophobicContact CZ3-CD2 4.41Å; W74-F233 AromaticContact CZ3-CE1 3.51Å; W74-F233 HydrophobicContact CZ3-CE1 3.51Å; W74-F233 HydrophobicContact CZ3-CE2 4.46Å; W74-F233 AromaticContact CZ3-CG 3.89Å; W74-F233 HydrophobicContact CZ3-CG 3.89Å; W74-F233 HydrophobicContact CZ3-CZ 4.05Å |
| 75 | D | 96.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -98 | -29.3 | 170.1 | -74.1 | 3.2 | 0 | 0 | 0 | 112.1 | V71 V72 N73 R84 V88 L92 | V71-D75 HydrophobicContact CG1-CB 3.62Å; V72-D75 HydrophobicContact CG2-CB 3.77Å; V72-D75 PolarHBondContact O-N 3.1Å; N73-D75 PolarHBondContact O-N 3.02Å; D75-R84 IonicContact OD1-CZ 3.16Å; D75-R84 IonicContact OD1-NE 2.68Å; D75-R84 PolarHBondContact OD1-NE 3.34Å; D75-R84 IonicContact OD1-NH2 3.83Å; D75-R84 PolarHBondContact OD1-NH2 2.84Å; D75-R84 IonicContact OD2-CZ 3.8Å; D75-R84 IonicContact OD2-NH2 2.84Å; D75-R84 PolarHBondContact OD2-NH2 3.06Å; D75-V88 HydrophobicContact CB-CG1 4.39Å; D75-L92 VanDerWaalsContact O-CD2 3.25Å; D75-L92 WeakPolarHBondContact O-CD2 3.34Å |
| 76 | R | 95.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.1 | -38.8 | -178.7 | 179.1 | 177.2 | 60.4 | -116.5 | 9.7 | 112.3 | Q53 E54 P57 R67 V68 V71 V72 N73 S231 | Q53-R76 PolarHBondContact O-NE 2.86Å; Q53-R76 PolarHBondContact O-NH2 2.91Å; E54-R76 IonicContact OE2-CZ 2.76Å; E54-R76 IonicContact OE2-NH2 2.88Å; E54-R76 PolarHBondContact OE2-NH2 3.48Å; P57-R76 HydrophobicContact CB-CG 3.84Å; P57-R76 HydrophobicContact CG-CG 3.66Å; R67-R76 PolarHBondContact O-NH1 3.01Å; V68-R76 VanDerWaalsContact CA-NH1 3.26Å; V68-R76 PolarHBondContact O-NH1 2.92Å; V71-R76 HydrophobicContact CB-CB 4.42Å; V71-R76 HydrophobicContact CG1-CB 4.08Å; V71-R76 PolarHBondContact O-NH1 2.63Å; V72-R76 PolarHBondContact O-N 2.8Å; N73-R76 PolarHBondContact O-N 2.87Å; R76-S231 PolarHBondContact NH2-OG 2.96Å |
| 77 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -140.9 | 72.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q53 P57 N73 A97 | Q53-A77 HydrophobicContact CB-CB 4.06Å; Q53-A77 HydrophobicContact CG-CB 3.88Å; Q53-A77 PolarHBondContact NE2-O 2.74Å; P57-A77 HydrophobicContact CG-CB 4.21Å; N73-A77 PolarHBondContact O-N 2.98Å; A77-A97 WeakPolarHBondContact CA-O 3.35Å; A77-A97 HydrophobicContact CB-CB 4.15Å |
| 78 | P | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -65.5 | 156.5 | -172.7 | 28.5 | -36.9 | 0 | 0 | 0 | 112.8 | W74 L85 V88 L92 L98 V99 | W74-P78 WeakPolarHBondContact O-CA 3.33Å; W74-P78 WeakPolarHBondContact O-CB 3.43Å; P78-L85 HydrophobicContact CB-CD1 4.03Å; P78-L85 HydrophobicContact CG-CD1 3.61Å; P78-V88 HydrophobicContact CB-CG2 3.85Å; P78-V88 HydrophobicContact CG-CG2 3.82Å; P78-L92 HydrophobicContact CG-CD1 3.86Å; P78-L98 HydrophobicContact CG-CD2 3.78Å; P78-V99 PolarHBondContact O-N 3.35Å | ||
| 79 | W | 98.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 135.7 | 167.7 | -76.6 | -95 | 0 | 0 | 0 | 110.9 | T49 I50 W74 E81 E82 V99 H101 F233 | T49-W79 HydrophobicContact CG2-CZ2 4.02Å; I50-W79 HydrophobicContact CD1-CH2 3.66Å; I50-W79 HydrophobicContact CD1-CZ2 3.84Å; W74-W79 HydrophobicContact CB-CE3 4.38Å; W74-W79 HydrophobicContact CB-CZ3 3.85Å; W79-E81 PolarHBondContact O-N 3.4Å; W79-E82 HydrophobicContact CB-CB 3.96Å; W79-E82 HydrophobicContact CB-CG 3.61Å; W79-E82 HydrophobicContact CG-CG 4.24Å; W79-V99 CarbonylContact C-O 3.56Å; W79-V99 VanDerWaalsContact CA-O 3.24Å; W79-V99 WeakPolarHBondContact CA-O 3.26Å; W79-V99 HydrophobicContact CB-CG2 4.34Å; W79-V99 HydrophobicContact CD2-CG2 3.66Å; W79-V99 HydrophobicContact CE3-CG2 4.42Å; W79-V99 HydrophobicContact CG-CG2 3.63Å; W79-V99 HydrophobicContact CZ2-CG2 4.31Å; W79-H101 AromaticContact CD1-CD2 3.66Å; W79-H101 AromaticContact CD1-NE2 3.93Å; W79-H101 AromaticContact NE1-CD2 3.34Å; W79-H101 PolarHBondContact NE1-CD2 3.06Å; W79-H101 VanDerWaalsContact NE1-CD2 3.34Å; W79-H101 AromaticContact NE1-CE1 3.98Å; W79-H101 AromaticContact NE1-NE2 3.12Å; W79-H101 PolarHBondContact NE1-NE2 3.47Å; W79-H101 VanDerWaalsContact NE1-NE2 3.12Å; W79-F233 HydrophobicContact CH2-CZ 4.14Å |
| 80 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -60.4 | -36.8 | 179.7 | -178.5 | 62.8 | 0 | 0 | 0 | 111.7 | A29 F32 L40 L85 V99 F102 M107 | A29-L80 HydrophobicContact CB-CG 4.28Å; A29-L80 WeakPolarHBondContact CB-O 3.37Å; F32-L80 HydrophobicContact CB-CD1 4.12Å; F32-L80 HydrophobicContact CD1-CD1 3.51Å; F32-L80 HydrophobicContact CE1-CD1 4.04Å; F32-L80 HydrophobicContact CG-CD1 3.85Å; L40-L80 HydrophobicContact CD2-CD2 4.4Å; L80-L85 HydrophobicContact CD1-CD2 3.87Å; L80-L85 VanDerWaalsContact O-CD2 3.23Å; L80-L85 WeakPolarHBondContact O-CD2 3.17Å; L80-V99 PolarHBondContact N-O 2.84Å; L80-F102 HydrophobicContact CD2-CD2 4.3Å; L80-M107 HydrophobicContact CD2-CE 4.04Å; L80-M107 HydrophobicContact CD2-SD 4.29Å |
| 81 | E | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -91 | -12.6 | -170.2 | 62.6 | -90.8 | -153.5 | 0 | 0 | 115.3 | H21 S25 L26 W79 T100 H101 F102 F162 | H21-E81 PolarHBondContact CD2-O 2.93Å; H21-E81 WeakPolarHBondContact NE2-CG 3.35Å; S25-E81 PolarHBondContact OG-O 2.8Å; L26-E81 HydrophobicContact CD2-CB 4.16Å; W79-E81 PolarHBondContact O-N 3.4Å; E81-T100 WeakPolarHBondContact OE2-CA 3.16Å; E81-T100 VanDerWaalsContact OE2-CB 3.23Å; E81-T100 WeakPolarHBondContact OE2-CB 3.29Å; E81-T100 PolarHBondContact OE2-OG1 3.48Å; E81-H101 WeakPolarHBondContact OE1-CB 3.43Å; E81-H101 IonicContact OE1-CD2 2.59Å; E81-H101 IonicContact OE1-CG 3.86Å; E81-H101 PolarHBondContact OE1-N 3.44Å; E81-F102 HydrophobicContact CB-CD1 3.89Å; E81-F102 HydrophobicContact CB-CE1 3.22Å; E81-F102 HydrophobicContact CB-CE2 3.96Å; E81-F102 HydrophobicContact CB-CZ 3.27Å; E81-F102 HydrophobicContact CG-CD1 4.26Å; E81-F102 HydrophobicContact CG-CE1 3.97Å; E81-F102 HydrophobicContact CG-CZ 4.45Å; E81-F162 HydrophobicContact CG-CE1 4.24Å; E81-F162 HydrophobicContact CG-CZ 4.36Å |
| 82 | E | 98.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -88.3 | 151.8 | -174.2 | -71.8 | -170.3 | 165.5 | 0 | 0 | 112.9 | T20 W79 R84 L85 | T20-E82 WeakPolarHBondContact O-CA 3.07Å; T20-E82 PolarHBondContact OG1-OE1 2.94Å; W79-E82 HydrophobicContact CB-CB 3.96Å; W79-E82 HydrophobicContact CB-CG 3.61Å; W79-E82 HydrophobicContact CG-CG 4.24Å; E82-R84 PolarHBondContact O-N 3.39Å; E82-L85 PolarHBondContact O-N 3.41Å; E82-L85 VanDerWaalsContact O-N 3.08Å |
| 83 | T | 97.7 | Very high | 96.4 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.1 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | T20 L85 | T20-T83 PolarHBondContact O-N 2.64Å; T20-T83 PolarHBondContact O-OG1 3.36Å; T20-T83 VanDerWaalsContact O-OG1 3.05Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.41Å |
| 84 | R | 96.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.4 | -179.2 | -171.7 | 56.6 | 174.7 | 179.2 | -4.8 | 112.9 | D75 E82 A86 Q87 V88 | D75-R84 IonicContact OD1-CZ 3.16Å; D75-R84 IonicContact OD1-NE 2.68Å; D75-R84 PolarHBondContact OD1-NE 3.34Å; D75-R84 IonicContact OD1-NH2 3.83Å; D75-R84 PolarHBondContact OD1-NH2 2.84Å; D75-R84 IonicContact OD2-CZ 3.8Å; D75-R84 IonicContact OD2-NH2 2.84Å; D75-R84 PolarHBondContact OD2-NH2 3.06Å; E82-R84 PolarHBondContact O-N 3.39Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 3.19Å; R84-Q87 WeakPolarHBondContact O-CB 3.26Å; R84-Q87 PolarHBondContact O-N 3.25Å; R84-V88 HydrophobicContact CG-CG1 4.27Å |
| 85 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.1 | -48.8 | -173.8 | -178.2 | 68.8 | 0 | 0 | 0 | 112.1 | F28 F32 P78 L80 E82 T83 Q87 V88 V89 L98 | F28-L85 HydrophobicContact CD1-CD2 4.05Å; F28-L85 HydrophobicContact CE1-CB 4.47Å; F28-L85 HydrophobicContact CE1-CD2 3.67Å; F28-L85 HydrophobicContact CE1-CG 3.98Å; F32-L85 HydrophobicContact CD2-CD2 4.03Å; F32-L85 HydrophobicContact CE2-CD2 4.11Å; F32-L85 HydrophobicContact CG-CD2 4.47Å; P78-L85 HydrophobicContact CB-CD1 4.03Å; P78-L85 HydrophobicContact CG-CD1 3.61Å; L80-L85 HydrophobicContact CD1-CD2 3.87Å; L80-L85 VanDerWaalsContact O-CD2 3.23Å; L80-L85 WeakPolarHBondContact O-CD2 3.17Å; E82-L85 PolarHBondContact O-N 3.41Å; E82-L85 VanDerWaalsContact O-N 3.08Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.41Å; L85-Q87 PolarHBondContact O-N 3.39Å; L85-V88 PolarHBondContact O-N 3.4Å; L85-V88 VanDerWaalsContact O-N 3.07Å; L85-V89 HydrophobicContact CD1-CB 3.81Å; L85-V89 HydrophobicContact CD1-CG2 3.95Å; L85-V89 HydrophobicContact CG-CB 4.1Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 VanDerWaalsContact O-CB 3.29Å; L85-V89 WeakPolarHBondContact O-CB 3.5Å; L85-V89 WeakPolarHBondContact O-CG1 3.49Å; L85-V89 PolarHBondContact O-N 3.32Å; L85-L98 HydrophobicContact CD1-CD2 3.97Å |
| 86 | A | 96.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 45% | 0.446 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -20.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F28 R84 | F28-A86 HydrophobicContact CD1-CB 4.43Å; F28-A86 HydrophobicContact CE1-CB 4.16Å; F28-A86 HydrophobicContact CE2-CB 4.27Å; F28-A86 HydrophobicContact CZ-CB 4.08Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 3.19Å |
| 87 | Q | 96.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -91.3 | -19.8 | -178.1 | -54.7 | 175.5 | 26.5 | 0 | 0 | 113.4 | R84 L85 K91 | R84-Q87 WeakPolarHBondContact O-CB 3.26Å; R84-Q87 PolarHBondContact O-N 3.25Å; L85-Q87 PolarHBondContact O-N 3.39Å; Q87-K91 PolarHBondContact O-NZ 2.82Å |
| 88 | V | 97 | Very high | 96.9 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -123.4 | -23.1 | -168.3 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | D75 P78 R84 L85 D90 K91 L92 | D75-V88 HydrophobicContact CB-CG1 4.39Å; P78-V88 HydrophobicContact CB-CG2 3.85Å; P78-V88 HydrophobicContact CG-CG2 3.82Å; R84-V88 HydrophobicContact CG-CG1 4.27Å; L85-V88 PolarHBondContact O-N 3.4Å; L85-V88 VanDerWaalsContact O-N 3.07Å; V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 2.89Å; V88-K91 WeakPolarHBondContact O-CA 3.39Å; V88-K91 WeakPolarHBondContact O-CB 3.48Å; V88-K91 PolarHBondContact O-N 3.01Å; V88-L92 PolarHBondContact O-N 2.92Å |
| 89 | V | 96 | Very high | 96.9 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -61 | -36.1 | -169 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | F32 L85 K91 L92 | F32-V89 HydrophobicContact CE2-CB 4.49Å; F32-V89 HydrophobicContact CE2-CG1 4.41Å; F32-V89 HydrophobicContact CE2-CG2 3.63Å; F32-V89 HydrophobicContact CZ-CG2 3.63Å; L85-V89 HydrophobicContact CD1-CB 3.81Å; L85-V89 HydrophobicContact CD1-CG2 3.95Å; L85-V89 HydrophobicContact CG-CB 4.1Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 VanDerWaalsContact O-CB 3.29Å; L85-V89 WeakPolarHBondContact O-CB 3.5Å; L85-V89 WeakPolarHBondContact O-CG1 3.49Å; L85-V89 PolarHBondContact O-N 3.32Å; V89-K91 PolarHBondContact O-N 2.82Å; V89-L92 HydrophobicContact CG2-CD1 4.44Å; V89-L92 PolarHBondContact O-N 3.39Å |
| 90 | D | 94.4 | Very high | 96.9 | Very high | 153 Ų | 153 | 41.4 Ų | 41.4 | 82% | 0.818 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -71.2 | -14.5 | 177.9 | -65.2 | -26.8 | 0 | 0 | 0 | 113.2 | V88 | V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 2.89Å |
| 91 | K | 94.4 | Very high | 96.9 | Very high | 159 Ų | 159 | 42.2 Ų | 42.2 | 69% | 0.691 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -97.8 | -3.9 | 179.3 | -55.8 | 168.5 | -174.2 | 152.9 | 0 | 112.2 | Q87 V88 V89 | Q87-K91 PolarHBondContact O-NZ 2.82Å; V88-K91 WeakPolarHBondContact O-CA 3.39Å; V88-K91 WeakPolarHBondContact O-CB 3.48Å; V88-K91 PolarHBondContact O-N 3.01Å; V89-K91 PolarHBondContact O-N 2.82Å |
| 92 | L | 95.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -76.3 | 129.7 | 179.3 | -64.8 | -179 | 0 | 0 | 0 | 110.2 | D75 P78 V88 V89 R96 L98 | D75-L92 VanDerWaalsContact O-CD2 3.25Å; D75-L92 WeakPolarHBondContact O-CD2 3.34Å; P78-L92 HydrophobicContact CG-CD1 3.86Å; V88-L92 PolarHBondContact O-N 2.92Å; V89-L92 HydrophobicContact CG2-CD1 4.44Å; V89-L92 PolarHBondContact O-N 3.39Å; L92-R96 HydrophobicContact CB-CB 4.41Å; L92-R96 HydrophobicContact CB-CG 3.97Å; L92-R96 HydrophobicContact CD1-CB 4.33Å; L92-L98 HydrophobicContact CD1-CD2 3.82Å |
| 93 | P | 93 | Very high | 96.9 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 143.4 | 170.3 | 29.7 | -33.2 | 0 | 0 | 0 | 109.4 | P95 R96 | P93-P95 CarbonylContact O-C 3.39Å; P93-P95 VanDerWaalsContact O-C 3.24Å; P93-R96 PolarHBondContact O-N 3.28Å |
| 94 | S | 95 | Very high | 96.9 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 46% | 0.462 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.4 | 141.3 | 165.7 | -96.4 | 0 | 0 | 0 | 0 | 109.7 | D37 | D37-S94 WeakPolarHBondContact OD2-CB 3.24Å; D37-S94 PolarHBondContact OD2-OG 3.39Å |
| 95 | P | 97 | Very high | 96.8 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | S | Bend | cis | -63.3 | 134 | -8.5 | -25.1 | 37.5 | 0 | 0 | 0 | 113.1 | D37 L60 P93 A97 | D37-P95 HydrophobicContact CB-CB 4.45Å; D37-P95 WeakPolarHBondContact O-CB 3.49Å; L60-P95 HydrophobicContact CD1-CB 4.28Å; L60-P95 HydrophobicContact CD2-CB 4.05Å; L60-P95 HydrophobicContact CD2-CG 4.33Å; P93-P95 CarbonylContact O-C 3.39Å; P93-P95 VanDerWaalsContact O-C 3.24Å; P95-A97 PolarHBondContact O-N 3.47Å |
| 96 | R | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 127 | 179.9 | -54.7 | -177.7 | -70.4 | -174.2 | 3.6 | 109.8 | T33 D38 V39 L92 P93 | T33-R96 PolarHBondContact O-NH2 3.04Å; T33-R96 VanDerWaalsContact O-NH2 3.13Å; D38-R96 WeakPolarHBondContact OD1-CB 3.4Å; D38-R96 IonicContact OD1-CZ 3.51Å; D38-R96 IonicContact OD1-NE 2.75Å; D38-R96 PolarHBondContact OD1-NE 3.24Å; D38-R96 IonicContact OD1-NH2 3.44Å; D38-R96 PolarHBondContact OD1-NH2 2.88Å; D38-R96 IonicContact OD2-CZ 3.43Å; D38-R96 IonicContact OD2-NE 3.46Å; D38-R96 PolarHBondContact OD2-NE 2.97Å; D38-R96 IonicContact OD2-NH2 2.64Å; D38-R96 PolarHBondContact OD2-NH2 3.36Å; V39-R96 PolarHBondContact N-O 2.92Å; L92-R96 HydrophobicContact CB-CB 4.41Å; L92-R96 HydrophobicContact CB-CG 3.97Å; L92-R96 HydrophobicContact CD1-CB 4.33Å; P93-R96 PolarHBondContact O-N 3.28Å |
| 97 | A | 98.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L56 P57 L60 A77 P95 | L56-A97 HydrophobicContact CB-CB 4.03Å; P57-A97 HydrophobicContact CG-CB 4.16Å; L60-A97 HydrophobicContact CD1-CB 4Å; A77-A97 WeakPolarHBondContact CA-O 3.35Å; A77-A97 HydrophobicContact CB-CB 4.15Å; P95-A97 PolarHBondContact O-N 3.47Å |
| 98 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 155.9 | 174.2 | -58.6 | 174.9 | 0 | 0 | 0 | 109.2 | F32 L34 V39 L40 A41 P78 L85 L92 | F32-L98 HydrophobicContact CE1-CD1 3.84Å; F32-L98 HydrophobicContact CZ-CD1 4.23Å; L34-L98 HydrophobicContact CD2-CD1 4.07Å; V39-L98 PolarHBondContact O-N 3.4Å; L40-L98 CarbonylContact C-O 3.55Å; L40-L98 VanDerWaalsContact CA-O 3.32Å; L40-L98 WeakPolarHBondContact CA-O 3.39Å; L40-L98 HydrophobicContact CG-CB 4.41Å; A41-L98 PolarHBondContact N-O 3.17Å; P78-L98 HydrophobicContact CG-CD2 3.78Å; L85-L98 HydrophobicContact CD1-CD2 3.97Å; L92-L98 HydrophobicContact CD1-CD2 3.82Å |
| 99 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 158.8 | 168.8 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | A41 T49 Q53 P78 W79 L80 | A41-V99 HydrophobicContact CB-CG1 3.98Å; A41-V99 CarbonylContact O-C 3.55Å; A41-V99 VanDerWaalsContact O-CA 3.24Å; A41-V99 WeakPolarHBondContact O-CA 3.23Å; T49-V99 HydrophobicContact CG2-CB 3.83Å; T49-V99 HydrophobicContact CG2-CG1 4.14Å; T49-V99 HydrophobicContact CG2-CG2 3.95Å; Q53-V99 HydrophobicContact CG-CG1 3.6Å; Q53-V99 HydrophobicContact CG-CG2 4.16Å; P78-V99 PolarHBondContact O-N 3.35Å; W79-V99 CarbonylContact C-O 3.56Å; W79-V99 VanDerWaalsContact CA-O 3.24Å; W79-V99 WeakPolarHBondContact CA-O 3.26Å; W79-V99 HydrophobicContact CB-CG2 4.34Å; W79-V99 HydrophobicContact CD2-CG2 3.66Å; W79-V99 HydrophobicContact CE3-CG2 4.42Å; W79-V99 HydrophobicContact CG-CG2 3.63Å; W79-V99 HydrophobicContact CZ2-CG2 4.31Å; L80-V99 PolarHBondContact N-O 2.84Å |
| 100 | T | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 152.2 | 172.6 | -173 | 0 | 0 | 0 | 0 | 112.1 | L40 A41 V42 T43 E81 F102 M107 | L40-T100 HydrophobicContact CD2-CG2 4.42Å; A41-T100 PolarHBondContact O-N 2.93Å; V42-T100 HydrophobicContact CG2-CG2 3.75Å; T43-T100 PolarHBondContact N-O 3.06Å; T43-T100 VanDerWaalsContact N-O 3.1Å; E81-T100 WeakPolarHBondContact OE2-CA 3.16Å; E81-T100 VanDerWaalsContact OE2-CB 3.23Å; E81-T100 WeakPolarHBondContact OE2-CB 3.29Å; E81-T100 PolarHBondContact OE2-OG1 3.48Å; T100-F102 WeakPolarHBondContact OG1-CB 3.27Å; T100-F102 PolarHBondContact OG1-N 3.43Å; T100-M107 HydrophobicContact CG2-SD 4.26Å |
| 101 | H | 98.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | trans | -104.8 | 6 | 169 | -64.6 | -51.5 | 0 | 0 | 0 | 112.9 | T43 P45 T49 W79 E81 F162 H168 | T43-H101 WeakPolarHBondContact O-CA 2.93Å; T43-H101 PolarHBondContact O-ND1 3.39Å; T43-H101 PolarHBondContact OG1-CE1 3.01Å; T43-H101 PolarHBondContact OG1-ND1 3.43Å; P45-H101 HydrophobicContact CG-CB 4.21Å; T49-H101 PolarHBondContact OG1-CE1 3.23Å; W79-H101 AromaticContact CD1-CD2 3.66Å; W79-H101 AromaticContact CD1-NE2 3.93Å; W79-H101 AromaticContact NE1-CD2 3.34Å; W79-H101 PolarHBondContact NE1-CD2 3.06Å; W79-H101 VanDerWaalsContact NE1-CD2 3.34Å; W79-H101 AromaticContact NE1-CE1 3.98Å; W79-H101 AromaticContact NE1-NE2 3.12Å; W79-H101 PolarHBondContact NE1-NE2 3.47Å; W79-H101 VanDerWaalsContact NE1-NE2 3.12Å; E81-H101 WeakPolarHBondContact OE1-CB 3.43Å; E81-H101 IonicContact OE1-CD2 2.59Å; E81-H101 IonicContact OE1-CG 3.86Å; E81-H101 PolarHBondContact OE1-N 3.44Å; H101-F162 HydrophobicContact CB-CD1 3.47Å; H101-F162 VanDerWaalsContact CB-CD1 3.47Å; H101-F162 HydrophobicContact CB-CD2 4.03Å; H101-F162 HydrophobicContact CB-CE1 3.33Å; H101-F162 HydrophobicContact CB-CE2 3.9Å; H101-F162 HydrophobicContact CB-CG 3.82Å; H101-F162 HydrophobicContact CB-CZ 3.56Å; H101-F162 VanDerWaalsContact O-CD1 3.29Å; H101-F162 WeakPolarHBondContact O-CD1 3.16Å; H101-H168 PolarHBondContact O-CD2 3.02Å; H101-H168 PolarHBondContact O-NE2 3.31Å | ||
| 102 | F | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | trans | -63.3 | 135.5 | 177.2 | -81.3 | -8.3 | 0 | 0 | 0 | 112.2 | F16 L26 A29 L80 E81 T100 F106 M107 F162 H168 W172 | F16-F102 HydrophobicContact CE1-CD1 4.1Å; F16-F102 AromaticContact CE1-CE1 3.66Å; F16-F102 HydrophobicContact CE1-CE1 3.66Å; F16-F102 HydrophobicContact CZ-CD1 4.49Å; F16-F102 HydrophobicContact CZ-CE1 4.04Å; L26-F102 HydrophobicContact CD2-CE1 3.9Å; L26-F102 HydrophobicContact CD2-CZ 3.88Å; A29-F102 HydrophobicContact CB-CE2 3.77Å; A29-F102 HydrophobicContact CB-CZ 3.99Å; L80-F102 HydrophobicContact CD2-CD2 4.3Å; E81-F102 HydrophobicContact CB-CD1 3.89Å; E81-F102 HydrophobicContact CB-CE1 3.22Å; E81-F102 HydrophobicContact CB-CE2 3.96Å; E81-F102 HydrophobicContact CB-CZ 3.27Å; E81-F102 HydrophobicContact CG-CD1 4.26Å; E81-F102 HydrophobicContact CG-CE1 3.97Å; E81-F102 HydrophobicContact CG-CZ 4.45Å; T100-F102 WeakPolarHBondContact OG1-CB 3.27Å; T100-F102 PolarHBondContact OG1-N 3.43Å; F102-F106 HydrophobicContact CB-CB 3.83Å; F102-F106 HydrophobicContact CD1-CB 4Å; F102-F106 HydrophobicContact CD1-CD1 4.18Å; F102-F106 HydrophobicContact CD1-CG 4.45Å; F102-F106 HydrophobicContact CD2-CB 3.75Å; F102-F106 WeakPolarHBondContact CD2-O 3.35Å; F102-F106 HydrophobicContact CE1-CB 4.42Å; F102-F106 HydrophobicContact CE1-CD1 4.02Å; F102-F106 HydrophobicContact CE2-CB 4.21Å; F102-F106 HydrophobicContact CG-CB 3.62Å; F102-F106 HydrophobicContact CZ-CD1 4.35Å; F102-M107 HydrophobicContact CB-SD 4.26Å; F102-F162 HydrophobicContact CD1-CE1 4.45Å; F102-H168 PolarHBondContact O-NE2 3.32Å; F102-W172 WeakPolarHBondContact O-CZ2 3.33Å; F102-W172 PolarHBondContact O-NE1 3.18Å | ||
| 103 | P | 97.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | trans | -65 | 159.4 | 159.4 | 30.6 | -33.8 | 0 | 0 | 0 | 109.6 | L14 S105 F106 S171 | L14-P103 HydrophobicContact CD1-CG 3.78Å; P103-S105 PolarHBondContact O-N 3.3Å; P103-F106 HydrophobicContact CG-CB 4.39Å; P103-F106 HydrophobicContact CG-CD2 3.61Å; P103-F106 HydrophobicContact CG-CE2 4.14Å; P103-F106 HydrophobicContact CG-CG 4.16Å; P103-F106 PolarHBondContact O-N 3.25Å; P103-S171 WeakPolarHBondContact CB-OG 3.27Å | ||
