A0A096NR63_PAPAN Loading...

Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial

Allows the formation of correctly charged Gln-tRNA(Gln) through the transamidation of misacylated Glu-tRNA(Gln) in the mitochondria. The reaction takes place in the presence of glutamine and ATP through an activated gamma-phospho-Glu-tRNA(Gln).

AlphaFold DB , UniProt , Accession A0A096NR63, Species PAPAN (Papio anubis, Olive baboon), Gene QRSL1, Length 528 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
1M73.4Confident90.7Very high86 Ų8651.2 Ų51.242%0.42428%0.281SS..  0-58.10-63.9-134.3-80.300111.3G3 R4 I18 E22 K26 Y185M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 3.49Å; M1-R4 VanDerWaalsContact O-CB 3.28Å; M1-R4 WeakPolarHBondContact O-CB 3.49Å; M1-R4 PolarHBondContact O-N 2.81Å; M1-I18 HydrophobicContact CE-CB 4.06Å; M1-I18 HydrophobicContact CE-CD1 3.34Å; M1-I18 HydrophobicContact CE-CG1 3.63Å; M1-I18 HydrophobicContact SD-CB 4.15Å; M1-I18 HydrophobicContact SD-CD1 3.78Å; M1-I18 HydrophobicContact SD-CG1 4.24Å; M1-E22 WeakPolarHBondContact CE-OE1 3.27Å; M1-K26 VanDerWaalsContact CE-NZ 3.3Å; M1-Y185 PolarHBondContact O-OH 3.47Å
2L85.9Confident91.2Very high34 Ų3447.2 Ų47.218%0.17826%0.259CS..THydrogen-bonded Turntrans-61.6-26.3-179-60.7-179.4000115.6R4 L23 K26 L30 F182 Y185 R235L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.06Å; L2-L23 HydrophobicContact CD2-CD1 3.98Å; L2-K26 HydrophobicContact CD1-CB 4.39Å; L2-K26 HydrophobicContact CD2-CB 4.24Å; L2-L30 HydrophobicContact CD1-CD2 3.91Å; L2-F182 HydrophobicContact CB-CB 4.18Å; L2-F182 WeakPolarHBondContact O-CD1 3.28Å; L2-Y185 WeakPolarHBondContact CA-OH 3.28Å; L2-R235 PolarHBondContact O-NH2 3.28Å
3G85.3Confident91.6Very high52 Ų5243.9 Ų43.954%0.53624%0.241SC..THydrogen-bonded Turntrans-79.6-2.5174.600000115.4M1M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 3.49Å
4R91.1Very high91.9Very high98 Ų9848.6 Ų48.637%0.3726%0.258SS..SBendtrans-73.4162.1174.8-72.2-175.1-178.4177.40.2110.9M1 L2 E8 V9 Y185 R235M1-R4 VanDerWaalsContact O-CB 3.28Å; M1-R4 WeakPolarHBondContact O-CB 3.49Å; M1-R4 PolarHBondContact O-N 2.81Å; L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.06Å; R4-E8 VanDerWaalsContact CA-OE2 3.27Å; R4-E8 WeakPolarHBondContact CA-OE2 3.49Å; R4-E8 HydrophobicContact CB-CB 3.99Å; R4-E8 WeakPolarHBondContact CB-OE2 3.38Å; R4-E8 HydrophobicContact CG-CB 4.45Å; R4-E8 WeakPolarHBondContact CG-OE2 3.48Å; R4-V9 HydrophobicContact CB-CG2 3.71Å; R4-Y185 WeakPolarHBondContact O-CE1 3.34Å; R4-R235 PolarHBondContact O-NH2 3.07Å
5T93.5Very high92.1Very high40 Ų4054.1 Ų54.125%0.24528%0.282CS..  trans-72161.9171.1700000110.7Q7 E8 V9T5-Q7 VanDerWaalsContact C-N 3.25Å; T5-Q7 PolarHBondContact O-N 3.36Å; T5-E8 PolarHBondContact N-OE2 3.35Å; T5-E8 PolarHBondContact O-N 3.22Å; T5-E8 VanDerWaalsContact OG1-CG 3.28Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.5Å; T5-V9 WeakPolarHBondContact O-CG2 3.37Å; T5-V9 PolarHBondContact O-N 3.13Å
6L94.1Very high92.3Very high0 Ų054.6 Ų54.60%031%0.305CS..Hα-helixtrans-57.2-44.3173.7-173158.7000110.4E8 V9 S10 L68 I71 D239 I242 V243L6-E8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 3.11Å; L6-S10 WeakPolarHBondContact O-CB 3.27Å; L6-S10 PolarHBondContact O-N 2.63Å; L6-L68 HydrophobicContact CD1-CD2 3.66Å; L6-L68 HydrophobicContact CD2-CD2 4.13Å; L6-L68 HydrophobicContact CG-CD2 4.43Å; L6-I71 HydrophobicContact CD1-CG2 3.88Å; L6-I71 HydrophobicContact CD2-CG1 4.41Å; L6-I71 HydrophobicContact CG-CD1 4.48Å; L6-I71 HydrophobicContact CG-CG1 4.29Å; L6-I71 HydrophobicContact CG-CG2 3.93Å; L6-D239 HydrophobicContact CB-CB 4.03Å; L6-D239 WeakPolarHBondContact CB-OD1 3.22Å; L6-D239 VanDerWaalsContact N-CG 3.29Å; L6-D239 PolarHBondContact N-OD1 3.35Å; L6-D239 PolarHBondContact N-OD2 3.4Å; L6-I242 HydrophobicContact CD2-CD1 3.97Å; L6-I242 HydrophobicContact CD2-CG2 3.96Å; L6-V243 HydrophobicContact CD1-CG2 4.43Å
7Q91.7Very high92.5Very high108 Ų10858.3 Ų58.351%0.50532%0.319SS..Hα-helixtrans-58.7-45.2178.8-170.2179.315.200112.4T5 V9 S10 A11 D239 I242T5-Q7 VanDerWaalsContact C-N 3.25Å; T5-Q7 PolarHBondContact O-N 3.36Å; Q7-V9 VanDerWaalsContact C-N 3.34Å; Q7-V9 PolarHBondContact O-N 3.23Å; Q7-S10 PolarHBondContact O-N 3.29Å; Q7-A11 PolarHBondContact O-N 3.06Å; Q7-D239 PolarHBondContact N-OD1 3.48Å; Q7-I242 HydrophobicContact CB-CD1 4.11Å
8E95.6Very high92.7Very high100 Ų10055.4 Ų55.447%0.46730%0.303SS..Hα-helixtrans-64.7-37.8177.8-73.4173155.200112.4R4 T5 L6 A12R4-E8 VanDerWaalsContact CA-OE2 3.27Å; R4-E8 WeakPolarHBondContact CA-OE2 3.49Å; R4-E8 HydrophobicContact CB-CB 3.99Å; R4-E8 WeakPolarHBondContact CB-OE2 3.38Å; R4-E8 HydrophobicContact CG-CB 4.45Å; R4-E8 WeakPolarHBondContact CG-OE2 3.48Å; T5-E8 PolarHBondContact N-OE2 3.35Å; T5-E8 PolarHBondContact O-N 3.22Å; T5-E8 VanDerWaalsContact OG1-CG 3.28Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.5Å; L6-E8 PolarHBondContact O-N 2.97Å; E8-A12 PolarHBondContact O-N 3.4Å
9V96.9Very high93Very high4 Ų454.9 Ų54.92%0.02430%0.302CS..Hα-helixtrans-73.2-40.7178.91720000111.5R4 T5 L6 Q7 A11 A12 L13 L23 I71 Y185R4-V9 HydrophobicContact CB-CG2 3.71Å; T5-V9 WeakPolarHBondContact O-CG2 3.37Å; T5-V9 PolarHBondContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.11Å; Q7-V9 VanDerWaalsContact C-N 3.34Å; Q7-V9 PolarHBondContact O-N 3.23Å; V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.06Å; V9-A12 WeakPolarHBondContact O-CB 3.39Å; V9-A12 PolarHBondContact O-N 3.02Å; V9-A12 VanDerWaalsContact O-N 3.14Å; V9-L13 HydrophobicContact CG1-CD1 4.26Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.38Å; V9-L23 HydrophobicContact CG1-CD1 4.4Å; V9-L23 HydrophobicContact CG1-CD2 3.46Å; V9-L23 VanDerWaalsContact CG1-CD2 3.46Å; V9-I71 HydrophobicContact CB-CD1 4.41Å; V9-I71 HydrophobicContact CG1-CD1 3.86Å; V9-Y185 HydrophobicContact CB-CE1 4.18Å; V9-Y185 HydrophobicContact CG2-CE1 3.55Å; V9-Y185 WeakPolarHBondContact CG2-OH 3.13Å
10S95.3Very high93.2Very high1 Ų152.4 Ų52.41%0.00729%0.288CS..Hα-helixtrans-58-44172.9-170.90000111.5L6 Q7 A12 L13 K14 D67L6-S10 WeakPolarHBondContact O-CB 3.27Å; L6-S10 PolarHBondContact O-N 2.63Å; Q7-S10 PolarHBondContact O-N 3.29Å; S10-A12 PolarHBondContact O-N 2.99Å; S10-L13 PolarHBondContact O-N 2.87Å; S10-K14 WeakPolarHBondContact O-CG 3.24Å; S10-K14 PolarHBondContact O-N 3.5Å; S10-D67 WeakPolarHBondContact CB-O 3.47Å; S10-D67 WeakPolarHBondContact OG-CA 3.44Å; S10-D67 PolarHBondContact OG-O 3.38Å
11A95.4Very high93.5Very high40 Ų4050.9 Ų50.933%0.33128%0.281SS..Hα-helixtrans-62.1-41.5174.300000112.5Q7 V9 K14 Q15Q7-A11 PolarHBondContact O-N 3.06Å; V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.06Å; A11-K14 PolarHBondContact O-N 3.41Å; A11-Q15 WeakPolarHBondContact O-CB 3.46Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.33Å; A11-Q15 PolarHBondContact O-N 3.27Å
12A96.8Very high94.7Very high3 Ų350 Ų503%0.02528%0.275CS..Hα-helixtrans-65.2-38.2177.500000112.7E8 V9 S10 Q15 G16 Q17 I18E8-A12 PolarHBondContact O-N 3.4Å; V9-A12 WeakPolarHBondContact O-CB 3.39Å; V9-A12 PolarHBondContact O-N 3.02Å; V9-A12 VanDerWaalsContact O-N 3.14Å; S10-A12 PolarHBondContact O-N 2.99Å; A12-Q15 PolarHBondContact O-N 3.18Å; A12-G16 PolarHBondContact O-N 3.06Å; A12-Q17 HydrophobicContact CB-CB 4.23Å; A12-Q17 PolarHBondContact O-N 3.37Å; A12-I18 HydrophobicContact CB-CG2 3.88Å
13L96.6Very high95.2Very high5 Ų548.3 Ų48.33%0.02627%0.267CS..Hα-helixtrans-63.3-48.1174.2-70.8167.9000111.1V9 S10 Q15 G16 I18 P20 L23 Y59 I71V9-L13 HydrophobicContact CG1-CD1 4.26Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.38Å; S10-L13 PolarHBondContact O-N 2.87Å; L13-Q15 PolarHBondContact O-N 2.9Å; L13-G16 PolarHBondContact O-N 2.82Å; L13-I18 HydrophobicContact CD2-CG2 3.81Å; L13-I18 HydrophobicContact CG-CG2 4.06Å; L13-P20 HydrophobicContact CD2-CG 3.92Å; L13-L23 HydrophobicContact CD1-CD2 4.35Å; L13-Y59 HydrophobicContact CB-CE1 4.03Å; L13-Y59 HydrophobicContact CB-CE2 4.13Å; L13-Y59 HydrophobicContact CD1-CE2 4.48Å; L13-I71 HydrophobicContact CD1-CD1 3.77Å
14K95.3Very high95.9Very high110 Ų11045.9 Ų45.948%0.47824%0.241SC..Hα-helixtrans-59.4-33.3176.6-71.3172.5-173.6173.40112.8S10 A11 G16 Y59 D67S10-K14 WeakPolarHBondContact O-CG 3.24Å; S10-K14 PolarHBondContact O-N 3.5Å; A11-K14 PolarHBondContact O-N 3.41Å; K14-G16 VanDerWaalsContact C-N 3.33Å; K14-Y59 HydrophobicContact CB-CE1 4.48Å; K14-Y59 HydrophobicContact CG-CE1 3.83Å; K14-D67 IonicContact NZ-OD1 2.63Å; K14-D67 PolarHBondContact NZ-OD1 3.02Å
15Q95.3Very high96.2Very high130 Ų13046 Ų4661%0.60725%0.246SC*.THydrogen-bonded Turntrans-85.3-2.5178.4-68170.327.100113.5A11 A12 L13 Q17A11-Q15 WeakPolarHBondContact O-CB 3.46Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.33Å; A11-Q15 PolarHBondContact O-N 3.27Å; A12-Q15 PolarHBondContact O-N 3.18Å; L13-Q15 PolarHBondContact O-N 2.9Å; Q15-Q17 HydrophobicContact CB-CG 4.05Å; Q15-Q17 PolarHBondContact O-N 3.38Å
16G94.6Very high96.4Very high63 Ų6347.6 Ų47.665%0.64925%0.249SC*.THydrogen-bonded Turntrans68.119.7-177.700000114.4A12 L13 K14 I18A12-G16 PolarHBondContact O-N 3.06Å; L13-G16 PolarHBondContact O-N 2.82Å; K14-G16 VanDerWaalsContact C-N 3.33Å; G16-I18 VanDerWaalsContact C-N 3.31Å
17Q96.3Very high96.6Very high117 Ų11747.6 Ų47.655%0.54725%0.249SC..SBendtrans-75.5-22.9177.5-65.2-179.9-0.600112.8A12 Q15A12-Q17 HydrophobicContact CB-CB 4.23Å; A12-Q17 PolarHBondContact O-N 3.37Å; Q15-Q17 HydrophobicContact CB-CG 4.05Å; Q15-Q17 PolarHBondContact O-N 3.38Å
18I95.9Very high96.9Very high6 Ų642.6 Ų42.63%0.03123%0.226CC..SBendtrans-146151.8176.2-174-176.8000107.1M1 A12 L13 G16 E22 L23M1-I18 HydrophobicContact CE-CB 4.06Å; M1-I18 HydrophobicContact CE-CD1 3.34Å; M1-I18 HydrophobicContact CE-CG1 3.63Å; M1-I18 HydrophobicContact SD-CB 4.15Å; M1-I18 HydrophobicContact SD-CD1 3.78Å; M1-I18 HydrophobicContact SD-CG1 4.24Å; A12-I18 HydrophobicContact CB-CG2 3.88Å; L13-I18 HydrophobicContact CD2-CG2 3.81Å; L13-I18 HydrophobicContact CG-CG2 4.06Å; G16-I18 VanDerWaalsContact C-N 3.31Å; I18-E22 HydrophobicContact CG1-CB 4.23Å; I18-E22 HydrophobicContact CG1-CG 4.38Å; I18-L23 HydrophobicContact CD1-CB 3.77Å; I18-L23 HydrophobicContact CD1-CD1 3.86Å; I18-L23 HydrophobicContact CD1-CG 4.32Å; I18-L23 HydrophobicContact CG1-CB 4.5Å
19T97.9Very high97Very high47 Ų4740.9 Ų40.929%0.28823%0.225SC..  trans-100.9154.3171.577.90000112.2T21 E22 L23 E56T19-T21 PolarHBondContact O-N 2.69Å; T19-E22 PolarHBondContact O-N 3.42Å; T19-E22 PolarHBondContact OG1-N 2.95Å; T19-E22 VanDerWaalsContact OG1-N 3.15Å; T19-L23 PolarHBondContact O-N 2.91Å; T19-E56 VanDerWaalsContact CB-OE2 3.27Å; T19-E56 WeakPolarHBondContact CB-OE2 3.4Å; T19-E56 PolarHBondContact OG1-OE2 3.27Å; T19-E56 VanDerWaalsContact OG1-OE2 3.09Å
20P98.3Very high97Very high3 Ų341.7 Ų41.72%0.01923%0.229CC..Hα-helixtrans-54.8-38.7172.7-26.634.5000112.9L13 L23 C24 A52 S55 E56 Y59L13-P20 HydrophobicContact CD2-CG 3.92Å; P20-L23 PolarHBondContact O-N 3.14Å; P20-C24 VanDerWaalsContact O-CB 3.3Å; P20-C24 WeakPolarHBondContact O-CB 3.2Å; P20-C24 PolarHBondContact O-N 3.07Å; P20-A52 HydrophobicContact CB-CB 4.39Å; P20-S55 WeakPolarHBondContact CG-OG 3.24Å; P20-E56 HydrophobicContact CG-CB 4.2Å; P20-Y59 HydrophobicContact CG-CD2 3.59Å; P20-Y59 HydrophobicContact CG-CE2 3.79Å
21T98.4Very high97.1Very high22 Ų2242.1 Ų42.114%0.13523%0.231CC..Hα-helixtrans-64-46.8178.8-48.60000111.7T19 L23 C24 Q25 E56T19-T21 PolarHBondContact O-N 2.69Å; T21-L23 VanDerWaalsContact C-N 3.31Å; T21-L23 PolarHBondContact O-N 3.09Å; T21-C24 PolarHBondContact O-N 2.74Å; T21-Q25 WeakPolarHBondContact O-CB 3.32Å; T21-Q25 VanDerWaalsContact O-CG 3.3Å; T21-Q25 WeakPolarHBondContact O-CG 3.48Å; T21-Q25 PolarHBondContact O-N 3.15Å; T21-E56 WeakPolarHBondContact CB-OE2 3.16Å; T21-E56 PolarHBondContact OG1-OE2 3.16Å
22E98Very high97.2Very high66 Ų6646.1 Ų46.131%0.30824%0.241SC..Hα-helixtrans-60.3-43.4176.2-174.7-168.6162.100111M1 I18 T19 K26M1-E22 WeakPolarHBondContact CE-OE1 3.27Å; I18-E22 HydrophobicContact CG1-CB 4.23Å; I18-E22 HydrophobicContact CG1-CG 4.38Å; T19-E22 PolarHBondContact O-N 3.42Å; T19-E22 PolarHBondContact OG1-N 2.95Å; T19-E22 VanDerWaalsContact OG1-N 3.15Å; E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CG 3.29Å; E22-K26 PolarHBondContact O-N 2.63Å; E22-K26 VanDerWaalsContact O-N 3.1Å; E22-K26 VanDerWaalsContact OE1-CE 3.24Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 3.74Å; E22-K26 PolarHBondContact OE1-NZ 2.63Å
23L98.3Very high97.1Very high0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-62.8-47.2178.7-175.559.2000112L2 V9 L13 I18 T19 P20 T21 K26 C27 P72 Y185L2-L23 HydrophobicContact CD2-CD1 3.98Å; V9-L23 HydrophobicContact CG1-CD1 4.4Å; V9-L23 HydrophobicContact CG1-CD2 3.46Å; V9-L23 VanDerWaalsContact CG1-CD2 3.46Å; L13-L23 HydrophobicContact CD1-CD2 4.35Å; I18-L23 HydrophobicContact CD1-CB 3.77Å; I18-L23 HydrophobicContact CD1-CD1 3.86Å; I18-L23 HydrophobicContact CD1-CG 4.32Å; I18-L23 HydrophobicContact CG1-CB 4.5Å; T19-L23 PolarHBondContact O-N 2.91Å; P20-L23 PolarHBondContact O-N 3.14Å; T21-L23 VanDerWaalsContact C-N 3.31Å; T21-L23 PolarHBondContact O-N 3.09Å; L23-K26 PolarHBondContact O-N 3Å; L23-C27 PolarHBondContact O-N 3.37Å; L23-C27 VanDerWaalsContact O-N 3.11Å; L23-P72 HydrophobicContact CD2-CG 4.17Å; L23-P72 HydrophobicContact CG-CG 3.93Å; L23-Y185 HydrophobicContact CD1-CE2 3.83Å; L23-Y185 WeakPolarHBondContact CD1-OH 3.31Å; L23-Y185 HydrophobicContact CD2-CE2 4.17Å; L23-Y185 HydrophobicContact CG-CE2 4.3Å
24C98.7Very high97.1Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-58.3-49.4177.5-175.70000111.4P20 T21 K26 C27 L28 A52 L114P20-C24 VanDerWaalsContact O-CB 3.3Å; P20-C24 WeakPolarHBondContact O-CB 3.2Å; P20-C24 PolarHBondContact O-N 3.07Å; T21-C24 PolarHBondContact O-N 2.74Å; C24-K26 VanDerWaalsContact C-N 3.31Å; C24-K26 PolarHBondContact O-N 2.91Å; C24-C27 PolarHBondContact O-N 3.16Å; C24-L28 WeakPolarHBondContact O-CG 3.42Å; C24-L28 PolarHBondContact O-N 2.89Å; C24-A52 HydrophobicContact CB-CB 3.75Å; C24-L114 HydrophobicContact CB-CD1 3.88Å
25Q98.4Very high97.1Very high100 Ų10052.4 Ų52.447%0.46727%0.268SS..Hα-helixtrans-60.4-38.8179.5-73.9171.8-8.500112.4T21 L28 S29 L49T21-Q25 WeakPolarHBondContact O-CB 3.32Å; T21-Q25 VanDerWaalsContact O-CG 3.3Å; T21-Q25 WeakPolarHBondContact O-CG 3.48Å; T21-Q25 PolarHBondContact O-N 3.15Å; Q25-L28 PolarHBondContact O-N 3.42Å; Q25-S29 VanDerWaalsContact O-CB 3.3Å; Q25-S29 WeakPolarHBondContact O-CB 3.32Å; Q25-S29 PolarHBondContact O-N 3.47Å; Q25-S29 PolarHBondContact O-OG 3.11Å; Q25-L49 HydrophobicContact CG-CD2 3.81Å
26K97.4Very high97.1Very high74 Ų7450 Ų5032%0.32226%0.256SS..Hα-helixtrans-64.5-44.3175.6-74.9-179.6-176-178.40111.9M1 L2 E22 L23 C24 S29 L30M1-K26 VanDerWaalsContact CE-NZ 3.3Å; L2-K26 HydrophobicContact CD1-CB 4.39Å; L2-K26 HydrophobicContact CD2-CB 4.24Å; E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CG 3.29Å; E22-K26 PolarHBondContact O-N 2.63Å; E22-K26 VanDerWaalsContact O-N 3.1Å; E22-K26 VanDerWaalsContact OE1-CE 3.24Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 3.74Å; E22-K26 PolarHBondContact OE1-NZ 2.63Å; L23-K26 PolarHBondContact O-N 3Å; C24-K26 VanDerWaalsContact C-N 3.31Å; C24-K26 PolarHBondContact O-N 2.91Å; K26-S29 PolarHBondContact O-N 3.48Å; K26-L30 PolarHBondContact O-N 3.38Å
27C98.1Very high97.2Very high0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-64-45.4175.4-750000112L23 C24 S29 L30 I31 P72 M116 T183L23-C27 PolarHBondContact O-N 3.37Å; L23-C27 VanDerWaalsContact O-N 3.11Å; C24-C27 PolarHBondContact O-N 3.16Å; C27-S29 VanDerWaalsContact C-N 3.35Å; C27-S29 PolarHBondContact O-N 2.7Å; C27-L30 WeakPolarHBondContact O-CB 3.27Å; C27-L30 PolarHBondContact O-N 2.92Å; C27-L30 VanDerWaalsContact O-N 3.14Å; C27-I31 WeakPolarHBondContact O-CG1 3.32Å; C27-I31 PolarHBondContact O-N 3.04Å; C27-P72 HydrophobicContact CB-CB 4.34Å; C27-P72 HydrophobicContact CB-CG 4.32Å; C27-M116 HydrophobicContact CB-CE 3.57Å; C27-M116 HydrophobicContact CB-SD 4.45Å; C27-T183 VanDerWaalsContact CB-O 3.32Å; C27-T183 WeakPolarHBondContact CB-O 3.28Å
28L98.6Very high97.3Very high4 Ų443.7 Ų43.72%0.02121%0.211CC..Hα-helixtrans-60.8-41.8176.1-72.9167.1000112.5C24 Q25 L30 I31 K32 V43 E45 L49 M116C24-L28 WeakPolarHBondContact O-CG 3.42Å; C24-L28 PolarHBondContact O-N 2.89Å; Q25-L28 PolarHBondContact O-N 3.42Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.04Å; L28-I31 HydrophobicContact CD2-CD1 4.43Å; L28-I31 WeakPolarHBondContact O-CB 3.25Å; L28-I31 PolarHBondContact O-N 3.35Å; L28-K32 WeakPolarHBondContact O-CG 3.38Å; L28-K32 PolarHBondContact O-N 3.17Å; L28-V43 HydrophobicContact CD2-CG1 4.02Å; L28-E45 HydrophobicContact CD1-CG 3.93Å; L28-E45 HydrophobicContact CD2-CB 3.98Å; L28-E45 HydrophobicContact CD2-CG 4.12Å; L28-L49 HydrophobicContact CD1-CD1 4.3Å; L28-L49 HydrophobicContact CD1-CD2 3.87Å; L28-L49 HydrophobicContact CD1-CG 3.81Å; L28-M116 HydrophobicContact CB-CE 4.49Å; L28-M116 HydrophobicContact CD2-CE 3.67Å; L28-M116 HydrophobicContact CG-CE 3.62Å
29S97.1Very high97.5Very high63 Ų6343.7 Ų43.744%0.44121%0.212SC..Hα-helixtrans-60.6-39.9174.9-62.20000111.5Q25 K26 C27 K32 K33Q25-S29 VanDerWaalsContact O-CB 3.3Å; Q25-S29 WeakPolarHBondContact O-CB 3.32Å; Q25-S29 PolarHBondContact O-N 3.47Å; Q25-S29 PolarHBondContact O-OG 3.11Å; K26-S29 PolarHBondContact O-N 3.48Å; C27-S29 VanDerWaalsContact C-N 3.35Å; C27-S29 PolarHBondContact O-N 2.7Å; S29-K32 PolarHBondContact O-N 3.42Å; S29-K33 PolarHBondContact O-N 2.9Å; S29-K33 VanDerWaalsContact O-N 3.13Å
30L95.9Very high97.5Very high21 Ų2142.4 Ų42.411%0.1120%0.202CC..Hα-helixtrans-69-41.1176.7-166.555.5000111.8L2 K26 C27 L28 K32 K33 T34 A181 F182 T183L2-L30 HydrophobicContact CD1-CD2 3.91Å; K26-L30 PolarHBondContact O-N 3.38Å; C27-L30 WeakPolarHBondContact O-CB 3.27Å; C27-L30 PolarHBondContact O-N 2.92Å; C27-L30 VanDerWaalsContact O-N 3.14Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.04Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 3.32Å; L30-K33 PolarHBondContact O-N 3.29Å; L30-K33 VanDerWaalsContact O-N 3.1Å; L30-T34 HydrophobicContact CD1-CG2 3.98Å; L30-T34 HydrophobicContact CG-CG2 4.18Å; L30-T34 WeakPolarHBondContact O-CB 3.37Å; L30-T34 WeakPolarHBondContact O-CG2 3.28Å; L30-T34 PolarHBondContact O-N 2.84Å; L30-T34 PolarHBondContact O-OG1 3.48Å; L30-A181 WeakPolarHBondContact CD2-O 3.49Å; L30-F182 HydrophobicContact CD2-CB 3.93Å; L30-T183 HydrophobicContact CB-CG2 4.33Å; L30-T183 HydrophobicContact CD2-CG2 4.41Å; L30-T183 HydrophobicContact CG-CG2 4.05Å
31I97.9Very high97.5Very high10 Ų1043.7 Ų43.75%0.05121%0.208CC..Hα-helixtrans-53.5-44.9173.2-68.5171.3000110.7C27 L28 T34 K35 Y40 V43 M116 T183C27-I31 WeakPolarHBondContact O-CG1 3.32Å; C27-I31 PolarHBondContact O-N 3.04Å; L28-I31 HydrophobicContact CD2-CD1 4.43Å; L28-I31 WeakPolarHBondContact O-CB 3.25Å; L28-I31 PolarHBondContact O-N 3.35Å; I31-T34 CarbonylContact O-C 3.41Å; I31-T34 PolarHBondContact O-N 3.43Å; I31-T34 PolarHBondContact O-OG1 3.13Å; I31-K35 PolarHBondContact O-N 2.92Å; I31-K35 VanDerWaalsContact O-N 3.15Å; I31-Y40 HydrophobicContact CD1-CE1 4.31Å; I31-Y40 HydrophobicContact CD1-CE2 3.96Å; I31-Y40 HydrophobicContact CG1-CD2 4.38Å; I31-Y40 HydrophobicContact CG1-CE2 3.76Å; I31-Y40 HydrophobicContact CG2-CD2 4.1Å; I31-Y40 HydrophobicContact CG2-CE2 4.32Å; I31-V43 HydrophobicContact CD1-CG1 4.36Å; I31-V43 HydrophobicContact CG2-CG1 4.1Å; I31-V43 HydrophobicContact CG2-CG2 3.61Å; I31-M116 HydrophobicContact CD1-CB 4.15Å; I31-M116 HydrophobicContact CD1-CE 3.81Å; I31-T183 HydrophobicContact CG1-CG2 3.8Å
32K97.3Very high97.5Very high124 Ų12444.3 Ų44.354%0.53921%0.212SC..Hα-helixtrans-61.7-46.3177.5-69.6173.9-175.61740111.6L28 S29 L30 K35 E45L28-K32 WeakPolarHBondContact O-CG 3.38Å; L28-K32 PolarHBondContact O-N 3.17Å; S29-K32 PolarHBondContact O-N 3.42Å; L30-K32 VanDerWaalsContact C-N 3.25Å; L30-K32 PolarHBondContact O-N 3.32Å; K32-K35 WeakPolarHBondContact O-CB 3.38Å; K32-K35 PolarHBondContact O-N 3.37Å; K32-E45 WeakPolarHBondContact CE-OE2 3.33Å; K32-E45 VanDerWaalsContact NZ-CD 3.31Å; K32-E45 IonicContact NZ-OE1 3.26Å; K32-E45 PolarHBondContact NZ-OE1 3.31Å; K32-E45 IonicContact NZ-OE2 2.81Å; K32-E45 PolarHBondContact NZ-OE2 3.34Å
33K95Very high97.6Very high76 Ų7644 Ų4433%0.3322%0.215SC..Hα-helixtrans-66.6-35.2178.2-71.9-179.5174.1-1720113S29 L30 K35 F36 L508 D511S29-K33 PolarHBondContact O-N 2.9Å; S29-K33 VanDerWaalsContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 3.29Å; L30-K33 VanDerWaalsContact O-N 3.1Å; K33-K35 VanDerWaalsContact C-N 3.34Å; K33-F36 WeakPolarHBondContact O-CD1 3.38Å; K33-F36 WeakPolarHBondContact O-CE1 3.16Å; K33-L508 HydrophobicContact CB-CD2 3.91Å; K33-D511 PolarHBondContact NZ-O 3.38Å; K33-D511 VanDerWaalsContact NZ-O 3.07Å
34T95.8Very high97.5Very high4 Ų444.5 Ų44.53%0.02522%0.218CC..THydrogen-bonded Turntrans-93.115.1-17962.20000113.5L30 I31 F36 L37 A181 L508L30-T34 HydrophobicContact CD1-CG2 3.98Å; L30-T34 HydrophobicContact CG-CG2 4.18Å; L30-T34 WeakPolarHBondContact O-CB 3.37Å; L30-T34 WeakPolarHBondContact O-CG2 3.28Å; L30-T34 PolarHBondContact O-N 2.84Å; L30-T34 PolarHBondContact O-OG1 3.48Å; I31-T34 CarbonylContact O-C 3.41Å; I31-T34 PolarHBondContact O-N 3.43Å; I31-T34 PolarHBondContact O-OG1 3.13Å; T34-F36 PolarHBondContact O-N 3.04Å; T34-L37 HydrophobicContact CG2-CD1 4.28Å; T34-L37 WeakPolarHBondContact O-CB 3.49Å; T34-L37 PolarHBondContact O-N 3.47Å; T34-A181 HydrophobicContact CG2-CB 4.39Å; T34-L508 HydrophobicContact CG2-CD1 3.69Å; T34-L508 HydrophobicContact CG2-CD2 3.48Å; T34-L508 VanDerWaalsContact CG2-CD2 3.48Å; T34-L508 HydrophobicContact CG2-CG 4.2Å
35K96.8Very high97.5Very high171 Ų17147.7 Ų47.774%0.74323%0.233SC*.G310 helixtrans-53.5-31.9-177.1-174.3178.3180-178.90112.8I31 K32 K33 L37 N38I31-K35 PolarHBondContact O-N 2.92Å; I31-K35 VanDerWaalsContact O-N 3.15Å; K32-K35 WeakPolarHBondContact O-CB 3.38Å; K32-K35 PolarHBondContact O-N 3.37Å; K33-K35 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 3.3Å; K35-N38 PolarHBondContact O-N 2.94Å
36F94.7Very high97.5Very high80 Ų8051.1 Ų51.135%0.35125%0.249SC..G310 helixtrans-62.8-18.6177.368.8-92.9000114.6K33 T34 N38 K139 Y144 L508K33-F36 WeakPolarHBondContact O-CD1 3.38Å; K33-F36 WeakPolarHBondContact O-CE1 3.16Å; T34-F36 PolarHBondContact O-N 3.04Å; F36-N38 VanDerWaalsContact C-N 3.26Å; F36-K139 WeakPolarHBondContact O-CD 3.37Å; F36-Y144 HydrophobicContact CD2-CE1 4.15Å; F36-Y144 HydrophobicContact CD2-CE2 4.09Å; F36-Y144 AromaticContact CD2-CZ 3.8Å; F36-Y144 AromaticContact CE2-CD1 3.87Å; F36-Y144 HydrophobicContact CE2-CD1 3.87Å; F36-Y144 AromaticContact CE2-CD2 3.78Å; F36-Y144 HydrophobicContact CE2-CD2 3.78Å; F36-Y144 AromaticContact CE2-CE1 3.73Å; F36-Y144 HydrophobicContact CE2-CE1 3.73Å; F36-Y144 AromaticContact CE2-CE2 3.6Å; F36-Y144 HydrophobicContact CE2-CE2 3.6Å; F36-Y144 AromaticContact CE2-CG 3.92Å; F36-Y144 HydrophobicContact CE2-CG 3.92Å; F36-Y144 AromaticContact CE2-CZ 3.59Å; F36-Y144 HydrophobicContact CZ-CD1 4.46Å; F36-Y144 HydrophobicContact CZ-CG 4.47Å; F36-L508 HydrophobicContact CE1-CD1 4.43Å; F36-L508 HydrophobicContact CE1-CD2 4.13Å; F36-L508 HydrophobicContact CZ-CD1 4.04Å
37L96.8Very high97.6Very high2 Ų250.2 Ų50.21%0.0125%0.249CC..G310 helixtrans-74-19.8173.1-62.3-179.1000112.6T34 K35 A39 V138 K139 P141 Y144 A181T34-L37 HydrophobicContact CG2-CD1 4.28Å; T34-L37 WeakPolarHBondContact O-CB 3.49Å; T34-L37 PolarHBondContact O-N 3.47Å; K35-L37 PolarHBondContact O-N 3.3Å; L37-A39 PolarHBondContact O-N 2.88Å; L37-V138 WeakPolarHBondContact O-CG1 3.46Å; L37-K139 HydrophobicContact CD2-CB 4.27Å; L37-K139 PolarHBondContact O-N 2.79Å; L37-P141 HydrophobicContact CD1-CB 4.42Å; L37-P141 HydrophobicContact CD1-CG 4.01Å; L37-Y144 HydrophobicContact CD2-CD2 3.79Å; L37-Y144 HydrophobicContact CD2-CE2 3.67Å; L37-A181 HydrophobicContact CD1-CB 3.75Å
38N98.6Very high97.6Very high44 Ų4450.2 Ų50.224%0.23525%0.249CC..  trans56.535.7-178.9-15934.8000113.7K35 F36 Y40 N120 F135 G136 P137K35-N38 PolarHBondContact O-N 2.94Å; F36-N38 VanDerWaalsContact C-N 3.26Å; N38-Y40 VanDerWaalsContact C-N 3.31Å; N38-Y40 PolarHBondContact O-N 3.15Å; N38-N120 PolarHBondContact ND2-ND2 3.18Å; N38-N120 VanDerWaalsContact ND2-ND2 3.17Å; N38-N120 WeakPolarHBondContact O-CB 3.3Å; N38-N120 PolarHBondContact O-ND2 3.35Å; N38-F135 PolarHBondContact ND2-O 2.77Å; N38-G136 PolarHBondContact ND2-O 3.21Å; N38-G136 VanDerWaalsContact ND2-O 3.13Å; N38-P137 WeakPolarHBondContact CB-O 3.48Å; N38-P137 PolarHBondContact ND2-O 3.29Å
39A98.8Very high97.6Very high6 Ų652 Ų525%0.0526%0.259CS..  trans-70.6-24.8-177.300000113.6L37 T119 N120 G174 A177 A178L37-A39 PolarHBondContact O-N 2.88Å; A39-T119 CarbonylContact O-C 3.46Å; A39-T119 VanDerWaalsContact O-CA 3.22Å; A39-T119 WeakPolarHBondContact O-CA 3.49Å; A39-T119 WeakPolarHBondContact O-CB 3.37Å; A39-N120 PolarHBondContact O-N 3.36Å; A39-G174 WeakPolarHBondContact O-CA 3.3Å; A39-A177 HydrophobicContact CB-CB 3.89Å; A39-A178 HydrophobicContact CB-CB 4.35Å
