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tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase

Methylates the 2'-O-ribose of nucleotides at positions 32 and 34 of the tRNA anticodon loop of substrate tRNAs1,2,3,4,5,6. Requisite for faithful cytoplasmic translation7. Requires THADA for methylation of the nucleotide at position 32 of the anticodon loop of substrate tRNAs8,9. Requires WDR6 for methylation of the nucleotide at position 34 of the anticodon loop of substrate tRNAs10,11. Promotes translation efficiency of the UUU codon12. Plays a role in neurogenesis13. Required for expression of genes involved in neurogenesis, mitochondrial translation and energy generation, and lipid biosynthesis14,15. Requisite for RNA-mediated gene silencing16. May modify position 32 in tRNA(Arg(ACG)), tRNA(Arg(CCG)), tRNA(Arg(UCG)), tRNA(Cys(GCA)), tRNA(Cys(ACA)), tRNA(Gln(CUG)), tRNA(Gln(UUG)), tRNA(Gly(CCC)), tRNA(Leu(CAG))/tRNA(Leu(CAA)), tRNA(Leu(A/IAG)), tRNA(Leu(UAG)), tRNA(Phe(GAA)), tRNA(Pro(AGG))/tRNA(Pro(CGG))/tRNA(Pro(UGG)) and tRNA(Trp(CCA)), and position 34 in tRNA(Phe(GAA)), tRNA(Leu(CAA)), tRNA(Sec(UCA)), and tRNA(Trp(CCA))17,18,19,20,21.

AlphaFold DB , UniProt , Accession Q9UET6, Species HUMAN (Homo sapiens, Human), Gene FTSJ1, Length 329 aa.

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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
1M49Very low79.6Confident203 Ų20380 Ų80100%139%0.389SS*.  0131.60-74-176.5-138.800109.1R9M1-R9 PolarHBondContact SD-NH2 3.28Å
2G69Low80.9Confident49 Ų4973.8 Ų73.851%0.50536%0.358SS..  trans-67.5148.8178.300000112.4T4 S5G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.08Å; G2-S5 WeakPolarHBondContact O-CB 3.33Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 PolarHBondContact O-OG 3.12Å
3R67.4Low81.9Confident192 Ų19272.2 Ų72.273%0.72535%0.346SS*.Hα-helixtrans-51.3-34.4-177.4-68.4-179.6-178.6172.80.1113.2Y262R3-Y262 HydrophobicContact CB-CD2 4.44Å; R3-Y262 HydrophobicContact CB-CE2 4.04Å
4T78Confident82.7Confident60 Ų6067.9 Ų67.937%0.36833%0.325SS..Hα-helixtrans-78-19-179.253.80000114.6G2 K6 D7 K8 L252 Y260G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.08Å; T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 3.27Å; T4-D7 PolarHBondContact O-N 2.95Å; T4-K8 PolarHBondContact O-N 2.89Å; T4-K8 VanDerWaalsContact O-N 3.12Å; T4-L252 HydrophobicContact CG2-CD1 4.25Å; T4-Y260 HydrophobicContact CG2-CE1 3.84Å
5S82.1Confident83.4Confident35 Ų3565.2 Ų65.225%0.24531%0.313CS..Hα-helixtrans-67.7-29.5-177.967.50000113.3G2 R9G2-S5 WeakPolarHBondContact O-CB 3.33Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 PolarHBondContact O-OG 3.12Å; S5-R9 WeakPolarHBondContact O-CG 3.09Å; S5-R9 PolarHBondContact O-N 3.26Å; S5-R9 PolarHBondContact O-NE 3.18Å
6K82.9Confident84.2Confident95 Ų9561.2 Ų61.241%0.41329%0.294SS..Hα-helixtrans-73.7-44.3175.4-170.8173.6178-178.50110.3T4 K8 R9 D10 Y13T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 3.27Å; K6-K8 VanDerWaalsContact C-N 3.26Å; K6-K8 PolarHBondContact O-N 3.07Å; K6-R9 PolarHBondContact O-N 3.36Å; K6-D10 WeakPolarHBondContact O-CB 3.37Å; K6-D10 PolarHBondContact O-N 3.18Å; K6-Y13 HydrophobicContact CD-CD1 3.94Å; K6-Y13 HydrophobicContact CD-CE1 3.66Å; K6-Y13 HydrophobicContact CD-CE2 4.48Å; K6-Y13 HydrophobicContact CD-CG 4.45Å; K6-Y13 HydrophobicContact CG-CD1 3.92Å; K6-Y13 HydrophobicContact CG-CE1 4.03Å
7D84.2Confident84.8Confident5 Ų558.2 Ų58.23%0.02728%0.279CS..Hα-helixtrans-62.3-32.1179-71.318.4000113T4 R14 K17 L252 Y260T4-D7 PolarHBondContact O-N 2.95Å; D7-R14 HydrophobicContact CB-CB 4.14Å; D7-R14 HydrophobicContact CB-CG 4.18Å; D7-K17 WeakPolarHBondContact OD1-CE 3.41Å; D7-K17 IonicContact OD1-NZ 3.78Å; D7-K17 PolarHBondContact OD1-NZ 3.48Å; D7-K17 IonicContact OD2-NZ 3.39Å; D7-K17 PolarHBondContact OD2-NZ 3.31Å; D7-L252 HydrophobicContact CB-CD2 3.97Å; D7-Y260 HydrophobicContact CB-CE2 4.48Å; D7-Y260 PolarHBondContact OD2-OH 3.16Å
8K86Confident85.2Confident98 Ų9859.2 Ų59.243%0.42628%0.284SS..Hα-helixtrans-68.3-40171.5-73.3-174.5178.2-172.40113.3T4 K6 S249 Y250 L252T4-K8 PolarHBondContact O-N 2.89Å; T4-K8 VanDerWaalsContact O-N 3.12Å; K6-K8 VanDerWaalsContact C-N 3.26Å; K6-K8 PolarHBondContact O-N 3.07Å; K8-S249 CarbonylContact O-C 3.48Å; K8-S249 WeakPolarHBondContact O-CA 3.36Å; K8-S249 WeakPolarHBondContact O-CB 3.41Å; K8-Y250 PolarHBondContact O-N 3.31Å; K8-L252 HydrophobicContact CD-CD1 4.48Å; K8-L252 HydrophobicContact CD-CG 4.26Å; K8-L252 HydrophobicContact CG-CD1 4.21Å; K8-L252 HydrophobicContact CG-CD2 3.62Å; K8-L252 HydrophobicContact CG-CG 3.63Å
9R90Very high85.7Confident127 Ų12761.3 Ų61.348%0.47930%0.296SS..Hα-helixtrans-87.5-17-174-70.3-171.9-62.2164.11114M1 S5 K6M1-R9 PolarHBondContact SD-NH2 3.28Å; S5-R9 WeakPolarHBondContact O-CG 3.09Å; S5-R9 PolarHBondContact O-N 3.26Å; S5-R9 PolarHBondContact O-NE 3.18Å; K6-R9 PolarHBondContact O-N 3.36Å
10D93.1Very high86.2Confident14 Ų1459.6 Ų59.68%0.07530%0.296CS..  trans-137.385.3-174.4-171.1-18.2000109.6K6 Y12 Y13 R14 R24K6-D10 WeakPolarHBondContact O-CB 3.37Å; K6-D10 PolarHBondContact O-N 3.18Å; D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.92Å; D10-Y12 PolarHBondContact OD1-N 2.91Å; D10-Y13 PolarHBondContact O-N 2.94Å; D10-Y13 VanDerWaalsContact OD1-CB 3.31Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.33Å; D10-Y13 PolarHBondContact OD1-N 3.41Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.41Å; D10-R14 PolarHBondContact O-N 3.1Å; D10-R24 IonicContact OD1-CZ 3.08Å; D10-R24 IonicContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH1 3.56Å; D10-R24 PolarHBondContact OD1-NH1 3.4Å; D10-R24 IonicContact OD1-NH2 3.54Å; D10-R24 WeakPolarHBondContact OD2-CD 3.46Å; D10-R24 IonicContact OD2-CZ 2.67Å; D10-R24 IonicContact OD2-NE 2.69Å; D10-R24 IonicContact OD2-NH1 3.23Å; D10-R24 PolarHBondContact OD2-NH1 3.44Å
11V93.5Very high86.7Confident2 Ų258 Ų581%0.01229%0.286CS..Hα-helixtrans-60.7-38-179.364.20000112.2R14 L15 Y244 Y250 L254V11-R14 WeakPolarHBondContact O-CB 3.39Å; V11-R14 PolarHBondContact O-N 3.18Å; V11-L15 HydrophobicContact CG2-CD1 4.09Å; V11-L15 HydrophobicContact CG2-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 2.94Å; V11-Y244 HydrophobicContact CB-CG 4.44Å; V11-Y244 HydrophobicContact CG1-CG 4.11Å; V11-Y244 HydrophobicContact CG2-CD1 3.95Å; V11-Y244 HydrophobicContact CG2-CD2 3.62Å; V11-Y244 HydrophobicContact CG2-CE1 4.31Å; V11-Y244 HydrophobicContact CG2-CE2 3.98Å; V11-Y244 HydrophobicContact CG2-CG 3.59Å; V11-Y250 HydrophobicContact CB-CD2 3.84Å; V11-Y250 HydrophobicContact CB-CE2 4.35Å; V11-Y250 HydrophobicContact CG1-CD2 4.05Å; V11-Y250 HydrophobicContact CG1-CE2 4.06Å; V11-Y250 HydrophobicContact CG2-CD2 4.2Å; V11-L254 HydrophobicContact CG2-CD1 4.36Å
12Y95.5Very high89Confident6 Ų649.7 Ų49.72%0.02424%0.244CC..Hα-helixtrans-73.1-32.7178.5-73.1-74.3000112.8D10 L15 A16 F27 Q31 S184 Y244D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.92Å; D10-Y12 PolarHBondContact OD1-N 2.91Å; Y12-L15 HydrophobicContact CD1-CD1 4.34Å; Y12-A16 VanDerWaalsContact O-CB 3.28Å; Y12-A16 WeakPolarHBondContact O-CB 3.3Å; Y12-A16 PolarHBondContact O-N 2.86Å; Y12-F27 HydrophobicContact CD1-CB 3.81Å; Y12-F27 HydrophobicContact CD1-CD1 4.16Å; Y12-F27 AromaticContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CE2 4.3Å; Y12-F27 AromaticContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CE1-CB 4.12Å; Y12-F27 HydrophobicContact CE1-CD1 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.11Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; Y12-F27 WeakPolarHBondContact O-CE2 3.42Å; Y12-Q31 PolarHBondContact OH-NE2 3.07Å; Y12-S184 VanDerWaalsContact CE2-CA 3.44Å; Y12-Y244 PolarHBondContact OH-O 2.7Å; Y12-Y244 VanDerWaalsContact OH-O 3.07Å
13Y94.5Very high90.3Very high52 Ų5248.3 Ų48.320%0.20423%0.228CC..Hα-helixtrans-64.6-41.8169.4176.5-98.1000111.7K6 D10 A16 K17K6-Y13 HydrophobicContact CD-CD1 3.94Å; K6-Y13 HydrophobicContact CD-CE1 3.66Å; K6-Y13 HydrophobicContact CD-CE2 4.48Å; K6-Y13 HydrophobicContact CD-CG 4.45Å; K6-Y13 HydrophobicContact CG-CD1 3.92Å; K6-Y13 HydrophobicContact CG-CE1 4.03Å; D10-Y13 PolarHBondContact O-N 2.94Å; D10-Y13 VanDerWaalsContact OD1-CB 3.31Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.33Å; D10-Y13 PolarHBondContact OD1-N 3.41Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.41Å; Y13-A16 PolarHBondContact O-N 3.13Å; Y13-K17 HydrophobicContact CD1-CD 4.46Å; Y13-K17 HydrophobicContact CE1-CD 3.86Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.17Å
14R92.9Very high91.7Very high13 Ų1341.1 Ų41.15%0.04920%0.201CC..Hα-helixtrans-62.4-53.9174.4179-170.7165173.5-0.2111.5D7 D10 V11 A16 K17 E18 P251 L252 L254D7-R14 HydrophobicContact CB-CB 4.14Å; D7-R14 HydrophobicContact CB-CG 4.18Å; D10-R14 PolarHBondContact O-N 3.1Å; V11-R14 WeakPolarHBondContact O-CB 3.39Å; V11-R14 PolarHBondContact O-N 3.18Å; R14-A16 PolarHBondContact O-N 3.35Å; R14-K17 PolarHBondContact O-N 3.4Å; R14-E18 HydrophobicContact CG-CG 4.47Å; R14-E18 IonicContact CZ-OE1 3.3Å; R14-E18 VanDerWaalsContact CZ-OE1 3.3Å; R14-E18 IonicContact NE-OE1 2.72Å; R14-E18 PolarHBondContact NE-OE1 3.27Å; R14-E18 IonicContact NE-OE2 3.59Å; R14-E18 IonicContact NH2-OE1 3.01Å; R14-E18 PolarHBondContact NH2-OE1 3.03Å; R14-E18 PolarHBondContact O-N 3.35Å; R14-P251 PolarHBondContact NH1-O 3.23Å; R14-L252 PolarHBondContact NH1-O 3.07Å; R14-L252 PolarHBondContact NH2-O 3.18Å; R14-L254 VanDerWaalsContact CZ-CD1 3.43Å; R14-L254 VanDerWaalsContact NH1-CG 3.3Å
15L93.4Very high92.6Very high27 Ų2739 Ų3914%0.14119%0.188CC..Hα-helixtrans-57.2-35.4178.5-72.9170.8000111.5V11 Y12 K17 E18 N19 F27 Y244V11-L15 HydrophobicContact CG2-CD1 4.09Å; V11-L15 HydrophobicContact CG2-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 2.94Å; Y12-L15 HydrophobicContact CD1-CD1 4.34Å; L15-K17 PolarHBondContact O-N 3.08Å; L15-E18 PolarHBondContact O-N 2.94Å; L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.33Å; L15-N19 PolarHBondContact O-N 2.9Å; L15-N19 PolarHBondContact O-ND2 3.15Å; L15-F27 HydrophobicContact CB-CE2 3.75Å; L15-F27 HydrophobicContact CB-CZ 3.56Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å; L15-Y244 HydrophobicContact CD1-CD2 3.72Å; L15-Y244 HydrophobicContact CD1-CE2 3.85Å
16A96Very high93.4Very high1 Ų137.3 Ų37.31%0.00818%0.177CC..Hα-helixtrans-60-47.9176.300000111.1Y12 Y13 R14 E18 N19 G20 W21 F27Y12-A16 VanDerWaalsContact O-CB 3.28Å; Y12-A16 WeakPolarHBondContact O-CB 3.3Å; Y12-A16 PolarHBondContact O-N 2.86Å; Y13-A16 PolarHBondContact O-N 3.13Å; R14-A16 PolarHBondContact O-N 3.35Å; A16-E18 PolarHBondContact O-N 3.49Å; A16-N19 CarbonylContact O-C 3.59Å; A16-N19 PolarHBondContact O-N 3.35Å; A16-G20 CarbonylContact O-C 3.55Å; A16-G20 PolarHBondContact O-N 3.19Å; A16-W21 HydrophobicContact CB-CB 3.96Å; A16-W21 PolarHBondContact O-N 2.8Å; A16-F27 HydrophobicContact CB-CE2 4.1Å
17K94Very high94.1Very high10 Ų1034.4 Ų34.44%0.04316%0.164CC..Hα-helixtrans-64.2-43.1177.4-58.6-177.8-61.2155.70112D7 Y13 R14 L15 N19 G20 T263D7-K17 WeakPolarHBondContact OD1-CE 3.41Å; D7-K17 IonicContact OD1-NZ 3.78Å; D7-K17 PolarHBondContact OD1-NZ 3.48Å; D7-K17 IonicContact OD2-NZ 3.39Å; D7-K17 PolarHBondContact OD2-NZ 3.31Å; Y13-K17 HydrophobicContact CD1-CD 4.46Å; Y13-K17 HydrophobicContact CE1-CD 3.86Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.17Å; R14-K17 PolarHBondContact O-N 3.4Å; L15-K17 PolarHBondContact O-N 3.08Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 2.64Å; K17-G20 PolarHBondContact O-N 2.87Å; K17-T263 HydrophobicContact CB-CG2 4.26Å; K17-T263 WeakPolarHBondContact CD-O 3.48Å; K17-T263 PolarHBondContact NZ-O 2.82Å; K17-T263 WeakPolarHBondContact O-CG2 3.36Å
18E92.7Very high94.8Very high77 Ų7735.1 Ų35.136%0.3617%0.167SC..Hα-helixtrans-64.9-35179.8-70.1172.4164.100112.5R14 L15 A16R14-E18 HydrophobicContact CG-CG 4.47Å; R14-E18 IonicContact CZ-OE1 3.3Å; R14-E18 VanDerWaalsContact CZ-OE1 3.3Å; R14-E18 IonicContact NE-OE1 2.72Å; R14-E18 PolarHBondContact NE-OE1 3.27Å; R14-E18 IonicContact NE-OE2 3.59Å; R14-E18 IonicContact NH2-OE1 3.01Å; R14-E18 PolarHBondContact NH2-OE1 3.03Å; R14-E18 PolarHBondContact O-N 3.35Å; L15-E18 PolarHBondContact O-N 2.94Å; A16-E18 PolarHBondContact O-N 3.49Å
19N94.3Very high95.4Very high99 Ų9930.4 Ų30.453%0.52915%0.146SC..THydrogen-bonded Turntrans-92.84.2178-69.9-89.4000113.4L15 A16 K17 W21L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.33Å; L15-N19 PolarHBondContact O-N 2.9Å; L15-N19 PolarHBondContact O-ND2 3.15Å; A16-N19 CarbonylContact O-C 3.59Å; A16-N19 PolarHBondContact O-N 3.35Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 2.64Å; N19-W21 VanDerWaalsContact C-N 3.33Å; N19-W21 PolarHBondContact O-N 3.25Å
20G95.5Very high95.7Very high27 Ų2726.1 Ų26.128%0.27813%0.133SC..THydrogen-bonded Turntrans71.821.6178.700000115A16 K17 Q57 T266A16-G20 CarbonylContact O-C 3.55Å; A16-G20 PolarHBondContact O-N 3.19Å; K17-G20 PolarHBondContact O-N 2.87Å; G20-Q57 PolarHBondContact O-NE2 3.32Å; G20-T266 VanDerWaalsContact C-OG1 3.28Å; G20-T266 WeakPolarHBondContact CA-OG1 3.47Å; G20-T266 WeakPolarHBondContact O-CG2 3.1Å
21W97.6Very high96Very high27 Ų2726.3 Ų26.310%0.10213%0.133CC..  trans-82.3135.5171.6-60.7117.3000111.4A16 N19 A23 A26 L30 Q57 V58 T266A16-W21 HydrophobicContact CB-CB 3.96Å; A16-W21 PolarHBondContact O-N 2.8Å; N19-W21 VanDerWaalsContact C-N 3.33Å; N19-W21 PolarHBondContact O-N 3.25Å; W21-A23 PolarHBondContact O-N 3.32Å; W21-A26 HydrophobicContact CB-CB 3.83Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 4Å; W21-A26 HydrophobicContact CG-CB 3.7Å; W21-L30 HydrophobicContact CZ2-CD1 4.1Å; W21-Q57 HydrophobicContact CE3-CB 4.38Å; W21-Q57 HydrophobicContact CE3-CG 3.93Å; W21-Q57 HydrophobicContact CZ3-CB 4.3Å; W21-Q57 HydrophobicContact CZ3-CG 3.79Å; W21-V58 HydrophobicContact CE3-CG2 3.93Å; W21-V58 HydrophobicContact CH2-CG2 3.91Å; W21-V58 HydrophobicContact CZ3-CB 4.35Å; W21-V58 HydrophobicContact CZ3-CG2 3.55Å; W21-T266 PolarHBondContact O-OG1 3.18Å
22R96.9Very high96.2Very high27 Ų2726.2 Ų26.210%0.10213%0.133CC..SBendtrans-59.2-31.5179-68.2-168.3172.5-173.5-1.8114.2P52 A80 P81 L82 Q267R22-P52 HydrophobicContact CB-CG 4.43Å; R22-P52 WeakPolarHBondContact CD-O 3.41Å; R22-P52 PolarHBondContact NH1-O 3.41Å; R22-A80 PolarHBondContact NH1-O 3.37Å; R22-A80 PolarHBondContact NH2-O 2.97Å; R22-P81 PolarHBondContact NH2-O 2.93Å; R22-L82 VanDerWaalsContact NH2-CD2 3.28Å; R22-L82 VanDerWaalsContact NH2-CG 3.3Å; R22-Q267 HydrophobicContact CB-CB 4.45Å; R22-Q267 HydrophobicContact CG-CB 3.86Å
23A96.5Very high96.3Very high21 Ų2127.3 Ų27.317%0.17414%0.139CC..SBendtrans-151.2160178.400000111.7W21 S25 A26 P52W21-A23 PolarHBondContact O-N 3.32Å; A23-S25 PolarHBondContact O-N 3.18Å; A23-A26 WeakPolarHBondContact O-CB 3.35Å; A23-A26 PolarHBondContact O-N 3.29Å; A23-P52 HydrophobicContact CB-CG 4.04Å
24R96.3Very high96.5Very high41 Ų4131.8 Ų31.816%0.15516%0.159CC..THydrogen-bonded Turntrans-60.8-23.5177.270.9172.9-71.9177.71.1113.9D10 A26 F27 S184D10-R24 IonicContact OD1-CZ 3.08Å; D10-R24 IonicContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH1 3.56Å; D10-R24 PolarHBondContact OD1-NH1 3.4Å; D10-R24 IonicContact OD1-NH2 3.54Å; D10-R24 WeakPolarHBondContact OD2-CD 3.46Å; D10-R24 IonicContact OD2-CZ 2.67Å; D10-R24 IonicContact OD2-NE 2.69Å; D10-R24 IonicContact OD2-NH1 3.23Å; D10-R24 PolarHBondContact OD2-NH1 3.44Å; R24-A26 PolarHBondContact O-N 3.13Å; R24-F27 WeakPolarHBondContact O-CD2 3.5Å; R24-F27 PolarHBondContact O-N 2.94Å; R24-S184 PolarHBondContact NH2-O 3.01Å
25S97.1Very high96.7Very high15 Ų1535.9 Ų35.911%0.10518%0.179CC..THydrogen-bonded Turntrans-64.7-17.2179.443.20000113.1A23 F27 K28 L29 S54 W55 D116A23-S25 PolarHBondContact O-N 3.18Å; S25-F27 PolarHBondContact O-N 3.23Å; S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 2.91Å; S25-L29 PolarHBondContact O-N 3.08Å; S25-S54 PolarHBondContact OG-OG 2.71Å; S25-W55 PolarHBondContact O-NE1 3.3Å; S25-D116 WeakPolarHBondContact CB-OD2 3.48Å
26A98.2Very high96.9Very high0 Ų035.9 Ų35.90%018%0.178CC..Hα-helixtrans-51.5-39.917000000112.1W21 A23 R24 K28 L29 L30 V58W21-A26 HydrophobicContact CB-CB 3.83Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 4Å; W21-A26 HydrophobicContact CG-CB 3.7Å; A23-A26 WeakPolarHBondContact O-CB 3.35Å; A23-A26 PolarHBondContact O-N 3.29Å; R24-A26 PolarHBondContact O-N 3.13Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 3.4Å; A26-L29 PolarHBondContact O-N 2.55Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.35Å; A26-V58 HydrophobicContact CB-CG2 3.8Å
27F97.9Very high97Very high33 Ų3341.5 Ų41.515%0.14520%0.204CC..Hα-helixtrans-66.3-26.6177.6-67.1-76.2000113.5Y12 L15 A16 R24 S25 Q31Y12-F27 HydrophobicContact CD1-CB 3.81Å; Y12-F27 HydrophobicContact CD1-CD1 4.16Å; Y12-F27 AromaticContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CE2 4.3Å; Y12-F27 AromaticContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CE1-CB 4.12Å; Y12-F27 HydrophobicContact CE1-CD1 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.11Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; Y12-F27 WeakPolarHBondContact O-CE2 3.42Å; L15-F27 HydrophobicContact CB-CE2 3.75Å; L15-F27 HydrophobicContact CB-CZ 3.56Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å; A16-F27 HydrophobicContact CB-CE2 4.1Å; R24-F27 WeakPolarHBondContact O-CD2 3.5Å; R24-F27 PolarHBondContact O-N 2.94Å; S25-F27 PolarHBondContact O-N 3.23Å; F27-Q31 VanDerWaalsContact O-CB 3.3Å; F27-Q31 WeakPolarHBondContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.24Å
28K98.2Very high97.1Very high20 Ų2041.2 Ų41.29%0.08720%0.203CC..Hα-helixtrans-64.8-52.1175.7-57.6179-169.2177.90109.7S25 A26 L30 Q31 L32 W55 D116 P182 S184 E191 F193S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 2.91Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.47Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.3Å; K28-W55 HydrophobicContact CB-CZ2 4.16Å; K28-D116 IonicContact NZ-OD1 3.87Å; K28-D116 PolarHBondContact NZ-OD1 2.83Å; K28-D116 IonicContact NZ-OD2 3.76Å; K28-P182 HydrophobicContact CB-CB 4.21Å; K28-P182 HydrophobicContact CB-CG 4.08Å; K28-P182 HydrophobicContact CG-CB 4.45Å; K28-S184 VanDerWaalsContact CA-OG 3.3Å; K28-S184 WeakPolarHBondContact CA-OG 3.25Å; K28-S184 WeakPolarHBondContact CG-OG 2.98Å; K28-S184 PolarHBondContact N-OG 3.35Å; K28-E191 WeakPolarHBondContact CE-OE1 3.3Å; K28-E191 IonicContact NZ-OE1 2.77Å; K28-E191 PolarHBondContact NZ-OE1 3.32Å; K28-E191 IonicContact NZ-OE2 2.7Å; K28-F193 HydrophobicContact CB-CE2 4.47Å; K28-F193 HydrophobicContact CB-CZ 4.41Å; K28-F193 HydrophobicContact CD-CE2 3.92Å; K28-F193 HydrophobicContact CD-CZ 3.65Å
29L98.6Very high97.3Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-64.2-41.6179.3-173.659000112S25 A26 Q31 L32 D33 L38 F39 W55 V58 L59 V114S25-L29 PolarHBondContact O-N 3.08Å; A26-L29 PolarHBondContact O-N 2.55Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.47Å; L29-L32 PolarHBondContact O-N 2.8Å; L29-D33 WeakPolarHBondContact O-CB 3.43Å; L29-D33 PolarHBondContact O-N 3.35Å; L29-L38 HydrophobicContact CD1-CD1 4.33Å; L29-F39 HydrophobicContact CD1-CE1 4.36Å; L29-F39 HydrophobicContact CD1-CZ 4.27Å; L29-F39 HydrophobicContact CD2-CE1 4.36Å; L29-F39 HydrophobicContact CD2-CZ 3.98Å; L29-F39 HydrophobicContact CG-CE1 4.35Å; L29-F39 HydrophobicContact CG-CZ 3.83Å; L29-W55 HydrophobicContact CB-CD2 3.89Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 3.95Å; L29-W55 HydrophobicContact CD1-CD2 4.36Å; L29-W55 HydrophobicContact CD1-CE3 4.22Å; L29-W55 HydrophobicContact CD1-CH2 4.31Å; L29-W55 HydrophobicContact CD1-CZ2 4.48Å; L29-W55 HydrophobicContact CD1-CZ3 4.21Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.9Å; L29-W55 HydrophobicContact CD2-CE3 4.23Å; L29-W55 HydrophobicContact CD2-CG 3.78Å; L29-W55 HydrophobicContact CG-CD2 4.26Å; L29-W55 HydrophobicContact CG-CG 4.48Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.88Å; L29-V58 HydrophobicContact CG-CG1 4.23Å; L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.19Å; L29-V114 HydrophobicContact CD1-CG1 4.35Å
30L98Very high97.3Very high37 Ų3740.2 Ų40.219%0.19420%0.195CC..Hα-helixtrans-61.6-37.2176-70.7168.8000112.7W21 A26 K28 K34 V58W21-L30 HydrophobicContact CZ2-CD1 4.1Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.35Å; K28-L30 PolarHBondContact O-N 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.31Å; L30-K34 PolarHBondContact O-N 2.7Å; L30-V58 HydrophobicContact CD1-CG2 4.45Å; L30-V58 HydrophobicContact CD2-CG1 3.75Å; L30-V58 HydrophobicContact CD2-CG2 4.41Å; L30-V58 HydrophobicContact CG-CG1 4.13Å; L30-V58 HydrophobicContact CG-CG2 4.15Å
31Q98.2Very high97.2Very high18 Ų1841.4 Ų41.48%0.08421%0.207CC..Hα-helixtrans-72.2-38.9176.3-76171.4-14.900112Y12 F27 K28 L29 K34 E35 P182 R183 S184 C238Y12-Q31 PolarHBondContact OH-NE2 3.07Å; F27-Q31 VanDerWaalsContact O-CB 3.3Å; F27-Q31 WeakPolarHBondContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.47Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.47Å; Q31-K34 PolarHBondContact O-N 3.07Å; Q31-E35 PolarHBondContact O-N 3.01Å; Q31-P182 HydrophobicContact CB-CB 4.19Å; Q31-P182 VanDerWaalsContact OE1-CB 3.24Å; Q31-R183 VanDerWaalsContact OE1-N 3.13Å; Q31-S184 VanDerWaalsContact OE1-CB 3.27Å; Q31-S184 PolarHBondContact OE1-OG 2.86Å; Q31-C238 HydrophobicContact CB-CB 4.16Å