| 104 | Y | 97.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.3 | -34.4 | -174.1 | 179.4 | -88.3 | 0 | 0 | 0 | 113.5 | F106 M107 F111 R112 S171 W172 N174 L177 | Y104-F106 PolarHBondContact O-N 2.83Å; Y104-M107 WeakPolarHBondContact O-CB 3.29Å; Y104-M107 WeakPolarHBondContact O-CG 3.34Å; Y104-M107 PolarHBondContact O-N 2.75Å; Y104-F111 HydrophobicContact CD2-CE1 4.03Å; Y104-F111 HydrophobicContact CE2-CD1 4.21Å; Y104-F111 AromaticContact CE2-CE1 3.61Å; Y104-F111 HydrophobicContact CE2-CE1 3.61Å; Y104-R112 PolarHBondContact OH-NH1 3.05Å; Y104-S171 WeakPolarHBondContact CB-O 3.31Å; Y104-S171 PolarHBondContact N-OG 2.89Å; Y104-W172 HydrophobicContact CD2-CD2 4.48Å; Y104-W172 AromaticContact CD2-CE3 3.98Å; Y104-W172 HydrophobicContact CD2-CE3 3.98Å; Y104-W172 HydrophobicContact CD2-CH2 4.45Å; Y104-W172 AromaticContact CD2-CZ3 3.96Å; Y104-W172 HydrophobicContact CD2-CZ3 3.96Å; Y104-N174 HydrophobicContact CD2-CB 4.34Å; Y104-N174 WeakPolarHBondContact CE1-ND2 3.47Å; Y104-N174 HydrophobicContact CE2-CB 4.15Å; Y104-N174 PolarHBondContact OH-ND2 2.73Å; Y104-N174 VanDerWaalsContact OH-ND2 3.15Å; Y104-L177 HydrophobicContact CD2-CD1 4.12Å; Y104-L177 HydrophobicContact CE2-CD1 3.95Å; Y104-L177 HydrophobicContact CE2-CD2 4.04Å; Y104-L177 HydrophobicContact CE2-CG 4.04Å |
| 105 | S | 94.9 | Very high | 97.4 | Very high | 82 Ų | 82 | 35.7 Ų | 35.7 | 57% | 0.573 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -64.7 | -21 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | P103 | P103-S105 PolarHBondContact O-N 3.3Š|
| 106 | F | 97 | Very high | 97.5 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -91.1 | -8.1 | 179.9 | -82.7 | -121.7 | 0 | 0 | 0 | 112.9 | Y11 Q12 L14 F16 F102 P103 Y104 | Y11-F106 HydrophobicContact CD1-CE1 4.01Å; Q12-F106 HydrophobicContact CB-CE1 4.1Å; Q12-F106 HydrophobicContact CB-CE2 4.33Å; Q12-F106 HydrophobicContact CB-CZ 3.58Å; L14-F106 HydrophobicContact CB-CZ 4.19Å; L14-F106 HydrophobicContact CD1-CD2 4.19Å; L14-F106 HydrophobicContact CD1-CE1 3.97Å; L14-F106 HydrophobicContact CD1-CE2 3.55Å; L14-F106 HydrophobicContact CD1-CZ 3.42Å; L14-F106 VanDerWaalsContact CD1-CZ 3.42Å; L14-F106 HydrophobicContact CG-CE2 4.13Å; L14-F106 HydrophobicContact CG-CZ 3.75Å; F16-F106 HydrophobicContact CE2-CE1 4.03Å; F16-F106 HydrophobicContact CZ-CD1 4.08Å; F16-F106 AromaticContact CZ-CE1 3.67Å; F16-F106 HydrophobicContact CZ-CE1 3.67Å; F102-F106 HydrophobicContact CB-CB 3.83Å; F102-F106 HydrophobicContact CD1-CB 4Å; F102-F106 HydrophobicContact CD1-CD1 4.18Å; F102-F106 HydrophobicContact CD1-CG 4.45Å; F102-F106 HydrophobicContact CD2-CB 3.75Å; F102-F106 WeakPolarHBondContact CD2-O 3.35Å; F102-F106 HydrophobicContact CE1-CB 4.42Å; F102-F106 HydrophobicContact CE1-CD1 4.02Å; F102-F106 HydrophobicContact CE2-CB 4.21Å; F102-F106 HydrophobicContact CG-CB 3.62Å; F102-F106 HydrophobicContact CZ-CD1 4.35Å; P103-F106 HydrophobicContact CG-CB 4.39Å; P103-F106 HydrophobicContact CG-CD2 3.61Å; P103-F106 HydrophobicContact CG-CE2 4.14Å; P103-F106 HydrophobicContact CG-CG 4.16Å; P103-F106 PolarHBondContact O-N 3.25Å; Y104-F106 PolarHBondContact O-N 2.83Å |
| 107 | M | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62.2 | 141.3 | 178.6 | -66.2 | -57.3 | -65.7 | 0 | 0 | 111.4 | L34 L40 L80 T100 F102 Y104 F111 W172 | L34-M107 HydrophobicContact CD1-CE 4.43Å; L40-M107 HydrophobicContact CD2-CE 3.68Å; L80-M107 HydrophobicContact CD2-CE 4.04Å; L80-M107 HydrophobicContact CD2-SD 4.29Å; T100-M107 HydrophobicContact CG2-SD 4.26Å; F102-M107 HydrophobicContact CB-SD 4.26Å; Y104-M107 WeakPolarHBondContact O-CB 3.29Å; Y104-M107 WeakPolarHBondContact O-CG 3.34Å; Y104-M107 PolarHBondContact O-N 2.75Å; M107-F111 HydrophobicContact CB-CB 4.08Å; M107-F111 HydrophobicContact CB-CD1 3.64Å; M107-F111 HydrophobicContact CB-CE1 4.41Å; M107-F111 HydrophobicContact CB-CG 4.09Å; M107-F111 HydrophobicContact CE-CB 4.31Å; M107-F111 HydrophobicContact CE-CD1 4.1Å; M107-F111 HydrophobicContact CE-CD2 3.96Å; M107-F111 HydrophobicContact CE-CE1 4.42Å; M107-F111 HydrophobicContact CE-CE2 4.31Å; M107-F111 HydrophobicContact CE-CG 3.85Å; M107-F111 HydrophobicContact CG-CD1 3.86Å; M107-F111 HydrophobicContact CG-CE1 4.15Å; M107-F111 HydrophobicContact CG-CG 4.47Å; M107-W172 HydrophobicContact CE-CH2 4.17Å; M107-W172 HydrophobicContact CG-CH2 3.63Å; M107-W172 HydrophobicContact CG-CZ2 3.78Å; M107-W172 HydrophobicContact SD-CH2 3.69Å; M107-W172 HydrophobicContact SD-CZ2 3.72Å |
| 108 | P | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -59.6 | 149.7 | 179.8 | 22.4 | -32.9 | 0 | 0 | 0 | 111.3 | A29 Q30 F32 L34 S110 F111 | A29-P108 WeakPolarHBondContact O-CB 3.46Å; Q30-P108 WeakPolarHBondContact O-CA 3.39Å; Q30-P108 WeakPolarHBondContact O-CB 3.39Å; F32-P108 HydrophobicContact CB-CG 4.49Å; F32-P108 WeakPolarHBondContact O-CB 3.4Å; L34-P108 HydrophobicContact CD1-CG 4.04Å; L34-P108 HydrophobicContact CG-CG 4.49Å; P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.08Å; P108-F111 HydrophobicContact CG-CB 4.43Å; P108-F111 WeakPolarHBondContact O-CB 3.24Å; P108-F111 PolarHBondContact O-N 2.8Å | ||
| 109 | P | 97.2 | Very high | 97.5 | Very high | 96 Ų | 96 | 34.3 Ų | 34.3 | 62% | 0.623 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -52.9 | -34 | 177.5 | -28.4 | 36.4 | 0 | 0 | 0 | 113.8 | Q30 F111 R112 | Q30-P109 WeakPolarHBondContact O-CD 3.29Å; P109-F111 PolarHBondContact O-N 2.97Å; P109-R112 PolarHBondContact O-N 3.13Å; P109-R112 VanDerWaalsContact O-N 3.13Å |
| 110 | S | 97.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -23.9 | 176.9 | 75 | 0 | 0 | 0 | 0 | 113 | F32 L34 P108 R112 T113 S114 | F32-S110 PolarHBondContact O-OG 3.18Å; L34-S110 PolarHBondContact N-OG 3.25Å; P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.08Å; S110-R112 VanDerWaalsContact C-N 3.25Å; S110-R112 PolarHBondContact O-N 3.32Å; S110-T113 PolarHBondContact O-N 3.39Å; S110-T113 PolarHBondContact O-OG1 3.12Å; S110-S114 VanDerWaalsContact O-CB 3.23Å; S110-S114 WeakPolarHBondContact O-CB 3.27Å; S110-S114 PolarHBondContact O-N 3.34Å; S110-S114 PolarHBondContact O-OG 2.97Å; S110-S114 VanDerWaalsContact O-OG 3.14Å |
| 111 | F | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 176.3 | 179.9 | -124.4 | 0 | 0 | 0 | 111.4 | L34 L40 Y104 M107 P108 P109 T113 S114 V118 W172 L177 R180 | L34-F111 HydrophobicContact CD1-CB 3.64Å; L34-F111 HydrophobicContact CD1-CD2 3.65Å; L34-F111 HydrophobicContact CD1-CG 4.07Å; L40-F111 HydrophobicContact CD1-CE2 4.38Å; Y104-F111 HydrophobicContact CD2-CE1 4.03Å; Y104-F111 HydrophobicContact CE2-CD1 4.21Å; Y104-F111 AromaticContact CE2-CE1 3.61Å; Y104-F111 HydrophobicContact CE2-CE1 3.61Å; M107-F111 HydrophobicContact CB-CB 4.08Å; M107-F111 HydrophobicContact CB-CD1 3.64Å; M107-F111 HydrophobicContact CB-CE1 4.41Å; M107-F111 HydrophobicContact CB-CG 4.09Å; M107-F111 HydrophobicContact CE-CB 4.31Å; M107-F111 HydrophobicContact CE-CD1 4.1Å; M107-F111 HydrophobicContact CE-CD2 3.96Å; M107-F111 HydrophobicContact CE-CE1 4.42Å; M107-F111 HydrophobicContact CE-CE2 4.31Å; M107-F111 HydrophobicContact CE-CG 3.85Å; M107-F111 HydrophobicContact CG-CD1 3.86Å; M107-F111 HydrophobicContact CG-CE1 4.15Å; M107-F111 HydrophobicContact CG-CG 4.47Å; P108-F111 HydrophobicContact CG-CB 4.43Å; P108-F111 WeakPolarHBondContact O-CB 3.24Å; P108-F111 PolarHBondContact O-N 2.8Å; P109-F111 PolarHBondContact O-N 2.97Å; F111-T113 VanDerWaalsContact C-N 3.33Å; F111-T113 PolarHBondContact O-N 2.93Å; F111-S114 PolarHBondContact O-OG 3.07Å; F111-V118 HydrophobicContact CE2-CG2 3.67Å; F111-V118 HydrophobicContact CZ-CG2 3.58Å; F111-W172 HydrophobicContact CE1-CH2 4.14Å; F111-W172 AromaticContact CE1-CZ3 3.98Å; F111-W172 HydrophobicContact CE1-CZ3 3.98Å; F111-W172 HydrophobicContact CZ-CH2 4.21Å; F111-W172 AromaticContact CZ-CZ3 3.93Å; F111-W172 HydrophobicContact CZ-CZ3 3.93Å; F111-L177 HydrophobicContact CE1-CD2 3.8Å; F111-L177 HydrophobicContact CZ-CD2 3.61Å; F111-R180 PolarHBondContact O-NH1 2.64Å; F111-R180 PolarHBondContact O-NH2 3.43Å |
| 112 | R | 94.2 | Very high | 97.4 | Very high | 136 Ų | 136 | 33.9 Ų | 33.9 | 51% | 0.513 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.4 | -33.7 | -179.5 | -61.6 | -178.2 | -175.2 | -101 | 3.4 | 112.3 | Y104 P109 S110 E176 | Y104-R112 PolarHBondContact OH-NH1 3.05Å; P109-R112 PolarHBondContact O-N 3.13Å; P109-R112 VanDerWaalsContact O-N 3.13Å; S110-R112 VanDerWaalsContact C-N 3.25Å; S110-R112 PolarHBondContact O-N 3.32Å; R112-E176 IonicContact NH1-OE2 3.87Å |
| 113 | T | 94.8 | Very high | 97.4 | Very high | 120 Ų | 120 | 34.8 Ų | 34.8 | 74% | 0.736 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -94.9 | -23.1 | -176.6 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | S110 F111 | S110-T113 PolarHBondContact O-N 3.39Å; S110-T113 PolarHBondContact O-OG1 3.12Å; F111-T113 VanDerWaalsContact C-N 3.33Å; F111-T113 PolarHBondContact O-N 2.93Å |
| 114 | S | 97 | Very high | 97.3 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -74.8 | 169.4 | 176.1 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | D36 S110 F111 A116 R180 | D36-S114 WeakPolarHBondContact OD1-CA 3.35Å; S110-S114 VanDerWaalsContact O-CB 3.23Å; S110-S114 WeakPolarHBondContact O-CB 3.27Å; S110-S114 PolarHBondContact O-N 3.34Å; S110-S114 PolarHBondContact O-OG 2.97Å; S110-S114 VanDerWaalsContact O-OG 3.14Å; F111-S114 PolarHBondContact O-OG 3.07Å; S114-A116 PolarHBondContact OG-N 3.26Å; S114-R180 PolarHBondContact O-NH1 2.77Å; S114-R180 PolarHBondContact O-NH2 2.9Å; S114-R180 VanDerWaalsContact O-NH2 3.11Å |
| 115 | K | 97.6 | Very high | 97.3 | Very high | 143 Ų | 143 | 34 Ų | 34 | 62% | 0.622 | 18% | 0.178 | S | C | * | . | trans | -97.5 | 10.9 | 168.9 | -60.3 | 178.3 | -176.1 | 172.1 | 0 | 114.1 | D36 K117 | D36-K115 HydrophobicContact CB-CB 3.96Å; D36-K115 HydrophobicContact CB-CG 4.48Å; D36-K115 CarbonylContact O-C 3.57Å; D36-K115 PolarHBondContact OD1-N 3.28Å; K115-K117 PolarHBondContact O-N 3.21Å | ||
| 116 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -50.7 | 136.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L34 D38 L40 S114 R180 | L34-A116 HydrophobicContact CB-CB 4.45Å; D38-A116 HydrophobicContact CB-CB 4.05Å; D38-A116 CarbonylContact O-C 3.54Å; D38-A116 VanDerWaalsContact O-CA 3.3Å; D38-A116 WeakPolarHBondContact O-CA 3.48Å; L40-A116 HydrophobicContact CD1-CB 3.97Å; S114-A116 PolarHBondContact OG-N 3.26Å; A116-R180 PolarHBondContact O-NE 3.21Å; A116-R180 VanDerWaalsContact O-NE 3.12Å; A116-R180 PolarHBondContact O-NH2 2.95Å | ||
| 117 | K | 98.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 150.1 | -177.4 | -72.3 | -172.9 | 174.7 | -178.2 | 0 | 111.5 | D38 V39 L40 K115 R180 F203 L204 H205 | D38-K117 PolarHBondContact O-N 3.38Å; V39-K117 WeakPolarHBondContact CA-O 3.34Å; L40-K117 PolarHBondContact N-O 3.35Å; K115-K117 PolarHBondContact O-N 3.21Å; K117-R180 CarbonylContact C-O 3.54Å; K117-R180 WeakPolarHBondContact CA-O 3.27Å; K117-F203 HydrophobicContact CB-CE1 3.9Å; K117-F203 HydrophobicContact CB-CZ 3.95Å; K117-F203 HydrophobicContact CD-CE1 4.1Å; K117-F203 HydrophobicContact CD-CE2 4.5Å; K117-F203 HydrophobicContact CD-CZ 4.05Å; K117-F203 HydrophobicContact CG-CE1 4.43Å; K117-F203 HydrophobicContact CG-CZ 4.19Å; K117-F203 PolarHBondContact NZ-O 2.67Å; K117-L204 HydrophobicContact CB-CD2 4.12Å; K117-L204 HydrophobicContact CD-CD2 4Å; K117-H205 PolarHBondContact NZ-CD2 2.9Å; K117-H205 PolarHBondContact NZ-NE2 3.24Å |
| 118 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.5 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | L40 V42 F111 W172 R180 I181 L182 F203 | L40-V118 HydrophobicContact CB-CG2 4.46Å; L40-V118 HydrophobicContact CD1-CG2 4.44Å; L40-V118 CarbonylContact O-C 3.6Å; L40-V118 WeakPolarHBondContact O-CA 3.47Å; V42-V118 HydrophobicContact CB-CG1 4.01Å; V42-V118 HydrophobicContact CG2-CG1 3.54Å; F111-V118 HydrophobicContact CE2-CG2 3.67Å; F111-V118 HydrophobicContact CZ-CG2 3.58Å; V118-W172 HydrophobicContact CG1-CE3 4.47Å; V118-W172 HydrophobicContact CG1-CZ3 4.1Å; V118-W172 HydrophobicContact CG2-CZ3 4.12Å; V118-R180 PolarHBondContact N-O 3.21Å; V118-I181 HydrophobicContact CB-CB 4.3Å; V118-I181 HydrophobicContact CB-CD1 4.37Å; V118-I181 HydrophobicContact CB-CG1 4.08Å; V118-I181 HydrophobicContact CG1-CD1 3.95Å; V118-I181 HydrophobicContact CG1-CG1 3.99Å; V118-I181 CarbonylContact O-C 3.48Å; V118-I181 WeakPolarHBondContact O-CA 3.32Å; V118-L182 PolarHBondContact O-N 3.2Å; V118-F203 WeakPolarHBondContact O-CE1 3.46Å; V118-F203 WeakPolarHBondContact O-CZ 3.48Å |
| 119 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 103.4 | 162.6 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | L40 A41 V42 M52 L56 V121 I184 I200 F203 | L40-V119 PolarHBondContact O-N 3.08Å; A41-V119 WeakPolarHBondContact CA-O 3.32Å; V42-V119 PolarHBondContact N-O 3.21Å; M52-V119 HydrophobicContact CE-CB 4.29Å; M52-V119 HydrophobicContact CE-CG1 3.8Å; L56-V119 HydrophobicContact CD2-CG2 4.27Å; V119-V121 HydrophobicContact CG1-CG2 4.48Å; V119-I184 HydrophobicContact CG1-CD1 3.69Å; V119-I184 HydrophobicContact CG1-CG1 4.01Å; V119-I200 HydrophobicContact CG1-CG1 4.36Å; V119-I200 HydrophobicContact CG2-CG2 4.4Å; V119-F203 HydrophobicContact CG2-CD1 4.16Å; V119-F203 HydrophobicContact CG2-CE1 4.02Å |
| 120 | Y | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.7 | 177.4 | -173.1 | -84.3 | 0 | 0 | 0 | 109.7 | V42 M122 H168 V169 W172 L182 F183 I184 | V42-Y120 HydrophobicContact CB-CD2 3.92Å; V42-Y120 HydrophobicContact CG1-CD2 3.52Å; V42-Y120 HydrophobicContact CG1-CE2 3.73Å; V42-Y120 WeakPolarHBondContact O-CA 3.33Å; Y120-M122 HydrophobicContact CD1-CB 4.33Å; Y120-M122 HydrophobicContact CE1-CB 3.93Å; Y120-M122 HydrophobicContact CE1-CG 4Å; Y120-H168 AromaticContact CE2-CE1 3.74Å; Y120-H168 AromaticContact CE2-ND1 3.89Å; Y120-H168 AromaticContact CZ-ND1 3.94Å; Y120-H168 PolarHBondContact OH-ND1 2.9Å; Y120-H168 VanDerWaalsContact OH-ND1 3.09Å; Y120-V169 WeakPolarHBondContact OH-CA 3.4Å; Y120-V169 WeakPolarHBondContact OH-CG2 3.34Å; Y120-W172 HydrophobicContact CD2-CB 3.69Å; Y120-W172 HydrophobicContact CD2-CD2 4.1Å; Y120-W172 AromaticContact CD2-CG 3.67Å; Y120-W172 HydrophobicContact CD2-CG 3.67Å; Y120-W172 HydrophobicContact CE2-CB 3.48Å; Y120-W172 VanDerWaalsContact CE2-CB 3.48Å; Y120-W172 AromaticContact CE2-CD1 3.48Å; Y120-W172 VanDerWaalsContact CE2-CD1 3.48Å; Y120-W172 HydrophobicContact CE2-CD2 4.25Å; Y120-W172 AromaticContact CE2-CG 3.43Å; Y120-W172 HydrophobicContact CE2-CG 3.43Å; Y120-W172 VanDerWaalsContact CE2-CG 3.43Å; Y120-L182 PolarHBondContact N-O 2.82Å; Y120-F183 AromaticContact CD1-CD1 3.65Å; Y120-F183 HydrophobicContact CD1-CD1 3.65Å; Y120-F183 AromaticContact CD1-CE1 3.92Å; Y120-F183 HydrophobicContact CD1-CE1 3.92Å; Y120-F183 AromaticContact CG-CD1 3.92Å; Y120-F183 HydrophobicContact CG-CD1 3.92Å; Y120-F183 AromaticContact CG-CE1 3.92Å; Y120-F183 HydrophobicContact CG-CE1 3.92Å; Y120-I184 PolarHBondContact O-N 2.73Å; Y120-I184 VanDerWaalsContact O-O 3.1Å |
| 121 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.2 | 176.2 | -166.4 | 0 | 0 | 0 | 0 | 110 | V42 T43 M52 V119 I184 M189 | V42-V121 PolarHBondContact O-N 3.16Å; T43-V121 HydrophobicContact CG2-CB 3.8Å; T43-V121 HydrophobicContact CG2-CG2 4.03Å; M52-V121 HydrophobicContact CG-CG2 3.6Å; M52-V121 HydrophobicContact SD-CG2 3.87Å; V119-V121 HydrophobicContact CG1-CG2 4.48Å; V121-I184 WeakPolarHBondContact CA-O 3.41Å; V121-I184 HydrophobicContact CB-CG1 4.4Å; V121-I184 HydrophobicContact CG1-CG1 4.37Å; V121-I184 HydrophobicContact CG2-CD1 3.99Å; V121-I184 HydrophobicContact CG2-CG1 3.91Å; V121-M189 HydrophobicContact CG1-SD 4.09Å |
| 122 | M | 97.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 148.1 | 172.6 | -147.5 | 176.6 | 41.8 | 0 | 0 | 110.2 | Y120 W165 V169 I184 T185 Y186 P286 W287 | Y120-M122 HydrophobicContact CD1-CB 4.33Å; Y120-M122 HydrophobicContact CE1-CB 3.93Å; Y120-M122 HydrophobicContact CE1-CG 4Å; M122-W165 HydrophobicContact CG-CZ2 4.38Å; M122-W165 HydrophobicContact SD-CZ2 4.38Å; M122-V169 HydrophobicContact CG-CG2 4.3Å; M122-V169 HydrophobicContact SD-CG1 3.98Å; M122-V169 HydrophobicContact SD-CG2 4.21Å; M122-I184 PolarHBondContact N-O 3.28Å; M122-T185 HydrophobicContact CE-CG2 4.46Å; M122-T185 CarbonylContact O-C 3.56Å; M122-T185 WeakPolarHBondContact O-CA 3.3Å; M122-Y186 PolarHBondContact O-N 2.68Å; M122-P286 HydrophobicContact CE-CG 3.51Å; M122-W287 HydrophobicContact CB-CH2 4.19Å; M122-W287 HydrophobicContact CE-CH2 3.62Å; M122-W287 HydrophobicContact CE-CZ2 4.2Å; M122-W287 HydrophobicContact CE-CZ3 4.15Å; M122-W287 HydrophobicContact CG-CH2 3.74Å; M122-W287 HydrophobicContact CG-CZ2 4.46Å; M122-W287 HydrophobicContact SD-CH2 4.06Å; M122-W287 HydrophobicContact SD-CZ2 4.42Å |
| 123 | R | 96.9 | Very high | 97 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | trans | -138.2 | 151.8 | 174 | -177.6 | 175.5 | -173.1 | -166.3 | 3.6 | 109.6 | K46 P125 I128 Y186 W287 | K46-R123 PolarHBondContact O-NH1 3.31Å; R123-P125 VanDerWaalsContact O-N 3.16Å; R123-I128 HydrophobicContact CB-CD1 4.03Å; R123-I128 HydrophobicContact CB-CG1 3.96Å; R123-I128 HydrophobicContact CG-CG1 4.08Å; R123-I128 WeakPolarHBondContact O-CD1 3.4Å; R123-Y186 HydrophobicContact CB-CG 4.48Å; R123-Y186 HydrophobicContact CG-CD1 4.2Å; R123-Y186 HydrophobicContact CG-CG 4.01Å; R123-W287 WeakPolarHBondContact O-CH2 3.48Å; R123-W287 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 124 | N | 96.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 6% | 0.059 | 8% | 0.076 | C | C | . | . | trans | -53 | 120.8 | 176.9 | -170.6 | -41.4 | 0 | 0 | 0 | 110.7 | K126 D127 I128 E187 W287 | N124-K126 PolarHBondContact O-N 2.87Å; N124-K126 VanDerWaalsContact O-N 3.14Å; N124-K126 VanDerWaalsContact OD1-CB 3.32Å; N124-K126 WeakPolarHBondContact OD1-CB 3.4Å; N124-K126 PolarHBondContact OD1-N 3.29Å; N124-D127 PolarHBondContact O-N 3.3Å; N124-I128 PolarHBondContact O-N 2.88Å; N124-E187 VanDerWaalsContact CB-OE1 3.29Å; N124-E187 WeakPolarHBondContact CB-OE1 3.41Å; N124-E187 PolarHBondContact N-OE1 3.46Å; N124-W287 HydrophobicContact CB-CD2 3.85Å; N124-W287 HydrophobicContact CB-CE3 4.02Å; N124-W287 HydrophobicContact CB-CG 4.23Å; N124-W287 HydrophobicContact CB-CZ3 4.43Å | ||
| 125 | P | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.7 | -21.5 | -173.4 | 29.9 | -38.1 | 0 | 0 | 0 | 112.6 | R123 I128 L129 W165 F270 W287 | R123-P125 VanDerWaalsContact O-N 3.16Å; P125-I128 PolarHBondContact O-N 3.29Å; P125-L129 PolarHBondContact O-N 3.01Å; P125-W165 HydrophobicContact CB-CD2 3.66Å; P125-W165 HydrophobicContact CB-CE3 3.85Å; P125-W165 HydrophobicContact CB-CG 4.13Å; P125-W165 HydrophobicContact CB-CH2 4.27Å; P125-W165 HydrophobicContact CB-CZ2 4.09Å; P125-W165 HydrophobicContact CB-CZ3 4.15Å; P125-W165 HydrophobicContact CG-CD2 4.25Å; P125-W165 HydrophobicContact CG-CE3 4.08Å; P125-W165 HydrophobicContact CG-CH2 3.79Å; P125-W165 HydrophobicContact CG-CZ2 3.95Å; P125-W165 HydrophobicContact CG-CZ3 3.85Å; P125-F270 HydrophobicContact CB-CE1 4.31Å; P125-F270 HydrophobicContact CB-CZ 3.87Å; P125-F270 HydrophobicContact CG-CE1 4.03Å; P125-F270 HydrophobicContact CG-CZ 4.12Å; P125-W287 VanDerWaalsContact CD-CZ2 3.5Å |
| 126 | K | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 170.9 | -60.6 | -174 | -81.5 | -167.1 | 0 | 111.3 | N124 V130 W258 F262 L267 F270 L289 D290 | N124-K126 PolarHBondContact O-N 2.87Å; N124-K126 VanDerWaalsContact O-N 3.14Å; N124-K126 VanDerWaalsContact OD1-CB 3.32Å; N124-K126 WeakPolarHBondContact OD1-CB 3.4Å; N124-K126 PolarHBondContact OD1-N 3.29Å; K126-V130 PolarHBondContact O-N 3.12Å; K126-W258 HydrophobicContact CB-CB 3.61Å; K126-W258 HydrophobicContact CB-CD2 3.88Å; K126-W258 HydrophobicContact CB-CE3 4.47Å; K126-W258 HydrophobicContact CB-CG 3.46Å; K126-W258 VanDerWaalsContact CB-CG 3.46Å; K126-W258 HydrophobicContact CD-CD2 3.84Å; K126-W258 HydrophobicContact CD-CE3 3.86Å; K126-W258 HydrophobicContact CD-CG 4.39Å; K126-W258 HydrophobicContact CD-CH2 4.28Å; K126-W258 HydrophobicContact CD-CZ2 4.25Å; K126-W258 HydrophobicContact CD-CZ3 4.09Å; K126-W258 VanDerWaalsContact CE-CZ2 3.5Å; K126-W258 HydrophobicContact CG-CD2 4.45Å; K126-W258 HydrophobicContact CG-CG 4.5Å; K126-F262 HydrophobicContact CB-CE2 4.19Å; K126-F262 HydrophobicContact CB-CZ 3.99Å; K126-F262 HydrophobicContact CG-CE1 4.36Å; K126-F262 HydrophobicContact CG-CZ 4.14Å; K126-L267 HydrophobicContact CD-CD1 3.77Å; K126-F270 HydrophobicContact CD-CD1 4.37Å; K126-F270 HydrophobicContact CD-CE1 4.47Å; K126-F270 HydrophobicContact CG-CD1 3.78Å; K126-F270 HydrophobicContact CG-CE1 3.49Å; K126-F270 VanDerWaalsContact CG-CE1 3.49Å; K126-F270 HydrophobicContact CG-CZ 4.06Å; K126-L289 PolarHBondContact NZ-O 3.12Å; K126-D290 PolarHBondContact NZ-O 3.15Å |
| 127 | D | 95.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -73.8 | -32.8 | 175.3 | -79.1 | -41.2 | 0 | 0 | 0 | 112.5 | N124 S131 G256 D257 W258 | N124-D127 PolarHBondContact O-N 3.3Å; D127-S131 VanDerWaalsContact O-CB 3.29Å; D127-S131 WeakPolarHBondContact O-CB 3.32Å; D127-S131 PolarHBondContact O-N 3.48Å; D127-G256 PolarHBondContact OD1-N 2.76Å; D127-G256 WeakPolarHBondContact OD2-CA 3.44Å; D127-G256 PolarHBondContact OD2-N 2.81Å; D127-D257 PolarHBondContact OD1-N 3.27Å; D127-W258 PolarHBondContact OD1-N 3.28Å |