40Y98.9Very high97.7Very high21 Ų2155.1 Ų55.18%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-118.6134.2-177.4-63.7-95.9000110.7I31 N38 V43 A74 M116 K118 T119 A178 T183I31-Y40 HydrophobicContact CD1-CE1 4.31Å; I31-Y40 HydrophobicContact CD1-CE2 3.96Å; I31-Y40 HydrophobicContact CG1-CD2 4.38Å; I31-Y40 HydrophobicContact CG1-CE2 3.76Å; I31-Y40 HydrophobicContact CG2-CD2 4.1Å; I31-Y40 HydrophobicContact CG2-CE2 4.32Å; N38-Y40 VanDerWaalsContact C-N 3.31Å; N38-Y40 PolarHBondContact O-N 3.15Å; Y40-V43 HydrophobicContact CG-CG2 4.27Å; Y40-A74 HydrophobicContact CE1-CB 3.8Å; Y40-M116 HydrophobicContact CE1-CB 4.34Å; Y40-K118 CarbonylContact C-O 3.56Å; Y40-K118 WeakPolarHBondContact CA-O 3.43Å; Y40-T119 HydrophobicContact CD1-CG2 4.05Å; Y40-T119 HydrophobicContact CE1-CG2 3.95Å; Y40-A178 HydrophobicContact CE2-CB 3.89Å; Y40-A178 WeakPolarHBondContact OH-CB 3.24Å; Y40-T183 WeakPolarHBondContact CE2-OG1 3.34Å; Y40-T183 PolarHBondContact OH-OG1 3.04Å
41I98.8Very high97.8Very high29 Ų2955.8 Ų55.815%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-78.7-48.6165.1-69.8170.3000108.7D77 A89 K118 N120 L121 F135I41-D77 HydrophobicContact CD1-CB 3.87Å; I41-A89 HydrophobicContact CD1-CB 3.94Å; I41-K118 PolarHBondContact N-O 2.99Å; I41-N120 HydrophobicContact CD1-CB 4.32Å; I41-N120 HydrophobicContact CG1-CB 3.85Å; I41-L121 HydrophobicContact CD1-CD2 3.85Å; I41-F135 HydrophobicContact CD1-CD2 3.62Å; I41-F135 HydrophobicContact CD1-CE2 4.04Å; I41-F135 HydrophobicContact CD1-CG 4.27Å; I41-F135 HydrophobicContact CG1-CB 4.14Å; I41-F135 HydrophobicContact CG1-CD2 3.8Å; I41-F135 HydrophobicContact CG1-CE2 4.4Å; I41-F135 HydrophobicContact CG1-CG 3.92Å; I41-F135 HydrophobicContact CG2-CD1 4.02Å; I41-F135 HydrophobicContact CG2-CD2 4Å; I41-F135 HydrophobicContact CG2-CE1 3.85Å; I41-F135 HydrophobicContact CG2-CE2 3.85Å; I41-F135 HydrophobicContact CG2-CG 4.09Å; I41-F135 HydrophobicContact CG2-CZ 3.77Å
42T98.6Very high97.8Very high35 Ų3555.3 Ų55.322%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-127.7125.3-178.9-53.70000109.4I84 G117 K118T42-I84 HydrophobicContact CG2-CG2 4.17Å; T42-G117 CarbonylContact O-C 3.55Å; T42-G117 WeakPolarHBondContact O-CA 3.34Å; T42-K118 PolarHBondContact N-O 3.28Å; T42-K118 PolarHBondContact O-N 3.07Å
43V98.8Very high97.9Very high61 Ų6154.2 Ų54.237%0.3726%0.261SS..EExtended strand (participates in β ladder)trans-96.6125.4171.7-177.60000107.9L28 I31 Y40 E45L28-V43 HydrophobicContact CD2-CG1 4.02Å; I31-V43 HydrophobicContact CD1-CG1 4.36Å; I31-V43 HydrophobicContact CG2-CG1 4.1Å; I31-V43 HydrophobicContact CG2-CG2 3.61Å; Y40-V43 HydrophobicContact CG-CG2 4.27Å; V43-E45 HydrophobicContact CG1-CB 4.48Å; V43-E45 PolarHBondContact O-N 2.77Å
44S97.6Very high98.1Very high9 Ų954.5 Ų54.56%0.06326%0.264CS..  trans-98.155.4-176.451.70000111.5E46 V47 A48 L115 M116 G117S44-E46 PolarHBondContact O-N 3.28Å; S44-V47 PolarHBondContact O-N 3.26Å; S44-A48 WeakPolarHBondContact O-CB 3.43Å; S44-A48 PolarHBondContact O-N 2.74Å; S44-L115 PolarHBondContact OG-O 2.86Å; S44-M116 PolarHBondContact N-O 3.26Å; S44-M116 PolarHBondContact OG-O 2.63Å; S44-G117 VanDerWaalsContact OG-CA 3.32Å; S44-G117 WeakPolarHBondContact OG-CA 3.35Å; S44-G117 PolarHBondContact OG-N 3.21Å; S44-G117 VanDerWaalsContact OG-N 3.14Å
45E98.4Very high98.2Very high68 Ų6854.3 Ų54.332%0.31826%0.263SS..Hα-helixtrans-54.3-50.6-173177.5159.3-175.600112.9L28 K32 V43 V47 A48 L49L28-E45 HydrophobicContact CD1-CG 3.93Å; L28-E45 HydrophobicContact CD2-CB 3.98Å; L28-E45 HydrophobicContact CD2-CG 4.12Å; K32-E45 WeakPolarHBondContact CE-OE2 3.33Å; K32-E45 VanDerWaalsContact NZ-CD 3.31Å; K32-E45 IonicContact NZ-OE1 3.26Å; K32-E45 PolarHBondContact NZ-OE1 3.31Å; K32-E45 IonicContact NZ-OE2 2.81Å; K32-E45 PolarHBondContact NZ-OE2 3.34Å; V43-E45 HydrophobicContact CG1-CB 4.48Å; V43-E45 PolarHBondContact O-N 2.77Å; E45-V47 PolarHBondContact O-N 3.13Å; E45-A48 PolarHBondContact O-N 3.32Å; E45-L49 HydrophobicContact CG-CD1 4.07Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 WeakPolarHBondContact O-CG 3.48Å; E45-L49 PolarHBondContact O-N 2.8Å
46E98.2Very high98.3Very high171 Ų17147.7 Ų47.780%0.79924%0.235SC*.Hα-helixtrans-63.8-42.3-179.8-63.3-178.3177.500112.5S44 K50S44-E46 PolarHBondContact O-N 3.28Å; E46-K50 WeakPolarHBondContact O-CB 3.43Å; E46-K50 PolarHBondContact O-N 3.43Å
47V98.3Very high98.5Very high55 Ų5549.8 Ų49.833%0.33324%0.243SC..Hα-helixtrans-64.8-46.4178.3175.30000110.3S44 E45 L49 K50 Q51 I84S44-V47 PolarHBondContact O-N 3.26Å; E45-V47 PolarHBondContact O-N 3.13Å; V47-L49 PolarHBondContact O-N 2.88Å; V47-K50 PolarHBondContact O-N 3.23Å; V47-Q51 HydrophobicContact CG1-CG 4.4Å; V47-Q51 WeakPolarHBondContact O-CB 3.44Å; V47-Q51 VanDerWaalsContact O-CG 3.23Å; V47-Q51 WeakPolarHBondContact O-CG 3.33Å; V47-Q51 PolarHBondContact O-N 3.28Å; V47-I84 HydrophobicContact CG2-CD1 4.36Å
48A98.6Very high98.5Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-61.4-45.2-179.500000111.6S44 E45 Q51 A52 L115 M116S44-A48 WeakPolarHBondContact O-CB 3.43Å; S44-A48 PolarHBondContact O-N 2.74Å; E45-A48 PolarHBondContact O-N 3.32Å; A48-Q51 PolarHBondContact O-N 3.25Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 3.31Å; A48-L115 WeakPolarHBondContact CB-O 3.5Å; A48-M116 HydrophobicContact CB-SD 4.09Å
49L98.8Very high98.5Very high43 Ų4351.6 Ų51.623%0.22525%0.247CC..Hα-helixtrans-64.6-44.6178.8-73.2171.7000111.8Q25 L28 E45 V47 Q51 A52 E53Q25-L49 HydrophobicContact CG-CD2 3.81Å; L28-L49 HydrophobicContact CD1-CD1 4.3Å; L28-L49 HydrophobicContact CD1-CD2 3.87Å; L28-L49 HydrophobicContact CD1-CG 3.81Å; E45-L49 HydrophobicContact CG-CD1 4.07Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 WeakPolarHBondContact O-CG 3.48Å; E45-L49 PolarHBondContact O-N 2.8Å; V47-L49 PolarHBondContact O-N 2.88Å; L49-Q51 PolarHBondContact O-N 3.14Å; L49-A52 WeakPolarHBondContact O-CB 3.35Å; L49-A52 PolarHBondContact O-N 3.35Å; L49-A52 VanDerWaalsContact O-N 3.13Å; L49-E53 WeakPolarHBondContact O-CG 3.09Å; L49-E53 PolarHBondContact O-N 3.36Å
50K98.8Very high98.3Very high128 Ų12858.4 Ų58.456%0.55728%0.276SS*.Hα-helixtrans-60.6-45.9176.3-177-179175.5-174.50111.8E46 V47 A52 E53 E54E46-K50 WeakPolarHBondContact O-CB 3.43Å; E46-K50 PolarHBondContact O-N 3.43Å; V47-K50 PolarHBondContact O-N 3.23Å; K50-A52 PolarHBondContact O-N 2.9Å; K50-E53 PolarHBondContact O-N 3.03Å; K50-E54 VanDerWaalsContact CE-OE1 3.25Å; K50-E54 WeakPolarHBondContact CE-OE1 3.31Å; K50-E54 WeakPolarHBondContact O-CG 3.47Å; K50-E54 PolarHBondContact O-N 3.35Å
51Q98.8Very high98.2Very high34 Ų3462.9 Ų62.916%0.15930%0.301CS..Hα-helixtrans-61.2-36.2175.8-71.6169.2-18.200111.6V47 A48 L49 E54 S55 L109 L114V47-Q51 HydrophobicContact CG1-CG 4.4Å; V47-Q51 WeakPolarHBondContact O-CB 3.44Å; V47-Q51 VanDerWaalsContact O-CG 3.23Å; V47-Q51 WeakPolarHBondContact O-CG 3.33Å; V47-Q51 PolarHBondContact O-N 3.28Å; A48-Q51 PolarHBondContact O-N 3.25Å; L49-Q51 PolarHBondContact O-N 3.14Å; Q51-E54 PolarHBondContact O-N 2.69Å; Q51-S55 WeakPolarHBondContact O-CB 3.2Å; Q51-S55 PolarHBondContact O-N 3.1Å; Q51-L109 VanDerWaalsContact NE2-CD2 3.28Å; Q51-L114 HydrophobicContact CB-CD2 3.53Å
52A98.8Very high98Very high0 Ų064.9 Ų64.90%033%0.328CS..Hα-helixtrans-67-43.3177.600000111.8P20 C24 A48 L49 K50 E54 S55 E56 L114P20-A52 HydrophobicContact CB-CB 4.39Å; C24-A52 HydrophobicContact CB-CB 3.75Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 3.31Å; L49-A52 WeakPolarHBondContact O-CB 3.35Å; L49-A52 PolarHBondContact O-N 3.35Å; L49-A52 VanDerWaalsContact O-N 3.13Å; K50-A52 PolarHBondContact O-N 2.9Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 3.11Å; A52-S55 PolarHBondContact O-N 3.12Å; A52-E56 WeakPolarHBondContact O-CB 3.4Å; A52-E56 PolarHBondContact O-N 2.75Å; A52-L114 HydrophobicContact CB-CD1 3.78Å; A52-L114 HydrophobicContact CB-CD2 4.21Å
53E98.8Very high97.9Very high101 Ų10168.9 Ų68.947%0.47235%0.345SS..Hα-helixtrans-62.2-41174.6-70.6176.9-171.700112.2L49 K50 E56 K57L49-E53 WeakPolarHBondContact O-CG 3.09Å; L49-E53 PolarHBondContact O-N 3.36Å; K50-E53 PolarHBondContact O-N 3.03Å; E53-E56 PolarHBondContact O-N 3.31Å; E53-K57 WeakPolarHBondContact O-CG 3.4Å; E53-K57 PolarHBondContact O-N 2.85Å
54E98.7Very high97.7Very high82 Ų8268 Ų6838%0.38334%0.341SS..Hα-helixtrans-64.8-42.6175.6-71172.6-177.800111.6K50 Q51 A52 K57 R58K50-E54 VanDerWaalsContact CE-OE1 3.25Å; K50-E54 WeakPolarHBondContact CE-OE1 3.31Å; K50-E54 WeakPolarHBondContact O-CG 3.47Å; K50-E54 PolarHBondContact O-N 3.35Å; Q51-E54 PolarHBondContact O-N 2.69Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 3.11Å; E54-K57 PolarHBondContact O-N 3.49Å; E54-R58 WeakPolarHBondContact O-CG 3.29Å; E54-R58 PolarHBondContact O-N 3.12Å
55S98.7Very high97.6Very high0 Ų071.4 Ų71.40%036%0.358CS..Hα-helixtrans-61.8-44.6173.5-175.80000111.8P20 Q51 A52 K57 R58 Y59 D69 G70P20-S55 WeakPolarHBondContact CG-OG 3.24Å; Q51-S55 WeakPolarHBondContact O-CB 3.2Å; Q51-S55 PolarHBondContact O-N 3.1Å; A52-S55 PolarHBondContact O-N 3.12Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.12Å; S55-R58 VanDerWaalsContact CA-NH2 3.29Å; S55-R58 WeakPolarHBondContact O-CA 3.23Å; S55-R58 WeakPolarHBondContact O-CB 3.44Å; S55-R58 PolarHBondContact O-N 3.46Å; S55-Y59 VanDerWaalsContact O-CD2 3.27Å; S55-Y59 WeakPolarHBondContact O-CD2 3.45Å; S55-Y59 PolarHBondContact O-N 3.46Å; S55-Y59 WeakPolarHBondContact OG-CE2 3.49Å; S55-D69 VanDerWaalsContact CB-OD1 3.27Å; S55-D69 WeakPolarHBondContact CB-OD1 3.42Å; S55-D69 PolarHBondContact OG-OD1 3.06Å; S55-G70 WeakPolarHBondContact OG-CA 3.5Å; S55-G70 PolarHBondContact OG-N 3.36Å; S55-G70 VanDerWaalsContact OG-N 3.11Å
56E98.4Very high97.3Very high33 Ų3369.2 Ų69.215%0.15435%0.354CS..Hα-helixtrans-62.9-39.1179.1-170.4176.1139.200111.7T19 P20 T21 A52 E53 Y59 K60T19-E56 VanDerWaalsContact CB-OE2 3.27Å; T19-E56 WeakPolarHBondContact CB-OE2 3.4Å; T19-E56 PolarHBondContact OG1-OE2 3.27Å; T19-E56 VanDerWaalsContact OG1-OE2 3.09Å; P20-E56 HydrophobicContact CG-CB 4.2Å; T21-E56 WeakPolarHBondContact CB-OE2 3.16Å; T21-E56 PolarHBondContact OG1-OE2 3.16Å; A52-E56 WeakPolarHBondContact O-CB 3.4Å; A52-E56 PolarHBondContact O-N 2.75Å; E53-E56 PolarHBondContact O-N 3.31Å; E56-Y59 PolarHBondContact O-N 3.02Å; E56-K60 HydrophobicContact CG-CD 4.49Å; E56-K60 WeakPolarHBondContact O-CG 3.41Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact OE1-CE 3.28Å; E56-K60 WeakPolarHBondContact OE1-CE 3.44Å; E56-K60 IonicContact OE1-NZ 3.9Å; E56-K60 PolarHBondContact OE1-NZ 3.21Å
57K98.3Very high97.1Very high124 Ų12464.3 Ų64.354%0.53933%0.333SS..Hα-helixtrans-60.9-43.6171.6-72.1169.8-171.6168.40111.6E53 E54 S55 K60 N61E53-K57 WeakPolarHBondContact O-CG 3.4Å; E53-K57 PolarHBondContact O-N 2.85Å; E54-K57 PolarHBondContact O-N 3.49Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.12Å; K57-K60 PolarHBondContact O-N 3.03Å; K57-N61 PolarHBondContact O-N 3.33Å; K57-N61 VanDerWaalsContact O-N 3.11Å; K57-N61 PolarHBondContact O-ND2 2.97Å
58R98.2Very high97.1Very high47 Ų4761.9 Ų61.918%0.17732%0.318CS..Hα-helixtrans-60-46.5175.4-74-171.8-64-89.25.5111.8E54 S55 K60 N61 G62 Q63 D69E54-R58 WeakPolarHBondContact O-CG 3.29Å; E54-R58 PolarHBondContact O-N 3.12Å; S55-R58 VanDerWaalsContact CA-NH2 3.29Å; S55-R58 WeakPolarHBondContact O-CA 3.23Å; S55-R58 WeakPolarHBondContact O-CB 3.44Å; S55-R58 PolarHBondContact O-N 3.46Å; R58-K60 PolarHBondContact O-N 3.41Å; R58-N61 CarbonylContact O-C 3.48Å; R58-N61 PolarHBondContact O-N 2.95Å; R58-G62 PolarHBondContact O-N 3.47Å; R58-G62 VanDerWaalsContact O-N 3.13Å; R58-Q63 HydrophobicContact CB-CB 4.44Å; R58-Q63 PolarHBondContact O-N 3.39Å; R58-D69 IonicContact CZ-OD1 3.92Å; R58-D69 IonicContact CZ-OD2 3.75Å; R58-D69 IonicContact NE-OD1 3.29Å; R58-D69 PolarHBondContact NE-OD1 3.46Å; R58-D69 IonicContact NE-OD2 2.99Å; R58-D69 PolarHBondContact NE-OD2 3.49Å; R58-D69 IonicContact NH2-OD1 2.69Å; R58-D69 PolarHBondContact NH2-OD1 3.04Å; R58-D69 IonicContact NH2-OD2 2.87Å
59Y97.1Very high97.1Very high37 Ų3761.9 Ų61.915%0.14532%0.318CS..Hα-helixtrans-60.4-45.5176.1-81.9-71.8000112.5L13 K14 P20 S55 E56 N61 G62 S64 D69L13-Y59 HydrophobicContact CB-CE1 4.03Å; L13-Y59 HydrophobicContact CB-CE2 4.13Å; L13-Y59 HydrophobicContact CD1-CE2 4.48Å; K14-Y59 HydrophobicContact CB-CE1 4.48Å; K14-Y59 HydrophobicContact CG-CE1 3.83Å; P20-Y59 HydrophobicContact CG-CD2 3.59Å; P20-Y59 HydrophobicContact CG-CE2 3.79Å; S55-Y59 VanDerWaalsContact O-CD2 3.27Å; S55-Y59 WeakPolarHBondContact O-CD2 3.45Å; S55-Y59 PolarHBondContact O-N 3.46Å; S55-Y59 WeakPolarHBondContact OG-CE2 3.49Å; E56-Y59 PolarHBondContact O-N 3.02Å; Y59-N61 PolarHBondContact O-N 3.07Å; Y59-G62 PolarHBondContact O-N 3.43Å; Y59-S64 WeakPolarHBondContact CE1-OG 3.39Å; Y59-D69 HydrophobicContact CE2-CB 4.31Å; Y59-D69 WeakPolarHBondContact CE2-O 3.28Å; Y59-D69 PolarHBondContact OH-O 3.49Å
60K95.5Very high97.1Very high149 Ų14959.8 Ų59.865%0.64831%0.308SS*.Hα-helixtrans-59.5-31177.1-75.1174.2-176.2166.10113.2E56 K57 R58E56-K60 HydrophobicContact CG-CD 4.49Å; E56-K60 WeakPolarHBondContact O-CG 3.41Å; E56-K60 PolarHBondContact O-N 3.48Å; E56-K60 VanDerWaalsContact OE1-CE 3.28Å; E56-K60 WeakPolarHBondContact OE1-CE 3.44Å; E56-K60 IonicContact OE1-NZ 3.9Å; E56-K60 PolarHBondContact OE1-NZ 3.21Å; K57-K60 PolarHBondContact O-N 3.03Å; R58-K60 PolarHBondContact O-N 3.41Å
61N96.5Very high97.1Very high114 Ų11453.7 Ų53.761%0.6128%0.281SS*.THydrogen-bonded Turntrans-920.3178.9-65-18.1000113.8K57 R58 Y59 Q63K57-N61 PolarHBondContact O-N 3.33Å; K57-N61 VanDerWaalsContact O-N 3.11Å; K57-N61 PolarHBondContact O-ND2 2.97Å; R58-N61 CarbonylContact O-C 3.48Å; R58-N61 PolarHBondContact O-N 2.95Å; Y59-N61 PolarHBondContact O-N 3.07Å; N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 HydrophobicContact CB-CG 4.07Å; N61-Q63 PolarHBondContact O-N 3.49Å
62G94.8Very high97.1Very high71 Ų7152.1 Ų52.173%0.73227%0.274SS*.THydrogen-bonded Turntrans69.425.7-174.900000114.2R58 Y59R58-G62 PolarHBondContact O-N 3.47Å; R58-G62 VanDerWaalsContact O-N 3.13Å; Y59-G62 PolarHBondContact O-N 3.43Å
63Q96.6Very high97.1Very high120 Ų12052.3 Ų52.356%0.56128%0.275SS*.  trans-113.932.5-173.5-64.7176.6-37.700112.7R58 N61R58-Q63 HydrophobicContact CB-CB 4.44Å; R58-Q63 PolarHBondContact O-N 3.39Å; N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 HydrophobicContact CB-CG 4.07Å; N61-Q63 PolarHBondContact O-N 3.49Å
64S95.1Very high97.1Very high42 Ų4247.5 Ų47.529%0.29425%0.253SS..  trans-58138.4177.5173.80000111.4Y59 G66 D69Y59-S64 WeakPolarHBondContact CE1-OG 3.39Å; S64-G66 PolarHBondContact OG-O 2.85Å; S64-D69 WeakPolarHBondContact CA-OD2 3.37Å
65L95.4Very high97.1Very high80 Ų8043.7 Ų43.742%0.41924%0.235SC..  trans-82.3-8.6-176.2-61.1176.7000114.3D69L65-D69 HydrophobicContact CB-CB 4.12Å; L65-D69 PolarHBondContact N-OD2 3.01Å
66G91.8Very high97.1Very high22 Ų2243.7 Ų43.723%0.22724%0.235CC..SBendtrans140.8-159.5-179.500000112.8S64 L68 D69S64-G66 PolarHBondContact OG-O 2.85Å; G66-L68 VanDerWaalsContact C-N 3.27Å; G66-L68 PolarHBondContact O-N 3.46Å; G66-D69 PolarHBondContact O-N 3.02Å
67D93.9Very high97.1Very high69 Ų6942.1 Ų42.137%0.36923%0.227SC..THydrogen-bonded Turntrans-72.5-21-173.5-69-20.8000113.7S10 K14 I71 I242S10-D67 WeakPolarHBondContact CB-O 3.47Å; S10-D67 WeakPolarHBondContact OG-CA 3.44Å; S10-D67 PolarHBondContact OG-O 3.38Å; K14-D67 IonicContact NZ-OD1 2.63Å; K14-D67 PolarHBondContact NZ-OD1 3.02Å; D67-I71 WeakPolarHBondContact O-CG1 3.18Å; D67-I242 HydrophobicContact CB-CG2 4.08Å
68L97.6Very high97.2Very high3 Ų336.3 Ų36.32%0.01620%0.202CC..THydrogen-bonded Turntrans-93.6-5.1178.2-63.9175.8000114L6 G66 G70 I71 L108 Q111 A113 I242 V243 A246L6-L68 HydrophobicContact CD1-CD2 3.66Å; L6-L68 HydrophobicContact CD2-CD2 4.13Å; L6-L68 HydrophobicContact CG-CD2 4.43Å; G66-L68 VanDerWaalsContact C-N 3.27Å; G66-L68 PolarHBondContact O-N 3.46Å; L68-G70 PolarHBondContact O-N 3.11Å; L68-G70 VanDerWaalsContact O-N 3.15Å; L68-I71 WeakPolarHBondContact O-CB 3.27Å; L68-I71 PolarHBondContact O-N 2.93Å; L68-L108 HydrophobicContact CD1-CD2 3.9Å; L68-Q111 CarbonylContact C-O 3.58Å; L68-Q111 HydrophobicContact CB-CB 3.93Å; L68-Q111 HydrophobicContact CD1-CB 4.11Å; L68-Q111 HydrophobicContact CD1-CG 4.39Å; L68-A113 HydrophobicContact CB-CB 4.47Å; L68-A113 WeakPolarHBondContact O-CA 3.35Å; L68-A113 PolarHBondContact O-N 3.34Å; L68-I242 HydrophobicContact CD2-CG2 4.04Å; L68-I242 HydrophobicContact CG-CG2 4.23Å; L68-V243 HydrophobicContact CD2-CG2 4.4Å; L68-A246 HydrophobicContact CD1-CB 3.56Å
69D98.6Very high97.2Very high0 Ų034.1 Ų34.10%019%0.194CC..THydrogen-bonded Turntrans-67117.6-176.8-166.5-2.1000110.3S55 R58 Y59 S64 L65 G66 Q111S55-D69 VanDerWaalsContact CB-OD1 3.27Å; S55-D69 WeakPolarHBondContact CB-OD1 3.42Å; S55-D69 PolarHBondContact OG-OD1 3.06Å; R58-D69 IonicContact CZ-OD1 3.92Å; R58-D69 IonicContact CZ-OD2 3.75Å; R58-D69 IonicContact NE-OD1 3.29Å; R58-D69 PolarHBondContact NE-OD1 3.46Å; R58-D69 IonicContact NE-OD2 2.99Å; R58-D69 PolarHBondContact NE-OD2 3.49Å; R58-D69 IonicContact NH2-OD1 2.69Å; R58-D69 PolarHBondContact NH2-OD1 3.04Å; R58-D69 IonicContact NH2-OD2 2.87Å; Y59-D69 HydrophobicContact CE2-CB 4.31Å; Y59-D69 WeakPolarHBondContact CE2-O 3.28Å; Y59-D69 PolarHBondContact OH-O 3.49Å; S64-D69 WeakPolarHBondContact CA-OD2 3.37Å; L65-D69 HydrophobicContact CB-CB 4.12Å; L65-D69 PolarHBondContact N-OD2 3.01Å; G66-D69 PolarHBondContact O-N 3.02Å; D69-Q111 VanDerWaalsContact CA-O 3.29Å; D69-Q111 WeakPolarHBondContact CA-O 3.47Å; D69-Q111 PolarHBondContact N-O 3.33Å; D69-Q111 VanDerWaalsContact N-O 3.16Å
70G98.4Very high97.3Very high0 Ų032.4 Ų32.40%019%0.188CC..THydrogen-bonded Turntrans82.29-177.200000114.6S55 L68 P72 G112 L114S55-G70 WeakPolarHBondContact OG-CA 3.5Å; S55-G70 PolarHBondContact OG-N 3.36Å; S55-G70 VanDerWaalsContact OG-N 3.11Å; L68-G70 PolarHBondContact O-N 3.11Å; L68-G70 VanDerWaalsContact O-N 3.15Å; G70-P72 WeakPolarHBondContact O-CD 3.36Å; G70-G112 PolarHBondContact N-O 3.33Å; G70-L114 VanDerWaalsContact O-CD1 3.29Å; G70-L114 WeakPolarHBondContact O-CD1 3.39Å
71I98.6Very high97.4Very high0 Ų025.4 Ų25.40%016%0.157CC..  trans-89124.7179.4-59.3-59.4000111.5L6 V9 L13 D67 L68 V73 L114 Y185L6-I71 HydrophobicContact CD1-CG2 3.88Å; L6-I71 HydrophobicContact CD2-CG1 4.41Å; L6-I71 HydrophobicContact CG-CD1 4.48Å; L6-I71 HydrophobicContact CG-CG1 4.29Å; L6-I71 HydrophobicContact CG-CG2 3.93Å; V9-I71 HydrophobicContact CB-CD1 4.41Å; V9-I71 HydrophobicContact CG1-CD1 3.86Å; L13-I71 HydrophobicContact CD1-CD1 3.77Å; D67-I71 WeakPolarHBondContact O-CG1 3.18Å; L68-I71 WeakPolarHBondContact O-CB 3.27Å; L68-I71 PolarHBondContact O-N 2.93Å; I71-V73 HydrophobicContact CG2-CG1 4.49Å; I71-V73 PolarHBondContact O-N 3.43Å; I71-L114 PolarHBondContact O-N 2.68Å; I71-Y185 HydrophobicContact CG2-CD2 4.22Å; I71-Y185 HydrophobicContact CG2-CG 4.19Å
72P98.8Very high97.5Very high0 Ų022.9 Ų22.90%015%0.148CC..EExtended strand (participates in β ladder)trans-60.9121170.7-29.438.8000114.2L23 C27 G70 L114 M116 C184 Y185L23-P72 HydrophobicContact CD2-CG 4.17Å; L23-P72 HydrophobicContact CG-CG 3.93Å; C27-P72 HydrophobicContact CB-CB 4.34Å; C27-P72 HydrophobicContact CB-CG 4.32Å; G70-P72 WeakPolarHBondContact O-CD 3.36Å; P72-L114 HydrophobicContact CG-CD1 4.43Å; P72-M116 HydrophobicContact CB-CG 3.71Å; P72-M116 HydrophobicContact CB-SD 3.68Å; P72-M116 HydrophobicContact CG-SD 4.27Å; P72-C184 HydrophobicContact CB-CB 4.5Å; P72-Y185 HydrophobicContact CB-CD2 4.26Å; P72-Y185 HydrophobicContact CG-CD2 4.3Å; P72-Y185 HydrophobicContact CG-CE2 4.36Å; P72-Y185 PolarHBondContact O-N 3Å
73V98.9Very high97.6Very high5 Ų522.2 Ų22.23%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-127.9149.1174.9-59.30000111.6I71 L108 A113 L114 M116 A186I71-V73 HydrophobicContact CG2-CG1 4.49Å; I71-V73 PolarHBondContact O-N 3.43Å; V73-L108 HydrophobicContact CG2-CD1 4.36Å; V73-A113 HydrophobicContact CG1-CB 4.13Å; V73-A113 HydrophobicContact CG2-CB 3.79Å; V73-L114 PolarHBondContact N-O 3.22Å; V73-M116 WeakPolarHBondContact O-CG 3.42Å; V73-M116 PolarHBondContact O-N 2.83Å; V73-A186 VanDerWaalsContact CA-O 3.26Å; V73-A186 WeakPolarHBondContact CA-O 3.3Å; V73-A186 HydrophobicContact CG1-CB 4.35Å
74A98.9Very high97.6Very high0 Ų017.4 Ų17.40%012%0.12CC..EExtended strand (participates in β ladder)trans-115.9154.8174.400000111.2Y40 T119 A178 C184 A186 A187 L188Y40-A74 HydrophobicContact CE1-CB 3.8Å; A74-T119 HydrophobicContact CB-CG2 3.59Å; A74-A178 HydrophobicContact CB-CB 4.47Å; A74-C184 HydrophobicContact CB-CB 4.28Å; A74-A186 PolarHBondContact N-O 3.2Å; A74-A187 HydrophobicContact CB-CB 4.06Å; A74-A187 CarbonylContact O-C 3.58Å; A74-A187 WeakPolarHBondContact O-CA 3.47Å; A74-L188 PolarHBondContact O-N 3.49Å
75V98.9Very high97.8Very high1 Ų118.1 Ų18.11%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-132.1127.5-175.1174.30000110D77 F79 V105 L115 G117 K118 T119 L188V75-D77 PolarHBondContact O-N 3.08Å; V75-F79 HydrophobicContact CG1-CB 3.56Å; V75-F79 HydrophobicContact CG1-CD2 3.85Å; V75-F79 HydrophobicContact CG1-CG 3.98Å; V75-V105 HydrophobicContact CG1-CG2 3.77Å; V75-V105 HydrophobicContact CG2-CG2 4.26Å; V75-L115 HydrophobicContact CB-CD1 4.02Å; V75-L115 HydrophobicContact CG2-CD1 3.57Å; V75-G117 PolarHBondContact N-O 2.98Å; V75-G117 VanDerWaalsContact N-O 3.09Å; V75-K118 CarbonylContact O-C 3.55Å; V75-K118 WeakPolarHBondContact O-CA 3.37Å; V75-T119 PolarHBondContact O-N 3.1Å; V75-L188 HydrophobicContact CG1-CB 4.49Å; V75-L188 HydrophobicContact CG1-CD1 4.34Å; V75-L188 HydrophobicContact CG2-CD1 4.1Å; V75-L188 HydrophobicContact CG2-CG 4.33Å
76K98.9Very high98Very high0 Ų014.3 Ų14.30%010%0.099CC..EExtended strand (participates in β ladder)trans-54.2139174.7-167.2177177.3-1790112.4N78 F79 T119 L121 S171 S172 L188 S190K76-N78 WeakPolarHBondContact CB-OD1 3.43Å; K76-N78 VanDerWaalsContact CD-OD1 3.32Å; K76-N78 WeakPolarHBondContact CD-OD1 3.44Å; K76-N78 VanDerWaalsContact CG-OD1 3.24Å; K76-N78 WeakPolarHBondContact CG-OD1 3.25Å; K76-N78 PolarHBondContact O-N 3.08Å; K76-F79 HydrophobicContact CB-CD2 3.97Å; K76-F79 HydrophobicContact CB-CE2 4.01Å; K76-F79 WeakPolarHBondContact O-CD2 3.3Å; K76-F79 PolarHBondContact O-N 3.06Å; K76-T119 WeakPolarHBondContact CA-OG1 3.12Å; K76-T119 PolarHBondContact N-OG1 3.4Å; K76-L121 HydrophobicContact CD-CB 4.43Å; K76-L121 HydrophobicContact CD-CD1 4.42Å; K76-L121 VanDerWaalsContact CE-CB 3.46Å; K76-L121 HydrophobicContact CG-CB 4.2Å; K76-L121 HydrophobicContact CG-CD1 4.16Å; K76-S171 VanDerWaalsContact CE-O 3.23Å; K76-S171 WeakPolarHBondContact CE-O 3.31Å; K76-S171 VanDerWaalsContact NZ-C 3.34Å; K76-S171 PolarHBondContact NZ-O 3.35Å; K76-S171 PolarHBondContact NZ-OG 3.04Å; K76-S172 WeakPolarHBondContact CD-OG 3.44Å; K76-S172 PolarHBondContact NZ-OG 3.16Å; K76-L188 WeakPolarHBondContact CB-O 3.5Å; K76-L188 PolarHBondContact N-O 3.12Å; K76-L188 VanDerWaalsContact N-O 3.13Å; K76-S190 PolarHBondContact NZ-OG 3.42Å
77D98.9Very high98.3Very high0 Ų013.3 Ų13.30%09%0.088CC..THydrogen-bonded Turntrans-74.216.7-174-162.845.8000114.9I41 V75 T86 T87 C88 K118 T119 L121I41-D77 HydrophobicContact CD1-CB 3.87Å; V75-D77 PolarHBondContact O-N 3.08Å; D77-T86 VanDerWaalsContact O-CG2 3.25Å; D77-T86 WeakPolarHBondContact O-CG2 3.47Å; D77-T86 WeakPolarHBondContact OD1-CA 3.41Å; D77-T87 WeakPolarHBondContact OD2-CA 3.44Å; D77-T87 VanDerWaalsContact OD2-CB 3.32Å; D77-T87 WeakPolarHBondContact OD2-CB 3.35Å; D77-T87 PolarHBondContact OD2-N 2.95Å; D77-T87 PolarHBondContact OD2-OG1 2.56Å; D77-C88 WeakPolarHBondContact O-CA 3.3Å; D77-C88 PolarHBondContact O-N 2.94Å; D77-C88 PolarHBondContact OD2-N 2.8Å; D77-K118 HydrophobicContact CB-CB 3.94Å; D77-K118 VanDerWaalsContact OD1-CB 3.27Å; D77-K118 WeakPolarHBondContact OD1-CB 3.23Å; D77-K118 WeakPolarHBondContact OD1-CE 3.32Å; D77-K118 IonicContact OD1-NZ 2.74Å; D77-K118 PolarHBondContact OD1-NZ 3.47Å; D77-T119 VanDerWaalsContact CB-O 3.29Å; D77-T119 WeakPolarHBondContact CB-O 3.4Å; D77-T119 PolarHBondContact N-O 3.41Å; D77-L121 HydrophobicContact CB-CD2 3.66Å
78N98.8Very high98.5Very high3 Ų310 Ų102%0.0167%0.07CC..THydrogen-bonded Turntrans-104.45.8164.366.8-15.8000113.4K76 L121 S190 L220 I221K76-N78 WeakPolarHBondContact CB-OD1 3.43Å; K76-N78 VanDerWaalsContact CD-OD1 3.32Å; K76-N78 WeakPolarHBondContact CD-OD1 3.44Å; K76-N78 VanDerWaalsContact CG-OD1 3.24Å; K76-N78 WeakPolarHBondContact CG-OD1 3.25Å; K76-N78 PolarHBondContact O-N 3.08Å; N78-L121 HydrophobicContact CB-CD1 3.94Å; N78-S190 PolarHBondContact ND2-OG 3.07Å; N78-L220 HydrophobicContact CB-CD1 4.37Å; N78-I221 PolarHBondContact O-N 2.97Å
79F98.9Very high98.6Very high1 Ų19.9 Ų9.90%0.0047%0.069CC..BIsolated β-bridgetrans-95.5133.5165.7-64.8-84.2000110.3V75 K76 T81 T86 A102 V104 V105 K118 L188 G189 L220 P230V75-F79 HydrophobicContact CG1-CB 3.56Å; V75-F79 HydrophobicContact CG1-CD2 3.85Å; V75-F79 HydrophobicContact CG1-CG 3.98Å; K76-F79 HydrophobicContact CB-CD2 3.97Å; K76-F79 HydrophobicContact CB-CE2 4.01Å; K76-F79 WeakPolarHBondContact O-CD2 3.3Å; K76-F79 PolarHBondContact O-N 3.06Å; F79-T81 PolarHBondContact O-N 3.34Å; F79-T86 WeakPolarHBondContact O-CG2 3.49Å; F79-T86 PolarHBondContact O-OG1 2.61Å; F79-T86 VanDerWaalsContact O-OG1 3.04Å; F79-A102 HydrophobicContact CB-CB 4.2Å; F79-A102 HydrophobicContact CD1-CB 4.13Å; F79-V104 HydrophobicContact CD1-CG2 3.6Å; F79-V104 HydrophobicContact CE1-CG2 3.6Å; F79-V105 HydrophobicContact CB-CG2 4.04Å; F79-K118 PolarHBondContact O-NZ 3.24Å; F79-L188 HydrophobicContact CD2-CB 4.38Å; F79-L188 HydrophobicContact CE2-CB 4.02Å; F79-G189 WeakPolarHBondContact CE2-O 3.33Å; F79-G189 VanDerWaalsContact CZ-O 3.23Å; F79-G189 WeakPolarHBondContact CZ-O 3.45Å; F79-L220 HydrophobicContact CD1-CB 4Å; F79-L220 HydrophobicContact CD1-CD1 4.08Å; F79-L220 HydrophobicContact CE1-CB 3.83Å; F79-L220 HydrophobicContact CE1-CD1 3.77Å; F79-L220 HydrophobicContact CE1-CD2 4.24Å; F79-L220 HydrophobicContact CE1-CG 4.15Å; F79-L220 HydrophobicContact CE2-CD1 4.3Å; F79-L220 HydrophobicContact CG-CD1 4.49Å; F79-L220 HydrophobicContact CZ-CD1 3.88Å; F79-L220 HydrophobicContact CZ-CD2 4.47Å; F79-P230 HydrophobicContact CE1-CB 4.06Å; F79-P230 HydrophobicContact CE1-CG 4.2Å; F79-P230 HydrophobicContact CZ-CB 3.99Å