32L98.6Very high97.2Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-63.4-46173.7-68166000111K28 L29 K34 E35 F36 L38 W55 V154 A180 P182 F193 V195K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.8Å; L32-K34 PolarHBondContact O-N 3.16Å; L32-E35 PolarHBondContact O-N 2.97Å; L32-F36 HydrophobicContact CD2-CD2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.47Å; L32-L38 HydrophobicContact CB-CD1 3.8Å; L32-W55 HydrophobicContact CD1-CH2 4.19Å; L32-W55 HydrophobicContact CD1-CZ2 4.42Å; L32-V154 HydrophobicContact CD1-CG1 4Å; L32-A180 HydrophobicContact CD2-CB 3.44Å; L32-A180 VanDerWaalsContact CD2-CB 3.44Å; L32-P182 HydrophobicContact CD1-CG 4.17Å; L32-P182 HydrophobicContact CD2-CG 3.94Å; L32-P182 HydrophobicContact CG-CG 3.84Å; L32-F193 HydrophobicContact CD1-CB 4.15Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.2Å; L32-F193 HydrophobicContact CD1-CG 3.85Å; L32-F193 HydrophobicContact CD2-CB 4.3Å; L32-V195 HydrophobicContact CD2-CG2 4.13Å
33D97.9Very high97.1Very high28 Ų2841.4 Ų41.415%0.1521%0.214CC..Hα-helixtrans-61.1-42.5176.7173.960.8000112.2L29 E35 F36 Q37 L38 F39L29-D33 WeakPolarHBondContact O-CB 3.43Å; L29-D33 PolarHBondContact O-N 3.35Å; D33-E35 PolarHBondContact O-N 3.19Å; D33-F36 PolarHBondContact O-N 2.99Å; D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.44Å; D33-Q37 PolarHBondContact O-N 2.79Å; D33-L38 HydrophobicContact CB-CB 4.4Å; D33-L38 PolarHBondContact OD1-N 2.86Å; D33-L38 VanDerWaalsContact OD1-N 3.11Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.43Å; D33-F39 HydrophobicContact CB-CE2 3.52Å; D33-F39 HydrophobicContact CB-CG 4.46Å; D33-F39 HydrophobicContact CB-CZ 3.85Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.48Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.4Å; D33-F39 PolarHBondContact OD1-N 3.12Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.25Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.38Å
34K97.3Very high97.1Very high147 Ų14743 Ų4364%0.63922%0.215SC*.Hα-helixtrans-57.9-36.1176.6-175.5179.1177.7-176.10112.6L30 Q31 L32L30-K34 WeakPolarHBondContact O-CB 3.31Å; L30-K34 PolarHBondContact O-N 2.7Å; Q31-K34 PolarHBondContact O-N 3.07Å; L32-K34 PolarHBondContact O-N 3.16Å
35E97.8Very high97.2Very high98 Ų9841 Ų4146%0.45821%0.208SC..Hα-helixtrans-81.5-44.4-178.3-168.663.4-15300112.2Q31 L32 D33 V236 C238Q31-E35 PolarHBondContact O-N 3.01Å; L32-E35 PolarHBondContact O-N 2.97Å; D33-E35 PolarHBondContact O-N 3.19Å; E35-V236 HydrophobicContact CG-CG1 3.87Å; E35-C238 HydrophobicContact CB-CB 4.29Å
36F97.9Very high97.3Very high27 Ų2740.3 Ų40.312%0.11820%0.203CC..Hα-helixtrans-109.90.5-168.5-54.5-66000114.8L32 D33 L38 L178 A180 V195 V236 C238L32-F36 HydrophobicContact CD2-CD2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.47Å; D33-F36 PolarHBondContact O-N 2.99Å; F36-L38 HydrophobicContact CB-CD2 3.81Å; F36-L38 HydrophobicContact CB-CG 4.01Å; F36-L38 PolarHBondContact O-N 3.11Å; F36-L178 HydrophobicContact CD1-CD2 4.03Å; F36-L178 HydrophobicContact CE1-CD1 3.64Å; F36-L178 HydrophobicContact CE1-CD2 3.49Å; F36-L178 VanDerWaalsContact CE1-CD2 3.49Å; F36-L178 HydrophobicContact CE1-CG 4.22Å; F36-L178 HydrophobicContact CE2-CD1 4.1Å; F36-L178 HydrophobicContact CZ-CD1 3.37Å; F36-L178 HydrophobicContact CZ-CD2 4.15Å; F36-L178 HydrophobicContact CZ-CG 4.41Å; F36-A180 HydrophobicContact CE2-CB 3.65Å; F36-A180 HydrophobicContact CZ-CB 3.92Å; F36-V195 HydrophobicContact CB-CG1 4.43Å; F36-V195 HydrophobicContact CD1-CG1 4.48Å; F36-V195 HydrophobicContact CD2-CG1 4.04Å; F36-V195 HydrophobicContact CD2-CG2 4.02Å; F36-V195 HydrophobicContact CE2-CG1 4.48Å; F36-V195 HydrophobicContact CE2-CG2 3.88Å; F36-V195 HydrophobicContact CG-CG1 4.05Å; F36-V236 HydrophobicContact CE1-CG1 4.37Å; F36-V236 HydrophobicContact CE1-CG2 4.47Å; F36-V236 HydrophobicContact CZ-CB 3.98Å; F36-V236 HydrophobicContact CZ-CG1 3.89Å; F36-V236 HydrophobicContact CZ-CG2 4.36Å; F36-C238 VanDerWaalsContact CE2-SG 3.55Å
37Q97Very high97.3Very high120 Ų12040.4 Ų40.456%0.56120%0.203SC*.  trans5441.3-178.7-56.4174.932.200112.3D33 F39 Q40D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.44Å; D33-Q37 PolarHBondContact O-N 2.79Å; Q37-F39 PolarHBondContact O-N 3.4Å; Q37-Q40 HydrophobicContact CB-CB 4.34Å; Q37-Q40 WeakPolarHBondContact O-CB 3.37Å; Q37-Q40 PolarHBondContact O-N 3.08Å
38L97.7Very high97.4Very high4 Ų438.9 Ų38.92%0.02120%0.196CC..THydrogen-bonded Turntrans-57.4-27.8-171.7-64.3175.8000113.3L29 L32 D33 F36 V42 V154 V195L29-L38 HydrophobicContact CD1-CD1 4.33Å; L32-L38 HydrophobicContact CB-CD1 3.8Å; D33-L38 HydrophobicContact CB-CB 4.4Å; D33-L38 PolarHBondContact OD1-N 2.86Å; D33-L38 VanDerWaalsContact OD1-N 3.11Å; F36-L38 HydrophobicContact CB-CD2 3.81Å; F36-L38 HydrophobicContact CB-CG 4.01Å; F36-L38 PolarHBondContact O-N 3.11Å; L38-V42 WeakPolarHBondContact O-CG2 3.35Å; L38-V154 HydrophobicContact CD1-CG2 3.89Å; L38-V154 HydrophobicContact CD2-CG2 3.85Å; L38-V195 HydrophobicContact CD2-CG1 4.16Å
39F96.6Very high97.4Very high9 Ų939.2 Ų39.24%0.03920%0.201CC..THydrogen-bonded Turntrans-91.5-0.8-178.4-52.7-30.7000114.4L29 D33 Q37 G41 V42 V58 L59 K62 Q66 L112L29-F39 HydrophobicContact CD1-CE1 4.36Å; L29-F39 HydrophobicContact CD1-CZ 4.27Å; L29-F39 HydrophobicContact CD2-CE1 4.36Å; L29-F39 HydrophobicContact CD2-CZ 3.98Å; L29-F39 HydrophobicContact CG-CE1 4.35Å; L29-F39 HydrophobicContact CG-CZ 3.83Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.43Å; D33-F39 HydrophobicContact CB-CE2 3.52Å; D33-F39 HydrophobicContact CB-CG 4.46Å; D33-F39 HydrophobicContact CB-CZ 3.85Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.48Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.4Å; D33-F39 PolarHBondContact OD1-N 3.12Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.25Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.38Å; Q37-F39 PolarHBondContact O-N 3.4Å; F39-G41 PolarHBondContact O-N 2.87Å; F39-V42 PolarHBondContact O-N 3.42Å; F39-V58 HydrophobicContact CE2-CG1 3.9Å; F39-V58 HydrophobicContact CZ-CG1 3.75Å; F39-L59 HydrophobicContact CD1-CD2 4.11Å; F39-L59 HydrophobicContact CE1-CD2 3.52Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; F39-K62 HydrophobicContact CD2-CB 3.56Å; F39-K62 HydrophobicContact CD2-CD 4.26Å; F39-K62 HydrophobicContact CD2-CG 3.78Å; F39-K62 HydrophobicContact CE2-CB 3.85Å; F39-K62 HydrophobicContact CE2-CD 4.38Å; F39-K62 HydrophobicContact CE2-CG 3.67Å; F39-K62 HydrophobicContact CG-CB 4.21Å; F39-Q66 PolarHBondContact O-NE2 3.07Å; F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.07Å
40Q94.2Very high97.3Very high145 Ų14539.4 Ų39.468%0.67820%0.203SC*.THydrogen-bonded Turntrans-67.3119.4-179.3-170.8177.33300110.7Q37 V42Q37-Q40 HydrophobicContact CB-CB 4.34Å; Q37-Q40 WeakPolarHBondContact O-CB 3.37Å; Q37-Q40 PolarHBondContact O-N 3.08Å; Q40-V42 PolarHBondContact O-N 3.19Å
41G93.8Very high97.2Very high53 Ų5338.9 Ų38.955%0.54620%0.203SC..THydrogen-bonded Turntrans68.811.1179.400000114.7F39F39-G41 PolarHBondContact O-N 2.87Å
42V96.4Very high97.1Very high8 Ų840.6 Ų40.65%0.04822%0.216CC..  trans-81.3127.4176.2174.60000109.6L38 F39 Q40 A45 I63 D111 L112L38-V42 WeakPolarHBondContact O-CG2 3.35Å; F39-V42 PolarHBondContact O-N 3.42Å; Q40-V42 PolarHBondContact O-N 3.19Å; V42-A45 HydrophobicContact CG1-CB 4.11Å; V42-I63 HydrophobicContact CB-CD1 4.28Å; V42-I63 HydrophobicContact CB-CG1 4.31Å; V42-I63 HydrophobicContact CG1-CD1 3.46Å; V42-I63 VanDerWaalsContact CG1-CD1 3.46Å; V42-I63 HydrophobicContact CG1-CG1 3.98Å; V42-I63 HydrophobicContact CG1-CG2 4.44Å; V42-I63 WeakPolarHBondContact O-CG2 3.23Å; V42-D111 HydrophobicContact CB-CB 4.34Å; V42-D111 HydrophobicContact CG1-CB 4.15Å; V42-D111 HydrophobicContact CG2-CB 4.17Å; V42-L112 HydrophobicContact CG1-CB 3.91Å; V42-L112 HydrophobicContact CG1-CD2 4.45Å; V42-L112 HydrophobicContact CG2-CB 3.98Å; V42-L112 HydrophobicContact CG2-CD2 4.45Å
43T95.4Very high97Very high46 Ų4640.6 Ų40.628%0.28222%0.216SC..  trans-120.2-29.4177.359.30000112.3G69 H70 D111T43-G69 CarbonylContact O-C 3.59Å; T43-G69 WeakPolarHBondContact O-CA 3.45Å; T43-H70 PolarHBondContact O-N 2.81Å; T43-D111 WeakPolarHBondContact CA-OD2 3.5Å; T43-D111 PolarHBondContact N-OD2 2.8Å; T43-D111 PolarHBondContact OG1-OD2 2.9Å
44R97Very high97Very high54 Ų5439.4 Ų39.420%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-125.3117.8177.3-69.5174.6-58.4-57.2-18.7108.9H70 F105 P109 D111 L112R44-H70 WeakPolarHBondContact CA-O 3.39Å; R44-H70 HydrophobicContact CG-CB 4.41Å; R44-F105 HydrophobicContact CB-CD1 4.03Å; R44-F105 HydrophobicContact CB-CE1 3.77Å; R44-F105 HydrophobicContact CB-CZ 4.07Å; R44-F105 HydrophobicContact CG-CD1 3.79Å; R44-F105 HydrophobicContact CG-CE1 3.95Å; R44-F105 HydrophobicContact CG-CG 4.44Å; R44-P109 VanDerWaalsContact CZ-O 3.23Å; R44-P109 PolarHBondContact NE-O 3.19Å; R44-P109 PolarHBondContact NH2-O 3.11Å; R44-D111 IonicContact CZ-OD2 2.69Å; R44-D111 PolarHBondContact N-OD2 2.8Å; R44-D111 IonicContact NH2-OD1 3.58Å; R44-D111 PolarHBondContact NH2-OD1 3.32Å; R44-D111 VanDerWaalsContact NH2-OD1 3.14Å; R44-D111 IonicContact NH2-OD2 3.89Å; R44-D111 PolarHBondContact O-N 3.02Å; R44-L112 PolarHBondContact O-N 2.87Å
45A98.3Very high97.1Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-124.6142178.800000111.7V42 L59 I63 H70 V71 V72 L112V42-A45 HydrophobicContact CG1-CB 4.11Å; A45-L59 HydrophobicContact CB-CD1 4.14Å; A45-L59 HydrophobicContact CB-CD2 4.03Å; A45-I63 HydrophobicContact CB-CD1 3.64Å; A45-H70 PolarHBondContact N-O 3.5Å; A45-V71 WeakPolarHBondContact O-CA 3.29Å; A45-V72 PolarHBondContact O-N 2.89Å; A45-L112 CarbonylContact C-O 3.51Å; A45-L112 VanDerWaalsContact CA-O 3.26Å; A45-L112 WeakPolarHBondContact CA-O 3.33Å; A45-L112 HydrophobicContact CB-CB 4.41Å
46V98.7Very high97.1Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-111.6130.4173.6-176.50000109.2L48 V72 I101 F105 A110 L112 V113 V114 V146V46-L48 HydrophobicContact CG1-CD2 3.51Å; V46-L48 HydrophobicContact CG1-CG 3.98Å; V46-V72 CarbonylContact C-O 3.48Å; V46-V72 VanDerWaalsContact CA-O 3.28Å; V46-V72 WeakPolarHBondContact CA-O 3.4Å; V46-I101 HydrophobicContact CG1-CD1 4.17Å; V46-I101 HydrophobicContact CG1-CG2 4.42Å; V46-I101 HydrophobicContact CG2-CG2 3.71Å; V46-F105 HydrophobicContact CG2-CE2 3.47Å; V46-F105 VanDerWaalsContact CG2-CE2 3.47Å; V46-F105 HydrophobicContact CG2-CZ 3.84Å; V46-A110 HydrophobicContact CG2-CB 3.9Å; V46-L112 PolarHBondContact N-O 3.41Å; V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.03Å; V46-V113 HydrophobicContact CG2-CG2 4.28Å; V46-V113 CarbonylContact O-C 3.57Å; V46-V113 WeakPolarHBondContact O-CA 3.38Å; V46-V114 WeakPolarHBondContact O-CG2 3.39Å; V46-V114 PolarHBondContact O-N 3.49Å; V46-V146 HydrophobicContact CG2-CG2 4.23Å
47D98.8Very high97.1Very high2 Ų227.7 Ų27.71%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-110.4109172.8-171.717.5000108.8A50 W55 S56 L59 V72 A73 V74 V114D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.32Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; D47-S56 WeakPolarHBondContact OD2-CA 3.31Å; D47-S56 WeakPolarHBondContact OD2-CB 3.48Å; D47-S56 PolarHBondContact OD2-N 3.07Å; D47-S56 PolarHBondContact OD2-OG 3.28Å; D47-L59 HydrophobicContact CB-CD1 4.01Å; D47-V72 PolarHBondContact N-O 3.36Å; D47-A73 HydrophobicContact CB-CB 4.4Å; D47-A73 CarbonylContact O-C 3.58Å; D47-A73 WeakPolarHBondContact O-CA 3.37Å; D47-V74 PolarHBondContact O-N 3.15Å; D47-V114 HydrophobicContact CB-CG2 4.1Å
48L98.7Very high97.1Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-96.2142.9179.9-57.9179.4000110.2V46 A50 V74 I92 I101 V113 V114 C115 A139 I142V46-L48 HydrophobicContact CG1-CD2 3.51Å; V46-L48 HydrophobicContact CG1-CG 3.98Å; L48-A50 VanDerWaalsContact C-N 3.26Å; L48-A50 PolarHBondContact O-N 3.03Å; L48-V74 CarbonylContact C-O 3.39Å; L48-V74 HydrophobicContact CD2-CB 4.08Å; L48-V74 HydrophobicContact CD2-CG2 4.1Å; L48-I92 HydrophobicContact CB-CG2 4.37Å; L48-I92 HydrophobicContact CD2-CG2 3.98Å; L48-I101 HydrophobicContact CD2-CD1 4.28Å; L48-V113 HydrophobicContact CD1-CG1 3.69Å; L48-V113 HydrophobicContact CG-CG1 4.06Å; L48-V114 PolarHBondContact N-O 3.03Å; L48-C115 HydrophobicContact CB-CB 4.05Å; L48-C115 WeakPolarHBondContact O-CA 3.17Å; L48-A139 HydrophobicContact CD1-CB 3.89Å; L48-I142 HydrophobicContact CD1-CB 4.07Å; L48-I142 HydrophobicContact CD1-CG2 3.97Å; L48-I142 HydrophobicContact CD2-CG2 3.98Å
49C97.8Very high97.1Very high27 Ų2721.8 Ų21.818%0.18213%0.13CC..SBendtrans53.148.4-170.4-53.30000111.1V74 D75C49-V74 WeakPolarHBondContact CA-O 3.45Å; C49-V74 PolarHBondContact N-O 2.68Å; C49-D75 VanDerWaalsContact CA-OD2 3.27Å; C49-D75 WeakPolarHBondContact CA-OD2 3.48Å
50A97.9Very high97.1Very high5 Ų522.4 Ų22.44%0.04114%0.136CC..  trans-74.8-22.9-164.600000114.9D47 L48 G53 A73 V74 D75 M79D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.32Å; L48-A50 VanDerWaalsContact C-N 3.26Å; L48-A50 PolarHBondContact O-N 3.03Å; A50-G53 WeakPolarHBondContact O-CA 3.44Å; A50-G53 PolarHBondContact O-N 3.36Å; A50-A73 HydrophobicContact CB-CB 3.77Å; A50-V74 PolarHBondContact N-O 3.48Å; A50-D75 PolarHBondContact N-OD2 2.9Å; A50-M79 HydrophobicContact CB-SD 4.44Å
51A95.8Very high97.1Very high25 Ų2520.5 Ų20.521%0.20713%0.127CC..THydrogen-bonded Turntrans-61.8134.6-172.100000111D75 Q77A51-D75 HydrophobicContact CB-CB 4Å; A51-D75 VanDerWaalsContact CB-CG 3.42Å; A51-D75 VanDerWaalsContact CB-OD2 3.3Å; A51-D75 WeakPolarHBondContact CB-OD2 3.38Å; A51-D75 PolarHBondContact N-OD2 3.39Å; A51-Q77 HydrophobicContact CB-CB 4.09Å
52P96.2Very high97.1Very high54 Ų5422.5 Ų22.535%0.35112%0.12SC..THydrogen-bonded Turncis-89.78.310.137.1-37.8000114.8R22 A23 M79R22-P52 HydrophobicContact CB-CG 4.43Å; R22-P52 WeakPolarHBondContact CD-O 3.41Å; R22-P52 PolarHBondContact NH1-O 3.41Å; A23-P52 HydrophobicContact CB-CG 4.04Å; P52-M79 VanDerWaalsContact C-SD 3.56Å
53G96.9Very high96.9Very high0 Ų022.1 Ų22.10%012%0.118CC..  trans103.721.1173.800000115A50 Q57 M79 L82A50-G53 WeakPolarHBondContact O-CA 3.44Å; A50-G53 PolarHBondContact O-N 3.36Å; G53-Q57 VanDerWaalsContact O-CB 3.22Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.32Å; G53-M79 WeakPolarHBondContact CA-SD 3.29Å; G53-M79 PolarHBondContact N-SD 3.46Å; G53-M79 VanDerWaalsContact N-SD 3.38Å; G53-L82 WeakPolarHBondContact O-CD1 3.38Å
54S97.7Very high96.1Very high4 Ų421.5 Ų21.53%0.02812%0.121CC..Hα-helixtrans-67.6-38179.444.60000113S25 V58S25-S54 PolarHBondContact OG-OG 2.71Å; S54-V58 WeakPolarHBondContact O-CG2 3.31Å; S54-V58 PolarHBondContact O-N 3.05Å; S54-V58 VanDerWaalsContact O-N 3.15Å
55W98.5Very high95Very high3 Ų322.3 Ų22.31%0.01115%0.146CC..Hα-helixtrans-73.2-44.3175.9-79.925.7000110.4S25 K28 L29 L32 D47 Q57 V58 L59 V114 D116 V154 F193S25-W55 PolarHBondContact O-NE1 3.3Å; K28-W55 HydrophobicContact CB-CZ2 4.16Å; L29-W55 HydrophobicContact CB-CD2 3.89Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 3.95Å; L29-W55 HydrophobicContact CD1-CD2 4.36Å; L29-W55 HydrophobicContact CD1-CE3 4.22Å; L29-W55 HydrophobicContact CD1-CH2 4.31Å; L29-W55 HydrophobicContact CD1-CZ2 4.48Å; L29-W55 HydrophobicContact CD1-CZ3 4.21Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.9Å; L29-W55 HydrophobicContact CD2-CE3 4.23Å; L29-W55 HydrophobicContact CD2-CG 3.78Å; L29-W55 HydrophobicContact CG-CD2 4.26Å; L29-W55 HydrophobicContact CG-CG 4.48Å; L32-W55 HydrophobicContact CD1-CH2 4.19Å; L32-W55 HydrophobicContact CD1-CZ2 4.42Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; W55-Q57 VanDerWaalsContact C-N 3.26Å; W55-Q57 PolarHBondContact O-N 3.2Å; W55-V58 WeakPolarHBondContact O-CB 3.11Å; W55-V58 PolarHBondContact O-N 3.47Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 3.04Å; W55-V114 HydrophobicContact CE3-CB 3.64Å; W55-V114 HydrophobicContact CE3-CG2 3.64Å; W55-V114 HydrophobicContact CZ3-CB 3.68Å; W55-V114 HydrophobicContact CZ3-CG1 4.47Å; W55-V114 HydrophobicContact CZ3-CG2 4.22Å; W55-D116 HydrophobicContact CD2-CB 3.82Å; W55-D116 HydrophobicContact CE3-CB 3.99Å; W55-D116 HydrophobicContact CH2-CB 4Å; W55-D116 HydrophobicContact CZ2-CB 3.76Å; W55-D116 HydrophobicContact CZ3-CB 4.06Å; W55-V154 HydrophobicContact CH2-CG1 4.48Å; W55-F193 AromaticContact CH2-CD1 3.74Å; W55-F193 HydrophobicContact CH2-CD1 3.74Å; W55-F193 AromaticContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CZ 4.26Å; W55-F193 HydrophobicContact CZ2-CD1 4.34Å; W55-F193 AromaticContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CZ 4.07Å; W55-F193 HydrophobicContact CZ3-CE1 4.46Å
56S98.2Very high93.8Very high0 Ų027.4 Ų27.40%017%0.169CC..Hα-helixtrans-50.5-43.4168.8-65.70000113.1D47 L59 S60 A73D47-S56 WeakPolarHBondContact OD2-CA 3.31Å; D47-S56 WeakPolarHBondContact OD2-CB 3.48Å; D47-S56 PolarHBondContact OD2-N 3.07Å; D47-S56 PolarHBondContact OD2-OG 3.28Å; S56-L59 PolarHBondContact O-N 3.35Å; S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.45Å; S56-A73 VanDerWaalsContact OG-CB 3.22Å; S56-A73 WeakPolarHBondContact OG-CB 3.47Å
57Q97.3Very high92.1Very high22 Ų2230.7 Ų30.710%0.10320%0.204CC..Hα-helixtrans-65.9-40.9177.1-171.2-174.111.600112.1G20 W21 G53 W55 S60 Q61 L82G20-Q57 PolarHBondContact O-NE2 3.32Å; W21-Q57 HydrophobicContact CE3-CB 4.38Å; W21-Q57 HydrophobicContact CE3-CG 3.93Å; W21-Q57 HydrophobicContact CZ3-CB 4.3Å; W21-Q57 HydrophobicContact CZ3-CG 3.79Å; G53-Q57 VanDerWaalsContact O-CB 3.22Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.32Å; W55-Q57 VanDerWaalsContact C-N 3.26Å; W55-Q57 PolarHBondContact O-N 3.2Å; Q57-S60 PolarHBondContact O-OG 3.25Å; Q57-Q61 VanDerWaalsContact O-CG 3.31Å; Q57-Q61 WeakPolarHBondContact O-CG 3.3Å; Q57-Q61 PolarHBondContact O-N 3.08Å; Q57-L82 HydrophobicContact CB-CD1 4.47Å; Q57-L82 HydrophobicContact CB-CD2 4.3Å; Q57-L82 HydrophobicContact CG-CD2 4.35Å
58V97.9Very high90.9Very high0 Ų034.3 Ų34.30%023%0.229CC..Hα-helixtrans-64.2-48.8174.7169.40000110.1W21 A26 L29 L30 F39 S54 W55 S60 Q61 K62W21-V58 HydrophobicContact CE3-CG2 3.93Å; W21-V58 HydrophobicContact CH2-CG2 3.91Å; W21-V58 HydrophobicContact CZ3-CB 4.35Å; W21-V58 HydrophobicContact CZ3-CG2 3.55Å; A26-V58 HydrophobicContact CB-CG2 3.8Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.88Å; L29-V58 HydrophobicContact CG-CG1 4.23Å; L30-V58 HydrophobicContact CD1-CG2 4.45Å; L30-V58 HydrophobicContact CD2-CG1 3.75Å; L30-V58 HydrophobicContact CD2-CG2 4.41Å; L30-V58 HydrophobicContact CG-CG1 4.13Å; L30-V58 HydrophobicContact CG-CG2 4.15Å; F39-V58 HydrophobicContact CE2-CG1 3.9Å; F39-V58 HydrophobicContact CZ-CG1 3.75Å; S54-V58 WeakPolarHBondContact O-CG2 3.31Å; S54-V58 PolarHBondContact O-N 3.05Å; S54-V58 VanDerWaalsContact O-N 3.15Å; W55-V58 WeakPolarHBondContact O-CB 3.11Å; W55-V58 PolarHBondContact O-N 3.47Å; V58-S60 PolarHBondContact O-N 2.95Å; V58-Q61 PolarHBondContact O-N 3.16Å; V58-K62 HydrophobicContact CG1-CG 4.16Å; V58-K62 VanDerWaalsContact O-CB 3.3Å; V58-K62 WeakPolarHBondContact O-CB 3.46Å; V58-K62 WeakPolarHBondContact O-CG 3.42Å; V58-K62 PolarHBondContact O-N 3.1Å
59L97.8Very high90.2Very high0 Ų035.1 Ų35.10%024%0.238CC..Hα-helixtrans-58.5-48.7179.2-70.3170.8000111.5L29 F39 A45 D47 W55 S56 Q61 K62 I63 V71 L112 V114L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.19Å; F39-L59 HydrophobicContact CD1-CD2 4.11Å; F39-L59 HydrophobicContact CE1-CD2 3.52Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; A45-L59 HydrophobicContact CB-CD1 4.14Å; A45-L59 HydrophobicContact CB-CD2 4.03Å; D47-L59 HydrophobicContact CB-CD1 4.01Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 3.04Å; S56-L59 PolarHBondContact O-N 3.35Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.05Å; L59-K62 PolarHBondContact O-N 3Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 3.64Å; L59-I63 HydrophobicContact CG-CD1 4.49Å; L59-I63 VanDerWaalsContact O-CB 3.29Å; L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 PolarHBondContact O-N 3.44Å; L59-V71 HydrophobicContact CB-CG1 4.14Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 HydrophobicContact CD1-CG1 4.1Å; L59-L112 HydrophobicContact CD2-CD2 3.95Å; L59-V114 HydrophobicContact CD1-CG2 3.78Å
60S95.6Very high89.9Confident22 Ų2238.8 Ų38.815%0.15425%0.252CS..Hα-helixtrans-65.5-36-177.672.50000112.4S56 Q57 V58 G64S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.45Å; Q57-S60 PolarHBondContact O-OG 3.25Å; V58-S60 PolarHBondContact O-N 2.95Å; S60-G64 WeakPolarHBondContact O-CA 3.26Å; S60-G64 PolarHBondContact O-N 3.49Å
61Q94.7Very high89.9Confident105 Ų10538.7 Ų38.749%0.49125%0.251SS..Hα-helixtrans-71.7-40.2175-70.6-17818.700112.7Q57 V58 L59 G65Q57-Q61 VanDerWaalsContact O-CG 3.31Å; Q57-Q61 WeakPolarHBondContact O-CG 3.3Å; Q57-Q61 PolarHBondContact O-N 3.08Å; V58-Q61 PolarHBondContact O-N 3.16Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.05Å; Q61-G65 PolarHBondContact O-N 2.84Å
62K94.3Very high90.1Very high95 Ų9537.6 Ų37.641%0.41324%0.241SC..Hα-helixtrans-80.9-39.5-173.8-68.7-72.7-174.8174.60113.6F39 V58 L59F39-K62 HydrophobicContact CD2-CB 3.56Å; F39-K62 HydrophobicContact CD2-CD 4.26Å; F39-K62 HydrophobicContact CD2-CG 3.78Å; F39-K62 HydrophobicContact CE2-CB 3.85Å; F39-K62 HydrophobicContact CE2-CD 4.38Å; F39-K62 HydrophobicContact CE2-CG 3.67Å; F39-K62 HydrophobicContact CG-CB 4.21Å; V58-K62 HydrophobicContact CG1-CG 4.16Å; V58-K62 VanDerWaalsContact O-CB 3.3Å; V58-K62 WeakPolarHBondContact O-CB 3.46Å; V58-K62 WeakPolarHBondContact O-CG 3.42Å; V58-K62 PolarHBondContact O-N 3.1Å; L59-K62 PolarHBondContact O-N 3Å