| 128 | I | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 172.5 | -66.2 | 174.9 | 0 | 0 | 0 | 109.8 | Y44 S47 R123 N124 P125 V130 S131 S132 F155 | Y44-I128 HydrophobicContact CD1-CD1 4.18Å; Y44-I128 HydrophobicContact CD1-CG2 3.73Å; Y44-I128 HydrophobicContact CE1-CG2 3.73Å; S47-I128 VanDerWaalsContact OG-CD1 3.27Å; S47-I128 WeakPolarHBondContact OG-CD1 3.37Å; R123-I128 HydrophobicContact CB-CD1 4.03Å; R123-I128 HydrophobicContact CB-CG1 3.96Å; R123-I128 HydrophobicContact CG-CG1 4.08Å; R123-I128 WeakPolarHBondContact O-CD1 3.4Å; N124-I128 PolarHBondContact O-N 2.88Å; P125-I128 PolarHBondContact O-N 3.29Å; I128-V130 PolarHBondContact O-N 3.22Å; I128-S131 CarbonylContact O-C 3.59Å; I128-S131 PolarHBondContact O-N 3.01Å; I128-S132 VanDerWaalsContact O-CB 3.28Å; I128-S132 WeakPolarHBondContact O-CB 3.46Å; I128-S132 PolarHBondContact O-N 3.36Å; I128-F155 HydrophobicContact CG2-CE2 3.81Å; I128-F155 HydrophobicContact CG2-CZ 4.07Å |
| 129 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54.7 | -52.6 | 179 | 175.4 | 65.1 | 0 | 0 | 0 | 111.3 | P125 S131 S132 Y133 F148 F151 M152 F155 F262 F270 | P125-L129 PolarHBondContact O-N 3.01Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.29Å; L129-S132 PolarHBondContact O-N 2.76Å; L129-Y133 WeakPolarHBondContact O-CB 3.38Å; L129-Y133 PolarHBondContact O-N 2.96Å; L129-F148 HydrophobicContact CD2-CE1 4.32Å; L129-F148 HydrophobicContact CD2-CE2 4.3Å; L129-F148 HydrophobicContact CD2-CZ 3.74Å; L129-F148 HydrophobicContact CG-CE2 4.2Å; L129-F148 HydrophobicContact CG-CZ 4.1Å; L129-F151 HydrophobicContact CD1-CD1 3.56Å; L129-F151 HydrophobicContact CD1-CE1 3.77Å; L129-M152 HydrophobicContact CD1-CB 4.49Å; L129-M152 HydrophobicContact CD2-CB 3.84Å; L129-M152 HydrophobicContact CD2-CG 3.67Å; L129-M152 HydrophobicContact CD2-SD 4.4Å; L129-F155 HydrophobicContact CD1-CB 3.55Å; L129-F155 HydrophobicContact CD1-CD1 4.15Å; L129-F155 HydrophobicContact CD1-CD2 4.09Å; L129-F155 HydrophobicContact CD1-CG 3.67Å; L129-F262 HydrophobicContact CD2-CE2 4.13Å; L129-F262 HydrophobicContact CD2-CZ 3.64Å; L129-F270 HydrophobicContact CB-CE2 4.44Å; L129-F270 HydrophobicContact CD2-CD2 4.2Å; L129-F270 HydrophobicContact CD2-CE2 4.06Å |
| 130 | V | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | K126 I128 S132 Y133 Y134 F148 W258 H261 F262 | K126-V130 PolarHBondContact O-N 3.12Å; I128-V130 PolarHBondContact O-N 3.22Å; V130-S132 VanDerWaalsContact C-N 3.26Å; V130-S132 PolarHBondContact O-N 3.32Å; V130-Y133 PolarHBondContact O-N 2.9Å; V130-Y134 HydrophobicContact CG1-CD2 3.98Å; V130-Y134 HydrophobicContact CG1-CE2 3.83Å; V130-Y134 VanDerWaalsContact O-CD2 3.26Å; V130-Y134 WeakPolarHBondContact O-CD2 3.4Å; V130-Y134 PolarHBondContact O-N 2.86Å; V130-F148 HydrophobicContact CG2-CE2 3.96Å; V130-F148 HydrophobicContact CG2-CZ 4.01Å; V130-W258 HydrophobicContact CG2-CB 4.25Å; V130-H261 HydrophobicContact CG2-CB 3.8Å; V130-F262 HydrophobicContact CG2-CD2 4.45Å; V130-F262 HydrophobicContact CG2-CE2 4.06Å |
| 131 | S | 94.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 17 Ų | 17 | 16% | 0.161 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.4 | -31.2 | 179.8 | -169 | 0 | 0 | 0 | 0 | 112.8 | D127 I128 L129 F135 | D127-S131 VanDerWaalsContact O-CB 3.29Å; D127-S131 WeakPolarHBondContact O-CB 3.32Å; D127-S131 PolarHBondContact O-N 3.48Å; I128-S131 CarbonylContact O-C 3.59Å; I128-S131 PolarHBondContact O-N 3.01Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.29Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 2.76Å |
| 132 | S | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -76.5 | -39.9 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | I128 L129 V130 Y134 F135 H136 | I128-S132 VanDerWaalsContact O-CB 3.28Å; I128-S132 WeakPolarHBondContact O-CB 3.46Å; I128-S132 PolarHBondContact O-N 3.36Å; L129-S132 PolarHBondContact O-N 2.76Å; V130-S132 VanDerWaalsContact C-N 3.26Å; V130-S132 PolarHBondContact O-N 3.32Å; S132-Y134 PolarHBondContact O-N 3.35Å; S132-F135 WeakPolarHBondContact O-CA 3.42Å; S132-F135 WeakPolarHBondContact O-CB 3.48Å; S132-F135 PolarHBondContact O-N 3.09Å; S132-H136 PolarHBondContact O-N 3.13Å; S132-H136 PolarHBondContact O-ND1 2.63Å; S132-H136 PolarHBondContact OG-CE1 3.49Å; S132-H136 PolarHBondContact OG-ND1 3.41Å |
| 133 | Y | 95.6 | Very high | 93.7 | Very high | 32 Ų | 32 | 18.7 Ų | 18.7 | 13% | 0.125 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.4 | -53.6 | 175.7 | 177.3 | -103 | 0 | 0 | 0 | 111.5 | L129 V130 F135 H136 Q137 P145 G146 F148 F151 | L129-Y133 WeakPolarHBondContact O-CB 3.38Å; L129-Y133 PolarHBondContact O-N 2.96Å; V130-Y133 PolarHBondContact O-N 2.9Å; Y133-F135 PolarHBondContact O-N 3.32Å; Y133-H136 PolarHBondContact O-N 3.29Å; Y133-Q137 VanDerWaalsContact CE1-NE2 3.26Å; Y133-Q137 VanDerWaalsContact CZ-NE2 3.33Å; Y133-Q137 PolarHBondContact O-N 3.26Å; Y133-Q137 PolarHBondContact OH-NE2 3.2Å; Y133-P145 HydrophobicContact CD2-CB 3.65Å; Y133-P145 HydrophobicContact CD2-CG 4.02Å; Y133-P145 HydrophobicContact CE2-CB 3.82Å; Y133-P145 HydrophobicContact CE2-CG 3.93Å; Y133-G146 WeakPolarHBondContact CE2-O 3.29Å; Y133-G146 PolarHBondContact OH-O 3.34Å; Y133-F148 HydrophobicContact CD1-CD2 4.14Å; Y133-F148 HydrophobicContact CD2-CD2 4.16Å; Y133-F148 HydrophobicContact CE1-CD2 4.49Å; Y133-F148 HydrophobicContact CE2-CB 4.31Å; Y133-F148 AromaticContact CG-CD2 3.95Å; Y133-F148 HydrophobicContact CG-CD2 3.95Å; Y133-F151 VanDerWaalsContact CA-CE1 3.47Å; Y133-F151 HydrophobicContact CD2-CB 3.78Å; Y133-F151 AromaticContact CD2-CD1 3.85Å; Y133-F151 HydrophobicContact CD2-CD1 3.85Å; Y133-F151 AromaticContact CD2-CG 3.83Å; Y133-F151 HydrophobicContact CD2-CG 3.83Å; Y133-F151 HydrophobicContact CE2-CB 4.29Å; Y133-F151 HydrophobicContact CG-CD1 4.29Å; Y133-F151 VanDerWaalsContact N-CE1 3.26Å |
| 134 | Y | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 22.5 Ų | 22.5 | 24% | 0.235 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -25.4 | 176.7 | -74.7 | -68.5 | 0 | 0 | 0 | 113.7 | V130 S132 M138 H261 | V130-Y134 HydrophobicContact CG1-CD2 3.98Å; V130-Y134 HydrophobicContact CG1-CE2 3.83Å; V130-Y134 VanDerWaalsContact O-CD2 3.26Å; V130-Y134 WeakPolarHBondContact O-CD2 3.4Å; V130-Y134 PolarHBondContact O-N 2.86Å; S132-Y134 PolarHBondContact O-N 3.35Å; Y134-M138 PolarHBondContact O-N 3.15Å; Y134-H261 AromaticContact CE2-CD2 3.88Å; Y134-H261 AromaticContact CE2-NE2 3.42Å; Y134-H261 WeakPolarHBondContact CE2-NE2 3.46Å; Y134-H261 AromaticContact CZ-NE2 3.75Å; Y134-H261 PolarHBondContact OH-NE2 3.38Å |
| 135 | F | 92.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 22 Ų | 22 | 13% | 0.127 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.2 | -40.5 | 175.5 | -177.6 | -123.2 | 0 | 0 | 0 | 111.5 | K46 S131 S132 Y133 Q137 M138 A139 F141 L142 M241 F248 | K46-F135 HydrophobicContact CD-CB 4.16Å; K46-F135 HydrophobicContact CD-CD1 3.77Å; K46-F135 HydrophobicContact CD-CE1 4.33Å; K46-F135 HydrophobicContact CD-CG 4.01Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 2.76Å; S132-F135 WeakPolarHBondContact O-CA 3.42Å; S132-F135 WeakPolarHBondContact O-CB 3.48Å; S132-F135 PolarHBondContact O-N 3.09Å; Y133-F135 PolarHBondContact O-N 3.32Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.93Å; F135-M138 HydrophobicContact CD2-CG 4.02Å; F135-M138 HydrophobicContact CD2-SD 3.89Å; F135-M138 HydrophobicContact CE2-SD 4.44Å; F135-M138 WeakPolarHBondContact O-CG 3.28Å; F135-M138 PolarHBondContact O-N 2.98Å; F135-A139 HydrophobicContact CD2-CB 4.36Å; F135-A139 HydrophobicContact CE2-CB 4.07Å; F135-A139 HydrophobicContact CZ-CB 4.17Å; F135-A139 VanDerWaalsContact O-CB 3.26Å; F135-A139 WeakPolarHBondContact O-CB 3.33Å; F135-A139 PolarHBondContact O-N 2.82Å; F135-F141 HydrophobicContact CZ-CE2 4.36Å; F135-F141 AromaticContact CZ-CZ 3.99Å; F135-F141 HydrophobicContact CZ-CZ 3.99Å; F135-L142 HydrophobicContact CD1-CD1 3.51Å; F135-L142 HydrophobicContact CE1-CD1 3.47Å; F135-L142 VanDerWaalsContact CE1-CD1 3.47Å; F135-L142 HydrophobicContact CG-CD1 4.42Å; F135-L142 HydrophobicContact CZ-CD1 4.32Å; F135-M241 HydrophobicContact CE2-CE 4.09Å; F135-M241 HydrophobicContact CZ-CE 4.28Å; F135-F248 HydrophobicContact CD2-CD2 4.35Å; F135-F248 HydrophobicContact CD2-CE2 4.29Å; F135-F248 AromaticContact CE2-CD2 3.95Å; F135-F248 HydrophobicContact CE2-CD2 3.95Å; F135-F248 AromaticContact CE2-CE2 3.69Å; F135-F248 HydrophobicContact CE2-CE2 3.69Å; F135-F248 HydrophobicContact CZ-CE2 4.35Å |
| 136 | H | 92.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -31.2 | 174.4 | -74.5 | 66.1 | 0 | 0 | 0 | 112 | S132 Y133 M138 E143 P145 F151 | S132-H136 PolarHBondContact O-N 3.13Å; S132-H136 PolarHBondContact O-ND1 2.63Å; S132-H136 PolarHBondContact OG-CE1 3.49Å; S132-H136 PolarHBondContact OG-ND1 3.41Å; Y133-H136 PolarHBondContact O-N 3.29Å; H136-M138 VanDerWaalsContact C-N 3.34Å; H136-M138 PolarHBondContact O-N 3.22Å; H136-E143 PolarHBondContact CD2-O 3.21Å; H136-P145 HydrophobicContact CB-CB 3.86Å; H136-P145 HydrophobicContact CB-CG 3.84Å; H136-F151 HydrophobicContact CB-CE2 4.3Å; H136-F151 AromaticContact CD2-CE2 3.81Å; H136-F151 AromaticContact CE1-CE2 3.93Å; H136-F151 AromaticContact CE1-CZ 3.77Å; H136-F151 AromaticContact CG-CE2 3.7Å; H136-F151 AromaticContact CG-CZ 3.97Å; H136-F151 AromaticContact ND1-CE2 3.76Å; H136-F151 AromaticContact ND1-CZ 3.55Å; H136-F151 AromaticContact NE2-CE2 3.96Å |
| 137 | Q | 90.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 27 Ų | 27 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.9 | -33.4 | 173.6 | -66.7 | -174 | -22.6 | 0 | 0 | 113.6 | Y133 F135 P145 K245 | Y133-Q137 VanDerWaalsContact CE1-NE2 3.26Å; Y133-Q137 VanDerWaalsContact CZ-NE2 3.33Å; Y133-Q137 PolarHBondContact O-N 3.26Å; Y133-Q137 PolarHBondContact OH-NE2 3.2Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.93Å; Q137-P145 HydrophobicContact CG-CG 3.59Å; Q137-K245 WeakPolarHBondContact O-CD 3.09Å |
| 138 | M | 88 | Confident | 93.2 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -93 | -31.3 | -176.8 | 73.8 | 172.8 | 70.1 | 0 | 0 | 113.8 | Y134 F135 H136 A140 D242 S246 H247 F248 | Y134-M138 PolarHBondContact O-N 3.15Å; F135-M138 HydrophobicContact CD2-CG 4.02Å; F135-M138 HydrophobicContact CD2-SD 3.89Å; F135-M138 HydrophobicContact CE2-SD 4.44Å; F135-M138 WeakPolarHBondContact O-CG 3.28Å; F135-M138 PolarHBondContact O-N 2.98Å; H136-M138 VanDerWaalsContact C-N 3.34Å; H136-M138 PolarHBondContact O-N 3.22Å; M138-A140 PolarHBondContact O-N 3.38Å; M138-D242 PolarHBondContact O-N 3.03Å; M138-S246 VanDerWaalsContact CE-CB 3.5Å; M138-S246 WeakPolarHBondContact CE-O 3.44Å; M138-S246 VanDerWaalsContact CE-OG 3.23Å; M138-S246 WeakPolarHBondContact CE-OG 3.19Å; M138-H247 WeakPolarHBondContact CE-O 3.48Å; M138-F248 HydrophobicContact SD-CB 4.31Å; M138-F248 HydrophobicContact SD-CD2 4.45Å |
| 139 | A | 89.4 | Confident | 93.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 109.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110 | F135 F141 L142 Y240 | F135-A139 HydrophobicContact CD2-CB 4.36Å; F135-A139 HydrophobicContact CE2-CB 4.07Å; F135-A139 HydrophobicContact CZ-CB 4.17Å; F135-A139 VanDerWaalsContact O-CB 3.26Å; F135-A139 WeakPolarHBondContact O-CB 3.33Å; F135-A139 PolarHBondContact O-N 2.82Å; A139-F141 HydrophobicContact CB-CD1 4.29Å; A139-F141 HydrophobicContact CB-CE1 3.86Å; A139-F141 HydrophobicContact CB-CE2 4.12Å; A139-F141 HydrophobicContact CB-CZ 3.78Å; A139-F141 PolarHBondContact O-N 3.14Å; A139-L142 HydrophobicContact CB-CB 4.35Å; A139-L142 HydrophobicContact CB-CD1 3.86Å; A139-L142 HydrophobicContact CB-CG 3.94Å; A139-L142 PolarHBondContact O-N 3.38Å; A139-Y240 WeakPolarHBondContact CA-O 3.23Å |
| 140 | A | 89.3 | Confident | 93.1 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 53% | 0.529 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M138 L142 E239 Y240 | M138-A140 PolarHBondContact O-N 3.38Å; A140-L142 VanDerWaalsContact C-N 3.28Å; A140-E239 WeakPolarHBondContact CB-O 3.21Å; A140-Y240 PolarHBondContact N-O 3.46Å |
| 141 | F | 89.4 | Confident | 93.2 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4 | 176.4 | 58.2 | -97.3 | 0 | 0 | 0 | 113.6 | P17 E19 F135 A139 M241 | P17-F141 HydrophobicContact CB-CD2 3.96Å; P17-F141 HydrophobicContact CB-CE2 4.45Å; E19-F141 HydrophobicContact CB-CB 3.45Å; E19-F141 VanDerWaalsContact CB-CB 3.45Å; E19-F141 HydrophobicContact CB-CG 3.96Å; E19-F141 HydrophobicContact CG-CB 3.91Å; E19-F141 HydrophobicContact CG-CD1 4.31Å; E19-F141 HydrophobicContact CG-CG 4.22Å; F135-F141 HydrophobicContact CZ-CE2 4.36Å; F135-F141 AromaticContact CZ-CZ 3.99Å; F135-F141 HydrophobicContact CZ-CZ 3.99Å; A139-F141 HydrophobicContact CB-CD1 4.29Å; A139-F141 HydrophobicContact CB-CE1 3.86Å; A139-F141 HydrophobicContact CB-CE2 4.12Å; A139-F141 HydrophobicContact CB-CZ 3.78Å; A139-F141 PolarHBondContact O-N 3.14Å; F141-M241 HydrophobicContact CE1-CE 3.93Å; F141-M241 HydrophobicContact CE1-CG 4.2Å; F141-M241 HydrophobicContact CZ-CE 3.84Å |
| 142 | L | 92 | Very high | 93.3 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -113.9 | 154.6 | 173.1 | -59.8 | -178.4 | 0 | 0 | 0 | 109.9 | Y8 P17 F135 A139 A140 V161 | Y8-L142 HydrophobicContact CE1-CD2 3.78Å; P17-L142 HydrophobicContact CB-CD2 4.34Å; P17-L142 HydrophobicContact CG-CD2 3.95Å; F135-L142 HydrophobicContact CD1-CD1 3.51Å; F135-L142 HydrophobicContact CE1-CD1 3.47Å; F135-L142 VanDerWaalsContact CE1-CD1 3.47Å; F135-L142 HydrophobicContact CG-CD1 4.42Å; F135-L142 HydrophobicContact CZ-CD1 4.32Å; A139-L142 HydrophobicContact CB-CB 4.35Å; A139-L142 HydrophobicContact CB-CD1 3.86Å; A139-L142 HydrophobicContact CB-CG 3.94Å; A139-L142 PolarHBondContact O-N 3.38Å; A140-L142 VanDerWaalsContact C-N 3.28Å; L142-V161 HydrophobicContact CD2-CG1 4.11Å |
| 143 | E | 92.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | trans | -64.3 | 149.5 | 175.3 | 74.6 | 176.2 | 166 | 0 | 0 | 111.3 | L7 Y8 H136 K154 | L7-E143 HydrophobicContact CD1-CB 4.21Å; Y8-E143 HydrophobicContact CE2-CB 4.01Å; Y8-E143 HydrophobicContact CE2-CG 4.02Å; Y8-E143 WeakPolarHBondContact OH-CG 3.23Å; Y8-E143 PolarHBondContact OH-N 3.14Å; H136-E143 PolarHBondContact CD2-O 3.21Å; E143-K154 WeakPolarHBondContact OE1-CD 3.42Å; E143-K154 IonicContact OE1-NZ 2.8Å; E143-K154 PolarHBondContact OE1-NZ 3.37Å; E143-K154 IonicContact OE2-NZ 3.96Å; E143-K154 PolarHBondContact OE2-NZ 2.76Å | ||
| 144 | D | 91.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | trans | -58.4 | 126.4 | 170.8 | -170.4 | -37.6 | 0 | 0 | 0 | 108.9 | G146 | D144-G146 PolarHBondContact O-N 3.34Å; D144-G146 PolarHBondContact OD1-N 3Å | ||
| 145 | P | 93 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -69.4 | -16.1 | -176.7 | 27.4 | -32.7 | 0 | 0 | 0 | 113.2 | Y133 H136 Q137 F151 | Y133-P145 HydrophobicContact CD2-CB 3.65Å; Y133-P145 HydrophobicContact CD2-CG 4.02Å; Y133-P145 HydrophobicContact CE2-CB 3.82Å; Y133-P145 HydrophobicContact CE2-CG 3.93Å; H136-P145 HydrophobicContact CB-CB 3.86Å; H136-P145 HydrophobicContact CB-CG 3.84Å; Q137-P145 HydrophobicContact CG-CG 3.59Å; P145-F151 HydrophobicContact CB-CB 4.19Å; P145-F151 HydrophobicContact CB-CD2 3.41Å; P145-F151 VanDerWaalsContact CB-CD2 3.41Å; P145-F151 HydrophobicContact CB-CE2 3.91Å; P145-F151 HydrophobicContact CB-CG 3.88Å | ||
| 146 | G | 94.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | trans | 68.4 | -142.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y133 D144 | Y133-G146 WeakPolarHBondContact CE2-O 3.29Å; Y133-G146 PolarHBondContact OH-O 3.34Å; D144-G146 PolarHBondContact O-N 3.34Å; D144-G146 PolarHBondContact OD1-N 3Å | ||
| 147 | T | 95.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -73.7 | 158.8 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | E149 E150 F151 | T147-E149 PolarHBondContact O-N 3.06Å; T147-E150 WeakPolarHBondContact CB-OE2 3.3Å; T147-E150 WeakPolarHBondContact CG2-OE2 3.22Å; T147-E150 PolarHBondContact N-OE2 3.46Å; T147-E150 PolarHBondContact O-N 3.47Å; T147-E150 WeakPolarHBondContact OG1-CB 3.16Å; T147-E150 WeakPolarHBondContact OG1-CG 3.41Å; T147-E150 PolarHBondContact OG1-N 2.92Å; T147-E150 PolarHBondContact OG1-OE2 3.04Å; T147-F151 WeakPolarHBondContact O-CB 3.39Å; T147-F151 PolarHBondContact O-N 3.4Å |
| 148 | F | 95.7 | Very high | 94.3 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -35.5 | 176.8 | -174.5 | -101 | 0 | 0 | 0 | 112.7 | L129 V130 Y133 M152 H261 F262 H266 | L129-F148 HydrophobicContact CD2-CE1 4.32Å; L129-F148 HydrophobicContact CD2-CE2 4.3Å; L129-F148 HydrophobicContact CD2-CZ 3.74Å; L129-F148 HydrophobicContact CG-CE2 4.2Å; L129-F148 HydrophobicContact CG-CZ 4.1Å; V130-F148 HydrophobicContact CG2-CE2 3.96Å; V130-F148 HydrophobicContact CG2-CZ 4.01Å; Y133-F148 HydrophobicContact CD1-CD2 4.14Å; Y133-F148 HydrophobicContact CD2-CD2 4.16Å; Y133-F148 HydrophobicContact CE1-CD2 4.49Å; Y133-F148 HydrophobicContact CE2-CB 4.31Å; Y133-F148 AromaticContact CG-CD2 3.95Å; Y133-F148 HydrophobicContact CG-CD2 3.95Å; F148-M152 WeakPolarHBondContact O-CB 3.46Å; F148-M152 PolarHBondContact O-N 2.88Å; F148-H261 HydrophobicContact CE2-CB 4.43Å; F148-H261 HydrophobicContact CZ-CB 4.23Å; F148-F262 HydrophobicContact CE1-CD2 4.17Å; F148-F262 HydrophobicContact CE1-CE2 4.17Å; F148-F262 AromaticContact CZ-CD2 3.97Å; F148-F262 HydrophobicContact CZ-CD2 3.97Å; F148-F262 AromaticContact CZ-CE2 3.68Å; F148-F262 HydrophobicContact CZ-CE2 3.68Å; F148-F262 HydrophobicContact CZ-CZ 4.32Å; F148-H266 AromaticContact CD1-CE1 3.96Å; F148-H266 AromaticContact CD1-ND1 3.81Å; F148-H266 AromaticContact CE1-ND1 3.95Å |
| 149 | E | 96.5 | Very high | 94.6 | Very high | 114 Ų | 114 | 43.1 Ų | 43.1 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.9 | -46.4 | 179.1 | -173.5 | 169.6 | -178.5 | 0 | 0 | 111.9 | T147 F151 M152 E153 H266 | T147-E149 PolarHBondContact O-N 3.06Å; E149-F151 VanDerWaalsContact C-N 3.29Å; E149-F151 PolarHBondContact O-N 3.19Å; E149-M152 WeakPolarHBondContact O-CB 3.47Å; E149-M152 PolarHBondContact O-N 2.96Å; E149-E153 PolarHBondContact O-N 3.07Å; E149-H266 IonicContact OE2-NE2 3.98Å |
| 150 | E | 96.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.9 | -43 | 174.5 | -71.3 | 163.6 | 145.6 | 0 | 0 | 111.4 | T147 E153 K154 | T147-E150 WeakPolarHBondContact CB-OE2 3.3Å; T147-E150 WeakPolarHBondContact CG2-OE2 3.22Å; T147-E150 PolarHBondContact N-OE2 3.46Å; T147-E150 PolarHBondContact O-N 3.47Å; T147-E150 WeakPolarHBondContact OG1-CB 3.16Å; T147-E150 WeakPolarHBondContact OG1-CG 3.41Å; T147-E150 PolarHBondContact OG1-N 2.92Å; T147-E150 PolarHBondContact OG1-OE2 3.04Å; E150-E153 PolarHBondContact O-N 2.87Å; E150-K154 WeakPolarHBondContact O-CG 3.42Å; E150-K154 PolarHBondContact O-N 3.13Å |
| 151 | F | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -37.5 | 177.4 | -169.4 | -104.5 | 0 | 0 | 0 | 112.7 | L129 Y133 H136 P145 T147 E149 K154 F155 I160 | L129-F151 HydrophobicContact CD1-CD1 3.56Å; L129-F151 HydrophobicContact CD1-CE1 3.77Å; Y133-F151 VanDerWaalsContact CA-CE1 3.47Å; Y133-F151 HydrophobicContact CD2-CB 3.78Å; Y133-F151 AromaticContact CD2-CD1 3.85Å; Y133-F151 HydrophobicContact CD2-CD1 3.85Å; Y133-F151 AromaticContact CD2-CG 3.83Å; Y133-F151 HydrophobicContact CD2-CG 3.83Å; Y133-F151 HydrophobicContact CE2-CB 4.29Å; Y133-F151 HydrophobicContact CG-CD1 4.29Å; Y133-F151 VanDerWaalsContact N-CE1 3.26Å; H136-F151 HydrophobicContact CB-CE2 4.3Å; H136-F151 AromaticContact CD2-CE2 3.81Å; H136-F151 AromaticContact CE1-CE2 3.93Å; H136-F151 AromaticContact CE1-CZ 3.77Å; H136-F151 AromaticContact CG-CE2 3.7Å; H136-F151 AromaticContact CG-CZ 3.97Å; H136-F151 AromaticContact ND1-CE2 3.76Å; H136-F151 AromaticContact ND1-CZ 3.55Å; H136-F151 AromaticContact NE2-CE2 3.96Å; P145-F151 HydrophobicContact CB-CB 4.19Å; P145-F151 HydrophobicContact CB-CD2 3.41Å; P145-F151 VanDerWaalsContact CB-CD2 3.41Å; P145-F151 HydrophobicContact CB-CE2 3.91Å; P145-F151 HydrophobicContact CB-CG 3.88Å; T147-F151 WeakPolarHBondContact O-CB 3.39Å; T147-F151 PolarHBondContact O-N 3.4Å; E149-F151 VanDerWaalsContact C-N 3.29Å; E149-F151 PolarHBondContact O-N 3.19Å; F151-K154 PolarHBondContact O-N 2.93Å; F151-F155 WeakPolarHBondContact O-CB 3.44Å; F151-F155 PolarHBondContact O-N 3.17Å; F151-I160 HydrophobicContact CE1-CD1 4.32Å; F151-I160 HydrophobicContact CE2-CD1 3.8Å; F151-I160 HydrophobicContact CZ-CD1 3.43Å; F151-I160 VanDerWaalsContact CZ-CD1 3.43Å |