80S98.8Very high98.6Very high1 Ų19.9 Ų9.91%0.0077%0.069CC..  trans-65.8130.5174.8-58.50000110A102 G219S80-A102 PolarHBondContact O-N 3.45Å; S80-G219 WeakPolarHBondContact CB-O 3.27Å; S80-G219 PolarHBondContact N-O 3.17Å; S80-G219 PolarHBondContact OG-O 3.08Å
81T98.6Very high98.6Very high1 Ų113.2 Ų13.21%0.0069%0.088CC..BIsolated β-bridgetrans-131113.4179.244.90000108.7F79 G83 I84 T86 V105 L115 K118F79-T81 PolarHBondContact O-N 3.34Å; T81-G83 PolarHBondContact O-N 2.98Å; T81-I84 PolarHBondContact O-N 3.04Å; T81-I84 VanDerWaalsContact O-N 3.12Å; T81-I84 PolarHBondContact OG1-O 3.03Å; T81-I84 VanDerWaalsContact OG1-O 3.04Å; T81-T86 PolarHBondContact OG1-OG1 2.95Å; T81-V105 HydrophobicContact CG2-CG1 4.12Å; T81-V105 HydrophobicContact CG2-CG2 4.27Å; T81-L115 HydrophobicContact CG2-CD2 4.39Å; T81-K118 HydrophobicContact CG2-CD 3.74Å; T81-K118 WeakPolarHBondContact OG1-CE 3.19Å; T81-K118 PolarHBondContact OG1-NZ 3.06Å
82S98.2Very high98.6Very high61 Ų6113.3 Ų13.343%0.4279%0.088SC..THydrogen-bonded Turntrans-58.7124.6-177.7-172.80000110.7I84 P98 Y100 N101S82-I84 PolarHBondContact O-N 3.25Å; S82-P98 WeakPolarHBondContact CA-O 3.47Å; S82-Y100 PolarHBondContact N-O 3.14Å; S82-N101 WeakPolarHBondContact CB-OD1 3.38Å; S82-N101 PolarHBondContact N-OD1 2.88Å
83G96.4Very high98.6Very high58 Ų5813.3 Ų13.360%0.5989%0.088SC*.THydrogen-bonded Turntrans75.62.8178.600000115.5T81 P98T81-G83 PolarHBondContact O-N 2.98Å; G83-P98 PolarHBondContact N-O 3.41Å
84I98.1Very high98.5Very high19 Ų1919 Ų1910%0.09711%0.112CC..BIsolated β-bridgetrans-123.9132.3173.9-59.5170.4000108.1T42 V47 T81 S82 T86 P98 L115 K118T42-I84 HydrophobicContact CG2-CG2 4.17Å; V47-I84 HydrophobicContact CG2-CD1 4.36Å; T81-I84 PolarHBondContact O-N 3.04Å; T81-I84 VanDerWaalsContact O-N 3.12Å; T81-I84 PolarHBondContact OG1-O 3.03Å; T81-I84 VanDerWaalsContact OG1-O 3.04Å; S82-I84 PolarHBondContact O-N 3.25Å; I84-T86 PolarHBondContact O-N 3.05Å; I84-P98 WeakPolarHBondContact O-CD 3.4Å; I84-L115 HydrophobicContact CD1-CD2 3.54Å; I84-K118 HydrophobicContact CG2-CD 3.95Å; I84-K118 HydrophobicContact CG2-CG 3.65Å
85E98.3Very high98.3Very high57 Ų5721.6 Ų21.627%0.26614%0.139SC..  trans-51.4136.9179.7-163.7-177.6178.400112.2T87 G95 Y96 K118E85-T87 HydrophobicContact CG-CG2 3.7Å; E85-T87 WeakPolarHBondContact OE1-CG2 3.26Å; E85-G95 WeakPolarHBondContact OE1-CA 3.31Å; E85-G95 PolarHBondContact OE1-N 3.25Å; E85-Y96 WeakPolarHBondContact CA-O 3.48Å; E85-K118 PolarHBondContact O-NZ 3.39Å
86T98.8Very high98.3Very high0 Ų023.2 Ų23.20%015%0.145CC..  trans-126.6109.7173.9-67.20000108.6D77 F79 T81 I84 Y96 P98 K118 I221D77-T86 VanDerWaalsContact O-CG2 3.25Å; D77-T86 WeakPolarHBondContact O-CG2 3.47Å; D77-T86 WeakPolarHBondContact OD1-CA 3.41Å; F79-T86 WeakPolarHBondContact O-CG2 3.49Å; F79-T86 PolarHBondContact O-OG1 2.61Å; F79-T86 VanDerWaalsContact O-OG1 3.04Å; T81-T86 PolarHBondContact OG1-OG1 2.95Å; I84-T86 PolarHBondContact O-N 3.05Å; T86-Y96 PolarHBondContact N-O 2.9Å; T86-Y96 WeakPolarHBondContact O-CD1 3.45Å; T86-P98 WeakPolarHBondContact OG1-CG 3.47Å; T86-K118 PolarHBondContact OG1-NZ 2.86Å; T86-I221 HydrophobicContact CG2-CD1 3.56Å
87T98.8Very high98.2Very high0 Ų028.1 Ų28.10%017%0.171CC..  trans-109-16.2-169.374.30000114.2D77 E85 A89 S90 L93 F135D77-T87 WeakPolarHBondContact OD2-CA 3.44Å; D77-T87 VanDerWaalsContact OD2-CB 3.32Å; D77-T87 WeakPolarHBondContact OD2-CB 3.35Å; D77-T87 PolarHBondContact OD2-N 2.95Å; D77-T87 PolarHBondContact OD2-OG1 2.56Å; E85-T87 HydrophobicContact CG-CG2 3.7Å; E85-T87 WeakPolarHBondContact OE1-CG2 3.26Å; T87-A89 PolarHBondContact O-N 2.9Å; T87-A89 VanDerWaalsContact O-N 3.12Å; T87-A89 PolarHBondContact OG1-N 2.94Å; T87-S90 WeakPolarHBondContact O-CB 3.34Å; T87-S90 PolarHBondContact O-N 2.6Å; T87-L93 WeakPolarHBondContact O-CB 3.47Å; T87-F135 HydrophobicContact CG2-CE2 4.2Å; T87-F135 HydrophobicContact CG2-CZ 3.98Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.42Å
88C98.7Very high98.2Very high0 Ų028.2 Ų28.20%017%0.171CC..THydrogen-bonded Turntrans51.529.2-167.9-63.50000113.7D77 S90 L93 E123 F124 I221D77-C88 WeakPolarHBondContact O-CA 3.3Å; D77-C88 PolarHBondContact O-N 2.94Å; D77-C88 PolarHBondContact OD2-N 2.8Å; C88-S90 PolarHBondContact O-N 2.83Å; C88-L93 HydrophobicContact CB-CD1 4.31Å; C88-E123 WeakPolarHBondContact O-CA 3.49Å; C88-F124 HydrophobicContact CB-CD1 3.67Å; C88-F124 HydrophobicContact CB-CD2 4.49Å; C88-F124 HydrophobicContact CB-CE1 3.76Å; C88-F124 HydrophobicContact CB-CG 4.06Å; C88-F124 HydrophobicContact CB-CZ 4.2Å; C88-F124 PolarHBondContact O-N 3.47Å; C88-I221 WeakPolarHBondContact SG-CD1 3.44Å
89A98.6Very high98.1Very high0 Ų033 Ų330%020%0.202CC..THydrogen-bonded Turntrans53.530.8-171.100000114.6I41 T87 L121 I134 F135I41-A89 HydrophobicContact CD1-CB 3.94Å; T87-A89 PolarHBondContact O-N 2.9Å; T87-A89 VanDerWaalsContact O-N 3.12Å; T87-A89 PolarHBondContact OG1-N 2.94Å; A89-L121 HydrophobicContact CB-CD2 3.71Å; A89-L121 HydrophobicContact CB-CG 3.9Å; A89-L121 VanDerWaalsContact CB-O 3.24Å; A89-L121 WeakPolarHBondContact CB-O 3.14Å; A89-I134 WeakPolarHBondContact O-CG1 3.17Å; A89-I134 PolarHBondContact O-N 3.23Å; A89-F135 HydrophobicContact CB-CD2 4.2Å
90S98.7Very high98.1Very high0 Ų037.3 Ų37.30%022%0.219CC..SBendtrans-121.1147.3-175.3-174.90000112.5T87 C88 M92 L93 K94 E123 F124 G368T87-S90 WeakPolarHBondContact O-CB 3.34Å; T87-S90 PolarHBondContact O-N 2.6Å; C88-S90 PolarHBondContact O-N 2.83Å; S90-M92 PolarHBondContact O-N 2.7Å; S90-M92 VanDerWaalsContact OG-CB 3.27Å; S90-M92 WeakPolarHBondContact OG-CB 3.42Å; S90-M92 PolarHBondContact OG-N 3.17Å; S90-L93 PolarHBondContact O-N 3.41Å; S90-K94 PolarHBondContact O-N 3.17Å; S90-E123 VanDerWaalsContact CB-CG 3.5Å; S90-E123 VanDerWaalsContact CB-OE1 3.25Å; S90-E123 WeakPolarHBondContact CB-OE1 3.29Å; S90-E123 PolarHBondContact OG-OE1 2.92Å; S90-F124 VanDerWaalsContact OG-CE2 3.31Å; S90-F124 WeakPolarHBondContact OG-CE2 3.28Å; S90-G368 PolarHBondContact OG-O 3.39Å; S90-G368 VanDerWaalsContact OG-O 3.09Å
91N98.3Very high98.1Very high71 Ų7138.7 Ų38.738%0.3823%0.227SC..G310 helixtrans-64.4-28.9168.1-81.3-39.5000110.6L93 K94 I134 G368N91-L93 PolarHBondContact O-N 3.48Å; N91-K94 PolarHBondContact O-N 3.05Å; N91-I134 HydrophobicContact CB-CD1 4.4Å; N91-I134 WeakPolarHBondContact OD1-CD1 3.33Å; N91-G368 WeakPolarHBondContact CB-O 3.44Å; N91-G368 PolarHBondContact N-O 3.23Å
92M98.6Very high98.1Very high1 Ų138.7 Ų38.71%0.00523%0.226CC..G310 helixtrans-57.6-31.8-179.9-176.454.175.300113.4S90 F124 F342 G348 H349 T364 R365 G368 F369S90-M92 PolarHBondContact O-N 2.7Å; S90-M92 VanDerWaalsContact OG-CB 3.27Å; S90-M92 WeakPolarHBondContact OG-CB 3.42Å; S90-M92 PolarHBondContact OG-N 3.17Å; M92-F124 HydrophobicContact CB-CE2 4.11Å; M92-F124 HydrophobicContact CB-CZ 4.25Å; M92-F124 HydrophobicContact CG-CZ 4.36Å; M92-F342 HydrophobicContact CE-CB 4.29Å; M92-F342 HydrophobicContact CG-CB 3.71Å; M92-F342 HydrophobicContact CG-CD1 4.21Å; M92-F342 HydrophobicContact CG-CG 4.05Å; M92-F342 HydrophobicContact SD-CB 3.87Å; M92-G348 CarbonylContact O-C 3.56Å; M92-G348 WeakPolarHBondContact O-CA 3.45Å; M92-H349 PolarHBondContact O-N 3.19Å; M92-H349 HydrophobicContact SD-CB 4.2Å; M92-T364 HydrophobicContact CE-CG2 4.27Å; M92-T364 HydrophobicContact SD-CG2 4.43Å; M92-R365 HydrophobicContact CE-CB 4.5Å; M92-R365 HydrophobicContact CE-CG 4.25Å; M92-G368 PolarHBondContact N-O 2.92Å; M92-F369 HydrophobicContact CB-CD1 3.95Å; M92-F369 HydrophobicContact CB-CE1 3.8Å; M92-F369 HydrophobicContact CE-CD1 4.32Å; M92-F369 HydrophobicContact CE-CD2 3.88Å; M92-F369 HydrophobicContact CE-CE1 4.1Å; M92-F369 HydrophobicContact CE-CE2 3.63Å; M92-F369 HydrophobicContact CE-CG 4.23Å; M92-F369 HydrophobicContact CE-CZ 3.78Å; M92-F369 HydrophobicContact CG-CD1 4.25Å; M92-F369 HydrophobicContact CG-CE1 3.65Å; M92-F369 HydrophobicContact CG-CZ 3.93Å
93L98.6Very high98.1Very high0 Ų036.5 Ų36.50%021%0.21CC..G310 helixtrans-118.913.6-178.3-67176.9000113.1T87 C88 S90 N91 G95 Y96 F124 I221 F342 Y347T87-L93 WeakPolarHBondContact O-CB 3.47Å; C88-L93 HydrophobicContact CB-CD1 4.31Å; S90-L93 PolarHBondContact O-N 3.41Å; N91-L93 PolarHBondContact O-N 3.48Å; L93-G95 PolarHBondContact O-N 3.04Å; L93-Y96 HydrophobicContact CD2-CD1 4.07Å; L93-Y96 HydrophobicContact CD2-CG 4.11Å; L93-Y96 VanDerWaalsContact O-CB 3.26Å; L93-Y96 WeakPolarHBondContact O-CB 3.28Å; L93-Y96 PolarHBondContact O-N 3.24Å; L93-F124 HydrophobicContact CD1-CE1 3.67Å; L93-F124 HydrophobicContact CD1-CZ 3.68Å; L93-F124 HydrophobicContact CG-CE1 4.47Å; L93-F124 HydrophobicContact CG-CZ 3.99Å; L93-I221 HydrophobicContact CD1-CD1 3.95Å; L93-F342 HydrophobicContact CD1-CE1 3.87Å; L93-F342 HydrophobicContact CD1-CZ 4.32Å; L93-F342 HydrophobicContact CD2-CD1 3.95Å; L93-F342 HydrophobicContact CD2-CE1 3.79Å; L93-F342 HydrophobicContact CG-CD1 4.41Å; L93-F342 HydrophobicContact CG-CE1 4.13Å; L93-Y347 HydrophobicContact CD2-CD2 3.9Å; L93-Y347 HydrophobicContact CD2-CE2 3.99Å
94K96.9Very high98.2Very high125 Ų12533.8 Ų33.854%0.54318%0.182SC..THydrogen-bonded Turntrans-61.7128.1169.6-169.6177.2-179179.60109.3S90 N91 Y96S90-K94 PolarHBondContact O-N 3.17Å; N91-K94 PolarHBondContact O-N 3.05Å; K94-Y96 VanDerWaalsContact C-N 3.34Å
95G95.8Very high98.2Very high55 Ų5533 Ų3357%0.56718%0.179SC*.THydrogen-bonded Turntrans83.6-2.6-173.600000115.1E85 L93 I97E85-G95 WeakPolarHBondContact OE1-CA 3.31Å; E85-G95 PolarHBondContact OE1-N 3.25Å; L93-G95 PolarHBondContact O-N 3.04Å; G95-I97 PolarHBondContact O-N 3.26Å
96Y98Very high98.3Very high35 Ų3533.9 Ų33.914%0.13718%0.182CC..  trans-75.8116.8178.6175.6-120.4000111.1E85 T86 L93 K94 P98 Y347E85-Y96 WeakPolarHBondContact CA-O 3.48Å; T86-Y96 PolarHBondContact N-O 2.9Å; T86-Y96 WeakPolarHBondContact O-CD1 3.45Å; L93-Y96 HydrophobicContact CD2-CD1 4.07Å; L93-Y96 HydrophobicContact CD2-CG 4.11Å; L93-Y96 VanDerWaalsContact O-CB 3.26Å; L93-Y96 WeakPolarHBondContact O-CB 3.28Å; L93-Y96 PolarHBondContact O-N 3.24Å; K94-Y96 VanDerWaalsContact C-N 3.34Å; Y96-P98 HydrophobicContact CD1-CG 4.14Å; Y96-P98 HydrophobicContact CE1-CB 4.15Å; Y96-P98 HydrophobicContact CE1-CG 3.65Å; Y96-Y347 HydrophobicContact CD2-CD2 4.16Å; Y96-Y347 HydrophobicContact CD2-CG 4.26Å; Y96-Y347 HydrophobicContact CE2-CD2 4.17Å; Y96-Y347 HydrophobicContact CE2-CG 4.09Å
97I98.3Very high98.2Very high103 Ų10336 Ų3653%0.52819%0.192SC..  trans-107.4106.9173.6-58.5174.8000107.9G95G95-I97 PolarHBondContact O-N 3.26Å
98P97.6Very high98.2Very high2 Ų236.3 Ų36.31%0.01319%0.193CC..  trans-60.6142.5179.7-20.830.7000112.1S82 G83 I84 T86 Y96 Y100S82-P98 WeakPolarHBondContact CA-O 3.47Å; G83-P98 PolarHBondContact N-O 3.41Å; I84-P98 WeakPolarHBondContact O-CD 3.4Å; T86-P98 WeakPolarHBondContact OG1-CG 3.47Å; Y96-P98 HydrophobicContact CD1-CG 4.14Å; Y96-P98 HydrophobicContact CE1-CB 4.15Å; Y96-P98 HydrophobicContact CE1-CG 3.65Å; P98-Y100 PolarHBondContact O-N 3.01Å
99P96.9Very high98.2Very high103 Ų10338.3 Ų38.367%0.66920%0.204SC*.SBendtrans-83.64.7175.930.6-29.5000113.5
100Y98.3Very high98.2Very high92 Ų9242.6 Ų42.636%0.36123%0.227SC..SBendtrans-150.8157.8-178.564.2-89.4000112S82 P98 H218S82-Y100 PolarHBondContact N-O 3.14Å; P98-Y100 PolarHBondContact O-N 3.01Å; Y100-H218 AromaticContact CD2-CE1 3.77Å; Y100-H218 AromaticContact CE2-CE1 3.86Å
101N98.8Very high98.2Very high30 Ų3045.9 Ų45.916%0.1624%0.242CC..  trans-83.6139.6169-71.8-36.5000110.8S82 V105 Q106S82-N101 WeakPolarHBondContact CB-OD1 3.38Å; S82-N101 PolarHBondContact N-OD1 2.88Å; N101-V105 HydrophobicContact CB-CB 4.45Å; N101-V105 HydrophobicContact CB-CG1 4.4Å; N101-Q106 HydrophobicContact CB-CB 4.09Å; N101-Q106 PolarHBondContact ND2-OE1 3.37Å
102A98.9Very high98.2Very high0 Ų042.7 Ų42.70%023%0.226CC..  trans-55.1146.2160.100000109.7F79 S80 V104 V105 Q106 H218F79-A102 HydrophobicContact CB-CB 4.2Å; F79-A102 HydrophobicContact CD1-CB 4.13Å; S80-A102 PolarHBondContact O-N 3.45Å; A102-V104 VanDerWaalsContact C-N 3.26Å; A102-V104 HydrophobicContact CB-CG2 4.29Å; A102-V104 PolarHBondContact O-N 3.46Å; A102-V105 HydrophobicContact CB-CB 4.42Å; A102-V105 HydrophobicContact CB-CG2 4.05Å; A102-V105 WeakPolarHBondContact O-CB 3.43Å; A102-V105 PolarHBondContact O-N 3.24Å; A102-Q106 PolarHBondContact O-N 3Å; A102-H218 CarbonylContact C-O 3.48Å; A102-H218 VanDerWaalsContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CB-O 3.42Å
103T98.9Very high98.2Very high15 Ų1542.8 Ų42.89%0.09223%0.227CC..Hα-helixtrans-59.4-40.8-173.7-64.30000111.5V105 Q106 K107 H218 D251T103-V105 VanDerWaalsContact C-N 3.31Å; T103-V105 PolarHBondContact O-N 3.48Å; T103-Q106 PolarHBondContact O-N 2.86Å; T103-K107 HydrophobicContact CG2-CD 4.37Å; T103-K107 HydrophobicContact CG2-CG 4.41Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 3.42Å; T103-H218 PolarHBondContact N-O 2.93Å; T103-H218 PolarHBondContact OG1-ND1 3.16Å; T103-D251 WeakPolarHBondContact CB-OD2 2.8Å; T103-D251 HydrophobicContact CG2-CB 4.21Å; T103-D251 VanDerWaalsContact CG2-OD2 3.27Å; T103-D251 WeakPolarHBondContact CG2-OD2 3.49Å; T103-D251 PolarHBondContact OG1-OD2 3.4Å
104V98.6Very high98.2Very high2 Ų242.8 Ų42.81%0.01223%0.227CC..Hα-helixtrans-63.2-35.7176.4-660000113.1F79 A102 L108 L188 V215 S216 P230 L247F79-V104 HydrophobicContact CD1-CG2 3.6Å; F79-V104 HydrophobicContact CE1-CG2 3.6Å; A102-V104 VanDerWaalsContact C-N 3.26Å; A102-V104 HydrophobicContact CB-CG2 4.29Å; A102-V104 PolarHBondContact O-N 3.46Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3Å; V104-L188 HydrophobicContact CB-CD1 4.03Å; V104-L188 HydrophobicContact CG2-CD1 3.69Å; V104-V215 HydrophobicContact CG1-CG1 3.3Å; V104-S216 WeakPolarHBondContact CG1-O 3.32Å; V104-P230 HydrophobicContact CG1-CB 4.21Å; V104-P230 HydrophobicContact CG1-CG 4.22Å; V104-L247 HydrophobicContact CB-CD2 3.88Å; V104-L247 HydrophobicContact CG1-CD2 4.27Å; V104-L247 VanDerWaalsContact O-CD2 3.3Å; V104-L247 WeakPolarHBondContact O-CD2 3.43Å
105V98.8Very high98.3Very high3 Ų337.1 Ų37.12%0.01820%0.203CC..Hα-helixtrans-68.4-47.3175.2175.20000109.5V75 F79 T81 N101 A102 T103 K107 L108 L109 L188V75-V105 HydrophobicContact CG1-CG2 3.77Å; V75-V105 HydrophobicContact CG2-CG2 4.26Å; F79-V105 HydrophobicContact CB-CG2 4.04Å; T81-V105 HydrophobicContact CG2-CG1 4.12Å; T81-V105 HydrophobicContact CG2-CG2 4.27Å; N101-V105 HydrophobicContact CB-CB 4.45Å; N101-V105 HydrophobicContact CB-CG1 4.4Å; A102-V105 HydrophobicContact CB-CB 4.42Å; A102-V105 HydrophobicContact CB-CG2 4.05Å; A102-V105 WeakPolarHBondContact O-CB 3.43Å; A102-V105 PolarHBondContact O-N 3.24Å; T103-V105 VanDerWaalsContact C-N 3.31Å; T103-V105 PolarHBondContact O-N 3.48Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.24Å; V105-L108 PolarHBondContact O-N 3.15Å; V105-L108 VanDerWaalsContact O-N 3.15Å; V105-L109 HydrophobicContact CG1-CD1 4.09Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.09Å; V105-L188 HydrophobicContact CG2-CD1 4.39Å
106Q98.8Very high98.4Very high74 Ų7434.5 Ų34.535%0.34618%0.176SC..Hα-helixtrans-58.8-45.2178.9-170.561.553.800111.3N101 A102 T103 L108 L109 D110N101-Q106 HydrophobicContact CB-CB 4.09Å; N101-Q106 PolarHBondContact ND2-OE1 3.37Å; A102-Q106 PolarHBondContact O-N 3Å; T103-Q106 PolarHBondContact O-N 2.86Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.32Å; Q106-L109 PolarHBondContact O-N 3.46Å; Q106-L109 VanDerWaalsContact O-N 3.12Å; Q106-D110 PolarHBondContact NE2-OD1 2.94Å; Q106-D110 WeakPolarHBondContact O-CB 3.27Å; Q106-D110 PolarHBondContact O-N 3.27Å
107K98.3Very high98.4Very high46 Ų4632.8 Ų32.820%0.217%0.169CC..Hα-helixtrans-57.8-39.7176.5-74.8-175.3175.1-168.60112.5T103 V105 Q111 A246 L247 A248T103-K107 HydrophobicContact CG2-CD 4.37Å; T103-K107 HydrophobicContact CG2-CG 4.41Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 3.42Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.24Å; K107-Q111 VanDerWaalsContact O-CG 3.31Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.3Å; K107-A246 WeakPolarHBondContact CD-O 3.18Å; K107-L247 HydrophobicContact CB-CD2 4.28Å; K107-L247 WeakPolarHBondContact CD-O 3.15Å; K107-L247 PolarHBondContact NZ-O 2.81Å; K107-A248 PolarHBondContact NZ-O 2.93Å
108L98.6Very high98.5Very high5 Ų527.9 Ų27.93%0.02614%0.144CC..Hα-helixtrans-66.2-43.8174.8-69.6173.4000112.2L68 V73 V104 V105 Q106 D110 Q111 G112 A113 L188 V243 L247L68-L108 HydrophobicContact CD1-CD2 3.9Å; V73-L108 HydrophobicContact CG2-CD1 4.36Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3Å; V105-L108 PolarHBondContact O-N 3.15Å; V105-L108 VanDerWaalsContact O-N 3.15Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.32Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.41Å; L108-Q111 PolarHBondContact O-N 2.73Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L108-G112 PolarHBondContact O-N 3.23Å; L108-A113 HydrophobicContact CB-CB 4.15Å; L108-A113 VanDerWaalsContact O-CB 3.24Å; L108-A113 WeakPolarHBondContact O-CB 3.1Å; L108-A113 PolarHBondContact O-N 3.4Å; L108-A113 VanDerWaalsContact O-N 3.12Å; L108-L188 HydrophobicContact CD1-CD1 3.75Å; L108-L188 HydrophobicContact CD1-CD2 4.11Å; L108-L188 HydrophobicContact CD1-CG 3.88Å; L108-V243 HydrophobicContact CD2-CG1 4.46Å; L108-L247 HydrophobicContact CD1-CD2 4.48Å; L108-L247 HydrophobicContact CD2-CD2 4.05Å; L108-L247 HydrophobicContact CG-CD2 3.86Å
109L98.6Very high98.5Very high42 Ų4227.8 Ų27.822%0.2214%0.143CC..Hα-helixtrans-63.6-39.5178.2-65178.7000111.9Q51 V105 Q106 Q111 G112 L115Q51-L109 VanDerWaalsContact NE2-CD2 3.28Å; V105-L109 HydrophobicContact CG1-CD1 4.09Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.09Å; Q106-L109 PolarHBondContact O-N 3.46Å; Q106-L109 VanDerWaalsContact O-N 3.12Å; L109-Q111 PolarHBondContact O-N 3.28Å; L109-G112 WeakPolarHBondContact O-CA 3.26Å; L109-G112 PolarHBondContact O-N 2.76Å; L109-L115 HydrophobicContact CD2-CB 4.38Å
110D98.2Very high98.6Very high90 Ų9023 Ų2348%0.48111%0.112SC..Hα-helixtrans-64.8-23176.7-65.4-17.4000112.2Q106 L108 G112Q106-D110 PolarHBondContact NE2-OD1 2.94Å; Q106-D110 WeakPolarHBondContact O-CB 3.27Å; Q106-D110 PolarHBondContact O-N 3.27Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.41Å; D110-G112 VanDerWaalsContact C-N 3.31Å
111Q97.8Very high98.7Very high69 Ų6918.6 Ų18.632%0.3229%0.094SC..THydrogen-bonded Turntrans-88.34.8172-62.2-63.4-70.100113.2L68 D69 K107 L108 L109 A246L68-Q111 CarbonylContact C-O 3.58Å; L68-Q111 HydrophobicContact CB-CB 3.93Å; L68-Q111 HydrophobicContact CD1-CB 4.11Å; L68-Q111 HydrophobicContact CD1-CG 4.39Å; D69-Q111 VanDerWaalsContact CA-O 3.29Å; D69-Q111 WeakPolarHBondContact CA-O 3.47Å; D69-Q111 PolarHBondContact N-O 3.33Å; D69-Q111 VanDerWaalsContact N-O 3.16Å; K107-Q111 VanDerWaalsContact O-CG 3.31Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-N 3.3Å; L108-Q111 PolarHBondContact O-N 2.73Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L109-Q111 PolarHBondContact O-N 3.28Å; Q111-A246 HydrophobicContact CG-CB 4.06Å
112G98.4Very high98.6Very high5 Ų517.1 Ų17.15%0.0529%0.087CC..THydrogen-bonded Turntrans78.215.9179.100000114.8G70 L108 L109 D110G70-G112 PolarHBondContact N-O 3.33Å; L108-G112 PolarHBondContact O-N 3.23Å; L109-G112 WeakPolarHBondContact O-CA 3.26Å; L109-G112 PolarHBondContact O-N 2.76Å; D110-G112 VanDerWaalsContact C-N 3.31Å
113A98.7Very high98.6Very high2 Ų217.2 Ų17.22%0.0179%0.087CC..  trans-65.6147.1176.700000111.7L68 V73 L108L68-A113 HydrophobicContact CB-CB 4.47Å; L68-A113 WeakPolarHBondContact O-CA 3.35Å; L68-A113 PolarHBondContact O-N 3.34Å; V73-A113 HydrophobicContact CG1-CB 4.13Å; V73-A113 HydrophobicContact CG2-CB 3.79Å; L108-A113 HydrophobicContact CB-CB 4.15Å; L108-A113 VanDerWaalsContact O-CB 3.24Å; L108-A113 WeakPolarHBondContact O-CB 3.1Å; L108-A113 PolarHBondContact O-N 3.4Å; L108-A113 VanDerWaalsContact O-N 3.12Å
114L98.8Very high98.6Very high0 Ų016.7 Ų16.70%08%0.084CC..EExtended strand (participates in β ladder)trans-95.7114.2-178.3-46.8-178.3000109.7C24 Q51 A52 G70 I71 P72 V73 M116C24-L114 HydrophobicContact CB-CD1 3.88Å; Q51-L114 HydrophobicContact CB-CD2 3.53Å; A52-L114 HydrophobicContact CB-CD1 3.78Å; A52-L114 HydrophobicContact CB-CD2 4.21Å; G70-L114 VanDerWaalsContact O-CD1 3.29Å; G70-L114 WeakPolarHBondContact O-CD1 3.39Å; I71-L114 PolarHBondContact O-N 2.68Å; P72-L114 HydrophobicContact CG-CD1 4.43Å; V73-L114 PolarHBondContact N-O 3.22Å; L114-M116 PolarHBondContact O-N 2.94Å
115L98.8Very high98.6Very high6 Ų616.8 Ų16.83%0.0318%0.084CC..EExtended strand (participates in β ladder)trans-77.6106.7179.5179.759.8000110.1S44 A48 V75 T81 I84 L109S44-L115 PolarHBondContact OG-O 2.86Å; A48-L115 WeakPolarHBondContact CB-O 3.5Å; V75-L115 HydrophobicContact CB-CD1 4.02Å; V75-L115 HydrophobicContact CG2-CD1 3.57Å; T81-L115 HydrophobicContact CG2-CD2 4.39Å; I84-L115 HydrophobicContact CD1-CD2 3.54Å; L109-L115 HydrophobicContact CD2-CB 4.38Å
116M98.8Very high98.6Very high0 Ų016.7 Ų16.70%08%0.084CC..EExtended strand (participates in β ladder)trans-77.8-29.6-178.5-59.8-53.9-62.500113.2C27 L28 I31 Y40 S44 A48 P72 V73 L114 C184C27-M116 HydrophobicContact CB-CE 3.57Å; C27-M116 HydrophobicContact CB-SD 4.45Å; L28-M116 HydrophobicContact CB-CE 4.49Å; L28-M116 HydrophobicContact CD2-CE 3.67Å; L28-M116 HydrophobicContact CG-CE 3.62Å; I31-M116 HydrophobicContact CD1-CB 4.15Å; I31-M116 HydrophobicContact CD1-CE 3.81Å; Y40-M116 HydrophobicContact CE1-CB 4.34Å; S44-M116 PolarHBondContact N-O 3.26Å; S44-M116 PolarHBondContact OG-O 2.63Å; A48-M116 HydrophobicContact CB-SD 4.09Å; P72-M116 HydrophobicContact CB-CG 3.71Å; P72-M116 HydrophobicContact CB-SD 3.68Å; P72-M116 HydrophobicContact CG-SD 4.27Å; V73-M116 WeakPolarHBondContact O-CG 3.42Å; V73-M116 PolarHBondContact O-N 2.83Å; L114-M116 PolarHBondContact O-N 2.94Å; M116-C184 HydrophobicContact CG-CB 4.43Å
117G98.6Very high98.4Very high0 Ų013.4 Ų13.40%07%0.07CC..EExtended strand (participates in β ladder)trans159.1-174.9177.900000114.3T42 S44 V75T42-G117 CarbonylContact O-C 3.55Å; T42-G117 WeakPolarHBondContact O-CA 3.34Å; S44-G117 VanDerWaalsContact OG-CA 3.32Å; S44-G117 WeakPolarHBondContact OG-CA 3.35Å; S44-G117 PolarHBondContact OG-N 3.21Å; S44-G117 VanDerWaalsContact OG-N 3.14Å; V75-G117 PolarHBondContact N-O 2.98Å; V75-G117 VanDerWaalsContact N-O 3.09Å
118K98.9Very high98.3Very high0 Ų011.3 Ų11.30%06%0.061CC..EExtended strand (participates in β ladder)trans-98.6117.3179.2-49.4-59.7-63-59.10110Y40 I41 T42 V75 D77 F79 T81 I84 E85 T86Y40-K118 CarbonylContact C-O 3.56Å; Y40-K118 WeakPolarHBondContact CA-O 3.43Å; I41-K118 PolarHBondContact N-O 2.99Å; T42-K118 PolarHBondContact N-O 3.28Å; T42-K118 PolarHBondContact O-N 3.07Å; V75-K118 CarbonylContact O-C 3.55Å; V75-K118 WeakPolarHBondContact O-CA 3.37Å; D77-K118 HydrophobicContact CB-CB 3.94Å; D77-K118 VanDerWaalsContact OD1-CB 3.27Å; D77-K118 WeakPolarHBondContact OD1-CB 3.23Å; D77-K118 WeakPolarHBondContact OD1-CE 3.32Å; D77-K118 IonicContact OD1-NZ 2.74Å; D77-K118 PolarHBondContact OD1-NZ 3.47Å; F79-K118 PolarHBondContact O-NZ 3.24Å; T81-K118 HydrophobicContact CG2-CD 3.74Å; T81-K118 WeakPolarHBondContact OG1-CE 3.19Å; T81-K118 PolarHBondContact OG1-NZ 3.06Å; I84-K118 HydrophobicContact CG2-CD 3.95Å; I84-K118 HydrophobicContact CG2-CG 3.65Å; E85-K118 PolarHBondContact O-NZ 3.39Å; T86-K118 PolarHBondContact OG1-NZ 2.86Å
119T98.9Very high98.2Very high0 Ų011 Ų110%06%0.059CC..EExtended strand (participates in β ladder)trans-85.4147.3-174.760.90000112.3A39 Y40 A74 V75 K76 D77 S175 A178A39-T119 CarbonylContact O-C 3.46Å; A39-T119 VanDerWaalsContact O-CA 3.22Å; A39-T119 WeakPolarHBondContact O-CA 3.49Å; A39-T119 WeakPolarHBondContact O-CB 3.37Å; Y40-T119 HydrophobicContact CD1-CG2 4.05Å; Y40-T119 HydrophobicContact CE1-CG2 3.95Å; A74-T119 HydrophobicContact CB-CG2 3.59Å; V75-T119 PolarHBondContact O-N 3.1Å; K76-T119 WeakPolarHBondContact CA-OG1 3.12Å; K76-T119 PolarHBondContact N-OG1 3.4Å; D77-T119 VanDerWaalsContact CB-O 3.29Å; D77-T119 WeakPolarHBondContact CB-O 3.4Å; D77-T119 PolarHBondContact N-O 3.41Å; T119-S175 PolarHBondContact OG1-N 3.33Å; T119-S175 PolarHBondContact OG1-OG 3.04Å; T119-A178 HydrophobicContact CG2-CB 4.18Å
120N98.9Very high98.1Very high1 Ų19.1 Ų9.11%0.0055%0.049CC..PPolyproline II helixtrans-71.8158-178.6-163.17.1000112N38 A39 I41 G136 V138 G174N38-N120 PolarHBondContact ND2-ND2 3.18Å; N38-N120 VanDerWaalsContact ND2-ND2 3.17Å; N38-N120 WeakPolarHBondContact O-CB 3.3Å; N38-N120 PolarHBondContact O-ND2 3.35Å; A39-N120 PolarHBondContact O-N 3.36Å; I41-N120 HydrophobicContact CD1-CB 4.32Å; I41-N120 HydrophobicContact CG1-CB 3.85Å; N120-G136 PolarHBondContact ND2-O 2.9Å; N120-V138 HydrophobicContact CB-CG2 3.69Å; N120-G174 VanDerWaalsContact O-CA 3.22Å; N120-G174 WeakPolarHBondContact O-CA 3.27Å; N120-G174 PolarHBondContact O-N 2.88Å