63I91.3Very high90.2Very high1 Ų135 Ų351%0.00523%0.225CC..Hα-helixtrans-91.6-39.2-179.1-60159.9000110.2V42 A45 L59 G65 Q66 G69V42-I63 HydrophobicContact CB-CD1 4.28Å; V42-I63 HydrophobicContact CB-CG1 4.31Å; V42-I63 HydrophobicContact CG1-CD1 3.46Å; V42-I63 VanDerWaalsContact CG1-CD1 3.46Å; V42-I63 HydrophobicContact CG1-CG1 3.98Å; V42-I63 HydrophobicContact CG1-CG2 4.44Å; V42-I63 WeakPolarHBondContact O-CG2 3.23Å; A45-I63 HydrophobicContact CB-CD1 3.64Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 3.64Å; L59-I63 HydrophobicContact CG-CD1 4.49Å; L59-I63 VanDerWaalsContact O-CB 3.29Å; L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 PolarHBondContact O-N 3.44Å; I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.31Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.05Å; I63-G69 VanDerWaalsContact CG2-CA 3.42Å
64G79Confident90.3Very high33 Ų3335 Ų3534%0.3423%0.225SC..Hα-helixtrans-63.7-33.5176.500000113.1S60 Q66 G67S60-G64 WeakPolarHBondContact O-CA 3.26Å; S60-G64 PolarHBondContact O-N 3.49Å; G64-Q66 PolarHBondContact O-N 3.29Å; G64-Q66 VanDerWaalsContact O-N 3.08Å; G64-G67 PolarHBondContact O-N 3.38Å
65G74Confident90.3Very high70 Ų7036 Ų3672%0.72223%0.23SC*.THydrogen-bonded Turntrans-59.9-15.8172.200000114.5Q61 I63Q61-G65 PolarHBondContact O-N 2.84Å; I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.31Å
66Q72.4Confident90.1Very high107 Ų10741.2 Ų41.250%0.526%0.257SS..THydrogen-bonded Turntrans-87.3-0.6176.9-53.3-179.5600113.4F39 I63 G64F39-Q66 PolarHBondContact O-NE2 3.07Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.05Å; G64-Q66 PolarHBondContact O-N 3.29Å; G64-Q66 VanDerWaalsContact O-N 3.08Å
67G63.8Low89.9Confident70 Ų7046.8 Ų46.872%0.72228%0.283SS*.SBendtrans109.6-25.4167.400000116.5G64G64-G67 PolarHBondContact O-N 3.38Å
68S73.9Confident89.8Confident77 Ų7747.8 Ų47.854%0.53830%0.295SS..  trans-150.534.8178.460.90000114.4H70S68-H70 PolarHBondContact O-CE1 2.87Å; S68-H70 PolarHBondContact O-N 2.91Å; S68-H70 PolarHBondContact O-ND1 3.31Å
69G82.8Confident89.6Confident18 Ų1848.9 Ų48.919%0.18630%0.301CS..  trans-66.5127.6176.600000113.2T43 I63T43-G69 CarbonylContact O-C 3.59Å; T43-G69 WeakPolarHBondContact O-CA 3.45Å; I63-G69 VanDerWaalsContact CG2-CA 3.42Å
70H93Very high89.5Confident104 Ų10449.4 Ų49.448%0.48131%0.305SS..EExtended strand (participates in β ladder)trans-114.2123.2174.6-64.674.7000109.7T43 R44 A45 S68 F105T43-H70 PolarHBondContact O-N 2.81Å; R44-H70 WeakPolarHBondContact CA-O 3.39Å; R44-H70 HydrophobicContact CG-CB 4.41Å; A45-H70 PolarHBondContact N-O 3.5Å; S68-H70 PolarHBondContact O-CE1 2.87Å; S68-H70 PolarHBondContact O-N 2.91Å; S68-H70 PolarHBondContact O-ND1 3.31Å; H70-F105 HydrophobicContact CB-CD1 4.36Å; H70-F105 HydrophobicContact CB-CE1 4.04Å
71V97.7Very high89.5Confident2 Ų253.9 Ų53.91%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-115.2127.6176.8-175.70000109.2A45 L59 V85 V86A45-V71 WeakPolarHBondContact O-CA 3.29Å; L59-V71 HydrophobicContact CB-CG1 4.14Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 HydrophobicContact CD1-CG1 4.1Å; V71-V85 HydrophobicContact CB-CG1 4.42Å; V71-V85 HydrophobicContact CB-CG2 4.17Å; V71-V85 HydrophobicContact CG1-CG1 4.11Å; V71-V85 HydrophobicContact CG1-CG2 4.27Å; V71-V86 PolarHBondContact O-N 3.04Å
72V98.3Very high89.5Confident2 Ų249.8 Ų49.81%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-112118.5170.6178.40000108A45 V46 D47 V74 V86 I88 I101 H104 F105A45-V72 PolarHBondContact O-N 2.89Å; V46-V72 CarbonylContact C-O 3.48Å; V46-V72 VanDerWaalsContact CA-O 3.28Å; V46-V72 WeakPolarHBondContact CA-O 3.4Å; D47-V72 PolarHBondContact N-O 3.36Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V72-V86 WeakPolarHBondContact CA-O 3.27Å; V72-V86 HydrophobicContact CG2-CB 4.28Å; V72-I88 HydrophobicContact CG1-CD1 3.51Å; V72-I88 HydrophobicContact CG1-CG1 4.19Å; V72-I101 HydrophobicContact CG1-CB 4.49Å; V72-I101 HydrophobicContact CG1-CG1 4.11Å; V72-I101 HydrophobicContact CG1-CG2 4.34Å; V72-H104 HydrophobicContact CG2-CB 3.81Å; V72-F105 HydrophobicContact CB-CE1 4.46Å; V72-F105 HydrophobicContact CB-CE2 4.47Å; V72-F105 HydrophobicContact CB-CZ 3.96Å; V72-F105 HydrophobicContact CG2-CD1 4.21Å; V72-F105 HydrophobicContact CG2-CE1 3.59Å; V72-F105 HydrophobicContact CG2-CE2 4.14Å; V72-F105 HydrophobicContact CG2-CZ 3.55Å
73A98.6Very high89.4Confident1 Ų150.6 Ų50.61%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-106.3135.4179.600000110.1D47 A50 S56 M79 V85 V86 Q87 I88D47-A73 HydrophobicContact CB-CB 4.4Å; D47-A73 CarbonylContact O-C 3.58Å; D47-A73 WeakPolarHBondContact O-CA 3.37Å; A50-A73 HydrophobicContact CB-CB 3.77Å; S56-A73 VanDerWaalsContact OG-CB 3.22Å; S56-A73 WeakPolarHBondContact OG-CB 3.47Å; A73-M79 HydrophobicContact CB-CE 3.52Å; A73-V85 HydrophobicContact CB-CG1 3.6Å; A73-V86 PolarHBondContact N-O 3.01Å; A73-Q87 WeakPolarHBondContact O-CA 3.39Å; A73-I88 PolarHBondContact O-N 3.02Å
74V98.7Very high89.4Confident0 Ų053.4 Ų53.40%036%0.359CS..EExtended strand (participates in β ladder)trans-127.9130.2-177.6-172.80000109.9D47 L48 C49 A50 V72 I88 I92 T97 I101D47-V74 PolarHBondContact O-N 3.15Å; L48-V74 CarbonylContact C-O 3.39Å; L48-V74 HydrophobicContact CD2-CB 4.08Å; L48-V74 HydrophobicContact CD2-CG2 4.1Å; C49-V74 WeakPolarHBondContact CA-O 3.45Å; C49-V74 PolarHBondContact N-O 2.68Å; A50-V74 PolarHBondContact N-O 3.48Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V74-I88 WeakPolarHBondContact CA-O 3.24Å; V74-I88 HydrophobicContact CG2-CB 4.23Å; V74-I88 HydrophobicContact CG2-CD1 4.26Å; V74-I92 HydrophobicContact CB-CG2 4.44Å; V74-I92 HydrophobicContact CG1-CG2 3.88Å; V74-T97 HydrophobicContact CG1-CG2 3.46Å; V74-T97 VanDerWaalsContact CG1-CG2 3.46Å; V74-T97 HydrophobicContact CG2-CG2 4.47Å; V74-I101 HydrophobicContact CG2-CD1 3.86Å; V74-I101 HydrophobicContact CG2-CG1 3.86Å
75D98Very high90.3Very high25 Ų2552.6 Ų52.613%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-153.1156.9171.8-156.2-73.2000111C49 A50 A51 Q77 I88 Q89 G90C49-D75 VanDerWaalsContact CA-OD2 3.27Å; C49-D75 WeakPolarHBondContact CA-OD2 3.48Å; A50-D75 PolarHBondContact N-OD2 2.9Å; A51-D75 HydrophobicContact CB-CB 4Å; A51-D75 VanDerWaalsContact CB-CG 3.42Å; A51-D75 VanDerWaalsContact CB-OD2 3.3Å; A51-D75 WeakPolarHBondContact CB-OD2 3.38Å; A51-D75 PolarHBondContact N-OD2 3.39Å; D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.46Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; D75-I88 PolarHBondContact N-O 3.32Å; D75-Q89 CarbonylContact O-C 3.53Å; D75-Q89 VanDerWaalsContact O-CA 3.23Å; D75-Q89 WeakPolarHBondContact O-CA 3.48Å; D75-G90 CarbonylContact C-O 3.41Å; D75-G90 VanDerWaalsContact C-O 3.31Å; D75-G90 PolarHBondContact O-N 2.86Å
76L95.9Very high91.4Very high112 Ų11251.9 Ų51.959%0.58633%0.329SS*.SBendtrans-68.3-32.8168.6-71.5173.9000111.5Q89 D91L76-Q89 WeakPolarHBondContact O-CG 3.35Å; L76-Q89 PolarHBondContact O-NE2 3.23Å; L76-D91 HydrophobicContact CD2-CB 3.6Å
77Q93.7Very high92.6Very high116 Ų11649.6 Ų49.654%0.54232%0.319SS..SBendtrans-86.1144.6-179.8-59.3-171.2-16.500111.4A51 D75 M79A51-Q77 HydrophobicContact CB-CB 4.09Å; D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.46Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; Q77-M79 PolarHBondContact O-N 3.19Å
78A94.1Very high94.2Very high43 Ų4346.6 Ų46.636%0.35529%0.286SS..  trans-63.1137.2170.400000110.5I270A78-I270 HydrophobicContact CB-CD1 4.31Å
79M94.4Very high95.4Very high24 Ų2449.5 Ų49.512%0.11829%0.291CS..  trans-114.2146.4177.1-177.4165.972.100110.3A50 P52 G53 A73 Q77 L82 V85 Q87 I270A50-M79 HydrophobicContact CB-SD 4.44Å; P52-M79 VanDerWaalsContact C-SD 3.56Å; G53-M79 WeakPolarHBondContact CA-SD 3.29Å; G53-M79 PolarHBondContact N-SD 3.46Å; G53-M79 VanDerWaalsContact N-SD 3.38Å; A73-M79 HydrophobicContact CB-CE 3.52Å; Q77-M79 PolarHBondContact O-N 3.19Å; M79-L82 HydrophobicContact CE-CD1 4.23Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; M79-V85 HydrophobicContact CE-CG1 4.4Å; M79-Q87 HydrophobicContact CE-CB 4.33Å; M79-Q87 HydrophobicContact CE-CG 3.54Å; M79-Q87 PolarHBondContact O-OE1 2.96Å; M79-I270 VanDerWaalsContact C-CD1 3.41Å
80A95.2Very high96.1Very high11 Ų1149.2 Ų49.29%0.09129%0.288CS..  trans-70.8142.1175.900000109.7R22 L82 Q87 Q267 I270R22-A80 PolarHBondContact NH1-O 3.37Å; R22-A80 PolarHBondContact NH2-O 2.97Å; A80-L82 PolarHBondContact O-N 3.3Å; A80-Q87 PolarHBondContact O-NE2 3.22Å; A80-Q87 VanDerWaalsContact O-NE2 3.08Å; A80-Q87 PolarHBondContact O-OE1 2.94Å; A80-Q267 HydrophobicContact CB-CG 3.78Å; A80-I270 HydrophobicContact CB-CD1 4.17Å; A80-I270 VanDerWaalsContact N-CD1 3.35Å
81P95.9Very high96.2Very high116 Ų11646.8 Ų46.875%0.75328%0.278SS*.  trans-49.1138.1-179.5-3035.8000113.2R22 Q87R22-P81 PolarHBondContact NH2-O 2.93Å; P81-Q87 VanDerWaalsContact CA-NE2 3.3Å
82L94.2Very high96.1Very high18 Ų1847.1 Ų47.19%0.09428%0.28CS..  trans-127.7125.9179-86.2171.3000108.5R22 G53 Q57 M79 A80 G84 V85R22-L82 VanDerWaalsContact NH2-CD2 3.28Å; R22-L82 VanDerWaalsContact NH2-CG 3.3Å; G53-L82 WeakPolarHBondContact O-CD1 3.38Å; Q57-L82 HydrophobicContact CB-CD1 4.47Å; Q57-L82 HydrophobicContact CB-CD2 4.3Å; Q57-L82 HydrophobicContact CG-CD2 4.35Å; M79-L82 HydrophobicContact CE-CD1 4.23Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; A80-L82 PolarHBondContact O-N 3.3Å; L82-G84 PolarHBondContact O-N 2.97Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.36Å; L82-V85 PolarHBondContact O-N 2.79Å; L82-V85 VanDerWaalsContact O-N 3.16Å
83P92.2Very high95.9Very high112 Ų11250.3 Ų50.373%0.72730%0.3SS*.THydrogen-bonded Turntrans-56.6133.3175.1-25.134.6000111.6V85P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.22Å
84G92.4Very high95.7Very high60 Ų6054.7 Ų54.762%0.61932%0.32SS*.THydrogen-bonded Turntrans748.8179.800000115.3L82L82-G84 PolarHBondContact O-N 2.97Å
85V96.8Very high95.4Very high16 Ų1658.1 Ų58.110%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-121.2120.1179.5-176.30000109.9V71 A73 M79 L82 P83 Q87V71-V85 HydrophobicContact CB-CG1 4.42Å; V71-V85 HydrophobicContact CB-CG2 4.17Å; V71-V85 HydrophobicContact CG1-CG1 4.11Å; V71-V85 HydrophobicContact CG1-CG2 4.27Å; A73-V85 HydrophobicContact CB-CG1 3.6Å; M79-V85 HydrophobicContact CE-CG1 4.4Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.36Å; L82-V85 PolarHBondContact O-N 2.79Å; L82-V85 VanDerWaalsContact O-N 3.16Å; P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.22Å; V85-Q87 HydrophobicContact CG1-CG 4.17Å
86V97.3Very high95.4Very high56 Ų5660.4 Ų60.434%0.33936%0.356SS..EExtended strand (participates in β ladder)trans-77.5135165.4173.90000108.2V71 V72 A73 H104V71-V86 PolarHBondContact O-N 3.04Å; V72-V86 WeakPolarHBondContact CA-O 3.27Å; V72-V86 HydrophobicContact CG2-CB 4.28Å; A73-V86 PolarHBondContact N-O 3.01Å; V86-H104 HydrophobicContact CG1-CB 4.49Å; V86-H104 VanDerWaalsContact CG1-CE1 3.43Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.24Å; V86-H104 WeakPolarHBondContact CG1-ND1 3.14Å
87Q98Very high95.4Very high59 Ų5955.3 Ų55.328%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-120.1123.1-176.5-53.8-178.418.100109.4A73 M79 A80 P81 V85A73-Q87 WeakPolarHBondContact O-CA 3.39Å; M79-Q87 HydrophobicContact CE-CB 4.33Å; M79-Q87 HydrophobicContact CE-CG 3.54Å; M79-Q87 PolarHBondContact O-OE1 2.96Å; A80-Q87 PolarHBondContact O-NE2 3.22Å; A80-Q87 VanDerWaalsContact O-NE2 3.08Å; A80-Q87 PolarHBondContact O-OE1 2.94Å; P81-Q87 VanDerWaalsContact CA-NE2 3.3Å; V85-Q87 HydrophobicContact CG1-CG 4.17Å
88I98.3Very high95.5Very high6 Ų649.8 Ų49.83%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-109.7123.7175.3-59.6169.4000106.9V72 A73 V74 D75 G90 E100 I101V72-I88 HydrophobicContact CG1-CD1 3.51Å; V72-I88 HydrophobicContact CG1-CG1 4.19Å; A73-I88 PolarHBondContact O-N 3.02Å; V74-I88 WeakPolarHBondContact CA-O 3.24Å; V74-I88 HydrophobicContact CG2-CB 4.23Å; V74-I88 HydrophobicContact CG2-CD1 4.26Å; D75-I88 PolarHBondContact N-O 3.32Å; I88-G90 PolarHBondContact O-N 3.24Å; I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.74Å; I88-E100 HydrophobicContact CG1-CG 4.14Å; I88-E100 VanDerWaalsContact CG2-CD 3.48Å; I88-E100 HydrophobicContact CG2-CG 4.36Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.45Å; I88-I101 HydrophobicContact CD1-CG1 3.93Å
89Q97.9Very high95.6Very high139 Ų13953.9 Ų53.965%0.6531%0.314SS*.EExtended strand (participates in β ladder)trans-8799.3167.1-169179.1-12.100108.1D75 L76D75-Q89 CarbonylContact O-C 3.53Å; D75-Q89 VanDerWaalsContact O-CA 3.23Å; D75-Q89 WeakPolarHBondContact O-CA 3.48Å; L76-Q89 WeakPolarHBondContact O-CG 3.35Å; L76-Q89 PolarHBondContact O-NE2 3.23Å
90G97.5Very high95.8Very high12 Ų1256.4 Ų56.412%0.12433%0.325CS..  trans-153.7154.8-168.400000113.3D75 I88D75-G90 CarbonylContact C-O 3.41Å; D75-G90 VanDerWaalsContact C-O 3.31Å; D75-G90 PolarHBondContact O-N 2.86Å; I88-G90 PolarHBondContact O-N 3.24Å
91D96.3Very high95.9Very high52 Ų5255.9 Ų55.928%0.27832%0.321SS..  trans-90.8120.3175.8-177.3-15.4000109.4L76 T93 Q94 T97L76-D91 HydrophobicContact CD2-CB 3.6Å; D91-T93 PolarHBondContact O-N 3.33Å; D91-T93 VanDerWaalsContact O-N 3.17Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.25Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 3.01Å; D91-Q94 HydrophobicContact CB-CB 4.48Å; D91-Q94 HydrophobicContact CB-CG 3.72Å; D91-Q94 WeakPolarHBondContact O-CB 3.29Å; D91-Q94 PolarHBondContact O-N 2.87Å; D91-T97 PolarHBondContact N-OG1 3.01Å; D91-T97 VanDerWaalsContact O-CB 3.25Å; D91-T97 WeakPolarHBondContact O-CB 3.45Å; D91-T97 PolarHBondContact O-OG1 2.63Å
92I95.5Very high96Very high9 Ų953 Ų535%0.04630%0.299CS..THydrogen-bonded Turntrans-69.5-8.4-178.565.3164.6000113.5L48 V74 Q94 L135 A138 A139 I142L48-I92 HydrophobicContact CB-CG2 4.37Å; L48-I92 HydrophobicContact CD2-CG2 3.98Å; V74-I92 HydrophobicContact CB-CG2 4.44Å; V74-I92 HydrophobicContact CG1-CG2 3.88Å; I92-Q94 VanDerWaalsContact C-N 3.27Å; I92-L135 HydrophobicContact CD1-CD1 3.89Å; I92-A138 HydrophobicContact CD1-CB 4.08Å; I92-A138 HydrophobicContact CG1-CB 4.14Å; I92-A139 HydrophobicContact CD1-CB 4.19Å; I92-I142 HydrophobicContact CB-CG1 4.12Å; I92-I142 VanDerWaalsContact O-CD1 3.31Å; I92-I142 WeakPolarHBondContact O-CD1 3.46Å; I92-I142 WeakPolarHBondContact O-CG1 3.38Å
93T93.1Very high96.2Very high69 Ų6959.2 Ų59.242%0.42333%0.327SS..THydrogen-bonded Turntrans-81-8.7170.769.40000112.7D91 A138D91-T93 PolarHBondContact O-N 3.33Å; D91-T93 VanDerWaalsContact O-N 3.17Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.25Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 3.01Å; T93-A138 HydrophobicContact CG2-CB 3.96Å
94Q94.2Very high96.4Very high93 Ų9357.7 Ų57.744%0.43531%0.31SS..SBendtrans-102.3135-173.6-57.7-61.8-38.500112.5D91 I92 S96 T97D91-Q94 HydrophobicContact CB-CB 4.48Å; D91-Q94 HydrophobicContact CB-CG 3.72Å; D91-Q94 WeakPolarHBondContact O-CB 3.29Å; D91-Q94 PolarHBondContact O-N 2.87Å; I92-Q94 VanDerWaalsContact C-N 3.27Å; Q94-S96 PolarHBondContact O-N 3.27Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.09Å
95L93.1Very high96.5Very high72 Ų7255.4 Ų55.438%0.37728%0.283SS..Hα-helixtrans-62.9-27.6175.5178.764.9000113.1T97 A98 K99 L209L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.9Å; L95-A98 HydrophobicContact CD1-CB 4.42Å; L95-A98 PolarHBondContact O-N 3.36Å; L95-K99 HydrophobicContact CG-CD 4.31Å; L95-K99 WeakPolarHBondContact O-CG 3.44Å; L95-K99 PolarHBondContact O-N 3.13Å; L95-L209 VanDerWaalsContact CA-CD1 3.47Å; L95-L209 HydrophobicContact CB-CD1 3.76Å; L95-L209 HydrophobicContact CD1-CD1 3.7Å; L95-L209 HydrophobicContact CG-CD1 4.33Å
96S96.4Very high96.4Very high74 Ų7463.7 Ų63.752%0.51732%0.318SS..Hα-helixtrans-58.6-40.5173.550.20000111.7Q94 K99 E100Q94-S96 PolarHBondContact O-N 3.27Å; S96-K99 PolarHBondContact O-N 2.86Å; S96-E100 PolarHBondContact O-N 2.94Å
97T97.1Very high96.2Very high4 Ų463.5 Ų63.53%0.02533%0.328CS..Hα-helixtrans-65.3-44.4179.2-53.60000111V74 D91 Q94 L95 K99 E100 I101V74-T97 HydrophobicContact CG1-CG2 3.46Å; V74-T97 VanDerWaalsContact CG1-CG2 3.46Å; V74-T97 HydrophobicContact CG2-CG2 4.47Å; D91-T97 PolarHBondContact N-OG1 3.01Å; D91-T97 VanDerWaalsContact O-CB 3.25Å; D91-T97 WeakPolarHBondContact O-CB 3.45Å; D91-T97 PolarHBondContact O-OG1 2.63Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.09Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.9Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 3.26Å; T97-E100 PolarHBondContact O-N 3.37Å; T97-I101 HydrophobicContact CG2-CD1 4.43Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.28Å; T97-I101 PolarHBondContact O-N 2.94Å
98A96Very high96.1Very high1 Ų163.8 Ų63.81%0.00834%0.335CS..Hα-helixtrans-57.6-46173.500000111.9L95 E100 I101 I102 I142 H145 L209L95-A98 HydrophobicContact CD1-CB 4.42Å; L95-A98 PolarHBondContact O-N 3.36Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 3.28Å; A98-I101 PolarHBondContact O-N 3.47Å; A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.44Å; A98-I102 PolarHBondContact O-N 2.83Å; A98-I102 VanDerWaalsContact O-N 3.09Å; A98-I142 HydrophobicContact CB-CD1 3.69Å; A98-H145 HydrophobicContact CB-CB 4.22Å; A98-L209 HydrophobicContact CB-CD1 4.35Å
99K96.6Very high96Very high129 Ų12966.3 Ų66.356%0.56135%0.352SS*.Hα-helixtrans-62.4-40.4178.7-72.5173.1176.5175.20112.3L95 S96 T97 I102 Q103L95-K99 HydrophobicContact CG-CD 4.31Å; L95-K99 WeakPolarHBondContact O-CG 3.44Å; L95-K99 PolarHBondContact O-N 3.13Å; S96-K99 PolarHBondContact O-N 2.86Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 3.26Å; K99-I102 PolarHBondContact O-N 3.17Å; K99-Q103 WeakPolarHBondContact O-CB 3.27Å; K99-Q103 PolarHBondContact O-N 3.05Å
100E98.2Very high96.1Very high76 Ų7659.7 Ų59.736%0.35532%0.321SS..Hα-helixtrans-66.2-41.3178.4-166.2175.716600111.8I88 S96 T97 A98 I102 Q103 H104I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.74Å; I88-E100 HydrophobicContact CG1-CG 4.14Å; I88-E100 VanDerWaalsContact CG2-CD 3.48Å; I88-E100 HydrophobicContact CG2-CG 4.36Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.45Å; S96-E100 PolarHBondContact O-N 2.94Å; T97-E100 PolarHBondContact O-N 3.37Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 3.28Å; E100-I102 PolarHBondContact O-N 2.83Å; E100-Q103 WeakPolarHBondContact O-CB 3.46Å; E100-Q103 PolarHBondContact O-N 3.42Å; E100-H104 PolarHBondContact O-CD2 3.09Å; E100-H104 VanDerWaalsContact O-CD2 3.28Å; E100-H104 PolarHBondContact O-N 3.09Å
101I98Very high96.1Very high0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-57.6-49.8172.7-63.2161.9000110.5V46 L48 V72 V74 I88 T97 A98 Q103 H104 F105 I142 V146V46-I101 HydrophobicContact CG1-CD1 4.17Å; V46-I101 HydrophobicContact CG1-CG2 4.42Å; V46-I101 HydrophobicContact CG2-CG2 3.71Å; L48-I101 HydrophobicContact CD2-CD1 4.28Å; V72-I101 HydrophobicContact CG1-CB 4.49Å; V72-I101 HydrophobicContact CG1-CG1 4.11Å; V72-I101 HydrophobicContact CG1-CG2 4.34Å; V74-I101 HydrophobicContact CG2-CD1 3.86Å; V74-I101 HydrophobicContact CG2-CG1 3.86Å; I88-I101 HydrophobicContact CD1-CG1 3.93Å; T97-I101 HydrophobicContact CG2-CD1 4.43Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.28Å; T97-I101 PolarHBondContact O-N 2.94Å; A98-I101 PolarHBondContact O-N 3.47Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.47Å; I101-H104 PolarHBondContact O-N 3.46Å; I101-F105 HydrophobicContact CG2-CD2 4Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 PolarHBondContact O-N 3.36Å; I101-I142 HydrophobicContact CD1-CG2 3.76Å; I101-V146 HydrophobicContact CB-CG1 4.31Å; I101-V146 HydrophobicContact CG2-CB 4.41Å; I101-V146 HydrophobicContact CG2-CG1 3.96Å
102I96.9Very high96.2Very high57 Ų5757 Ų5729%0.29230%0.304SS..Hα-helixtrans-60-40.6179.7-66.1165.7000110.8A98 K99 E100 H104 F105 K106 G107 V146A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.44Å; A98-I102 PolarHBondContact O-N 2.83Å; A98-I102 VanDerWaalsContact O-N 3.09Å; K99-I102 PolarHBondContact O-N 3.17Å; E100-I102 PolarHBondContact O-N 2.83Å; I102-H104 PolarHBondContact O-N 2.92Å; I102-F105 CarbonylContact O-C 3.56Å; I102-F105 PolarHBondContact O-N 2.92Å; I102-K106 PolarHBondContact O-N 2.69Å; I102-K106 VanDerWaalsContact O-N 3.14Å; I102-G107 PolarHBondContact O-N 3.37Å; I102-V146 HydrophobicContact CD1-CG1 4.45Å; I102-V146 HydrophobicContact CG1-CG1 3.97Å
103Q97.5Very high96.4Very high148 Ų14856.6 Ų56.669%0.69230%0.302SS*.Hα-helixtrans-61.5-42.7177.4-177.4177.9-1.300111.8K99 E100 I101 F105 K106K99-Q103 WeakPolarHBondContact O-CB 3.27Å; K99-Q103 PolarHBondContact O-N 3.05Å; E100-Q103 WeakPolarHBondContact O-CB 3.46Å; E100-Q103 PolarHBondContact O-N 3.42Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.47Å; Q103-F105 VanDerWaalsContact C-N 3.27Å; Q103-F105 PolarHBondContact O-N 2.69Å; Q103-K106 WeakPolarHBondContact O-CA 3.3Å; Q103-K106 PolarHBondContact O-N 2.94Å
104H96.6Very high96.6Very high79 Ų7953.3 Ų53.337%0.36628%0.281SS..Hα-helixtrans-65.9-29.2177.3-82.6-67.3000113.5V72 V86 E100 I101 I102 K106V72-H104 HydrophobicContact CG2-CB 3.81Å; V86-H104 HydrophobicContact CG1-CB 4.49Å; V86-H104 VanDerWaalsContact CG1-CE1 3.43Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.24Å; V86-H104 WeakPolarHBondContact CG1-ND1 3.14Å; E100-H104 PolarHBondContact O-CD2 3.09Å; E100-H104 VanDerWaalsContact O-CD2 3.28Å; E100-H104 PolarHBondContact O-N 3.09Å; I101-H104 PolarHBondContact O-N 3.46Å; I102-H104 PolarHBondContact O-N 2.92Å; H104-K106 VanDerWaalsContact C-N 3.27Å