| 152 | M | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.2 | -178.5 | 179.1 | 68 | 0 | 0 | 111.2 | L129 F148 E149 F155 L156 F262 H266 R269 F270 | L129-M152 HydrophobicContact CD1-CB 4.49Å; L129-M152 HydrophobicContact CD2-CB 3.84Å; L129-M152 HydrophobicContact CD2-CG 3.67Å; L129-M152 HydrophobicContact CD2-SD 4.4Å; F148-M152 WeakPolarHBondContact O-CB 3.46Å; F148-M152 PolarHBondContact O-N 2.88Å; E149-M152 WeakPolarHBondContact O-CB 3.47Å; E149-M152 PolarHBondContact O-N 2.96Å; M152-F155 WeakPolarHBondContact O-CB 3.45Å; M152-F155 PolarHBondContact O-N 2.8Å; M152-L156 HydrophobicContact CG-CD1 3.94Å; M152-L156 HydrophobicContact CG-CG 4.38Å; M152-L156 WeakPolarHBondContact O-CB 3.49Å; M152-L156 VanDerWaalsContact O-CG 3.3Å; M152-L156 WeakPolarHBondContact O-CG 3.47Å; M152-L156 PolarHBondContact O-N 2.58Å; M152-F262 HydrophobicContact SD-CE1 4.47Å; M152-H266 HydrophobicContact CE-CB 4.23Å; M152-H266 HydrophobicContact SD-CB 3.94Å; M152-R269 HydrophobicContact CE-CB 4.42Å; M152-R269 HydrophobicContact CE-CG 4.06Å; M152-F270 HydrophobicContact CG-CD2 4.32Å; M152-F270 HydrophobicContact SD-CB 4.42Å; M152-F270 HydrophobicContact SD-CD2 4.42Å |
| 153 | E | 97.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.4 | -66.4 | -61.5 | 133.3 | 0 | 0 | 111.4 | E149 E150 F155 L156 D157 R269 | E149-E153 PolarHBondContact O-N 3.07Å; E150-E153 PolarHBondContact O-N 2.87Å; E153-F155 VanDerWaalsContact C-N 3.33Å; E153-F155 PolarHBondContact O-N 3.22Å; E153-L156 PolarHBondContact O-N 2.65Å; E153-D157 WeakPolarHBondContact O-CB 3.33Å; E153-D157 PolarHBondContact O-N 3.5Å; E153-R269 WeakPolarHBondContact OE1-CG 3.39Å; E153-R269 IonicContact OE1-CZ 3.45Å; E153-R269 IonicContact OE1-NE 3.17Å; E153-R269 PolarHBondContact OE1-NE 3.42Å; E153-R269 IonicContact OE1-NH2 2.7Å; E153-R269 IonicContact OE2-CZ 3.16Å; E153-R269 IonicContact OE2-NE 2.97Å; E153-R269 PolarHBondContact OE2-NE 3.07Å; E153-R269 IonicContact OE2-NH2 3.33Å; E153-R269 PolarHBondContact OE2-NH2 2.81Å |
| 154 | K | 96.4 | Very high | 96 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 171.9 | -72.4 | -177.1 | -178.4 | -172 | 0 | 112.3 | E143 E150 F151 D157 G158 R159 | E143-K154 WeakPolarHBondContact OE1-CD 3.42Å; E143-K154 IonicContact OE1-NZ 2.8Å; E143-K154 PolarHBondContact OE1-NZ 3.37Å; E143-K154 IonicContact OE2-NZ 3.96Å; E143-K154 PolarHBondContact OE2-NZ 2.76Å; E150-K154 WeakPolarHBondContact O-CG 3.42Å; E150-K154 PolarHBondContact O-N 3.13Å; F151-K154 PolarHBondContact O-N 2.93Å; K154-D157 PolarHBondContact O-N 2.98Å; K154-G158 PolarHBondContact O-N 3.35Å; K154-G158 VanDerWaalsContact O-N 3.11Å; K154-R159 PolarHBondContact O-N 3.39Å |
| 155 | F | 97.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 178.8 | 177.7 | -88.1 | 0 | 0 | 0 | 111.9 | Y44 I128 L129 F151 M152 E153 G158 I160 W165 F270 | Y44-F155 AromaticContact CE1-CE2 3.88Å; Y44-F155 HydrophobicContact CE1-CE2 3.88Å; Y44-F155 HydrophobicContact CE1-CZ 4.44Å; I128-F155 HydrophobicContact CG2-CE2 3.81Å; I128-F155 HydrophobicContact CG2-CZ 4.07Å; L129-F155 HydrophobicContact CD1-CB 3.55Å; L129-F155 HydrophobicContact CD1-CD1 4.15Å; L129-F155 HydrophobicContact CD1-CD2 4.09Å; L129-F155 HydrophobicContact CD1-CG 3.67Å; F151-F155 WeakPolarHBondContact O-CB 3.44Å; F151-F155 PolarHBondContact O-N 3.17Å; M152-F155 WeakPolarHBondContact O-CB 3.45Å; M152-F155 PolarHBondContact O-N 2.8Å; E153-F155 VanDerWaalsContact C-N 3.33Å; E153-F155 PolarHBondContact O-N 3.22Å; F155-G158 PolarHBondContact O-N 3.36Å; F155-I160 HydrophobicContact CD2-CD1 4.44Å; F155-W165 HydrophobicContact CE1-CB 4.45Å; F155-W165 HydrophobicContact CZ-CB 3.92Å; F155-F270 HydrophobicContact CD1-CE2 4.16Å; F155-F270 HydrophobicContact CE1-CE2 4.01Å; F155-F270 HydrophobicContact CE1-CZ 4.21Å |
| 156 | L | 97.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 179.4 | -70.8 | 175.5 | 0 | 0 | 0 | 112.2 | M152 E153 G158 R269 F270 V273 I274 | M152-L156 HydrophobicContact CG-CD1 3.94Å; M152-L156 HydrophobicContact CG-CG 4.38Å; M152-L156 WeakPolarHBondContact O-CB 3.49Å; M152-L156 VanDerWaalsContact O-CG 3.3Å; M152-L156 WeakPolarHBondContact O-CG 3.47Å; M152-L156 PolarHBondContact O-N 2.58Å; E153-L156 PolarHBondContact O-N 2.65Å; L156-G158 PolarHBondContact O-N 2.68Å; L156-R269 HydrophobicContact CD1-CG 4.42Å; L156-F270 HydrophobicContact CD1-CD2 4.41Å; L156-F270 HydrophobicContact CD2-CD2 3.82Å; L156-F270 HydrophobicContact CD2-CE2 3.95Å; L156-F270 HydrophobicContact CD2-CG 4.39Å; L156-F270 HydrophobicContact CG-CD2 4.36Å; L156-V273 HydrophobicContact CB-CG1 4.21Å; L156-V273 HydrophobicContact CD1-CB 4.3Å; L156-V273 HydrophobicContact CD1-CG2 4.2Å; L156-V273 HydrophobicContact CD2-CB 4.1Å; L156-V273 HydrophobicContact CD2-CG1 3.96Å; L156-V273 HydrophobicContact CG-CG1 4.47Å; L156-I274 HydrophobicContact CD2-CD1 4Å; L156-I274 HydrophobicContact CD2-CG1 4.24Å |
| 157 | D | 96.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 38 Ų | 38 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.9 | -16.4 | 174.8 | -70.8 | -19.5 | 0 | 0 | 0 | 113.1 | E153 K154 R159 K164 | E153-D157 WeakPolarHBondContact O-CB 3.33Å; E153-D157 PolarHBondContact O-N 3.5Å; K154-D157 PolarHBondContact O-N 2.98Å; D157-R159 VanDerWaalsContact C-N 3.31Å; D157-R159 HydrophobicContact CB-CG 4.07Å; D157-R159 IonicContact OD2-CZ 3.98Å; D157-R159 IonicContact OD2-NE 2.93Å; D157-R159 PolarHBondContact OD2-NE 3.49Å; D157-R159 VanDerWaalsContact OD2-NE 3.13Å; D157-R159 IonicContact OD2-NH2 3.42Å; D157-R159 PolarHBondContact OD2-NH2 3.32Å; D157-K164 WeakPolarHBondContact O-CE 3.4Å |
| 158 | G | 95.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 17% | 0.165 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 16.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | K154 F155 L156 I160 | K154-G158 PolarHBondContact O-N 3.35Å; K154-G158 VanDerWaalsContact O-N 3.11Å; F155-G158 PolarHBondContact O-N 3.36Å; L156-G158 PolarHBondContact O-N 2.68Å; G158-I160 PolarHBondContact O-N 3.11Å |
| 159 | R | 94.1 | Very high | 96.8 | Very high | 124 Ų | 124 | 33.3 Ų | 33.3 | 47% | 0.468 | 16% | 0.16 | S | C | . | . | trans | -82.3 | 50.4 | 175.1 | -66.2 | -176.9 | -68 | 115.9 | -0.2 | 110.8 | K154 D157 | K154-R159 PolarHBondContact O-N 3.39Å; D157-R159 VanDerWaalsContact C-N 3.31Å; D157-R159 HydrophobicContact CB-CG 4.07Å; D157-R159 IonicContact OD2-CZ 3.98Å; D157-R159 IonicContact OD2-NE 2.93Å; D157-R159 PolarHBondContact OD2-NE 3.49Å; D157-R159 VanDerWaalsContact OD2-NE 3.13Å; D157-R159 IonicContact OD2-NH2 3.42Å; D157-R159 PolarHBondContact OD2-NH2 3.32Å | ||
| 160 | I | 94.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -143.5 | 164.7 | -178.6 | -167.5 | 163.7 | 0 | 0 | 0 | 108.9 | F151 F155 G158 F162 G163 | F151-I160 HydrophobicContact CE1-CD1 4.32Å; F151-I160 HydrophobicContact CE2-CD1 3.8Å; F151-I160 HydrophobicContact CZ-CD1 3.43Å; F151-I160 VanDerWaalsContact CZ-CD1 3.43Å; F155-I160 HydrophobicContact CD2-CD1 4.44Å; G158-I160 PolarHBondContact O-N 3.11Å; I160-F162 PolarHBondContact O-N 2.94Å; I160-G163 PolarHBondContact O-N 3.47Å |
| 161 | V | 95.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -52.2 | 134.8 | 176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | Y8 L15 P17 L142 G163 | Y8-V161 HydrophobicContact CD1-CG1 3.86Å; Y8-V161 HydrophobicContact CE1-CG1 3.47Å; Y8-V161 VanDerWaalsContact CE1-CG1 3.47Å; L15-V161 CarbonylContact O-C 3.58Å; L15-V161 VanDerWaalsContact O-CA 3.24Å; L15-V161 WeakPolarHBondContact O-CA 3.46Å; P17-V161 HydrophobicContact CG-CG1 3.93Å; L142-V161 HydrophobicContact CD2-CG1 4.11Å; V161-G163 PolarHBondContact O-N 2.9Å |
| 162 | F | 96.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 4% | 0.044 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 8.6 | -176.6 | -54.3 | -88.2 | 0 | 0 | 0 | 116.6 | L15 F16 H21 P45 E81 H101 F102 I160 | L15-F162 PolarHBondContact O-N 3.14Å; F16-F162 HydrophobicContact CD1-CD1 4.21Å; F16-F162 AromaticContact CD1-CE1 3.66Å; F16-F162 HydrophobicContact CD1-CE1 3.66Å; F16-F162 AromaticContact CD1-CZ 3.98Å; F16-F162 HydrophobicContact CD1-CZ 3.98Å; F16-F162 AromaticContact CE1-CD1 3.74Å; F16-F162 HydrophobicContact CE1-CD1 3.74Å; F16-F162 AromaticContact CE1-CE1 3.43Å; F16-F162 HydrophobicContact CE1-CE1 3.43Å; F16-F162 VanDerWaalsContact CE1-CE1 3.43Å; F16-F162 HydrophobicContact CE1-CZ 4.22Å; H21-F162 AromaticContact NE2-CZ 3.8Å; P45-F162 HydrophobicContact CG-CB 4.06Å; P45-F162 HydrophobicContact CG-CD2 3.37Å; P45-F162 HydrophobicContact CG-CE2 4.05Å; P45-F162 HydrophobicContact CG-CG 3.92Å; E81-F162 HydrophobicContact CG-CE1 4.24Å; E81-F162 HydrophobicContact CG-CZ 4.36Å; H101-F162 HydrophobicContact CB-CD1 3.47Å; H101-F162 VanDerWaalsContact CB-CD1 3.47Å; H101-F162 HydrophobicContact CB-CD2 4.03Å; H101-F162 HydrophobicContact CB-CE1 3.33Å; H101-F162 HydrophobicContact CB-CE2 3.9Å; H101-F162 HydrophobicContact CB-CG 3.82Å; H101-F162 HydrophobicContact CB-CZ 3.56Å; H101-F162 VanDerWaalsContact O-CD1 3.29Å; H101-F162 WeakPolarHBondContact O-CD1 3.16Å; F102-F162 HydrophobicContact CD1-CE1 4.45Å; I160-F162 PolarHBondContact O-N 2.94Å |
| 163 | G | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | trans | 77.5 | -153.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y44 I160 V161 | Y44-G163 PolarHBondContact OH-O 3.47Å; I160-G163 PolarHBondContact O-N 3.47Å; V161-G163 PolarHBondContact O-N 2.9Å | ||
| 164 | K | 97.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 30 Ų | 30 | 21% | 0.213 | 15% | 0.145 | C | C | . | . | trans | -73 | 134.7 | -177.7 | -69 | -174.5 | 175.9 | 177.6 | 0 | 111.8 | D157 T166 D167 H168 E277 | D157-K164 WeakPolarHBondContact O-CE 3.4Å; K164-T166 VanDerWaalsContact C-N 3.29Å; K164-T166 PolarHBondContact O-N 2.8Å; K164-D167 HydrophobicContact CB-CB 4.14Å; K164-D167 PolarHBondContact O-N 3.13Å; K164-H168 PolarHBondContact O-N 2.91Å; K164-E277 IonicContact NZ-OE1 2.75Å; K164-E277 PolarHBondContact NZ-OE1 2.91Å; K164-E277 IonicContact NZ-OE2 2.83Å | ||
| 165 | W | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | 171.6 | 172.3 | 86.1 | 0 | 0 | 0 | 112.8 | Y44 M122 P125 F155 H168 V169 I274 L278 L285 W287 | Y44-W165 HydrophobicContact CD1-CB 4.49Å; Y44-W165 AromaticContact CD1-CD1 3.88Å; Y44-W165 HydrophobicContact CD2-CB 4.27Å; Y44-W165 HydrophobicContact CE1-CB 4.33Å; Y44-W165 HydrophobicContact CE2-CB 4.08Å; Y44-W165 HydrophobicContact CG-CB 4.46Å; Y44-W165 AromaticContact CG-CD1 3.74Å; M122-W165 HydrophobicContact CG-CZ2 4.38Å; M122-W165 HydrophobicContact SD-CZ2 4.38Å; P125-W165 HydrophobicContact CB-CD2 3.66Å; P125-W165 HydrophobicContact CB-CE3 3.85Å; P125-W165 HydrophobicContact CB-CG 4.13Å; P125-W165 HydrophobicContact CB-CH2 4.27Å; P125-W165 HydrophobicContact CB-CZ2 4.09Å; P125-W165 HydrophobicContact CB-CZ3 4.15Å; P125-W165 HydrophobicContact CG-CD2 4.25Å; P125-W165 HydrophobicContact CG-CE3 4.08Å; P125-W165 HydrophobicContact CG-CH2 3.79Å; P125-W165 HydrophobicContact CG-CZ2 3.95Å; P125-W165 HydrophobicContact CG-CZ3 3.85Å; F155-W165 HydrophobicContact CE1-CB 4.45Å; F155-W165 HydrophobicContact CZ-CB 3.92Å; W165-H168 PolarHBondContact O-N 3.26Å; W165-V169 HydrophobicContact CD2-CG2 4.04Å; W165-V169 VanDerWaalsContact CE2-CG2 3.5Å; W165-V169 HydrophobicContact CH2-CG2 4.24Å; W165-V169 HydrophobicContact CZ2-CG2 3.62Å; W165-V169 WeakPolarHBondContact O-CG2 3.12Å; W165-V169 PolarHBondContact O-N 3.11Å; W165-I274 HydrophobicContact CE3-CD1 4.27Å; W165-I274 HydrophobicContact CZ3-CG2 4.12Å; W165-L278 HydrophobicContact CZ3-CD1 4.17Å; W165-L285 HydrophobicContact CH2-CD1 4.25Å; W165-L285 HydrophobicContact CH2-CD2 3.77Å; W165-W287 HydrophobicContact CH2-CZ2 4.29Å; W165-W287 AromaticContact CZ2-CZ2 3.91Å; W165-W287 HydrophobicContact CZ2-CZ2 3.91Å |
| 166 | T | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 179.6 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | K164 H168 V169 K170 I274 E277 L278 | K164-T166 VanDerWaalsContact C-N 3.29Å; K164-T166 PolarHBondContact O-N 2.8Å; T166-H168 VanDerWaalsContact C-N 3.33Å; T166-H168 PolarHBondContact O-N 3.49Å; T166-V169 PolarHBondContact O-N 3.42Å; T166-K170 WeakPolarHBondContact O-CB 3.47Å; T166-K170 VanDerWaalsContact O-CE 3.29Å; T166-K170 WeakPolarHBondContact O-CE 3.45Å; T166-K170 VanDerWaalsContact O-CG 3.26Å; T166-K170 WeakPolarHBondContact O-CG 3.49Å; T166-K170 PolarHBondContact O-N 3.35Å; T166-I274 HydrophobicContact CG2-CD1 3.9Å; T166-E277 HydrophobicContact CG2-CB 3.75Å; T166-L278 HydrophobicContact CG2-CD2 3.87Å; T166-L278 HydrophobicContact CG2-CG 3.99Å |
| 167 | D | 97.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.4 | -65.6 | -21 | 0 | 0 | 0 | 111.5 | K164 K170 S171 | K164-D167 HydrophobicContact CB-CB 4.14Å; K164-D167 PolarHBondContact O-N 3.13Å; D167-K170 PolarHBondContact O-N 3.21Å; D167-K170 WeakPolarHBondContact OD1-CE 3.4Å; D167-K170 IonicContact OD1-NZ 3.79Å; D167-K170 PolarHBondContact OD1-NZ 3.4Å; D167-S171 WeakPolarHBondContact O-CB 3.39Å; D167-S171 PolarHBondContact O-N 3.39Å |
| 168 | H | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 174 | -171.6 | -73.5 | 0 | 0 | 0 | 111.6 | Y44 H101 F102 Y120 K164 W165 T166 S171 W172 | Y44-H168 HydrophobicContact CD2-CB 3.79Å; Y44-H168 AromaticContact CD2-CG 3.86Å; Y44-H168 HydrophobicContact CE2-CB 4.45Å; H101-H168 PolarHBondContact O-CD2 3.02Å; H101-H168 PolarHBondContact O-NE2 3.31Å; F102-H168 PolarHBondContact O-NE2 3.32Å; Y120-H168 AromaticContact CE2-CE1 3.74Å; Y120-H168 AromaticContact CE2-ND1 3.89Å; Y120-H168 AromaticContact CZ-ND1 3.94Å; Y120-H168 PolarHBondContact OH-ND1 2.9Å; Y120-H168 VanDerWaalsContact OH-ND1 3.09Å; K164-H168 PolarHBondContact O-N 2.91Å; W165-H168 PolarHBondContact O-N 3.26Å; T166-H168 VanDerWaalsContact C-N 3.33Å; T166-H168 PolarHBondContact O-N 3.49Å; H168-S171 PolarHBondContact O-N 2.97Å; H168-S171 PolarHBondContact O-OG 3.21Å; H168-W172 AromaticContact CE1-CD1 3.57Å; H168-W172 AromaticContact CE1-NE1 3.66Å; H168-W172 AromaticContact ND1-CD1 3.77Å; H168-W172 AromaticContact NE2-NE1 3.88Å; H168-W172 PolarHBondContact O-N 3.25Å |
| 169 | V | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | Y120 M122 W165 T166 S171 W172 R173 F283 | Y120-V169 WeakPolarHBondContact OH-CA 3.4Å; Y120-V169 WeakPolarHBondContact OH-CG2 3.34Å; M122-V169 HydrophobicContact CG-CG2 4.3Å; M122-V169 HydrophobicContact SD-CG1 3.98Å; M122-V169 HydrophobicContact SD-CG2 4.21Å; W165-V169 HydrophobicContact CD2-CG2 4.04Å; W165-V169 VanDerWaalsContact CE2-CG2 3.5Å; W165-V169 HydrophobicContact CH2-CG2 4.24Å; W165-V169 HydrophobicContact CZ2-CG2 3.62Å; W165-V169 WeakPolarHBondContact O-CG2 3.12Å; W165-V169 PolarHBondContact O-N 3.11Å; T166-V169 PolarHBondContact O-N 3.42Å; V169-S171 VanDerWaalsContact C-N 3.31Å; V169-S171 PolarHBondContact O-N 3.49Å; V169-W172 PolarHBondContact O-N 3.01Å; V169-R173 WeakPolarHBondContact O-CG 3.06Å; V169-R173 PolarHBondContact O-N 3.32Å; V169-F283 HydrophobicContact CG1-CE2 3.73Å; V169-F283 HydrophobicContact CG1-CZ 3.67Å |
| 170 | K | 96.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 40 Ų | 40 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | 177.9 | -73.5 | 178.8 | -63.7 | -173 | 0 | 111.2 | T166 D167 W172 R173 E277 L278 E281 F283 | T166-K170 WeakPolarHBondContact O-CB 3.47Å; T166-K170 VanDerWaalsContact O-CE 3.29Å; T166-K170 WeakPolarHBondContact O-CE 3.45Å; T166-K170 VanDerWaalsContact O-CG 3.26Å; T166-K170 WeakPolarHBondContact O-CG 3.49Å; T166-K170 PolarHBondContact O-N 3.35Å; D167-K170 PolarHBondContact O-N 3.21Å; D167-K170 WeakPolarHBondContact OD1-CE 3.4Å; D167-K170 IonicContact OD1-NZ 3.79Å; D167-K170 PolarHBondContact OD1-NZ 3.4Å; K170-W172 PolarHBondContact O-N 3.16Å; K170-R173 PolarHBondContact O-N 2.92Å; K170-E277 PolarHBondContact NZ-O 3.31Å; K170-L278 HydrophobicContact CD-CD2 4.5Å; K170-L278 HydrophobicContact CG-CD2 4.34Å; K170-E281 HydrophobicContact CD-CG 3.99Å; K170-E281 WeakPolarHBondContact CD-OE1 3.45Å; K170-E281 HydrophobicContact CG-CG 4.08Å; K170-F283 HydrophobicContact CG-CE1 4.29Å; K170-F283 HydrophobicContact CG-CZ 4.4Å |
| 171 | S | 96.8 | Very high | 96 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | -177.9 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | P103 Y104 D167 H168 V169 | P103-S171 WeakPolarHBondContact CB-OG 3.27Å; Y104-S171 WeakPolarHBondContact CB-O 3.31Å; Y104-S171 PolarHBondContact N-OG 2.89Å; D167-S171 WeakPolarHBondContact O-CB 3.39Å; D167-S171 PolarHBondContact O-N 3.39Å; H168-S171 PolarHBondContact O-N 2.97Å; H168-S171 PolarHBondContact O-OG 3.21Å; V169-S171 VanDerWaalsContact C-N 3.31Å; V169-S171 PolarHBondContact O-N 3.49Å |
| 172 | W | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -86.7 | -5.8 | -178.4 | -78 | 101.6 | 0 | 0 | 0 | 114 | V42 F102 Y104 M107 F111 V118 Y120 H168 V169 K170 N174 L177 I181 F183 | V42-W172 HydrophobicContact CB-CZ2 4.25Å; V42-W172 HydrophobicContact CG1-CD2 3.87Å; V42-W172 HydrophobicContact CG1-CG 4.26Å; V42-W172 HydrophobicContact CG1-CH2 4.28Å; V42-W172 HydrophobicContact CG1-CZ2 3.59Å; V42-W172 HydrophobicContact CG2-CH2 3.58Å; V42-W172 HydrophobicContact CG2-CZ2 3.65Å; V42-W172 HydrophobicContact CG2-CZ3 4.1Å; F102-W172 WeakPolarHBondContact O-CZ2 3.33Å; F102-W172 PolarHBondContact O-NE1 3.18Å; Y104-W172 HydrophobicContact CD2-CD2 4.48Å; Y104-W172 AromaticContact CD2-CE3 3.98Å; Y104-W172 HydrophobicContact CD2-CE3 3.98Å; Y104-W172 HydrophobicContact CD2-CH2 4.45Å; Y104-W172 AromaticContact CD2-CZ3 3.96Å; Y104-W172 HydrophobicContact CD2-CZ3 3.96Å; M107-W172 HydrophobicContact CE-CH2 4.17Å; M107-W172 HydrophobicContact CG-CH2 3.63Å; M107-W172 HydrophobicContact CG-CZ2 3.78Å; M107-W172 HydrophobicContact SD-CH2 3.69Å; M107-W172 HydrophobicContact SD-CZ2 3.72Å; F111-W172 HydrophobicContact CE1-CH2 4.14Å; F111-W172 AromaticContact CE1-CZ3 3.98Å; F111-W172 HydrophobicContact CE1-CZ3 3.98Å; F111-W172 HydrophobicContact CZ-CH2 4.21Å; F111-W172 AromaticContact CZ-CZ3 3.93Å; F111-W172 HydrophobicContact CZ-CZ3 3.93Å; V118-W172 HydrophobicContact CG1-CE3 4.47Å; V118-W172 HydrophobicContact CG1-CZ3 4.1Å; V118-W172 HydrophobicContact CG2-CZ3 4.12Å; Y120-W172 HydrophobicContact CD2-CB 3.69Å; Y120-W172 HydrophobicContact CD2-CD2 4.1Å; Y120-W172 AromaticContact CD2-CG 3.67Å; Y120-W172 HydrophobicContact CD2-CG 3.67Å; Y120-W172 HydrophobicContact CE2-CB 3.48Å; Y120-W172 VanDerWaalsContact CE2-CB 3.48Å; Y120-W172 AromaticContact CE2-CD1 3.48Å; Y120-W172 VanDerWaalsContact CE2-CD1 3.48Å; Y120-W172 HydrophobicContact CE2-CD2 4.25Å; Y120-W172 AromaticContact CE2-CG 3.43Å; Y120-W172 HydrophobicContact CE2-CG 3.43Å; Y120-W172 VanDerWaalsContact CE2-CG 3.43Å; H168-W172 AromaticContact CE1-CD1 3.57Å; H168-W172 AromaticContact CE1-NE1 3.66Å; H168-W172 AromaticContact ND1-CD1 3.77Å; H168-W172 AromaticContact NE2-NE1 3.88Å; H168-W172 PolarHBondContact O-N 3.25Å; V169-W172 PolarHBondContact O-N 3.01Å; K170-W172 PolarHBondContact O-N 3.16Å; W172-N174 PolarHBondContact O-N 3.45Å; W172-L177 HydrophobicContact CE3-CD1 3.99Å; W172-L177 HydrophobicContact CZ3-CD1 4.16Å; W172-I181 HydrophobicContact CE3-CD1 4.09Å; W172-F183 WeakPolarHBondContact O-CZ 3.38Å |
| 173 | R | 94.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 44 Ų | 44 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | trans | -80.1 | 45.2 | 169.6 | -63.4 | -62.5 | -171.9 | -174.1 | 2.6 | 111.8 | V169 K170 F183 F283 | V169-R173 WeakPolarHBondContact O-CG 3.06Å; V169-R173 PolarHBondContact O-N 3.32Å; K170-R173 PolarHBondContact O-N 2.92Å; R173-F183 VanDerWaalsContact NH1-CD1 3.25Å; R173-F183 VanDerWaalsContact NH1-CE1 3.32Å; R173-F283 HydrophobicContact CG-CD1 3.76Å; R173-F283 HydrophobicContact CG-CE1 3.88Å; R173-F283 HydrophobicContact CG-CG 4.27Å; R173-F283 HydrophobicContact CG-CZ 4.49Å | ||
| 174 | N | 91.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -87.3 | 117.2 | 178.8 | -172.8 | -20.8 | 0 | 0 | 0 | 110.9 | Y104 W172 E176 L177 | Y104-N174 HydrophobicContact CD2-CB 4.34Å; Y104-N174 WeakPolarHBondContact CE1-ND2 3.47Å; Y104-N174 HydrophobicContact CE2-CB 4.15Å; Y104-N174 PolarHBondContact OH-ND2 2.73Å; Y104-N174 VanDerWaalsContact OH-ND2 3.15Å; W172-N174 PolarHBondContact O-N 3.45Å; N174-E176 PolarHBondContact ND2-OE2 3.05Å; N174-E176 PolarHBondContact O-N 2.9Å; N174-E176 VanDerWaalsContact OD1-CB 3.27Å; N174-E176 WeakPolarHBondContact OD1-CB 3.33Å; N174-E176 WeakPolarHBondContact OD1-CG 3.27Å; N174-E176 PolarHBondContact OD1-N 3.43Å; N174-L177 HydrophobicContact CB-CD1 4.35Å; N174-L177 HydrophobicContact CB-CG 4.42Å; N174-L177 WeakPolarHBondContact O-CB 3.15Å; N174-L177 PolarHBondContact O-N 3.29Å | ||