121L98.8Very high98Very high0 Ų05.4 Ų5.40%03%0.03CC..  trans-159.1166.7-170.465.3164.3000111.3I41 K76 D77 N78 A89 S171I41-L121 HydrophobicContact CD1-CD2 3.85Å; K76-L121 HydrophobicContact CD-CB 4.43Å; K76-L121 HydrophobicContact CD-CD1 4.42Å; K76-L121 VanDerWaalsContact CE-CB 3.46Å; K76-L121 HydrophobicContact CG-CB 4.2Å; K76-L121 HydrophobicContact CG-CD1 4.16Å; D77-L121 HydrophobicContact CB-CD2 3.66Å; N78-L121 HydrophobicContact CB-CD1 3.94Å; A89-L121 HydrophobicContact CB-CD2 3.71Å; A89-L121 HydrophobicContact CB-CG 3.9Å; A89-L121 VanDerWaalsContact CB-O 3.24Å; A89-L121 WeakPolarHBondContact CB-O 3.14Å; L121-S171 VanDerWaalsContact CA-O 3.24Å; L121-S171 WeakPolarHBondContact CA-O 3.43Å; L121-S171 WeakPolarHBondContact CB-O 3.49Å
122D98.6Very high97.7Very high0 Ų03.9 Ų3.90%02%0.024CC..SBendtrans-64.4145.3159.7-66.1-66.1000110.4F124 A125 G127 S130 T131 D132 S171D122-F124 PolarHBondContact O-N 3.47Å; D122-A125 WeakPolarHBondContact O-CA 3.38Å; D122-A125 PolarHBondContact O-N 3.06Å; D122-G127 WeakPolarHBondContact OD2-CA 3.41Å; D122-S130 VanDerWaalsContact CG-N 3.32Å; D122-S130 WeakPolarHBondContact OD1-CA 3.41Å; D122-S130 PolarHBondContact OD1-N 3.14Å; D122-S130 VanDerWaalsContact OD2-CA 3.25Å; D122-S130 WeakPolarHBondContact OD2-CA 3.4Å; D122-S130 PolarHBondContact OD2-N 3.07Å; D122-T131 PolarHBondContact OD1-N 3.44Å; D122-D132 PolarHBondContact OD1-N 3.05Å; D122-D132 VanDerWaalsContact OD1-N 3.1Å; D122-S171 WeakPolarHBondContact OD2-CA 3.38Å
123E98.6Very high97.6Very high1 Ų14.1 Ų4.11%0.0053%0.026CC..G310 helixtrans-52.1124-177.1-164.9-175.315900111.6C88 S90 A125 M126 F369 N370 V373C88-E123 WeakPolarHBondContact O-CA 3.49Å; S90-E123 VanDerWaalsContact CB-CG 3.5Å; S90-E123 VanDerWaalsContact CB-OE1 3.25Å; S90-E123 WeakPolarHBondContact CB-OE1 3.29Å; S90-E123 PolarHBondContact OG-OE1 2.92Å; E123-A125 PolarHBondContact O-N 2.76Å; E123-A125 VanDerWaalsContact O-N 3.09Å; E123-M126 WeakPolarHBondContact O-CB 3.43Å; E123-M126 PolarHBondContact O-N 2.74Å; E123-F369 WeakPolarHBondContact OE1-CA 3.4Å; E123-N370 PolarHBondContact OE1-N 3.06Å; E123-N370 WeakPolarHBondContact OE2-CB 3.33Å; E123-N370 PolarHBondContact OE2-N 3.2Å; E123-N370 VanDerWaalsContact OE2-N 3.08Å; E123-N370 PolarHBondContact OE2-ND2 2.99Å; E123-N370 PolarHBondContact OE2-OD1 3.3Å; E123-V373 HydrophobicContact CB-CG2 4.26Å; E123-V373 HydrophobicContact CG-CG2 4.03Å
124F98.6Very high97.5Very high5 Ų56.8 Ų6.82%0.0224%0.04CC..G310 helixtrans49.632.9-175.2-73.7-77.5000114.5C88 S90 M92 L93 D122 M126 I221 M339 F342 F369 V373C88-F124 HydrophobicContact CB-CD1 3.67Å; C88-F124 HydrophobicContact CB-CD2 4.49Å; C88-F124 HydrophobicContact CB-CE1 3.76Å; C88-F124 HydrophobicContact CB-CG 4.06Å; C88-F124 HydrophobicContact CB-CZ 4.2Å; C88-F124 PolarHBondContact O-N 3.47Å; S90-F124 VanDerWaalsContact OG-CE2 3.31Å; S90-F124 WeakPolarHBondContact OG-CE2 3.28Å; M92-F124 HydrophobicContact CB-CE2 4.11Å; M92-F124 HydrophobicContact CB-CZ 4.25Å; M92-F124 HydrophobicContact CG-CZ 4.36Å; L93-F124 HydrophobicContact CD1-CE1 3.67Å; L93-F124 HydrophobicContact CD1-CZ 3.68Å; L93-F124 HydrophobicContact CG-CE1 4.47Å; L93-F124 HydrophobicContact CG-CZ 3.99Å; D122-F124 PolarHBondContact O-N 3.47Å; F124-M126 HydrophobicContact CB-CE 3.83Å; F124-M126 HydrophobicContact CB-CG 4.36Å; F124-M126 PolarHBondContact O-N 2.89Å; F124-I221 HydrophobicContact CD1-CG2 4.07Å; F124-I221 HydrophobicContact CE1-CG2 3.97Å; F124-M339 HydrophobicContact CB-CE 4.47Å; F124-M339 HydrophobicContact CD1-CE 4.03Å; F124-M339 HydrophobicContact CD1-SD 3.97Å; F124-M339 HydrophobicContact CD2-SD 4.46Å; F124-M339 HydrophobicContact CE1-SD 4.26Å; F124-M339 HydrophobicContact CG-CE 4.38Å; F124-M339 HydrophobicContact CG-SD 4.08Å; F124-F342 HydrophobicContact CD1-CE2 4.5Å; F124-F342 HydrophobicContact CE1-CD2 4.44Å; F124-F342 HydrophobicContact CE1-CE1 4.26Å; F124-F342 AromaticContact CE1-CE2 3.73Å; F124-F342 HydrophobicContact CE1-CE2 3.73Å; F124-F342 AromaticContact CE1-CZ 3.62Å; F124-F342 HydrophobicContact CE1-CZ 3.62Å; F124-F342 HydrophobicContact CZ-CD2 4.37Å; F124-F342 HydrophobicContact CZ-CE1 4.39Å; F124-F342 HydrophobicContact CZ-CE2 4.1Å; F124-F342 HydrophobicContact CZ-CZ 4.11Å; F124-F369 HydrophobicContact CD2-CD1 4.15Å; F124-F369 AromaticContact CD2-CE1 3.99Å; F124-F369 HydrophobicContact CD2-CE1 3.99Å; F124-F369 AromaticContact CE2-CD1 3.71Å; F124-F369 HydrophobicContact CE2-CD1 3.71Å; F124-F369 AromaticContact CE2-CE1 3.36Å; F124-F369 HydrophobicContact CE2-CE1 3.36Å; F124-F369 AromaticContact CZ-CE1 3.89Å; F124-F369 HydrophobicContact CZ-CE1 3.89Å; F124-V373 HydrophobicContact CB-CG2 4.5Å; F124-V373 HydrophobicContact CD2-CG2 4.24Å
125A98.4Very high97.4Very high3 Ų39.7 Ų9.73%0.0255%0.053CC..G310 helixtrans64.317.2-176.400000114.9D122 E123 G127 S171 L223D122-A125 WeakPolarHBondContact O-CA 3.38Å; D122-A125 PolarHBondContact O-N 3.06Å; E123-A125 PolarHBondContact O-N 2.76Å; E123-A125 VanDerWaalsContact O-N 3.09Å; A125-G127 PolarHBondContact O-N 3.45Å; A125-S171 VanDerWaalsContact CA-OG 3.27Å; A125-S171 WeakPolarHBondContact CA-OG 3.32Å; A125-S171 VanDerWaalsContact CB-OG 3.25Å; A125-S171 WeakPolarHBondContact CB-OG 3.15Å; A125-S171 WeakPolarHBondContact O-CB 3.18Å; A125-S171 PolarHBondContact O-OG 2.91Å; A125-S171 VanDerWaalsContact O-OG 3.12Å; A125-L223 HydrophobicContact CB-CD2 4.3Å
126M98Very high97.4Very high2 Ų210.6 Ų10.61%0.016%0.063CC..  trans-95.270.2-174.5-59.2-173.2-162.300113.1E123 F124 L223 V335 M339 V372 V373 R376 N438E123-M126 WeakPolarHBondContact O-CB 3.43Å; E123-M126 PolarHBondContact O-N 2.74Å; F124-M126 HydrophobicContact CB-CE 3.83Å; F124-M126 HydrophobicContact CB-CG 4.36Å; F124-M126 PolarHBondContact O-N 2.89Å; M126-L223 HydrophobicContact CE-CD1 3.56Å; M126-L223 HydrophobicContact CG-CD1 3.47Å; M126-L223 VanDerWaalsContact CG-CD1 3.47Å; M126-L223 HydrophobicContact SD-CD1 4.12Å; M126-V335 HydrophobicContact CE-CB 4.36Å; M126-V335 HydrophobicContact CE-CG1 3.61Å; M126-V335 HydrophobicContact CE-CG2 3.74Å; M126-V335 HydrophobicContact SD-CG1 4.33Å; M126-M339 HydrophobicContact CE-CE 3.99Å; M126-M339 HydrophobicContact CE-CG 4.22Å; M126-M339 HydrophobicContact CE-SD 4.13Å; M126-V372 HydrophobicContact CB-CG1 4.02Å; M126-V372 WeakPolarHBondContact O-CG1 3.39Å; M126-V373 HydrophobicContact CE-CG1 4.15Å; M126-V373 HydrophobicContact CE-CG2 4.38Å; M126-V373 HydrophobicContact SD-CB 4.11Å; M126-V373 HydrophobicContact SD-CG1 4.22Å; M126-V373 HydrophobicContact SD-CG2 3.75Å; M126-R376 HydrophobicContact SD-CB 4.38Å; M126-R376 HydrophobicContact SD-CG 4.46Å; M126-N438 PolarHBondContact O-ND2 2.89Å; M126-N438 VanDerWaalsContact O-ND2 3.11Å
127G95.9Very high97.3Very high5 Ų512.2 Ų12.25%0.0527%0.074CC..  trans177.6174.9174.300000112.8D122 A125 G170 S171 N438D122-G127 WeakPolarHBondContact OD2-CA 3.41Å; A125-G127 PolarHBondContact O-N 3.45Å; G127-G170 CarbonylContact O-C 3.09Å; G127-S171 PolarHBondContact O-N 2.95Å; G127-N438 WeakPolarHBondContact CA-ND2 3.37Å
128S95.6Very high97.3Very high1 Ų112.2 Ų12.21%0.0077%0.074CC..SBendtrans-122.65.8-174.871.90000113.9G169 G170 F433 D445S128-G169 CarbonylContact O-C 3.57Å; S128-G169 WeakPolarHBondContact O-CA 3.34Å; S128-G170 PolarHBondContact O-N 2.8Å; S128-F433 WeakPolarHBondContact OG-CZ 3.37Å; S128-D445 WeakPolarHBondContact CB-OD2 3.24Å; S128-D445 PolarHBondContact OG-OD2 2.92Å
129G95.9Very high97.2Very high0 Ų014.7 Ų14.70%08%0.084CC..SBendtrans-129.4-8.3-177.900000116.1T131 G169G129-T131 VanDerWaalsContact C-N 3.29Å; G129-G169 CarbonylContact C-O 3.57Å
130S97.6Very high97.2Very high1 Ų114.7 Ų14.71%0.0078%0.084CC..SBendtrans55.545.3-168.4-49.20000112D122 P137 V138 G169 G173D122-S130 VanDerWaalsContact CG-N 3.32Å; D122-S130 WeakPolarHBondContact OD1-CA 3.41Å; D122-S130 PolarHBondContact OD1-N 3.14Å; D122-S130 VanDerWaalsContact OD2-CA 3.25Å; D122-S130 WeakPolarHBondContact OD2-CA 3.4Å; D122-S130 PolarHBondContact OD2-N 3.07Å; S130-P137 WeakPolarHBondContact O-CA 3.38Å; S130-V138 PolarHBondContact O-N 3.35Å; S130-G169 PolarHBondContact N-O 3.43Å; S130-G169 PolarHBondContact OG-O 3.39Å; S130-G173 WeakPolarHBondContact OG-CA 3.48Å; S130-G173 PolarHBondContact OG-N 3.13Å
131T95.4Very high97Very high13 Ų1314.6 Ų14.68%0.088%0.084CC..  trans-115.8-20-176.358.70000113.5D122 G129 P137 I167 Y430 F433 R441D122-T131 PolarHBondContact OD1-N 3.44Å; G129-T131 VanDerWaalsContact C-N 3.29Å; T131-P137 HydrophobicContact CG2-CB 4.24Å; T131-I167 HydrophobicContact CG2-CG2 4.09Å; T131-Y430 HydrophobicContact CG2-CD2 3.76Å; T131-Y430 HydrophobicContact CG2-CE2 3.67Å; T131-F433 HydrophobicContact CG2-CD1 4.16Å; T131-F433 HydrophobicContact CG2-CE1 4.1Å; T131-R441 PolarHBondContact OG1-NH1 2.95Å
132D92.1Very high96.9Very high36 Ų3614.7 Ų14.719%0.1938%0.084CC..SBendtrans-99.48.6-164.1-59.4-22.9000113.3D122 N370 N438 R441D122-D132 PolarHBondContact OD1-N 3.05Å; D122-D132 VanDerWaalsContact OD1-N 3.1Å; D132-N370 PolarHBondContact O-ND2 3.36Å; D132-N438 PolarHBondContact OD2-ND2 2.87Å; D132-R441 IonicContact OD1-NH1 2.64Å; D132-R441 IonicContact OD1-NH2 3.12Å; D132-R441 IonicContact OD2-NH1 3Å; D132-R441 IonicContact OD2-NH2 3.55Å
133G95Very high96.6Very high10 Ų1015.1 Ų15.110%0.1039%0.087CC..SBendtrans-88154.4179.300000114.6F135 G136G133-F135 PolarHBondContact O-N 2.8Å; G133-G136 PolarHBondContact O-N 3.07Å
134I97.2Very high96.3Very high59 Ų5917 Ų1730%0.3039%0.094SC..THydrogen-bonded Turntrans-66.8-20.8-175.469.4159.1000114.2A89 N91 G136A89-I134 WeakPolarHBondContact O-CG1 3.17Å; A89-I134 PolarHBondContact O-N 3.23Å; N91-I134 HydrophobicContact CB-CD1 4.4Å; N91-I134 WeakPolarHBondContact OD1-CD1 3.33Å; I134-G136 PolarHBondContact O-N 3.47Å
135F97.7Very high95.9Very high61 Ų6116.7 Ų16.727%0.2689%0.093SC..THydrogen-bonded Turntrans-84.88.1-179.5-62.7-82.3000112.4N38 I41 T87 A89 G133N38-F135 PolarHBondContact ND2-O 2.77Å; I41-F135 HydrophobicContact CD1-CD2 3.62Å; I41-F135 HydrophobicContact CD1-CE2 4.04Å; I41-F135 HydrophobicContact CD1-CG 4.27Å; I41-F135 HydrophobicContact CG1-CB 4.14Å; I41-F135 HydrophobicContact CG1-CD2 3.8Å; I41-F135 HydrophobicContact CG1-CE2 4.4Å; I41-F135 HydrophobicContact CG1-CG 3.92Å; I41-F135 HydrophobicContact CG2-CD1 4.02Å; I41-F135 HydrophobicContact CG2-CD2 4Å; I41-F135 HydrophobicContact CG2-CE1 3.85Å; I41-F135 HydrophobicContact CG2-CE2 3.85Å; I41-F135 HydrophobicContact CG2-CG 4.09Å; I41-F135 HydrophobicContact CG2-CZ 3.77Å; T87-F135 HydrophobicContact CG2-CE2 4.2Å; T87-F135 HydrophobicContact CG2-CZ 3.98Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.42Å; A89-F135 HydrophobicContact CB-CD2 4.2Å; G133-F135 PolarHBondContact O-N 2.8Å
136G97.2Very high95.4Very high24 Ų2420 Ų2025%0.24711%0.107CC..  trans81.9169.9-177.900000112.9N38 N120 G133 I134N38-G136 PolarHBondContact ND2-O 3.21Å; N38-G136 VanDerWaalsContact ND2-O 3.13Å; N120-G136 PolarHBondContact ND2-O 2.9Å; G133-G136 PolarHBondContact O-N 3.07Å; I134-G136 PolarHBondContact O-N 3.47Å
137P97.3Very high94.9Very high34 Ų3421.4 Ų21.422%0.22111%0.114CC..PPolyproline II helixtrans-72.7155.9-172.830-36.3000112.7N38 S130 T131 W165 Y430N38-P137 WeakPolarHBondContact CB-O 3.48Å; N38-P137 PolarHBondContact ND2-O 3.29Å; S130-P137 WeakPolarHBondContact O-CA 3.38Å; T131-P137 HydrophobicContact CG2-CB 4.24Å; P137-W165 HydrophobicContact CB-CH2 3.55Å; P137-W165 HydrophobicContact CB-CZ2 4.14Å; P137-W165 HydrophobicContact CB-CZ3 4.47Å; P137-W165 HydrophobicContact CG-CH2 3.75Å; P137-W165 HydrophobicContact CG-CZ2 3.79Å; P137-Y430 HydrophobicContact CB-CE2 4.31Å
138V98.6Very high94.6Very high0 Ų021.7 Ų21.70%011%0.113CC..PPolyproline II helixtrans-92.9128.3170.6-1690000109.9L37 N120 S130 T168 A177L37-V138 WeakPolarHBondContact O-CG1 3.46Å; N120-V138 HydrophobicContact CB-CG2 3.69Å; S130-V138 PolarHBondContact O-N 3.35Å; V138-T168 HydrophobicContact CB-CG2 4.27Å; V138-T168 HydrophobicContact CG1-CG2 3.82Å; V138-A177 HydrophobicContact CG1-CB 3.74Å
139K97.6Very high94.2Very high52 Ų5225 Ų2523%0.22613%0.126CC..BIsolated β-bridgetrans-92.2136.9178.5-49.4-169.4-178.4-177.20111F36 L37 Y144 W165F36-K139 WeakPolarHBondContact O-CD 3.37Å; L37-K139 HydrophobicContact CD2-CB 4.27Å; L37-K139 PolarHBondContact O-N 2.79Å; K139-Y144 HydrophobicContact CB-CE2 4.23Å; K139-Y144 WeakPolarHBondContact CD-OH 3.35Å; K139-W165 HydrophobicContact CB-CD2 4.16Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CZ3 4.38Å; K139-W165 HydrophobicContact CD-CB 4.45Å; K139-W165 HydrophobicContact CD-CD2 3.87Å; K139-W165 HydrophobicContact CD-CE3 4.36Å; K139-W165 HydrophobicContact CD-CG 3.87Å; K139-W165 HydrophobicContact CG-CD2 3.71Å; K139-W165 HydrophobicContact CG-CE3 3.71Å; K139-W165 HydrophobicContact CG-CG 4.2Å; K139-W165 HydrophobicContact CG-CH2 4.46Å; K139-W165 HydrophobicContact CG-CZ2 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.1Å
140N97.6Very high93.7Very high0 Ų029.4 Ų29.40%015%0.146CC..PPolyproline II helixtrans-72.6127.1179.7-169.7-30.3000111.2W142 S143 L166 I167 T168 H202N140-W142 PolarHBondContact O-N 2.83Å; N140-W142 VanDerWaalsContact O-N 3.12Å; N140-W142 WeakPolarHBondContact OD1-CB 3.47Å; N140-W142 PolarHBondContact OD1-N 2.89Å; N140-S143 VanDerWaalsContact O-CB 3.24Å; N140-S143 WeakPolarHBondContact O-CB 3.4Å; N140-S143 PolarHBondContact O-N 3.03Å; N140-S143 PolarHBondContact O-OG 3.02Å; N140-L166 HydrophobicContact CB-CB 4Å; N140-L166 WeakPolarHBondContact CB-O 3.26Å; N140-L166 PolarHBondContact N-O 2.83Å; N140-I167 WeakPolarHBondContact CB-O 3.21Å; N140-I167 PolarHBondContact ND2-O 2.87Å; N140-T168 VanDerWaalsContact CA-CG2 3.46Å; N140-T168 HydrophobicContact CB-CG2 3.87Å; N140-H202 PolarHBondContact ND2-O 3.19Å
141P96.3Very high93Very high0 Ų034.3 Ų34.30%017%0.167CC..G310 helixtrans-52-33.6175.7-26.333.2000113.6L37 S143 Y144 A177 A181 I503 L505L37-P141 HydrophobicContact CD1-CB 4.42Å; L37-P141 HydrophobicContact CD1-CG 4.01Å; P141-S143 PolarHBondContact O-N 2.58Å; P141-Y144 PolarHBondContact O-N 2.83Å; P141-A177 HydrophobicContact CG-CB 4.19Å; P141-A181 HydrophobicContact CG-CB 4.22Å; P141-I503 HydrophobicContact CB-CD1 3.78Å; P141-L505 HydrophobicContact CB-CD2 4.19Å; P141-L505 WeakPolarHBondContact O-CD2 3.39Å
142W95.2Very high92.3Very high2 Ų235.7 Ų35.71%0.00817%0.171CC..G310 helixtrans-64.3-20.7179.4-74.288.5000114.1N140 Y144 S145 Y148 C203 L466 L471 P472 F500 I503N140-W142 PolarHBondContact O-N 2.83Å; N140-W142 VanDerWaalsContact O-N 3.12Å; N140-W142 WeakPolarHBondContact OD1-CB 3.47Å; N140-W142 PolarHBondContact OD1-N 2.89Å; W142-Y144 PolarHBondContact O-N 3.04Å; W142-Y144 VanDerWaalsContact O-N 3.15Å; W142-S145 WeakPolarHBondContact O-CB 3.48Å; W142-S145 PolarHBondContact O-N 3.34Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 3.06Å; W142-Y148 VanDerWaalsContact O-CB 3.28Å; W142-Y148 WeakPolarHBondContact O-CB 3.23Å; W142-C203 VanDerWaalsContact NE1-C 3.31Å; W142-C203 PolarHBondContact NE1-O 2.98Å; W142-L466 HydrophobicContact CE3-CD2 4.15Å; W142-L466 HydrophobicContact CH2-CD1 4.48Å; W142-L466 HydrophobicContact CH2-CD2 3.54Å; W142-L466 HydrophobicContact CZ2-CD2 4.39Å; W142-L466 HydrophobicContact CZ3-CD1 4.11Å; W142-L466 HydrophobicContact CZ3-CD2 3.38Å; W142-L466 HydrophobicContact CZ3-CG 4.41Å; W142-L471 HydrophobicContact CB-CD2 3.92Å; W142-P472 HydrophobicContact CD2-CG 3.45Å; W142-P472 VanDerWaalsContact CD2-CG 3.45Å; W142-P472 HydrophobicContact CE3-CG 4.1Å; W142-P472 HydrophobicContact CG-CG 3.67Å; W142-P472 HydrophobicContact CH2-CG 4.41Å; W142-P472 HydrophobicContact CZ2-CG 3.8Å; W142-P472 VanDerWaalsContact NE1-CG 3.34Å; W142-F500 HydrophobicContact CH2-CE1 4.16Å; W142-F500 AromaticContact CH2-CZ 3.84Å; W142-F500 HydrophobicContact CH2-CZ 3.84Å; W142-F500 AromaticContact CZ2-CE1 3.76Å; W142-F500 HydrophobicContact CZ2-CE1 3.76Å; W142-F500 AromaticContact CZ2-CZ 3.65Å; W142-F500 HydrophobicContact CZ2-CZ 3.65Å; W142-I503 HydrophobicContact CB-CD1 4.49Å; W142-I503 HydrophobicContact CD2-CB 4.43Å; W142-I503 HydrophobicContact CD2-CD1 3.79Å; W142-I503 HydrophobicContact CD2-CG1 3.9Å; W142-I503 HydrophobicContact CE3-CD1 4.42Å; W142-I503 HydrophobicContact CE3-CG1 4.11Å; W142-I503 HydrophobicContact CG-CD1 3.83Å; W142-I503 HydrophobicContact CG-CG1 4.46Å; W142-I503 HydrophobicContact CH2-CB 3.94Å; W142-I503 HydrophobicContact CH2-CG1 4.18Å; W142-I503 HydrophobicContact CZ2-CB 3.59Å; W142-I503 HydrophobicContact CZ2-CD1 4.44Å; W142-I503 HydrophobicContact CZ2-CG1 3.98Å; W142-I503 HydrophobicContact CZ3-CB 4.5Å; W142-I503 HydrophobicContact CZ3-CG1 4.24Å
143S93.4Very high91.5Very high8 Ų842 Ų426%0.05620%0.197CC..G310 helixtrans-59.4-24.3170.7-39.40000112.5N140 P141 L166N140-S143 VanDerWaalsContact O-CB 3.24Å; N140-S143 WeakPolarHBondContact O-CB 3.4Å; N140-S143 PolarHBondContact O-N 3.03Å; N140-S143 PolarHBondContact O-OG 3.02Å; P141-S143 PolarHBondContact O-N 2.58Å; S143-L166 WeakPolarHBondContact OG-CB 3.44Å; S143-L166 PolarHBondContact OG-N 3.49Å
144Y91.2Very high90.3Very high40 Ų4048.6 Ų48.616%0.15723%0.225CC..G310 helixtrans-109.86.4-177-54.5-87.6000112F36 L37 K139 P141 W142 R149F36-Y144 HydrophobicContact CD2-CE1 4.15Å; F36-Y144 HydrophobicContact CD2-CE2 4.09Å; F36-Y144 AromaticContact CD2-CZ 3.8Å; F36-Y144 AromaticContact CE2-CD1 3.87Å; F36-Y144 HydrophobicContact CE2-CD1 3.87Å; F36-Y144 AromaticContact CE2-CD2 3.78Å; F36-Y144 HydrophobicContact CE2-CD2 3.78Å; F36-Y144 AromaticContact CE2-CE1 3.73Å; F36-Y144 HydrophobicContact CE2-CE1 3.73Å; F36-Y144 AromaticContact CE2-CE2 3.6Å; F36-Y144 HydrophobicContact CE2-CE2 3.6Å; F36-Y144 AromaticContact CE2-CG 3.92Å; F36-Y144 HydrophobicContact CE2-CG 3.92Å; F36-Y144 AromaticContact CE2-CZ 3.59Å; F36-Y144 HydrophobicContact CZ-CD1 4.46Å; F36-Y144 HydrophobicContact CZ-CG 4.47Å; L37-Y144 HydrophobicContact CD2-CD2 3.79Å; L37-Y144 HydrophobicContact CD2-CE2 3.67Å; K139-Y144 HydrophobicContact CB-CE2 4.23Å; K139-Y144 WeakPolarHBondContact CD-OH 3.35Å; P141-Y144 PolarHBondContact O-N 2.83Å; W142-Y144 PolarHBondContact O-N 3.04Å; W142-Y144 VanDerWaalsContact O-N 3.15Å; Y144-R149 VanDerWaalsContact CD1-NH2 3.3Å
145S90.4Very high88.8Confident0 Ų048.8 Ų48.80%023%0.227CC..BIsolated β-bridgetrans-72.714817770.90000111.2W142 Q147 Y148 R149 Q504W142-S145 WeakPolarHBondContact O-CB 3.48Å; W142-S145 PolarHBondContact O-N 3.34Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 3.06Å; S145-Q147 VanDerWaalsContact C-N 3.27Å; S145-Q147 PolarHBondContact O-N 2.97Å; S145-Y148 PolarHBondContact O-N 3.22Å; S145-Y148 VanDerWaalsContact OG-CB 3.26Å; S145-Y148 WeakPolarHBondContact OG-CB 3.23Å; S145-Y148 PolarHBondContact OG-N 2.84Å; S145-R149 WeakPolarHBondContact O-CB 3.42Å; S145-R149 WeakPolarHBondContact O-CG 3.49Å; S145-R149 PolarHBondContact O-N 2.76Å; S145-Q504 WeakPolarHBondContact CA-O 3.39Å
146K87.8Confident86.9Confident72 Ų7251.1 Ų51.131%0.31325%0.248SC..Hα-helixtrans-54.7-47.4172.6178.6168.3-173.3-1770111.5Y148 R149 E150 Q504 Q506K146-Y148 VanDerWaalsContact C-N 3.33Å; K146-Y148 PolarHBondContact O-N 2.95Å; K146-R149 PolarHBondContact O-N 3.02Å; K146-E150 WeakPolarHBondContact CE-OE1 3.48Å; K146-E150 HydrophobicContact CG-CG 4.21Å; K146-E150 WeakPolarHBondContact CG-OE1 3.38Å; K146-E150 IonicContact NZ-OE1 2.63Å; K146-E150 WeakPolarHBondContact O-CB 3.33Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.42Å; K146-Q504 HydrophobicContact CB-CB 4.34Å; K146-Q504 PolarHBondContact N-O 3.49Å; K146-Q506 HydrophobicContact CB-CB 4.01Å; K146-Q506 HydrophobicContact CB-CG 4.04Å; K146-Q506 HydrophobicContact CD-CG 4.19Å; K146-Q506 VanDerWaalsContact CG-CD 3.41Å; K146-Q506 HydrophobicContact CG-CG 4.29Å; K146-Q506 VanDerWaalsContact CG-OE1 3.23Å
147Q88.8Confident85Confident32 Ų3257.5 Ų57.515%0.1527%0.271CS..Hα-helixtrans-57.1-45.6-176.4-62.790.5-25.300111.7S145 K151 L466S145-Q147 VanDerWaalsContact C-N 3.27Å; S145-Q147 PolarHBondContact O-N 2.97Å; Q147-K151 VanDerWaalsContact O-CG 3.29Å; Q147-K151 WeakPolarHBondContact O-CG 3.4Å; Q147-L466 HydrophobicContact CB-CD1 4.21Å; Q147-L466 HydrophobicContact CG-CD1 3.97Å
148Y89.1Confident83.1Confident10 Ų1058.1 Ų58.14%0.03928%0.276CS..Hα-helixtrans-72-48.1178.5-179-115.7000112.7W142 S145 K146 E150 K151 R152 L166 Q469 L471W142-Y148 VanDerWaalsContact O-CB 3.28Å; W142-Y148 WeakPolarHBondContact O-CB 3.23Å; S145-Y148 PolarHBondContact O-N 3.22Å; S145-Y148 VanDerWaalsContact OG-CB 3.26Å; S145-Y148 WeakPolarHBondContact OG-CB 3.23Å; S145-Y148 PolarHBondContact OG-N 2.84Å; K146-Y148 VanDerWaalsContact C-N 3.33Å; K146-Y148 PolarHBondContact O-N 2.95Å; Y148-E150 VanDerWaalsContact C-N 3.35Å; Y148-E150 PolarHBondContact O-N 2.99Å; Y148-K151 PolarHBondContact O-N 3.43Å; Y148-R152 HydrophobicContact CD1-CG 4.26Å; Y148-R152 HydrophobicContact CD2-CG 4.2Å; Y148-R152 HydrophobicContact CE1-CG 3.81Å; Y148-R152 HydrophobicContact CE2-CG 3.76Å; Y148-R152 HydrophobicContact CG-CG 4.46Å; Y148-R152 WeakPolarHBondContact O-CB 3.45Å; Y148-R152 PolarHBondContact O-N 3.45Å; Y148-R152 PolarHBondContact OH-NE 3.21Å; Y148-R152 PolarHBondContact OH-NH2 3.35Å; Y148-L166 HydrophobicContact CD1-CD1 4.32Å; Y148-L166 HydrophobicContact CD2-CD1 4.39Å; Y148-L166 HydrophobicContact CE1-CD1 3.99Å; Y148-L166 HydrophobicContact CE1-CG 4.29Å; Y148-L166 HydrophobicContact CE2-CD1 4.05Å; Y148-L166 HydrophobicContact CE2-CD2 4.45Å; Y148-L166 HydrophobicContact CG-CD1 4.49Å; Y148-L166 WeakPolarHBondContact OH-CD2 3.37Å; Y148-Q469 WeakPolarHBondContact CD2-O 3.27Å; Y148-L471 HydrophobicContact CD2-CD1 3.89Å; Y148-L471 HydrophobicContact CD2-CD2 3.41Å; Y148-L471 VanDerWaalsContact CD2-CD2 3.41Å; Y148-L471 HydrophobicContact CD2-CG 3.56Å; Y148-L471 HydrophobicContact CE2-CD1 3.63Å; Y148-L471 HydrophobicContact CE2-CD2 3.96Å; Y148-L471 HydrophobicContact CE2-CG 3.88Å; Y148-L471 HydrophobicContact CG-CD2 3.76Å; Y148-L471 HydrophobicContact CG-CG 4.4Å
149R86.4Confident81Confident71 Ų7167.3 Ų67.327%0.26832%0.316SS..Hα-helixtrans-64.1-38-175-76.8-178.6162.2-169.9-5.9112.6Y144 S145 K146 R152 K153 E507Y144-R149 VanDerWaalsContact CD1-NH2 3.3Å; S145-R149 WeakPolarHBondContact O-CB 3.42Å; S145-R149 WeakPolarHBondContact O-CG 3.49Å; S145-R149 PolarHBondContact O-N 2.76Å; K146-R149 PolarHBondContact O-N 3.02Å; R149-R152 PolarHBondContact O-N 2.87Å; R149-K153 WeakPolarHBondContact O-CG 3.29Å; R149-K153 PolarHBondContact O-N 2.94Å; R149-E507 IonicContact CZ-OE2 2.8Å; R149-E507 VanDerWaalsContact NH1-CD 3.32Å; R149-E507 IonicContact NH1-OE1 3.94Å; R149-E507 PolarHBondContact NH1-OE1 3.35Å; R149-E507 IonicContact NH1-OE2 3.55Å; R149-E507 PolarHBondContact NH1-OE2 3.1Å
150E85.8Confident79Confident93 Ų9369.9 Ų69.944%0.43533%0.332SS..Hα-helixtrans-65.4-42.6176.7-72.9179.716500112K146 Y148K146-E150 WeakPolarHBondContact CE-OE1 3.48Å; K146-E150 HydrophobicContact CG-CG 4.21Å; K146-E150 WeakPolarHBondContact CG-OE1 3.38Å; K146-E150 IonicContact NZ-OE1 2.63Å; K146-E150 WeakPolarHBondContact O-CB 3.33Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.42Å; Y148-E150 VanDerWaalsContact C-N 3.35Å; Y148-E150 PolarHBondContact O-N 2.99Å
151K84.1Confident77.1Confident103 Ų10377.9 Ų77.945%0.44837%0.37SS..Hα-helixtrans-66-39.4175.3-68.3-69.8-175.8174.80111.8Q147 Y148 Q154Q147-K151 VanDerWaalsContact O-CG 3.29Å; Q147-K151 WeakPolarHBondContact O-CG 3.4Å; Y148-K151 PolarHBondContact O-N 3.43Å; K151-Q154 WeakPolarHBondContact O-CB 3.34Å; K151-Q154 PolarHBondContact O-N 3.24Å
152R79.4Confident75.1Confident43 Ų4384.9 Ų84.916%0.16241%0.407CS..Hα-helixtrans-66.1-39.7177.8-88.5-64.3-160.5137.213.7113.9Y148 R149 Q154 N155 D164Y148-R152 HydrophobicContact CD1-CG 4.26Å; Y148-R152 HydrophobicContact CD2-CG 4.2Å; Y148-R152 HydrophobicContact CE1-CG 3.81Å; Y148-R152 HydrophobicContact CE2-CG 3.76Å; Y148-R152 HydrophobicContact CG-CG 4.46Å; Y148-R152 WeakPolarHBondContact O-CB 3.45Å; Y148-R152 PolarHBondContact O-N 3.45Å; Y148-R152 PolarHBondContact OH-NE 3.21Å; Y148-R152 PolarHBondContact OH-NH2 3.35Å; R149-R152 PolarHBondContact O-N 2.87Å; R152-Q154 PolarHBondContact O-N 3.28Å; R152-Q154 VanDerWaalsContact O-N 3.14Å; R152-N155 WeakPolarHBondContact O-CB 3.4Å; R152-N155 PolarHBondContact O-N 3.45Å; R152-D164 IonicContact CZ-OD1 2.65Å; R152-D164 IonicContact CZ-OD2 3.05Å; R152-D164 IonicContact NE-OD2 3.75Å; R152-D164 IonicContact NH1-OD1 3.86Å; R152-D164 IonicContact NH1-OD2 3.93Å; R152-D164 PolarHBondContact NH1-OD2 3.46Å; R152-D164 IonicContact NH2-OD1 3.37Å; R152-D164 PolarHBondContact NH2-OD1 2.98Å; R152-D164 IonicContact NH2-OD2 2.74Å; R152-D164 PolarHBondContact NH2-OD2 3.01Å; R152-D164 VanDerWaalsContact NH2-OD2 3.12Å
153K75.2Confident73.3Confident169 Ų16986.3 Ų86.374%0.73542%0.417SS*.Hα-helixtrans-59.5-24.1176.3-76.7175.5-178.8-178.90113.1R149 N155R149-K153 WeakPolarHBondContact O-CG 3.29Å; R149-K153 PolarHBondContact O-N 2.94Å; K153-N155 VanDerWaalsContact C-N 3.27Å
154Q70.4Confident72.4Confident148 Ų14887.7 Ų87.769%0.69242%0.424SS*.THydrogen-bonded Turntrans-80.9-6.8176.5-61.6171.13.700112.7K151 R152 P156K151-Q154 WeakPolarHBondContact O-CB 3.34Å; K151-Q154 PolarHBondContact O-N 3.24Å; R152-Q154 PolarHBondContact O-N 3.28Å; R152-Q154 VanDerWaalsContact O-N 3.14Å; Q154-P156 WeakPolarHBondContact O-CD 3.48Å