105F95.7Very high96.8Very high12 Ų1249 Ų495%0.05326%0.262CS..THydrogen-bonded Turntrans-86.38.6169.5-62.5-45.5000114.3R44 V46 H70 V72 I101 I102 Q103 G107 C108 A110R44-F105 HydrophobicContact CB-CD1 4.03Å; R44-F105 HydrophobicContact CB-CE1 3.77Å; R44-F105 HydrophobicContact CB-CZ 4.07Å; R44-F105 HydrophobicContact CG-CD1 3.79Å; R44-F105 HydrophobicContact CG-CE1 3.95Å; R44-F105 HydrophobicContact CG-CG 4.44Å; V46-F105 HydrophobicContact CG2-CE2 3.47Å; V46-F105 VanDerWaalsContact CG2-CE2 3.47Å; V46-F105 HydrophobicContact CG2-CZ 3.84Å; H70-F105 HydrophobicContact CB-CD1 4.36Å; H70-F105 HydrophobicContact CB-CE1 4.04Å; V72-F105 HydrophobicContact CB-CE1 4.46Å; V72-F105 HydrophobicContact CB-CE2 4.47Å; V72-F105 HydrophobicContact CB-CZ 3.96Å; V72-F105 HydrophobicContact CG2-CD1 4.21Å; V72-F105 HydrophobicContact CG2-CE1 3.59Å; V72-F105 HydrophobicContact CG2-CE2 4.14Å; V72-F105 HydrophobicContact CG2-CZ 3.55Å; I101-F105 HydrophobicContact CG2-CD2 4Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 PolarHBondContact O-N 3.36Å; I102-F105 CarbonylContact O-C 3.56Å; I102-F105 PolarHBondContact O-N 2.92Å; Q103-F105 VanDerWaalsContact C-N 3.27Å; Q103-F105 PolarHBondContact O-N 2.69Å; F105-G107 PolarHBondContact O-N 2.81Å; F105-C108 WeakPolarHBondContact CB-O 3.38Å; F105-C108 WeakPolarHBondContact O-CB 3.2Å; F105-C108 PolarHBondContact O-N 3.28Å; F105-A110 HydrophobicContact CE2-CB 3.96Å
106K94.5Very high97.1Very high190 Ų19046.8 Ų46.883%0.82625%0.25SS*.THydrogen-bonded Turntrans55.535.7179.9-53.4175.8-178174.80112.5I102 Q103 H104 C108I102-K106 PolarHBondContact O-N 2.69Å; I102-K106 VanDerWaalsContact O-N 3.14Å; Q103-K106 WeakPolarHBondContact O-CA 3.3Å; Q103-K106 PolarHBondContact O-N 2.94Å; H104-K106 VanDerWaalsContact C-N 3.27Å; K106-C108 VanDerWaalsContact C-N 3.29Å; K106-C108 PolarHBondContact O-N 3.09Å
107G92.4Very high97Very high53 Ų5343.6 Ų43.655%0.54623%0.229SC..THydrogen-bonded Turntrans83.7-7.6-177.600000115.1I102 F105I102-G107 PolarHBondContact O-N 3.37Å; F105-G107 PolarHBondContact O-N 2.81Å
108C96.1Very high96.8Very high65 Ų6545.7 Ų45.744%0.43925%0.247SC..PPolyproline II helixtrans-76.2136.8176.2-66.10000110.9F105 K106F105-C108 WeakPolarHBondContact CB-O 3.38Å; F105-C108 WeakPolarHBondContact O-CB 3.2Å; F105-C108 PolarHBondContact O-N 3.28Å; K106-C108 VanDerWaalsContact C-N 3.29Å; K106-C108 PolarHBondContact O-N 3.09Å
109P97.3Very high96.6Very high58 Ų5846.9 Ų46.938%0.37726%0.255SS..PPolyproline II helixtrans-73.1148.4178.530.6-36.1000112.1R44 V146 K148R44-P109 VanDerWaalsContact CZ-O 3.23Å; R44-P109 PolarHBondContact NE-O 3.19Å; R44-P109 PolarHBondContact NH2-O 3.11Å; P109-V146 CarbonylContact C-O 3.55Å; P109-V146 VanDerWaalsContact CA-O 3.27Å; P109-V146 WeakPolarHBondContact CA-O 3.48Å; P109-V146 WeakPolarHBondContact CB-O 3.35Å; P109-K148 HydrophobicContact CB-CB 3.81Å; P109-K148 HydrophobicContact CG-CB 3.68Å
110A98.2Very high96.2Very high0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-67.9150.1173.800000112.2V46 F105 V113 V146 K148V46-A110 HydrophobicContact CG2-CB 3.9Å; F105-A110 HydrophobicContact CE2-CB 3.96Å; A110-V113 HydrophobicContact CB-CG2 4.5Å; A110-V146 HydrophobicContact CB-CG2 4.43Å; A110-V146 PolarHBondContact N-O 2.78Å; A110-K148 WeakPolarHBondContact O-CG 3.3Å; A110-K148 PolarHBondContact O-N 2.96Å
111D98.1Very high95.6Very high8 Ų849.8 Ų49.84%0.04328%0.282CS..EExtended strand (participates in β ladder)trans-89.1-30.8174.5-49.8-65.6000111.5V42 T43 R44 K148 G151 C152V42-D111 HydrophobicContact CB-CB 4.34Å; V42-D111 HydrophobicContact CG1-CB 4.15Å; V42-D111 HydrophobicContact CG2-CB 4.17Å; T43-D111 WeakPolarHBondContact CA-OD2 3.5Å; T43-D111 PolarHBondContact N-OD2 2.8Å; T43-D111 PolarHBondContact OG1-OD2 2.9Å; R44-D111 IonicContact CZ-OD2 2.69Å; R44-D111 PolarHBondContact N-OD2 2.8Å; R44-D111 IonicContact NH2-OD1 3.58Å; R44-D111 PolarHBondContact NH2-OD1 3.32Å; R44-D111 VanDerWaalsContact NH2-OD1 3.14Å; R44-D111 IonicContact NH2-OD2 3.89Å; R44-D111 PolarHBondContact O-N 3.02Å; D111-K148 VanDerWaalsContact OD1-CD 3.24Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.2Å; D111-K148 IonicContact OD1-NZ 3.74Å; D111-K148 PolarHBondContact OD1-NZ 3.41Å; D111-G151 WeakPolarHBondContact O-CA 3.46Å; D111-C152 PolarHBondContact O-N 2.85Å
112L98.7Very high95.2Very high0 Ų053.8 Ų53.80%031%0.307CS..EExtended strand (participates in β ladder)trans-141.5132.5-175.6174.965.3000110.6F39 V42 R44 A45 V46 L59 V114 C152 V154F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.07Å; V42-L112 HydrophobicContact CG1-CB 3.91Å; V42-L112 HydrophobicContact CG1-CD2 4.45Å; V42-L112 HydrophobicContact CG2-CB 3.98Å; V42-L112 HydrophobicContact CG2-CD2 4.45Å; R44-L112 PolarHBondContact O-N 2.87Å; A45-L112 CarbonylContact C-O 3.51Å; A45-L112 VanDerWaalsContact CA-O 3.26Å; A45-L112 WeakPolarHBondContact CA-O 3.33Å; A45-L112 HydrophobicContact CB-CB 4.41Å; V46-L112 PolarHBondContact N-O 3.41Å; L59-L112 HydrophobicContact CD2-CD2 3.95Å; L112-V114 HydrophobicContact CD1-CG1 3.83Å; L112-V114 HydrophobicContact CD2-CG1 3.91Å; L112-V114 HydrophobicContact CG-CG1 3.75Å; L112-C152 WeakPolarHBondContact CA-O 3.31Å; L112-C152 HydrophobicContact CD1-CB 3.67Å; L112-V154 HydrophobicContact CD1-CG2 4.48Å
113V98.8Very high94.8Very high0 Ų053.5 Ų53.50%032%0.317CS..EExtended strand (participates in β ladder)trans-118.6129.9168.2176.50000108.4V46 L48 A110 A143 V146 L147 C152 F153 V154V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.03Å; V46-V113 HydrophobicContact CG2-CG2 4.28Å; V46-V113 CarbonylContact O-C 3.57Å; V46-V113 WeakPolarHBondContact O-CA 3.38Å; L48-V113 HydrophobicContact CD1-CG1 3.69Å; L48-V113 HydrophobicContact CG-CG1 4.06Å; A110-V113 HydrophobicContact CB-CG2 4.5Å; V113-A143 HydrophobicContact CB-CB 4.23Å; V113-A143 HydrophobicContact CG1-CB 4.11Å; V113-A143 HydrophobicContact CG2-CB 4.24Å; V113-V146 HydrophobicContact CG2-CG2 3.61Å; V113-L147 HydrophobicContact CB-CD2 4.23Å; V113-L147 HydrophobicContact CB-CG 4.4Å; V113-L147 HydrophobicContact CG2-CD1 4.32Å; V113-L147 HydrophobicContact CG2-CD2 3.57Å; V113-L147 HydrophobicContact CG2-CG 3.67Å; V113-C152 PolarHBondContact N-O 3.04Å; V113-F153 HydrophobicContact CB-CD2 3.98Å; V113-F153 HydrophobicContact CG1-CD2 3.81Å; V113-F153 HydrophobicContact CG1-CE2 4.03Å; V113-F153 CarbonylContact O-C 3.59Å; V113-F153 VanDerWaalsContact O-CA 3.31Å; V113-F153 WeakPolarHBondContact O-CA 3.23Å; V113-V154 PolarHBondContact O-N 2.92Å
114V98.9Very high94.5Very high0 Ų051.8 Ų51.80%031%0.313CS..EExtended strand (participates in β ladder)trans-125.3149.6178.9-58.20000111.5L29 V46 D47 L48 W55 L59 L112 V154L29-V114 HydrophobicContact CD1-CG1 4.35Å; V46-V114 WeakPolarHBondContact O-CG2 3.39Å; V46-V114 PolarHBondContact O-N 3.49Å; D47-V114 HydrophobicContact CB-CG2 4.1Å; L48-V114 PolarHBondContact N-O 3.03Å; W55-V114 HydrophobicContact CE3-CB 3.64Å; W55-V114 HydrophobicContact CE3-CG2 3.64Å; W55-V114 HydrophobicContact CZ3-CB 3.68Å; W55-V114 HydrophobicContact CZ3-CG1 4.47Å; W55-V114 HydrophobicContact CZ3-CG2 4.22Å; L59-V114 HydrophobicContact CD1-CG2 3.78Å; L112-V114 HydrophobicContact CD1-CG1 3.83Å; L112-V114 HydrophobicContact CD2-CG1 3.91Å; L112-V114 HydrophobicContact CG-CG1 3.75Å; V114-V154 CarbonylContact C-O 3.53Å; V114-V154 WeakPolarHBondContact CA-O 3.33Å; V114-V154 HydrophobicContact CG1-CB 4.26Å
115C98.6Very high94.2Very high4 Ų454.3 Ų54.33%0.02732%0.324CS..EExtended strand (participates in β ladder)trans-150107.1179.2-173.80000112.2L48 G117 A139 V154 A155 K156L48-C115 HydrophobicContact CB-CB 4.05Å; L48-C115 WeakPolarHBondContact O-CA 3.17Å; C115-G117 VanDerWaalsContact C-N 3.33Å; C115-A139 HydrophobicContact CB-CB 4.15Å; C115-V154 PolarHBondContact N-O 2.82Å; C115-A155 HydrophobicContact CB-CB 4.01Å; C115-A155 CarbonylContact O-C 3.58Å; C115-A155 VanDerWaalsContact O-CA 3.3Å; C115-A155 WeakPolarHBondContact O-CA 3.23Å; C115-K156 PolarHBondContact O-N 2.83Å
116D97.9Very high93.9Very high25 Ų2560.1 Ų60.113%0.13436%0.356CS..  trans-97.220171.1-168.131.7000111.8S25 K28 W55 K156 F193S25-D116 WeakPolarHBondContact CB-OD2 3.48Å; K28-D116 IonicContact NZ-OD1 3.87Å; K28-D116 PolarHBondContact NZ-OD1 2.83Å; K28-D116 IonicContact NZ-OD2 3.76Å; W55-D116 HydrophobicContact CD2-CB 3.82Å; W55-D116 HydrophobicContact CE3-CB 3.99Å; W55-D116 HydrophobicContact CH2-CB 4Å; W55-D116 HydrophobicContact CZ2-CB 3.76Å; W55-D116 HydrophobicContact CZ3-CB 4.06Å; D116-K156 WeakPolarHBondContact O-CE 3.31Å; D116-K156 PolarHBondContact O-NZ 2.85Å; D116-K156 WeakPolarHBondContact OD1-CE 3.45Å; D116-K156 IonicContact OD1-NZ 3.14Å; D116-K156 PolarHBondContact OD1-NZ 2.75Å; D116-K156 VanDerWaalsContact OD1-NZ 3.08Å; D116-F193 HydrophobicContact CB-CE1 4.49Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.42Å; D116-F193 VanDerWaalsContact OD1-CZ 3.27Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.46Å
117G94.9Very high93.8Very high6 Ų654.2 Ų54.26%0.06234%0.336CS..  trans-64145.6179.400000113.1C115 Q132 L135C115-G117 VanDerWaalsContact C-N 3.33Å; G117-Q132 PolarHBondContact O-NE2 3.25Å; G117-Q132 VanDerWaalsContact O-NE2 3.11Å; G117-L135 VanDerWaalsContact C-CD2 3.42Å
118A92.9Very high93.8Very high49 Ų4952.1 Ų52.141%0.40531%0.312SS..  trans-143.1146.9168.900000109.7Q132 K156A118-Q132 VanDerWaalsContact CA-OE1 3.3Å; A118-K156 HydrophobicContact CB-CD 4.1Å
119P91.2Very high93.6Very high26 Ų2651.3 Ų51.317%0.16930%0.302CS..PPolyproline II helixtrans-68.1165.217232.5-35.5000110.7V121 M131P119-V121 PolarHBondContact O-N 2.85Å; P119-M131 HydrophobicContact CB-CB 3.86Å; P119-M131 HydrophobicContact CG-CB 3.74Å
120D88.9Confident93.3Very high159 Ų15955.3 Ų55.385%0.8531%0.31SS*.PPolyproline II helixtrans-62.2118.6167.2-73.4-39.9000109.4T122D120-T122 PolarHBondContact O-N 3.01Å
121V85.7Confident93.1Very high106 Ų10659.6 Ų59.664%0.64233%0.331SS*.PPolyproline II helixtrans-69.9119.3-177.2179.20000109.4P119 D128P119-V121 PolarHBondContact O-N 2.85Å; V121-D128 VanDerWaalsContact CG1-OD2 3.31Å; V121-D128 WeakPolarHBondContact CG1-OD2 3.03Å
122T89.5Confident93Very high85 Ų8559.4 Ų59.452%0.52133%0.33SS..  trans-83.7-22.3179.166.70000112.2D120 L124 D128D120-T122 PolarHBondContact O-N 3.01Å; T122-L124 VanDerWaalsContact C-N 3.28Å; T122-L124 PolarHBondContact OG1-N 2.63Å; T122-L124 VanDerWaalsContact OG1-N 3.15Å; T122-D128 WeakPolarHBondContact CB-OD1 3.25Å; T122-D128 PolarHBondContact N-OD1 3.29Å; T122-D128 PolarHBondContact N-OD2 3.43Å; T122-D128 PolarHBondContact OG1-OD1 2.74Å
123G88.4Confident92.7Very high50 Ų5060 Ų6052%0.51534%0.335SS..SBendtrans86.9-2-171.800000113.1D128G123-D128 PolarHBondContact N-OD2 2.79Å
124L92.1Very high92.4Very high113 Ų11362.8 Ų62.859%0.59235%0.348SS*.  trans-96.299.7170.9-59.2177.5000108.1T122 D126 V127 D128T122-L124 VanDerWaalsContact C-N 3.28Å; T122-L124 PolarHBondContact OG1-N 2.63Å; T122-L124 VanDerWaalsContact OG1-N 3.15Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.81Å; L124-V127 HydrophobicContact CB-CB 4.12Å; L124-V127 HydrophobicContact CB-CG2 4.02Å; L124-V127 HydrophobicContact CD1-CG2 4.31Å; L124-V127 PolarHBondContact O-N 2.84Å; L124-D128 PolarHBondContact O-N 2.77Å
125H89.1Confident92.1Very high132 Ų13264.6 Ų64.661%0.61136%0.358SS*.Hα-helixtrans-51.4-47.4-171-66.4-58.2000113.6V127 D128 E129H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.39Å; H125-D128 PolarHBondContact O-N 3.18Å; H125-E129 WeakPolarHBondContact O-CB 3.49Å; H125-E129 VanDerWaalsContact O-CG 3.29Å; H125-E129 WeakPolarHBondContact O-CG 3.36Å; H125-E129 PolarHBondContact O-N 3.18Å
126D90.1Very high92Very high134 Ų13464.6 Ų64.672%0.71736%0.357SS*.Hα-helixtrans-61-38.3-179.6-59.3-17.3000112.6L124 Y130L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.81Å; D126-Y130 WeakPolarHBondContact O-CB 3.14Å; D126-Y130 PolarHBondContact O-N 2.94Å; D126-Y130 VanDerWaalsContact O-N 3.11Å
127V91.7Very high91.7Very high66 Ų6664 Ų6440%0.435%0.354SS..Hα-helixtrans-72.4-43.9178.2179.80000110.3L124 H125 E129 Y130 M131L124-V127 HydrophobicContact CB-CB 4.12Å; L124-V127 HydrophobicContact CB-CG2 4.02Å; L124-V127 HydrophobicContact CD1-CG2 4.31Å; L124-V127 PolarHBondContact O-N 2.84Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.39Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.44Å; V127-Y130 PolarHBondContact O-N 3.39Å; V127-M131 HydrophobicContact CG1-CG 4.28Å; V127-M131 WeakPolarHBondContact O-CB 3.24Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.25Å; V127-M131 PolarHBondContact O-N 2.86Å
128D92.7Very high91.7Very high8 Ų864.4 Ų64.44%0.04336%0.357CS..Hα-helixtrans-64.8-39-179.9-65.5-25.4000111.3V121 T122 G123 L124 H125 Q132 F158V121-D128 VanDerWaalsContact CG1-OD2 3.31Å; V121-D128 WeakPolarHBondContact CG1-OD2 3.03Å; T122-D128 WeakPolarHBondContact CB-OD1 3.25Å; T122-D128 PolarHBondContact N-OD1 3.29Å; T122-D128 PolarHBondContact N-OD2 3.43Å; T122-D128 PolarHBondContact OG1-OD1 2.74Å; G123-D128 PolarHBondContact N-OD2 2.79Å; L124-D128 PolarHBondContact O-N 2.77Å; H125-D128 PolarHBondContact O-N 3.18Å; D128-Q132 WeakPolarHBondContact O-CB 3.42Å; D128-Q132 PolarHBondContact O-N 3.36Å; D128-F158 HydrophobicContact CB-CE2 4.35Å
129E92.3Very high91.9Very high49 Ų4962.1 Ų62.123%0.22934%0.338CS..Hα-helixtrans-62.8-47.5173.3-74.9179.5-164.100111.8H125 V127 Q132 A133 F158 G160 I190H125-E129 WeakPolarHBondContact O-CB 3.49Å; H125-E129 VanDerWaalsContact O-CG 3.29Å; H125-E129 WeakPolarHBondContact O-CG 3.36Å; H125-E129 PolarHBondContact O-N 3.18Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.44Å; E129-Q132 PolarHBondContact O-N 3.28Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 3.25Å; E129-F158 HydrophobicContact CG-CB 4.28Å; E129-F158 HydrophobicContact CG-CD2 4.44Å; E129-G160 VanDerWaalsContact CD-CA 3.45Å; E129-G160 WeakPolarHBondContact OE2-CA 3.49Å; E129-I190 HydrophobicContact CG-CD1 4.16Å
130Y91.4Very high92.1Very high141 Ų14160.9 Ų60.955%0.55333%0.33SS*.Hα-helixtrans-60.3-46.4176.1175.7-97000112.1D126 V127 Q132 A133 Q134D126-Y130 WeakPolarHBondContact O-CB 3.14Å; D126-Y130 PolarHBondContact O-N 2.94Å; D126-Y130 VanDerWaalsContact O-N 3.11Å; V127-Y130 PolarHBondContact O-N 3.39Å; Y130-Q132 PolarHBondContact O-N 3.05Å; Y130-A133 WeakPolarHBondContact O-CB 3.47Å; Y130-A133 PolarHBondContact O-N 3.14Å; Y130-Q134 HydrophobicContact CD1-CG 4.26Å; Y130-Q134 HydrophobicContact CE1-CG 3.86Å; Y130-Q134 WeakPolarHBondContact O-CG 3.09Å; Y130-Q134 PolarHBondContact O-N 3.23Å; Y130-Q134 PolarHBondContact OH-NE2 3Å; Y130-Q134 VanDerWaalsContact OH-NE2 3.07Å
131M93.1Very high92.4Very high91 Ų9154.5 Ų54.545%0.44830%0.296SS..Hα-helixtrans-65.2-38.4179.8-69.7-64.1-68.600111.9P119 V127 A133 Q134 L135P119-M131 HydrophobicContact CB-CB 3.86Å; P119-M131 HydrophobicContact CG-CB 3.74Å; V127-M131 HydrophobicContact CG1-CG 4.28Å; V127-M131 WeakPolarHBondContact O-CB 3.24Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.25Å; V127-M131 PolarHBondContact O-N 2.86Å; M131-A133 VanDerWaalsContact C-N 3.34Å; M131-Q134 PolarHBondContact O-N 3.48Å; M131-L135 PolarHBondContact O-N 3.19Å
132Q95.1Very high92.9Very high4 Ų449.4 Ų49.42%0.01927%0.265CS..Hα-helixtrans-64.6-39.6173.6-17667.643.300111.5G117 A118 D128 E129 Y130 L135 L136 K156 F158G117-Q132 PolarHBondContact O-NE2 3.25Å; G117-Q132 VanDerWaalsContact O-NE2 3.11Å; A118-Q132 VanDerWaalsContact CA-OE1 3.3Å; D128-Q132 WeakPolarHBondContact O-CB 3.42Å; D128-Q132 PolarHBondContact O-N 3.36Å; E129-Q132 PolarHBondContact O-N 3.28Å; Y130-Q132 PolarHBondContact O-N 3.05Å; Q132-L135 PolarHBondContact O-N 3Å; Q132-L136 PolarHBondContact O-N 2.85Å; Q132-K156 PolarHBondContact NE2-O 2.92Å; Q132-F158 HydrophobicContact CB-CD2 3.77Å; Q132-F158 HydrophobicContact CB-CE2 4.04Å; Q132-F158 HydrophobicContact CB-CG 4.06Å; Q132-F158 HydrophobicContact CG-CB 4.3Å; Q132-F158 HydrophobicContact CG-CD1 3.98Å; Q132-F158 HydrophobicContact CG-CD2 4.06Å; Q132-F158 HydrophobicContact CG-CE1 4.3Å; Q132-F158 HydrophobicContact CG-CE2 4.36Å; Q132-F158 HydrophobicContact CG-CG 3.85Å; Q132-F158 HydrophobicContact CG-CZ 4.47Å
133A93.1Very high93.2Very high13 Ų1345.4 Ų45.411%0.10724%0.24CC..Hα-helixtrans-62.4-43.1175.100000112.2E129 Y130 M131 L135 L136 L137 L166E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 3.25Å; Y130-A133 WeakPolarHBondContact O-CB 3.47Å; Y130-A133 PolarHBondContact O-N 3.14Å; M131-A133 VanDerWaalsContact C-N 3.34Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 2.85Å; A133-L136 WeakPolarHBondContact O-CB 3.42Å; A133-L136 PolarHBondContact O-N 2.75Å; A133-L137 WeakPolarHBondContact O-CG 3.38Å; A133-L137 PolarHBondContact O-N 3.14Å; A133-L166 HydrophobicContact CB-CD1 4.15Å; A133-L166 HydrophobicContact CB-CD2 3.86Å
134Q92.2Very high93.6Very high58 Ų5843.4 Ų43.427%0.27122%0.218SC..Hα-helixtrans-59.8-43.6174-67.9-62.6-21.600111.8Y130 M131 L137 A138Y130-Q134 HydrophobicContact CD1-CG 4.26Å; Y130-Q134 HydrophobicContact CE1-CG 3.86Å; Y130-Q134 WeakPolarHBondContact O-CG 3.09Å; Y130-Q134 PolarHBondContact O-N 3.23Å; Y130-Q134 PolarHBondContact OH-NE2 3Å; Y130-Q134 VanDerWaalsContact OH-NE2 3.07Å; M131-Q134 PolarHBondContact O-N 3.48Å; Q134-L137 PolarHBondContact O-N 2.81Å; Q134-A138 PolarHBondContact O-N 2.84Å
135L94.3Very high93.7Very high38 Ų3840.3 Ų40.320%0.19920%0.201CC..Hα-helixtrans-64.4-40.9178.4-170.567.2000112.1I92 G117 M131 Q132 A133 L137 A138 A139I92-L135 HydrophobicContact CD1-CD1 3.89Å; G117-L135 VanDerWaalsContact C-CD2 3.42Å; M131-L135 PolarHBondContact O-N 3.19Å; Q132-L135 PolarHBondContact O-N 3Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 2.85Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.49Å; L135-A138 PolarHBondContact O-N 2.9Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.8Å
136L95.2Very high94.1Very high3 Ų334.1 Ų34.12%0.01617%0.172CC..Hα-helixtrans-57.9-44.5173.9174.868.3000111.2Q132 A133 A139 L140 F153 A155 I157 L166Q132-L136 PolarHBondContact O-N 2.85Å; A133-L136 WeakPolarHBondContact O-CB 3.42Å; A133-L136 PolarHBondContact O-N 2.75Å; L136-A139 PolarHBondContact O-N 3.39Å; L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 PolarHBondContact O-N 2.73Å; L136-F153 HydrophobicContact CD1-CE1 4.04Å; L136-F153 HydrophobicContact CD1-CZ 4.2Å; L136-A155 HydrophobicContact CD1-CB 3.41Å; L136-A155 VanDerWaalsContact CD1-CB 3.41Å; L136-I157 HydrophobicContact CD1-CG2 3.97Å; L136-I157 HydrophobicContact CD2-CG2 3.7Å; L136-I157 HydrophobicContact CG-CG2 4.39Å; L136-L166 HydrophobicContact CD2-CB 4.01Å; L136-L166 HydrophobicContact CD2-CD1 3.89Å; L136-L166 HydrophobicContact CD2-CD2 4.21Å; L136-L166 HydrophobicContact CD2-CG 4.26Å
137L92.9Very high94.5Very high13 Ų1328.2 Ų28.27%0.06814%0.141CC..Hα-helixtrans-72.7-36.4-177.6-68.4169.7000112.8A133 Q134 L135 A139 L140 N141 L213 L214A133-L137 WeakPolarHBondContact O-CG 3.38Å; A133-L137 PolarHBondContact O-N 3.14Å; Q134-L137 PolarHBondContact O-N 2.81Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 2.85Å; L137-L140 HydrophobicContact CD2-CD2 4.17Å; L137-L140 PolarHBondContact O-N 2.78Å; L137-N141 VanDerWaalsContact O-CB 3.3Å; L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.7Å; L137-L213 HydrophobicContact CD2-CB 4.29Å; L137-L213 HydrophobicContact CD2-CD1 4.22Å; L137-L214 HydrophobicContact CD1-CB 4.34Å; L137-L214 HydrophobicContact CD1-CD1 3.2Å; L137-L214 HydrophobicContact CD1-CD2 4.12Å; L137-L214 HydrophobicContact CD1-CG 3.25Å
138A94Very high94.8Very high15 Ų1528.4 Ų28.412%0.12414%0.136CC..Hα-helixtrans-59.2-45.1169.500000110.7I92 T93 Q134 L135 N141 I142I92-A138 HydrophobicContact CD1-CB 4.08Å; I92-A138 HydrophobicContact CG1-CB 4.14Å; T93-A138 HydrophobicContact CG2-CB 3.96Å; Q134-A138 PolarHBondContact O-N 2.84Å; L135-A138 PolarHBondContact O-N 2.9Å; A138-N141 PolarHBondContact O-N 2.87Å; A138-I142 PolarHBondContact O-N 3.23Å
139A96.9Very high95Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-64.3-42.9176.800000112.6L48 I92 C115 L135 L136 L137 N141 I142 A143 F153L48-A139 HydrophobicContact CD1-CB 3.89Å; I92-A139 HydrophobicContact CD1-CB 4.19Å; C115-A139 HydrophobicContact CB-CB 4.15Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.8Å; L136-A139 PolarHBondContact O-N 3.39Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 2.85Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.21Å; A139-I142 PolarHBondContact O-N 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 2.83Å; A139-F153 HydrophobicContact CB-CE2 4.13Å; A139-F153 HydrophobicContact CB-CZ 3.95Å
140L95.9Very high95.3Very high1 Ų133 Ų331%0.00518%0.18CC..Hα-helixtrans-59.6-44.1173.6174.160.3000110.8L136 L137 A143 T144 F153 L170 F173 F174 L213L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 PolarHBondContact O-N 2.73Å; L137-L140 HydrophobicContact CD2-CD2 4.17Å; L137-L140 PolarHBondContact O-N 2.78Å; L140-A143 CarbonylContact O-C 3.43Å; L140-A143 WeakPolarHBondContact O-CA 3.26Å; L140-A143 VanDerWaalsContact O-CB 3.26Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.07Å; L140-T144 HydrophobicContact CD1-CG2 4.39Å; L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.42Å; L140-T144 PolarHBondContact O-N 3.45Å; L140-F153 HydrophobicContact CB-CE1 4.18Å; L140-F153 HydrophobicContact CB-CZ 4.31Å; L140-F153 HydrophobicContact CD1-CD1 4.34Å; L140-F153 HydrophobicContact CD1-CE1 4.31Å; L140-L170 HydrophobicContact CD1-CD2 3.94Å; L140-L170 HydrophobicContact CD2-CD2 3.89Å; L140-L170 HydrophobicContact CG-CD2 4.39Å; L140-F173 HydrophobicContact CD2-CD2 4.31Å; L140-F174 HydrophobicContact CD1-CE2 3.67Å; L140-F174 HydrophobicContact CD1-CZ 4.39Å; L140-L213 HydrophobicContact CD2-CD1 3.79Å
141N94.1Very high95.6Very high24 Ų2426.4 Ų26.413%0.12815%0.154CC..Hα-helixtrans-62.5-48-178.9-156.2-20.1000111L137 A138 A139 A143 T144 H145 D208 L209L137-N141 VanDerWaalsContact O-CB 3.3Å; L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.7Å; A138-N141 PolarHBondContact O-N 2.87Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.21Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 2.67Å; N141-T144 PolarHBondContact O-N 3.08Å; N141-T144 VanDerWaalsContact O-N 3.08Å; N141-T144 PolarHBondContact O-OG1 2.92Å; N141-H145 PolarHBondContact O-CD2 3.24Å; N141-H145 VanDerWaalsContact O-CD2 3.3Å; N141-H145 PolarHBondContact O-N 3.44Å; N141-D208 PolarHBondContact ND2-O 3.08Å; N141-L209 HydrophobicContact CB-CD2 3.91Å; N141-L209 WeakPolarHBondContact ND2-CA 3.14Å