| 175 | A | 90 | Very high | 96.2 | Very high | 98 Ų | 98 | 42 Ų | 42 | 81% | 0.81 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -61.9 | -25.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L177 G178 | A175-L177 PolarHBondContact O-N 2.89Å; A175-G178 PolarHBondContact O-N 3.23Å |
| 176 | E | 91.8 | Very high | 96.2 | Very high | 141 Ų | 141 | 42.5 Ų | 42.5 | 66% | 0.659 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -62.8 | -21.7 | 177.1 | -62.9 | 177.6 | 159.7 | 0 | 0 | 112.7 | R112 N174 G178 | R112-E176 IonicContact NH1-OE2 3.87Å; N174-E176 PolarHBondContact ND2-OE2 3.05Å; N174-E176 PolarHBondContact O-N 2.9Å; N174-E176 VanDerWaalsContact OD1-CB 3.27Å; N174-E176 WeakPolarHBondContact OD1-CB 3.33Å; N174-E176 WeakPolarHBondContact OD1-CG 3.27Å; N174-E176 PolarHBondContact OD1-N 3.43Å; E176-G178 VanDerWaalsContact C-N 3.29Å; E176-G178 PolarHBondContact O-N 3.46Å |
| 177 | L | 95.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -72.2 | -23.2 | 178.5 | -69.1 | 175 | 0 | 0 | 0 | 112.7 | Y104 F111 W172 N174 A175 D179 R180 I181 | Y104-L177 HydrophobicContact CD2-CD1 4.12Å; Y104-L177 HydrophobicContact CE2-CD1 3.95Å; Y104-L177 HydrophobicContact CE2-CD2 4.04Å; Y104-L177 HydrophobicContact CE2-CG 4.04Å; F111-L177 HydrophobicContact CE1-CD2 3.8Å; F111-L177 HydrophobicContact CZ-CD2 3.61Å; W172-L177 HydrophobicContact CE3-CD1 3.99Å; W172-L177 HydrophobicContact CZ3-CD1 4.16Å; N174-L177 HydrophobicContact CB-CD1 4.35Å; N174-L177 HydrophobicContact CB-CG 4.42Å; N174-L177 WeakPolarHBondContact O-CB 3.15Å; N174-L177 PolarHBondContact O-N 3.29Å; A175-L177 PolarHBondContact O-N 2.89Å; L177-D179 PolarHBondContact O-N 2.82Å; L177-R180 WeakPolarHBondContact O-CA 3.21Å; L177-R180 WeakPolarHBondContact O-CB 3.49Å; L177-R180 PolarHBondContact O-N 2.98Å; L177-I181 HydrophobicContact CB-CB 4.04Å; L177-I181 HydrophobicContact CB-CG2 3.54Å; L177-I181 HydrophobicContact CD1-CB 4.21Å; L177-I181 HydrophobicContact CD1-CD1 3.72Å; L177-I181 HydrophobicContact CD1-CG2 4.25Å |
| 178 | G | 95.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | 44.9 | -121.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A175 E176 R180 | A175-G178 PolarHBondContact O-N 3.23Å; E176-G178 VanDerWaalsContact C-N 3.29Å; E176-G178 PolarHBondContact O-N 3.46Å; G178-R180 VanDerWaalsContact C-N 3.31Å |
| 179 | D | 95.9 | Very high | 95.8 | Very high | 141 Ų | 141 | 43.5 Ų | 43.5 | 75% | 0.754 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -83.8 | 2.2 | 178.9 | 68.4 | -23.6 | 0 | 0 | 0 | 114.3 | L177 I181 F203 | L177-D179 PolarHBondContact O-N 2.82Å; D179-I181 VanDerWaalsContact C-N 3.34Å; D179-F203 VanDerWaalsContact O-CE2 3.24Å; D179-F203 WeakPolarHBondContact O-CE2 3.4Å |
| 180 | R | 97.8 | Very high | 95.7 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 15% | 0.151 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -84.6 | -5.7 | 174.8 | -59.7 | 172.5 | 52.2 | -170.6 | -4.5 | 113.3 | F111 S114 A116 K117 V118 L177 G178 | F111-R180 PolarHBondContact O-NH1 2.64Å; F111-R180 PolarHBondContact O-NH2 3.43Å; S114-R180 PolarHBondContact O-NH1 2.77Å; S114-R180 PolarHBondContact O-NH2 2.9Å; S114-R180 VanDerWaalsContact O-NH2 3.11Å; A116-R180 PolarHBondContact O-NE 3.21Å; A116-R180 VanDerWaalsContact O-NE 3.12Å; A116-R180 PolarHBondContact O-NH2 2.95Å; K117-R180 CarbonylContact C-O 3.54Å; K117-R180 WeakPolarHBondContact CA-O 3.27Å; V118-R180 PolarHBondContact N-O 3.21Å; L177-R180 WeakPolarHBondContact O-CA 3.21Å; L177-R180 WeakPolarHBondContact O-CB 3.49Å; L177-R180 PolarHBondContact O-N 2.98Å; G178-R180 VanDerWaalsContact C-N 3.31Å |
| 181 | I | 98.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.3 | 178.5 | -172.9 | 161.5 | 0 | 0 | 0 | 111.5 | V118 W172 L177 D179 F183 | V118-I181 HydrophobicContact CB-CB 4.3Å; V118-I181 HydrophobicContact CB-CD1 4.37Å; V118-I181 HydrophobicContact CB-CG1 4.08Å; V118-I181 HydrophobicContact CG1-CD1 3.95Å; V118-I181 HydrophobicContact CG1-CG1 3.99Å; V118-I181 CarbonylContact O-C 3.48Å; V118-I181 WeakPolarHBondContact O-CA 3.32Å; W172-I181 HydrophobicContact CE3-CD1 4.09Å; L177-I181 HydrophobicContact CB-CB 4.04Å; L177-I181 HydrophobicContact CB-CG2 3.54Å; L177-I181 HydrophobicContact CD1-CB 4.21Å; L177-I181 HydrophobicContact CD1-CD1 3.72Å; L177-I181 HydrophobicContact CD1-CG2 4.25Å; D179-I181 VanDerWaalsContact C-N 3.34Å; I181-F183 HydrophobicContact CB-CE2 4.5Å; I181-F183 HydrophobicContact CD1-CE1 3.83Å; I181-F183 HydrophobicContact CD1-CE2 3.97Å; I181-F183 HydrophobicContact CD1-CZ 3.46Å; I181-F183 VanDerWaalsContact CD1-CZ 3.46Å; I181-F183 HydrophobicContact CG1-CD2 4.33Å; I181-F183 HydrophobicContact CG1-CE1 4.36Å; I181-F183 HydrophobicContact CG1-CE2 3.91Å; I181-F183 HydrophobicContact CG1-CZ 3.93Å; I181-F183 HydrophobicContact CG2-CE2 3.81Å; I181-F183 HydrophobicContact CG2-CZ 4.31Å |
| 182 | L | 98.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.1 | 168.2 | 174.7 | 66.2 | 0 | 0 | 0 | 108.9 | V118 Y120 I184 I200 F203 | V118-L182 PolarHBondContact O-N 3.2Å; Y120-L182 PolarHBondContact N-O 2.82Å; L182-I184 HydrophobicContact CD1-CG2 4.39Å; L182-I184 HydrophobicContact CD2-CG2 3.98Å; L182-I184 HydrophobicContact CG-CG2 3.95Å; L182-I200 HydrophobicContact CD2-CG1 4.08Å; L182-F203 HydrophobicContact CB-CB 4.44Å; L182-F203 HydrophobicContact CB-CD1 3.68Å; L182-F203 HydrophobicContact CB-CD2 3.77Å; L182-F203 HydrophobicContact CB-CE1 3.74Å; L182-F203 HydrophobicContact CB-CE2 3.8Å; L182-F203 HydrophobicContact CB-CG 3.7Å; L182-F203 HydrophobicContact CB-CZ 3.79Å; L182-F203 HydrophobicContact CD2-CB 3.85Å; L182-F203 HydrophobicContact CD2-CD1 4.01Å; L182-F203 HydrophobicContact CD2-CG 3.96Å; L182-F203 HydrophobicContact CG-CD1 4.47Å; L182-F203 HydrophobicContact CG-CG 4.32Å |
| 183 | F | 97.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.6 | 169.6 | -65 | -84.8 | 0 | 0 | 0 | 110 | Y120 W172 R173 I181 | Y120-F183 AromaticContact CD1-CD1 3.65Å; Y120-F183 HydrophobicContact CD1-CD1 3.65Å; Y120-F183 AromaticContact CD1-CE1 3.92Å; Y120-F183 HydrophobicContact CD1-CE1 3.92Å; Y120-F183 AromaticContact CG-CD1 3.92Å; Y120-F183 HydrophobicContact CG-CD1 3.92Å; Y120-F183 AromaticContact CG-CE1 3.92Å; Y120-F183 HydrophobicContact CG-CE1 3.92Å; W172-F183 WeakPolarHBondContact O-CZ 3.38Å; R173-F183 VanDerWaalsContact NH1-CD1 3.25Å; R173-F183 VanDerWaalsContact NH1-CE1 3.32Å; I181-F183 HydrophobicContact CB-CE2 4.5Å; I181-F183 HydrophobicContact CD1-CE1 3.83Å; I181-F183 HydrophobicContact CD1-CE2 3.97Å; I181-F183 HydrophobicContact CD1-CZ 3.46Å; I181-F183 VanDerWaalsContact CD1-CZ 3.46Å; I181-F183 HydrophobicContact CG1-CD2 4.33Å; I181-F183 HydrophobicContact CG1-CE1 4.36Å; I181-F183 HydrophobicContact CG1-CE2 3.91Å; I181-F183 HydrophobicContact CG1-CZ 3.93Å; I181-F183 HydrophobicContact CG2-CE2 3.81Å; I181-F183 HydrophobicContact CG2-CZ 4.31Å |
| 184 | I | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 163.8 | 167.9 | 63.7 | 176.7 | 0 | 0 | 0 | 109.6 | M52 V119 Y120 V121 M122 L182 M189 I200 | M52-I184 HydrophobicContact SD-CD1 4.3Å; V119-I184 HydrophobicContact CG1-CD1 3.69Å; V119-I184 HydrophobicContact CG1-CG1 4.01Å; Y120-I184 PolarHBondContact O-N 2.73Å; Y120-I184 VanDerWaalsContact O-O 3.1Å; V121-I184 WeakPolarHBondContact CA-O 3.41Å; V121-I184 HydrophobicContact CB-CG1 4.4Å; V121-I184 HydrophobicContact CG1-CG1 4.37Å; V121-I184 HydrophobicContact CG2-CD1 3.99Å; V121-I184 HydrophobicContact CG2-CG1 3.91Å; M122-I184 PolarHBondContact N-O 3.28Å; L182-I184 HydrophobicContact CD1-CG2 4.39Å; L182-I184 HydrophobicContact CD2-CG2 3.98Å; L182-I184 HydrophobicContact CG-CG2 3.95Å; I184-M189 HydrophobicContact CD1-CG 4.26Å; I184-M189 HydrophobicContact CD1-SD 3.83Å; I184-I200 HydrophobicContact CD1-CD1 3.83Å; I184-I200 HydrophobicContact CD1-CG1 4.2Å |
| 185 | T | 97.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.9 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | M122 E187 E188 M189 P286 W287 | M122-T185 HydrophobicContact CE-CG2 4.46Å; M122-T185 CarbonylContact O-C 3.56Å; M122-T185 WeakPolarHBondContact O-CA 3.3Å; T185-E187 WeakPolarHBondContact CB-OE2 3.37Å; T185-E187 PolarHBondContact O-N 3.31Å; T185-E188 WeakPolarHBondContact CB-OE2 3.4Å; T185-E188 PolarHBondContact N-OE2 3.42Å; T185-E188 PolarHBondContact O-N 3.32Å; T185-E188 VanDerWaalsContact OG1-CB 3.3Å; T185-E188 WeakPolarHBondContact OG1-CB 3.34Å; T185-E188 VanDerWaalsContact OG1-CD 3.24Å; T185-E188 WeakPolarHBondContact OG1-CG 3.39Å; T185-E188 PolarHBondContact OG1-N 2.87Å; T185-E188 PolarHBondContact OG1-OE2 2.91Å; T185-M189 WeakPolarHBondContact O-CG 3.39Å; T185-M189 PolarHBondContact O-N 3.22Å; T185-P286 HydrophobicContact CG2-CB 4.13Å; T185-P286 HydrophobicContact CG2-CG 3.52Å; T185-W287 HydrophobicContact CG2-CZ3 4.38Å |
| 186 | Y | 96.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57 | -36.5 | 170.2 | -177.6 | -89.2 | 0 | 0 | 0 | 110.9 | S47 W51 M122 R123 M189 V190 G252 | S47-Y186 WeakPolarHBondContact O-CD2 3.06Å; W51-Y186 HydrophobicContact CE3-CD2 4.13Å; W51-Y186 AromaticContact CE3-CE2 3.8Å; W51-Y186 HydrophobicContact CE3-CE2 3.8Å; W51-Y186 HydrophobicContact CZ3-CD2 4.26Å; W51-Y186 AromaticContact CZ3-CE2 3.95Å; W51-Y186 HydrophobicContact CZ3-CE2 3.95Å; M122-Y186 PolarHBondContact O-N 2.68Å; R123-Y186 HydrophobicContact CB-CG 4.48Å; R123-Y186 HydrophobicContact CG-CD1 4.2Å; R123-Y186 HydrophobicContact CG-CG 4.01Å; Y186-M189 PolarHBondContact O-N 3.35Å; Y186-V190 HydrophobicContact CD1-CG2 3.78Å; Y186-V190 HydrophobicContact CE1-CG2 3.35Å; Y186-V190 WeakPolarHBondContact O-CG2 3.19Å; Y186-V190 PolarHBondContact O-N 3.18Å; Y186-G252 VanDerWaalsContact OH-C 3.28Å; Y186-G252 WeakPolarHBondContact OH-CA 3.47Å; Y186-G252 PolarHBondContact OH-O 3.38Å |
| 187 | E | 95.6 | Very high | 96.8 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 179.3 | -65.5 | 74 | -165 | 0 | 0 | 112.1 | N124 T185 M189 V190 Q191 A255 W287 | N124-E187 VanDerWaalsContact CB-OE1 3.29Å; N124-E187 WeakPolarHBondContact CB-OE1 3.41Å; N124-E187 PolarHBondContact N-OE1 3.46Å; T185-E187 WeakPolarHBondContact CB-OE2 3.37Å; T185-E187 PolarHBondContact O-N 3.31Å; E187-M189 VanDerWaalsContact C-N 3.32Å; E187-M189 PolarHBondContact O-N 2.95Å; E187-V190 PolarHBondContact O-N 3.09Å; E187-Q191 WeakPolarHBondContact O-CB 3.19Å; E187-Q191 PolarHBondContact O-N 2.85Å; E187-A255 HydrophobicContact CG-CB 4.11Å; E187-W287 WeakPolarHBondContact OE2-CZ3 3.39Å |
| 188 | E | 95.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 172.5 | -76.3 | 162.6 | 126.8 | 0 | 0 | 111.4 | T185 V190 Q191 D192 S196 R199 | T185-E188 WeakPolarHBondContact CB-OE2 3.4Å; T185-E188 PolarHBondContact N-OE2 3.42Å; T185-E188 PolarHBondContact O-N 3.32Å; T185-E188 VanDerWaalsContact OG1-CB 3.3Å; T185-E188 WeakPolarHBondContact OG1-CB 3.34Å; T185-E188 VanDerWaalsContact OG1-CD 3.24Å; T185-E188 WeakPolarHBondContact OG1-CG 3.39Å; T185-E188 PolarHBondContact OG1-N 2.87Å; T185-E188 PolarHBondContact OG1-OE2 2.91Å; E188-V190 VanDerWaalsContact C-N 3.34Å; E188-V190 PolarHBondContact O-N 3.44Å; E188-Q191 PolarHBondContact O-N 3.01Å; E188-D192 CarbonylContact O-C 3.5Å; E188-D192 PolarHBondContact O-N 3.27Å; E188-S196 PolarHBondContact O-OG 3.01Å; E188-R199 IonicContact OE1-CZ 3.78Å; E188-R199 IonicContact OE1-NH1 3.89Å; E188-R199 PolarHBondContact OE1-NH1 3.49Å; E188-R199 IonicContact OE2-NH1 2.76Å |
| 189 | M | 95.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 178.2 | -62.4 | 171.1 | 69.2 | 0 | 0 | 112.3 | W51 M52 I55 V121 I184 T185 Y186 E187 L193 S196 | W51-M189 HydrophobicContact CB-CE 4.29Å; W51-M189 HydrophobicContact CD2-CE 3.54Å; W51-M189 HydrophobicContact CE3-CB 4.08Å; W51-M189 HydrophobicContact CE3-CE 3.54Å; W51-M189 HydrophobicContact CE3-SD 4.28Å; W51-M189 HydrophobicContact CG-CE 3.87Å; W51-M189 VanDerWaalsContact CH2-C 3.49Å; W51-M189 HydrophobicContact CH2-CB 3.69Å; W51-M189 WeakPolarHBondContact CH2-O 3.42Å; W51-M189 HydrophobicContact CZ2-CB 4.44Å; W51-M189 HydrophobicContact CZ3-CB 3.48Å; W51-M189 VanDerWaalsContact CZ3-CB 3.48Å; W51-M189 HydrophobicContact CZ3-CE 4.13Å; M52-M189 HydrophobicContact SD-CE 3.74Å; M52-M189 HydrophobicContact SD-SD 4.23Å; I55-M189 HydrophobicContact CD1-CE 3.29Å; V121-M189 HydrophobicContact CG1-SD 4.09Å; I184-M189 HydrophobicContact CD1-CG 4.26Å; I184-M189 HydrophobicContact CD1-SD 3.83Å; T185-M189 WeakPolarHBondContact O-CG 3.39Å; T185-M189 PolarHBondContact O-N 3.22Å; Y186-M189 PolarHBondContact O-N 3.35Å; E187-M189 VanDerWaalsContact C-N 3.32Å; E187-M189 PolarHBondContact O-N 2.95Å; M189-L193 HydrophobicContact CE-CD1 4.49Å; M189-L193 WeakPolarHBondContact O-CA 3.1Å; M189-L193 WeakPolarHBondContact O-CB 3.3Å; M189-L193 PolarHBondContact O-N 3.19Å; M189-S196 WeakPolarHBondContact CA-OG 3.29Å; M189-S196 PolarHBondContact N-OG 3.28Å |
| 190 | V | 93.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68 | -40.6 | 174.5 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | W51 Y186 E187 E188 R253 | W51-V190 HydrophobicContact CH2-CG2 4.09Å; W51-V190 HydrophobicContact CZ3-CG2 3.91Å; Y186-V190 HydrophobicContact CD1-CG2 3.78Å; Y186-V190 HydrophobicContact CE1-CG2 3.35Å; Y186-V190 WeakPolarHBondContact O-CG2 3.19Å; Y186-V190 PolarHBondContact O-N 3.18Å; E187-V190 PolarHBondContact O-N 3.09Å; E188-V190 VanDerWaalsContact C-N 3.34Å; E188-V190 PolarHBondContact O-N 3.44Å; V190-R253 WeakPolarHBondContact CG1-O 3.45Å |
| 191 | Q | 94.5 | Very high | 97.3 | Very high | 174 Ų | 174 | 37 Ų | 37 | 81% | 0.813 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -70 | -49 | -178.1 | -178.3 | 177.9 | -12.5 | 0 | 0 | 112.1 | E187 E188 | E187-Q191 WeakPolarHBondContact O-CB 3.19Å; E187-Q191 PolarHBondContact O-N 2.85Å; E188-Q191 PolarHBondContact O-N 3.01Å |
| 192 | D | 96.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | trans | -148.2 | 90.1 | -179.9 | -168.3 | -24.4 | 0 | 0 | 0 | 110.5 | E188 P194 A195 S196 | E188-D192 CarbonylContact O-C 3.5Å; E188-D192 PolarHBondContact O-N 3.27Å; D192-P194 VanDerWaalsContact OD1-CD 3.23Å; D192-P194 WeakPolarHBondContact OD1-CD 3.42Å; D192-A195 HydrophobicContact CB-CB 3.93Å; D192-A195 PolarHBondContact O-N 3.02Å; D192-A195 WeakPolarHBondContact OD1-CB 3.39Å; D192-A195 PolarHBondContact OD1-N 2.92Å; D192-S196 PolarHBondContact O-N 2.73Å; D192-S196 PolarHBondContact O-OG 3.41Å | ||
| 193 | L | 96.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 178.4 | -179.2 | 64.1 | 0 | 0 | 0 | 112.5 | W51 I55 M189 A195 S196 I197 A217 C220 | W51-L193 HydrophobicContact CH2-CD1 4.35Å; W51-L193 HydrophobicContact CZ2-CB 4.46Å; W51-L193 HydrophobicContact CZ2-CD1 3.61Å; W51-L193 HydrophobicContact CZ2-CD2 3.85Å; W51-L193 HydrophobicContact CZ2-CG 4.16Å; I55-L193 HydrophobicContact CD1-CD1 3.92Å; M189-L193 HydrophobicContact CE-CD1 4.49Å; M189-L193 WeakPolarHBondContact O-CA 3.1Å; M189-L193 WeakPolarHBondContact O-CB 3.3Å; M189-L193 PolarHBondContact O-N 3.19Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 3.47Å; L193-S196 PolarHBondContact O-N 3.19Å; L193-I197 HydrophobicContact CD1-CD1 3.95Å; L193-I197 HydrophobicContact CD1-CG1 4.06Å; L193-I197 HydrophobicContact CD2-CD1 4.27Å; L193-I197 HydrophobicContact CG-CD1 3.69Å; L193-I197 HydrophobicContact CG-CG1 4.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.08Å; L193-I197 PolarHBondContact O-N 2.99Å; L193-A217 HydrophobicContact CD2-CB 4.01Å; L193-A217 WeakPolarHBondContact CD2-O 3.3Å; L193-A217 HydrophobicContact CG-CB 4.15Å; L193-C220 HydrophobicContact CD2-CB 3.96Å |
| 194 | P | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.6 | -45.6 | 173 | -28.5 | 34.6 | 0 | 0 | 0 | 113.9 | D192 S196 I197 R198 I213 A217 | D192-P194 VanDerWaalsContact OD1-CD 3.23Å; D192-P194 WeakPolarHBondContact OD1-CD 3.42Å; P194-S196 VanDerWaalsContact C-N 3.34Å; P194-S196 PolarHBondContact O-N 2.74Å; P194-I197 PolarHBondContact O-N 3.06Å; P194-R198 WeakPolarHBondContact O-CB 3.09Å; P194-R198 PolarHBondContact O-N 2.89Å; P194-I213 HydrophobicContact CB-CG2 4Å; P194-I213 WeakPolarHBondContact O-CG2 3.48Å; P194-A217 HydrophobicContact CG-CB 3.77Å |
| 195 | A | 98.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D192 L193 R198 R199 | D192-A195 HydrophobicContact CB-CB 3.93Å; D192-A195 PolarHBondContact O-N 3.02Å; D192-A195 WeakPolarHBondContact OD1-CB 3.39Å; D192-A195 PolarHBondContact OD1-N 2.92Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 3.47Å; A195-R198 PolarHBondContact O-N 3.44Å; A195-R199 WeakPolarHBondContact O-CG 3.44Å; A195-R199 PolarHBondContact O-N 3.24Å |
| 196 | S | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.8 | -60 | 0 | 0 | 0 | 0 | 111.9 | E188 M189 D192 L193 P194 R198 R199 I200 | E188-S196 PolarHBondContact O-OG 3.01Å; M189-S196 WeakPolarHBondContact CA-OG 3.29Å; M189-S196 PolarHBondContact N-OG 3.28Å; D192-S196 PolarHBondContact O-N 2.73Å; D192-S196 PolarHBondContact O-OG 3.41Å; L193-S196 PolarHBondContact O-N 3.19Å; P194-S196 VanDerWaalsContact C-N 3.34Å; P194-S196 PolarHBondContact O-N 2.74Å; S196-R198 VanDerWaalsContact C-N 3.33Å; S196-R198 PolarHBondContact O-N 2.7Å; S196-R199 PolarHBondContact O-N 3.22Å; S196-I200 WeakPolarHBondContact O-CD1 3.21Å; S196-I200 VanDerWaalsContact O-CG1 3.28Å; S196-I200 WeakPolarHBondContact O-CG1 3.23Å; S196-I200 PolarHBondContact O-N 2.97Å |
| 197 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.9 | -69.4 | 163.6 | 0 | 0 | 0 | 110.8 | I55 V59 L193 P194 I200 S201 I213 I216 A217 | I55-I197 HydrophobicContact CG2-CG1 4.28Å; V59-I197 HydrophobicContact CG2-CG2 4.06Å; L193-I197 HydrophobicContact CD1-CD1 3.95Å; L193-I197 HydrophobicContact CD1-CG1 4.06Å; L193-I197 HydrophobicContact CD2-CD1 4.27Å; L193-I197 HydrophobicContact CG-CD1 3.69Å; L193-I197 HydrophobicContact CG-CG1 4.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.08Å; L193-I197 PolarHBondContact O-N 2.99Å; P194-I197 PolarHBondContact O-N 3.06Å; I197-I200 PolarHBondContact O-N 3.46Å; I197-S201 WeakPolarHBondContact O-CB 3.27Å; I197-S201 PolarHBondContact O-N 3.02Å; I197-I213 HydrophobicContact CB-CG2 4.21Å; I197-I213 HydrophobicContact CG2-CB 4.43Å; I197-I213 HydrophobicContact CG2-CG1 4.18Å; I197-I213 HydrophobicContact CG2-CG2 4.07Å; I197-I216 HydrophobicContact CD1-CB 4.16Å; I197-I216 HydrophobicContact CD1-CG2 3.65Å; I197-I216 HydrophobicContact CG1-CG2 4.35Å; I197-I216 HydrophobicContact CG2-CG2 4.36Å; I197-A217 HydrophobicContact CD1-CB 3.82Å |
| 198 | R | 98.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 176 | -164.3 | 176 | -54.1 | 99.9 | 4 | 111.2 | P194 A195 S196 I200 S201 D202 E210 I213 | P194-R198 WeakPolarHBondContact O-CB 3.09Å; P194-R198 PolarHBondContact O-N 2.89Å; A195-R198 PolarHBondContact O-N 3.44Å; S196-R198 VanDerWaalsContact C-N 3.33Å; S196-R198 PolarHBondContact O-N 2.7Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 3.13Å; R198-S201 WeakPolarHBondContact O-CB 3.26Å; R198-S201 PolarHBondContact O-N 3.18Å; R198-S201 VanDerWaalsContact O-N 3.13Å; R198-D202 PolarHBondContact O-N 3.47Å; R198-E210 IonicContact CZ-OE2 3.81Å; R198-E210 IonicContact NE-OE2 3.13Å; R198-E210 PolarHBondContact NE-OE2 2.97Å; R198-E210 VanDerWaalsContact NE-OE2 3.17Å; R198-E210 IonicContact NH2-OE1 2.8Å; R198-E210 PolarHBondContact NH2-OE1 3.17Å; R198-E210 IonicContact NH2-OE2 2.68Å; R198-E210 PolarHBondContact NH2-OE2 2.79Å; R198-I213 HydrophobicContact CB-CD1 3.89Å; R198-I213 HydrophobicContact CG-CD1 3.79Å |
| 199 | R | 98.5 | Very high | 97.4 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 176.3 | -72.5 | 175.9 | 66.9 | -164.4 | -1.4 | 112.6 | E188 A195 S196 F203 | E188-R199 IonicContact OE1-CZ 3.78Å; E188-R199 IonicContact OE1-NH1 3.89Å; E188-R199 PolarHBondContact OE1-NH1 3.49Å; E188-R199 IonicContact OE2-NH1 2.76Å; A195-R199 WeakPolarHBondContact O-CG 3.44Å; A195-R199 PolarHBondContact O-N 3.24Å; S196-R199 PolarHBondContact O-N 3.22Å; R199-F203 VanDerWaalsContact O-CB 3.23Å; R199-F203 WeakPolarHBondContact O-CB 3.22Å; R199-F203 PolarHBondContact O-N 3.46Å |
| 200 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 176.1 | -65.5 | 160.6 | 0 | 0 | 0 | 110.3 | M52 I55 L56 V59 V119 L182 I184 S196 I197 R198 D202 F203 L204 | M52-I200 HydrophobicContact CE-CD1 4.02Å; I55-I200 HydrophobicContact CG2-CD1 4.03Å; L56-I200 HydrophobicContact CD2-CG2 4.12Å; V59-I200 HydrophobicContact CG1-CG2 4.39Å; V59-I200 HydrophobicContact CG2-CG2 4.47Å; V119-I200 HydrophobicContact CG1-CG1 4.36Å; V119-I200 HydrophobicContact CG2-CG2 4.4Å; L182-I200 HydrophobicContact CD2-CG1 4.08Å; I184-I200 HydrophobicContact CD1-CD1 3.83Å; I184-I200 HydrophobicContact CD1-CG1 4.2Å; S196-I200 WeakPolarHBondContact O-CD1 3.21Å; S196-I200 VanDerWaalsContact O-CG1 3.28Å; S196-I200 WeakPolarHBondContact O-CG1 3.23Å; S196-I200 PolarHBondContact O-N 2.97Å; I197-I200 PolarHBondContact O-N 3.46Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-I200 PolarHBondContact O-N 3.13Å; I200-D202 PolarHBondContact O-N 3.22Å; I200-F203 PolarHBondContact O-N 2.98Å; I200-L204 HydrophobicContact CG2-CD1 3.75Å; I200-L204 HydrophobicContact CG2-CG 4.3Å; I200-L204 WeakPolarHBondContact O-CB 3.36Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.4Å; I200-L204 PolarHBondContact O-N 3.19Å |