155N66.6Low72.4Confident63 Ų6386.6 Ų86.634%0.33742%0.42SS..  trans-98.8111.1-178.8-168-19000111.7R152 K153 H157 S158R152-N155 WeakPolarHBondContact O-CB 3.4Å; R152-N155 PolarHBondContact O-N 3.45Å; K153-N155 VanDerWaalsContact C-N 3.27Å; N155-H157 PolarHBondContact O-N 3.23Å; N155-H157 PolarHBondContact OD1-N 3.43Å; N155-S158 PolarHBondContact O-N 2.9Å
156P55.8Low72.7Confident109 Ų10986.7 Ų86.771%0.70842%0.42SS*.THydrogen-bonded Turntrans-69.8-2.3-173.125.7-32.8000115.3Q154Q154-P156 WeakPolarHBondContact O-CD 3.48Å
157H58.7Low73.2Confident158 Ų15883.2 Ų83.273%0.73141%0.405SS*.THydrogen-bonded Turntrans-96.8-2-179.4-69.940000113.8N155 K159N155-H157 PolarHBondContact O-N 3.23Å; N155-H157 PolarHBondContact OD1-N 3.43Å; H157-K159 PolarHBondContact O-N 3.41Å; H157-K159 VanDerWaalsContact O-N 3.09Å
158S57.9Low73.6Confident48 Ų4881.7 Ų81.734%0.33640%0.398SS..  trans-75.994.9174.7-173.10000110.3N155N155-S158 PolarHBondContact O-N 2.9Å
159K54.5Low74Confident192 Ų19281.2 Ų81.284%0.83540%0.396SS*.  trans-100.8-3.3-176.1-70.5-174178.8-179.80114.4H157H157-K159 PolarHBondContact O-N 3.41Å; H157-K159 VanDerWaalsContact O-N 3.09Å
160N55Low74.6Confident107 Ų10777.9 Ų77.957%0.57238%0.383SS*.  trans-153.8103.5-178.2-141.3-0.9000112.6D162N160-D162 PolarHBondContact O-N 2.85Å
161E56.8Low75.2Confident167 Ų16773.4 Ų73.478%0.7836%0.363SS*.G310 helixtrans-68.9-29.9-173.8-67.6-172.3154.100113.6S163E161-S163 VanDerWaalsContact C-N 3.32Å; E161-S163 PolarHBondContact O-N 3.13Å
162D54.1Low75.9Confident147 Ų14768.5 Ų68.579%0.78634%0.341SS*.G310 helixtrans-74.7-17.7-173.3-81.4-28.3000114.6N160N160-D162 PolarHBondContact O-N 2.85Å
163S58.3Low76.8Confident32 Ų3266.5 Ų66.522%0.22433%0.334CS..G310 helixtrans-117.75-174.5550000114.4E161 L431E161-S163 VanDerWaalsContact C-N 3.32Å; E161-S163 PolarHBondContact O-N 3.13Å; S163-L431 WeakPolarHBondContact O-CG 3.45Å
164D75.3Confident77.9Confident37 Ų3758.4 Ų58.420%0.19830%0.299CS..  trans-105.241.4-173-15919.3000112.8R152R152-D164 IonicContact CZ-OD1 2.65Å; R152-D164 IonicContact CZ-OD2 3.05Å; R152-D164 IonicContact NE-OD2 3.75Å; R152-D164 IonicContact NH1-OD1 3.86Å; R152-D164 IonicContact NH1-OD2 3.93Å; R152-D164 PolarHBondContact NH1-OD2 3.46Å; R152-D164 IonicContact NH2-OD1 3.37Å; R152-D164 PolarHBondContact NH2-OD1 2.98Å; R152-D164 IonicContact NH2-OD2 2.74Å; R152-D164 PolarHBondContact NH2-OD2 3.01Å; R152-D164 VanDerWaalsContact NH2-OD2 3.12Å
165W90.9Very high79.3Confident18 Ų1851.4 Ų51.47%0.06827%0.266CS..PPolyproline II helixtrans-94.5157.7173.359.2-91000110.8P137 K139 Y430P137-W165 HydrophobicContact CB-CH2 3.55Å; P137-W165 HydrophobicContact CB-CZ2 4.14Å; P137-W165 HydrophobicContact CB-CZ3 4.47Å; P137-W165 HydrophobicContact CG-CH2 3.75Å; P137-W165 HydrophobicContact CG-CZ2 3.79Å; K139-W165 HydrophobicContact CB-CD2 4.16Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CZ3 4.38Å; K139-W165 HydrophobicContact CD-CB 4.45Å; K139-W165 HydrophobicContact CD-CD2 3.87Å; K139-W165 HydrophobicContact CD-CE3 4.36Å; K139-W165 HydrophobicContact CD-CG 3.87Å; K139-W165 HydrophobicContact CG-CD2 3.71Å; K139-W165 HydrophobicContact CG-CE3 3.71Å; K139-W165 HydrophobicContact CG-CG 4.2Å; K139-W165 HydrophobicContact CG-CH2 4.46Å; K139-W165 HydrophobicContact CG-CZ2 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.1Å; W165-Y430 HydrophobicContact CD2-CG 4.44Å; W165-Y430 AromaticContact CE2-CD1 3.9Å; W165-Y430 AromaticContact CE2-CG 3.86Å; W165-Y430 HydrophobicContact CE3-CG 4.45Å; W165-Y430 AromaticContact CH2-CD1 3.9Å; W165-Y430 HydrophobicContact CH2-CD1 3.9Å; W165-Y430 AromaticContact CH2-CD2 3.13Å; W165-Y430 HydrophobicContact CH2-CD2 3.13Å; W165-Y430 HydrophobicContact CH2-CE1 4.38Å; W165-Y430 AromaticContact CH2-CE2 3.69Å; W165-Y430 HydrophobicContact CH2-CE2 3.69Å; W165-Y430 AromaticContact CH2-CG 3.23Å; W165-Y430 HydrophobicContact CH2-CG 3.23Å; W165-Y430 AromaticContact CZ2-CD1 3.38Å; W165-Y430 HydrophobicContact CZ2-CD1 3.38Å; W165-Y430 AromaticContact CZ2-CD2 3.56Å; W165-Y430 HydrophobicContact CZ2-CD2 3.56Å; W165-Y430 AromaticContact CZ2-CE1 3.81Å; W165-Y430 HydrophobicContact CZ2-CE1 3.81Å; W165-Y430 AromaticContact CZ2-CE2 3.95Å; W165-Y430 HydrophobicContact CZ2-CE2 3.95Å; W165-Y430 AromaticContact CZ2-CG 3.23Å; W165-Y430 HydrophobicContact CZ2-CG 3.23Å; W165-Y430 AromaticContact CZ3-CD2 3.91Å; W165-Y430 HydrophobicContact CZ3-CD2 3.91Å; W165-Y430 AromaticContact CZ3-CG 3.91Å; W165-Y430 HydrophobicContact CZ3-CG 3.91Å; W165-Y430 WeakPolarHBondContact O-CB 3.33Å; W165-Y430 PolarHBondContact O-N 3.38Å
166L95.9Very high80.8Confident1 Ų148.4 Ų48.41%0.00525%0.25CC..BIsolated β-bridgetrans-98.2147.8-171.7-56.9160.7000111.4N140 S143 Y148 A427 P429 L471N140-L166 HydrophobicContact CB-CB 4Å; N140-L166 WeakPolarHBondContact CB-O 3.26Å; N140-L166 PolarHBondContact N-O 2.83Å; S143-L166 WeakPolarHBondContact OG-CB 3.44Å; S143-L166 PolarHBondContact OG-N 3.49Å; Y148-L166 HydrophobicContact CD1-CD1 4.32Å; Y148-L166 HydrophobicContact CD2-CD1 4.39Å; Y148-L166 HydrophobicContact CE1-CD1 3.99Å; Y148-L166 HydrophobicContact CE1-CG 4.29Å; Y148-L166 HydrophobicContact CE2-CD1 4.05Å; Y148-L166 HydrophobicContact CE2-CD2 4.45Å; Y148-L166 HydrophobicContact CG-CD1 4.49Å; Y148-L166 WeakPolarHBondContact OH-CD2 3.37Å; L166-A427 HydrophobicContact CB-CB 4.21Å; L166-A427 WeakPolarHBondContact CD2-O 3.23Å; L166-P429 HydrophobicContact CD2-CG 4.17Å; L166-L471 HydrophobicContact CD1-CD1 3.53Å; L166-L471 HydrophobicContact CD1-CD2 3.29Å; L166-L471 HydrophobicContact CD1-CG 4.04Å; L166-L471 HydrophobicContact CD2-CD1 3.98Å; L166-L471 HydrophobicContact CG-CD1 4.41Å
167I97.6Very high82.8Confident0 Ų043.2 Ų43.20%022%0.216CC..BIsolated β-bridgetrans-65.6155.2170.860.4146000111.7T131 N140 G169 V428 Y430 F433T131-I167 HydrophobicContact CG2-CG2 4.09Å; N140-I167 WeakPolarHBondContact CB-O 3.21Å; N140-I167 PolarHBondContact ND2-O 2.87Å; I167-G169 VanDerWaalsContact C-N 3.35Å; I167-V428 WeakPolarHBondContact CG1-O 3.42Å; I167-V428 PolarHBondContact N-O 3.21Å; I167-V428 VanDerWaalsContact N-O 3.09Å; I167-Y430 HydrophobicContact CG2-CD2 4.39Å; I167-F433 HydrophobicContact CD1-CD2 3.74Å; I167-F433 HydrophobicContact CD1-CE2 3.65Å; I167-F433 HydrophobicContact CD1-CG 4.28Å; I167-F433 HydrophobicContact CD1-CZ 4.11Å; I167-F433 HydrophobicContact CG1-CD2 4.45Å; I167-F433 HydrophobicContact CG2-CB 3.95Å; I167-F433 HydrophobicContact CG2-CD1 3.75Å; I167-F433 HydrophobicContact CG2-CD2 4.41Å; I167-F433 HydrophobicContact CG2-CE1 4.28Å; I167-F433 HydrophobicContact CG2-CG 3.8Å
168T98.2Very high84.8Confident0 Ų035.7 Ų35.70%018%0.181CC..  trans-89.2-1.717644.20000113.2V138 N140 G173 A177 P199V138-T168 HydrophobicContact CB-CG2 4.27Å; V138-T168 HydrophobicContact CG1-CG2 3.82Å; N140-T168 VanDerWaalsContact CA-CG2 3.46Å; N140-T168 HydrophobicContact CB-CG2 3.87Å; T168-G173 VanDerWaalsContact OG1-CA 3.27Å; T168-G173 WeakPolarHBondContact OG1-CA 3.45Å; T168-A177 HydrophobicContact CG2-CB 4.13Å; T168-P199 WeakPolarHBondContact O-CA 3Å; T168-P199 WeakPolarHBondContact O-CB 3Å
169G98Very high86.7Confident0 Ų033.4 Ų33.40%017%0.165CC..  trans72.8177.9-157.100000111.5S128 G129 S130 I167S128-G169 CarbonylContact O-C 3.57Å; S128-G169 WeakPolarHBondContact O-CA 3.34Å; G129-G169 CarbonylContact C-O 3.57Å; S130-G169 PolarHBondContact N-O 3.43Å; S130-G169 PolarHBondContact OG-O 3.39Å; I167-G169 VanDerWaalsContact C-N 3.35Å
170G97.3Very high88.7Confident0 Ų024.4 Ų24.40%013%0.126CC..SBendtrans-158.2161.3-175.600000113.6G127 S128 S195G127-G170 CarbonylContact O-C 3.09Å; S128-G170 PolarHBondContact O-N 2.8Å; G170-S195 VanDerWaalsContact O-CA 3.3Å; G170-S195 WeakPolarHBondContact O-CA 3.38Å
171S98.4Very high90.7Very high0 Ų019.4 Ų19.40%010%0.1CC..SBendcis-94.81.57.557.70000115.5K76 L121 D122 A125 G127 G173 S195K76-S171 VanDerWaalsContact CE-O 3.23Å; K76-S171 WeakPolarHBondContact CE-O 3.31Å; K76-S171 VanDerWaalsContact NZ-C 3.34Å; K76-S171 PolarHBondContact NZ-O 3.35Å; K76-S171 PolarHBondContact NZ-OG 3.04Å; L121-S171 VanDerWaalsContact CA-O 3.24Å; L121-S171 WeakPolarHBondContact CA-O 3.43Å; L121-S171 WeakPolarHBondContact CB-O 3.49Å; D122-S171 WeakPolarHBondContact OD2-CA 3.38Å; A125-S171 VanDerWaalsContact CA-OG 3.27Å; A125-S171 WeakPolarHBondContact CA-OG 3.32Å; A125-S171 VanDerWaalsContact CB-OG 3.25Å; A125-S171 WeakPolarHBondContact CB-OG 3.15Å; A125-S171 WeakPolarHBondContact O-CB 3.18Å; A125-S171 PolarHBondContact O-OG 2.91Å; A125-S171 VanDerWaalsContact O-OG 3.12Å; G127-S171 PolarHBondContact O-N 2.95Å; S171-G173 VanDerWaalsContact C-N 3.33Å; S171-G173 PolarHBondContact O-N 2.87Å; S171-S195 VanDerWaalsContact N-CB 3.27Å; S171-S195 PolarHBondContact N-OG 2.82Å; S171-S195 WeakPolarHBondContact OG-CB 3.5Å; S171-S195 PolarHBondContact OG-OG 3.17Å
172S98.8Very high92.6Very high0 Ų012.1 Ų12.10%07%0.066CC..SBendtrans-94.234.6-179.3-44.80000113.6K76 G174 S175 A176 S190 S195K76-S172 WeakPolarHBondContact CD-OG 3.44Å; K76-S172 PolarHBondContact NZ-OG 3.16Å; S172-G174 PolarHBondContact O-N 3.44Å; S172-S175 WeakPolarHBondContact O-CB 3.47Å; S172-S175 PolarHBondContact O-N 2.99Å; S172-A176 PolarHBondContact O-N 3.46Å; S172-A176 VanDerWaalsContact O-N 3.08Å; S172-S190 PolarHBondContact OG-N 2.98Å; S172-S190 VanDerWaalsContact OG-N 3.15Å; S172-S190 PolarHBondContact OG-O 3.11Å; S172-S190 VanDerWaalsContact OG-O 3.08Å; S172-S195 WeakPolarHBondContact CB-O 3.45Å; S172-S195 PolarHBondContact N-O 3.13Å; S172-S195 VanDerWaalsContact N-O 3.16Å; S172-S195 PolarHBondContact OG-O 2.93Å
173G98.8Very high94.7Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-64.8-34.2-174.500000114.1S130 T168 S171 A176 A177S130-G173 WeakPolarHBondContact OG-CA 3.48Å; S130-G173 PolarHBondContact OG-N 3.13Å; T168-G173 VanDerWaalsContact OG1-CA 3.27Å; T168-G173 WeakPolarHBondContact OG1-CA 3.45Å; S171-G173 VanDerWaalsContact C-N 3.33Å; S171-G173 PolarHBondContact O-N 2.87Å; G173-A176 PolarHBondContact O-N 2.9Å; G173-A177 WeakPolarHBondContact O-CB 3.08Å; G173-A177 PolarHBondContact O-N 3.36Å
174G98.9Very high96.6Very high0 Ų03.6 Ų3.60%02%0.018CC..Hα-helixtrans-62.9-41.617300000112.5A39 N120 S172 A177 A178A39-G174 WeakPolarHBondContact O-CA 3.3Å; N120-G174 VanDerWaalsContact O-CA 3.22Å; N120-G174 WeakPolarHBondContact O-CA 3.27Å; N120-G174 PolarHBondContact O-N 2.88Å; S172-G174 PolarHBondContact O-N 3.44Å; G174-A177 PolarHBondContact O-N 3.39Å; G174-A178 VanDerWaalsContact O-CB 3.24Å; G174-A178 WeakPolarHBondContact O-CB 3.44Å; G174-A178 PolarHBondContact O-N 3.12Å
175S98.9Very high97.7Very high0 Ų01.9 Ų1.90%01%0.009CC..Hα-helixtrans-62.3-43.3174.4-61.90000111.7T119 S172 A178 V179 L188T119-S175 PolarHBondContact OG1-N 3.33Å; T119-S175 PolarHBondContact OG1-OG 3.04Å; S172-S175 WeakPolarHBondContact O-CB 3.47Å; S172-S175 PolarHBondContact O-N 2.99Å; S175-A178 PolarHBondContact O-N 3.49Å; S175-V179 WeakPolarHBondContact O-CG2 3.25Å; S175-V179 PolarHBondContact O-N 3.25Å; S175-L188 PolarHBondContact OG-O 3.4Å
176A98.9Very high98.1Very high0 Ų01.2 Ų1.20%01%0.007CC..Hα-helixtrans-65.6-46.5176.900000112.1S172 G173 A178 V179 S180 P199 C203 L205 L233S172-A176 PolarHBondContact O-N 3.46Å; S172-A176 VanDerWaalsContact O-N 3.08Å; G173-A176 PolarHBondContact O-N 2.9Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.47Å; A176-V179 PolarHBondContact O-N 2.97Å; A176-S180 WeakPolarHBondContact O-CB 3.08Å; A176-S180 PolarHBondContact O-N 3.14Å; A176-P199 HydrophobicContact CB-CB 3.6Å; A176-C203 HydrophobicContact CB-CB 3.93Å; A176-L205 HydrophobicContact CB-CD1 4.2Å; A176-L205 VanDerWaalsContact O-CD1 3.22Å; A176-L205 WeakPolarHBondContact O-CD1 3.49Å; A176-L233 HydrophobicContact CB-CD2 3.95Å
177A98.7Very high98.2Very high0 Ų01.3 Ų1.30%01%0.007CC..Hα-helixtrans-60.7-41.3176.700000111.9A39 V138 P141 T168 G173 G174 A181A39-A177 HydrophobicContact CB-CB 3.89Å; V138-A177 HydrophobicContact CG1-CB 3.74Å; P141-A177 HydrophobicContact CG-CB 4.19Å; T168-A177 HydrophobicContact CG2-CB 4.13Å; G173-A177 WeakPolarHBondContact O-CB 3.08Å; G173-A177 PolarHBondContact O-N 3.36Å; G174-A177 PolarHBondContact O-N 3.39Å; A177-A181 WeakPolarHBondContact O-CB 3.48Å; A177-A181 PolarHBondContact O-N 3.43Å
178A98.8Very high98.3Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-60.6-46.4179.100000112.7A39 Y40 A74 T119 G174 S175 A176 F182 T183A39-A178 HydrophobicContact CB-CB 4.35Å; Y40-A178 HydrophobicContact CE2-CB 3.89Å; Y40-A178 WeakPolarHBondContact OH-CB 3.24Å; A74-A178 HydrophobicContact CB-CB 4.47Å; T119-A178 HydrophobicContact CG2-CB 4.18Å; G174-A178 VanDerWaalsContact O-CB 3.24Å; G174-A178 WeakPolarHBondContact O-CB 3.44Å; G174-A178 PolarHBondContact O-N 3.12Å; S175-A178 PolarHBondContact O-N 3.49Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.47Å; A178-F182 PolarHBondContact O-N 2.91Å; A178-T183 VanDerWaalsContact C-OG1 3.3Å; A178-T183 VanDerWaalsContact CA-OG1 3.25Å; A178-T183 WeakPolarHBondContact CA-OG1 3.49Å; A178-T183 WeakPolarHBondContact CB-OG1 3.44Å; A178-T183 PolarHBondContact O-N 3.09Å; A178-T183 PolarHBondContact O-OG1 3.02Å
179V98.6Very high98.3Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-71.9-42.4-180175.40000111.4S175 A176 A181 F182 A187 L205 L233 R235S175-V179 WeakPolarHBondContact O-CG2 3.25Å; S175-V179 PolarHBondContact O-N 3.25Å; A176-V179 PolarHBondContact O-N 2.97Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.21Å; V179-F182 PolarHBondContact O-N 2.75Å; V179-F182 VanDerWaalsContact O-N 3.12Å; V179-A187 HydrophobicContact CG2-CB 3.55Å; V179-L205 HydrophobicContact CB-CD1 3.77Å; V179-L205 HydrophobicContact CB-CD2 4.45Å; V179-L205 HydrophobicContact CG1-CD1 3.9Å; V179-L205 HydrophobicContact CG1-CD2 3.79Å; V179-L205 HydrophobicContact CG1-CG 4.48Å; V179-L233 HydrophobicContact CG2-CB 4.34Å; V179-R235 HydrophobicContact CG1-CG 3.88Å; V179-R235 PolarHBondContact O-NH1 2.93Å
180S97.3Very high98.4Very high3 Ų31.5 Ų1.52%0.0211%0.009CC..Hα-helixtrans-67.2-33.2179.9-176.90000111.9A176 F182 C203 I503A176-S180 WeakPolarHBondContact O-CB 3.08Å; A176-S180 PolarHBondContact O-N 3.14Å; S180-F182 VanDerWaalsContact C-N 3.27Å; S180-F182 PolarHBondContact O-N 3.26Å; S180-C203 PolarHBondContact OG-O 2.95Å; S180-I503 WeakPolarHBondContact O-CG2 3.44Å
181A96.5Very high98.4Very high2 Ų21.5 Ų1.52%0.0171%0.009CC..THydrogen-bonded Turntrans-84.310.5172.900000114.3L30 T34 L37 P141 A177 V179 T183L30-A181 WeakPolarHBondContact CD2-O 3.49Å; T34-A181 HydrophobicContact CG2-CB 4.39Å; L37-A181 HydrophobicContact CD1-CB 3.75Å; P141-A181 HydrophobicContact CG-CB 4.22Å; A177-A181 WeakPolarHBondContact O-CB 3.48Å; A177-A181 PolarHBondContact O-N 3.43Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.21Å; A181-T183 HydrophobicContact CB-CG2 4.27Å; A181-T183 PolarHBondContact O-N 3.39Å; A181-T183 VanDerWaalsContact O-N 3.11Å
182F96.9Very high98.4Very high15 Ų151.5 Ų1.57%0.0661%0.009CC..THydrogen-bonded Turntrans59.219179-50-87000115.8L2 L30 A178 V179 S180 C184 R235 V502 I503L2-F182 HydrophobicContact CB-CB 4.18Å; L2-F182 WeakPolarHBondContact O-CD1 3.28Å; L30-F182 HydrophobicContact CD2-CB 3.93Å; A178-F182 PolarHBondContact O-N 2.91Å; V179-F182 PolarHBondContact O-N 2.75Å; V179-F182 VanDerWaalsContact O-N 3.12Å; S180-F182 VanDerWaalsContact C-N 3.27Å; S180-F182 PolarHBondContact O-N 3.26Å; F182-C184 PolarHBondContact O-N 2.7Å; F182-R235 VanDerWaalsContact CE1-CD 3.48Å; F182-V502 HydrophobicContact CE1-CG1 4.21Å; F182-V502 HydrophobicContact CZ-CG1 3.6Å; F182-I503 HydrophobicContact CE2-CG2 3.55Å; F182-I503 HydrophobicContact CZ-CG2 3.85Å
183T97.8Very high98.3Very high0 Ų01.5 Ų1.50%01%0.009CC..SBendtrans-76.3-13.9177.465.20000112.9C27 L30 I31 Y40 A178 A181C27-T183 VanDerWaalsContact CB-O 3.32Å; C27-T183 WeakPolarHBondContact CB-O 3.28Å; L30-T183 HydrophobicContact CB-CG2 4.33Å; L30-T183 HydrophobicContact CD2-CG2 4.41Å; L30-T183 HydrophobicContact CG-CG2 4.05Å; I31-T183 HydrophobicContact CG1-CG2 3.8Å; Y40-T183 WeakPolarHBondContact CE2-OG1 3.34Å; Y40-T183 PolarHBondContact OH-OG1 3.04Å; A178-T183 VanDerWaalsContact C-OG1 3.3Å; A178-T183 VanDerWaalsContact CA-OG1 3.25Å; A178-T183 WeakPolarHBondContact CA-OG1 3.49Å; A178-T183 WeakPolarHBondContact CB-OG1 3.44Å; A178-T183 PolarHBondContact O-N 3.09Å; A178-T183 PolarHBondContact O-OG1 3.02Å; A181-T183 HydrophobicContact CB-CG2 4.27Å; A181-T183 PolarHBondContact O-N 3.39Å; A181-T183 VanDerWaalsContact O-N 3.11Å
184C98.6Very high98.3Very high0 Ų01.5 Ų1.50%01%0.009CC..  trans-152171.5170.658.40000110.1P72 A74 M116 F182 R235P72-C184 HydrophobicContact CB-CB 4.5Å; A74-C184 HydrophobicContact CB-CB 4.28Å; M116-C184 HydrophobicContact CG-CB 4.43Å; F182-C184 PolarHBondContact O-N 2.7Å; C184-R235 PolarHBondContact O-NH1 2.83Å
185Y98.5Very high98.2Very high1 Ų11.7 Ų1.70%0.0041%0.01CC..SBendtrans-94.8-30.6177.6-72.6-94.4000112.8M1 L2 R4 V9 L23 I71 P72M1-Y185 PolarHBondContact O-OH 3.47Å; L2-Y185 WeakPolarHBondContact CA-OH 3.28Å; R4-Y185 WeakPolarHBondContact O-CE1 3.34Å; V9-Y185 HydrophobicContact CB-CE1 4.18Å; V9-Y185 HydrophobicContact CG2-CE1 3.55Å; V9-Y185 WeakPolarHBondContact CG2-OH 3.13Å; L23-Y185 HydrophobicContact CD1-CE2 3.83Å; L23-Y185 WeakPolarHBondContact CD1-OH 3.31Å; L23-Y185 HydrophobicContact CD2-CE2 4.17Å; L23-Y185 HydrophobicContact CG-CE2 4.3Å; I71-Y185 HydrophobicContact CG2-CD2 4.22Å; I71-Y185 HydrophobicContact CG2-CG 4.19Å; P72-Y185 HydrophobicContact CB-CD2 4.26Å; P72-Y185 HydrophobicContact CG-CD2 4.3Å; P72-Y185 HydrophobicContact CG-CE2 4.36Å; P72-Y185 PolarHBondContact O-N 3Å
186A98.8Very high98.2Very high3 Ų31.7 Ų1.73%0.0251%0.01CC..EExtended strand (participates in β ladder)trans-143.1151.9174.700000110.1V73 A74 L233 T234 V243V73-A186 VanDerWaalsContact CA-O 3.26Å; V73-A186 WeakPolarHBondContact CA-O 3.3Å; V73-A186 HydrophobicContact CG1-CB 4.35Å; A74-A186 PolarHBondContact N-O 3.2Å; A186-L233 WeakPolarHBondContact CA-O 3.4Å; A186-T234 HydrophobicContact CB-CG2 3.87Å; A186-V243 HydrophobicContact CB-CG2 3.69Å
187A98.9Very high98.2Very high3 Ų31.7 Ų1.73%0.0251%0.01CC..EExtended strand (participates in β ladder)trans-133.5142.9170.100000111.7A74 V179 L233A74-A187 HydrophobicContact CB-CB 4.06Å; A74-A187 CarbonylContact O-C 3.58Å; A74-A187 WeakPolarHBondContact O-CA 3.47Å; V179-A187 HydrophobicContact CG2-CB 3.55Å; A187-L233 PolarHBondContact N-O 2.81Å; A187-L233 PolarHBondContact O-N 3.33Å
188L98.9Very high98.2Very high2 Ų21.7 Ų1.71%0.011%0.01CC..EExtended strand (participates in β ladder)trans-76.8131.3166.2-62-174.2000109.5A74 V75 K76 F79 V104 V105 L108 S175 L247A74-L188 PolarHBondContact O-N 3.49Å; V75-L188 HydrophobicContact CG1-CB 4.49Å; V75-L188 HydrophobicContact CG1-CD1 4.34Å; V75-L188 HydrophobicContact CG2-CD1 4.1Å; V75-L188 HydrophobicContact CG2-CG 4.33Å; K76-L188 WeakPolarHBondContact CB-O 3.5Å; K76-L188 PolarHBondContact N-O 3.12Å; K76-L188 VanDerWaalsContact N-O 3.13Å; F79-L188 HydrophobicContact CD2-CB 4.38Å; F79-L188 HydrophobicContact CE2-CB 4.02Å; V104-L188 HydrophobicContact CB-CD1 4.03Å; V104-L188 HydrophobicContact CG2-CD1 3.69Å; V105-L188 HydrophobicContact CG2-CD1 4.39Å; L108-L188 HydrophobicContact CD1-CD1 3.75Å; L108-L188 HydrophobicContact CD1-CD2 4.11Å; L108-L188 HydrophobicContact CD1-CG 3.88Å; S175-L188 PolarHBondContact OG-O 3.4Å; L188-L247 HydrophobicContact CD2-CD1 3.62Å
189G98.8Very high98.2Very high0 Ų01.7 Ų1.70%01%0.01CC..EExtended strand (participates in β ladder)trans-114.4-177.8165.200000110.8F79 G231F79-G189 WeakPolarHBondContact CE2-O 3.33Å; F79-G189 VanDerWaalsContact CZ-O 3.23Å; F79-G189 WeakPolarHBondContact CZ-O 3.45Å; G189-G231 PolarHBondContact N-O 2.96Å; G189-G231 PolarHBondContact O-N 2.87Å
190S98.8Very high98.2Very high2 Ų21.7 Ų1.71%0.0141%0.01CC..EExtended strand (participates in β ladder)trans-129143.6164.870.80000108.6K76 N78 S172 S195 T196K76-S190 PolarHBondContact NZ-OG 3.42Å; N78-S190 PolarHBondContact ND2-OG 3.07Å; S172-S190 PolarHBondContact OG-N 2.98Å; S172-S190 VanDerWaalsContact OG-N 3.15Å; S172-S190 PolarHBondContact OG-O 3.11Å; S172-S190 VanDerWaalsContact OG-O 3.08Å; S190-S195 CarbonylContact O-C 3.34Å; S190-S195 VanDerWaalsContact O-C 3.26Å; S190-S195 WeakPolarHBondContact O-CB 3.42Å; S190-T196 PolarHBondContact O-OG1 3.31Å
191D98.8Very high98.3Very high0 Ų01.5 Ų1.50%01%0.009CC..EExtended strand (participates in β ladder)trans-129.5111.2-178.6-162.1-55.7000109.9G194 S195 T196 R197 K209 V229 N453D191-G194 WeakPolarHBondContact OD1-CA 3.37Å; D191-G194 PolarHBondContact OD1-N 3.07Å; D191-G194 VanDerWaalsContact OD2-C 3.23Å; D191-S195 PolarHBondContact OD2-N 3.1Å; D191-T196 PolarHBondContact OD2-N 3.39Å; D191-R197 IonicContact OD1-CZ 3.98Å; D191-R197 IonicContact OD1-NE 3.53Å; D191-R197 IonicContact OD1-NH2 3.73Å; D191-R197 PolarHBondContact OD1-NH2 3.29Å; D191-R197 IonicContact OD2-CZ 2.91Å; D191-R197 PolarHBondContact OD2-N 3.27Å; D191-R197 IonicContact OD2-NE 3.8Å; D191-R197 PolarHBondContact OD2-NE 3.41Å; D191-R197 IonicContact OD2-NH2 3.41Å; D191-K209 HydrophobicContact CB-CB 4.22Å; D191-K209 HydrophobicContact CB-CD 3.87Å; D191-K209 HydrophobicContact CB-CG 3.73Å; D191-V229 PolarHBondContact N-O 3.01Å; D191-V229 PolarHBondContact O-N 3.15Å; D191-N453 PolarHBondContact O-ND2 2.9Å; D191-N453 PolarHBondContact OD1-ND2 3.14Å; D191-N453 PolarHBondContact OD1-OD1 3.02Å
192T98.4Very high98.4Very high0 Ų01.6 Ų1.60%01%0.009CC..SBendtrans-111-31.4178.5-46.10000112L223 V224 M227 D228 Y327 N453T192-L223 HydrophobicContact CG2-CB 4.4Å; T192-L223 HydrophobicContact CG2-CD2 3.93Å; T192-L223 HydrophobicContact CG2-CG 4.17Å; T192-V224 HydrophobicContact CG2-CB 3.63Å; T192-V224 HydrophobicContact CG2-CG2 3.67Å; T192-M227 HydrophobicContact CG2-CB 4.03Å; T192-D228 WeakPolarHBondContact CB-OD1 3.4Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.27Å; T192-D228 PolarHBondContact OG1-OD1 2.85Å; T192-Y327 HydrophobicContact CG2-CE2 4.19Å; T192-Y327 WeakPolarHBondContact CG2-OH 3.42Å; T192-Y327 WeakPolarHBondContact O-CE2 3.34Å; T192-N453 WeakPolarHBondContact O-CB 3.44Å; T192-N453 PolarHBondContact O-ND2 3.45Å; T192-N453 VanDerWaalsContact O-ND2 3.15Å
193G96.6Very high98.5Very high0 Ų00.9 Ų0.90%01%0.006CC..SBendtrans-142.18.5175.600000114.2T449 Q450 N453G193-T449 CarbonylContact O-C 3.12Å; G193-T449 WeakPolarHBondContact O-CB 3.48Å; G193-T449 PolarHBondContact O-OG1 3.24Å; G193-Q450 WeakPolarHBondContact O-CG 2.98Å; G193-Q450 PolarHBondContact O-N 3.12Å; G193-N453 WeakPolarHBondContact CA-OD1 3.49Å
194G97.4Very high98.5Very high0 Ų01.4 Ų1.40%01%0.011CC..SBendtrans139.8-6.8-167.200000114D191 T196 R197 N198D191-G194 WeakPolarHBondContact OD1-CA 3.37Å; D191-G194 PolarHBondContact OD1-N 3.07Å; D191-G194 VanDerWaalsContact OD2-C 3.23Å; G194-T196 PolarHBondContact O-N 3.35Å; G194-R197 PolarHBondContact O-N 3.19Å; G194-N198 WeakPolarHBondContact O-CB 3.33Å; G194-N198 PolarHBondContact O-N 2.97Å
195S98.1Very high98.5Very high4 Ų41.5 Ų1.53%0.0281%0.012CC..THydrogen-bonded Turntrans-67.4-1.4-164.3-56.80000117.2G170 S171 S172 S190 D191 P199G170-S195 VanDerWaalsContact O-CA 3.3Å; G170-S195 WeakPolarHBondContact O-CA 3.38Å; S171-S195 VanDerWaalsContact N-CB 3.27Å; S171-S195 PolarHBondContact N-OG 2.82Å; S171-S195 WeakPolarHBondContact OG-CB 3.5Å; S171-S195 PolarHBondContact OG-OG 3.17Å; S172-S195 WeakPolarHBondContact CB-O 3.45Å; S172-S195 PolarHBondContact N-O 3.13Å; S172-S195 VanDerWaalsContact N-O 3.16Å; S172-S195 PolarHBondContact OG-O 2.93Å; S190-S195 CarbonylContact O-C 3.34Å; S190-S195 VanDerWaalsContact O-C 3.26Å; S190-S195 WeakPolarHBondContact O-CB 3.42Å; D191-S195 PolarHBondContact OD2-N 3.1Å; S195-P199 WeakPolarHBondContact O-CG 3.43Å
196T98.8Very high98.5Very high0 Ų01.5 Ų1.50%01%0.012CC..THydrogen-bonded Turntrans-109.7-39.6165.9-64.10000111.3S190 D191 G194 A200 L233S190-T196 PolarHBondContact O-OG1 3.31Å; D191-T196 PolarHBondContact OD2-N 3.39Å; G194-T196 PolarHBondContact O-N 3.35Å; T196-A200 WeakPolarHBondContact O-CB 3.18Å; T196-A200 PolarHBondContact O-N 2.87Å; T196-L233 HydrophobicContact CG2-CD1 4.1Å; T196-L233 HydrophobicContact CG2-CD2 4.5Å; T196-L233 HydrophobicContact CG2-CG 3.92Å
197R98.8Very high98.5Very high0 Ų01.3 Ų1.30%01%0.01CC..Hα-helixtrans-71.3-43.8-177.7-67.7166.5-71.1155.3-1.1113.2D191 G194 A200 A201 T422 T449 N453 Q476D191-R197 IonicContact OD1-CZ 3.98Å; D191-R197 IonicContact OD1-NE 3.53Å; D191-R197 IonicContact OD1-NH2 3.73Å; D191-R197 PolarHBondContact OD1-NH2 3.29Å; D191-R197 IonicContact OD2-CZ 2.91Å; D191-R197 PolarHBondContact OD2-N 3.27Å; D191-R197 IonicContact OD2-NE 3.8Å; D191-R197 PolarHBondContact OD2-NE 3.41Å; D191-R197 IonicContact OD2-NH2 3.41Å; G194-R197 PolarHBondContact O-N 3.19Å; R197-A200 WeakPolarHBondContact O-CB 3.26Å; R197-A200 PolarHBondContact O-N 3.08Å; R197-A201 PolarHBondContact O-N 3.03Å; R197-T422 HydrophobicContact CB-CG2 4.07Å; R197-T449 HydrophobicContact CB-CG2 4.32Å; R197-T449 VanDerWaalsContact NH1-CA 3.31Å; R197-T449 VanDerWaalsContact NH1-CB 3.34Å; R197-T449 PolarHBondContact NH1-O 3.25Å; R197-T449 PolarHBondContact NH2-O 3.02Å; R197-T449 VanDerWaalsContact NH2-O 3.11Å; R197-N453 PolarHBondContact NH2-OD1 3.02Å; R197-Q476 VanDerWaalsContact CD-OE1 3.25Å