142I96Very high95.9Very high0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-54.8-44.9169.9-65.6-63.7000110.9L48 I92 A98 I101 A138 A139 T144 H145 V146 L209L48-I142 HydrophobicContact CD1-CB 4.07Å; L48-I142 HydrophobicContact CD1-CG2 3.97Å; L48-I142 HydrophobicContact CD2-CG2 3.98Å; I92-I142 HydrophobicContact CB-CG1 4.12Å; I92-I142 VanDerWaalsContact O-CD1 3.31Å; I92-I142 WeakPolarHBondContact O-CD1 3.46Å; I92-I142 WeakPolarHBondContact O-CG1 3.38Å; A98-I142 HydrophobicContact CB-CD1 3.69Å; I101-I142 HydrophobicContact CD1-CG2 3.76Å; A138-I142 PolarHBondContact O-N 3.23Å; A139-I142 PolarHBondContact O-N 3.29Å; I142-T144 VanDerWaalsContact C-N 3.28Å; I142-T144 PolarHBondContact O-N 3.11Å; I142-H145 WeakPolarHBondContact O-CB 3.35Å; I142-H145 PolarHBondContact O-N 3.2Å; I142-V146 HydrophobicContact CG2-CG1 4.42Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.02Å; I142-L209 HydrophobicContact CD1-CD1 4.41Å
143A97.1Very high96.1Very high0 Ų022.9 Ų22.90%014%0.139CC..Hα-helixtrans-57.6-40.4178.400000111.8V113 A139 L140 N141 H145 V146 L147 F153V113-A143 HydrophobicContact CB-CB 4.23Å; V113-A143 HydrophobicContact CG1-CB 4.11Å; V113-A143 HydrophobicContact CG2-CB 4.24Å; A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 2.83Å; L140-A143 CarbonylContact O-C 3.43Å; L140-A143 WeakPolarHBondContact O-CA 3.26Å; L140-A143 VanDerWaalsContact O-CB 3.26Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.07Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 2.67Å; A143-H145 PolarHBondContact O-N 3.46Å; A143-V146 PolarHBondContact O-N 3.21Å; A143-V146 VanDerWaalsContact O-N 3.16Å; A143-L147 HydrophobicContact CB-CD1 3.77Å; A143-L147 HydrophobicContact CB-CG 4.24Å; A143-L147 VanDerWaalsContact O-CB 3.23Å; A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.48Å; A143-F153 HydrophobicContact CB-CD2 3.86Å; A143-F153 HydrophobicContact CB-CE2 4.16Å; A143-F153 HydrophobicContact CB-CG 4.31Å
144T95.7Very high96.3Very high9 Ų922.3 Ų22.36%0.05513%0.133CC..Hα-helixtrans-64-27.6177.771.50000114L140 N141 I142 F173 Y199 F205 P207L140-T144 HydrophobicContact CD1-CG2 4.39Å; L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.42Å; L140-T144 PolarHBondContact O-N 3.45Å; N141-T144 PolarHBondContact O-N 3.08Å; N141-T144 VanDerWaalsContact O-N 3.08Å; N141-T144 PolarHBondContact O-OG1 2.92Å; I142-T144 VanDerWaalsContact C-N 3.28Å; I142-T144 PolarHBondContact O-N 3.11Å; T144-F173 HydrophobicContact CG2-CD1 4.33Å; T144-F173 HydrophobicContact CG2-CE1 4.44Å; T144-Y199 VanDerWaalsContact CA-OH 3.26Å; T144-Y199 WeakPolarHBondContact CA-OH 3.37Å; T144-Y199 WeakPolarHBondContact CB-OH 3.15Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 2.78Å; T144-Y199 VanDerWaalsContact O-OH 3.1Å; T144-F205 HydrophobicContact CG2-CE1 4.25Å; T144-P207 WeakPolarHBondContact O-CG 3.42Å
145H95.1Very high96.6Very high47 Ų4719.6 Ų19.622%0.21812%0.121CC..Hα-helixtrans-79.6-28.2175.7-78.1-79.5000113.5A98 N141 I142 A143 P207A98-H145 HydrophobicContact CB-CB 4.22Å; N141-H145 PolarHBondContact O-CD2 3.24Å; N141-H145 VanDerWaalsContact O-CD2 3.3Å; N141-H145 PolarHBondContact O-N 3.44Å; I142-H145 WeakPolarHBondContact O-CB 3.35Å; I142-H145 PolarHBondContact O-N 3.2Å; A143-H145 PolarHBondContact O-N 3.46Å; H145-P207 WeakPolarHBondContact CE1-CB 3.27Å; H145-P207 PolarHBondContact CE1-O 3.46Å; H145-P207 WeakPolarHBondContact ND1-CB 2.79Å
146V96.9Very high96.8Very high3 Ų318.4 Ų18.42%0.01811%0.114CC..Hα-helixtrans-115.8-20.8-167.3-51.20000114V46 I101 I102 P109 A110 V113 I142 A143V46-V146 HydrophobicContact CG2-CG2 4.23Å; I101-V146 HydrophobicContact CB-CG1 4.31Å; I101-V146 HydrophobicContact CG2-CB 4.41Å; I101-V146 HydrophobicContact CG2-CG1 3.96Å; I102-V146 HydrophobicContact CD1-CG1 4.45Å; I102-V146 HydrophobicContact CG1-CG1 3.97Å; P109-V146 CarbonylContact C-O 3.55Å; P109-V146 VanDerWaalsContact CA-O 3.27Å; P109-V146 WeakPolarHBondContact CA-O 3.48Å; P109-V146 WeakPolarHBondContact CB-O 3.35Å; A110-V146 HydrophobicContact CB-CG2 4.43Å; A110-V146 PolarHBondContact N-O 2.78Å; V113-V146 HydrophobicContact CG2-CG2 3.61Å; I142-V146 HydrophobicContact CG2-CG1 4.42Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.02Å; A143-V146 PolarHBondContact O-N 3.21Å; A143-V146 VanDerWaalsContact O-N 3.16Å
147L98.2Very high96.9Very high10 Ų1018.4 Ų18.45%0.05211%0.114CC..EExtended strand (participates in β ladder)trans-75.5144.1-178.7-79.3174.8000112.7V113 A143 C152 F153 F174 Y199V113-L147 HydrophobicContact CB-CD2 4.23Å; V113-L147 HydrophobicContact CB-CG 4.4Å; V113-L147 HydrophobicContact CG2-CD1 4.32Å; V113-L147 HydrophobicContact CG2-CD2 3.57Å; V113-L147 HydrophobicContact CG2-CG 3.67Å; A143-L147 HydrophobicContact CB-CD1 3.77Å; A143-L147 HydrophobicContact CB-CG 4.24Å; A143-L147 VanDerWaalsContact O-CB 3.23Å; A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.48Å; L147-C152 WeakPolarHBondContact CD2-O 3.23Å; L147-F153 HydrophobicContact CD1-CB 4.1Å; L147-F174 HydrophobicContact CD1-CE1 4.02Å; L147-F174 HydrophobicContact CD1-CZ 3.91Å; L147-Y199 HydrophobicContact CB-CD1 3.76Å; L147-Y199 HydrophobicContact CB-CE1 4.11Å; L147-Y199 HydrophobicContact CB-CG 4.09Å; L147-Y199 HydrophobicContact CD1-CD2 4.46Å; L147-Y199 HydrophobicContact CD1-CG 4.33Å
148K97.8Very high97Very high69 Ų6919.1 Ų19.130%0.312%0.117SC..EExtended strand (participates in β ladder)trans-76.9152.3167.272.1177.6-175.1-174.30110.2P109 A110 D111 G150 G151 Y199P109-K148 HydrophobicContact CB-CB 3.81Å; P109-K148 HydrophobicContact CG-CB 3.68Å; A110-K148 WeakPolarHBondContact O-CG 3.3Å; A110-K148 PolarHBondContact O-N 2.96Å; D111-K148 VanDerWaalsContact OD1-CD 3.24Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.2Å; D111-K148 IonicContact OD1-NZ 3.74Å; D111-K148 PolarHBondContact OD1-NZ 3.41Å; K148-G150 PolarHBondContact O-N 2.74Å; K148-G151 WeakPolarHBondContact O-CA 3.2Å; K148-G151 PolarHBondContact O-N 2.77Å; K148-Y199 WeakPolarHBondContact O-CD1 3.38Å
149P98Very high96.9Very high107 Ų10723.1 Ų23.170%0.69513%0.129SC*.EExtended strand (participates in β ladder)trans-51.5133.6163.9-25.835.2000111.2G151 Y199P149-G151 VanDerWaalsContact C-N 3.3Å; P149-Y199 CarbonylContact C-O 3.47Å; P149-Y199 WeakPolarHBondContact CA-O 3.28Å
150G98.1Very high96.5Very high48 Ų4823.9 Ų23.950%0.49514%0.137SC..EExtended strand (participates in β ladder)trans81-1.2-172.800000115.2K148 Y199K148-G150 PolarHBondContact O-N 2.74Å; G150-Y199 PolarHBondContact N-O 2.96Å
151G98.5Very high95.9Very high1 Ų134 Ų341%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-69.1172.2179.200000114.3D111 K148 P149 G198 Y199D111-G151 WeakPolarHBondContact O-CA 3.46Å; K148-G151 WeakPolarHBondContact O-CA 3.2Å; K148-G151 PolarHBondContact O-N 2.77Å; P149-G151 VanDerWaalsContact C-N 3.3Å; G151-G198 PolarHBondContact O-N 2.82Å; G151-Y199 PolarHBondContact O-N 2.81Å
152C98.8Very high95.3Very high22 Ų2236.6 Ų36.615%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-115.4144.1-177.6-66.80000112.2D111 L112 V113 L147 C196D111-C152 PolarHBondContact O-N 2.85Å; L112-C152 WeakPolarHBondContact CA-O 3.31Å; L112-C152 HydrophobicContact CD1-CB 3.67Å; V113-C152 PolarHBondContact N-O 3.04Å; L147-C152 WeakPolarHBondContact CD2-O 3.23Å; C152-C196 CarbonylContact C-O 3.59Å; C152-C196 WeakPolarHBondContact CA-O 3.43Å
153F98.8Very high95Very high0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-127.9127.5172.9175.3-121.3000110.4V113 L136 A139 L140 A143 L147 A155 L170 F174 C196V113-F153 HydrophobicContact CB-CD2 3.98Å; V113-F153 HydrophobicContact CG1-CD2 3.81Å; V113-F153 HydrophobicContact CG1-CE2 4.03Å; V113-F153 CarbonylContact O-C 3.59Å; V113-F153 VanDerWaalsContact O-CA 3.31Å; V113-F153 WeakPolarHBondContact O-CA 3.23Å; L136-F153 HydrophobicContact CD1-CE1 4.04Å; L136-F153 HydrophobicContact CD1-CZ 4.2Å; A139-F153 HydrophobicContact CB-CE2 4.13Å; A139-F153 HydrophobicContact CB-CZ 3.95Å; L140-F153 HydrophobicContact CB-CE1 4.18Å; L140-F153 HydrophobicContact CB-CZ 4.31Å; L140-F153 HydrophobicContact CD1-CD1 4.34Å; L140-F153 HydrophobicContact CD1-CE1 4.31Å; A143-F153 HydrophobicContact CB-CD2 3.86Å; A143-F153 HydrophobicContact CB-CE2 4.16Å; A143-F153 HydrophobicContact CB-CG 4.31Å; L147-F153 HydrophobicContact CD1-CB 4.1Å; F153-A155 HydrophobicContact CE1-CB 3.78Å; F153-A155 HydrophobicContact CE2-CB 3.93Å; F153-A155 HydrophobicContact CZ-CB 3.39Å; F153-L170 HydrophobicContact CD1-CD2 4.06Å; F153-L170 HydrophobicContact CE1-CD2 3.94Å; F153-F174 HydrophobicContact CB-CE1 3.76Å; F153-F174 HydrophobicContact CB-CE2 4.15Å; F153-F174 HydrophobicContact CB-CZ 3.38Å; F153-F174 HydrophobicContact CD1-CE2 4.26Å; F153-F174 HydrophobicContact CD1-CZ 4.27Å; F153-F174 HydrophobicContact CG-CZ 4.15Å; F153-C196 HydrophobicContact CB-CB 4.2Å; F153-C196 PolarHBondContact N-O 3.19Å; F153-C196 WeakPolarHBondContact O-CA 3.45Å; F153-C196 WeakPolarHBondContact O-CB 3.28Å; F153-C196 PolarHBondContact O-N 2.89Å
154V98.9Very high94.6Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-128.3120178.1-178.60000109.9L32 L38 W55 L112 V113 V114 C115 F193 A194 V195L32-V154 HydrophobicContact CD1-CG1 4Å; L38-V154 HydrophobicContact CD1-CG2 3.89Å; L38-V154 HydrophobicContact CD2-CG2 3.85Å; W55-V154 HydrophobicContact CH2-CG1 4.48Å; L112-V154 HydrophobicContact CD1-CG2 4.48Å; V113-V154 PolarHBondContact O-N 2.92Å; V114-V154 CarbonylContact C-O 3.53Å; V114-V154 WeakPolarHBondContact CA-O 3.33Å; V114-V154 HydrophobicContact CG1-CB 4.26Å; C115-V154 PolarHBondContact N-O 2.82Å; V154-F193 HydrophobicContact CG1-CB 4.4Å; V154-F193 HydrophobicContact CG1-CD1 4.4Å; V154-A194 VanDerWaalsContact CA-O 3.3Å; V154-A194 WeakPolarHBondContact CA-O 3.41Å; V154-V195 HydrophobicContact CG1-CG2 4.2Å; V154-V195 HydrophobicContact CG2-CG1 4.23Å; V154-V195 HydrophobicContact CG2-CG2 4.39Å
155A98.6Very high94.3Very high1 Ų139.9 Ų39.91%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-141146.3-176.800000112.9C115 L136 F153 F193 A194C115-A155 HydrophobicContact CB-CB 4.01Å; C115-A155 CarbonylContact O-C 3.58Å; C115-A155 VanDerWaalsContact O-CA 3.3Å; C115-A155 WeakPolarHBondContact O-CA 3.23Å; L136-A155 HydrophobicContact CD1-CB 3.41Å; L136-A155 VanDerWaalsContact CD1-CB 3.41Å; F153-A155 HydrophobicContact CE1-CB 3.78Å; F153-A155 HydrophobicContact CE2-CB 3.93Å; F153-A155 HydrophobicContact CZ-CB 3.39Å; A155-F193 CarbonylContact O-C 3.56Å; A155-F193 VanDerWaalsContact O-CA 3.25Å; A155-F193 WeakPolarHBondContact O-CA 3.35Å; A155-A194 PolarHBondContact N-O 3.32Å; A155-A194 PolarHBondContact O-N 3.45Å
156K98.2Very high94.1Very high14 Ų1438.4 Ų38.46%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-64.2136.1172.9-174.8-174.7-65.5163.30110.7C115 D116 A118 Q132 F158 E191 A192 F193C115-K156 PolarHBondContact O-N 2.83Å; D116-K156 WeakPolarHBondContact O-CE 3.31Å; D116-K156 PolarHBondContact O-NZ 2.85Å; D116-K156 WeakPolarHBondContact OD1-CE 3.45Å; D116-K156 IonicContact OD1-NZ 3.14Å; D116-K156 PolarHBondContact OD1-NZ 2.75Å; D116-K156 VanDerWaalsContact OD1-NZ 3.08Å; A118-K156 HydrophobicContact CB-CD 4.1Å; Q132-K156 PolarHBondContact NE2-O 2.92Å; K156-F158 HydrophobicContact CD-CE1 4.3Å; K156-E191 HydrophobicContact CD-CG 3.79Å; K156-E191 VanDerWaalsContact CE-CD 3.46Å; K156-E191 WeakPolarHBondContact CE-OE2 3.44Å; K156-E191 HydrophobicContact CG-CG 3.7Å; K156-E191 IonicContact NZ-OE2 3.11Å; K156-A192 WeakPolarHBondContact CA-O 3.26Å; K156-F193 HydrophobicContact CB-CD1 4.27Å; K156-F193 HydrophobicContact CB-CE1 3.88Å; K156-F193 HydrophobicContact CB-CZ 4.42Å; K156-F193 HydrophobicContact CG-CE1 4.45Å
157I96.5Very high93.9Very high2 Ų238.8 Ų38.81%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-131.3156.7172.667.1175.2000109.8L136 R159 V163 Y167 E191 A192 A194L136-I157 HydrophobicContact CD1-CG2 3.97Å; L136-I157 HydrophobicContact CD2-CG2 3.7Å; L136-I157 HydrophobicContact CG-CG2 4.39Å; I157-R159 HydrophobicContact CD1-CG 4.47Å; I157-V163 HydrophobicContact CD1-CG2 3.98Å; I157-Y167 HydrophobicContact CD1-CE1 3.63Å; I157-E191 WeakPolarHBondContact O-CA 3.43Å; I157-A192 HydrophobicContact CG1-CB 4.12Å; I157-A192 PolarHBondContact N-O 3.26Å; I157-A192 PolarHBondContact O-N 3.47Å; I157-A192 VanDerWaalsContact O-O 3.09Å; I157-A194 HydrophobicContact CD1-CB 4.4Å; I157-A194 HydrophobicContact CG2-CB 3.9Å
158F95Very high93.6Very high29 Ų2940.2 Ų40.213%0.12721%0.213CC..EExtended strand (participates in β ladder)trans-99.4126.1162.8-71-7.3000108.2D128 E129 Q132 K156 G160 I190 E191D128-F158 HydrophobicContact CB-CE2 4.35Å; E129-F158 HydrophobicContact CG-CB 4.28Å; E129-F158 HydrophobicContact CG-CD2 4.44Å; Q132-F158 HydrophobicContact CB-CD2 3.77Å; Q132-F158 HydrophobicContact CB-CE2 4.04Å; Q132-F158 HydrophobicContact CB-CG 4.06Å; Q132-F158 HydrophobicContact CG-CB 4.3Å; Q132-F158 HydrophobicContact CG-CD1 3.98Å; Q132-F158 HydrophobicContact CG-CD2 4.06Å; Q132-F158 HydrophobicContact CG-CE1 4.3Å; Q132-F158 HydrophobicContact CG-CE2 4.36Å; Q132-F158 HydrophobicContact CG-CG 3.85Å; Q132-F158 HydrophobicContact CG-CZ 4.47Å; K156-F158 HydrophobicContact CD-CE1 4.3Å; F158-G160 PolarHBondContact O-N 2.89Å; F158-I190 HydrophobicContact CB-CD1 3.78Å; F158-I190 HydrophobicContact CB-CG1 4.03Å; F158-I190 HydrophobicContact CD1-CG1 4.38Å; F158-I190 HydrophobicContact CD2-CD1 4.23Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.09Å; F158-E191 HydrophobicContact CD1-CB 4.43Å; F158-E191 HydrophobicContact CE1-CB 4.38Å
159R92.6Very high93.3Very high98 Ų9837.5 Ų37.537%0.3720%0.201SC..  trans-78.562.6176.8-70.3176.560.890.5-4.6110.5I157 Y167 C179 I190 A192 F235I157-R159 HydrophobicContact CD1-CG 4.47Å; R159-Y167 PolarHBondContact NH1-OH 3.39Å; R159-C179 PolarHBondContact NH1-SG 3.03Å; R159-I190 PolarHBondContact N-O 2.8Å; R159-A192 HydrophobicContact CG-CB 3.82Å; R159-F235 VanDerWaalsContact CZ-CD2 3.42Å
160G88Confident93.2Very high16 Ų1632.5 Ų32.517%0.16517%0.169CC..  trans-77.1-171.317400000113E129 F158 D162E129-G160 VanDerWaalsContact CD-CA 3.45Å; E129-G160 WeakPolarHBondContact OE2-CA 3.49Å; F158-G160 PolarHBondContact O-N 2.89Å; G160-D162 VanDerWaalsContact C-N 3.35Å; G160-D162 PolarHBondContact O-N 2.98Å
161R83.4Confident93Very high213 Ų21333.7 Ų33.780%0.80416%0.162SC*.THydrogen-bonded Turntrans-61.1-41.4-176.1-166.6179.6-149.81634113
162D81.3Confident92.8Very high80 Ų8037.3 Ų37.343%0.42818%0.183SC..THydrogen-bonded Turntrans-104.924.1-170.5-56.3-40000113G160 T164 L165G160-D162 VanDerWaalsContact C-N 3.35Å; G160-D162 PolarHBondContact O-N 2.98Å; D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact O-N 3.12Å; D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 2.84Å; D162-L165 VanDerWaalsContact O-N 3.13Å
163V89.3Confident92.7Very high18 Ų1836.4 Ų36.411%0.10918%0.177CC..Hα-helixtrans-60.1-24.9-17871.10000113.4I157 L166 Y167I157-V163 HydrophobicContact CD1-CG2 3.98Å; V163-L166 WeakPolarHBondContact O-CB 3.22Å; V163-L166 PolarHBondContact O-N 2.85Å; V163-Y167 HydrophobicContact CB-CE2 4.41Å; V163-Y167 HydrophobicContact CG1-CE2 3.84Å; V163-Y167 HydrophobicContact CG2-CE1 3.87Å; V163-Y167 HydrophobicContact CG2-CE2 3.91Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.46Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.46Å; V163-Y167 PolarHBondContact O-N 3.22Å; V163-Y167 VanDerWaalsContact O-N 3.07Å
164T89.4Confident92.6Very high33 Ų3336.8 Ų36.820%0.20218%0.179CC..Hα-helixtrans-64.2-34.5176.542.40000113.2D162 L166 Y167 S168 Y218 N223D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact O-N 3.12Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.96Å; T164-Y167 WeakPolarHBondContact O-CB 3.37Å; T164-Y167 PolarHBondContact O-N 3.47Å; T164-S168 PolarHBondContact O-N 2.81Å; T164-S168 PolarHBondContact O-OG 2.58Å; T164-Y218 PolarHBondContact OG1-OH 3.25Å; T164-N223 VanDerWaalsContact CB-OD1 3.26Å; T164-N223 WeakPolarHBondContact CB-OD1 3.18Å; T164-N223 VanDerWaalsContact CG2-OD1 3.23Å; T164-N223 WeakPolarHBondContact CG2-OD1 3.33Å; T164-N223 PolarHBondContact OG1-OD1 3.04Å
165L88.2Confident92.6Very high26 Ų2641.4 Ų41.414%0.13621%0.211CC..Hα-helixtrans-59-45.6171.1171.758.8000110.6D162 Y167 S168 Q169 L214 Y218D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 2.84Å; D162-L165 VanDerWaalsContact O-N 3.13Å; L165-Y167 VanDerWaalsContact C-N 3.29Å; L165-Y167 PolarHBondContact O-N 3.35Å; L165-S168 PolarHBondContact O-N 3.01Å; L165-Q169 HydrophobicContact CD1-CG 4.22Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 2.73Å; L165-L214 HydrophobicContact CD2-CD2 4.03Å; L165-Y218 HydrophobicContact CB-CD1 4.18Å; L165-Y218 HydrophobicContact CB-CD2 3.84Å; L165-Y218 HydrophobicContact CB-CE1 4.23Å; L165-Y218 HydrophobicContact CB-CE2 3.87Å; L165-Y218 HydrophobicContact CB-CG 3.99Å; L165-Y218 HydrophobicContact CD1-CD2 3.62Å; L165-Y218 HydrophobicContact CD1-CE2 4.29Å; L165-Y218 HydrophobicContact CD1-CG 4.01Å; L165-Y218 HydrophobicContact CD2-CD1 4.42Å; L165-Y218 HydrophobicContact CD2-CD2 4.42Å; L165-Y218 HydrophobicContact CD2-CG 3.99Å; L165-Y218 HydrophobicContact CG-CD2 4.14Å; L165-Y218 HydrophobicContact CG-CG 4.2Å
166L91.4Very high92.6Very high16 Ų1643.6 Ų43.68%0.08423%0.226CC..Hα-helixtrans-61.6-40.8177.8-55.3178.2000111.1A133 L136 V163 T164 Q169 L170A133-L166 HydrophobicContact CB-CD1 4.15Å; A133-L166 HydrophobicContact CB-CD2 3.86Å; L136-L166 HydrophobicContact CD2-CB 4.01Å; L136-L166 HydrophobicContact CD2-CD1 3.89Å; L136-L166 HydrophobicContact CD2-CD2 4.21Å; L136-L166 HydrophobicContact CD2-CG 4.26Å; V163-L166 WeakPolarHBondContact O-CB 3.22Å; V163-L166 PolarHBondContact O-N 2.85Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.96Å; L166-Q169 PolarHBondContact O-N 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.5Å
167Y93.8Very high92.6Very high12 Ų1243.3 Ų43.35%0.04723%0.225CC..Hα-helixtrans-63.1-45.5175.4-62.8-28.7000112.7I157 R159 V163 T164 L165 Q169 L170 Q171 V177 C179 V233I157-Y167 HydrophobicContact CD1-CE1 3.63Å; R159-Y167 PolarHBondContact NH1-OH 3.39Å; V163-Y167 HydrophobicContact CB-CE2 4.41Å; V163-Y167 HydrophobicContact CG1-CE2 3.84Å; V163-Y167 HydrophobicContact CG2-CE1 3.87Å; V163-Y167 HydrophobicContact CG2-CE2 3.91Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.46Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.46Å; V163-Y167 PolarHBondContact O-N 3.22Å; V163-Y167 VanDerWaalsContact O-N 3.07Å; T164-Y167 WeakPolarHBondContact O-CB 3.37Å; T164-Y167 PolarHBondContact O-N 3.47Å; L165-Y167 VanDerWaalsContact C-N 3.29Å; L165-Y167 PolarHBondContact O-N 3.35Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 2.79Å; Y167-L170 PolarHBondContact O-N 2.96Å; Y167-Q171 WeakPolarHBondContact O-CB 3.39Å; Y167-Q171 VanDerWaalsContact O-CG 3.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.3Å; Y167-Q171 PolarHBondContact O-N 3.03Å; Y167-V177 HydrophobicContact CD1-CG1 4.38Å; Y167-C179 HydrophobicContact CE1-CB 4.33Å; Y167-C179 WeakPolarHBondContact OH-CB 3.15Å; Y167-C179 PolarHBondContact OH-SG 3.48Å; Y167-C179 VanDerWaalsContact OH-SG 3.36Å; Y167-V233 HydrophobicContact CD1-CG1 4.34Å; Y167-V233 HydrophobicContact CD1-CG2 4.41Å; Y167-V233 HydrophobicContact CD2-CB 3.72Å; Y167-V233 HydrophobicContact CD2-CG1 4.16Å; Y167-V233 HydrophobicContact CD2-CG2 3.5Å; Y167-V233 HydrophobicContact CE1-CG1 4.36Å; Y167-V233 HydrophobicContact CE2-CB 3.96Å; Y167-V233 HydrophobicContact CE2-CG1 4.18Å; Y167-V233 HydrophobicContact CE2-CG2 4.26Å; Y167-V233 HydrophobicContact CG-CB 4.14Å; Y167-V233 HydrophobicContact CG-CG1 4.26Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å
168S90.7Very high92.6Very high39 Ų3944 Ų4427%0.27323%0.229SC..Hα-helixtrans-60.5-41.9176.6-63.10000111.5T164 L165 L170 Q171 V172T164-S168 PolarHBondContact O-N 2.81Å; T164-S168 PolarHBondContact O-OG 2.58Å; L165-S168 PolarHBondContact O-N 3.01Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.09Å; S168-Q171 PolarHBondContact O-N 2.7Å; S168-V172 PolarHBondContact O-N 3.34Å
169Q91.4Very high92.8Very high12 Ų1242.6 Ų42.66%0.05622%0.223CC..Hα-helixtrans-62.1-40.3175.2-71.7169.4-35.700112.3L165 L166 Y167 V172 F173 L213L165-Q169 HydrophobicContact CD1-CG 4.22Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 2.73Å; L166-Q169 PolarHBondContact O-N 3.39Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 2.79Å; Q169-V172 WeakPolarHBondContact O-CB 3.15Å; Q169-F173 WeakPolarHBondContact O-CD2 3.41Å; Q169-L213 PolarHBondContact NE2-O 2.89Å
170L95.7Very high93Very high2 Ų238 Ų381%0.0121%0.205CC..Hα-helixtrans-68.4-39.8175.8-68.5165.6000111.8L140 F153 L166 Y167 S168 V172 F173 F174 V177 A194L140-L170 HydrophobicContact CD1-CD2 3.94Å; L140-L170 HydrophobicContact CD2-CD2 3.89Å; L140-L170 HydrophobicContact CG-CD2 4.39Å; F153-L170 HydrophobicContact CD1-CD2 4.06Å; F153-L170 HydrophobicContact CE1-CD2 3.94Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.5Å; Y167-L170 PolarHBondContact O-N 2.96Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.09Å; L170-V172 PolarHBondContact O-N 3.24Å; L170-F173 PolarHBondContact O-N 3.13Å; L170-F174 WeakPolarHBondContact O-CD2 3.28Å; L170-F174 PolarHBondContact O-N 2.83Å; L170-F174 VanDerWaalsContact O-N 3.16Å; L170-V177 HydrophobicContact CB-CG1 4.08Å; L170-V177 HydrophobicContact CB-CG2 3.86Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; L170-A194 HydrophobicContact CD1-CB 3.7Å