| 201 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 178 | 160 | 0 | 0 | 0 | 0 | 112.2 | I197 R198 L204 H205 Q206 N207 L208 | I197-S201 WeakPolarHBondContact O-CB 3.27Å; I197-S201 PolarHBondContact O-N 3.02Å; R198-S201 WeakPolarHBondContact O-CB 3.26Å; R198-S201 PolarHBondContact O-N 3.18Å; R198-S201 VanDerWaalsContact O-N 3.13Å; S201-L204 CarbonylContact O-C 3.56Å; S201-L204 PolarHBondContact O-N 3.4Å; S201-H205 PolarHBondContact O-N 2.87Å; S201-Q206 PolarHBondContact O-N 3.49Å; S201-N207 PolarHBondContact OG-N 3.24Å; S201-L208 WeakPolarHBondContact OG-CG 3.4Å; S201-L208 PolarHBondContact OG-N 3.38Å |
| 202 | D | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -179 | -62.1 | -15.1 | 0 | 0 | 0 | 110.7 | R198 I200 L204 H205 | R198-D202 PolarHBondContact O-N 3.47Å; I200-D202 PolarHBondContact O-N 3.22Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.93Å; D202-H205 PolarHBondContact O-N 2.98Å; D202-H205 PolarHBondContact O-ND1 3.11Å |
| 203 | F | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 174.7 | 170 | -107.4 | 0 | 0 | 0 | 112.4 | K117 V118 V119 D179 L182 R199 I200 H205 | K117-F203 HydrophobicContact CB-CE1 3.9Å; K117-F203 HydrophobicContact CB-CZ 3.95Å; K117-F203 HydrophobicContact CD-CE1 4.1Å; K117-F203 HydrophobicContact CD-CE2 4.5Å; K117-F203 HydrophobicContact CD-CZ 4.05Å; K117-F203 HydrophobicContact CG-CE1 4.43Å; K117-F203 HydrophobicContact CG-CZ 4.19Å; K117-F203 PolarHBondContact NZ-O 2.67Å; V118-F203 WeakPolarHBondContact O-CE1 3.46Å; V118-F203 WeakPolarHBondContact O-CZ 3.48Å; V119-F203 HydrophobicContact CG2-CD1 4.16Å; V119-F203 HydrophobicContact CG2-CE1 4.02Å; D179-F203 VanDerWaalsContact O-CE2 3.24Å; D179-F203 WeakPolarHBondContact O-CE2 3.4Å; L182-F203 HydrophobicContact CB-CB 4.44Å; L182-F203 HydrophobicContact CB-CD1 3.68Å; L182-F203 HydrophobicContact CB-CD2 3.77Å; L182-F203 HydrophobicContact CB-CE1 3.74Å; L182-F203 HydrophobicContact CB-CE2 3.8Å; L182-F203 HydrophobicContact CB-CG 3.7Å; L182-F203 HydrophobicContact CB-CZ 3.79Å; L182-F203 HydrophobicContact CD2-CB 3.85Å; L182-F203 HydrophobicContact CD2-CD1 4.01Å; L182-F203 HydrophobicContact CD2-CG 3.96Å; L182-F203 HydrophobicContact CG-CD1 4.47Å; L182-F203 HydrophobicContact CG-CG 4.32Å; R199-F203 VanDerWaalsContact O-CB 3.23Å; R199-F203 WeakPolarHBondContact O-CB 3.22Å; R199-F203 PolarHBondContact O-N 3.46Å; I200-F203 PolarHBondContact O-N 2.98Å; F203-H205 VanDerWaalsContact C-N 3.26Å; F203-H205 PolarHBondContact O-N 3.44Å |
| 204 | L | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4 | 177.5 | -61.6 | -179.6 | 0 | 0 | 0 | 113.5 | V39 L56 V59 L60 K117 I200 S201 D202 Q206 | V39-L204 HydrophobicContact CB-CD2 4.38Å; V39-L204 HydrophobicContact CG1-CD1 3.98Å; V39-L204 HydrophobicContact CG1-CD2 3.64Å; V39-L204 HydrophobicContact CG1-CG 4.47Å; V39-L204 HydrophobicContact CG2-CD1 4.45Å; V39-L204 HydrophobicContact CG2-CD2 3.75Å; L56-L204 HydrophobicContact CD2-CD1 4.14Å; V59-L204 HydrophobicContact CG1-CD1 4.08Å; L60-L204 HydrophobicContact CD2-CD1 4.17Å; K117-L204 HydrophobicContact CB-CD2 4.12Å; K117-L204 HydrophobicContact CD-CD2 4Å; I200-L204 HydrophobicContact CG2-CD1 3.75Å; I200-L204 HydrophobicContact CG2-CG 4.3Å; I200-L204 WeakPolarHBondContact O-CB 3.36Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.4Å; I200-L204 PolarHBondContact O-N 3.19Å; S201-L204 CarbonylContact O-C 3.56Å; S201-L204 PolarHBondContact O-N 3.4Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.93Å; L204-Q206 HydrophobicContact CB-CG 4.09Å; L204-Q206 PolarHBondContact O-N 3.28Å; L204-Q206 PolarHBondContact O-NE2 3.36Å |
| 205 | H | 96.9 | Very high | 98.1 | Very high | 130 Ų | 130 | 55.4 Ų | 55.4 | 60% | 0.602 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 28.9 | -177.7 | -50.1 | -44.1 | 0 | 0 | 0 | 114.3 | K117 S201 D202 F203 N207 | K117-H205 PolarHBondContact NZ-CD2 2.9Å; K117-H205 PolarHBondContact NZ-NE2 3.24Å; S201-H205 PolarHBondContact O-N 2.87Å; D202-H205 PolarHBondContact O-N 2.98Å; D202-H205 PolarHBondContact O-ND1 3.11Å; F203-H205 VanDerWaalsContact C-N 3.26Å; F203-H205 PolarHBondContact O-N 3.44Å; H205-N207 PolarHBondContact O-ND2 3.14Å |
| 206 | Q | 97.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | trans | -80.7 | -27.1 | 174.5 | -61.9 | -54.6 | -54.9 | 0 | 0 | 112 | V59 L60 S201 L204 L208 | V59-Q206 HydrophobicContact CG1-CB 4.27Å; V59-Q206 HydrophobicContact CG1-CG 3.95Å; L60-Q206 HydrophobicContact CD2-CG 4.46Å; S201-Q206 PolarHBondContact O-N 3.49Å; L204-Q206 HydrophobicContact CB-CG 4.09Å; L204-Q206 PolarHBondContact O-N 3.28Å; L204-Q206 PolarHBondContact O-NE2 3.36Å; Q206-L208 VanDerWaalsContact C-N 3.28Å; Q206-L208 HydrophobicContact CB-CD2 4.08Å; Q206-L208 HydrophobicContact CB-CG 4.1Å; Q206-L208 PolarHBondContact O-N 2.85Å | ||
| 207 | N | 94.4 | Very high | 98.1 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 60% | 0.599 | 26% | 0.261 | S | S | * | . | trans | 47.7 | 48.3 | 176 | -56.1 | -61.3 | 0 | 0 | 0 | 112.9 | S201 H205 | S201-N207 PolarHBondContact OG-N 3.24Å; H205-N207 PolarHBondContact O-ND2 3.14Å | ||
| 208 | L | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | trans | -62 | 144.7 | -177.4 | -58.7 | -180 | 0 | 0 | 0 | 111.6 | V59 S201 Q206 V212 I213 I216 | V59-L208 HydrophobicContact CB-CD1 4.33Å; V59-L208 HydrophobicContact CG1-CD1 4.16Å; V59-L208 HydrophobicContact CG2-CD1 4.23Å; S201-L208 WeakPolarHBondContact OG-CG 3.4Å; S201-L208 PolarHBondContact OG-N 3.38Å; Q206-L208 VanDerWaalsContact C-N 3.28Å; Q206-L208 HydrophobicContact CB-CD2 4.08Å; Q206-L208 HydrophobicContact CB-CG 4.1Å; Q206-L208 PolarHBondContact O-N 2.85Å; L208-V212 HydrophobicContact CB-CB 4.34Å; L208-V212 HydrophobicContact CB-CG1 4.21Å; L208-V212 HydrophobicContact CD1-CG1 4.07Å; L208-V212 HydrophobicContact CD2-CG1 4.21Å; L208-V212 HydrophobicContact CG-CG1 4.39Å; L208-I213 HydrophobicContact CB-CD1 4.43Å; L208-I213 HydrophobicContact CB-CG1 3.98Å; L208-I216 HydrophobicContact CD1-CD1 3.73Å | ||
| 209 | S | 98.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | trans | -68.5 | 158.2 | 173.7 | 87.2 | 0 | 0 | 0 | 0 | 111.2 | E211 V212 I213 | S209-E211 WeakPolarHBondContact CB-OE2 3.43Å; S209-E211 PolarHBondContact O-N 3.49Å; S209-E211 PolarHBondContact OG-N 2.91Å; S209-E211 PolarHBondContact OG-OE2 3.24Å; S209-V212 PolarHBondContact O-N 3Å; S209-V212 VanDerWaalsContact O-N 3.09Å; S209-V212 PolarHBondContact OG-N 3.05Å; S209-I213 WeakPolarHBondContact O-CG1 3.28Å; S209-I213 PolarHBondContact O-N 3.16Å | ||
| 210 | E | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -36.2 | 179.1 | -171.9 | 57.5 | -151.5 | 0 | 0 | 111.6 | R198 V212 I213 Q214 | R198-E210 IonicContact CZ-OE2 3.81Å; R198-E210 IonicContact NE-OE2 3.13Å; R198-E210 PolarHBondContact NE-OE2 2.97Å; R198-E210 VanDerWaalsContact NE-OE2 3.17Å; R198-E210 IonicContact NH2-OE1 2.8Å; R198-E210 PolarHBondContact NH2-OE1 3.17Å; R198-E210 IonicContact NH2-OE2 2.68Å; R198-E210 PolarHBondContact NH2-OE2 2.79Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.14Å; E210-I213 PolarHBondContact O-N 3.35Å; E210-Q214 HydrophobicContact CG-CG 4.42Å; E210-Q214 VanDerWaalsContact O-CG 3.27Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.05Å; E210-Q214 PolarHBondContact OE1-NE2 3.47Å |
| 211 | E | 98.4 | Very high | 97.4 | Very high | 143 Ų | 143 | 55.3 Ų | 55.3 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 176.7 | -56.5 | 77.5 | -165.9 | 0 | 0 | 111.8 | S209 K215 | S209-E211 WeakPolarHBondContact CB-OE2 3.43Å; S209-E211 PolarHBondContact O-N 3.49Å; S209-E211 PolarHBondContact OG-N 2.91Å; S209-E211 PolarHBondContact OG-OE2 3.24Å; E211-K215 WeakPolarHBondContact O-CB 3.29Å; E211-K215 PolarHBondContact O-N 2.98Å |
| 212 | V | 98.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | G62 L208 S209 E210 Q214 K215 I216 | G62-V212 WeakPolarHBondContact O-CG1 3.34Å; L208-V212 HydrophobicContact CB-CB 4.34Å; L208-V212 HydrophobicContact CB-CG1 4.21Å; L208-V212 HydrophobicContact CD1-CG1 4.07Å; L208-V212 HydrophobicContact CD2-CG1 4.21Å; L208-V212 HydrophobicContact CG-CG1 4.39Å; S209-V212 PolarHBondContact O-N 3Å; S209-V212 VanDerWaalsContact O-N 3.09Å; S209-V212 PolarHBondContact OG-N 3.05Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.14Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 3.19Å; V212-K215 WeakPolarHBondContact O-CB 2.95Å; V212-K215 PolarHBondContact O-N 3.35Å; V212-I216 HydrophobicContact CG1-CD1 3.91Å; V212-I216 HydrophobicContact CG1-CG1 4.33Å; V212-I216 WeakPolarHBondContact O-CG1 3.38Å; V212-I216 PolarHBondContact O-N 2.89Å |
| 213 | I | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 177.6 | -69.5 | 167.5 | 0 | 0 | 0 | 110.7 | P194 I197 R198 L208 S209 E210 K215 I216 A217 | P194-I213 HydrophobicContact CB-CG2 4Å; P194-I213 WeakPolarHBondContact O-CG2 3.48Å; I197-I213 HydrophobicContact CB-CG2 4.21Å; I197-I213 HydrophobicContact CG2-CB 4.43Å; I197-I213 HydrophobicContact CG2-CG1 4.18Å; I197-I213 HydrophobicContact CG2-CG2 4.07Å; R198-I213 HydrophobicContact CB-CD1 3.89Å; R198-I213 HydrophobicContact CG-CD1 3.79Å; L208-I213 HydrophobicContact CB-CD1 4.43Å; L208-I213 HydrophobicContact CB-CG1 3.98Å; S209-I213 WeakPolarHBondContact O-CG1 3.28Å; S209-I213 PolarHBondContact O-N 3.16Å; E210-I213 PolarHBondContact O-N 3.35Å; I213-K215 VanDerWaalsContact C-N 3.34Å; I213-K215 PolarHBondContact O-N 3.06Å; I213-I216 PolarHBondContact O-N 2.89Å; I213-A217 WeakPolarHBondContact O-CB 3.49Å; I213-A217 PolarHBondContact O-N 3.41Å |
| 214 | Q | 98.4 | Very high | 96 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.2 | -67.5 | -62 | -26.8 | 0 | 0 | 112.1 | E210 V212 A217 K218 | E210-Q214 HydrophobicContact CG-CG 4.42Å; E210-Q214 VanDerWaalsContact O-CG 3.27Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.05Å; E210-Q214 PolarHBondContact OE1-NE2 3.47Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 3.19Å; Q214-A217 PolarHBondContact O-N 3.4Å; Q214-K218 WeakPolarHBondContact O-CB 3.44Å; Q214-K218 PolarHBondContact O-N 3.18Å |
| 215 | K | 98.1 | Very high | 95.6 | Very high | 98 Ų | 98 | 61 Ų | 61 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 173.9 | -177.8 | -169.1 | 177.8 | -163.6 | 0 | 111.3 | G63 E211 V212 I213 K218 H219 | G63-K215 PolarHBondContact O-NZ 3.25Å; E211-K215 WeakPolarHBondContact O-CB 3.29Å; E211-K215 PolarHBondContact O-N 2.98Å; V212-K215 WeakPolarHBondContact O-CB 2.95Å; V212-K215 PolarHBondContact O-N 3.35Å; I213-K215 VanDerWaalsContact C-N 3.34Å; I213-K215 PolarHBondContact O-N 3.06Å; K215-K218 PolarHBondContact O-N 2.77Å; K215-H219 PolarHBondContact O-N 3.18Å; K215-H219 VanDerWaalsContact O-N 3.09Å |
| 216 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177 | -64.6 | 174.4 | 0 | 0 | 0 | 109.7 | L58 V59 I197 L208 V212 I213 K218 H219 C220 | L58-I216 HydrophobicContact CB-CD1 3.99Å; L58-I216 HydrophobicContact CB-CG1 4Å; L58-I216 HydrophobicContact CB-CG2 3.95Å; L58-I216 HydrophobicContact CD1-CG2 3.94Å; V59-I216 HydrophobicContact CG2-CD1 4.33Å; I197-I216 HydrophobicContact CD1-CB 4.16Å; I197-I216 HydrophobicContact CD1-CG2 3.65Å; I197-I216 HydrophobicContact CG1-CG2 4.35Å; I197-I216 HydrophobicContact CG2-CG2 4.36Å; L208-I216 HydrophobicContact CD1-CD1 3.73Å; V212-I216 HydrophobicContact CG1-CD1 3.91Å; V212-I216 HydrophobicContact CG1-CG1 4.33Å; V212-I216 WeakPolarHBondContact O-CG1 3.38Å; V212-I216 PolarHBondContact O-N 2.89Å; I213-I216 PolarHBondContact O-N 2.89Å; I216-K218 VanDerWaalsContact C-N 3.3Å; I216-K218 PolarHBondContact O-N 3.36Å; I216-H219 PolarHBondContact O-N 3.43Å; I216-C220 WeakPolarHBondContact O-CB 3.4Å; I216-C220 PolarHBondContact O-N 3.14Å; I216-C220 PolarHBondContact O-SG 3.42Å |
| 217 | A | 97.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L193 P194 I197 I213 Q214 C220 S221 | L193-A217 HydrophobicContact CD2-CB 4.01Å; L193-A217 WeakPolarHBondContact CD2-O 3.3Å; L193-A217 HydrophobicContact CG-CB 4.15Å; P194-A217 HydrophobicContact CG-CB 3.77Å; I197-A217 HydrophobicContact CD1-CB 3.82Å; I213-A217 WeakPolarHBondContact O-CB 3.49Å; I213-A217 PolarHBondContact O-N 3.41Å; Q214-A217 PolarHBondContact O-N 3.4Å; A217-C220 CarbonylContact O-C 3.59Å; A217-S221 PolarHBondContact O-N 3.01Å |
| 218 | K | 96.6 | Very high | 94.7 | Very high | 164 Ų | 164 | 55.5 Ų | 55.5 | 71% | 0.713 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.1 | -175 | 179.4 | 179.8 | -179.8 | 0 | 112 | Q214 K215 I216 S221 S224 | Q214-K218 WeakPolarHBondContact O-CB 3.44Å; Q214-K218 PolarHBondContact O-N 3.18Å; K215-K218 PolarHBondContact O-N 2.77Å; I216-K218 VanDerWaalsContact C-N 3.3Å; I216-K218 PolarHBondContact O-N 3.36Å; K218-S221 VanDerWaalsContact O-CB 3.32Å; K218-S221 WeakPolarHBondContact O-CB 3.39Å; K218-S221 PolarHBondContact O-N 2.96Å; K218-S221 PolarHBondContact O-OG 3.42Å; K218-S224 PolarHBondContact O-OG 2.74Å |
| 219 | H | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 13% | 0.13 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177.9 | -168.7 | 82.1 | 0 | 0 | 0 | 112.2 | E54 L65 V68 K215 I216 S221 S224 | E54-H219 IonicContact OE1-CD2 3.7Å; E54-H219 PolarHBondContact OE1-CD2 3.11Å; E54-H219 IonicContact OE1-NE2 3.24Å; E54-H219 PolarHBondContact OE1-NE2 3.48Å; E54-H219 VanDerWaalsContact OE1-NE2 3.16Å; L65-H219 HydrophobicContact CD2-CB 4.06Å; V68-H219 VanDerWaalsContact CG2-NE2 3.33Å; V68-H219 WeakPolarHBondContact CG2-NE2 3.38Å; K215-H219 PolarHBondContact O-N 3.18Å; K215-H219 VanDerWaalsContact O-N 3.09Å; I216-H219 PolarHBondContact O-N 3.43Å; H219-S221 PolarHBondContact O-N 2.86Å; H219-S221 VanDerWaalsContact O-N 3.14Å; H219-S224 WeakPolarHBondContact O-CB 3.32Å |
| 220 | C | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 14.5 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | W51 E54 I55 L193 I216 A217 | W51-C220 PolarHBondContact NE1-O 2.79Å; E54-C220 VanDerWaalsContact CG-SG 3.55Å; I55-C220 HydrophobicContact CG1-CB 4.11Å; L193-C220 HydrophobicContact CD2-CB 3.96Å; I216-C220 WeakPolarHBondContact O-CB 3.4Å; I216-C220 PolarHBondContact O-N 3.14Å; I216-C220 PolarHBondContact O-SG 3.42Å; A217-C220 CarbonylContact O-C 3.59Å |
| 221 | S | 92.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -67.1 | 148 | 173 | 94.1 | 0 | 0 | 0 | 0 | 110.1 | A217 K218 H219 Q223 S224 M225 | A217-S221 PolarHBondContact O-N 3.01Å; K218-S221 VanDerWaalsContact O-CB 3.32Å; K218-S221 WeakPolarHBondContact O-CB 3.39Å; K218-S221 PolarHBondContact O-N 2.96Å; K218-S221 PolarHBondContact O-OG 3.42Å; H219-S221 PolarHBondContact O-N 2.86Å; H219-S221 VanDerWaalsContact O-N 3.14Å; S221-Q223 PolarHBondContact O-N 3.43Å; S221-S224 PolarHBondContact O-N 2.99Å; S221-S224 VanDerWaalsContact O-N 3.12Å; S221-S224 VanDerWaalsContact OG-CB 3.29Å; S221-S224 WeakPolarHBondContact OG-CB 3.39Å; S221-S224 PolarHBondContact OG-N 2.87Å; S221-S224 PolarHBondContact OG-OG 3.45Å; S221-M225 PolarHBondContact O-N 3.21Å |
| 222 | F | 86.7 | Confident | 93.1 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -40 | 179.1 | 175.9 | -105.3 | 0 | 0 | 0 | 112.8 | K226 L249 G252 R253 | F222-K226 HydrophobicContact CE1-CD 4.32Å; F222-K226 HydrophobicContact CZ-CD 4.35Å; F222-K226 WeakPolarHBondContact O-CB 3.16Å; F222-K226 PolarHBondContact O-N 3.07Å; F222-L249 HydrophobicContact CE2-CB 3.78Å; F222-L249 HydrophobicContact CE2-CD2 4.49Å; F222-L249 HydrophobicContact CZ-CB 4.31Å; F222-L249 VanDerWaalsContact CZ-O 3.3Å; F222-L249 WeakPolarHBondContact CZ-O 3.45Å; F222-G252 VanDerWaalsContact CD2-CA 3.43Å; F222-G252 VanDerWaalsContact CE2-CA 3.47Å; F222-R253 HydrophobicContact CB-CG 3.75Å; F222-R253 HydrophobicContact CG-CG 4.44Å |
| 223 | Q | 87.6 | Confident | 92.5 | Very high | 149 Ų | 149 | 46.2 Ų | 46.2 | 70% | 0.696 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.9 | -44.9 | 177.8 | -70.6 | 176.1 | -27.2 | 0 | 0 | 111.4 | S221 K226 A227 | S221-Q223 PolarHBondContact O-N 3.43Å; Q223-K226 PolarHBondContact O-N 3.09Å; Q223-A227 PolarHBondContact O-N 3.3Å; Q223-A227 VanDerWaalsContact O-N 3.12Å |
| 224 | S | 91.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | K218 H219 S221 K226 A227 N228 | K218-S224 PolarHBondContact O-OG 2.74Å; H219-S224 WeakPolarHBondContact O-CB 3.32Å; S221-S224 PolarHBondContact O-N 2.99Å; S221-S224 VanDerWaalsContact O-N 3.12Å; S221-S224 VanDerWaalsContact OG-CB 3.29Å; S221-S224 WeakPolarHBondContact OG-CB 3.39Å; S221-S224 PolarHBondContact OG-N 2.87Å; S221-S224 PolarHBondContact OG-OG 3.45Å; S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 3.43Å; S224-A227 PolarHBondContact O-N 2.96Å; S224-A227 VanDerWaalsContact O-N 3.15Å; S224-N228 PolarHBondContact O-N 3.43Å |
| 225 | M | 91.2 | Very high | 91.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 178.2 | -70.9 | -171.2 | 69.7 | 0 | 0 | 112 | I50 W51 E54 S221 A227 N228 L249 | I50-M225 HydrophobicContact CG2-CE 3.94Å; I50-M225 WeakPolarHBondContact O-CE 3.35Å; W51-M225 HydrophobicContact CG-SD 4.36Å; E54-M225 HydrophobicContact CB-CE 3.8Å; E54-M225 HydrophobicContact CB-SD 4.13Å; E54-M225 HydrophobicContact CG-CE 4.19Å; E54-M225 HydrophobicContact CG-CG 4.32Å; E54-M225 HydrophobicContact CG-SD 4.26Å; S221-M225 PolarHBondContact O-N 3.21Å; M225-A227 PolarHBondContact O-N 2.85Å; M225-N228 PolarHBondContact O-N 2.8Å; M225-N228 VanDerWaalsContact O-N 3.14Å; M225-L249 HydrophobicContact CB-CD1 4.17Å |
| 226 | K | 87.7 | Confident | 90.5 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -32.7 | 175.7 | -171.2 | 174.1 | -178.5 | 177.7 | 0 | 112.4 | F222 Q223 S224 N232 L249 | F222-K226 HydrophobicContact CE1-CD 4.32Å; F222-K226 HydrophobicContact CZ-CD 4.35Å; F222-K226 WeakPolarHBondContact O-CB 3.16Å; F222-K226 PolarHBondContact O-N 3.07Å; Q223-K226 PolarHBondContact O-N 3.09Å; S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 3.43Å; K226-N232 PolarHBondContact O-ND2 2.86Å; K226-L249 HydrophobicContact CB-CD1 4.19Å |
| 227 | A | 89.9 | Confident | 89.9 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 67% | 0.669 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -82.6 | -18.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q223 S224 M225 T229 | Q223-A227 PolarHBondContact O-N 3.3Å; Q223-A227 VanDerWaalsContact O-N 3.12Å; S224-A227 PolarHBondContact O-N 2.96Å; S224-A227 VanDerWaalsContact O-N 3.15Å; M225-A227 PolarHBondContact O-N 2.85Å; A227-T229 PolarHBondContact O-N 3.08Å |
| 228 | N | 91.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -81.4 | 107 | 179.8 | -173.3 | 5.3 | 0 | 0 | 0 | 111 | E54 V68 S224 M225 M230 S231 N232 | E54-N228 PolarHBondContact OE1-ND2 3.37Å; E54-N228 VanDerWaalsContact OE1-ND2 3.16Å; V68-N228 PolarHBondContact O-ND2 2.88Å; S224-N228 PolarHBondContact O-N 3.43Å; M225-N228 PolarHBondContact O-N 2.8Å; M225-N228 VanDerWaalsContact O-N 3.14Å; N228-M230 PolarHBondContact O-N 3.45Å; N228-M230 VanDerWaalsContact O-N 3.14Å; N228-M230 WeakPolarHBondContact OD1-CB 3.39Å; N228-M230 PolarHBondContact OD1-N 2.92Å; N228-M230 VanDerWaalsContact OD1-N 3.11Å; N228-S231 PolarHBondContact ND2-OG 2.99Å; N228-S231 PolarHBondContact O-N 3.46Å; N228-N232 WeakPolarHBondContact O-CB 3.37Å; N228-N232 PolarHBondContact O-N 3.14Å; N228-N232 PolarHBondContact O-OD1 2.93Å | ||
| 229 | T | 92.1 | Very high | 88.7 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.5 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | A227 S231 N232 | A227-T229 PolarHBondContact O-N 3.08Å; T229-S231 VanDerWaalsContact C-N 3.29Å; T229-S231 PolarHBondContact O-N 3.4Å; T229-N232 WeakPolarHBondContact CA-OD1 3.33Å |
| 230 | M | 94.1 | Very high | 88 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.5 | 175.6 | -61.9 | -58.4 | 129.4 | 0 | 0 | 114 | V68 Q69 V72 N73 N228 L235 | V68-M230 WeakPolarHBondContact O-CB 3.32Å; Q69-M230 WeakPolarHBondContact O-CG 3.46Å; V72-M230 WeakPolarHBondContact CA-O 3.2Å; V72-M230 HydrophobicContact CG1-SD 3.75Å; N73-M230 PolarHBondContact N-O 3.35Å; N73-M230 PolarHBondContact OD1-O 3.2Å; N228-M230 PolarHBondContact O-N 3.45Å; N228-M230 VanDerWaalsContact O-N 3.14Å; N228-M230 WeakPolarHBondContact OD1-CB 3.39Å; N228-M230 PolarHBondContact OD1-N 2.92Å; N228-M230 VanDerWaalsContact OD1-N 3.11Å; M230-L235 HydrophobicContact CE-CD1 3.71Å; M230-L235 HydrophobicContact SD-CD1 4.22Å |