198N98.7Very high98.5Very high0 Ų01.2 Ų1.20%01%0.009CC..Hα-helixtrans-62.7-49.3178.8-69.7-10.8000111.2G194 A200 A201 H202 D445 D446 T449G194-N198 WeakPolarHBondContact O-CB 3.33Å; G194-N198 PolarHBondContact O-N 2.97Å; N198-A200 VanDerWaalsContact C-N 3.29Å; N198-A200 PolarHBondContact O-N 3.34Å; N198-A201 PolarHBondContact O-N 3.39Å; N198-H202 PolarHBondContact O-CD2 3.48Å; N198-H202 PolarHBondContact O-N 2.85Å; N198-H202 VanDerWaalsContact O-N 3.08Å; N198-D445 PolarHBondContact ND2-O 2.91Å; N198-D446 PolarHBondContact ND2-OD1 2.8Å; N198-T449 WeakPolarHBondContact OD1-CG2 3.46Å
199P98.8Very high98.5Very high0 Ų01.1 Ų1.10%01%0.009CC..Hα-helixtrans-59.4-37.5173.2-2532.3000114.7T168 A176 S195 H202 C203T168-P199 WeakPolarHBondContact O-CA 3Å; T168-P199 WeakPolarHBondContact O-CB 3Å; A176-P199 HydrophobicContact CB-CB 3.6Å; S195-P199 WeakPolarHBondContact O-CG 3.43Å; P199-H202 PolarHBondContact O-N 2.59Å; P199-C203 VanDerWaalsContact O-CB 3.28Å; P199-C203 WeakPolarHBondContact O-CB 3.29Å; P199-C203 PolarHBondContact O-N 2.83Å
200A98.8Very high98.4Very high0 Ų01.1 Ų1.10%01%0.009CC..Hα-helixtrans-64.2-45.117800000112.1T196 R197 N198 H202 C203 G204 L205 L233T196-A200 WeakPolarHBondContact O-CB 3.18Å; T196-A200 PolarHBondContact O-N 2.87Å; R197-A200 WeakPolarHBondContact O-CB 3.26Å; R197-A200 PolarHBondContact O-N 3.08Å; N198-A200 VanDerWaalsContact C-N 3.29Å; N198-A200 PolarHBondContact O-N 3.34Å; A200-H202 PolarHBondContact O-N 2.72Å; A200-C203 PolarHBondContact O-N 3.22Å; A200-G204 PolarHBondContact O-N 2.9Å; A200-L205 HydrophobicContact CB-CB 4.18Å; A200-L205 PolarHBondContact O-N 2.76Å; A200-L233 HydrophobicContact CB-CD2 3.76Å
201A98.6Very high98.4Very high0 Ų01 Ų10%01%0.008CC..Hα-helixtrans-58.9-46.3175.600000111.8R197 N198 C203 T422 T423 P472R197-A201 PolarHBondContact O-N 3.03Å; N198-A201 PolarHBondContact O-N 3.39Å; A201-C203 PolarHBondContact O-N 3.01Å; A201-T422 HydrophobicContact CB-CG2 3.77Å; A201-T423 HydrophobicContact CB-CG2 3.88Å; A201-P472 WeakPolarHBondContact O-CB 3.34Å
202H98.4Very high98.3Very high3 Ų33.6 Ų3.61%0.0142%0.018CC..Hα-helixtrans-71.7-27.5-179.4-69.3-52.2000114.2N140 N198 P199 A200 A427N140-H202 PolarHBondContact ND2-O 3.19Å; N198-H202 PolarHBondContact O-CD2 3.48Å; N198-H202 PolarHBondContact O-N 2.85Å; N198-H202 VanDerWaalsContact O-N 3.08Å; P199-H202 PolarHBondContact O-N 2.59Å; A200-H202 PolarHBondContact O-N 2.72Å; H202-A427 HydrophobicContact CB-CB 4.03Å; H202-A427 VanDerWaalsContact ND1-CA 3.33Å; H202-A427 WeakPolarHBondContact ND1-CA 3.19Å; H202-A427 PolarHBondContact ND1-N 2.73Å
203C98.4Very high98.2Very high0 Ų03.7 Ų3.70%02%0.02CC..Hα-helixtrans-101.46.3-179.1-67.20000114.2W142 A176 S180 P199 A200 A201 L205W142-C203 VanDerWaalsContact NE1-C 3.31Å; W142-C203 PolarHBondContact NE1-O 2.98Å; A176-C203 HydrophobicContact CB-CB 3.93Å; S180-C203 PolarHBondContact OG-O 2.95Å; P199-C203 VanDerWaalsContact O-CB 3.28Å; P199-C203 WeakPolarHBondContact O-CB 3.29Å; P199-C203 PolarHBondContact O-N 2.83Å; A200-C203 PolarHBondContact O-N 3.22Å; A201-C203 PolarHBondContact O-N 3.01Å; C203-L205 HydrophobicContact CB-CD1 4.32Å; C203-L205 HydrophobicContact CB-CG 4.36Å
204G98Very high98.2Very high11 Ų114 Ų411%0.1132%0.021CC..THydrogen-bonded Turntrans67.146.2176.700000113A200A200-G204 PolarHBondContact O-N 2.9Å
205L98.6Very high98.2Very high3 Ų34.1 Ų4.12%0.0162%0.022CC..SBendtrans-127.6164.1-175.3-65.5-179.4000111.9A176 V179 A200 C203 L233 T234 R235 P463A176-L205 HydrophobicContact CB-CD1 4.2Å; A176-L205 VanDerWaalsContact O-CD1 3.22Å; A176-L205 WeakPolarHBondContact O-CD1 3.49Å; V179-L205 HydrophobicContact CB-CD1 3.77Å; V179-L205 HydrophobicContact CB-CD2 4.45Å; V179-L205 HydrophobicContact CG1-CD1 3.9Å; V179-L205 HydrophobicContact CG1-CD2 3.79Å; V179-L205 HydrophobicContact CG1-CG 4.48Å; A200-L205 HydrophobicContact CB-CB 4.18Å; A200-L205 PolarHBondContact O-N 2.76Å; C203-L205 HydrophobicContact CB-CD1 4.32Å; C203-L205 HydrophobicContact CB-CG 4.36Å; L205-L233 HydrophobicContact CD1-CD2 4.22Å; L205-T234 WeakPolarHBondContact CB-O 3.46Å; L205-R235 HydrophobicContact CD2-CG 3.81Å; L205-P463 WeakPolarHBondContact O-CD 3.3Å
206V98.8Very high98.2Very high0 Ų04 Ų40%02%0.021CC..EExtended strand (participates in β ladder)trans-79.4121.4163.4176.60000108.7L233 T234 V237 A240 V460 S461 I462 E495V206-L233 WeakPolarHBondContact O-CA 3.19Å; V206-T234 PolarHBondContact N-O 2.9Å; V206-T234 PolarHBondContact O-N 3.22Å; V206-V237 HydrophobicContact CG1-CG2 4.16Å; V206-V237 HydrophobicContact CG2-CG2 4.04Å; V206-A240 HydrophobicContact CG1-CB 4.22Å; V206-V460 HydrophobicContact CG1-CG2 3.82Å; V206-S461 WeakPolarHBondContact CA-O 3.39Å; V206-I462 HydrophobicContact CB-CD1 4.4Å; V206-I462 HydrophobicContact CG1-CD1 3.94Å; V206-I462 HydrophobicContact CG2-CD1 3.82Å; V206-E495 WeakPolarHBondContact CG2-OE1 3.33Å
207G98.8Very high98.1Very high0 Ų05.5 Ų5.50%03%0.027CC..EExtended strand (participates in β ladder)trans-119.7106.8178.100000110.5V460 S461G207-V460 CarbonylContact O-C 3.54Å; G207-V460 WeakPolarHBondContact O-CA 3.41Å; G207-S461 PolarHBondContact N-O 3.08Å; G207-S461 PolarHBondContact O-N 3.41Å
208F98.9Very high98.1Very high0 Ų07.6 Ų7.60%04%0.036CC..EExtended strand (participates in β ladder)trans-109.4124.9-175.1178.7-127000111.8P210 G231 I232 A240 L244 P458 A459 V460 D484 L487 L488F208-P210 HydrophobicContact CD1-CG 4.15Å; F208-P210 HydrophobicContact CE1-CB 4.17Å; F208-P210 HydrophobicContact CE1-CG 3.74Å; F208-P210 HydrophobicContact CZ-CB 4.25Å; F208-P210 HydrophobicContact CZ-CG 4.26Å; F208-G231 WeakPolarHBondContact O-CA 3.13Å; F208-I232 HydrophobicContact CB-CB 4.47Å; F208-I232 HydrophobicContact CD1-CD1 4.14Å; F208-I232 PolarHBondContact N-O 2.99Å; F208-I232 PolarHBondContact O-N 2.64Å; F208-A240 HydrophobicContact CB-CB 4.44Å; F208-L244 HydrophobicContact CE1-CB 4.33Å; F208-L244 HydrophobicContact CE1-CD1 4.1Å; F208-L244 HydrophobicContact CE1-CD2 3.53Å; F208-L244 HydrophobicContact CE1-CG 4.16Å; F208-L244 HydrophobicContact CZ-CD2 4.04Å; F208-P458 HydrophobicContact CE2-CB 4.37Å; F208-A459 WeakPolarHBondContact CD2-O 3.38Å; F208-V460 HydrophobicContact CB-CG2 4.22Å; F208-V460 HydrophobicContact CD2-CB 3.87Å; F208-V460 HydrophobicContact CD2-CG2 4.37Å; F208-D484 HydrophobicContact CZ-CB 4.02Å; F208-D484 WeakPolarHBondContact CZ-OD1 3.44Å; F208-L487 HydrophobicContact CE2-CD2 4.19Å; F208-L488 HydrophobicContact CD1-CD1 4.08Å; F208-L488 HydrophobicContact CD1-CD2 4.36Å; F208-L488 HydrophobicContact CD2-CD2 3.91Å; F208-L488 HydrophobicContact CD2-CG 4.45Å; F208-L488 HydrophobicContact CE1-CD1 3.79Å; F208-L488 HydrophobicContact CE1-CG 4.44Å; F208-L488 HydrophobicContact CE2-CD1 4.41Å; F208-L488 HydrophobicContact CE2-CD2 4.15Å; F208-L488 HydrophobicContact CE2-CG 4.2Å; F208-L488 HydrophobicContact CG-CD2 4.01Å; F208-L488 HydrophobicContact CZ-CD1 3.96Å; F208-L488 HydrophobicContact CZ-CD2 4.49Å; F208-L488 HydrophobicContact CZ-CG 4.2Å
209K98.8Very high98.1Very high0 Ų08 Ų80%04%0.04CC..EExtended strand (participates in β ladder)trans-106.7108.8169-172.6-161.38065.60108.8D191 V229 N453 L457 P458 A459D191-K209 HydrophobicContact CB-CB 4.22Å; D191-K209 HydrophobicContact CB-CD 3.87Å; D191-K209 HydrophobicContact CB-CG 3.73Å; K209-V229 HydrophobicContact CD-CB 4.35Å; K209-V229 HydrophobicContact CD-CG2 4.45Å; K209-V229 HydrophobicContact CG-CB 3.9Å; K209-V229 HydrophobicContact CG-CG1 3.96Å; K209-V229 HydrophobicContact CG-CG2 4.43Å; K209-N453 WeakPolarHBondContact CD-ND2 3.38Å; K209-L457 WeakPolarHBondContact CE-O 3.3Å; K209-L457 PolarHBondContact NZ-O 2.89Å; K209-P458 CarbonylContact O-C 3.52Å; K209-P458 VanDerWaalsContact O-CA 3.26Å; K209-P458 WeakPolarHBondContact O-CA 3.46Å; K209-A459 PolarHBondContact N-O 3.38Å; K209-A459 PolarHBondContact O-N 3.42Å
210P97.7Very high98.1Very high0 Ų08.6 Ų8.60%04%0.044CC..PPolyproline II helixtrans-60.7170.2175-22.532.1000113.9F208 L214 V215 V229 P230 L244 D484F208-P210 HydrophobicContact CD1-CG 4.15Å; F208-P210 HydrophobicContact CE1-CB 4.17Å; F208-P210 HydrophobicContact CE1-CG 3.74Å; F208-P210 HydrophobicContact CZ-CB 4.25Å; F208-P210 HydrophobicContact CZ-CG 4.26Å; P210-L214 HydrophobicContact CB-CB 4.43Å; P210-L214 HydrophobicContact CB-CD2 4.27Å; P210-V215 HydrophobicContact CB-CG2 4.13Å; P210-V215 HydrophobicContact CG-CG2 3.97Å; P210-V229 HydrophobicContact CB-CG1 4.3Å; P210-V229 HydrophobicContact CG-CG1 4.43Å; P210-P230 WeakPolarHBondContact CD-O 3.37Å; P210-L244 HydrophobicContact CB-CD1 4.21Å; P210-L244 HydrophobicContact CG-CD1 3.91Å; P210-D484 VanDerWaalsContact CA-OD1 3.23Å; P210-D484 WeakPolarHBondContact CA-OD1 3.36Å
211S97.7Very high98.1Very high0 Ų09.6 Ų9.60%05%0.049CC..PPolyproline II helixtrans-55.9139.9167.5-67.10000111.1G213 L214 P458 F482 D484S211-G213 PolarHBondContact O-N 3.22Å; S211-L214 WeakPolarHBondContact O-CB 3.45Å; S211-L214 PolarHBondContact O-N 3.29Å; S211-P458 VanDerWaalsContact OG-CD 3.24Å; S211-P458 WeakPolarHBondContact OG-CD 3.32Å; S211-P458 WeakPolarHBondContact OG-CG 3.38Å; S211-F482 PolarHBondContact OG-N 2.93Å; S211-D484 WeakPolarHBondContact CB-OD2 3.44Å; S211-D484 PolarHBondContact N-OD1 2.9Å; S211-D484 PolarHBondContact OG-OD2 2.86Å
212Y98Very high98Very high54 Ų5410.2 Ų10.221%0.2125%0.052CC..THydrogen-bonded Turntrans-61.6124.4174.5179-87.9000109.5N225 V229 G456 F482Y212-N225 WeakPolarHBondContact CE2-O 3.24Å; Y212-N225 PolarHBondContact OH-O 3.1Å; Y212-V229 HydrophobicContact CD2-CG2 3.97Å; Y212-G456 PolarHBondContact N-O 2.92Å; Y212-F482 WeakPolarHBondContact O-CZ 3.44Å
213G96.2Very high97.9Very high3 Ų310.1 Ų10.13%0.0315%0.052CC..THydrogen-bonded Turntrans92.2-6.3-176.200000115.3S211 T256 T257 V258S211-G213 PolarHBondContact O-N 3.22Å; G213-T256 WeakPolarHBondContact CA-O 3.45Å; G213-T257 CarbonylContact O-C 3.56Å; G213-T257 VanDerWaalsContact O-CA 3.28Å; G213-T257 WeakPolarHBondContact O-CA 3.47Å; G213-V258 PolarHBondContact O-N 3.5Å
214L95.5Very high97.8Very high5 Ų510.1 Ų10.13%0.0265%0.052CC..THydrogen-bonded Turntrans-75.5-32.1174.9-178.358.7000112.7P210 S211 L244 A248 G249 D260 F482 D484P210-L214 HydrophobicContact CB-CB 4.43Å; P210-L214 HydrophobicContact CB-CD2 4.27Å; S211-L214 WeakPolarHBondContact O-CB 3.45Å; S211-L214 PolarHBondContact O-N 3.29Å; L214-L244 HydrophobicContact CD2-CD1 4.15Å; L214-L244 HydrophobicContact CD2-CD2 4.36Å; L214-A248 HydrophobicContact CD1-CB 4.05Å; L214-A248 HydrophobicContact CG-CB 4.12Å; L214-G249 PolarHBondContact O-N 3.15Å; L214-D260 HydrophobicContact CD1-CB 4.31Å; L214-F482 HydrophobicContact CB-CD1 4.45Å; L214-F482 HydrophobicContact CB-CE1 4.26Å; L214-D484 HydrophobicContact CD2-CB 3.98Å; L214-D484 VanDerWaalsContact CD2-CG 3.42Å; L214-D484 WeakPolarHBondContact CD2-OD1 3.23Å
215V96.8Very high97.7Very high3 Ų312.1 Ų12.12%0.0186%0.06CC..BIsolated β-bridgetrans-124132.6-179.1-177.40000109.3V104 P210 P230 L244 L247V104-V215 HydrophobicContact CG1-CG1 3.3Å; P210-V215 HydrophobicContact CB-CG2 4.13Å; P210-V215 HydrophobicContact CG-CG2 3.97Å; V215-P230 HydrophobicContact CB-CG 4.49Å; V215-P230 HydrophobicContact CG1-CB 3.97Å; V215-P230 HydrophobicContact CG1-CG 3.98Å; V215-L244 HydrophobicContact CG2-CD1 3.86Å; V215-L247 HydrophobicContact CG1-CB 4.03Å; V215-L247 HydrophobicContact CG2-CB 4.31Å
216S98.3Very high97.6Very high1 Ų113.3 Ų13.31%0.0077%0.069CC..  trans-61.7138.3-176.6175.70000113.4V104 H218 P230 D251 D254V104-S216 WeakPolarHBondContact CG1-O 3.32Å; S216-H218 WeakPolarHBondContact OG-CB 3.39Å; S216-H218 PolarHBondContact OG-N 3.35Å; S216-P230 VanDerWaalsContact O-CG 3.29Å; S216-P230 WeakPolarHBondContact O-CG 3.38Å; S216-D251 VanDerWaalsContact CB-OD2 3.3Å; S216-D251 WeakPolarHBondContact CB-OD2 3.46Å; S216-D251 PolarHBondContact OG-OD2 3.02Å; S216-D254 WeakPolarHBondContact OG-CB 3.48Å
217R98.6Very high97.5Very high32 Ų3213.3 Ų13.312%0.1217%0.069CC..  trans-95.5-1.4171.9-55.2177.8-55.9105.22.8112.2G219 L220 N225 D228 D254 T256R217-G219 PolarHBondContact O-N 3.35Å; R217-G219 VanDerWaalsContact O-N 3.13Å; R217-L220 WeakPolarHBondContact O-CB 3.27Å; R217-L220 PolarHBondContact O-N 2.83Å; R217-N225 PolarHBondContact NH1-O 3.21Å; R217-N225 PolarHBondContact NH1-OD1 3.41Å; R217-N225 VanDerWaalsContact NH1-OD1 3.08Å; R217-D228 WeakPolarHBondContact CD-O 3.49Å; R217-D254 WeakPolarHBondContact CB-OD2 3.25Å; R217-D254 PolarHBondContact N-OD2 2.92Å; R217-D254 IonicContact NE-OD2 3.58Å; R217-D254 IonicContact NH2-OD1 2.89Å; R217-T256 PolarHBondContact NE-OG1 2.93Å; R217-T256 VanDerWaalsContact NE-OG1 3.08Å; R217-T256 PolarHBondContact NH2-OG1 2.84Å
218H98.7Very high97.5Very high45 Ų4513.4 Ų13.421%0.2087%0.07CC..THydrogen-bonded Turntrans-58.9121.8177.5170.6-93.7000110.7Y100 A102 T103 S216 L220 D251 K253 D254Y100-H218 AromaticContact CD2-CE1 3.77Å; Y100-H218 AromaticContact CE2-CE1 3.86Å; A102-H218 CarbonylContact C-O 3.48Å; A102-H218 VanDerWaalsContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CB-O 3.42Å; T103-H218 PolarHBondContact N-O 2.93Å; T103-H218 PolarHBondContact OG1-ND1 3.16Å; S216-H218 WeakPolarHBondContact OG-CB 3.39Å; S216-H218 PolarHBondContact OG-N 3.35Å; H218-L220 VanDerWaalsContact C-N 3.31Å; H218-L220 PolarHBondContact O-N 2.91Å; H218-D251 WeakPolarHBondContact CB-OD2 3.38Å; H218-K253 HydrophobicContact CB-CB 3.96Å; H218-D254 HydrophobicContact CB-CB 4.23Å
219G98.4Very high97.5Very high8 Ų813.6 Ų13.68%0.0827%0.071CC..THydrogen-bonded Turntrans79.7-0.5-176.900000116S80 R217S80-G219 WeakPolarHBondContact CB-O 3.27Å; S80-G219 PolarHBondContact N-O 3.17Å; S80-G219 PolarHBondContact OG-O 3.08Å; R217-G219 PolarHBondContact O-N 3.35Å; R217-G219 VanDerWaalsContact O-N 3.13Å
220L98.7Very high97.5Very high13 Ų1313.7 Ų13.77%0.0687%0.071CC..BIsolated β-bridgetrans-74.2119.8158.5171.857.4000108N78 F79 R217 H218 P222 D228 P230N78-L220 HydrophobicContact CB-CD1 4.37Å; F79-L220 HydrophobicContact CD1-CB 4Å; F79-L220 HydrophobicContact CD1-CD1 4.08Å; F79-L220 HydrophobicContact CE1-CB 3.83Å; F79-L220 HydrophobicContact CE1-CD1 3.77Å; F79-L220 HydrophobicContact CE1-CD2 4.24Å; F79-L220 HydrophobicContact CE1-CG 4.15Å; F79-L220 HydrophobicContact CE2-CD1 4.3Å; F79-L220 HydrophobicContact CG-CD1 4.49Å; F79-L220 HydrophobicContact CZ-CD1 3.88Å; F79-L220 HydrophobicContact CZ-CD2 4.47Å; R217-L220 WeakPolarHBondContact O-CB 3.27Å; R217-L220 PolarHBondContact O-N 2.83Å; H218-L220 VanDerWaalsContact C-N 3.31Å; H218-L220 PolarHBondContact O-N 2.91Å; L220-P222 WeakPolarHBondContact O-CD 3.37Å; L220-D228 HydrophobicContact CD2-CB 4.17Å; L220-P230 HydrophobicContact CD2-CG 4.32Å
221I98.4Very high97.5Very high21 Ų2113.7 Ų13.711%0.1087%0.071CC..PPolyproline II helixtrans-69.1116.8174.6-65168.7000107.4N78 T86 C88 L93 F124 F342N78-I221 PolarHBondContact O-N 2.97Å; T86-I221 HydrophobicContact CG2-CD1 3.56Å; C88-I221 WeakPolarHBondContact SG-CD1 3.44Å; L93-I221 HydrophobicContact CD1-CD1 3.95Å; F124-I221 HydrophobicContact CD1-CG2 4.07Å; F124-I221 HydrophobicContact CE1-CG2 3.97Å; I221-F342 HydrophobicContact CG2-CZ 4.05Å
222P95.7Very high97.6Very high12 Ų1213.7 Ų13.78%0.0787%0.071CC..PPolyproline II helixtrans-79.6145.3-161.530.6-36000112.8L220 N225 D228 N338 M339L220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-N225 WeakPolarHBondContact CB-OD1 3.25Å; P222-D228 VanDerWaalsContact CA-OD2 3.31Å; P222-D228 WeakPolarHBondContact CA-OD2 3.29Å; P222-N338 HydrophobicContact CG-CB 4.37Å; P222-M339 WeakPolarHBondContact O-CE 3.35Å
223L96.9Very high97.6Very high2 Ų211.1 Ų11.11%0.016%0.061CC..SBendtrans-96.6-63.5161.817760.2000109.2A125 M126 T192 D228 V335 N338A125-L223 HydrophobicContact CB-CD2 4.3Å; M126-L223 HydrophobicContact CE-CD1 3.56Å; M126-L223 HydrophobicContact CG-CD1 3.47Å; M126-L223 VanDerWaalsContact CG-CD1 3.47Å; M126-L223 HydrophobicContact SD-CD1 4.12Å; T192-L223 HydrophobicContact CG2-CB 4.4Å; T192-L223 HydrophobicContact CG2-CD2 3.93Å; T192-L223 HydrophobicContact CG2-CG 4.17Å; L223-D228 PolarHBondContact N-OD2 2.99Å; L223-V335 HydrophobicContact CD1-CG2 3.47Å; L223-V335 VanDerWaalsContact CD1-CG2 3.47Å; L223-V335 HydrophobicContact CG-CG2 4.48Å; L223-N338 PolarHBondContact O-ND2 2.99Å; L223-N338 VanDerWaalsContact O-ND2 3.09Å
224V97.3Very high97.7Very high0 Ų011 Ų110%06%0.06CC..  trans-131.8105.8176.3-173.80000108.9T192 S226 M227 D228 C331 E334T192-V224 HydrophobicContact CG2-CB 3.63Å; T192-V224 HydrophobicContact CG2-CG2 3.67Å; V224-S226 PolarHBondContact O-N 2.83Å; V224-S226 VanDerWaalsContact O-N 3.08Å; V224-M227 HydrophobicContact CB-CB 4.16Å; V224-M227 HydrophobicContact CG1-CB 4Å; V224-M227 HydrophobicContact CG1-CG 3.93Å; V224-M227 HydrophobicContact CG1-SD 4.16Å; V224-M227 PolarHBondContact O-N 2.84Å; V224-D228 VanDerWaalsContact N-CG 3.33Å; V224-D228 PolarHBondContact N-OD1 2.84Å; V224-D228 PolarHBondContact N-OD2 3.2Å; V224-D228 WeakPolarHBondContact O-CB 3.36Å; V224-D228 PolarHBondContact O-N 2.86Å; V224-C331 HydrophobicContact CG2-CB 3.71Å; V224-C331 VanDerWaalsContact CG2-SG 3.59Å; V224-E334 HydrophobicContact CG1-CB 4.15Å; V224-E334 HydrophobicContact CG1-CG 4.14Å; V224-E334 WeakPolarHBondContact CG1-OE1 3.43Å
225N95.4Very high97.8Very high52 Ų5213 Ų1328%0.2787%0.067SC..THydrogen-bonded Turntrans-57.8-33-174.8-75-61.1000113Y212 R217 P222 M227 E334 N338Y212-N225 WeakPolarHBondContact CE2-O 3.24Å; Y212-N225 PolarHBondContact OH-O 3.1Å; R217-N225 PolarHBondContact NH1-O 3.21Å; R217-N225 PolarHBondContact NH1-OD1 3.41Å; R217-N225 VanDerWaalsContact NH1-OD1 3.08Å; P222-N225 WeakPolarHBondContact CB-OD1 3.25Å; N225-M227 VanDerWaalsContact C-N 3.25Å; N225-M227 PolarHBondContact O-N 2.83Å; N225-E334 WeakPolarHBondContact CB-OE2 3.46Å; N225-E334 PolarHBondContact N-OE2 2.8Å; N225-N338 PolarHBondContact ND2-ND2 2.84Å; N225-N338 PolarHBondContact ND2-OD1 3.42Å
226S95.4Very high97.8Very high28 Ų2813.7 Ų13.720%0.1967%0.071CC..THydrogen-bonded Turntrans-80.1-0.5-179.674.20000114.6V224 E334 R400V224-S226 PolarHBondContact O-N 2.83Å; V224-S226 VanDerWaalsContact O-N 3.08Å; S226-E334 VanDerWaalsContact CB-OE1 3.25Å; S226-E334 WeakPolarHBondContact CB-OE1 3.41Å; S226-E334 PolarHBondContact N-OE2 2.95Å; S226-E334 PolarHBondContact OG-OE1 3.1Å; S226-R400 VanDerWaalsContact CB-NH1 3.35Å; S226-R400 PolarHBondContact O-NH2 2.96Å; S226-R400 PolarHBondContact OG-NH1 2.92Å
227M97.7Very high97.8Very high0 Ų013.6 Ų13.60%07%0.071CC..THydrogen-bonded Turntrans-140.2-19.6-175.1-61.6-176.2-16600114.5T192 V224 N225 V229 Y327 L330 N453 M454T192-M227 HydrophobicContact CG2-CB 4.03Å; V224-M227 HydrophobicContact CB-CB 4.16Å; V224-M227 HydrophobicContact CG1-CB 4Å; V224-M227 HydrophobicContact CG1-CG 3.93Å; V224-M227 HydrophobicContact CG1-SD 4.16Å; V224-M227 PolarHBondContact O-N 2.84Å; N225-M227 VanDerWaalsContact C-N 3.25Å; N225-M227 PolarHBondContact O-N 2.83Å; M227-V229 PolarHBondContact O-N 3.22Å; M227-Y327 HydrophobicContact SD-CD2 3.7Å; M227-Y327 HydrophobicContact SD-CE2 3.8Å; M227-L330 HydrophobicContact CE-CB 3.99Å; M227-L330 HydrophobicContact CE-CD1 3.61Å; M227-L330 HydrophobicContact CE-CG 4.46Å; M227-N453 HydrophobicContact CB-CB 4.25Å; M227-M454 HydrophobicContact CE-CG 3.92Å; M227-M454 HydrophobicContact SD-CG 4.18Å
228D98.5Very high97.6Very high3 Ų313.7 Ų13.72%0.0167%0.074CC..  trans-62.7127.4179.1-70-16.8000111T192 R217 L220 P222 L223 V224T192-D228 WeakPolarHBondContact CB-OD1 3.4Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.27Å; T192-D228 PolarHBondContact OG1-OD1 2.85Å; R217-D228 WeakPolarHBondContact CD-O 3.49Å; L220-D228 HydrophobicContact CD2-CB 4.17Å; P222-D228 VanDerWaalsContact CA-OD2 3.31Å; P222-D228 WeakPolarHBondContact CA-OD2 3.29Å; L223-D228 PolarHBondContact N-OD2 2.99Å; V224-D228 VanDerWaalsContact N-CG 3.33Å; V224-D228 PolarHBondContact N-OD1 2.84Å; V224-D228 PolarHBondContact N-OD2 3.2Å; V224-D228 WeakPolarHBondContact O-CB 3.36Å; V224-D228 PolarHBondContact O-N 2.86Å
229V98.6Very high97.5Very high4 Ų411.6 Ų11.62%0.0246%0.064CC..EExtended strand (participates in β ladder)trans-131.6130.4172.4-178.40000109.1D191 K209 P210 Y212 M227 G231D191-V229 PolarHBondContact N-O 3.01Å; D191-V229 PolarHBondContact O-N 3.15Å; K209-V229 HydrophobicContact CD-CB 4.35Å; K209-V229 HydrophobicContact CD-CG2 4.45Å; K209-V229 HydrophobicContact CG-CB 3.9Å; K209-V229 HydrophobicContact CG-CG1 3.96Å; K209-V229 HydrophobicContact CG-CG2 4.43Å; P210-V229 HydrophobicContact CB-CG1 4.3Å; P210-V229 HydrophobicContact CG-CG1 4.43Å; Y212-V229 HydrophobicContact CD2-CG2 3.97Å; M227-V229 PolarHBondContact O-N 3.22Å; V229-G231 PolarHBondContact O-N 3.2Å
230P98.8Very high97.5Very high1 Ų111.2 Ų11.21%0.0066%0.06CC..EExtended strand (participates in β ladder)trans-58.8119.8166.6-22.233.5000110.1F79 V104 P210 V215 S216 L220F79-P230 HydrophobicContact CE1-CB 4.06Å; F79-P230 HydrophobicContact CE1-CG 4.2Å; F79-P230 HydrophobicContact CZ-CB 3.99Å; V104-P230 HydrophobicContact CG1-CB 4.21Å; V104-P230 HydrophobicContact CG1-CG 4.22Å; P210-P230 WeakPolarHBondContact CD-O 3.37Å; V215-P230 HydrophobicContact CB-CG 4.49Å; V215-P230 HydrophobicContact CG1-CB 3.97Å; V215-P230 HydrophobicContact CG1-CG 3.98Å; S216-P230 VanDerWaalsContact O-CG 3.29Å; S216-P230 WeakPolarHBondContact O-CG 3.38Å; L220-P230 HydrophobicContact CD2-CG 4.32Å
231G98.6Very high97.4Very high0 Ų010.9 Ų10.90%06%0.059CC..EExtended strand (participates in β ladder)trans-99.3160.2-179.200000112.2G189 F208 V229G189-G231 PolarHBondContact N-O 2.96Å; G189-G231 PolarHBondContact O-N 2.87Å; F208-G231 WeakPolarHBondContact O-CA 3.13Å; V229-G231 PolarHBondContact O-N 3.2Å
232I98.9Very high97.2Very high1 Ų111.6 Ų11.61%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-121.4128.1-178.9-62.4165.7000108.5F208 T234 A240 V243 L244 L247F208-I232 HydrophobicContact CB-CB 4.47Å; F208-I232 HydrophobicContact CD1-CD1 4.14Å; F208-I232 PolarHBondContact N-O 2.99Å; F208-I232 PolarHBondContact O-N 2.64Å; I232-T234 HydrophobicContact CG2-CG2 3.96Å; I232-A240 HydrophobicContact CG2-CB 4.15Å; I232-V243 HydrophobicContact CD1-CB 4.31Å; I232-V243 HydrophobicContact CD1-CG1 3.92Å; I232-V243 HydrophobicContact CG1-CG1 3.93Å; I232-V243 HydrophobicContact CG2-CB 3.97Å; I232-V243 HydrophobicContact CG2-CG1 3.89Å; I232-L244 HydrophobicContact CD1-CB 3.85Å; I232-L244 HydrophobicContact CD1-CD1 4.3Å; I232-L247 HydrophobicContact CD1-CD1 4.07Å; I232-L247 HydrophobicContact CG1-CD1 4.09Å
233L98.9Very high97.3Very high0 Ų011.2 Ų11.20%06%0.06CC..EExtended strand (participates in β ladder)trans-115.7125.4173.3-73.6131.9000109.9A176 V179 A186 A187 T196 A200 L205 V206A176-L233 HydrophobicContact CB-CD2 3.95Å; V179-L233 HydrophobicContact CG2-CB 4.34Å; A186-L233 WeakPolarHBondContact CA-O 3.4Å; A187-L233 PolarHBondContact N-O 2.81Å; A187-L233 PolarHBondContact O-N 3.33Å; T196-L233 HydrophobicContact CG2-CD1 4.1Å; T196-L233 HydrophobicContact CG2-CD2 4.5Å; T196-L233 HydrophobicContact CG2-CG 3.92Å; A200-L233 HydrophobicContact CB-CD2 3.76Å; L205-L233 HydrophobicContact CD1-CD2 4.22Å; V206-L233 WeakPolarHBondContact O-CA 3.19Å
234T98.6Very high97.3Very high0 Ų011.1 Ų11.10%06%0.06CC..EExtended strand (participates in β ladder)trans-143.9172.1178.758.20000110.6A186 L205 V206 I232 C236 D239 A240A186-T234 HydrophobicContact CB-CG2 3.87Å; L205-T234 WeakPolarHBondContact CB-O 3.46Å; V206-T234 PolarHBondContact N-O 2.9Å; V206-T234 PolarHBondContact O-N 3.22Å; I232-T234 HydrophobicContact CG2-CG2 3.96Å; T234-C236 PolarHBondContact OG1-O 2.75Å; T234-D239 HydrophobicContact CG2-CB 3.85Å; T234-A240 HydrophobicContact CG2-CB 4.32Å; T234-A240 WeakPolarHBondContact OG1-CB 3.39Å; T234-A240 PolarHBondContact OG1-N 3.3Å
235R97.4Very high97.1Very high47 Ų4713.2 Ų13.218%0.1778%0.081CC..SBendtrans-86.6-19.5174.3-68.9-174-63.8-82-1.4113.5L2 R4 V179 F182 C184 L205L2-R235 PolarHBondContact O-NH2 3.28Å; R4-R235 PolarHBondContact O-NH2 3.07Å; V179-R235 HydrophobicContact CG1-CG 3.88Å; V179-R235 PolarHBondContact O-NH1 2.93Å; F182-R235 VanDerWaalsContact CE1-CD 3.48Å; C184-R235 PolarHBondContact O-NH1 2.83Å; L205-R235 HydrophobicContact CD2-CG 3.81Å
236C96.8Very high97.1Very high17 Ų1711.7 Ų11.712%0.1158%0.076CC..SBendtrans-142.9163.2175.472.60000113.2T234 D239 A240 E495T234-C236 PolarHBondContact OG1-O 2.75Å; C236-D239 PolarHBondContact O-N 2.72Å; C236-D239 PolarHBondContact SG-OD1 2.85Å; C236-D239 PolarHBondContact SG-OD2 3.08Å; C236-D239 VanDerWaalsContact SG-OD2 3.34Å; C236-A240 PolarHBondContact O-N 3.47Å; C236-E495 WeakPolarHBondContact CA-OE1 3.22Å
237V97.2Very high97.1Very high0 Ų010.5 Ų10.50%07%0.068CC..Hα-helixtrans-67.4-38-176.8176.90000112.5V206 D239 A240 A241 L268 I462 L488 A491 K492 E495V206-V237 HydrophobicContact CG1-CG2 4.16Å; V206-V237 HydrophobicContact CG2-CG2 4.04Å; V237-D239 VanDerWaalsContact C-N 3.3Å; V237-D239 PolarHBondContact O-N 3.03Å; V237-A240 WeakPolarHBondContact O-CB 3.47Å; V237-A240 PolarHBondContact O-N 3.49Å; V237-A240 VanDerWaalsContact O-N 3.16Å; V237-A241 PolarHBondContact O-N 3.2Å; V237-L268 HydrophobicContact CG1-CD1 3.92Å; V237-I462 HydrophobicContact CG2-CD1 3.41Å; V237-I462 VanDerWaalsContact CG2-CD1 3.41Å; V237-L488 HydrophobicContact CG1-CB 4.16Å; V237-L488 HydrophobicContact CG1-CD2 3.98Å; V237-L488 VanDerWaalsContact CG1-O 3.31Å; V237-L488 WeakPolarHBondContact CG1-O 3.43Å; V237-A491 HydrophobicContact CG1-CB 4.27Å; V237-A491 HydrophobicContact CG2-CB 4.07Å; V237-K492 HydrophobicContact CB-CB 4.16Å; V237-K492 HydrophobicContact CG1-CB 3.81Å; V237-E495 HydrophobicContact CG2-CB 4.22Å; V237-E495 PolarHBondContact N-OE1 3.04Å; V237-E495 PolarHBondContact N-OE2 2.9Å