171Q95Very high93.5Very high74 Ų7438.1 Ų38.135%0.34620%0.201SC..Hα-helixtrans-64.5-18.6179.9-76.3177.1-36.500113.5Y167 S168 F173 V177Y167-Q171 WeakPolarHBondContact O-CB 3.39Å; Y167-Q171 VanDerWaalsContact O-CG 3.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.3Å; Y167-Q171 PolarHBondContact O-N 3.03Å; S168-Q171 PolarHBondContact O-N 2.7Å; Q171-F173 PolarHBondContact O-N 3.49Å; Q171-V177 HydrophobicContact CB-CG2 4.49Å; Q171-V177 HydrophobicContact CG-CB 3.92Å; Q171-V177 HydrophobicContact CG-CG2 3.74Å
172V93.6Very high94.2Very high76 Ų7628 Ų2846%0.46116%0.163SC..THydrogen-bonded Turntrans-63.2-30.5170.5174.80000111.8S168 Q169 L170 P202S168-V172 PolarHBondContact O-N 3.34Å; Q169-V172 WeakPolarHBondContact O-CB 3.15Å; L170-V172 PolarHBondContact O-N 3.24Å; V172-P202 HydrophobicContact CG1-CG 3.84Å
173F96.6Very high94.9Very high4 Ų427.7 Ų27.72%0.01816%0.156CC..THydrogen-bonded Turntrans-114.4-7-170.8-61.5-74000114.2L140 T144 Q169 L170 Q171 Y199 D200 P201 F205 L213L140-F173 HydrophobicContact CD2-CD2 4.31Å; T144-F173 HydrophobicContact CG2-CD1 4.33Å; T144-F173 HydrophobicContact CG2-CE1 4.44Å; Q169-F173 WeakPolarHBondContact O-CD2 3.41Å; L170-F173 PolarHBondContact O-N 3.13Å; Q171-F173 PolarHBondContact O-N 3.49Å; F173-Y199 HydrophobicContact CB-CD2 4.29Å; F173-Y199 HydrophobicContact CB-CE2 4.08Å; F173-Y199 HydrophobicContact CD1-CE2 4.44Å; F173-Y199 CarbonylContact O-C 3.58Å; F173-Y199 WeakPolarHBondContact O-CA 3.37Å; F173-Y199 VanDerWaalsContact O-CD2 3.29Å; F173-Y199 WeakPolarHBondContact O-CD2 3.42Å; F173-D200 CarbonylContact O-C 3.51Å; F173-D200 PolarHBondContact O-N 2.84Å; F173-P201 HydrophobicContact CD1-CB 4.11Å; F173-F205 HydrophobicContact CD1-CE1 4.29Å; F173-F205 AromaticContact CE1-CD1 3.89Å; F173-F205 HydrophobicContact CE1-CD1 3.89Å; F173-F205 AromaticContact CE1-CD2 3.94Å; F173-F205 HydrophobicContact CE1-CD2 3.94Å; F173-F205 AromaticContact CE1-CE1 3.55Å; F173-F205 HydrophobicContact CE1-CE1 3.55Å; F173-F205 AromaticContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CG 4.07Å; F173-F205 AromaticContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CE1-CZ 3.42Å; F173-F205 VanDerWaalsContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CZ-CD2 4.43Å; F173-F205 HydrophobicContact CZ-CE1 4.33Å; F173-F205 AromaticContact CZ-CE2 3.8Å; F173-F205 HydrophobicContact CZ-CE2 3.8Å; F173-F205 AromaticContact CZ-CZ 3.74Å; F173-F205 HydrophobicContact CZ-CZ 3.74Å; F173-L213 HydrophobicContact CE2-CD1 3.74Å; F173-L213 HydrophobicContact CE2-CD2 4.25Å; F173-L213 HydrophobicContact CZ-CD1 4.4Å; F173-L213 HydrophobicContact CZ-CD2 4.34Å
174F98.3Very high95.2Very high8 Ų826.9 Ų26.94%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-138.6133.4-174.5-64.7-86.6000111.2L140 L147 F153 L170 S176 V177 C196 G198 Y199L140-F174 HydrophobicContact CD1-CE2 3.67Å; L140-F174 HydrophobicContact CD1-CZ 4.39Å; L147-F174 HydrophobicContact CD1-CE1 4.02Å; L147-F174 HydrophobicContact CD1-CZ 3.91Å; F153-F174 HydrophobicContact CB-CE1 3.76Å; F153-F174 HydrophobicContact CB-CE2 4.15Å; F153-F174 HydrophobicContact CB-CZ 3.38Å; F153-F174 HydrophobicContact CD1-CE2 4.26Å; F153-F174 HydrophobicContact CD1-CZ 4.27Å; F153-F174 HydrophobicContact CG-CZ 4.15Å; L170-F174 WeakPolarHBondContact O-CD2 3.28Å; L170-F174 PolarHBondContact O-N 2.83Å; L170-F174 VanDerWaalsContact O-N 3.16Å; F174-S176 PolarHBondContact O-N 3.45Å; F174-V177 HydrophobicContact CB-CG2 4Å; F174-C196 HydrophobicContact CB-CB 3.92Å; F174-C196 HydrophobicContact CD1-CB 3.59Å; F174-C196 HydrophobicContact CD2-CB 3.61Å; F174-C196 HydrophobicContact CE1-CB 3.95Å; F174-C196 HydrophobicContact CE2-CB 3.98Å; F174-C196 HydrophobicContact CG-CB 3.43Å; F174-C196 VanDerWaalsContact CG-CB 3.43Å; F174-C196 HydrophobicContact CZ-CB 4.16Å; F174-G198 WeakPolarHBondContact CA-O 3.39Å; F174-Y199 HydrophobicContact CD1-CD2 4.32Å; F174-Y199 AromaticContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CG 4.18Å; F174-Y199 HydrophobicContact CE2-CD2 4.35Å; F174-Y199 AromaticContact CZ-CD2 3.8Å; F174-Y199 HydrophobicContact CZ-CD2 3.8Å
175S97.7Very high95.5Very high96 Ų9625.7 Ų25.767%0.67114%0.144SC*.EExtended strand (participates in β ladder)trans-65.6-28.1178.6-44.20000113.2Q197 G198S175-Q197 PolarHBondContact N-O 3.36Å; S175-G198 PolarHBondContact N-O 2.95Å; S175-G198 PolarHBondContact OG-O 3.23Å
176S97.9Very high95.8Very high48 Ų4829.9 Ų29.934%0.33616%0.158SC..EExtended strand (participates in β ladder)trans-132127177.4-179.80000110.3F174 C196 Q197F174-S176 PolarHBondContact O-N 3.45Å; S176-C196 CarbonylContact O-C 3.31Å; S176-C196 VanDerWaalsContact O-CA 3.27Å; S176-C196 WeakPolarHBondContact O-CA 3.43Å; S176-Q197 PolarHBondContact N-O 3.05Å; S176-Q197 VanDerWaalsContact N-O 3.07Å; S176-Q197 PolarHBondContact O-N 3.49Å
177V98.2Very high95.8Very high7 Ų735.6 Ų35.64%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-130.3125.1173.4179.10000107.7Y167 L170 Q171 F174 C196Y167-V177 HydrophobicContact CD1-CG1 4.38Å; L170-V177 HydrophobicContact CB-CG1 4.08Å; L170-V177 HydrophobicContact CB-CG2 3.86Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; Q171-V177 HydrophobicContact CB-CG2 4.49Å; Q171-V177 HydrophobicContact CG-CB 3.92Å; Q171-V177 HydrophobicContact CG-CG2 3.74Å; F174-V177 HydrophobicContact CB-CG2 4Å; V177-C196 HydrophobicContact CG2-CB 4.41Å
178L97.9Very high95.7Very high17 Ų1739.4 Ų39.49%0.08922%0.217CC..EExtended strand (participates in β ladder)trans-134.9159.3174.366.686.5000110.8F36 A180 A194 V195 P234 V236F36-L178 HydrophobicContact CD1-CD2 4.03Å; F36-L178 HydrophobicContact CE1-CD1 3.64Å; F36-L178 HydrophobicContact CE1-CD2 3.49Å; F36-L178 VanDerWaalsContact CE1-CD2 3.49Å; F36-L178 HydrophobicContact CE1-CG 4.22Å; F36-L178 HydrophobicContact CE2-CD1 4.1Å; F36-L178 HydrophobicContact CZ-CD1 3.37Å; F36-L178 HydrophobicContact CZ-CD2 4.15Å; F36-L178 HydrophobicContact CZ-CG 4.41Å; L178-A180 HydrophobicContact CD1-CB 3.98Å; L178-A194 WeakPolarHBondContact O-CA 3.33Å; L178-V195 HydrophobicContact CD1-CB 3.66Å; L178-V195 HydrophobicContact CD1-CG1 4.4Å; L178-V195 HydrophobicContact CD1-CG2 4.02Å; L178-V195 HydrophobicContact CG-CB 3.94Å; L178-V195 HydrophobicContact CG-CG1 4.47Å; L178-V195 PolarHBondContact N-O 3.23Å; L178-V195 PolarHBondContact O-N 2.89Å; L178-P234 HydrophobicContact CB-CB 4.27Å; L178-V236 HydrophobicContact CD1-CG2 4.36Å
179C98.1Very high95.7Very high0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-104.2124.2174-175.60000110.1R159 Y167 A192 F193 V233 P234 F235 V236R159-C179 PolarHBondContact NH1-SG 3.03Å; Y167-C179 HydrophobicContact CE1-CB 4.33Å; Y167-C179 WeakPolarHBondContact OH-CB 3.15Å; Y167-C179 PolarHBondContact OH-SG 3.48Å; Y167-C179 VanDerWaalsContact OH-SG 3.36Å; C179-A192 WeakPolarHBondContact SG-CB 3.4Å; C179-F193 CarbonylContact C-O 3.54Å; C179-F193 WeakPolarHBondContact CA-O 3.48Å; C179-V233 HydrophobicContact CB-CG1 4.35Å; C179-P234 PolarHBondContact N-O 3.21Å; C179-F235 HydrophobicContact CB-CD2 3.98Å; C179-F235 CarbonylContact O-C 3.55Å; C179-F235 VanDerWaalsContact O-CA 3.25Å; C179-F235 WeakPolarHBondContact O-CA 3.29Å; C179-V236 PolarHBondContact O-N 2.92Å
180A98.3Very high95.8Very high0 Ų042.6 Ų42.60%023%0.234CC..EExtended strand (participates in β ladder)trans-115.7139.7-17800000112.1L32 F36 L178 A192 F193 V195 V236L32-A180 HydrophobicContact CD2-CB 3.44Å; L32-A180 VanDerWaalsContact CD2-CB 3.44Å; F36-A180 HydrophobicContact CE2-CB 3.65Å; F36-A180 HydrophobicContact CZ-CB 3.92Å; L178-A180 HydrophobicContact CD1-CB 3.98Å; A180-A192 CarbonylContact O-C 3.53Å; A180-A192 WeakPolarHBondContact O-CB 3.15Å; A180-F193 PolarHBondContact N-O 2.86Å; A180-F193 PolarHBondContact O-N 3.27Å; A180-V195 HydrophobicContact CB-CG2 3.76Å; A180-V236 CarbonylContact C-O 3.53Å; A180-V236 VanDerWaalsContact CA-O 3.24Å; A180-V236 WeakPolarHBondContact CA-O 3.5Å
181K97.8Very high95.8Very high19 Ų1943.8 Ų43.88%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-123.4103175.8-177.377.9179.3-174.10109.7R186 S189 E191 A192 F235 V236 T237 C238K181-R186 VanDerWaalsContact CE-O 3.23Å; K181-R186 WeakPolarHBondContact CE-O 3.14Å; K181-R186 PolarHBondContact NZ-O 2.99Å; K181-S189 PolarHBondContact NZ-O 2.94Å; K181-E191 WeakPolarHBondContact CD-O 3.3Å; K181-E191 WeakPolarHBondContact CE-O 3.18Å; K181-E191 PolarHBondContact NZ-O 3.32Å; K181-A192 HydrophobicContact CD-CB 4.5Å; K181-F235 HydrophobicContact CB-CE1 4.17Å; K181-F235 HydrophobicContact CB-CE2 3.94Å; K181-F235 HydrophobicContact CB-CZ 3.4Å; K181-F235 VanDerWaalsContact CB-CZ 3.4Å; K181-F235 HydrophobicContact CG-CZ 4.14Å; K181-V236 PolarHBondContact N-O 2.84Å; K181-T237 WeakPolarHBondContact O-CA 3.35Å; K181-C238 PolarHBondContact O-N 3.28Å
182P97.8Very high95.9Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-65137.7173.7-21.934000111.3K28 Q31 L32 S184 S185 F193 C238K28-P182 HydrophobicContact CB-CB 4.21Å; K28-P182 HydrophobicContact CB-CG 4.08Å; K28-P182 HydrophobicContact CG-CB 4.45Å; Q31-P182 HydrophobicContact CB-CB 4.19Å; Q31-P182 VanDerWaalsContact OE1-CB 3.24Å; L32-P182 HydrophobicContact CD1-CG 4.17Å; L32-P182 HydrophobicContact CD2-CG 3.94Å; L32-P182 HydrophobicContact CG-CG 3.84Å; P182-S184 PolarHBondContact O-N 3.4Å; P182-S185 WeakPolarHBondContact O-CA 3.27Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.74Å; P182-S185 PolarHBondContact O-OG 2.95Å; P182-F193 HydrophobicContact CG-CD2 3.85Å; P182-F193 HydrophobicContact CG-CE2 3.99Å; P182-C238 CarbonylContact C-O 3.56Å; P182-C238 WeakPolarHBondContact CA-O 3.35Å
183R95.5Very high96.2Very high75 Ų7536.6 Ų36.628%0.28320%0.201SC..THydrogen-bonded Turntrans-59.9-25.8174.3-72.4-168.274.3126.81.4113.2Q31 S185 C238 D240 S246Q31-R183 VanDerWaalsContact OE1-N 3.13Å; R183-S185 PolarHBondContact O-N 2.75Å; R183-C238 PolarHBondContact N-O 3.18Å; R183-D240 WeakPolarHBondContact CD-O 3.47Å; R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.38Å; R183-S246 PolarHBondContact O-OG 2.77Å
184S96.4Very high96.3Very high0 Ų036.4 Ų36.40%020%0.201CC..THydrogen-bonded Turntrans-68.8-14.6172.4590000113.9Y12 R24 K28 Q31 P182Y12-S184 VanDerWaalsContact CE2-CA 3.44Å; R24-S184 PolarHBondContact NH2-O 3.01Å; K28-S184 VanDerWaalsContact CA-OG 3.3Å; K28-S184 WeakPolarHBondContact CA-OG 3.25Å; K28-S184 WeakPolarHBondContact CG-OG 2.98Å; K28-S184 PolarHBondContact N-OG 3.35Å; Q31-S184 VanDerWaalsContact OE1-CB 3.27Å; Q31-S184 PolarHBondContact OE1-OG 2.86Å; P182-S184 PolarHBondContact O-N 3.4Å
185S95.7Very high96.3Very high8 Ų836 Ų366%0.05620%0.199CC..SBendtrans-86.7140.7166.6-510000109.6P182 R183 S246P182-S185 WeakPolarHBondContact O-CA 3.27Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.74Å; P182-S185 PolarHBondContact O-OG 2.95Å; R183-S185 PolarHBondContact O-N 2.75Å; S185-S246 VanDerWaalsContact C-OG 3.23Å; S185-S246 PolarHBondContact O-OG 3.17Å
186R93.8Very high96.3Very high114 Ų11431.5 Ų31.543%0.4317%0.167SC..  trans-62.2135.8177.8-71.9-173.7176.5175.41.1111.4K181 S188 S189 S246 D247K181-R186 VanDerWaalsContact CE-O 3.23Å; K181-R186 WeakPolarHBondContact CE-O 3.14Å; K181-R186 PolarHBondContact NZ-O 2.99Å; R186-S188 PolarHBondContact O-N 3.48Å; R186-S189 PolarHBondContact O-N 3.24Å; R186-S246 VanDerWaalsContact CA-OG 3.28Å; R186-S246 WeakPolarHBondContact CA-OG 3.36Å; R186-S246 PolarHBondContact N-OG 3.24Å; R186-D247 WeakPolarHBondContact CB-OD1 3.13Å
187N92Very high96.4Very high136 Ų13632 Ų3273%0.72716%0.164SC*.THydrogen-bonded Turntrans-67.3-30.8174.5-169.254.9000111.4S189 D247N187-S189 PolarHBondContact O-N 3.29Å; N187-D247 WeakPolarHBondContact CA-OD2 3.44Å; N187-D247 WeakPolarHBondContact CB-OD2 3.39Å; N187-D247 PolarHBondContact N-OD2 3.3Å
188S90.9Very high96.4Very high92 Ų9232.6 Ų32.664%0.64317%0.171SC*.THydrogen-bonded Turntrans-65.7-13.8173.752.40000114.7R186 D247R186-S188 PolarHBondContact O-N 3.48Å; S188-D247 PolarHBondContact OG-OD1 3.05Å
189S92Very high96.4Very high46 Ų4632.2 Ų32.232%0.32217%0.169SC..SBendtrans-95.1140.6179169.90000111.8K181 R186 N187 E191K181-S189 PolarHBondContact NZ-O 2.94Å; R186-S189 PolarHBondContact O-N 3.24Å; N187-S189 PolarHBondContact O-N 3.29Å; S189-E191 PolarHBondContact O-N 2.97Å; S189-E191 WeakPolarHBondContact OG-CB 3.41Å; S189-E191 PolarHBondContact OG-N 2.81Å
190I93.4Very high96.4Very high72 Ų7237.3 Ų37.337%0.36920%0.196SC..  trans-72.5-4.8170.865.7173.9000113.4E129 F158 R159 A192E129-I190 HydrophobicContact CG-CD1 4.16Å; F158-I190 HydrophobicContact CB-CD1 3.78Å; F158-I190 HydrophobicContact CB-CG1 4.03Å; F158-I190 HydrophobicContact CD1-CG1 4.38Å; F158-I190 HydrophobicContact CD2-CD1 4.23Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.09Å; R159-I190 PolarHBondContact N-O 2.8Å; I190-A192 PolarHBondContact O-N 3Å
191E95.2Very high96.3Very high27 Ų2739.1 Ų39.113%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-58.7131.5176.6-176.5-174.8122.700111.4K28 K156 I157 F158 K181 S189 F193K28-E191 WeakPolarHBondContact CE-OE1 3.3Å; K28-E191 IonicContact NZ-OE1 2.77Å; K28-E191 PolarHBondContact NZ-OE1 3.32Å; K28-E191 IonicContact NZ-OE2 2.7Å; K156-E191 HydrophobicContact CD-CG 3.79Å; K156-E191 VanDerWaalsContact CE-CD 3.46Å; K156-E191 WeakPolarHBondContact CE-OE2 3.44Å; K156-E191 HydrophobicContact CG-CG 3.7Å; K156-E191 IonicContact NZ-OE2 3.11Å; I157-E191 WeakPolarHBondContact O-CA 3.43Å; F158-E191 HydrophobicContact CD1-CB 4.43Å; F158-E191 HydrophobicContact CE1-CB 4.38Å; K181-E191 WeakPolarHBondContact CD-O 3.3Å; K181-E191 WeakPolarHBondContact CE-O 3.18Å; K181-E191 PolarHBondContact NZ-O 3.32Å; S189-E191 PolarHBondContact O-N 2.97Å; S189-E191 WeakPolarHBondContact OG-CB 3.41Å; S189-E191 PolarHBondContact OG-N 2.81Å; E191-F193 HydrophobicContact CG-CE2 4.49Å
192A97.5Very high96.1Very high0 Ų041.1 Ų41.10%022%0.223CC..EExtended strand (participates in β ladder)trans-143.3-173.3166.100000109.1K156 I157 R159 C179 A180 K181 I190K156-A192 WeakPolarHBondContact CA-O 3.26Å; I157-A192 HydrophobicContact CG1-CB 4.12Å; I157-A192 PolarHBondContact N-O 3.26Å; I157-A192 PolarHBondContact O-N 3.47Å; I157-A192 VanDerWaalsContact O-O 3.09Å; R159-A192 HydrophobicContact CG-CB 3.82Å; C179-A192 WeakPolarHBondContact SG-CB 3.4Å; A180-A192 CarbonylContact O-C 3.53Å; A180-A192 WeakPolarHBondContact O-CB 3.15Å; K181-A192 HydrophobicContact CD-CB 4.5Å; I190-A192 PolarHBondContact O-N 3Å
193F98.6Very high96Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-126.3127.2178.3-67.5-93.1000109.6K28 L32 W55 D116 V154 A155 K156 C179 A180 P182 E191K28-F193 HydrophobicContact CB-CE2 4.47Å; K28-F193 HydrophobicContact CB-CZ 4.41Å; K28-F193 HydrophobicContact CD-CE2 3.92Å; K28-F193 HydrophobicContact CD-CZ 3.65Å; L32-F193 HydrophobicContact CD1-CB 4.15Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.2Å; L32-F193 HydrophobicContact CD1-CG 3.85Å; L32-F193 HydrophobicContact CD2-CB 4.3Å; W55-F193 AromaticContact CH2-CD1 3.74Å; W55-F193 HydrophobicContact CH2-CD1 3.74Å; W55-F193 AromaticContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CZ 4.26Å; W55-F193 HydrophobicContact CZ2-CD1 4.34Å; W55-F193 AromaticContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CZ 4.07Å; W55-F193 HydrophobicContact CZ3-CE1 4.46Å; D116-F193 HydrophobicContact CB-CE1 4.49Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.42Å; D116-F193 VanDerWaalsContact OD1-CZ 3.27Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.46Å; V154-F193 HydrophobicContact CG1-CB 4.4Å; V154-F193 HydrophobicContact CG1-CD1 4.4Å; A155-F193 CarbonylContact O-C 3.56Å; A155-F193 VanDerWaalsContact O-CA 3.25Å; A155-F193 WeakPolarHBondContact O-CA 3.35Å; K156-F193 HydrophobicContact CB-CD1 4.27Å; K156-F193 HydrophobicContact CB-CE1 3.88Å; K156-F193 HydrophobicContact CB-CZ 4.42Å; K156-F193 HydrophobicContact CG-CE1 4.45Å; C179-F193 CarbonylContact C-O 3.54Å; C179-F193 WeakPolarHBondContact CA-O 3.48Å; A180-F193 PolarHBondContact N-O 2.86Å; A180-F193 PolarHBondContact O-N 3.27Å; P182-F193 HydrophobicContact CG-CD2 3.85Å; P182-F193 HydrophobicContact CG-CE2 3.99Å; E191-F193 HydrophobicContact CG-CE2 4.49Å
194A98.4Very high95.9Very high0 Ų050.8 Ų50.80%029%0.291CS..EExtended strand (participates in β ladder)trans-73.3124.816200000107.8V154 A155 I157 L170 L178V154-A194 VanDerWaalsContact CA-O 3.3Å; V154-A194 WeakPolarHBondContact CA-O 3.41Å; A155-A194 PolarHBondContact N-O 3.32Å; A155-A194 PolarHBondContact O-N 3.45Å; I157-A194 HydrophobicContact CD1-CB 4.4Å; I157-A194 HydrophobicContact CG2-CB 3.9Å; L170-A194 HydrophobicContact CD1-CB 3.7Å; L178-A194 WeakPolarHBondContact O-CA 3.33Å
195V98.7Very high95.7Very high0 Ų054.3 Ų54.30%031%0.306CS..EExtended strand (participates in β ladder)trans-111.9111.4173177.90000106.6L32 F36 L38 V154 L178 A180 Q197L32-V195 HydrophobicContact CD2-CG2 4.13Å; F36-V195 HydrophobicContact CB-CG1 4.43Å; F36-V195 HydrophobicContact CD1-CG1 4.48Å; F36-V195 HydrophobicContact CD2-CG1 4.04Å; F36-V195 HydrophobicContact CD2-CG2 4.02Å; F36-V195 HydrophobicContact CE2-CG1 4.48Å; F36-V195 HydrophobicContact CE2-CG2 3.88Å; F36-V195 HydrophobicContact CG-CG1 4.05Å; L38-V195 HydrophobicContact CD2-CG1 4.16Å; V154-V195 HydrophobicContact CG1-CG2 4.2Å; V154-V195 HydrophobicContact CG2-CG1 4.23Å; V154-V195 HydrophobicContact CG2-CG2 4.39Å; L178-V195 HydrophobicContact CD1-CB 3.66Å; L178-V195 HydrophobicContact CD1-CG1 4.4Å; L178-V195 HydrophobicContact CD1-CG2 4.02Å; L178-V195 HydrophobicContact CG-CB 3.94Å; L178-V195 HydrophobicContact CG-CG1 4.47Å; L178-V195 PolarHBondContact N-O 3.23Å; L178-V195 PolarHBondContact O-N 2.89Å; A180-V195 HydrophobicContact CB-CG2 3.76Å; V195-Q197 HydrophobicContact CG1-CG 4.36Å
196C98.7Very high95.4Very high0 Ų060.6 Ų60.60%034%0.337CS..EExtended strand (participates in β ladder)trans-114126.7-176.1-41.70000108.6C152 F153 F174 S176 V177C152-C196 CarbonylContact C-O 3.59Å; C152-C196 WeakPolarHBondContact CA-O 3.43Å; F153-C196 HydrophobicContact CB-CB 4.2Å; F153-C196 PolarHBondContact N-O 3.19Å; F153-C196 WeakPolarHBondContact O-CA 3.45Å; F153-C196 WeakPolarHBondContact O-CB 3.28Å; F153-C196 PolarHBondContact O-N 2.89Å; F174-C196 HydrophobicContact CB-CB 3.92Å; F174-C196 HydrophobicContact CD1-CB 3.59Å; F174-C196 HydrophobicContact CD2-CB 3.61Å; F174-C196 HydrophobicContact CE1-CB 3.95Å; F174-C196 HydrophobicContact CE2-CB 3.98Å; F174-C196 HydrophobicContact CG-CB 3.43Å; F174-C196 VanDerWaalsContact CG-CB 3.43Å; F174-C196 HydrophobicContact CZ-CB 4.16Å; S176-C196 CarbonylContact O-C 3.31Å; S176-C196 VanDerWaalsContact O-CA 3.27Å; S176-C196 WeakPolarHBondContact O-CA 3.43Å; V177-C196 HydrophobicContact CG2-CB 4.41Å
197Q98.5Very high95.2Very high59 Ų5957 Ų5728%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-128147.1-177.4-60.1-177.6-60.500109.9S175 S176 V195S175-Q197 PolarHBondContact N-O 3.36Å; S176-Q197 PolarHBondContact N-O 3.05Å; S176-Q197 VanDerWaalsContact N-O 3.07Å; S176-Q197 PolarHBondContact O-N 3.49Å; V195-Q197 HydrophobicContact CG1-CG 4.36Å
198G98.3Very high94.9Very high19 Ų1953.3 Ų53.320%0.19631%0.309CS..EExtended strand (participates in β ladder)trans74.461.8-179.400000111.5G151 F174 S175 D200G151-G198 PolarHBondContact O-N 2.82Å; F174-G198 WeakPolarHBondContact CA-O 3.39Å; S175-G198 PolarHBondContact N-O 2.95Å; S175-G198 PolarHBondContact OG-O 3.23Å; G198-D200 PolarHBondContact O-N 2.97Å; G198-D200 VanDerWaalsContact O-N 3.08Å
199Y98.5Very high94.1Very high10 Ų1050.7 Ų50.74%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-53.7115.9173.1-179.6-120.5000110.3T144 L147 K148 P149 G150 G151 F173 F174 P201T144-Y199 VanDerWaalsContact CA-OH 3.26Å; T144-Y199 WeakPolarHBondContact CA-OH 3.37Å; T144-Y199 WeakPolarHBondContact CB-OH 3.15Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 2.78Å; T144-Y199 VanDerWaalsContact O-OH 3.1Å; L147-Y199 HydrophobicContact CB-CD1 3.76Å; L147-Y199 HydrophobicContact CB-CE1 4.11Å; L147-Y199 HydrophobicContact CB-CG 4.09Å; L147-Y199 HydrophobicContact CD1-CD2 4.46Å; L147-Y199 HydrophobicContact CD1-CG 4.33Å; K148-Y199 WeakPolarHBondContact O-CD1 3.38Å; P149-Y199 CarbonylContact C-O 3.47Å; P149-Y199 WeakPolarHBondContact CA-O 3.28Å; G150-Y199 PolarHBondContact N-O 2.96Å; G151-Y199 PolarHBondContact O-N 2.81Å; F173-Y199 HydrophobicContact CB-CD2 4.29Å; F173-Y199 HydrophobicContact CB-CE2 4.08Å; F173-Y199 HydrophobicContact CD1-CE2 4.44Å; F173-Y199 CarbonylContact O-C 3.58Å; F173-Y199 WeakPolarHBondContact O-CA 3.37Å; F173-Y199 VanDerWaalsContact O-CD2 3.29Å; F173-Y199 WeakPolarHBondContact O-CD2 3.42Å; F174-Y199 HydrophobicContact CD1-CD2 4.32Å; F174-Y199 AromaticContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CG 4.18Å; F174-Y199 HydrophobicContact CE2-CD2 4.35Å; F174-Y199 AromaticContact CZ-CD2 3.8Å; F174-Y199 HydrophobicContact CZ-CD2 3.8Å; Y199-P201 HydrophobicContact CE1-CG 3.86Å; Y199-P201 HydrophobicContact CE2-CB 4.2Å; Y199-P201 HydrophobicContact CE2-CG 4.29Å
200D97.9Very high93.3Very high106 Ų10652.7 Ų52.757%0.56730%0.302SS*.  trans-14475.3-172.4-170.130.4000108.3F173 G198F173-D200 CarbonylContact O-C 3.51Å; F173-D200 PolarHBondContact O-N 2.84Å; G198-D200 PolarHBondContact O-N 2.97Å; G198-D200 VanDerWaalsContact O-N 3.08Å
201P95.8Very high92.2Very high38 Ų3856.4 Ų56.425%0.24732%0.315CS..PPolyproline II helixtrans-67.4149.3-179.229-34.9000110.9F173 Y199 F205F173-P201 HydrophobicContact CD1-CB 4.11Å; Y199-P201 HydrophobicContact CE1-CG 3.86Å; Y199-P201 HydrophobicContact CE2-CB 4.2Å; Y199-P201 HydrophobicContact CE2-CG 4.29Å; P201-F205 HydrophobicContact CB-CB 4.33Å; P201-F205 HydrophobicContact CB-CD1 3.85Å; P201-F205 HydrophobicContact CB-CG 4.4Å