| 231 | S | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -12.4 | -173.6 | -55.1 | 0 | 0 | 0 | 0 | 114.1 | I50 E54 R76 N228 T229 | I50-S231 WeakPolarHBondContact CG2-O 3.45Å; E54-S231 VanDerWaalsContact CD-OG 3.32Å; E54-S231 PolarHBondContact OE1-OG 2.87Å; E54-S231 WeakPolarHBondContact OE2-CB 3.29Å; E54-S231 PolarHBondContact OE2-OG 3.23Å; R76-S231 PolarHBondContact NH2-OG 2.96Å; N228-S231 PolarHBondContact ND2-OG 2.99Å; N228-S231 PolarHBondContact O-N 3.46Å; T229-S231 VanDerWaalsContact C-N 3.29Å; T229-S231 PolarHBondContact O-N 3.4Å |
| 232 | N | 85.4 | Confident | 87.1 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -93.3 | 1.5 | -177.3 | 71.6 | 3.9 | 0 | 0 | 0 | 114.8 | K226 N228 T229 S234 L249 | K226-N232 PolarHBondContact O-ND2 2.86Å; N228-N232 WeakPolarHBondContact O-CB 3.37Å; N228-N232 PolarHBondContact O-N 3.14Å; N228-N232 PolarHBondContact O-OD1 2.93Å; T229-N232 WeakPolarHBondContact CA-OD1 3.33Å; N232-S234 PolarHBondContact O-N 3.47Å; N232-S234 VanDerWaalsContact OD1-CB 3.22Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.25Å; N232-S234 PolarHBondContact OD1-OG 3.28Å; N232-L249 HydrophobicContact CB-CD1 3.94Å |
| 233 | F | 85.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 64.1 | 14.3 | -177.3 | -69.3 | -106.5 | 0 | 0 | 0 | 115.5 | I50 N73 W74 W79 L235 C236 M241 F248 | I50-F233 HydrophobicContact CD1-CE2 3.48Å; I50-F233 VanDerWaalsContact CD1-CE2 3.48Å; I50-F233 HydrophobicContact CD1-CZ 3.51Å; I50-F233 HydrophobicContact CG1-CE2 3.73Å; I50-F233 HydrophobicContact CG1-CZ 4.24Å; I50-F233 HydrophobicContact CG2-CE2 4Å; N73-F233 WeakPolarHBondContact ND2-CE2 3.43Å; N73-F233 WeakPolarHBondContact ND2-CZ 3.42Å; W74-F233 AromaticContact CE3-CD1 3.97Å; W74-F233 HydrophobicContact CE3-CD1 3.97Å; W74-F233 AromaticContact CE3-CE1 3.54Å; W74-F233 HydrophobicContact CE3-CE1 3.54Å; W74-F233 AromaticContact CE3-CZ 3.9Å; W74-F233 HydrophobicContact CE3-CZ 3.9Å; W74-F233 HydrophobicContact CH2-CD1 4.37Å; W74-F233 AromaticContact CZ3-CD1 3.42Å; W74-F233 HydrophobicContact CZ3-CD1 3.42Å; W74-F233 VanDerWaalsContact CZ3-CD1 3.42Å; W74-F233 HydrophobicContact CZ3-CD2 4.41Å; W74-F233 AromaticContact CZ3-CE1 3.51Å; W74-F233 HydrophobicContact CZ3-CE1 3.51Å; W74-F233 HydrophobicContact CZ3-CE2 4.46Å; W74-F233 AromaticContact CZ3-CG 3.89Å; W74-F233 HydrophobicContact CZ3-CG 3.89Å; W74-F233 HydrophobicContact CZ3-CZ 4.05Å; W79-F233 HydrophobicContact CH2-CZ 4.14Å; F233-L235 PolarHBondContact O-N 3.28Å; F233-C236 HydrophobicContact CB-CB 4.47Å; F233-C236 VanDerWaalsContact O-CB 3.23Å; F233-C236 WeakPolarHBondContact O-CB 3.35Å; F233-C236 PolarHBondContact O-N 3.49Å; F233-M241 HydrophobicContact CB-SD 4.21Å; F233-M241 HydrophobicContact CD1-CE 3.93Å; F233-M241 HydrophobicContact CD1-SD 3.8Å; F233-M241 HydrophobicContact CE1-CE 4.21Å; F233-M241 HydrophobicContact CG-SD 4.3Å; F233-F248 HydrophobicContact CB-CB 4.44Å; F233-F248 HydrophobicContact CB-CG 4.39Å; F233-F248 AromaticContact CD2-CD1 3.95Å; F233-F248 HydrophobicContact CD2-CD1 3.95Å; F233-F248 HydrophobicContact CD2-CD2 4.32Å; F233-F248 HydrophobicContact CD2-CE1 4.09Å; F233-F248 HydrophobicContact CD2-CE2 4.36Å; F233-F248 HydrophobicContact CD2-CG 4.11Å; F233-F248 HydrophobicContact CD2-CZ 4.26Å; F233-F248 HydrophobicContact CE2-CD1 4.35Å; F233-F248 HydrophobicContact CE2-CE1 4.01Å; F233-F248 HydrophobicContact CE2-CE2 4.36Å; F233-F248 AromaticContact CE2-CZ 3.98Å; F233-F248 HydrophobicContact CE2-CZ 3.98Å; F233-F248 HydrophobicContact CG-CD2 4.22Å; F233-F248 HydrophobicContact CG-CE2 4.46Å; F233-F248 HydrophobicContact CG-CG 4.27Å; F233-F248 HydrophobicContact CZ-CE2 4.43Å; F233-F248 HydrophobicContact CZ-CZ 4.24Å |
| 234 | S | 84.5 | Confident | 86.2 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.9 | 176.5 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | N232 | N232-S234 PolarHBondContact O-N 3.47Å; N232-S234 VanDerWaalsContact OD1-CB 3.22Å; N232-S234 WeakPolarHBondContact OD1-CB 3.43Å; N232-S234 PolarHBondContact OD1-N 3.25Å; N232-S234 PolarHBondContact OD1-OG 3.28Å |
| 235 | L | 85.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 47% | 0.466 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.2 | 173.6 | -61.4 | 178.1 | 0 | 0 | 0 | 112.6 | V72 M230 F233 | V72-L235 HydrophobicContact CG1-CD1 3.83Å; M230-L235 HydrophobicContact CE-CD1 3.71Å; M230-L235 HydrophobicContact SD-CD1 4.22Å; F233-L235 PolarHBondContact O-N 3.28Å |
| 236 | C | 83.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.1 | 128.7 | 172.7 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | F233 M241 | F233-C236 HydrophobicContact CB-CB 4.47Å; F233-C236 VanDerWaalsContact O-CB 3.23Å; F233-C236 WeakPolarHBondContact O-CB 3.35Å; F233-C236 PolarHBondContact O-N 3.49Å; C236-M241 HydrophobicContact CB-CB 4.48Å; C236-M241 HydrophobicContact CB-SD 4.41Å |
| 237 | P | 86.1 | Confident | 84.1 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | trans | -57.4 | 146.3 | 178.5 | -22.3 | 30.2 | 0 | 0 | 0 | 112.3 | E239 Y240 M241 | P237-E239 WeakPolarHBondContact CB-OE2 3.39Å; P237-E239 PolarHBondContact O-N 3.4Å; P237-Y240 HydrophobicContact CB-CD2 3.77Å; P237-Y240 HydrophobicContact CB-CE2 4.18Å; P237-Y240 HydrophobicContact CG-CD2 3.84Å; P237-Y240 HydrophobicContact CG-CE2 4.03Å; P237-Y240 PolarHBondContact O-N 2.95Å; P237-M241 PolarHBondContact O-N 2.88Å; P237-M241 VanDerWaalsContact O-N 3.13Å | ||
| 238 | K | 83.5 | Confident | 83.3 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.9 | -176.1 | -171.5 | 176 | 176.3 | 177.7 | 0 | 112.1 | Y240 D242 D244 | K238-Y240 PolarHBondContact O-N 2.91Å; K238-D242 WeakPolarHBondContact CE-OD1 3.27Å; K238-D242 IonicContact NZ-OD1 3.42Å; K238-D244 WeakPolarHBondContact CE-OD2 3.38Å; K238-D244 IonicContact NZ-OD2 3.85Å; K238-D244 PolarHBondContact NZ-OD2 3.44Å |
| 239 | E | 84.4 | Confident | 82.5 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 67% | 0.673 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.1 | 174.5 | -56.8 | 84.5 | -170.2 | 0 | 0 | 112.5 | A140 P237 | A140-E239 WeakPolarHBondContact CB-O 3.21Å; P237-E239 WeakPolarHBondContact CB-OE2 3.39Å; P237-E239 PolarHBondContact O-N 3.4Å |
| 240 | Y | 82.6 | Confident | 81.6 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -43.8 | 178.4 | -59.8 | -64.7 | 0 | 0 | 0 | 112.7 | E19 A139 A140 P237 K238 | E19-Y240 HydrophobicContact CG-CD1 3.9Å; E19-Y240 HydrophobicContact CG-CE1 3.95Å; E19-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E19-Y240 PolarHBondContact OE1-OH 3.47Å; A139-Y240 WeakPolarHBondContact CA-O 3.23Å; A140-Y240 PolarHBondContact N-O 3.46Å; P237-Y240 HydrophobicContact CB-CD2 3.77Å; P237-Y240 HydrophobicContact CB-CE2 4.18Å; P237-Y240 HydrophobicContact CG-CD2 3.84Å; P237-Y240 HydrophobicContact CG-CE2 4.03Å; P237-Y240 PolarHBondContact O-N 2.95Å; K238-Y240 PolarHBondContact O-N 2.91Å |
| 241 | M | 83.8 | Confident | 80.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.069 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -131.1 | 104.1 | -179.9 | -67.9 | -167.7 | -176.9 | 0 | 0 | 111.3 | F135 F141 F233 C236 P237 N243 F248 | F135-M241 HydrophobicContact CE2-CE 4.09Å; F135-M241 HydrophobicContact CZ-CE 4.28Å; F141-M241 HydrophobicContact CE1-CE 3.93Å; F141-M241 HydrophobicContact CE1-CG 4.2Å; F141-M241 HydrophobicContact CZ-CE 3.84Å; F233-M241 HydrophobicContact CB-SD 4.21Å; F233-M241 HydrophobicContact CD1-CE 3.93Å; F233-M241 HydrophobicContact CD1-SD 3.8Å; F233-M241 HydrophobicContact CE1-CE 4.21Å; F233-M241 HydrophobicContact CG-SD 4.3Å; C236-M241 HydrophobicContact CB-CB 4.48Å; C236-M241 HydrophobicContact CB-SD 4.41Å; P237-M241 PolarHBondContact O-N 2.88Å; P237-M241 VanDerWaalsContact O-N 3.13Å; M241-N243 PolarHBondContact O-N 3.28Å; M241-N243 VanDerWaalsContact O-N 3.14Å; M241-N243 PolarHBondContact O-ND2 2.64Å; M241-F248 HydrophobicContact CE-CD2 4.35Å; M241-F248 HydrophobicContact CE-CE2 4.27Å; M241-F248 HydrophobicContact SD-CD2 3.91Å; M241-F248 HydrophobicContact SD-CE2 4.41Å |
| 242 | D | 83.5 | Confident | 79.3 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | trans | -83.8 | 90.8 | 179.1 | -169.1 | -7.9 | 0 | 0 | 0 | 111.4 | M138 K238 D244 K245 | M138-D242 PolarHBondContact O-N 3.03Å; K238-D242 WeakPolarHBondContact CE-OD1 3.27Å; K238-D242 IonicContact NZ-OD1 3.42Å; D242-D244 PolarHBondContact O-N 2.97Å; D242-D244 VanDerWaalsContact O-N 3.17Å; D242-D244 WeakPolarHBondContact OD1-CB 3.11Å; D242-D244 PolarHBondContact OD1-N 2.93Å; D242-K245 HydrophobicContact CB-CD 4.26Å; D242-K245 HydrophobicContact CB-CG 4.3Å; D242-K245 PolarHBondContact O-N 3.06Å | ||
| 243 | N | 77.1 | Confident | 78 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.4 | 179.5 | -78.6 | -81.7 | 0 | 0 | 0 | 114.1 | M241 S246 H247 | M241-N243 PolarHBondContact O-N 3.28Å; M241-N243 VanDerWaalsContact O-N 3.14Å; M241-N243 PolarHBondContact O-ND2 2.64Å; N243-S246 WeakPolarHBondContact CA-O 3.17Å; N243-H247 PolarHBondContact O-ND1 3.14Å |
| 244 | D | 78.8 | Confident | 77 | Confident | 129 Ų | 129 | 71 Ų | 71 | 69% | 0.69 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -26.6 | 175.4 | -64.2 | -24.4 | 0 | 0 | 0 | 111.6 | K238 D242 | K238-D244 WeakPolarHBondContact CE-OD2 3.38Å; K238-D244 IonicContact NZ-OD2 3.85Å; K238-D244 PolarHBondContact NZ-OD2 3.44Å; D242-D244 PolarHBondContact O-N 2.97Å; D242-D244 VanDerWaalsContact O-N 3.17Å; D242-D244 WeakPolarHBondContact OD1-CB 3.11Å; D242-D244 PolarHBondContact OD1-N 2.93Å |
| 245 | K | 76 | Confident | 76.7 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -44.7 | 173.8 | -67.9 | -177.4 | -176.7 | 178.7 | 0 | 111.6 | Q137 D242 | Q137-K245 WeakPolarHBondContact O-CD 3.09Å; D242-K245 HydrophobicContact CB-CD 4.26Å; D242-K245 HydrophobicContact CB-CG 4.3Å; D242-K245 PolarHBondContact O-N 3.06Å |
| 246 | S | 75.5 | Confident | 76.7 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -162.9 | 142 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | M138 N243 | M138-S246 VanDerWaalsContact CE-CB 3.5Å; M138-S246 WeakPolarHBondContact CE-O 3.44Å; M138-S246 VanDerWaalsContact CE-OG 3.23Å; M138-S246 WeakPolarHBondContact CE-OG 3.19Å; N243-S246 WeakPolarHBondContact CA-O 3.17Å | ||
| 247 | H | 74.3 | Confident | 77.1 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | trans | -78.4 | 137.1 | 176.2 | -62.1 | -52.9 | 0 | 0 | 0 | 111 | M138 N243 L249 R250 | M138-H247 WeakPolarHBondContact CE-O 3.48Å; N243-H247 PolarHBondContact O-ND1 3.14Å; H247-L249 VanDerWaalsContact C-N 3.33Å; H247-L249 PolarHBondContact O-N 3.44Å; H247-R250 WeakPolarHBondContact O-CA 3.44Å; H247-R250 WeakPolarHBondContact O-CB 3.4Å; H247-R250 PolarHBondContact O-N 3.39Å | ||
| 248 | F | 73.7 | Confident | 77.4 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -54.9 | -49.2 | 176.3 | -171.8 | -76.2 | 0 | 0 | 0 | 111.6 | I50 F135 M138 F233 M241 R250 | I50-F248 HydrophobicContact CB-CE1 4.34Å; I50-F248 HydrophobicContact CD1-CE1 4.29Å; I50-F248 HydrophobicContact CD1-CZ 4.06Å; I50-F248 HydrophobicContact CG1-CE1 3.36Å; I50-F248 HydrophobicContact CG1-CZ 3.59Å; F135-F248 HydrophobicContact CD2-CD2 4.35Å; F135-F248 HydrophobicContact CD2-CE2 4.29Å; F135-F248 AromaticContact CE2-CD2 3.95Å; F135-F248 HydrophobicContact CE2-CD2 3.95Å; F135-F248 AromaticContact CE2-CE2 3.69Å; F135-F248 HydrophobicContact CE2-CE2 3.69Å; F135-F248 HydrophobicContact CZ-CE2 4.35Å; M138-F248 HydrophobicContact SD-CB 4.31Å; M138-F248 HydrophobicContact SD-CD2 4.45Å; F233-F248 HydrophobicContact CB-CB 4.44Å; F233-F248 HydrophobicContact CB-CG 4.39Å; F233-F248 AromaticContact CD2-CD1 3.95Å; F233-F248 HydrophobicContact CD2-CD1 3.95Å; F233-F248 HydrophobicContact CD2-CD2 4.32Å; F233-F248 HydrophobicContact CD2-CE1 4.09Å; F233-F248 HydrophobicContact CD2-CE2 4.36Å; F233-F248 HydrophobicContact CD2-CG 4.11Å; F233-F248 HydrophobicContact CD2-CZ 4.26Å; F233-F248 HydrophobicContact CE2-CD1 4.35Å; F233-F248 HydrophobicContact CE2-CE1 4.01Å; F233-F248 HydrophobicContact CE2-CE2 4.36Å; F233-F248 AromaticContact CE2-CZ 3.98Å; F233-F248 HydrophobicContact CE2-CZ 3.98Å; F233-F248 HydrophobicContact CG-CD2 4.22Å; F233-F248 HydrophobicContact CG-CE2 4.46Å; F233-F248 HydrophobicContact CG-CG 4.27Å; F233-F248 HydrophobicContact CZ-CE2 4.43Å; F233-F248 HydrophobicContact CZ-CZ 4.24Å; M241-F248 HydrophobicContact CE-CD2 4.35Å; M241-F248 HydrophobicContact CE-CE2 4.27Å; M241-F248 HydrophobicContact SD-CD2 3.91Å; M241-F248 HydrophobicContact SD-CE2 4.41Å; F248-R250 VanDerWaalsContact C-N 3.32Å; F248-R250 PolarHBondContact O-N 2.89Å; F248-R250 VanDerWaalsContact O-N 3.13Å |
| 249 | L | 73.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -84.8 | 74.5 | 169.2 | -68.1 | 178.5 | 0 | 0 | 0 | 109.9 | F222 M225 K226 N232 H247 | F222-L249 HydrophobicContact CE2-CB 3.78Å; F222-L249 HydrophobicContact CE2-CD2 4.49Å; F222-L249 HydrophobicContact CZ-CB 4.31Å; F222-L249 VanDerWaalsContact CZ-O 3.3Å; F222-L249 WeakPolarHBondContact CZ-O 3.45Å; M225-L249 HydrophobicContact CB-CD1 4.17Å; K226-L249 HydrophobicContact CB-CD1 4.19Å; N232-L249 HydrophobicContact CB-CD1 3.94Å; H247-L249 VanDerWaalsContact C-N 3.33Å; H247-L249 PolarHBondContact O-N 3.44Å |
| 250 | R | 73.8 | Confident | 78.3 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -68.7 | -63.7 | -171.1 | -165.2 | -177.7 | 58.8 | 90.5 | 6.5 | 114 | H247 F248 D257 | H247-R250 WeakPolarHBondContact O-CA 3.44Å; H247-R250 WeakPolarHBondContact O-CB 3.4Å; H247-R250 PolarHBondContact O-N 3.39Å; F248-R250 VanDerWaalsContact C-N 3.32Å; F248-R250 PolarHBondContact O-N 2.89Å; F248-R250 VanDerWaalsContact O-N 3.13Å; R250-D257 IonicContact CZ-OD2 3.88Å; R250-D257 IonicContact NH1-OD2 3.01Å; R250-D257 PolarHBondContact NH1-OD2 3.19Å; R250-D257 IonicContact NH2-OD2 2.79Å; R250-D257 PolarHBondContact NH2-OD2 3.17Å |
| 251 | K | 74.9 | Confident | 78.8 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -136 | 6 | -173.8 | -73.7 | -169.9 | -173.8 | -179.4 | 0 | 115.4 | R253 I254 D257 | K251-R253 PolarHBondContact O-N 3.17Å; K251-I254 HydrophobicContact CB-CD1 4.37Å; K251-I254 HydrophobicContact CD-CD1 4.11Å; K251-I254 PolarHBondContact O-N 2.9Å; K251-D257 IonicContact NZ-OD1 2.76Å; K251-D257 PolarHBondContact NZ-OD1 3.29Å; K251-D257 IonicContact NZ-OD2 3.4Å; K251-D257 PolarHBondContact NZ-OD2 3.24Å |
| 252 | G | 59.4 | Low | 79.4 | Confident | 18 Ų | 18 | 62 Ų | 62 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -22.6 | 5.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 125.1 | Y186 F222 | Y186-G252 VanDerWaalsContact OH-C 3.28Å; Y186-G252 WeakPolarHBondContact OH-CA 3.47Å; Y186-G252 PolarHBondContact OH-O 3.38Å; F222-G252 VanDerWaalsContact CD2-CA 3.43Å; F222-G252 VanDerWaalsContact CE2-CA 3.47Å |
| 253 | R | 57.9 | Low | 79.9 | Confident | 130 Ų | 130 | 64.1 Ų | 64.1 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 7.9 | 168.8 | -72 | -171.8 | 166 | -173.3 | -7.8 | 114.7 | V190 F222 K251 | V190-R253 WeakPolarHBondContact CG1-O 3.45Å; F222-R253 HydrophobicContact CB-CG 3.75Å; F222-R253 HydrophobicContact CG-CG 4.44Å; K251-R253 PolarHBondContact O-N 3.17Å |
| 254 | I | 64.4 | Low | 80.7 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 41% | 0.41 | 34% | 0.339 | S | S | . | . | trans | -103.5 | 102.6 | 177.9 | -57.6 | 174.5 | 0 | 0 | 0 | 108.1 | K251 D257 | K251-I254 HydrophobicContact CB-CD1 4.37Å; K251-I254 HydrophobicContact CD-CD1 4.11Å; K251-I254 PolarHBondContact O-N 2.9Å; I254-D257 HydrophobicContact CG2-CB 4.15Å | ||
| 255 | A | 77.4 | Confident | 81.5 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 134.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | E187 | E187-A255 HydrophobicContact CG-CB 4.11Š|
| 256 | G | 87.3 | Confident | 82.5 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 20 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | D127 W258 K259 | D127-G256 PolarHBondContact OD1-N 2.76Å; D127-G256 WeakPolarHBondContact OD2-CA 3.44Å; D127-G256 PolarHBondContact OD2-N 2.81Å; G256-W258 PolarHBondContact O-N 3.3Å; G256-K259 WeakPolarHBondContact O-CB 3.23Å; G256-K259 WeakPolarHBondContact O-CG 3.47Å; G256-K259 PolarHBondContact O-N 3.28Å; G256-K259 VanDerWaalsContact O-N 3.15Å |
| 257 | D | 91.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -65.1 | -20 | 174.5 | -167.5 | 45.9 | 0 | 0 | 0 | 111.7 | D127 R250 K251 I254 K259 N260 H261 | D127-D257 PolarHBondContact OD1-N 3.27Å; R250-D257 IonicContact CZ-OD2 3.88Å; R250-D257 IonicContact NH1-OD2 3.01Å; R250-D257 PolarHBondContact NH1-OD2 3.19Å; R250-D257 IonicContact NH2-OD2 2.79Å; R250-D257 PolarHBondContact NH2-OD2 3.17Å; K251-D257 IonicContact NZ-OD1 2.76Å; K251-D257 PolarHBondContact NZ-OD1 3.29Å; K251-D257 IonicContact NZ-OD2 3.4Å; K251-D257 PolarHBondContact NZ-OD2 3.24Å; I254-D257 HydrophobicContact CG2-CB 4.15Å; D257-K259 PolarHBondContact O-N 3.01Å; D257-K259 VanDerWaalsContact O-N 3.13Å; D257-N260 WeakPolarHBondContact O-CB 3.4Å; D257-N260 PolarHBondContact O-N 3.36Å; D257-N260 PolarHBondContact OD1-ND2 3.13Å; D257-H261 PolarHBondContact O-CE1 3.15Å; D257-H261 PolarHBondContact O-ND1 3Å; D257-H261 IonicContact OD1-CE1 3.21Å; D257-H261 IonicContact OD2-CE1 2.64Å; D257-H261 PolarHBondContact OD2-CE1 3.12Å; D257-H261 VanDerWaalsContact OD2-CE1 3.24Å; D257-H261 IonicContact OD2-ND1 2.69Å |
| 258 | W | 93.1 | Very high | 84.6 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -50.8 | -31.7 | 169.4 | 70.2 | -99.8 | 0 | 0 | 0 | 113.9 | K126 D127 V130 G256 N260 H261 F262 L267 | K126-W258 HydrophobicContact CB-CB 3.61Å; K126-W258 HydrophobicContact CB-CD2 3.88Å; K126-W258 HydrophobicContact CB-CE3 4.47Å; K126-W258 HydrophobicContact CB-CG 3.46Å; K126-W258 VanDerWaalsContact CB-CG 3.46Å; K126-W258 HydrophobicContact CD-CD2 3.84Å; K126-W258 HydrophobicContact CD-CE3 3.86Å; K126-W258 HydrophobicContact CD-CG 4.39Å; K126-W258 HydrophobicContact CD-CH2 4.28Å; K126-W258 HydrophobicContact CD-CZ2 4.25Å; K126-W258 HydrophobicContact CD-CZ3 4.09Å; K126-W258 VanDerWaalsContact CE-CZ2 3.5Å; K126-W258 HydrophobicContact CG-CD2 4.45Å; K126-W258 HydrophobicContact CG-CG 4.5Å; D127-W258 PolarHBondContact OD1-N 3.28Å; V130-W258 HydrophobicContact CG2-CB 4.25Å; G256-W258 PolarHBondContact O-N 3.3Å; W258-N260 PolarHBondContact O-N 3.35Å; W258-N260 VanDerWaalsContact O-N 3.12Å; W258-H261 PolarHBondContact O-N 3.23Å; W258-F262 HydrophobicContact CB-CD2 3.84Å; W258-F262 HydrophobicContact CB-CE2 3.84Å; W258-F262 HydrophobicContact CE3-CB 4.21Å; W258-F262 HydrophobicContact CE3-CD2 4.34Å; W258-F262 HydrophobicContact CE3-CG 4.2Å; W258-F262 VanDerWaalsContact O-CD2 3.3Å; W258-F262 WeakPolarHBondContact O-CD2 3.2Å; W258-F262 PolarHBondContact O-N 2.9Å; W258-L267 HydrophobicContact CH2-CD1 4.29Å; W258-L267 HydrophobicContact CZ3-CD1 3.84Å; W258-L267 HydrophobicContact CZ3-CD2 4.2Å |
| 259 | K | 93.3 | Very high | 85.7 | Confident | 145 Ų | 145 | 63.9 Ų | 63.9 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -61.7 | -22 | 177.8 | -64.4 | -179.8 | 179.2 | -179.1 | 0 | 113.6 | G256 D257 | G256-K259 WeakPolarHBondContact O-CB 3.23Å; G256-K259 WeakPolarHBondContact O-CG 3.47Å; G256-K259 PolarHBondContact O-N 3.28Å; G256-K259 VanDerWaalsContact O-N 3.15Å; D257-K259 PolarHBondContact O-N 3.01Å; D257-K259 VanDerWaalsContact O-N 3.13Å |
| 260 | N | 93.2 | Very high | 86.8 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -89 | -5.3 | 177.6 | -58.5 | -45.9 | 0 | 0 | 0 | 113.3 | D257 W258 | D257-N260 WeakPolarHBondContact O-CB 3.4Å; D257-N260 PolarHBondContact O-N 3.36Å; D257-N260 PolarHBondContact OD1-ND2 3.13Å; W258-N260 PolarHBondContact O-N 3.35Å; W258-N260 VanDerWaalsContact O-N 3.12Å |
| 261 | H | 93.2 | Very high | 87.9 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -30.6 | -171.6 | -58.1 | 78.9 | 0 | 0 | 0 | 112.6 | V130 Y134 F148 D257 W258 | V130-H261 HydrophobicContact CG2-CB 3.8Å; Y134-H261 AromaticContact CE2-CD2 3.88Å; Y134-H261 AromaticContact CE2-NE2 3.42Å; Y134-H261 WeakPolarHBondContact CE2-NE2 3.46Å; Y134-H261 AromaticContact CZ-NE2 3.75Å; Y134-H261 PolarHBondContact OH-NE2 3.38Å; F148-H261 HydrophobicContact CE2-CB 4.43Å; F148-H261 HydrophobicContact CZ-CB 4.23Å; D257-H261 PolarHBondContact O-CE1 3.15Å; D257-H261 PolarHBondContact O-ND1 3Å; D257-H261 IonicContact OD1-CE1 3.21Å; D257-H261 IonicContact OD2-CE1 2.64Å; D257-H261 PolarHBondContact OD2-CE1 3.12Å; D257-H261 VanDerWaalsContact OD2-CE1 3.24Å; D257-H261 IonicContact OD2-ND1 2.69Å; W258-H261 PolarHBondContact O-N 3.23Å |