238D95.5Very high96.9Very high34 Ų3411.8 Ų11.818%0.1828%0.079CC..Hα-helixtrans-61.2-40.7177.7-81.7-41.1000111.4A240 A241 I242 K492D238-A240 VanDerWaalsContact C-N 3.34Å; D238-A240 PolarHBondContact O-N 2.77Å; D238-A241 WeakPolarHBondContact O-CB 3.24Å; D238-A241 PolarHBondContact O-N 2.88Å; D238-I242 WeakPolarHBondContact O-CG1 3.49Å; D238-I242 PolarHBondContact O-N 3.47Å; D238-K492 VanDerWaalsContact CG-NZ 3.3Å; D238-K492 WeakPolarHBondContact OD1-CD 3.38Å; D238-K492 WeakPolarHBondContact OD1-CE 3.33Å; D238-K492 IonicContact OD1-NZ 3.93Å; D238-K492 PolarHBondContact OD1-NZ 3.13Å; D238-K492 WeakPolarHBondContact OD2-CE 3.29Å; D238-K492 IonicContact OD2-NZ 3.44Å; D238-K492 PolarHBondContact OD2-NZ 3.15Å; D238-K492 VanDerWaalsContact OD2-NZ 3.1Å
239D96.8Very high96.5Very high1 Ų112.4 Ų12.41%0.0059%0.085CC..Hα-helixtrans-65.1-38.7175.8-66.2-8.9000111.4L6 Q7 T234 C236 V237 A241 I242 V243L6-D239 HydrophobicContact CB-CB 4.03Å; L6-D239 WeakPolarHBondContact CB-OD1 3.22Å; L6-D239 VanDerWaalsContact N-CG 3.29Å; L6-D239 PolarHBondContact N-OD1 3.35Å; L6-D239 PolarHBondContact N-OD2 3.4Å; Q7-D239 PolarHBondContact N-OD1 3.48Å; T234-D239 HydrophobicContact CG2-CB 3.85Å; C236-D239 PolarHBondContact O-N 2.72Å; C236-D239 PolarHBondContact SG-OD1 2.85Å; C236-D239 PolarHBondContact SG-OD2 3.08Å; C236-D239 VanDerWaalsContact SG-OD2 3.34Å; V237-D239 VanDerWaalsContact C-N 3.3Å; V237-D239 PolarHBondContact O-N 3.03Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 2.99Å; D239-I242 PolarHBondContact O-N 2.85Å; D239-V243 WeakPolarHBondContact O-CG2 3.25Å; D239-V243 PolarHBondContact O-N 3.34Å; D239-V243 VanDerWaalsContact O-N 3.09Å
240A97.4Very high96.2Very high0 Ų014.8 Ų14.80%010%0.101CC..Hα-helixtrans-63.6-38176.200000111.6V206 F208 I232 T234 C236 V237 D238 V243 L244V206-A240 HydrophobicContact CG1-CB 4.22Å; F208-A240 HydrophobicContact CB-CB 4.44Å; I232-A240 HydrophobicContact CG2-CB 4.15Å; T234-A240 HydrophobicContact CG2-CB 4.32Å; T234-A240 WeakPolarHBondContact OG1-CB 3.39Å; T234-A240 PolarHBondContact OG1-N 3.3Å; C236-A240 PolarHBondContact O-N 3.47Å; V237-A240 WeakPolarHBondContact O-CB 3.47Å; V237-A240 PolarHBondContact O-N 3.49Å; V237-A240 VanDerWaalsContact O-N 3.16Å; D238-A240 VanDerWaalsContact C-N 3.34Å; D238-A240 PolarHBondContact O-N 2.77Å; A240-V243 PolarHBondContact O-N 3.23Å; A240-L244 WeakPolarHBondContact O-CB 3.33Å; A240-L244 PolarHBondContact O-N 2.88Å
241A96.1Very high96Very high5 Ų515.4 Ų15.44%0.04110%0.104CC..Hα-helixtrans-66.8-41176.500000112.8V237 D238 D239 V243 L244 G245 F266 L268 L488V237-A241 PolarHBondContact O-N 3.2Å; D238-A241 WeakPolarHBondContact O-CB 3.24Å; D238-A241 PolarHBondContact O-N 2.88Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 2.99Å; A241-V243 VanDerWaalsContact C-N 3.35Å; A241-L244 PolarHBondContact O-N 3.34Å; A241-G245 PolarHBondContact O-N 2.9Å; A241-F266 HydrophobicContact CB-CD1 4Å; A241-F266 HydrophobicContact CB-CE1 3.65Å; A241-F266 WeakPolarHBondContact O-CD1 3.31Å; A241-L268 HydrophobicContact CB-CD1 3.59Å; A241-L268 HydrophobicContact CB-CD2 4.31Å; A241-L268 HydrophobicContact CB-CG 3.67Å; A241-L488 HydrophobicContact CB-CD1 4.29Å
242I95.5Very high95.9Very high37 Ų3721.8 Ų21.819%0.1915%0.145CC..Hα-helixtrans-60.2-47.2175.1-68.3166.6000110.1L6 Q7 D67 L68 D238 D239 G245 A246L6-I242 HydrophobicContact CD2-CD1 3.97Å; L6-I242 HydrophobicContact CD2-CG2 3.96Å; Q7-I242 HydrophobicContact CB-CD1 4.11Å; D67-I242 HydrophobicContact CB-CG2 4.08Å; L68-I242 HydrophobicContact CD2-CG2 4.04Å; L68-I242 HydrophobicContact CG-CG2 4.23Å; D238-I242 WeakPolarHBondContact O-CG1 3.49Å; D238-I242 PolarHBondContact O-N 3.47Å; D239-I242 PolarHBondContact O-N 2.85Å; I242-G245 PolarHBondContact O-N 3.4Å; I242-A246 PolarHBondContact O-N 2.88Å
243V97.3Very high95.9Very high3 Ų328.2 Ų28.22%0.01817%0.174CC..Hα-helixtrans-64.3-44.5177.91770000110.8L6 L68 L108 A186 I232 D239 A240 A241 G245 A246 L247L6-V243 HydrophobicContact CD1-CG2 4.43Å; L68-V243 HydrophobicContact CD2-CG2 4.4Å; L108-V243 HydrophobicContact CD2-CG1 4.46Å; A186-V243 HydrophobicContact CB-CG2 3.69Å; I232-V243 HydrophobicContact CD1-CB 4.31Å; I232-V243 HydrophobicContact CD1-CG1 3.92Å; I232-V243 HydrophobicContact CG1-CG1 3.93Å; I232-V243 HydrophobicContact CG2-CB 3.97Å; I232-V243 HydrophobicContact CG2-CG1 3.89Å; D239-V243 WeakPolarHBondContact O-CG2 3.25Å; D239-V243 PolarHBondContact O-N 3.34Å; D239-V243 VanDerWaalsContact O-N 3.09Å; A240-V243 PolarHBondContact O-N 3.23Å; A241-V243 VanDerWaalsContact C-N 3.35Å; V243-G245 VanDerWaalsContact C-N 3.29Å; V243-G245 PolarHBondContact O-N 3.46Å; V243-A246 PolarHBondContact O-N 2.95Å; V243-A246 VanDerWaalsContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.95Å; V243-L247 VanDerWaalsContact O-N 3.14Å
244L96.4Very high95.8Very high0 Ų028.8 Ų28.80%018%0.176CC..Hα-helixtrans-57.9-43.5176.3178.963.7000111.4F208 P210 L214 V215 I232 A240 A241 A246 L247 A248 F266 D484 L488F208-L244 HydrophobicContact CE1-CB 4.33Å; F208-L244 HydrophobicContact CE1-CD1 4.1Å; F208-L244 HydrophobicContact CE1-CD2 3.53Å; F208-L244 HydrophobicContact CE1-CG 4.16Å; F208-L244 HydrophobicContact CZ-CD2 4.04Å; P210-L244 HydrophobicContact CB-CD1 4.21Å; P210-L244 HydrophobicContact CG-CD1 3.91Å; L214-L244 HydrophobicContact CD2-CD1 4.15Å; L214-L244 HydrophobicContact CD2-CD2 4.36Å; V215-L244 HydrophobicContact CG2-CD1 3.86Å; I232-L244 HydrophobicContact CD1-CB 3.85Å; I232-L244 HydrophobicContact CD1-CD1 4.3Å; A240-L244 WeakPolarHBondContact O-CB 3.33Å; A240-L244 PolarHBondContact O-N 2.88Å; A241-L244 PolarHBondContact O-N 3.34Å; L244-A246 PolarHBondContact O-N 2.82Å; L244-L247 PolarHBondContact O-N 2.84Å; L244-A248 HydrophobicContact CD1-CB 4.08Å; L244-A248 HydrophobicContact CG-CB 4.35Å; L244-A248 VanDerWaalsContact O-CB 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.46Å; L244-F266 HydrophobicContact CD2-CD1 4.42Å; L244-F266 HydrophobicContact CD2-CD2 4.13Å; L244-F266 HydrophobicContact CD2-CE1 3.82Å; L244-F266 HydrophobicContact CD2-CE2 3.48Å; L244-F266 VanDerWaalsContact CD2-CE2 3.48Å; L244-F266 HydrophobicContact CD2-CZ 3.31Å; L244-F266 HydrophobicContact CG-CE2 4.46Å; L244-F266 HydrophobicContact CG-CZ 4.39Å; L244-D484 HydrophobicContact CD2-CB 4.11Å; L244-L488 HydrophobicContact CD2-CD1 4.15Å
245G94.1Very high95.7Very high44 Ų4434.8 Ų34.845%0.45422%0.219SC..Hα-helixtrans-57.7-33.6178.400000113.4A241 I242 V243A241-G245 PolarHBondContact O-N 2.9Å; I242-G245 PolarHBondContact O-N 3.4Å; V243-G245 VanDerWaalsContact C-N 3.29Å; V243-G245 PolarHBondContact O-N 3.46Å
246A94.6Very high95.7Very high21 Ų2134.6 Ų34.617%0.17422%0.223CC..Hα-helixtrans-76-32.1174.300000113.3L68 K107 Q111 I242 V243 L244L68-A246 HydrophobicContact CD1-CB 3.56Å; K107-A246 WeakPolarHBondContact CD-O 3.18Å; Q111-A246 HydrophobicContact CG-CB 4.06Å; I242-A246 PolarHBondContact O-N 2.88Å; V243-A246 PolarHBondContact O-N 2.95Å; V243-A246 VanDerWaalsContact O-N 3.14Å; L244-A246 PolarHBondContact O-N 2.82Å
247L95.3Very high95.6Very high2 Ų234.9 Ų34.91%0.0122%0.224CC..Hα-helixtrans-92.2-33.5-171.8-63.5-178.3000114.2V104 K107 L108 L188 V215 I232 V243 L244V104-L247 HydrophobicContact CB-CD2 3.88Å; V104-L247 HydrophobicContact CG1-CD2 4.27Å; V104-L247 VanDerWaalsContact O-CD2 3.3Å; V104-L247 WeakPolarHBondContact O-CD2 3.43Å; K107-L247 HydrophobicContact CB-CD2 4.28Å; K107-L247 WeakPolarHBondContact CD-O 3.15Å; K107-L247 PolarHBondContact NZ-O 2.81Å; L108-L247 HydrophobicContact CD1-CD2 4.48Å; L108-L247 HydrophobicContact CD2-CD2 4.05Å; L108-L247 HydrophobicContact CG-CD2 3.86Å; L188-L247 HydrophobicContact CD2-CD1 3.62Å; V215-L247 HydrophobicContact CG1-CB 4.03Å; V215-L247 HydrophobicContact CG2-CB 4.31Å; I232-L247 HydrophobicContact CD1-CD1 4.07Å; I232-L247 HydrophobicContact CG1-CD1 4.09Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.95Å; V243-L247 VanDerWaalsContact O-N 3.14Å; L244-L247 PolarHBondContact O-N 2.84Å
248A93.8Very high95.3Very high28 Ų2837.8 Ų37.823%0.23124%0.242CC..BIsolated β-bridgetrans-62.9157.5-171.400000112.7K107 L214 L244K107-A248 PolarHBondContact NZ-O 2.93Å; L214-A248 HydrophobicContact CD1-CB 4.05Å; L214-A248 HydrophobicContact CG-CB 4.12Å; L244-A248 HydrophobicContact CD1-CB 4.08Å; L244-A248 HydrophobicContact CG-CB 4.35Å; L244-A248 VanDerWaalsContact O-CB 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.46Å
249G89.6Confident94.4Very high15 Ų1542.6 Ų42.616%0.15526%0.263CS..SBendtrans107.6169.3172.100000114.1L214L214-G249 PolarHBondContact O-N 3.15Å
250P91.9Very high92.9Very high55 Ų5544.1 Ų44.136%0.35727%0.271SS..  trans-61149.9-171.529.9-39.7000111.9H259P250-H259 VanDerWaalsContact CG-CE1 3.43Å; P250-H259 WeakPolarHBondContact CG-CE1 3.39Å
251D95.8Very high90.7Very high13 Ų1349.6 Ų49.67%0.0731%0.306CS..  trans-134.4118.2171.4176.99.8000109.6T103 S216 H218 K253 D254 T257T103-D251 WeakPolarHBondContact CB-OD2 2.8Å; T103-D251 HydrophobicContact CG2-CB 4.21Å; T103-D251 VanDerWaalsContact CG2-OD2 3.27Å; T103-D251 WeakPolarHBondContact CG2-OD2 3.49Å; T103-D251 PolarHBondContact OG1-OD2 3.4Å; S216-D251 VanDerWaalsContact CB-OD2 3.3Å; S216-D251 WeakPolarHBondContact CB-OD2 3.46Å; S216-D251 PolarHBondContact OG-OD2 3.02Å; H218-D251 WeakPolarHBondContact CB-OD2 3.38Å; D251-K253 PolarHBondContact O-N 3.46Å; D251-K253 WeakPolarHBondContact OD1-CB 3.42Å; D251-K253 PolarHBondContact OD1-N 3.41Å; D251-D254 HydrophobicContact CB-CB 4.37Å; D251-D254 CarbonylContact O-C 3.53Å; D251-D254 PolarHBondContact O-N 2.91Å; D251-D254 VanDerWaalsContact O-O 3.07Å; D251-T257 HydrophobicContact CB-CG2 4.09Å; D251-T257 PolarHBondContact N-OG1 3.44Å; D251-T257 PolarHBondContact O-OG1 3.04Å
252P96.1Very high88.6Confident134 Ų13453.6 Ų53.687%0.8733%0.326SS*.THydrogen-bonded Turntrans-61.5-16.9177.826.8-35.8000113.6D254P252-D254 VanDerWaalsContact C-N 3.34Å
253K97.9Very high86.4Confident137 Ų13758.8 Ų58.860%0.59635%0.354SS*.THydrogen-bonded Turntrans-85.9-5.1175.8-54.2179-176.4174.50113.4H218 D251H218-K253 HydrophobicContact CB-CB 3.96Å; D251-K253 PolarHBondContact O-N 3.46Å; D251-K253 WeakPolarHBondContact OD1-CB 3.42Å; D251-K253 PolarHBondContact OD1-N 3.41Å
254D97.9Very high84.4Confident11 Ų1165.9 Ų65.96%0.05939%0.385CS..  trans-132100.2176.9-178.7-0.5000110.8S216 R217 H218 D251 P252 T256 T257S216-D254 WeakPolarHBondContact OG-CB 3.48Å; R217-D254 WeakPolarHBondContact CB-OD2 3.25Å; R217-D254 PolarHBondContact N-OD2 2.92Å; R217-D254 IonicContact NE-OD2 3.58Å; R217-D254 IonicContact NH2-OD1 2.89Å; H218-D254 HydrophobicContact CB-CB 4.23Å; D251-D254 HydrophobicContact CB-CB 4.37Å; D251-D254 CarbonylContact O-C 3.53Å; D251-D254 PolarHBondContact O-N 2.91Å; D251-D254 VanDerWaalsContact O-O 3.07Å; P252-D254 VanDerWaalsContact C-N 3.34Å; D254-T256 PolarHBondContact O-N 2.97Å; D254-T256 WeakPolarHBondContact OD1-CA 3.46Å; D254-T256 WeakPolarHBondContact OD1-CB 3.37Å; D254-T256 PolarHBondContact OD1-N 3.27Å; D254-T256 PolarHBondContact OD1-OG1 3.39Å; D254-T256 PolarHBondContact OD2-OG1 3.33Å; D254-T257 HydrophobicContact CB-CG2 3.92Å; D254-T257 PolarHBondContact O-N 3.46Å; D254-T257 PolarHBondContact O-OG1 2.8Å
255S97.1Very high82.8Confident127 Ų12771.1 Ų71.189%0.88842%0.419SS*.THydrogen-bonded Turntrans-62.9-8.5178.6-48.90000114.7
256T96.8Very high81.8Confident43 Ų4371.1 Ų71.126%0.26441%0.407SS..THydrogen-bonded Turntrans-95.2-6.417667.60000113.5G213 R217 D254G213-T256 WeakPolarHBondContact CA-O 3.45Å; R217-T256 PolarHBondContact NE-OG1 2.93Å; R217-T256 VanDerWaalsContact NE-OG1 3.08Å; R217-T256 PolarHBondContact NH2-OG1 2.84Å; D254-T256 PolarHBondContact O-N 2.97Å; D254-T256 WeakPolarHBondContact OD1-CA 3.46Å; D254-T256 WeakPolarHBondContact OD1-CB 3.37Å; D254-T256 PolarHBondContact OD1-N 3.27Å; D254-T256 PolarHBondContact OD1-OG1 3.39Å; D254-T256 PolarHBondContact OD2-OG1 3.33Å
257T95.1Very high81Confident22 Ų2276.6 Ų76.614%0.13543%0.43CS..  trans-66.9136.9170.757.40000110.4G213 D251 D254G213-T257 CarbonylContact O-C 3.56Å; G213-T257 VanDerWaalsContact O-CA 3.28Å; G213-T257 WeakPolarHBondContact O-CA 3.47Å; D251-T257 HydrophobicContact CB-CG2 4.09Å; D251-T257 PolarHBondContact N-OG1 3.44Å; D251-T257 PolarHBondContact O-OG1 3.04Å; D254-T257 HydrophobicContact CB-CG2 3.92Å; D254-T257 PolarHBondContact O-N 3.46Å; D254-T257 PolarHBondContact O-OG1 2.8Å
258V90Very high80.6Confident62 Ų6277.4 Ų77.438%0.37644%0.435SS..  trans-105.6133.2179.5-179.40000107.5G213 D260 F482G213-V258 PolarHBondContact O-N 3.5Å; V258-D260 PolarHBondContact O-N 3.4Å; V258-F482 HydrophobicContact CB-CE1 3.97Å; V258-F482 HydrophobicContact CB-CZ 3.75Å; V258-F482 HydrophobicContact CG1-CE1 4.32Å; V258-F482 HydrophobicContact CG1-CZ 3.99Å; V258-F482 HydrophobicContact CG2-CZ 3.89Å
259H76.4Confident80.3Confident135 Ų13578.7 Ų78.763%0.62544%0.441SS*.  trans-64108.6165.6-83.8-77.6000108.2P250 P261P250-H259 VanDerWaalsContact CG-CE1 3.43Å; P250-H259 WeakPolarHBondContact CG-CE1 3.39Å; H259-P261 VanDerWaalsContact O-CD 3.23Å; H259-P261 WeakPolarHBondContact O-CD 3.39Å
260D66.4Low79.9Confident32 Ų3282.5 Ų82.517%0.17147%0.465CS..  trans-62.3117.4170.1-172-12.2000108.1L214 V258 I262L214-D260 HydrophobicContact CD1-CB 4.31Å; V258-D260 PolarHBondContact O-N 3.4Å; D260-I262 PolarHBondContact O-N 3.43Å; D260-I262 VanDerWaalsContact O-N 3.13Å; D260-I262 WeakPolarHBondContact OD1-CB 3.08Å; D260-I262 PolarHBondContact OD1-N 3.14Å
261P51.1Low79.2Confident116 Ų11686.9 Ų86.975%0.75348%0.484SS*.SBendtrans-62.6-16.517725.2-33.1000112.2H259 N263H259-P261 VanDerWaalsContact O-CD 3.23Å; H259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-N263 VanDerWaalsContact C-N 3.35Å; P261-N263 PolarHBondContact O-N 3.33Å
262I52.2Low78.7Confident88 Ų8887.4 Ų87.445%0.45149%0.49SS..  trans-92.468.4176.5-46.8177.7000108.8D260 K264D260-I262 PolarHBondContact O-N 3.43Å; D260-I262 VanDerWaalsContact O-N 3.13Å; D260-I262 WeakPolarHBondContact OD1-CB 3.08Å; D260-I262 PolarHBondContact OD1-N 3.14Å; I262-K264 HydrophobicContact CG2-CB 4.27Å; I262-K264 HydrophobicContact CG2-CD 4.06Å; I262-K264 HydrophobicContact CG2-CG 4.05Å; I262-K264 PolarHBondContact O-N 2.93Å
263N48.1Very low78.3Confident146 Ų14685.9 Ų85.978%0.78148%0.475SS*.  trans-65.168.2168.9-90.1-28.8000111.1P261P261-N263 VanDerWaalsContact C-N 3.35Å; P261-N263 PolarHBondContact O-N 3.33Å
264K56.2Low78.2Confident152 Ų15279.6 Ų79.666%0.66145%0.448SS*.  trans-119.6148174.8-69.4-173.7-179.2178.40110.2I262 F266I262-K264 HydrophobicContact CG2-CB 4.27Å; I262-K264 HydrophobicContact CG2-CD 4.06Å; I262-K264 HydrophobicContact CG2-CG 4.05Å; I262-K264 PolarHBondContact O-N 2.93Å; K264-F266 PolarHBondContact O-N 3.4Å
265P61.9Low78Confident111 Ų11181.5 Ų81.572%0.72146%0.462SS*.  trans-53.2126.6166.8-21.131.4000109.6M267P265-M267 HydrophobicContact CB-CG 4.37Å; P265-M267 PolarHBondContact O-N 3.08Å
266F73.1Confident77.9Confident44 Ų4483.9 Ų83.919%0.19346%0.457CS..  trans-72.896-178.9-160.8-89.3000109.6A241 L244 K264 L268 D484 Q485 L488A241-F266 HydrophobicContact CB-CD1 4Å; A241-F266 HydrophobicContact CB-CE1 3.65Å; A241-F266 WeakPolarHBondContact O-CD1 3.31Å; L244-F266 HydrophobicContact CD2-CD1 4.42Å; L244-F266 HydrophobicContact CD2-CD2 4.13Å; L244-F266 HydrophobicContact CD2-CE1 3.82Å; L244-F266 HydrophobicContact CD2-CE2 3.48Å; L244-F266 VanDerWaalsContact CD2-CE2 3.48Å; L244-F266 HydrophobicContact CD2-CZ 3.31Å; L244-F266 HydrophobicContact CG-CE2 4.46Å; L244-F266 HydrophobicContact CG-CZ 4.39Å; K264-F266 PolarHBondContact O-N 3.4Å; F266-L268 HydrophobicContact CE1-CD2 4.15Å; F266-D484 HydrophobicContact CE2-CB 4.4Å; F266-Q485 HydrophobicContact CD2-CB 4.22Å; F266-Q485 HydrophobicContact CE2-CB 3.52Å; F266-Q485 HydrophobicContact CE2-CG 4.13Å; F266-Q485 VanDerWaalsContact CZ-CA 3.46Å; F266-Q485 HydrophobicContact CZ-CB 3.81Å; F266-Q485 HydrophobicContact CZ-CG 4.2Å; F266-L488 HydrophobicContact CE1-CD1 3.83Å; F266-L488 HydrophobicContact CZ-CD1 3.79Å
267M77.6Confident77.9Confident135 Ų13582.9 Ų82.967%0.66545%0.449SS*.  trans-129.2120-178.2-67.6-62.4-63.800110.2P265 Q485P265-M267 HydrophobicContact CB-CG 4.37Å; P265-M267 PolarHBondContact O-N 3.08Å; M267-Q485 PolarHBondContact O-NE2 3.35Å
268L87.8Confident78.1Confident20 Ų2082.2 Ų82.211%0.10545%0.446CS..  trans-76.5136.9172.4-59.3-172000109.8V237 A241 F266 Q485 L488 K492V237-L268 HydrophobicContact CG1-CD1 3.92Å; A241-L268 HydrophobicContact CB-CD1 3.59Å; A241-L268 HydrophobicContact CB-CD2 4.31Å; A241-L268 HydrophobicContact CB-CG 3.67Å; F266-L268 HydrophobicContact CE1-CD2 4.15Å; L268-Q485 HydrophobicContact CD2-CG 4.15Å; L268-L488 HydrophobicContact CD1-CB 4.1Å; L268-L488 HydrophobicContact CD2-CB 3.82Å; L268-K492 HydrophobicContact CB-CD 4.07Å; L268-K492 HydrophobicContact CD1-CB 4.3Å; L268-K492 HydrophobicContact CD1-CD 3.99Å
269P87.2Confident78.5Confident55 Ų5579.3 Ų79.336%0.35743%0.428SS..  trans-64.2154.3175.330.5-35.1000110.7L271 T489 K492P269-L271 VanDerWaalsContact C-N 3.35Å; P269-L271 WeakPolarHBondContact CB-O 3.34Å; P269-T489 WeakPolarHBondContact CD-OG1 3.42Å; P269-T489 HydrophobicContact CG-CG2 3.47Å; P269-T489 VanDerWaalsContact CG-CG2 3.47Å; P269-K492 PolarHBondContact O-NZ 2.87Å; P269-K492 VanDerWaalsContact O-NZ 3.11Å
270S80.6Confident79.5Confident95 Ų9572.9 Ų72.966%0.66440%0.398SS*.SBendtrans-68.9-36.8178.254.20000112.1K496S270-K496 PolarHBondContact O-NZ 2.79Å; S270-K496 VanDerWaalsContact O-NZ 3.12Å
271L78.3Confident81.1Confident146 Ų14672.9 Ų72.976%0.76440%0.398SS*.SBendtrans-121.9137.6174.8-66.6169.7000109.1P269P269-L271 VanDerWaalsContact C-N 3.35Å; P269-L271 WeakPolarHBondContact CB-O 3.34Å
272A84.6Confident83.3Confident24 Ų2467.3 Ų67.320%0.19836%0.362CS..  trans-119.5125.317500000108.2T489 W493A272-T489 HydrophobicContact CB-CG2 3.57Å; A272-W493 HydrophobicContact CB-CB 3.98Å; A272-W493 VanDerWaalsContact O-CD1 3.29Å
273D88.6Confident85.5Confident103 Ų10367.9 Ų67.955%0.55136%0.361SS*.  trans-90.5113.7173.1175.213.6000108.6S275D273-S275 VanDerWaalsContact OD1-CB 3.25Å; D273-S275 WeakPolarHBondContact OD1-CB 3.02Å; D273-S275 PolarHBondContact OD1-N 3.05Å; D273-S275 PolarHBondContact OD1-OG 3.03Å; D273-S275 PolarHBondContact OD2-OG 3.16Å
274V94.9Very high87.9Confident4 Ų463.1 Ų63.12%0.02433%0.334CS..  trans-93.5-7.8179.3-60.80000113.1K276 L277 F305 E308 A310 W493V274-K276 PolarHBondContact O-N 3.33Å; V274-L277 HydrophobicContact CB-CD1 3.87Å; V274-L277 HydrophobicContact CG1-CD1 3.85Å; V274-L277 WeakPolarHBondContact O-CB 3.35Å; V274-L277 PolarHBondContact O-N 3.12Å; V274-F305 HydrophobicContact CB-CD1 4.31Å; V274-F305 HydrophobicContact CB-CE1 4.37Å; V274-F305 HydrophobicContact CG1-CE1 4.13Å; V274-F305 HydrophobicContact CG2-CD1 4.45Å; V274-E308 HydrophobicContact CG2-CB 3.81Å; V274-A310 VanDerWaalsContact O-CB 3.26Å; V274-A310 WeakPolarHBondContact O-CB 3.31Å; V274-W493 HydrophobicContact CB-CD2 4.41Å; V274-W493 HydrophobicContact CG1-CB 4.15Å; V274-W493 HydrophobicContact CG1-CD2 3.43Å; V274-W493 VanDerWaalsContact CG1-CD2 3.43Å; V274-W493 HydrophobicContact CG1-CE3 3.73Å; V274-W493 HydrophobicContact CG1-CG 3.6Å; V274-W493 HydrophobicContact CG1-CZ2 4.37Å; V274-W493 HydrophobicContact CG1-CZ3 4.32Å; V274-W493 HydrophobicContact CG2-CD2 4.12Å; V274-W493 HydrophobicContact CG2-CE3 4.42Å; V274-W493 HydrophobicContact CG2-CH2 3.83Å; V274-W493 HydrophobicContact CG2-CZ2 3.46Å; V274-W493 VanDerWaalsContact CG2-CZ2 3.46Å; V274-W493 HydrophobicContact CG2-CZ3 4.3Å
275S95Very high89.9Confident51 Ų5156 Ų5636%0.35730%0.303SS..THydrogen-bonded Turntrans-62.7-20.4-172.567.20000113.9D273 G309D273-S275 VanDerWaalsContact OD1-CB 3.25Å; D273-S275 WeakPolarHBondContact OD1-CB 3.02Å; D273-S275 PolarHBondContact OD1-N 3.05Å; D273-S275 PolarHBondContact OD1-OG 3.03Å; D273-S275 PolarHBondContact OD2-OG 3.16Å; S275-G309 CarbonylContact O-C 3.43Å
276K93.8Very high91.5Very high178 Ų17854.7 Ų54.777%0.77429%0.289SS*.THydrogen-bonded Turntrans-97.7-1.4178.5-62-179.3-174.5171.60113.8V274V274-K276 PolarHBondContact O-N 3.33Å
277L96.9Very high92.6Very high21 Ų2154.3 Ų54.311%0.1129%0.289CS..  trans-83.3148.1-177.2-61.5176.4000111.3V274 I279 K311 D416 V490V274-L277 HydrophobicContact CB-CD1 3.87Å; V274-L277 HydrophobicContact CG1-CD1 3.85Å; V274-L277 WeakPolarHBondContact O-CB 3.35Å; V274-L277 PolarHBondContact O-N 3.12Å; L277-I279 HydrophobicContact CB-CD1 4.2Å; L277-K311 PolarHBondContact O-N 3.3Å; L277-D416 WeakPolarHBondContact CA-OD2 3.42Å; L277-D416 HydrophobicContact CD2-CB 4.13Å; L277-V490 HydrophobicContact CD1-CG1 4.34Å; L277-V490 HydrophobicContact CD1-CG2 3.48Å; L277-V490 VanDerWaalsContact CD1-CG2 3.48Å
278C98.4Very high93.4Very high9 Ų954 Ų546%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-107.1111.5165.1-172.40000110.1K311 L313 G414 D416 V417C278-K311 CarbonylContact C-O 3.58Å; C278-K311 VanDerWaalsContact CA-O 3.31Å; C278-K311 WeakPolarHBondContact CA-O 3.41Å; C278-K311 HydrophobicContact CB-CB 4.44Å; C278-L313 VanDerWaalsContact SG-CD1 3.59Å; C278-G414 WeakPolarHBondContact CB-O 3.33Å; C278-D416 PolarHBondContact N-OD2 3.31Å; C278-D416 PolarHBondContact O-N 2.92Å; C278-V417 PolarHBondContact O-N 2.88Å
279I98.7Very high93.8Very high0 Ų058.9 Ų58.90%032%0.32CS..EExtended strand (participates in β ladder)trans-93.1122.6176.9-50.3-56.8000109.3L277 I281 F305 A310 K311 V312 L313 V417 L419L277-I279 HydrophobicContact CB-CD1 4.2Å; I279-I281 HydrophobicContact CG2-CD1 4.25Å; I279-F305 HydrophobicContact CD1-CD1 3.97Å; I279-F305 HydrophobicContact CD1-CE1 4.01Å; I279-F305 HydrophobicContact CD1-CG 4.39Å; I279-F305 HydrophobicContact CD1-CZ 4.48Å; I279-F305 HydrophobicContact CG1-CB 4.06Å; I279-F305 HydrophobicContact CG1-CD1 3.79Å; I279-F305 HydrophobicContact CG1-CD2 4.35Å; I279-F305 HydrophobicContact CG1-CE1 4.31Å; I279-F305 HydrophobicContact CG1-CG 3.81Å; I279-A310 HydrophobicContact CG1-CB 4.37Å; I279-K311 PolarHBondContact N-O 3.08Å; I279-V312 HydrophobicContact CB-CG2 4.38Å; I279-V312 WeakPolarHBondContact O-CA 3.42Å; I279-L313 PolarHBondContact O-N 2.94Å; I279-V417 WeakPolarHBondContact CA-O 3.48Å; I279-V417 HydrophobicContact CD1-CB 4.33Å; I279-L419 HydrophobicContact CG2-CB 3.67Å; I279-L419 HydrophobicContact CG2-CD2 4.45Å
280G98.8Very high94.3Very high0 Ų056.9 Ų56.90%031%0.306CS..EExtended strand (participates in β ladder)trans-94.7136.7175.500000112.2L313 V417 L418 L419G280-L313 CarbonylContact C-O 3.58Å; G280-L313 WeakPolarHBondContact CA-O 3.38Å; G280-V417 PolarHBondContact N-O 2.87Å; G280-L418 WeakPolarHBondContact O-CA 3.08Å; G280-L419 PolarHBondContact O-N 2.79Å
281I98.7Very high95.1Very high32 Ų3253.7 Ų53.716%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-115.1103.8177.6-53.6-59.3000108I279 K283 W298 A302 V312 L313 E314 V315 L419I279-I281 HydrophobicContact CG2-CD1 4.25Å; I281-K283 PolarHBondContact O-N 3.4Å; I281-W298 HydrophobicContact CG2-CH2 4.07Å; I281-W298 HydrophobicContact CG2-CZ2 3.47Å; I281-W298 VanDerWaalsContact CG2-CZ2 3.47Å; I281-A302 HydrophobicContact CD1-CB 4.03Å; I281-A302 HydrophobicContact CG1-CB 4.49Å; I281-V312 HydrophobicContact CD1-CG1 4.27Å; I281-V312 HydrophobicContact CG1-CG1 3.72Å; I281-L313 PolarHBondContact N-O 3.28Å; I281-E314 WeakPolarHBondContact O-CA 3.41Å; I281-V315 PolarHBondContact O-N 2.83Å; I281-L419 HydrophobicContact CD1-CB 3.89Å; I281-L419 HydrophobicContact CD1-CD2 4.07Å; I281-L419 HydrophobicContact CD1-CG 4.21Å
282P98.3Very high96Very high0 Ų051.4 Ų51.40%028%0.28CS..EExtended strand (participates in β ladder)trans-68117.1-179.5-21.233.9000111.7E284 Y285 W298 V315 L317 L418 T420P282-E284 PolarHBondContact O-N 2.81Å; P282-Y285 HydrophobicContact CB-CD1 3.85Å; P282-Y285 HydrophobicContact CB-CE1 4.29Å; P282-Y285 HydrophobicContact CB-CG 4.19Å; P282-Y285 PolarHBondContact O-N 3.35Å; P282-W298 WeakPolarHBondContact O-CH2 3.43Å; P282-V315 HydrophobicContact CB-CG2 4.3Å; P282-V315 HydrophobicContact CG-CG2 4.07Å; P282-L317 HydrophobicContact CB-CD1 3.79Å; P282-L317 HydrophobicContact CB-CG 4.1Å; P282-L317 HydrophobicContact CG-CD1 3.75Å; P282-L317 HydrophobicContact CG-CG 4.38Å; P282-L418 HydrophobicContact CG-CD2 4.31Å; P282-T420 HydrophobicContact CG-CG2 3.93Å
283K97.8Very high96.6Very high100 Ų10052.4 Ų52.444%0.43528%0.28SS..G310 helixtrans-64.6-29.4-178.366.9-173.6178.6-173.10113.4I281 Y285 L286 E314 V315 S316I281-K283 PolarHBondContact O-N 3.4Å; K283-Y285 PolarHBondContact O-N 2.75Å; K283-L286 PolarHBondContact O-N 2.8Å; K283-E314 HydrophobicContact CB-CG 3.85Å; K283-E314 WeakPolarHBondContact CD-OE1 3.11Å; K283-V315 PolarHBondContact N-O 2.95Å; K283-S316 VanDerWaalsContact CE-OG 3.23Å; K283-S316 WeakPolarHBondContact CE-OG 3.27Å
284E98.2Very high97.1Very high45 Ų4547.5 Ų47.521%0.2125%0.254CS..G310 helixtrans-68.6-13.5-179.6-63.279.2-174.300112.9P282 L286 I287 S316 L317 T320P282-E284 PolarHBondContact O-N 2.81Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-I287 WeakPolarHBondContact O-CG2 3.34Å; E284-S316 WeakPolarHBondContact OE1-CA 3.24Å; E284-S316 WeakPolarHBondContact OE1-CB 3.12Å; E284-S316 PolarHBondContact OE1-OG 2.99Å; E284-S316 WeakPolarHBondContact OE2-CA 3.22Å; E284-L317 PolarHBondContact OE1-N 2.97Å; E284-L317 PolarHBondContact OE2-N 3.01Å; E284-T320 HydrophobicContact CB-CG2 3.7Å