202P94.7Very high90.7Very high62 Ų6259 Ų5940%0.40334%0.335SS..PPolyproline II helixtrans-55.2148.5178.8-25.634.2000113.1V172 G204 F205V172-P202 HydrophobicContact CG1-CG 3.84Å; P202-G204 PolarHBondContact O-N 3.29Å; P202-F205 HydrophobicContact CB-CB 4.38Å; P202-F205 WeakPolarHBondContact O-CB 3.48Å; P202-F205 PolarHBondContact O-N 3.42Å
203E94.6Very high89.3Confident206 Ų20661.4 Ų61.496%0.96335%0.347SS*.THydrogen-bonded Turntrans-57.1128.7178.2-171.2177.6-177.100111.1F205E203-F205 VanDerWaalsContact C-N 3.26Å; E203-F205 PolarHBondContact O-N 3.5Å
204G93.5Very high87.5Confident72 Ų7263.4 Ų63.474%0.74236%0.358SS*.THydrogen-bonded Turntrans77.73.3-17700000115P202 I206P202-G204 PolarHBondContact O-N 3.29Å; G204-I206 PolarHBondContact O-N 3.45Å
205F92.3Very high85.7Confident74 Ų7470.8 Ų70.833%0.32540%0.397SS..  trans-62.4127.4173.2177.6-103.8000111T144 F173 P201 P202 E203 P207T144-F205 HydrophobicContact CG2-CE1 4.25Å; F173-F205 HydrophobicContact CD1-CE1 4.29Å; F173-F205 AromaticContact CE1-CD1 3.89Å; F173-F205 HydrophobicContact CE1-CD1 3.89Å; F173-F205 AromaticContact CE1-CD2 3.94Å; F173-F205 HydrophobicContact CE1-CD2 3.94Å; F173-F205 AromaticContact CE1-CE1 3.55Å; F173-F205 HydrophobicContact CE1-CE1 3.55Å; F173-F205 AromaticContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CG 4.07Å; F173-F205 AromaticContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CE1-CZ 3.42Å; F173-F205 VanDerWaalsContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CZ-CD2 4.43Å; F173-F205 HydrophobicContact CZ-CE1 4.33Å; F173-F205 AromaticContact CZ-CE2 3.8Å; F173-F205 HydrophobicContact CZ-CE2 3.8Å; F173-F205 AromaticContact CZ-CZ 3.74Å; F173-F205 HydrophobicContact CZ-CZ 3.74Å; P201-F205 HydrophobicContact CB-CB 4.33Å; P201-F205 HydrophobicContact CB-CD1 3.85Å; P201-F205 HydrophobicContact CB-CG 4.4Å; P202-F205 HydrophobicContact CB-CB 4.38Å; P202-F205 WeakPolarHBondContact O-CB 3.48Å; P202-F205 PolarHBondContact O-N 3.42Å; E203-F205 VanDerWaalsContact C-N 3.26Å; E203-F205 PolarHBondContact O-N 3.5Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.33Å; F205-P207 HydrophobicContact CE1-CG 3.86Å
206I91Very high84Confident139 Ų13977 Ų7771%0.71343%0.426SS*.  trans-114.2117.1174-59.6174.1000107.1G204 D208G204-I206 PolarHBondContact O-N 3.45Å; I206-D208 PolarHBondContact O-N 3.01Å
207P88.5Confident82.4Confident38 Ų3883 Ų8325%0.24747%0.468CS..  trans-53.2126174.3-30.337.3000112.6T144 H145 F205T144-P207 WeakPolarHBondContact O-CG 3.42Å; H145-P207 WeakPolarHBondContact CE1-CB 3.27Å; H145-P207 PolarHBondContact CE1-O 3.46Å; H145-P207 WeakPolarHBondContact ND1-CB 2.79Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.33Å; F205-P207 HydrophobicContact CE1-CG 3.86Å
208D85.3Confident81.1Confident60 Ų6082.8 Ų82.832%0.32147%0.465SS..  trans-137.9111.4-178-1751000110.9N141 I206 S210N141-D208 PolarHBondContact ND2-O 3.08Å; I206-D208 PolarHBondContact O-N 3.01Å; D208-S210 PolarHBondContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 3.38Å; D208-S210 PolarHBondContact OD1-OG 2.86Å; D208-S210 PolarHBondContact OD2-OG 3.36Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å
209L75.6Confident80Confident36 Ų3686.3 Ų86.319%0.18848%0.48CS..THydrogen-bonded Turntrans-72.2-11.1176.8-84.9151.8000114.2L95 A98 N141 I142L95-L209 VanDerWaalsContact CA-CD1 3.47Å; L95-L209 HydrophobicContact CB-CD1 3.76Å; L95-L209 HydrophobicContact CD1-CD1 3.7Å; L95-L209 HydrophobicContact CG-CD1 4.33Å; A98-L209 HydrophobicContact CB-CD1 4.35Å; N141-L209 HydrophobicContact CB-CD2 3.91Å; N141-L209 WeakPolarHBondContact ND2-CA 3.14Å; I142-L209 HydrophobicContact CD1-CD1 4.41Å
210S75.1Confident78.8Confident89 Ų8989.5 Ų89.562%0.62250%0.501SS*.THydrogen-bonded Turntrans-85.2-12.4179.572.70000114.4D208 P212D208-S210 PolarHBondContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 3.38Å; D208-S210 PolarHBondContact OD1-OG 2.86Å; D208-S210 PolarHBondContact OD2-OG 3.36Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å; S210-P212 WeakPolarHBondContact O-CD 3.38Å
211K70.6Confident77.9Confident149 Ų14989.5 Ų89.565%0.64850%0.501SS*.SBendtrans-116.891.1-177.5-66.7-179.6-173.7175.20111.1L213K211-L213 PolarHBondContact O-N 3.31Å
212P63.3Low77.1Confident82 Ų8291.4 Ų91.453%0.53251%0.506SS..  trans-65.1135175.125.4-31.2000110.8S210 L214S210-P212 WeakPolarHBondContact O-CD 3.38Å; P212-L214 PolarHBondContact O-N 3.38Å
213L67.5Low76.3Confident50 Ų5090 Ų9026%0.26250%0.495SS..THydrogen-bonded Turntrans-64.9-5.7-178.5-69.8165.7000114.6L137 L140 Q169 F173 K211 H216L137-L213 HydrophobicContact CD2-CB 4.29Å; L137-L213 HydrophobicContact CD2-CD1 4.22Å; L140-L213 HydrophobicContact CD2-CD1 3.79Å; Q169-L213 PolarHBondContact NE2-O 2.89Å; F173-L213 HydrophobicContact CE2-CD1 3.74Å; F173-L213 HydrophobicContact CE2-CD2 4.25Å; F173-L213 HydrophobicContact CZ-CD1 4.4Å; F173-L213 HydrophobicContact CZ-CD2 4.34Å; K211-L213 PolarHBondContact O-N 3.31Å; L213-H216 PolarHBondContact O-CD2 3.05Å; L213-H216 VanDerWaalsContact O-CD2 3.25Å
214L61.4Low75.6Confident43 Ų4386.8 Ų86.823%0.22548%0.48CS..THydrogen-bonded Turntrans-81.1-12.6-172.9-91.4165.5000115.5L137 L165 P212 H216L137-L214 HydrophobicContact CD1-CB 4.34Å; L137-L214 HydrophobicContact CD1-CD1 3.2Å; L137-L214 HydrophobicContact CD1-CD2 4.12Å; L137-L214 HydrophobicContact CD1-CG 3.25Å; L165-L214 HydrophobicContact CD2-CD2 4.03Å; P212-L214 PolarHBondContact O-N 3.38Å; L214-H216 PolarHBondContact O-N 2.89Å
215D59.6Low75.2Confident155 Ų15586.2 Ų86.283%0.82946%0.46SS*.  trans-76.716.6-173.8-149.521.3000113.7
216H63.2Low74.8Confident129 Ų12988.1 Ų88.160%0.59747%0.473SS*.SBendtrans-84.4131.7173.8-66.6-52000110.3L213 L214 Y218L213-H216 PolarHBondContact O-CD2 3.05Å; L213-H216 VanDerWaalsContact O-CD2 3.25Å; L214-H216 PolarHBondContact O-N 2.89Å; H216-Y218 PolarHBondContact O-N 2.86Å
217S65.3Low74.6Confident127 Ų12784.2 Ų84.289%0.88847%0.467SS*.  trans-61.2101.6168.157.50000109
218Y71.6Confident74.5Confident54 Ų5489.1 Ų89.121%0.21250%0.499CS..  trans-90.5116.4174.5-175.4-107.6000109.2T164 L165 H216 P220 F222 N223T164-Y218 PolarHBondContact OG1-OH 3.25Å; L165-Y218 HydrophobicContact CB-CD1 4.18Å; L165-Y218 HydrophobicContact CB-CD2 3.84Å; L165-Y218 HydrophobicContact CB-CE1 4.23Å; L165-Y218 HydrophobicContact CB-CE2 3.87Å; L165-Y218 HydrophobicContact CB-CG 3.99Å; L165-Y218 HydrophobicContact CD1-CD2 3.62Å; L165-Y218 HydrophobicContact CD1-CE2 4.29Å; L165-Y218 HydrophobicContact CD1-CG 4.01Å; L165-Y218 HydrophobicContact CD2-CD1 4.42Å; L165-Y218 HydrophobicContact CD2-CD2 4.42Å; L165-Y218 HydrophobicContact CD2-CG 3.99Å; L165-Y218 HydrophobicContact CG-CD2 4.14Å; L165-Y218 HydrophobicContact CG-CG 4.2Å; H216-Y218 PolarHBondContact O-N 2.86Å; Y218-P220 WeakPolarHBondContact O-CD 3.14Å; Y218-F222 HydrophobicContact CE2-CB 4.08Å; Y218-F222 HydrophobicContact CE2-CD1 4.01Å; Y218-F222 HydrophobicContact CE2-CG 4.14Å; Y218-F222 WeakPolarHBondContact OH-CD1 3.41Å; Y218-N223 PolarHBondContact OH-ND2 3.38Å; Y218-N223 PolarHBondContact OH-OD1 2.92Å; Y218-N223 VanDerWaalsContact OH-OD1 3.08Å
219D75.6Confident74.5Confident94 Ų9490.2 Ų90.250%0.50351%0.508SS..  trans-79.1116.3173.4-171.7-12.6000109.1D221 F222D219-D221 PolarHBondContact O-N 3.3Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D219-D221 WeakPolarHBondContact OD1-CB 3.22Å; D219-D221 PolarHBondContact OD1-N 3.34Å; D219-F222 WeakPolarHBondContact O-CB 3Å; D219-F222 PolarHBondContact O-N 3.48Å
220P72.7Confident75.1Confident76 Ų7694.4 Ų94.449%0.49452%0.521SS..G310 helixtrans-60.9-20.1176.724.3-32.6000113.1Y218 F222 N223Y218-P220 WeakPolarHBondContact O-CD 3.14Å; P220-F222 PolarHBondContact O-N 3.47Å; P220-N223 WeakPolarHBondContact O-CB 3.39Å; P220-N223 PolarHBondContact O-N 3Å; P220-N223 VanDerWaalsContact O-N 3.1Å
221D79.4Confident75.5Confident106 Ų10695 Ų9557%0.56752%0.517SS*.G310 helixtrans-65.6-16.5172.8-71.3-16.3000112.2D219 N223 Q224 L225D219-D221 PolarHBondContact O-N 3.3Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D219-D221 WeakPolarHBondContact OD1-CB 3.22Å; D219-D221 PolarHBondContact OD1-N 3.34Å; D221-N223 PolarHBondContact O-N 3.05Å; D221-Q224 WeakPolarHBondContact O-CA 3.39Å; D221-Q224 WeakPolarHBondContact O-CB 3.21Å; D221-Q224 PolarHBondContact O-N 3.21Å; D221-L225 PolarHBondContact O-N 2.89Å
222F77.6Confident76.4Confident78 Ų7894 Ų9434%0.34252%0.517SS..G310 helixtrans-56.1-32.3170.1-171.1-91.3000112.1Y218 D219 P220 Q224 L225Y218-F222 HydrophobicContact CE2-CB 4.08Å; Y218-F222 HydrophobicContact CE2-CD1 4.01Å; Y218-F222 HydrophobicContact CE2-CG 4.14Å; Y218-F222 WeakPolarHBondContact OH-CD1 3.41Å; D219-F222 WeakPolarHBondContact O-CB 3Å; D219-F222 PolarHBondContact O-N 3.48Å; P220-F222 PolarHBondContact O-N 3.47Å; F222-Q224 PolarHBondContact O-N 3.15Å; F222-L225 HydrophobicContact CD2-CD1 3.66Å; F222-L225 HydrophobicContact CE2-CD1 3.74Å; F222-L225 HydrophobicContact CG-CD1 4.16Å; F222-L225 HydrophobicContact CZ-CD1 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.3Å; F222-L225 WeakPolarHBondContact O-CG 3.32Å; F222-L225 PolarHBondContact O-N 2.93Å
223N77.8Confident77.8Confident34 Ų3490.9 Ų90.918%0.18250%0.497CS..G310 helixtrans-72.3-14.8175.5-70.9-38.4000113.9T164 Y218 P220 D221T164-N223 VanDerWaalsContact CB-OD1 3.26Å; T164-N223 WeakPolarHBondContact CB-OD1 3.18Å; T164-N223 VanDerWaalsContact CG2-OD1 3.23Å; T164-N223 WeakPolarHBondContact CG2-OD1 3.33Å; T164-N223 PolarHBondContact OG1-OD1 3.04Å; Y218-N223 PolarHBondContact OH-ND2 3.38Å; Y218-N223 PolarHBondContact OH-OD1 2.92Å; Y218-N223 VanDerWaalsContact OH-OD1 3.08Å; P220-N223 WeakPolarHBondContact O-CB 3.39Å; P220-N223 PolarHBondContact O-N 3Å; P220-N223 VanDerWaalsContact O-N 3.1Å; D221-N223 PolarHBondContact O-N 3.05Å
224Q81.3Confident79.2Confident138 Ų13892.1 Ų92.165%0.64551%0.508SS*.G310 helixtrans-95.40.2178.3-50.5-60.1-2200112.5D221 F222D221-Q224 WeakPolarHBondContact O-CA 3.39Å; D221-Q224 WeakPolarHBondContact O-CB 3.21Å; D221-Q224 PolarHBondContact O-N 3.21Å; F222-Q224 PolarHBondContact O-N 3.15Å
225L83.7Confident80.9Confident59 Ų5994.5 Ų94.531%0.30952%0.516SS..  trans-58.6141.8172.5-70176.3000110.4D221 F222 R230D221-L225 PolarHBondContact O-N 2.89Å; F222-L225 HydrophobicContact CD2-CD1 3.66Å; F222-L225 HydrophobicContact CE2-CD1 3.74Å; F222-L225 HydrophobicContact CG-CD1 4.16Å; F222-L225 HydrophobicContact CZ-CD1 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.3Å; F222-L225 WeakPolarHBondContact O-CG 3.32Å; F222-L225 PolarHBondContact O-N 2.93Å; L225-R230 HydrophobicContact CB-CB 4.42Å; L225-R230 VanDerWaalsContact O-CB 3.3Å; L225-R230 WeakPolarHBondContact O-CB 3.31Å; L225-R230 WeakPolarHBondContact O-CD 3.47Å; L225-R230 WeakPolarHBondContact O-CG 3.46Å
226D84.7Confident82.6Confident115 Ų11588.8 Ų88.862%0.61549%0.487SS*.  trans-127.5161.1-175.2-80.2-34.6000112.7T229 R230D226-T229 PolarHBondContact O-N 3.36Å; D226-T229 PolarHBondContact O-OG1 2.85Å; D226-R230 IonicContact OD1-NH1 3.58Å
227G87.4Confident84.2Confident57 Ų5787.2 Ų87.259%0.58849%0.487SS*.G310 helixtrans58.3-135.8176.400000112.9T229 R230G227-T229 PolarHBondContact O-N 3.2Å; G227-T229 VanDerWaalsContact O-N 3.17Å; G227-R230 PolarHBondContact O-N 3.28Å
228P86.1Confident85.7Confident140 Ų14081.2 Ų81.291%0.90944%0.444SS*.G310 helixtrans-69-12.5-173.729.6-35.8000114.2
229T85.6Confident86.6Confident84 Ų8479.7 Ų79.752%0.51545%0.445SS..G310 helixtrans-86.8-15.6177.664.10000112.9D226 G227D226-T229 PolarHBondContact O-N 3.36Å; D226-T229 PolarHBondContact O-OG1 2.85Å; G227-T229 PolarHBondContact O-N 3.2Å; G227-T229 VanDerWaalsContact O-N 3.17Å
230R87.1Confident87.3Confident124 Ų12478.8 Ų78.847%0.46844%0.44SS..  trans-85117.5-179.5-169.1-175.6-177.3148.1-0.7110.8L225 D226 G227 I232L225-R230 HydrophobicContact CB-CB 4.42Å; L225-R230 VanDerWaalsContact O-CB 3.3Å; L225-R230 WeakPolarHBondContact O-CB 3.31Å; L225-R230 WeakPolarHBondContact O-CD 3.47Å; L225-R230 WeakPolarHBondContact O-CG 3.46Å; D226-R230 IonicContact OD1-NH1 3.58Å; G227-R230 PolarHBondContact O-N 3.28Å; R230-I232 HydrophobicContact CG-CG1 4.14Å
231I84.2Confident88Confident102 Ų10282.2 Ų82.252%0.52345%0.454SS..  trans-86.8117.9170.9-58.9177.4000108.6
232I88.9Confident88.5Confident126 Ų12682 Ų8265%0.64646%0.46SS*.  trans-105.6113.8175.1-58.3177.1000108.3R230 P234R230-I232 HydrophobicContact CG-CG1 4.14Å; I232-P234 WeakPolarHBondContact O-CD 3.44Å
233V93.2Very high89.1Confident18 Ų1880 Ų8011%0.10946%0.456CS..  trans-70.2125.1169.9172.30000109.3Y167 C179 F235Y167-V233 HydrophobicContact CD1-CG1 4.34Å; Y167-V233 HydrophobicContact CD1-CG2 4.41Å; Y167-V233 HydrophobicContact CD2-CB 3.72Å; Y167-V233 HydrophobicContact CD2-CG1 4.16Å; Y167-V233 HydrophobicContact CD2-CG2 3.5Å; Y167-V233 HydrophobicContact CE1-CG1 4.36Å; Y167-V233 HydrophobicContact CE2-CB 3.96Å; Y167-V233 HydrophobicContact CE2-CG1 4.18Å; Y167-V233 HydrophobicContact CE2-CG2 4.26Å; Y167-V233 HydrophobicContact CG-CB 4.14Å; Y167-V233 HydrophobicContact CG-CG1 4.26Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å; C179-V233 HydrophobicContact CB-CG1 4.35Å; V233-F235 PolarHBondContact O-N 3.39Å
234P96.4Very high89.8Confident76 Ų7681 Ų8149%0.49446%0.458SS..  trans-56.6140.3178.7-25.434.5000111.8L178 C179 I232L178-P234 HydrophobicContact CB-CB 4.27Å; C179-P234 PolarHBondContact N-O 3.21Å; I232-P234 WeakPolarHBondContact O-CD 3.44Å
235F96.5Very high90.3Very high92 Ų9277 Ų7740%0.40444%0.441SS..EExtended strand (participates in β ladder)trans-111.1123.4172.9-175.5-96.3000110.4R159 C179 K181 V233 T237R159-F235 VanDerWaalsContact CZ-CD2 3.42Å; C179-F235 HydrophobicContact CB-CD2 3.98Å; C179-F235 CarbonylContact O-C 3.55Å; C179-F235 VanDerWaalsContact O-CA 3.25Å; C179-F235 WeakPolarHBondContact O-CA 3.29Å; K181-F235 HydrophobicContact CB-CE1 4.17Å; K181-F235 HydrophobicContact CB-CE2 3.94Å; K181-F235 HydrophobicContact CB-CZ 3.4Å; K181-F235 VanDerWaalsContact CB-CZ 3.4Å; K181-F235 HydrophobicContact CG-CZ 4.14Å; V233-F235 PolarHBondContact O-N 3.39Å; F235-T237 HydrophobicContact CE1-CG2 3.92Å
236V97.2Very high90.8Very high36 Ų3674.4 Ų74.422%0.21843%0.428CS..EExtended strand (participates in β ladder)trans-121.8130-175.5-1780000110E35 F36 L178 C179 A180 K181E35-V236 HydrophobicContact CG-CG1 3.87Å; F36-V236 HydrophobicContact CE1-CG1 4.37Å; F36-V236 HydrophobicContact CE1-CG2 4.47Å; F36-V236 HydrophobicContact CZ-CB 3.98Å; F36-V236 HydrophobicContact CZ-CG1 3.89Å; F36-V236 HydrophobicContact CZ-CG2 4.36Å; L178-V236 HydrophobicContact CD1-CG2 4.36Å; C179-V236 PolarHBondContact O-N 2.92Å; A180-V236 CarbonylContact C-O 3.53Å; A180-V236 VanDerWaalsContact CA-O 3.24Å; A180-V236 WeakPolarHBondContact CA-O 3.5Å; K181-V236 PolarHBondContact N-O 2.84Å
237T95.6Very high91.2Very high96 Ų9672 Ų7259%0.58942%0.415SS*.EExtended strand (participates in β ladder)trans-91.2125.4170.858.10000109.7K181 F235K181-T237 WeakPolarHBondContact O-CA 3.35Å; F235-T237 HydrophobicContact CE1-CG2 3.92Å
238C96.2Very high91.4Very high0 Ų076.2 Ų76.20%041%0.413CS..EExtended strand (participates in β ladder)trans-105.3129.6-175.9-50.40000111.4Q31 E35 F36 K181 P182 R183Q31-C238 HydrophobicContact CB-CB 4.16Å; E35-C238 HydrophobicContact CB-CB 4.29Å; F36-C238 VanDerWaalsContact CE2-SG 3.55Å; K181-C238 PolarHBondContact O-N 3.28Å; P182-C238 CarbonylContact C-O 3.56Å; P182-C238 WeakPolarHBondContact CA-O 3.35Å; R183-C238 PolarHBondContact N-O 3.18Å
239G90.6Very high91.7Very high23 Ų2373.1 Ų73.124%0.23740%0.395CS..SBendtrans122.6150179.400000112.6
240D90.3Very high92Very high74 Ų7471.2 Ų71.240%0.39638%0.379SS..  trans-74.8153.3-174.5-174.422.6000112.3R183 S242 S243R183-D240 WeakPolarHBondContact CD-O 3.47Å; D240-S242 PolarHBondContact O-N 3.18Å; D240-S242 WeakPolarHBondContact OD2-CB 3.31Å; D240-S242 PolarHBondContact OD2-OG 3.22Å; D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 3.21Å; D240-S243 PolarHBondContact O-OG 3.28Å
241L88.2Confident92.1Very high149 Ų14969.6 Ų69.678%0.7838%0.384SS*.THydrogen-bonded Turntrans-64-25.8175.1-65-178000112.6S243L241-S243 PolarHBondContact O-N 3.34Å
242S89.6Confident92.1Very high100 Ų10065.9 Ų65.970%0.69937%0.365SS*.THydrogen-bonded Turntrans-73.2-12.1172.8740000113.7D240D240-S242 PolarHBondContact O-N 3.18Å; D240-S242 WeakPolarHBondContact OD2-CB 3.31Å; D240-S242 PolarHBondContact OD2-OG 3.22Å
243S89.7Confident91.8Very high37 Ų3764.4 Ų64.426%0.25936%0.359SS..SBendtrans-71.2153-179-61.40000111.8D240 L241D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 3.21Å; D240-S243 PolarHBondContact O-OG 3.28Å; L241-S243 PolarHBondContact O-N 3.34Å
244Y92.3Very high90.8Very high56 Ų5665 Ų6522%0.2236%0.361CS..PPolyproline II helixtrans-59.3147.5174.5-60.6-73000112.8V11 Y12 L15 Y250 L254V11-Y244 HydrophobicContact CB-CG 4.44Å; V11-Y244 HydrophobicContact CG1-CG 4.11Å; V11-Y244 HydrophobicContact CG2-CD1 3.95Å; V11-Y244 HydrophobicContact CG2-CD2 3.62Å; V11-Y244 HydrophobicContact CG2-CE1 4.31Å; V11-Y244 HydrophobicContact CG2-CE2 3.98Å; V11-Y244 HydrophobicContact CG2-CG 3.59Å; Y12-Y244 PolarHBondContact OH-O 2.7Å; Y12-Y244 VanDerWaalsContact OH-O 3.07Å; L15-Y244 HydrophobicContact CD1-CD2 3.72Å; L15-Y244 HydrophobicContact CD1-CE2 3.85Å; Y244-Y250 AromaticContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD2 4.33Å; Y244-Y250 AromaticContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE2 4.05Å; Y244-Y250 HydrophobicContact CD1-CG 4.23Å; Y244-Y250 AromaticContact CD1-CZ 3.65Å; Y244-Y250 HydrophobicContact CE1-CD1 4.1Å; Y244-Y250 HydrophobicContact CE1-CE1 4.13Å; Y244-Y250 HydrophobicContact CG-CE2 4.48Å; Y244-L254 HydrophobicContact CE1-CD2 3.96Å
245D93Very high89.4Confident52 Ų5269 Ų6928%0.27837%0.373SS..PPolyproline II helixtrans-81.9121.2170.7-179.5-14.3000109D247 R248 Y250D245-D247 PolarHBondContact O-N 2.84Å; D245-D247 PolarHBondContact OD1-N 3.39Å; D245-R248 HydrophobicContact CB-CB 4.06Å; D245-R248 HydrophobicContact CB-CG 3.94Å; D245-R248 PolarHBondContact O-N 3.28Å; D245-R248 WeakPolarHBondContact OD2-CD 3.15Å; D245-R248 WeakPolarHBondContact OD2-CG 3.37Å; D245-Y250 WeakPolarHBondContact CB-OH 3.48Å; D245-Y250 PolarHBondContact N-OH 3.42Å; D245-Y250 WeakPolarHBondContact O-CE2 3.26Å
246S93.9Very high87.9Confident5 Ų568.7 Ų68.74%0.03540%0.396CS..THydrogen-bonded Turntrans-72.5-12.4-175.5590000114.5R183 S185 R186R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.38Å; R183-S246 PolarHBondContact O-OG 2.77Å; S185-S246 VanDerWaalsContact C-OG 3.23Å; S185-S246 PolarHBondContact O-OG 3.17Å; R186-S246 VanDerWaalsContact CA-OG 3.28Å; R186-S246 WeakPolarHBondContact CA-OG 3.36Å; R186-S246 PolarHBondContact N-OG 3.24Å
247D92.9Very high86.5Confident65 Ų6570.7 Ų70.735%0.34842%0.424SS..THydrogen-bonded Turntrans-93.9-14.6174.3-67.5-69.7000112.6R186 N187 S188 D245R186-D247 WeakPolarHBondContact CB-OD1 3.13Å; N187-D247 WeakPolarHBondContact CA-OD2 3.44Å; N187-D247 WeakPolarHBondContact CB-OD2 3.39Å; N187-D247 PolarHBondContact N-OD2 3.3Å; S188-D247 PolarHBondContact OG-OD1 3.05Å; D245-D247 PolarHBondContact O-N 2.84Å; D245-D247 PolarHBondContact OD1-N 3.39Å
248R92.8Very high85.4Confident145 Ų14570.1 Ų70.155%0.54742%0.424SS..SBendtrans-88.5150.5179.2-72.1-179.465.8-174.1-0.3112.7D245 Y250D245-R248 HydrophobicContact CB-CB 4.06Å; D245-R248 HydrophobicContact CB-CG 3.94Å; D245-R248 PolarHBondContact O-N 3.28Å; D245-R248 WeakPolarHBondContact OD2-CD 3.15Å; D245-R248 WeakPolarHBondContact OD2-CG 3.37Å; R248-Y250 HydrophobicContact CB-CD2 4.46Å; R248-Y250 HydrophobicContact CB-CE2 3.71Å
249S92.2Very high84.7Confident76 Ų7678.7 Ų78.753%0.53146%0.464SS..  trans-91.7142.7166.6-610000110.3K8K8-S249 CarbonylContact O-C 3.48Å; K8-S249 WeakPolarHBondContact O-CA 3.36Å; K8-S249 WeakPolarHBondContact O-CB 3.41Å
250Y90.9Very high84.5Confident43 Ų4379.3 Ų79.317%0.16946%0.459CS..  trans-122.6149.8-179.3-67.8-91.6000111K8 V11 Y244 D245 R248 L254K8-Y250 PolarHBondContact O-N 3.31Å; V11-Y250 HydrophobicContact CB-CD2 3.84Å; V11-Y250 HydrophobicContact CB-CE2 4.35Å; V11-Y250 HydrophobicContact CG1-CD2 4.05Å; V11-Y250 HydrophobicContact CG1-CE2 4.06Å; V11-Y250 HydrophobicContact CG2-CD2 4.2Å; Y244-Y250 AromaticContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD2 4.33Å; Y244-Y250 AromaticContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE2 4.05Å; Y244-Y250 HydrophobicContact CD1-CG 4.23Å; Y244-Y250 AromaticContact CD1-CZ 3.65Å; Y244-Y250 HydrophobicContact CE1-CD1 4.1Å; Y244-Y250 HydrophobicContact CE1-CE1 4.13Å; Y244-Y250 HydrophobicContact CG-CE2 4.48Å; D245-Y250 WeakPolarHBondContact CB-OH 3.48Å; D245-Y250 PolarHBondContact N-OH 3.42Å; D245-Y250 WeakPolarHBondContact O-CE2 3.26Å; R248-Y250 HydrophobicContact CB-CD2 4.46Å; R248-Y250 HydrophobicContact CB-CE2 3.71Å; Y250-L254 HydrophobicContact CG-CD2 4.37Å
251P88.6Confident84.3Confident90 Ų9083.9 Ų83.958%0.58448%0.476SS*.  trans-55.1155.4169.1-24.335.1000112.2R14 D253R14-P251 PolarHBondContact NH1-O 3.23Å; P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 3.33Å
252L85.3Confident84.3Confident24 Ų2481.1 Ų81.113%0.12646%0.456CS..SBendtrans-72.3-23.6177.5-71.4176.5000112.2T4 D7 K8 R14 L254 Y260T4-L252 HydrophobicContact CG2-CD1 4.25Å; D7-L252 HydrophobicContact CB-CD2 3.97Å; K8-L252 HydrophobicContact CD-CD1 4.48Å; K8-L252 HydrophobicContact CD-CG 4.26Å; K8-L252 HydrophobicContact CG-CD1 4.21Å; K8-L252 HydrophobicContact CG-CD2 3.62Å; K8-L252 HydrophobicContact CG-CG 3.63Å; R14-L252 PolarHBondContact NH1-O 3.07Å; R14-L252 PolarHBondContact NH2-O 3.18Å; L252-L254 PolarHBondContact O-N 3.24Å; L252-Y260 HydrophobicContact CB-CD1 4.32Å; L252-Y260 HydrophobicContact CB-CD2 4.02Å; L252-Y260 HydrophobicContact CB-CG 3.74Å; L252-Y260 HydrophobicContact CD1-CD1 3.84Å; L252-Y260 HydrophobicContact CD1-CE1 4.1Å; L252-Y260 HydrophobicContact CD1-CG 4.11Å; L252-Y260 HydrophobicContact CD2-CD1 4.48Å; L252-Y260 HydrophobicContact CD2-CD2 3.9Å; L252-Y260 HydrophobicContact CD2-CE1 4.44Å; L252-Y260 HydrophobicContact CD2-CE2 3.83Å; L252-Y260 HydrophobicContact CD2-CG 4.21Å; L252-Y260 HydrophobicContact CG-CD1 4.44Å; L252-Y260 HydrophobicContact CG-CD2 4.37Å; L252-Y260 HydrophobicContact CG-CG 4.22Å