| 262 | F | 95.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 10% | 0.101 | 34% | 0.341 | C | S | . | . | trans | -81.6 | 129.7 | 178 | -79.2 | -116.9 | 0 | 0 | 0 | 110.3 | K126 L129 V130 F148 M152 W258 H266 L267 F270 | K126-F262 HydrophobicContact CB-CE2 4.19Å; K126-F262 HydrophobicContact CB-CZ 3.99Å; K126-F262 HydrophobicContact CG-CE1 4.36Å; K126-F262 HydrophobicContact CG-CZ 4.14Å; L129-F262 HydrophobicContact CD2-CE2 4.13Å; L129-F262 HydrophobicContact CD2-CZ 3.64Å; V130-F262 HydrophobicContact CG2-CD2 4.45Å; V130-F262 HydrophobicContact CG2-CE2 4.06Å; F148-F262 HydrophobicContact CE1-CD2 4.17Å; F148-F262 HydrophobicContact CE1-CE2 4.17Å; F148-F262 AromaticContact CZ-CD2 3.97Å; F148-F262 HydrophobicContact CZ-CD2 3.97Å; F148-F262 AromaticContact CZ-CE2 3.68Å; F148-F262 HydrophobicContact CZ-CE2 3.68Å; F148-F262 HydrophobicContact CZ-CZ 4.32Å; M152-F262 HydrophobicContact SD-CE1 4.47Å; W258-F262 HydrophobicContact CB-CD2 3.84Å; W258-F262 HydrophobicContact CB-CE2 3.84Å; W258-F262 HydrophobicContact CE3-CB 4.21Å; W258-F262 HydrophobicContact CE3-CD2 4.34Å; W258-F262 HydrophobicContact CE3-CG 4.2Å; W258-F262 VanDerWaalsContact O-CD2 3.3Å; W258-F262 WeakPolarHBondContact O-CD2 3.2Å; W258-F262 PolarHBondContact O-N 2.9Å; F262-H266 HydrophobicContact CB-CB 4.48Å; F262-H266 HydrophobicContact CD1-CB 3.84Å; F262-H266 HydrophobicContact CE1-CB 4.49Å; F262-H266 HydrophobicContact CG-CB 4.37Å; F262-L267 HydrophobicContact CD1-CB 4.28Å; F262-F270 HydrophobicContact CE1-CB 3.89Å; F262-F270 AromaticContact CE1-CD2 3.96Å; F262-F270 HydrophobicContact CE1-CD2 3.96Å; F262-F270 AromaticContact CE1-CG 3.9Å; F262-F270 HydrophobicContact CE1-CG 3.9Å; F262-F270 HydrophobicContact CZ-CD2 4.05Å; F262-F270 HydrophobicContact CZ-CE2 4.36Å; F262-F270 HydrophobicContact CZ-CG 4.35Å | ||
| 263 | N | 94.7 | Very high | 90.7 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | trans | -86.8 | 176.1 | 158.6 | 67.4 | 32.4 | 0 | 0 | 0 | 109.4 | D265 H266 L267 | N263-D265 VanDerWaalsContact C-N 3.3Å; N263-D265 PolarHBondContact O-N 3.44Å; N263-D265 PolarHBondContact OD1-N 3.39Å; N263-D265 VanDerWaalsContact OD1-N 3.08Å; N263-H266 PolarHBondContact ND2-CE1 2.84Å; N263-H266 PolarHBondContact ND2-NE2 2.8Å; N263-H266 PolarHBondContact O-N 3.12Å; N263-H266 WeakPolarHBondContact OD1-CB 3.34Å; N263-H266 PolarHBondContact OD1-CD2 3.23Å; N263-H266 PolarHBondContact OD1-N 3.07Å; N263-L267 PolarHBondContact O-N 3.36Å | ||
| 264 | S | 94.9 | Very high | 92.6 | Very high | 98 Ų | 98 | 57.6 Ų | 57.6 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.2 | -38.2 | -177.9 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | L267 A268 | S264-L267 PolarHBondContact O-N 3.32Å; S264-A268 WeakPolarHBondContact O-CB 3.43Å; S264-A268 PolarHBondContact O-N 2.69Å |
| 265 | D | 95.6 | Very high | 94.1 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72.1 | -43.4 | -177.6 | -63.7 | -23.4 | 0 | 0 | 0 | 111.2 | N263 L267 A268 R269 | N263-D265 VanDerWaalsContact C-N 3.3Å; N263-D265 PolarHBondContact O-N 3.44Å; N263-D265 PolarHBondContact OD1-N 3.39Å; N263-D265 VanDerWaalsContact OD1-N 3.08Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 2.61Å; D265-A268 PolarHBondContact O-N 2.93Å; D265-R269 VanDerWaalsContact O-CB 3.31Å; D265-R269 WeakPolarHBondContact O-CB 3.26Å; D265-R269 PolarHBondContact O-N 3.47Å |
| 266 | H | 96.2 | Very high | 95 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 172.2 | -62.9 | 166.5 | 0 | 0 | 0 | 110.8 | F148 E149 M152 F262 N263 R269 F270 | F148-H266 AromaticContact CD1-CE1 3.96Å; F148-H266 AromaticContact CD1-ND1 3.81Å; F148-H266 AromaticContact CE1-ND1 3.95Å; E149-H266 IonicContact OE2-NE2 3.98Å; M152-H266 HydrophobicContact CE-CB 4.23Å; M152-H266 HydrophobicContact SD-CB 3.94Å; F262-H266 HydrophobicContact CB-CB 4.48Å; F262-H266 HydrophobicContact CD1-CB 3.84Å; F262-H266 HydrophobicContact CE1-CB 4.49Å; F262-H266 HydrophobicContact CG-CB 4.37Å; N263-H266 PolarHBondContact ND2-CE1 2.84Å; N263-H266 PolarHBondContact ND2-NE2 2.8Å; N263-H266 PolarHBondContact O-N 3.12Å; N263-H266 WeakPolarHBondContact OD1-CB 3.34Å; N263-H266 PolarHBondContact OD1-CD2 3.23Å; N263-H266 PolarHBondContact OD1-N 3.07Å; H266-R269 PolarHBondContact O-N 2.89Å; H266-F270 WeakPolarHBondContact O-CB 3.3Å; H266-F270 PolarHBondContact O-N 3.45Å |
| 267 | L | 96.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 64.4 Ų | 64.4 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | -179.6 | -179.6 | 60.7 | 0 | 0 | 0 | 111.5 | K126 W258 F262 N263 S264 D265 K271 | K126-L267 HydrophobicContact CD-CD1 3.77Å; W258-L267 HydrophobicContact CH2-CD1 4.29Å; W258-L267 HydrophobicContact CZ3-CD1 3.84Å; W258-L267 HydrophobicContact CZ3-CD2 4.2Å; F262-L267 HydrophobicContact CD1-CB 4.28Å; N263-L267 PolarHBondContact O-N 3.36Å; S264-L267 PolarHBondContact O-N 3.32Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 2.61Å; L267-K271 WeakPolarHBondContact O-CB 3.29Å; L267-K271 PolarHBondContact O-N 3.24Å |
| 268 | A | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S264 D265 S272 | S264-A268 WeakPolarHBondContact O-CB 3.43Å; S264-A268 PolarHBondContact O-N 2.69Å; D265-A268 PolarHBondContact O-N 2.93Å; A268-S272 WeakPolarHBondContact O-CB 3.46Å; A268-S272 PolarHBondContact O-N 2.79Å |
| 269 | R | 97.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 71.9 Ų | 71.9 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -52.7 | 176.8 | 174.5 | 57 | 175.9 | 169.5 | 1.6 | 111.5 | M152 E153 L156 D265 H266 K271 S272 V273 | M152-R269 HydrophobicContact CE-CB 4.42Å; M152-R269 HydrophobicContact CE-CG 4.06Å; E153-R269 WeakPolarHBondContact OE1-CG 3.39Å; E153-R269 IonicContact OE1-CZ 3.45Å; E153-R269 IonicContact OE1-NE 3.17Å; E153-R269 PolarHBondContact OE1-NE 3.42Å; E153-R269 IonicContact OE1-NH2 2.7Å; E153-R269 IonicContact OE2-CZ 3.16Å; E153-R269 IonicContact OE2-NE 2.97Å; E153-R269 PolarHBondContact OE2-NE 3.07Å; E153-R269 IonicContact OE2-NH2 3.33Å; E153-R269 PolarHBondContact OE2-NH2 2.81Å; L156-R269 HydrophobicContact CD1-CG 4.42Å; D265-R269 VanDerWaalsContact O-CB 3.31Å; D265-R269 WeakPolarHBondContact O-CB 3.26Å; D265-R269 PolarHBondContact O-N 3.47Å; H266-R269 PolarHBondContact O-N 2.89Å; R269-K271 PolarHBondContact O-N 2.96Å; R269-S272 PolarHBondContact O-N 3.39Å; R269-V273 PolarHBondContact O-N 3.47Å; R269-V273 VanDerWaalsContact O-N 3.08Å |
| 270 | F | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | -179.4 | -170 | -81.5 | 0 | 0 | 0 | 111.5 | P125 K126 L129 M152 F155 L156 F262 H266 S272 V273 I274 | P125-F270 HydrophobicContact CB-CE1 4.31Å; P125-F270 HydrophobicContact CB-CZ 3.87Å; P125-F270 HydrophobicContact CG-CE1 4.03Å; P125-F270 HydrophobicContact CG-CZ 4.12Å; K126-F270 HydrophobicContact CD-CD1 4.37Å; K126-F270 HydrophobicContact CD-CE1 4.47Å; K126-F270 HydrophobicContact CG-CD1 3.78Å; K126-F270 HydrophobicContact CG-CE1 3.49Å; K126-F270 VanDerWaalsContact CG-CE1 3.49Å; K126-F270 HydrophobicContact CG-CZ 4.06Å; L129-F270 HydrophobicContact CB-CE2 4.44Å; L129-F270 HydrophobicContact CD2-CD2 4.2Å; L129-F270 HydrophobicContact CD2-CE2 4.06Å; M152-F270 HydrophobicContact CG-CD2 4.32Å; M152-F270 HydrophobicContact SD-CB 4.42Å; M152-F270 HydrophobicContact SD-CD2 4.42Å; F155-F270 HydrophobicContact CD1-CE2 4.16Å; F155-F270 HydrophobicContact CE1-CE2 4.01Å; F155-F270 HydrophobicContact CE1-CZ 4.21Å; L156-F270 HydrophobicContact CD1-CD2 4.41Å; L156-F270 HydrophobicContact CD2-CD2 3.82Å; L156-F270 HydrophobicContact CD2-CE2 3.95Å; L156-F270 HydrophobicContact CD2-CG 4.39Å; L156-F270 HydrophobicContact CG-CD2 4.36Å; F262-F270 HydrophobicContact CE1-CB 3.89Å; F262-F270 AromaticContact CE1-CD2 3.96Å; F262-F270 HydrophobicContact CE1-CD2 3.96Å; F262-F270 AromaticContact CE1-CG 3.9Å; F262-F270 HydrophobicContact CE1-CG 3.9Å; F262-F270 HydrophobicContact CZ-CD2 4.05Å; F262-F270 HydrophobicContact CZ-CE2 4.36Å; F262-F270 HydrophobicContact CZ-CG 4.35Å; H266-F270 WeakPolarHBondContact O-CB 3.3Å; H266-F270 PolarHBondContact O-N 3.45Å; F270-S272 PolarHBondContact O-N 3.3Å; F270-V273 PolarHBondContact O-N 2.91Å; F270-I274 HydrophobicContact CD1-CG1 3.81Å; F270-I274 HydrophobicContact CE1-CD1 4.32Å; F270-I274 HydrophobicContact CE1-CG1 3.52Å; F270-I274 HydrophobicContact CZ-CD1 4.34Å; F270-I274 HydrophobicContact CZ-CG1 4Å; F270-I274 WeakPolarHBondContact O-CG1 3.3Å; F270-I274 PolarHBondContact O-N 3.18Å |
| 271 | K | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 176.5 | 176.1 | 178 | 170.7 | 178.8 | 0 | 111.3 | L267 R269 V273 I274 T275 L289 D290 | L267-K271 WeakPolarHBondContact O-CB 3.29Å; L267-K271 PolarHBondContact O-N 3.24Å; R269-K271 PolarHBondContact O-N 2.96Å; K271-V273 VanDerWaalsContact C-N 3.33Å; K271-V273 PolarHBondContact O-N 2.77Å; K271-I274 PolarHBondContact O-N 2.8Å; K271-T275 VanDerWaalsContact O-CB 3.29Å; K271-T275 WeakPolarHBondContact O-CB 3.31Å; K271-T275 PolarHBondContact O-N 3.33Å; K271-T275 PolarHBondContact O-OG1 3.21Å; K271-L289 HydrophobicContact CG-CB 4.22Å; K271-D290 IonicContact NZ-OD1 3.54Å; K271-D290 PolarHBondContact NZ-OD1 2.89Å |
| 272 | S | 96.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 72.7 Ų | 72.7 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | -179.6 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | A268 R269 F270 K276 | A268-S272 WeakPolarHBondContact O-CB 3.46Å; A268-S272 PolarHBondContact O-N 2.79Å; R269-S272 PolarHBondContact O-N 3.39Å; F270-S272 PolarHBondContact O-N 3.3Å; S272-K276 WeakPolarHBondContact O-CB 3.49Å; S272-K276 PolarHBondContact O-N 3.39Å |
| 273 | V | 97.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 14% | 0.139 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.4 | -49.7 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | L156 R269 F270 K271 T275 K276 E277 | L156-V273 HydrophobicContact CB-CG1 4.21Å; L156-V273 HydrophobicContact CD1-CB 4.3Å; L156-V273 HydrophobicContact CD1-CG2 4.2Å; L156-V273 HydrophobicContact CD2-CB 4.1Å; L156-V273 HydrophobicContact CD2-CG1 3.96Å; L156-V273 HydrophobicContact CG-CG1 4.47Å; R269-V273 PolarHBondContact O-N 3.47Å; R269-V273 VanDerWaalsContact O-N 3.08Å; F270-V273 PolarHBondContact O-N 2.91Å; K271-V273 VanDerWaalsContact C-N 3.33Å; K271-V273 PolarHBondContact O-N 2.77Å; V273-T275 PolarHBondContact O-N 2.59Å; V273-K276 PolarHBondContact O-N 3.28Å; V273-E277 HydrophobicContact CG1-CG 4.17Å; V273-E277 WeakPolarHBondContact O-CB 3.46Å; V273-E277 WeakPolarHBondContact O-CG 3.42Å; V273-E277 PolarHBondContact O-N 3.26Å |
| 274 | I | 96.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | -177.6 | -63.6 | -61 | 0 | 0 | 0 | 111.7 | L156 W165 T166 F270 K271 K276 E277 L278 L289 | L156-I274 HydrophobicContact CD2-CD1 4Å; L156-I274 HydrophobicContact CD2-CG1 4.24Å; W165-I274 HydrophobicContact CE3-CD1 4.27Å; W165-I274 HydrophobicContact CZ3-CG2 4.12Å; T166-I274 HydrophobicContact CG2-CD1 3.9Å; F270-I274 HydrophobicContact CD1-CG1 3.81Å; F270-I274 HydrophobicContact CE1-CD1 4.32Å; F270-I274 HydrophobicContact CE1-CG1 3.52Å; F270-I274 HydrophobicContact CZ-CD1 4.34Å; F270-I274 HydrophobicContact CZ-CG1 4Å; F270-I274 WeakPolarHBondContact O-CG1 3.3Å; F270-I274 PolarHBondContact O-N 3.18Å; K271-I274 PolarHBondContact O-N 2.8Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.94Å; I274-E277 PolarHBondContact O-N 3.45Å; I274-L278 HydrophobicContact CG2-CD1 3.89Å; I274-L278 HydrophobicContact CG2-CG 4.45Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.24Å; I274-L278 VanDerWaalsContact O-N 3.14Å; I274-L289 HydrophobicContact CB-CD1 4.42Å; I274-L289 HydrophobicContact CG2-CD1 3.9Å; I274-L289 HydrophobicContact CG2-CD2 4.08Å |
| 275 | T | 95.3 | Very high | 94.1 | Very high | 75 Ų | 75 | 71.7 Ų | 71.7 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | K271 V273 L278 E279 | K271-T275 VanDerWaalsContact O-CB 3.29Å; K271-T275 WeakPolarHBondContact O-CB 3.31Å; K271-T275 PolarHBondContact O-N 3.33Å; K271-T275 PolarHBondContact O-OG1 3.21Å; V273-T275 PolarHBondContact O-N 2.59Å; T275-L278 PolarHBondContact O-N 2.79Å; T275-E279 PolarHBondContact O-N 2.93Å; T275-E279 VanDerWaalsContact O-N 3.15Å |
| 276 | K | 96.3 | Very high | 93.8 | Very high | 154 Ų | 154 | 69.4 Ų | 69.4 | 67% | 0.67 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 178.1 | -174.7 | -179.2 | 179.2 | -176.2 | 0 | 112.2 | S272 V273 I274 L278 E279 | S272-K276 WeakPolarHBondContact O-CB 3.49Å; S272-K276 PolarHBondContact O-N 3.39Å; V273-K276 PolarHBondContact O-N 3.28Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.94Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 2.98Å; K276-E279 VanDerWaalsContact O-CB 3.29Å; K276-E279 WeakPolarHBondContact O-CB 3.35Å; K276-E279 PolarHBondContact O-N 3.4Å |
| 277 | E | 96.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.8 | -19.5 | -178.9 | -74.3 | -77.2 | 171.2 | 0 | 0 | 114.1 | K164 T166 K170 V273 I274 | K164-E277 IonicContact NZ-OE1 2.75Å; K164-E277 PolarHBondContact NZ-OE1 2.91Å; K164-E277 IonicContact NZ-OE2 2.83Å; T166-E277 HydrophobicContact CG2-CB 3.75Å; K170-E277 PolarHBondContact NZ-O 3.31Å; V273-E277 HydrophobicContact CG1-CG 4.17Å; V273-E277 WeakPolarHBondContact O-CB 3.46Å; V273-E277 WeakPolarHBondContact O-CG 3.42Å; V273-E277 PolarHBondContact O-N 3.26Å; I274-E277 PolarHBondContact O-N 3.45Å |
| 278 | L | 94.9 | Very high | 93 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 6.2 | 175.6 | -62.5 | 179.9 | 0 | 0 | 0 | 112.6 | W165 T166 K170 I274 T275 K276 G280 E281 F283 L285 | W165-L278 HydrophobicContact CZ3-CD1 4.17Å; T166-L278 HydrophobicContact CG2-CD2 3.87Å; T166-L278 HydrophobicContact CG2-CG 3.99Å; K170-L278 HydrophobicContact CD-CD2 4.5Å; K170-L278 HydrophobicContact CG-CD2 4.34Å; I274-L278 HydrophobicContact CG2-CD1 3.89Å; I274-L278 HydrophobicContact CG2-CG 4.45Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.24Å; I274-L278 VanDerWaalsContact O-N 3.14Å; T275-L278 PolarHBondContact O-N 2.79Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 2.98Å; L278-G280 PolarHBondContact O-N 3Å; L278-E281 HydrophobicContact CD2-CG 4.46Å; L278-E281 WeakPolarHBondContact O-CB 3.44Å; L278-E281 PolarHBondContact O-N 3.13Å; L278-F283 HydrophobicContact CD2-CZ 3.9Å; L278-L285 HydrophobicContact CD1-CD1 3.82Å; L278-L285 HydrophobicContact CD1-CD2 4.14Å; L278-L285 HydrophobicContact CD1-CG 4.17Å |
| 279 | E | 93.9 | Very high | 92.3 | Very high | 156 Ų | 156 | 69.7 Ų | 69.7 | 73% | 0.729 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 128.8 | 178.4 | -171.7 | 171.2 | -156.8 | 0 | 0 | 110.3 | T275 K276 E281 | T275-E279 PolarHBondContact O-N 2.93Å; T275-E279 VanDerWaalsContact O-N 3.15Å; K276-E279 VanDerWaalsContact O-CB 3.29Å; K276-E279 WeakPolarHBondContact O-CB 3.35Å; K276-E279 PolarHBondContact O-N 3.4Å; E279-E281 VanDerWaalsContact C-N 3.34Å |
| 280 | G | 91.3 | Very high | 91.1 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 74% | 0.742 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -2.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L278 | L278-G280 PolarHBondContact O-N 3Š|
| 281 | E | 92.4 | Very high | 90.8 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | -76.5 | 140.9 | 174.5 | -65.5 | -61.3 | 150.9 | 0 | 0 | 112.1 | K170 L278 E279 F283 | K170-E281 HydrophobicContact CD-CG 3.99Å; K170-E281 WeakPolarHBondContact CD-OE1 3.45Å; K170-E281 HydrophobicContact CG-CG 4.08Å; L278-E281 HydrophobicContact CD2-CG 4.46Å; L278-E281 WeakPolarHBondContact O-CB 3.44Å; L278-E281 PolarHBondContact O-N 3.13Å; E279-E281 VanDerWaalsContact C-N 3.34Å; E281-F283 VanDerWaalsContact C-N 3.3Å; E281-F283 HydrophobicContact CB-CD1 3.91Å; E281-F283 HydrophobicContact CB-CE1 3.65Å; E281-F283 HydrophobicContact CB-CZ 4.33Å; E281-F283 HydrophobicContact CG-CE1 3.88Å; E281-F283 HydrophobicContact CG-CZ 4.44Å; E281-F283 PolarHBondContact O-N 2.76Å | ||
| 282 | N | 86.2 | Confident | 90.5 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 93% | 0.93 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -89.3 | 15.6 | -175.6 | -71 | -29.5 | 0 | 0 | 0 | 114.1 | ||
| 283 | F | 86.1 | Confident | 90.2 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | trans | -121.4 | 147.4 | 177.6 | 67.8 | -90.5 | 0 | 0 | 0 | 111.4 | V169 K170 R173 L278 E281 L285 | V169-F283 HydrophobicContact CG1-CE2 3.73Å; V169-F283 HydrophobicContact CG1-CZ 3.67Å; K170-F283 HydrophobicContact CG-CE1 4.29Å; K170-F283 HydrophobicContact CG-CZ 4.4Å; R173-F283 HydrophobicContact CG-CD1 3.76Å; R173-F283 HydrophobicContact CG-CE1 3.88Å; R173-F283 HydrophobicContact CG-CG 4.27Å; R173-F283 HydrophobicContact CG-CZ 4.49Å; L278-F283 HydrophobicContact CD2-CZ 3.9Å; E281-F283 VanDerWaalsContact C-N 3.3Å; E281-F283 HydrophobicContact CB-CD1 3.91Å; E281-F283 HydrophobicContact CB-CE1 3.65Å; E281-F283 HydrophobicContact CB-CZ 4.33Å; E281-F283 HydrophobicContact CG-CE1 3.88Å; E281-F283 HydrophobicContact CG-CZ 4.44Å; E281-F283 PolarHBondContact O-N 2.76Å; F283-L285 HydrophobicContact CE2-CD2 4.04Å | ||
| 284 | S | 85.9 | Confident | 89.7 | Confident | 101 Ų | 101 | 76.4 Ų | 76.4 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | trans | -95 | 151.3 | 172.6 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | L | 90.7 | Very high | 89.3 | Confident | 32 Ų | 32 | 80.8 Ų | 80.8 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | trans | -79.6 | 142.1 | 167.6 | -60.4 | -179.1 | 0 | 0 | 0 | 109.5 | W165 L278 F283 W287 L289 | W165-L285 HydrophobicContact CH2-CD1 4.25Å; W165-L285 HydrophobicContact CH2-CD2 3.77Å; L278-L285 HydrophobicContact CD1-CD1 3.82Å; L278-L285 HydrophobicContact CD1-CD2 4.14Å; L278-L285 HydrophobicContact CD1-CG 4.17Å; F283-L285 HydrophobicContact CE2-CD2 4.04Å; L285-W287 HydrophobicContact CD2-CZ2 4.32Å; L285-W287 PolarHBondContact O-N 3.08Å; L285-L289 HydrophobicContact CD1-CD1 4.16Å; L285-L289 HydrophobicContact CD1-CD2 3.82Å; L285-L289 HydrophobicContact CD1-CG 4.06Å | ||
| 286 | P | 89.3 | Confident | 88.9 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -78.3 | 0.6 | -179.1 | 29 | -29.7 | 0 | 0 | 0 | 112.8 | M122 T185 | M122-P286 HydrophobicContact CE-CG 3.51Å; T185-P286 HydrophobicContact CG2-CB 4.13Å; T185-P286 HydrophobicContact CG2-CG 3.52Å |
| 287 | W | 89.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 76 Ų | 76 | 13% | 0.125 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -128.2 | 158.8 | 175.7 | 48.7 | 73.4 | 0 | 0 | 0 | 110.4 | M122 R123 N124 P125 W165 T185 E187 L285 | M122-W287 HydrophobicContact CB-CH2 4.19Å; M122-W287 HydrophobicContact CE-CH2 3.62Å; M122-W287 HydrophobicContact CE-CZ2 4.2Å; M122-W287 HydrophobicContact CE-CZ3 4.15Å; M122-W287 HydrophobicContact CG-CH2 3.74Å; M122-W287 HydrophobicContact CG-CZ2 4.46Å; M122-W287 HydrophobicContact SD-CH2 4.06Å; M122-W287 HydrophobicContact SD-CZ2 4.42Å; R123-W287 WeakPolarHBondContact O-CH2 3.48Å; R123-W287 WeakPolarHBondContact O-CZ2 3.4Å; N124-W287 HydrophobicContact CB-CD2 3.85Å; N124-W287 HydrophobicContact CB-CE3 4.02Å; N124-W287 HydrophobicContact CB-CG 4.23Å; N124-W287 HydrophobicContact CB-CZ3 4.43Å; P125-W287 VanDerWaalsContact CD-CZ2 3.5Å; W165-W287 HydrophobicContact CH2-CZ2 4.29Å; W165-W287 AromaticContact CZ2-CZ2 3.91Å; W165-W287 HydrophobicContact CZ2-CZ2 3.91Å; T185-W287 HydrophobicContact CG2-CZ3 4.38Å; E187-W287 WeakPolarHBondContact OE2-CZ3 3.39Å; L285-W287 HydrophobicContact CD2-CZ2 4.32Å; L285-W287 PolarHBondContact O-N 3.08Å |
| 288 | S | 86.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | trans | -72.8 | 144.2 | 167.1 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | D290 | S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 VanDerWaalsContact OG-CB 3.27Å; S288-D290 WeakPolarHBondContact OG-CB 3.44Å; S288-D290 PolarHBondContact OG-N 3.37Å; S288-D290 PolarHBondContact OG-OD2 2.98Å | ||
| 289 | L | 83.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 81.9 Ų | 81.9 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | trans | -81.1 | -12.1 | 165.3 | -66.9 | 179.5 | 0 | 0 | 0 | 112.1 | K126 K271 I274 L285 | K126-L289 PolarHBondContact NZ-O 3.12Å; K271-L289 HydrophobicContact CG-CB 4.22Å; I274-L289 HydrophobicContact CB-CD1 4.42Å; I274-L289 HydrophobicContact CG2-CD1 3.9Å; I274-L289 HydrophobicContact CG2-CD2 4.08Å; L285-L289 HydrophobicContact CD1-CD1 4.16Å; L285-L289 HydrophobicContact CD1-CD2 3.82Å; L285-L289 HydrophobicContact CD1-CG 4.06Å | ||
| 290 | D | 71.6 | Confident | 86.5 | Confident | 124 Ų | 124 | 75.2 Ų | 75.2 | 66% | 0.663 | 45% | 0.454 | S | S | * | . | trans | -67.2 | 0 | 169.1 | -52.2 | -46.3 | 0 | 0 | 0 | 112.8 | K126 K271 S288 | K126-D290 PolarHBondContact NZ-O 3.15Å; K271-D290 IonicContact NZ-OD1 3.54Å; K271-D290 PolarHBondContact NZ-OD1 2.89Å; S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 VanDerWaalsContact OG-CB 3.27Å; S288-D290 WeakPolarHBondContact OG-CB 3.44Å; S288-D290 PolarHBondContact OG-N 3.37Å; S288-D290 PolarHBondContact OG-OD2 2.98Å |
Retrieved 290 of 290 residues in 211 ms
(Link to these results)