253D82.3Confident84.4Confident95 Ų9578.6 Ų78.651%0.50844%0.436SS..  trans-95.294175.7-48.1-52000107.4P251 Y260P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 3.33Å; D253-Y260 PolarHBondContact OD1-N 2.54Å; D253-Y260 VanDerWaalsContact OD1-N 3.1Å
254L72Confident84.4Confident32 Ų3280.5 Ų80.517%0.16845%0.448CS..  trans-76.3-28.4-169.1-77.7170.2000113.5V11 R14 Y244 Y250 L252V11-L254 HydrophobicContact CG2-CD1 4.36Å; R14-L254 VanDerWaalsContact CZ-CD1 3.43Å; R14-L254 VanDerWaalsContact NH1-CG 3.3Å; Y244-L254 HydrophobicContact CE1-CD2 3.96Å; Y250-L254 HydrophobicContact CG-CD2 4.37Å; L252-L254 PolarHBondContact O-N 3.24Å
255E68.4Low84.4Confident159 Ų15980.2 Ų80.274%0.74345%0.452SS*.SBendtrans-178.7153.9174.6-101.3149.1-136.800110.4
256G64.7Low84.3Confident86 Ų8680.6 Ų80.689%0.88746%0.457SS*.THydrogen-bonded Turntrans852.2167.800000118.3S258G256-S258 PolarHBondContact O-N 2.88Å
257G66.3Low84.2Confident78 Ų7883.1 Ų83.180%0.80447%0.468SS*.THydrogen-bonded Turntrans754176.700000115.2E259G257-E259 PolarHBondContact O-N 3.43Å
258S73.1Confident83.9Confident84 Ų8483.7 Ų83.759%0.58748%0.475SS*.PPolyproline II helixtrans-71.4123.4170.558.40000110.3G256 Y260G256-S258 PolarHBondContact O-N 2.88Å; S258-Y260 PolarHBondContact O-N 3.48Å
259E82.2Confident83.6Confident179 Ų17980.8 Ų80.884%0.83648%0.475SS*.PPolyproline II helixtrans-58.9133.4175.7-171.4179.9-178.300110.8G257 K261G257-E259 PolarHBondContact O-N 3.43Å; E259-K261 PolarHBondContact O-N 3.46Å
260Y85.2Confident83.3Confident36 Ų3681.5 Ų81.514%0.14147%0.472CS..PPolyproline II helixtrans-51.9123.1174167.6-98.2000112.7T4 D7 L252 D253 S258T4-Y260 HydrophobicContact CG2-CE1 3.84Å; D7-Y260 HydrophobicContact CB-CE2 4.48Å; D7-Y260 PolarHBondContact OD2-OH 3.16Å; L252-Y260 HydrophobicContact CB-CD1 4.32Å; L252-Y260 HydrophobicContact CB-CD2 4.02Å; L252-Y260 HydrophobicContact CB-CG 3.74Å; L252-Y260 HydrophobicContact CD1-CD1 3.84Å; L252-Y260 HydrophobicContact CD1-CE1 4.1Å; L252-Y260 HydrophobicContact CD1-CG 4.11Å; L252-Y260 HydrophobicContact CD2-CD1 4.48Å; L252-Y260 HydrophobicContact CD2-CD2 3.9Å; L252-Y260 HydrophobicContact CD2-CE1 4.44Å; L252-Y260 HydrophobicContact CD2-CE2 3.83Å; L252-Y260 HydrophobicContact CD2-CG 4.21Å; L252-Y260 HydrophobicContact CG-CD1 4.44Å; L252-Y260 HydrophobicContact CG-CD2 4.37Å; L252-Y260 HydrophobicContact CG-CG 4.22Å; D253-Y260 PolarHBondContact OD1-N 2.54Å; D253-Y260 VanDerWaalsContact OD1-N 3.1Å; S258-Y260 PolarHBondContact O-N 3.48Å
261K86.7Confident82.9Confident170 Ų17082.4 Ų82.474%0.73949%0.485SS*.  trans-105.6121.7170.8-172.8176.2179.5179.30110E259 T263E259-K261 PolarHBondContact O-N 3.46Å; K261-T263 PolarHBondContact O-N 3.01Å
262Y88.8Confident82.6Confident92 Ų9279.1 Ų79.136%0.36146%0.464SS..  trans-62.6122.7172.5172.9-95.2000110.8R3 P264R3-Y262 HydrophobicContact CB-CD2 4.44Å; R3-Y262 HydrophobicContact CB-CE2 4.04Å; Y262-P264 HydrophobicContact CE1-CB 4.25Å
263T90.6Very high82.2Confident47 Ų4783.8 Ų83.829%0.28850%0.495SS..  trans-108.7129.9170.4-53.80000109.1K17 K261K17-T263 HydrophobicContact CB-CG2 4.26Å; K17-T263 WeakPolarHBondContact CD-O 3.48Å; K17-T263 PolarHBondContact NZ-O 2.82Å; K17-T263 WeakPolarHBondContact O-CG2 3.36Å; K261-T263 PolarHBondContact O-N 3.01Å
264P90.5Very high82.3Confident77 Ų7786.1 Ų86.150%0.550%0.498SS..  trans-67.5162.4173.130-34.8000111.3Y262 T266Y262-P264 HydrophobicContact CE1-CB 4.25Å; P264-T266 PolarHBondContact O-N 3.03Å
265P91.1Very high82.9Confident49 Ų4989.5 Ų89.532%0.31851%0.513SS..  trans-53.9135.9169.9-23.434.1000111.1Q267P265-Q267 PolarHBondContact O-N 3.44Å
266T92.5Very high83.9Confident61 Ų6188.8 Ų88.837%0.37451%0.509SS..SBendtrans-56.3-38.7179.2-53.30000112G20 W21 P264G20-T266 VanDerWaalsContact C-OG1 3.28Å; G20-T266 WeakPolarHBondContact CA-OG1 3.47Å; G20-T266 WeakPolarHBondContact O-CG2 3.1Å; W21-T266 PolarHBondContact O-OG1 3.18Å; P264-T266 PolarHBondContact O-N 3.03Å
267Q91.9Very high85Confident57 Ų5786.8 Ų86.827%0.26648%0.484SS..SBendtrans-135.4114.6175.1-178.757.555.400109.1R22 A80 P265R22-Q267 HydrophobicContact CB-CB 4.45Å; R22-Q267 HydrophobicContact CG-CB 3.86Å; A80-Q267 HydrophobicContact CB-CG 3.78Å; P265-Q267 PolarHBondContact O-N 3.44Å
268P86.8Confident86Confident77 Ų7785.7 Ų85.750%0.546%0.464SS..  trans-68.5155.2170.529-34.5000110.9
269P84.7Confident86.8Confident85 Ų8584.3 Ų84.355%0.55245%0.452SS*.  trans-56.5138.1173-22.332.7000111.5P272P269-P272 HydrophobicContact CB-CB 4.17Å
270I87.6Confident87.3Confident90 Ų9078.3 Ų78.346%0.46243%0.425SS..SBendtrans-70.2-51.3174.9-69.1173.3000110A78 M79 A80A78-I270 HydrophobicContact CB-CD1 4.31Å; M79-I270 VanDerWaalsContact C-CD1 3.41Å; A80-I270 HydrophobicContact CB-CD1 4.17Å; A80-I270 VanDerWaalsContact N-CD1 3.35Å
271S81.8Confident87.5Confident63 Ų6384 Ų8444%0.44145%0.451SS..SBendtrans-119.286.3175.146.40000109.8
272P81.7Confident87.7Confident21 Ų2186.2 Ų86.214%0.13646%0.455CS..  trans-64.7140.2-179.619.8-25.6000111.3P269 Y274 Q275P269-P272 HydrophobicContact CB-CB 4.17Å; P272-Y274 HydrophobicContact CB-CD1 3.89Å; P272-Y274 HydrophobicContact CB-CD2 4.24Å; P272-Y274 HydrophobicContact CB-CE1 3.4Å; P272-Y274 VanDerWaalsContact CB-CE1 3.4Å; P272-Y274 HydrophobicContact CB-CE2 3.79Å; P272-Y274 HydrophobicContact CB-CG 4.28Å; P272-Y274 HydrophobicContact CG-CD2 4.48Å; P272-Y274 HydrophobicContact CG-CE1 4.38Å; P272-Y274 HydrophobicContact CG-CE2 3.9Å; P272-Y274 PolarHBondContact O-N 3.37Å; P272-Q275 HydrophobicContact CG-CB 4.14Å; P272-Q275 WeakPolarHBondContact O-CB 3.28Å; P272-Q275 PolarHBondContact O-N 3.08Å
273P77.9Confident87.8Confident121 Ų12188.6 Ų88.679%0.78647%0.467SS*.THydrogen-bonded Turntrans-56.1-29.7-179.3-27.534000114.3Q275P273-Q275 VanDerWaalsContact C-N 3.27Å; P273-Q275 PolarHBondContact O-N 2.83Å
274Y82.9Confident87.6Confident145 Ų14589.3 Ų89.357%0.56948%0.484SS*.Hα-helixtrans-79.8-2.9178.657.3-98.4000114P272 E276 A277 C278P272-Y274 HydrophobicContact CB-CD1 3.89Å; P272-Y274 HydrophobicContact CB-CD2 4.24Å; P272-Y274 HydrophobicContact CB-CE1 3.4Å; P272-Y274 VanDerWaalsContact CB-CE1 3.4Å; P272-Y274 HydrophobicContact CB-CE2 3.79Å; P272-Y274 HydrophobicContact CB-CG 4.28Å; P272-Y274 HydrophobicContact CG-CD2 4.48Å; P272-Y274 HydrophobicContact CG-CE1 4.38Å; P272-Y274 HydrophobicContact CG-CE2 3.9Å; P272-Y274 PolarHBondContact O-N 3.37Å; Y274-E276 VanDerWaalsContact C-N 3.33Å; Y274-E276 PolarHBondContact O-N 3.28Å; Y274-A277 PolarHBondContact O-N 3.34Å; Y274-C278 WeakPolarHBondContact O-CB 3.28Å; Y274-C278 PolarHBondContact O-N 3.49Å; Y274-C278 PolarHBondContact O-SG 3.4Å
275Q86.4Confident87.5Confident103 Ų10391.6 Ų91.648%0.48149%0.488SS..Hα-helixtrans-60.4-43-178-174.6173.3100111.8P272 P273 C278 T279P272-Q275 HydrophobicContact CG-CB 4.14Å; P272-Q275 WeakPolarHBondContact O-CB 3.28Å; P272-Q275 PolarHBondContact O-N 3.08Å; P273-Q275 VanDerWaalsContact C-N 3.27Å; P273-Q275 PolarHBondContact O-N 2.83Å; Q275-C278 PolarHBondContact O-N 3.25Å; Q275-T279 WeakPolarHBondContact O-CB 3.22Å; Q275-T279 PolarHBondContact O-N 3.05Å; Q275-T279 PolarHBondContact O-OG1 3.46Å
276E87.7Confident87.2Confident143 Ų14392.9 Ų92.967%0.66849%0.492SS*.Hα-helixtrans-65.4-49.6177.4-174.5177.2-175.300110.8Y274 C278 T279 L280Y274-E276 VanDerWaalsContact C-N 3.33Å; Y274-E276 PolarHBondContact O-N 3.28Å; E276-C278 VanDerWaalsContact C-N 3.29Å; E276-C278 PolarHBondContact O-N 2.82Å; E276-T279 CarbonylContact O-C 3.59Å; E276-T279 WeakPolarHBondContact O-CA 3.45Å; E276-T279 WeakPolarHBondContact O-CB 3.37Å; E276-T279 PolarHBondContact O-N 3.5Å; E276-L280 HydrophobicContact CG-CD1 4.15Å; E276-L280 HydrophobicContact CG-CG 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.22Å; E276-L280 PolarHBondContact O-N 3.43Å
277A88.3Confident86.7Confident44 Ų4494.5 Ų94.536%0.36451%0.511SS..Hα-helixtrans-57.3-40.9176.500000112.3Y274 T279 K281Y274-A277 PolarHBondContact O-N 3.34Å; A277-T279 VanDerWaalsContact C-N 3.34Å; A277-T279 PolarHBondContact O-N 3Å; A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.31Å
278C87.5Confident86.1Confident55 Ų55100.6 Ų100.637%0.37254%0.537SS..Hα-helixtrans-63.5-38.8173.6-74.90000112.3Y274 Q275 E276 R282Y274-C278 WeakPolarHBondContact O-CB 3.28Å; Y274-C278 PolarHBondContact O-N 3.49Å; Y274-C278 PolarHBondContact O-SG 3.4Å; Q275-C278 PolarHBondContact O-N 3.25Å; E276-C278 VanDerWaalsContact C-N 3.29Å; E276-C278 PolarHBondContact O-N 2.82Å; C278-R282 WeakPolarHBondContact O-CB 3.39Å; C278-R282 VanDerWaalsContact O-CG 3.26Å; C278-R282 WeakPolarHBondContact O-CG 3.4Å; C278-R282 PolarHBondContact O-N 3.39Å
279T90.9Very high85.7Confident56 Ų56105.5 Ų105.534%0.34455%0.553SS.*Hα-helixtrans-67.4-47.5177.2-57.40000111.2Q275 E276 A277 K281 R282 K283Q275-T279 WeakPolarHBondContact O-CB 3.22Å; Q275-T279 PolarHBondContact O-N 3.05Å; Q275-T279 PolarHBondContact O-OG1 3.46Å; E276-T279 CarbonylContact O-C 3.59Å; E276-T279 WeakPolarHBondContact O-CA 3.45Å; E276-T279 WeakPolarHBondContact O-CB 3.37Å; E276-T279 PolarHBondContact O-N 3.5Å; A277-T279 VanDerWaalsContact C-N 3.34Å; A277-T279 PolarHBondContact O-N 3Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 2.87Å; T279-R282 PolarHBondContact O-N 3.39Å; T279-K283 HydrophobicContact CG2-CD 4.3Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.75Å
280L91.2Very high85.2Confident52 Ų52106.7 Ų106.727%0.27255%0.554SS.*Hα-helixtrans-60.6-42.1175.6-68.5174.5000111.4E276 R282 K283 G284 Q285 L286E276-L280 HydrophobicContact CG-CD1 4.15Å; E276-L280 HydrophobicContact CG-CG 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.22Å; E276-L280 PolarHBondContact O-N 3.43Å; L280-R282 PolarHBondContact O-N 2.7Å; L280-K283 CarbonylContact O-C 3.54Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-G284 PolarHBondContact O-N 3.06Å; L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 PolarHBondContact O-N 2.8Å; L280-L286 HydrophobicContact CB-CB 4.2Å; L280-L286 HydrophobicContact CB-CD1 4.22Å; L280-L286 HydrophobicContact CD1-CD1 4.46Å; L280-L286 PolarHBondContact O-N 3.42Å
281K90Very high84.5Confident156 Ų156109.5 Ų109.568%0.67856%0.559SS**Hα-helixtrans-61.3-44.5175.6-173.2175-179.2174.90111.8A277 T279 K283 G284 L286A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.31Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 2.87Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 3Å; K281-G284 PolarHBondContact O-N 3.23Å; K281-G284 VanDerWaalsContact O-N 3.16Å; K281-L286 HydrophobicContact CB-CB 4.34Å; K281-L286 HydrophobicContact CB-CD2 4.1Å; K281-L286 HydrophobicContact CG-CD2 4.45Å
282R90.6Very high84Confident217 Ų217112.1 Ų112.182%0.81957%0.574SS**Hα-helixtrans-63-35.9175.9-75.8172.3-177179.21.6112.3C278 T279 L280 G284C278-R282 WeakPolarHBondContact O-CB 3.39Å; C278-R282 VanDerWaalsContact O-CG 3.26Å; C278-R282 WeakPolarHBondContact O-CG 3.4Å; C278-R282 PolarHBondContact O-N 3.39Å; T279-R282 PolarHBondContact O-N 3.39Å; L280-R282 PolarHBondContact O-N 2.7Å; R282-G284 VanDerWaalsContact C-N 3.27Å; R282-G284 PolarHBondContact O-N 2.91Å
283K92.1Very high83.6Confident141 Ų141117.7 Ų117.761%0.61360%0.598SS**THydrogen-bonded Turntrans-80.6-1.9176.3-68.5-179.1179-178.70113.8T279 L280 K281 Q285T279-K283 HydrophobicContact CG2-CD 4.3Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.75Å; L280-K283 CarbonylContact O-C 3.54Å; L280-K283 PolarHBondContact O-N 3.34Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 3Å; K283-Q285 HydrophobicContact CB-CB 4.4Å; K283-Q285 HydrophobicContact CB-CG 3.99Å; K283-Q285 PolarHBondContact O-N 3.31Å
284G86.3Confident83.2Confident63 Ų63116.3 Ų116.365%0.64958%0.584SS**THydrogen-bonded Turntrans66.615.6-174.600000114.3L280 K281 R282L280-G284 PolarHBondContact O-N 3.06Å; K281-G284 PolarHBondContact O-N 3.23Å; K281-G284 VanDerWaalsContact O-N 3.16Å; R282-G284 VanDerWaalsContact C-N 3.27Å; R282-G284 PolarHBondContact O-N 2.91Å
285Q87.7Confident81.9Confident125 Ų125112.3 Ų112.358%0.58458%0.577SS**  trans-96.8-6.9-177-69176-33.800113L280 K283 A287L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 PolarHBondContact O-N 2.8Å; K283-Q285 HydrophobicContact CB-CB 4.4Å; K283-Q285 HydrophobicContact CB-CG 3.99Å; K283-Q285 PolarHBondContact O-N 3.31Å; Q285-A287 PolarHBondContact O-N 2.81Å
286L85Confident80.7Confident75 Ų75113 Ų11339%0.39359%0.59SS.*SBendtrans-67.6125.3175.2-167.970.2000108.8L280 K281 K288L280-L286 HydrophobicContact CB-CB 4.2Å; L280-L286 HydrophobicContact CB-CD1 4.22Å; L280-L286 HydrophobicContact CD1-CD1 4.46Å; L280-L286 PolarHBondContact O-N 3.42Å; K281-L286 HydrophobicContact CB-CB 4.34Å; K281-L286 HydrophobicContact CB-CD2 4.1Å; K281-L286 HydrophobicContact CG-CD2 4.45Å; L286-K288 PolarHBondContact O-N 3.12Å
287A81.5Confident79Confident95 Ų95113 Ų11379%0.78559%0.593SS**PPolyproline II helixtrans-50.2127.1176.600000109.7Q285Q285-A287 PolarHBondContact O-N 2.81Å
288K80.1Confident77Confident185 Ų185116 Ų11680%0.80461%0.611SS**PPolyproline II helixtrans-83.3143.5171.9-66.1178-177.21730107.5L286 I290L286-K288 PolarHBondContact O-N 3.12Å; K288-I290 PolarHBondContact O-N 2.94Å; K288-I290 VanDerWaalsContact O-N 3.13Å
289E77.5Confident75Confident180 Ų180123.7 Ų123.784%0.84163%0.632SS**PPolyproline II helixtrans-53.8121.2169-167.9170.9-17100108.5R291E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 VanDerWaalsContact O-N 3.09Å
290I74.1Confident72.9Confident110 Ų110126.5 Ų126.556%0.56465%0.649SS**  trans-69109.4174-57.9173000105K288 D294 C295K288-I290 PolarHBondContact O-N 2.94Å; K288-I290 VanDerWaalsContact O-N 3.13Å; I290-D294 HydrophobicContact CG2-CB 4.18Å; I290-C295 HydrophobicContact CG2-CB 4.46Å
291R72.9Confident70.5Confident150 Ų150130.5 Ų130.557%0.56667%0.671SS**  trans-63.3147173.4-68.5-176.3-80.6-162.3-7.9107.9E289 Q293 D294E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 VanDerWaalsContact O-N 3.09Å; R291-Q293 HydrophobicContact CB-CG 3.91Å; R291-Q293 PolarHBondContact O-N 2.97Å; R291-D294 IonicContact NE-OD2 3.53Å; R291-D294 PolarHBondContact NE-OD2 3.36Å; R291-D294 WeakPolarHBondContact O-CA 3.34Å; R291-D294 PolarHBondContact O-N 2.69Å
292P72.5Confident68.1Low118 Ų118129.4 Ų129.477%0.76668%0.678SS**G310 helixtrans-50.4-31.5179.8-28.334.4000113.9D294P292-D294 VanDerWaalsContact C-N 3.35Å; P292-D294 PolarHBondContact O-N 2.84Å
293Q72.9Confident65.6Low138 Ų138127.8 Ų127.865%0.64568%0.677SS**G310 helixtrans-71.4-19.6175.665.4-121.442.300115.8R291R291-Q293 HydrophobicContact CB-CG 3.91Å; R291-Q293 PolarHBondContact O-N 2.97Å
294D69.8Low63.1Low92 Ų92126.7 Ų126.749%0.49268%0.684SS.*G310 helixtrans-101.52.4-176-60.7-37000111.3I290 R291 P292 P296I290-D294 HydrophobicContact CG2-CB 4.18Å; R291-D294 IonicContact NE-OD2 3.53Å; R291-D294 PolarHBondContact NE-OD2 3.36Å; R291-D294 WeakPolarHBondContact O-CA 3.34Å; R291-D294 PolarHBondContact O-N 2.69Å; P292-D294 VanDerWaalsContact C-N 3.35Å; P292-D294 PolarHBondContact O-N 2.84Å; D294-P296 VanDerWaalsContact O-CD 3.32Å; D294-P296 WeakPolarHBondContact O-CD 3.49Å
295C55.6Low61Low61 Ų61132.3 Ų132.341%0.41269%0.693SS.*  trans-68.6118.2175.3-89.50000110.5I290 I297I290-C295 HydrophobicContact CG2-CB 4.46Å; C295-I297 PolarHBondContact O-N 3.27Å; C295-I297 VanDerWaalsContact O-N 3.09Å
296P61.4Low58.7Low117 Ų117132.3 Ų132.376%0.7670%0.704SS**SBendtrans-71.1-3.5179.525-29.3000113.9D294 S298D294-P296 VanDerWaalsContact O-CD 3.32Å; D294-P296 WeakPolarHBondContact O-CD 3.49Å; P296-S298 PolarHBondContact O-N 3.03Å
297I52.2Low56.5Low144 Ų144137 Ų13774%0.73873%0.729SS**  trans-81.567.2171.3-46.8176.7000108.8C295C295-I297 PolarHBondContact O-N 3.27Å; C295-I297 VanDerWaalsContact O-N 3.09Å
298S46.1Very low54.5Low105 Ų105137 Ų13773%0.73473%0.729SS**  trans-112.538.2162.564.80000110.9P296P296-S298 PolarHBondContact O-N 3.03Å
299R44Very low52.5Low217 Ų217132.5 Ų132.582%0.81973%0.726SS**  trans-138.583.4156.1-74.7-169.4179.2168.3-0.6107.2D301R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.07Å
300V46.7Very low50.5Low116 Ų116129.9 Ų129.970%0.70373%0.725SS**  trans-63.4104146.7179.10000103T302V300-T302 PolarHBondContact O-N 2.86Å
301D42.1Very low48.7Very low135 Ų135132.8 Ų132.872%0.72274%0.736SS**  trans-46.7120167.1-79.3-39.3000106.3R299 F303R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.07Å; D301-F303 PolarHBondContact O-N 2.96Å
302T39.2Very low46.7Very low134 Ų134131.4 Ų131.482%0.82275%0.748SS**  trans-55.1108.1177-27.90000104.9V300 P304V300-T302 PolarHBondContact O-N 2.86Å; T302-P304 VanDerWaalsContact O-N 3.12Å
303F38.7Very low44.8Very low182 Ų182133.6 Ų133.680%0.79875%0.748SS**  trans-47.6126.1173.5-89.2-88.1000106.8D301 Q305D301-F303 PolarHBondContact O-N 2.96Å; F303-Q305 PolarHBondContact O-N 3.08Å
304P38.5Very low43Very low119 Ų119133 Ų13377%0.77375%0.754SS**  trans-53.2137.1176.7-20.430000108T302T302-P304 VanDerWaalsContact O-N 3.12Å
305Q41.6Very low41.2Very low180 Ų180136.6 Ų136.684%0.84177%0.772SS**  trans-42.5145.3178.5-79-169.7-22.100111.7F303 L307F303-Q305 PolarHBondContact O-N 3.08Å; Q305-L307 PolarHBondContact O-N 2.56Å; Q305-L307 VanDerWaalsContact O-N 3.13Å
306P41.3Very low40Very low125 Ų125141.6 Ų141.681%0.81279%0.794SS**  trans-56.8122.3-168.520.6-30.9000110.6A308P306-A308 PolarHBondContact O-N 3.01Å
307L38.1Very low38.6Very low175 Ų175140.1 Ų140.192%0.91679%0.791SS**  trans-47.4123.7163-83.9155.5000107.5Q305 A309Q305-L307 PolarHBondContact O-N 2.56Å; Q305-L307 VanDerWaalsContact O-N 3.13Å; L307-A309 PolarHBondContact O-N 2.72Å
308A39Very low37.8Very low94 Ų94138.9 Ų138.978%0.77779%0.792SS**  trans-45.9130179.600000110.1P306P306-A308 PolarHBondContact O-N 3.01Å
309A38.9Very low36.9Very low91 Ų91143.2 Ų143.275%0.75280%0.801SS**PPolyproline II helixtrans-51.2126.8179.100000109.6L307 Q311L307-A309 PolarHBondContact O-N 2.72Å; A309-Q311 PolarHBondContact O-N 2.7Å
310P35.6Very low36.4Very low125 Ų125141.1 Ų141.181%0.81280%0.803SS**PPolyproline II helixtrans-62.1131.5179.723.1-29.9000109.1C312P310-C312 PolarHBondContact O-N 3.37Å
311Q35.7Very low35.7Very low171 Ų171144.5 Ų144.580%0.79981%0.811SS**PPolyproline II helixtrans-54.8126.1174.9-71.5176-1500109A309 H313A309-Q311 PolarHBondContact O-N 2.7Å; Q311-H313 PolarHBondContact O-N 2.69Å
312C31Very low35Very low121 Ų121145.7 Ų145.782%0.81882%0.817SS**  trans-60.297.5175.7-163.90000108.5P310 T314P310-C312 PolarHBondContact O-N 3.37Å; C312-T314 PolarHBondContact O-N 3.29Å
313H33.6Very low34.8Very low164 Ų164146.9 Ų146.976%0.75982%0.819SS**  trans-73.4105.3163.9-83.9-67.2000107.1Q311 L315Q311-H313 PolarHBondContact O-N 2.69Å; H313-L315 PolarHBondContact O-N 3.47Å
314T33.4Very low34.3Very low126 Ų126146.7 Ų146.777%0.77382%0.82SS**  trans-47.1105.4163.9-44.20000108.3C312 L316C312-T314 PolarHBondContact O-N 3.29Å; T314-L316 PolarHBondContact O-N 3.21Å; T314-L316 VanDerWaalsContact O-N 3.07Å
315L32.7Very low34.1Very low166 Ų166150 Ų15087%0.86983%0.828SS**  trans-66.3109169-73.3171.8000106.7H313 A317H313-L315 PolarHBondContact O-N 3.47Å; L315-A317 PolarHBondContact O-N 3.19Å
316L29.8Very low33.4Very low167 Ų167146.6 Ų146.687%0.87482%0.823SS**PPolyproline II helixtrans-46.2128.5166.8-79.3152.4000109T314T314-L316 PolarHBondContact O-N 3.21Å; T314-L316 VanDerWaalsContact O-N 3.07Å
317A33.2Very low33.1Very low85 Ų85146.9 Ų146.970%0.70283%0.827SS**PPolyproline II helixtrans-56.8140.6171.600000109.7L315 E319L315-A317 PolarHBondContact O-N 3.19Å; A317-E319 PolarHBondContact O-N 3.1Å
318P34.5Very low32.8Very low118 Ų118143.7 Ų143.777%0.76682%0.819SS**PPolyproline II helixtrans-70.3119.1175.827.5-30000109.3M320P318-M320 PolarHBondContact O-N 3.46Å; P318-M320 VanDerWaalsContact O-N 3.12Å
319E27.5Very low32.8Very low196 Ų196148.7 Ų148.792%0.91684%0.844SS**  trans-60.3105.5155.7-69.7179.9147.900106.8A317A317-E319 PolarHBondContact O-N 3.1Å
320M33.4Very low32.5Very low173 Ų173151.6 Ų151.685%0.85285%0.848SS**  trans-106.8109.8166.5-121.8179.251.100106.5P318P318-M320 PolarHBondContact O-N 3.46Å; P318-M320 VanDerWaalsContact O-N 3.12Å
321E31.6Very low32.3Very low188 Ų188152.9 Ų152.988%0.87985%0.85SS**  trans-50.2129.9-178-69169.3136.900112N323E321-N323 PolarHBondContact O-N 3.43Å
322D28.1Very low32.1Very low159 Ų159151.9 Ų151.985%0.8585%0.853SS**  trans-51.8115.8159.9-72.5-49.9000109.1
323N33.7Very low32.2Very low160 Ų160153.8 Ų153.886%0.85686%0.855SS**  trans-121.792.8156.4-144.64.9000107.8E321 M325E321-N323 PolarHBondContact O-N 3.43Å; N323-M325 PolarHBondContact O-N 3.28Å
324E28.4Very low32.1Very low178 Ų178153.1 Ų153.183%0.83286%0.861SS**  trans-51.5121.4165.8-67.8-179.7139.100109.5
325M35.7Very low32Very low189 Ų189154.9 Ų154.993%0.93187%0.867SS**  trans-14086.2151.1-136.5168.2-164.900109.5N323N323-M325 PolarHBondContact O-N 3.28Å
326S27.2Very low31.9Very low107 Ų107154.1 Ų154.175%0.74887%0.867SS**  trans-60.1129.3159.757.80000110.1
327C34.2Very low32.1Very low132 Ų132153.2 Ų153.289%0.89287%0.867SS**  trans-157.4103.6146.1-108.70000109.4
328S31Very low32Very low107 Ų107158.8 Ų158.875%0.74888%0.88SS**  trans-62.3171.8163.4-45.50000111.3
329P38.8Very low31.8Very low199 Ų199162.5 Ų162.5100%1.29289%0.891SS**  -121079.636.1-30.2000114.4

Retrieved 329 of 329 residues in 342.5 ms (Link to these results)

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