285Y97.8Very high97.2Very high3 Ų354 Ų541%0.01228%0.278CS..G310 helixtrans-87.1-7.5178.4-77.942.3000112P282 K283 I287 L317 T320 T420 F448P282-Y285 HydrophobicContact CB-CD1 3.85Å; P282-Y285 HydrophobicContact CB-CE1 4.29Å; P282-Y285 HydrophobicContact CB-CG 4.19Å; P282-Y285 PolarHBondContact O-N 3.35Å; K283-Y285 PolarHBondContact O-N 2.75Å; Y285-I287 PolarHBondContact O-N 2.94Å; Y285-I287 VanDerWaalsContact O-N 3.14Å; Y285-L317 HydrophobicContact CE1-CD1 4.15Å; Y285-T320 HydrophobicContact CD1-CG2 3.95Å; Y285-T320 HydrophobicContact CE1-CG2 3.61Å; Y285-T320 VanDerWaalsContact CE1-OG1 3.32Å; Y285-T320 WeakPolarHBondContact CE1-OG1 3.44Å; Y285-T320 PolarHBondContact OH-OG1 3.43Å; Y285-T420 HydrophobicContact CD2-CG2 3.8Å; Y285-T420 HydrophobicContact CE2-CG2 3.72Å; Y285-F448 HydrophobicContact CD2-CB 4.11Å; Y285-F448 AromaticContact CD2-CD1 3.28Å; Y285-F448 HydrophobicContact CD2-CD1 3.28Å; Y285-F448 HydrophobicContact CD2-CE1 4.02Å; Y285-F448 HydrophobicContact CD2-CG 4.02Å; Y285-F448 HydrophobicContact CE2-CB 3.84Å; Y285-F448 AromaticContact CE2-CD1 3.76Å; Y285-F448 HydrophobicContact CE2-CD1 3.76Å; Y285-F448 HydrophobicContact CE2-CG 4.23Å; Y285-F448 AromaticContact CG-CD1 3.81Å; Y285-F448 HydrophobicContact CG-CD1 3.81Å; Y285-F448 HydrophobicContact CG-CE1 4.16Å; Y285-F448 WeakPolarHBondContact O-CE1 3.35Å
286L96.4Very high97.4Very high83 Ų8354.1 Ų54.144%0.43528%0.279SS..  trans-82.184.8168.4-176.463.2000109.6K283 E284 L290 R295 W298K283-L286 PolarHBondContact O-N 2.8Å; E284-L286 VanDerWaalsContact C-N 3.33Å; L286-L290 HydrophobicContact CD1-CD2 4.5Å; L286-R295 HydrophobicContact CD1-CG 4.06Å; L286-W298 HydrophobicContact CB-CZ3 4.42Å
287I95.7Very high97.6Very high37 Ų3746.9 Ų46.919%0.1925%0.248CC..  trans-105.8156.1-179.362.2177.8000111.8E284 Y285 E289 L290 L424 I447 F448E284-I287 WeakPolarHBondContact O-CG2 3.34Å; Y285-I287 PolarHBondContact O-N 2.94Å; Y285-I287 VanDerWaalsContact O-N 3.14Å; I287-E289 HydrophobicContact CD1-CB 4.4Å; I287-E289 PolarHBondContact O-N 3.45Å; I287-L290 HydrophobicContact CG1-CB 4.17Å; I287-L290 WeakPolarHBondContact O-CB 3.38Å; I287-L290 PolarHBondContact O-N 2.66Å; I287-L424 HydrophobicContact CD1-CD2 3.71Å; I287-L424 HydrophobicContact CG1-CD2 4.38Å; I287-I447 HydrophobicContact CD1-CD1 3.42Å; I287-I447 VanDerWaalsContact CD1-CD1 3.42Å; I287-I447 HydrophobicContact CD1-CG1 4.2Å; I287-I447 HydrophobicContact CD1-CG2 4.39Å; I287-F448 HydrophobicContact CD1-CE1 4Å; I287-F448 HydrophobicContact CD1-CZ 3.8Å; I287-F448 HydrophobicContact CG1-CE1 4.35Å; I287-F448 HydrophobicContact CG1-CZ 4.1Å
288P95.1Very high97.7Very high127 Ų12746.7 Ų46.783%0.82525%0.246SC*.THydrogen-bonded Turntrans-57.5-31.5-179.9-26.635.7000114.9L290P288-L290 VanDerWaalsContact C-N 3.28Å; P288-L290 PolarHBondContact O-N 3.15Å
289E95.6Very high97.7Very high124 Ų12449.4 Ų49.458%0.57927%0.265SS*.THydrogen-bonded Turntrans-76.5-14.5-177-59.680.8-179.900113I287 S291 L424I287-E289 HydrophobicContact CD1-CB 4.4Å; I287-E289 PolarHBondContact O-N 3.45Å; E289-S291 PolarHBondContact O-N 3.03Å; E289-L424 HydrophobicContact CB-CD1 4.4Å; E289-L424 HydrophobicContact CB-CD2 3.97Å
290L97.4Very high97.6Very high13 Ų1355.4 Ų55.47%0.06829%0.291CS..SBendtrans-67.8123.7179.4-17566.3000110.1L286 I287 P288 V294 R295 W298 P421 F448L286-L290 HydrophobicContact CD1-CD2 4.5Å; I287-L290 HydrophobicContact CG1-CB 4.17Å; I287-L290 WeakPolarHBondContact O-CB 3.38Å; I287-L290 PolarHBondContact O-N 2.66Å; P288-L290 VanDerWaalsContact C-N 3.28Å; P288-L290 PolarHBondContact O-N 3.15Å; L290-V294 HydrophobicContact CD1-CB 3.92Å; L290-V294 HydrophobicContact CD1-CG1 3.6Å; L290-V294 HydrophobicContact CG-CB 4.44Å; L290-V294 HydrophobicContact CG-CG1 4.43Å; L290-R295 HydrophobicContact CD2-CB 4.01Å; L290-R295 HydrophobicContact CG-CB 4.36Å; L290-W298 HydrophobicContact CD2-CE3 4.09Å; L290-W298 HydrophobicContact CD2-CZ3 4.29Å; L290-P421 HydrophobicContact CD1-CB 4Å; L290-P421 HydrophobicContact CD1-CG 3.93Å; L290-P421 HydrophobicContact CD2-CG 4Å; L290-F448 HydrophobicContact CD1-CE2 3.86Å; L290-F448 HydrophobicContact CD1-CZ 3.88Å
291S97.7Very high97.6Very high28 Ų2855.6 Ų55.620%0.19629%0.293CS..  trans-61.2147.4-178.893.90000111.4E289 E293 V294 R295 L424E289-S291 PolarHBondContact O-N 3.03Å; S291-E293 PolarHBondContact O-N 2.82Å; S291-V294 PolarHBondContact O-N 2.88Å; S291-V294 WeakPolarHBondContact OG-CG2 3.25Å; S291-V294 PolarHBondContact OG-N 3.03Å; S291-V294 VanDerWaalsContact OG-N 3.17Å; S291-R295 WeakPolarHBondContact O-CB 3.27Å; S291-R295 PolarHBondContact O-N 2.99Å; S291-L424 WeakPolarHBondContact CB-O 3.35Å; S291-L424 PolarHBondContact N-O 3.33Å
292S97.7Very high97.6Very high98 Ų9854.7 Ų54.769%0.68529%0.29SS*.Hα-helixtrans-61.6-31.3179.257.20000112.3S296S292-S296 VanDerWaalsContact O-CB 3.29Å; S292-S296 WeakPolarHBondContact O-CB 3.43Å; S292-S296 PolarHBondContact O-N 2.59Å
293E97.5Very high97.6Very high45 Ų4559 Ų5921%0.2131%0.313CS..Hα-helixtrans-66.9-49.1175.7-63-167.8-137.800111.3S291 R295 S296 L297 S467 N468 I473S291-E293 PolarHBondContact O-N 2.82Å; E293-R295 PolarHBondContact O-N 2.78Å; E293-S296 PolarHBondContact O-N 3.4Å; E293-L297 WeakPolarHBondContact O-CG 3.23Å; E293-L297 PolarHBondContact O-N 2.98Å; E293-S467 WeakPolarHBondContact OE2-CA 3.44Å; E293-S467 WeakPolarHBondContact OE2-CB 3.41Å; E293-N468 PolarHBondContact OE1-ND2 3.18Å; E293-N468 PolarHBondContact OE2-N 3.12Å; E293-N468 PolarHBondContact OE2-ND2 3.05Å; E293-I473 HydrophobicContact CB-CD1 4.02Å
294V98.3Very high97.6Very high0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-63.9-44177.7-179.90000110.4L290 S291 S296 L297 W298 P421 I473L290-V294 HydrophobicContact CD1-CB 3.92Å; L290-V294 HydrophobicContact CD1-CG1 3.6Å; L290-V294 HydrophobicContact CG-CB 4.44Å; L290-V294 HydrophobicContact CG-CG1 4.43Å; S291-V294 PolarHBondContact O-N 2.88Å; S291-V294 WeakPolarHBondContact OG-CG2 3.25Å; S291-V294 PolarHBondContact OG-N 3.03Å; S291-V294 VanDerWaalsContact OG-N 3.17Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.88Å; V294-L297 PolarHBondContact O-N 2.88Å; V294-W298 WeakPolarHBondContact O-CB 3.44Å; V294-W298 PolarHBondContact O-N 2.85Å; V294-P421 HydrophobicContact CG1-CB 3.82Å; V294-P421 HydrophobicContact CG1-CG 4.27Å; V294-I473 HydrophobicContact CG2-CD1 4.34Å; V294-I473 HydrophobicContact CG2-CG2 3.83Å
295R98.2Very high97.6Very high141 Ų14154 Ų5453%0.53229%0.293SS..Hα-helixtrans-58.4-44.1175.5-178.1-179174.8173.52112.1L286 L290 S291 E293 W298 S299L286-R295 HydrophobicContact CD1-CG 4.06Å; L290-R295 HydrophobicContact CD2-CB 4.01Å; L290-R295 HydrophobicContact CG-CB 4.36Å; S291-R295 WeakPolarHBondContact O-CB 3.27Å; S291-R295 PolarHBondContact O-N 2.99Å; E293-R295 PolarHBondContact O-N 2.78Å; R295-W298 PolarHBondContact O-N 2.87Å; R295-S299 PolarHBondContact O-N 3.1Å
296S98.3Very high97.7Very high52 Ų5260.6 Ų60.636%0.36432%0.321SS..Hα-helixtrans-63.9-44.7178.4-175.60000111.5S292 E293 V294 S299 K300S292-S296 VanDerWaalsContact O-CB 3.29Å; S292-S296 WeakPolarHBondContact O-CB 3.43Å; S292-S296 PolarHBondContact O-N 2.59Å; E293-S296 PolarHBondContact O-N 3.4Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.88Å; S296-S299 PolarHBondContact O-N 3.35Å; S296-K300 WeakPolarHBondContact O-CG 3.4Å; S296-K300 PolarHBondContact O-N 2.78Å
297L98.1Very high97.7Very high27 Ų2760.8 Ų60.814%0.14133%0.329CS..Hα-helixtrans-64.8-39.5177.4-72.3168000112.2E293 V294 K300 A301 V464 A465 I473E293-L297 WeakPolarHBondContact O-CG 3.23Å; E293-L297 PolarHBondContact O-N 2.98Å; V294-L297 PolarHBondContact O-N 2.88Å; L297-K300 PolarHBondContact O-N 3.31Å; L297-A301 WeakPolarHBondContact O-CB 3.03Å; L297-A301 PolarHBondContact O-N 3.05Å; L297-V464 HydrophobicContact CD2-CG1 4.46Å; L297-A465 HydrophobicContact CD1-CB 3.93Å; L297-A465 HydrophobicContact CD2-CB 3.74Å; L297-I473 HydrophobicContact CD1-CB 3.92Å; L297-I473 HydrophobicContact CD1-CD1 3.65Å; L297-I473 HydrophobicContact CD1-CG1 4.39Å; L297-I473 HydrophobicContact CD1-CG2 3.67Å
298W98.6Very high97.8Very high16 Ų1663.3 Ų63.36%0.06134%0.341CS..Hα-helixtrans-61.8-44176.1-17526.5000111.8I281 P282 L286 L290 V294 R295 A301 A302 L419 P421 L475I281-W298 HydrophobicContact CG2-CH2 4.07Å; I281-W298 HydrophobicContact CG2-CZ2 3.47Å; I281-W298 VanDerWaalsContact CG2-CZ2 3.47Å; P282-W298 WeakPolarHBondContact O-CH2 3.43Å; L286-W298 HydrophobicContact CB-CZ3 4.42Å; L290-W298 HydrophobicContact CD2-CE3 4.09Å; L290-W298 HydrophobicContact CD2-CZ3 4.29Å; V294-W298 WeakPolarHBondContact O-CB 3.44Å; V294-W298 PolarHBondContact O-N 2.85Å; R295-W298 PolarHBondContact O-N 2.87Å; W298-A301 PolarHBondContact O-N 2.86Å; W298-A302 PolarHBondContact O-N 3.4Å; W298-A302 VanDerWaalsContact O-N 3.08Å; W298-L419 PolarHBondContact NE1-O 3.36Å; W298-P421 HydrophobicContact CD2-CG 3.86Å; W298-P421 HydrophobicContact CE3-CG 3.68Å; W298-P421 HydrophobicContact CG-CG 4.31Å; W298-P421 HydrophobicContact CZ3-CG 4.09Å; W298-L475 HydrophobicContact CB-CD2 4.08Å
299S98.3Very high97.9Very high66 Ų6659.4 Ų59.446%0.46232%0.323SS..Hα-helixtrans-61.6-46.8173.5-169.80000112R295 S296 A301 A302 D303R295-S299 PolarHBondContact O-N 3.1Å; S296-S299 PolarHBondContact O-N 3.35Å; S299-A301 VanDerWaalsContact C-N 3.3Å; S299-A301 PolarHBondContact O-N 3.22Å; S299-A302 WeakPolarHBondContact O-CB 3.3Å; S299-A302 PolarHBondContact O-N 2.85Å; S299-A302 VanDerWaalsContact O-N 3.17Å; S299-D303 PolarHBondContact O-N 3.44Å
300K98.4Very high98Very high127 Ų12753.8 Ų53.855%0.55230%0.298SS*.Hα-helixtrans-61.7-38.4178.9-73.2173.4-177175.90112.4S296 L297 D303 L304S296-K300 WeakPolarHBondContact O-CG 3.4Å; S296-K300 PolarHBondContact O-N 2.78Å; L297-K300 PolarHBondContact O-N 3.31Å; K300-D303 PolarHBondContact O-N 2.87Å; K300-L304 WeakPolarHBondContact O-CB 3.46Å; K300-L304 PolarHBondContact O-N 3.3Å
301A98.4Very high98.1Very high4 Ų459.1 Ų59.13%0.03332%0.32CS..Hα-helixtrans-64.1-42.5175.700000111.3L297 W298 S299 L304 F305 L419 L475 F494L297-A301 WeakPolarHBondContact O-CB 3.03Å; L297-A301 PolarHBondContact O-N 3.05Å; W298-A301 PolarHBondContact O-N 2.86Å; S299-A301 VanDerWaalsContact C-N 3.3Å; S299-A301 PolarHBondContact O-N 3.22Å; A301-L304 WeakPolarHBondContact O-CB 3.11Å; A301-L304 PolarHBondContact O-N 3.38Å; A301-F305 VanDerWaalsContact O-CD2 3.3Å; A301-F305 WeakPolarHBondContact O-CD2 3.38Å; A301-F305 PolarHBondContact O-N 2.84Å; A301-L419 HydrophobicContact CB-CD2 3.87Å; A301-L475 HydrophobicContact CB-CD1 3.42Å; A301-L475 VanDerWaalsContact CB-CD1 3.42Å; A301-F494 HydrophobicContact CB-CE2 3.68Å; A301-F494 HydrophobicContact CB-CZ 3.58Å
302A98.4Very high98.1Very high13 Ų1359.8 Ų59.811%0.10732%0.323CS..Hα-helixtrans-62-43.8173.600000111.8I281 W298 S299 L304 F305 K306 V312 L419I281-A302 HydrophobicContact CD1-CB 4.03Å; I281-A302 HydrophobicContact CG1-CB 4.49Å; W298-A302 PolarHBondContact O-N 3.4Å; W298-A302 VanDerWaalsContact O-N 3.08Å; S299-A302 WeakPolarHBondContact O-CB 3.3Å; S299-A302 PolarHBondContact O-N 2.85Å; S299-A302 VanDerWaalsContact O-N 3.17Å; A302-L304 VanDerWaalsContact C-N 3.31Å; A302-L304 PolarHBondContact O-N 2.97Å; A302-F305 PolarHBondContact O-N 3.12Å; A302-K306 PolarHBondContact O-N 3.33Å; A302-K306 VanDerWaalsContact O-N 3.1Å; A302-V312 HydrophobicContact CB-CG1 4.15Å; A302-L419 HydrophobicContact CB-CD2 4.36Å
303D98.4Very high98.1Very high90 Ų9057.7 Ų57.748%0.48130%0.304SS..Hα-helixtrans-62.3-37.2177-70.2-34.6000112.5S299 K300 K306 S307S299-D303 PolarHBondContact O-N 3.44Å; K300-D303 PolarHBondContact O-N 2.87Å; D303-K306 WeakPolarHBondContact O-CB 3.21Å; D303-K306 PolarHBondContact O-N 2.87Å; D303-S307 PolarHBondContact O-N 2.66Å; D303-S307 PolarHBondContact O-OG 3.16Å
304L98.1Very high98.2Very high41 Ų4162.6 Ų62.622%0.21533%0.327CS..Hα-helixtrans-62.9-43.6175.7174.964.5000112.2K300 A301 A302 K306 S307 E308 W493 F494 Q497K300-L304 WeakPolarHBondContact O-CB 3.46Å; K300-L304 PolarHBondContact O-N 3.3Å; A301-L304 WeakPolarHBondContact O-CB 3.11Å; A301-L304 PolarHBondContact O-N 3.38Å; A302-L304 VanDerWaalsContact C-N 3.31Å; A302-L304 PolarHBondContact O-N 2.97Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.37Å; L304-S307 PolarHBondContact O-N 3.07Å; L304-S307 PolarHBondContact O-OG 2.98Å; L304-E308 HydrophobicContact CD1-CG 4.32Å; L304-E308 WeakPolarHBondContact O-CB 3.26Å; L304-E308 VanDerWaalsContact O-CG 3.23Å; L304-E308 WeakPolarHBondContact O-CG 3.48Å; L304-E308 PolarHBondContact O-N 2.97Å; L304-W493 HydrophobicContact CD2-CH2 4.46Å; L304-W493 HydrophobicContact CG-CH2 4.02Å; L304-F494 HydrophobicContact CD2-CD2 4.15Å; L304-F494 HydrophobicContact CD2-CE2 3.98Å; L304-Q497 HydrophobicContact CD2-CB 3.56Å; L304-Q497 HydrophobicContact CD2-CG 4.03Å
305F98.4Very high98.2Very high0 Ų063.2 Ų63.20%033%0.331CS..Hα-helixtrans-61.2-42.2173.3-85.1-75.4000111.4V274 I279 A301 A302 E308 G309 A310 V312 L419 F477 V490 W493 F494V274-F305 HydrophobicContact CB-CD1 4.31Å; V274-F305 HydrophobicContact CB-CE1 4.37Å; V274-F305 HydrophobicContact CG1-CE1 4.13Å; V274-F305 HydrophobicContact CG2-CD1 4.45Å; I279-F305 HydrophobicContact CD1-CD1 3.97Å; I279-F305 HydrophobicContact CD1-CE1 4.01Å; I279-F305 HydrophobicContact CD1-CG 4.39Å; I279-F305 HydrophobicContact CD1-CZ 4.48Å; I279-F305 HydrophobicContact CG1-CB 4.06Å; I279-F305 HydrophobicContact CG1-CD1 3.79Å; I279-F305 HydrophobicContact CG1-CD2 4.35Å; I279-F305 HydrophobicContact CG1-CE1 4.31Å; I279-F305 HydrophobicContact CG1-CG 3.81Å; A301-F305 VanDerWaalsContact O-CD2 3.3Å; A301-F305 WeakPolarHBondContact O-CD2 3.38Å; A301-F305 PolarHBondContact O-N 2.84Å; A302-F305 PolarHBondContact O-N 3.12Å; F305-E308 PolarHBondContact O-N 3.45Å; F305-G309 PolarHBondContact O-N 3.08Å; F305-A310 HydrophobicContact CB-CB 4.06Å; F305-A310 HydrophobicContact CD1-CB 4.25Å; F305-A310 WeakPolarHBondContact O-CB 3.41Å; F305-A310 PolarHBondContact O-N 3.11Å; F305-V312 HydrophobicContact CB-CG2 4.07Å; F305-L419 HydrophobicContact CD2-CD2 4.31Å; F305-L419 HydrophobicContact CE2-CD2 4.43Å; F305-F477 AromaticContact CE2-CE1 3.5Å; F305-F477 HydrophobicContact CE2-CE1 3.5Å; F305-F477 AromaticContact CE2-CZ 3.75Å; F305-F477 HydrophobicContact CE2-CZ 3.75Å; F305-F477 AromaticContact CZ-CE1 3.57Å; F305-F477 HydrophobicContact CZ-CE1 3.57Å; F305-F477 AromaticContact CZ-CZ 3.9Å; F305-F477 HydrophobicContact CZ-CZ 3.9Å; F305-V490 HydrophobicContact CE1-CG1 3.88Å; F305-V490 HydrophobicContact CZ-CG1 3.83Å; F305-W493 HydrophobicContact CD1-CE3 4.29Å; F305-W493 HydrophobicContact CD1-CH2 4.15Å; F305-W493 AromaticContact CD1-CZ3 3.61Å; F305-W493 HydrophobicContact CD1-CZ3 3.61Å; F305-W493 HydrophobicContact CD2-CZ3 4.35Å; F305-W493 AromaticContact CE1-CE3 3.61Å; F305-W493 HydrophobicContact CE1-CE3 3.61Å; F305-W493 HydrophobicContact CE1-CH2 4.28Å; F305-W493 AromaticContact CE1-CZ3 3.33Å; F305-W493 HydrophobicContact CE1-CZ3 3.33Å; F305-W493 HydrophobicContact CE2-CZ3 4.1Å; F305-W493 HydrophobicContact CG-CZ3 4.12Å; F305-W493 AromaticContact CZ-CE3 3.84Å; F305-W493 HydrophobicContact CZ-CE3 3.84Å; F305-W493 AromaticContact CZ-CZ3 3.59Å; F305-W493 HydrophobicContact CZ-CZ3 3.59Å; F305-F494 AromaticContact CE2-CD2 3.67Å; F305-F494 HydrophobicContact CE2-CD2 3.67Å; F305-F494 HydrophobicContact CE2-CE2 4.12Å; F305-F494 HydrophobicContact CE2-CG 4.38Å; F305-F494 HydrophobicContact CZ-CB 4.27Å; F305-F494 HydrophobicContact CZ-CD2 4.05Å; F305-F494 HydrophobicContact CZ-CG 4.46Å
306K98Very high98.2Very high141 Ų14158.9 Ų58.961%0.61332%0.322SS*.Hα-helixtrans-64.5-41.5179-172.8179.3178-1780112.6A302 D303 L304 E308 G309 V312A302-K306 PolarHBondContact O-N 3.33Å; A302-K306 VanDerWaalsContact O-N 3.1Å; D303-K306 WeakPolarHBondContact O-CB 3.21Å; D303-K306 PolarHBondContact O-N 2.87Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.37Å; K306-E308 PolarHBondContact O-N 2.91Å; K306-G309 PolarHBondContact O-N 3.32Å; K306-V312 HydrophobicContact CB-CG2 3.93Å
307S97.6Very high98.2Very high86 Ų8656.4 Ų56.460%0.60131%0.305SS*.Hα-helixtrans-65.6-27.3177.860.50000112.6D303 L304 G309D303-S307 PolarHBondContact O-N 2.66Å; D303-S307 PolarHBondContact O-OG 3.16Å; L304-S307 PolarHBondContact O-N 3.07Å; L304-S307 PolarHBondContact O-OG 2.98Å; S307-G309 PolarHBondContact O-N 3.25Å
308E97.5Very high98.2Very high91 Ų9158.1 Ų58.143%0.42532%0.318SS..THydrogen-bonded Turntrans-91.413.9-179.8-64.3-74.4146.900112.2V274 L304 F305 K306 W493V274-E308 HydrophobicContact CG2-CB 3.81Å; L304-E308 HydrophobicContact CD1-CG 4.32Å; L304-E308 WeakPolarHBondContact O-CB 3.26Å; L304-E308 VanDerWaalsContact O-CG 3.23Å; L304-E308 WeakPolarHBondContact O-CG 3.48Å; L304-E308 PolarHBondContact O-N 2.97Å; F305-E308 PolarHBondContact O-N 3.45Å; K306-E308 PolarHBondContact O-N 2.91Å; E308-W493 HydrophobicContact CB-CH2 3.97Å; E308-W493 HydrophobicContact CB-CZ2 3.68Å; E308-W493 HydrophobicContact CG-CH2 3.87Å; E308-W493 HydrophobicContact CG-CZ2 3.55Å
309G97.4Very high98.2Very high45 Ų4559.7 Ų59.746%0.46433%0.325SS..THydrogen-bonded Turntrans91.1-6.6171.400000115.1S275 F305 K306 S307S275-G309 CarbonylContact O-C 3.43Å; F305-G309 PolarHBondContact O-N 3.08Å; K306-G309 PolarHBondContact O-N 3.32Å; S307-G309 PolarHBondContact O-N 3.25Å
310A98.2Very high98.1Very high5 Ų556.9 Ų56.94%0.04131%0.306CS..  trans-67.1148.4178.100000111.1V274 I279 F305V274-A310 VanDerWaalsContact O-CB 3.26Å; V274-A310 WeakPolarHBondContact O-CB 3.31Å; I279-A310 HydrophobicContact CG1-CB 4.37Å; F305-A310 HydrophobicContact CB-CB 4.06Å; F305-A310 HydrophobicContact CD1-CB 4.25Å; F305-A310 WeakPolarHBondContact O-CB 3.41Å; F305-A310 PolarHBondContact O-N 3.11Å
311K98.4Very high97.9Very high125 Ų12554.8 Ų54.854%0.54331%0.307SS..EExtended strand (participates in β ladder)trans-79.6127.3170.6-171-178.2-178.1-171.10108.7L277 C278 I279 L313L277-K311 PolarHBondContact O-N 3.3Å; C278-K311 CarbonylContact C-O 3.58Å; C278-K311 VanDerWaalsContact CA-O 3.31Å; C278-K311 WeakPolarHBondContact CA-O 3.41Å; C278-K311 HydrophobicContact CB-CB 4.44Å; I279-K311 PolarHBondContact N-O 3.08Å; K311-L313 HydrophobicContact CD-CD1 4.19Å; K311-L313 HydrophobicContact CD-CG 4.25Å; K311-L313 HydrophobicContact CG-CD2 4.39Å; K311-L313 HydrophobicContact CG-CG 4.14Å
312V98.4Very high97.9Very high42 Ų4260.7 Ų60.726%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-114.4124.1175.2-176.70000108.9I279 I281 A302 F305 K306I279-V312 HydrophobicContact CB-CG2 4.38Å; I279-V312 WeakPolarHBondContact O-CA 3.42Å; I281-V312 HydrophobicContact CD1-CG1 4.27Å; I281-V312 HydrophobicContact CG1-CG1 3.72Å; A302-V312 HydrophobicContact CB-CG1 4.15Å; F305-V312 HydrophobicContact CB-CG2 4.07Å; K306-V312 HydrophobicContact CB-CG2 3.93Å
313L97.8Very high97.8Very high55 Ų5560.1 Ų60.129%0.28832%0.324SS..EExtended strand (participates in β ladder)trans-127.4139.6-176.8-68.4-179.6000111.3C278 I279 G280 I281 K311C278-L313 VanDerWaalsContact SG-CD1 3.59Å; I279-L313 PolarHBondContact O-N 2.94Å; G280-L313 CarbonylContact C-O 3.58Å; G280-L313 WeakPolarHBondContact CA-O 3.38Å; I281-L313 PolarHBondContact N-O 3.28Å; K311-L313 HydrophobicContact CD-CD1 4.19Å; K311-L313 HydrophobicContact CD-CG 4.25Å; K311-L313 HydrophobicContact CG-CD2 4.39Å; K311-L313 HydrophobicContact CG-CG 4.14Å
314E98.3Very high97.7Very high147 Ų14757.7 Ų57.769%0.68731%0.311SS*.EExtended strand (participates in β ladder)trans-68.7136161.1-170.6-178.9106.900109.6I281 K283I281-E314 WeakPolarHBondContact O-CA 3.41Å; K283-E314 HydrophobicContact CB-CG 3.85Å; K283-E314 WeakPolarHBondContact CD-OE1 3.11Å
315V98.4Very high97.6Very high13 Ų1359.5 Ų59.58%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-129167.7176.2-56.30000110.3I281 P282 K283 V415 L418I281-V315 PolarHBondContact O-N 2.83Å; P282-V315 HydrophobicContact CB-CG2 4.3Å; P282-V315 HydrophobicContact CG-CG2 4.07Å; K283-V315 PolarHBondContact N-O 2.95Å; V315-V415 HydrophobicContact CG1-CG2 3.73Å; V315-L418 HydrophobicContact CG2-CD2 3.72Å
316S98.3Very high97.6Very high50 Ų5059.9 Ų59.935%0.3533%0.326SS..  trans-122.2126.3-178.2-1690000110.8K283 E284 P318K283-S316 VanDerWaalsContact CE-OG 3.23Å; K283-S316 WeakPolarHBondContact CE-OG 3.27Å; E284-S316 WeakPolarHBondContact OE1-CA 3.24Å; E284-S316 WeakPolarHBondContact OE1-CB 3.12Å; E284-S316 PolarHBondContact OE1-OG 2.99Å; E284-S316 WeakPolarHBondContact OE2-CA 3.22Å; S316-P318 VanDerWaalsContact C-CD 3.48Å
317L98.6Very high97.6Very high1 Ų153.9 Ų53.91%0.00530%0.3CS..  trans-12068.6171-58179.6000109.3P282 E284 Y285 H319 T320 D406 F407 A410 L418P282-L317 HydrophobicContact CB-CD1 3.79Å; P282-L317 HydrophobicContact CB-CG 4.1Å; P282-L317 HydrophobicContact CG-CD1 3.75Å; P282-L317 HydrophobicContact CG-CG 4.38Å; E284-L317 PolarHBondContact OE1-N 2.97Å; E284-L317 PolarHBondContact OE2-N 3.01Å; Y285-L317 HydrophobicContact CE1-CD1 4.15Å; L317-H319 PolarHBondContact O-N 3.34Å; L317-T320 HydrophobicContact CB-CG2 4.5Å; L317-T320 WeakPolarHBondContact O-CB 3.28Å; L317-T320 VanDerWaalsContact O-CG2 3.3Å; L317-T320 WeakPolarHBondContact O-CG2 3.45Å; L317-T320 PolarHBondContact O-N 3.31Å; L317-D406 HydrophobicContact CB-CB 4.39Å; L317-D406 HydrophobicContact CD2-CB 3.83Å; L317-F407 HydrophobicContact CD1-CD1 4.25Å; L317-F407 HydrophobicContact CD1-CE1 3.71Å; L317-F407 HydrophobicContact CD1-CZ 4.04Å; L317-F407 HydrophobicContact CD2-CD1 4.25Å; L317-F407 HydrophobicContact CD2-CG 4.48Å; L317-A410 HydrophobicContact CD2-CB 4.11Å; L317-L418 HydrophobicContact CD1-CD1 4.22Å
318P98.2Very high97.5Very high63 Ų6351.5 Ų51.541%0.40928%0.279SS..THydrogen-bonded Turntrans-62.1-22.6-164.724.4-35.8000114.7S316 D406S316-P318 VanDerWaalsContact C-CD 3.48Å; P318-D406 VanDerWaalsContact CD-OD2 3.32Å; P318-D406 WeakPolarHBondContact CD-OD2 3.41Å
319H98.5Very high97.6Very high48 Ų4848 Ų4822%0.22226%0.264CS..THydrogen-bonded Turntrans-95.1-1.6-178.8-53.796.4000113.7L317 S321 Y322 L402 I403 D406L317-H319 PolarHBondContact O-N 3.34Å; H319-S321 PolarHBondContact O-N 3.01Å; H319-Y322 HydrophobicContact CB-CD2 4.09Å; H319-Y322 WeakPolarHBondContact O-CB 3.37Å; H319-Y322 PolarHBondContact O-N 2.92Å; H319-L402 HydrophobicContact CB-CB 4.36Å; H319-I403 HydrophobicContact CB-CG1 3.79Å; H319-I403 WeakPolarHBondContact O-CG1 3.32Å; H319-D406 WeakPolarHBondContact CA-OD2 3.28Å; H319-D406 WeakPolarHBondContact CB-OD2 3.14Å; H319-D406 IonicContact CE1-OD1 3.46Å; H319-D406 IonicContact CG-OD2 3.1Å; H319-D406 PolarHBondContact N-OD2 2.91Å; H319-D406 VanDerWaalsContact ND1-CG 3.26Å; H319-D406 IonicContact ND1-OD1 2.7Å; H319-D406 PolarHBondContact ND1-OD1 2.99Å; H319-D406 IonicContact ND1-OD2 2.69Å; H319-D406 PolarHBondContact ND1-OD2 3.12Å
320T96.2Very high97.6Very high8 Ų846 Ų465%0.04924%0.243CC..G310 helixtrans-60-33-176.2-162.50000113.2E284 Y285 L317 Y322 S323E284-T320 HydrophobicContact CB-CG2 3.7Å; Y285-T320 HydrophobicContact CD1-CG2 3.95Å; Y285-T320 HydrophobicContact CE1-CG2 3.61Å; Y285-T320 VanDerWaalsContact CE1-OG1 3.32Å; Y285-T320 WeakPolarHBondContact CE1-OG1 3.44Å; Y285-T320 PolarHBondContact OH-OG1 3.43Å; L317-T320 HydrophobicContact CB-CG2 4.5Å; L317-T320 WeakPolarHBondContact O-CB 3.28Å; L317-T320 VanDerWaalsContact O-CG2 3.3Å; L317-T320 WeakPolarHBondContact O-CG2 3.45Å; L317-T320 PolarHBondContact O-N 3.31Å; T320-Y322 PolarHBondContact O-N 2.79Å; T320-S323 WeakPolarHBondContact O-CB 3.4Å; T320-S323 PolarHBondContact O-N 3.41Å; T320-S323 PolarHBondContact O-OG 3.05Å
321S94.8Very high97.6Very high82 Ų8245.9 Ų45.957%0.57324%0.241SC*.G310 helixtrans-64.2-23.8177.558.30000113H319 S323H319-S321 PolarHBondContact O-N 3.01Å; S321-S323 VanDerWaalsContact C-N 3.28Å
322Y97.3Very high97.6Very high128 Ų12840 Ų4050%0.50222%0.216SC..G310 helixtrans-80.7-7.4174.5-56.7-62.2000113.2H319 T320 I324 V325 C326H319-Y322 HydrophobicContact CB-CD2 4.09Å; H319-Y322 WeakPolarHBondContact O-CB 3.37Å; H319-Y322 PolarHBondContact O-N 2.92Å; T320-Y322 PolarHBondContact O-N 2.79Å; Y322-I324 VanDerWaalsContact C-N 3.34Å; Y322-I324 PolarHBondContact O-N 3.04Å; Y322-V325 PolarHBondContact O-N 2.92Å; Y322-C326 WeakPolarHBondContact O-CB 3.2Å; Y322-C326 PolarHBondContact O-N 2.91Å
323S97.1Very high97.6Very high1 Ų138 Ų381%0.00720%0.204CC..Hα-helixtrans-58.9-42.9-177.263.80000112T320 S321 V325 C326 Y327 M454T320-S323 WeakPolarHBondContact O-CB 3.4Å; T320-S323 PolarHBondContact O-N 3.41Å; T320-S323 PolarHBondContact O-OG 3.05Å; S321-S323 VanDerWaalsContact C-N 3.28Å; S323-V325 PolarHBondContact O-N 2.93Å; S323-C326 PolarHBondContact O-N 2.74Å; S323-Y327 WeakPolarHBondContact O-CB 3.32Å; S323-Y327 PolarHBondContact O-N 3.32Å; S323-M454 WeakPolarHBondContact O-CE 3.36Å
324I96.1Very high97.6Very high40 Ų4037 Ų3721%0.20520%0.198CC..Hα-helixtrans-56.9-50.6179.8-61.4-51.2000112.4Y322 H328 A443 Q450Y322-I324 VanDerWaalsContact C-N 3.34Å; Y322-I324 PolarHBondContact O-N 3.04Å; I324-H328 PolarHBondContact O-N 3.03Å; I324-H328 VanDerWaalsContact O-N 3.09Å; I324-A443 HydrophobicContact CG2-CB 3.58Å; I324-Q450 VanDerWaalsContact CD1-OE1 3.27Å
325V96.4Very high97.6Very high79 Ų7930 Ų3048%0.47917%0.165SC..Hα-helixtrans-73-39.8-178.6-1130000111.8Y322 S323 H328 V329Y322-V325 PolarHBondContact O-N 2.92Å; S323-V325 PolarHBondContact O-N 2.93Å; V325-H328 PolarHBondContact O-N 3.43Å; V325-V329 PolarHBondContact O-N 3.5Å
326C98.1Very high97.6Very high7 Ų729.7 Ų29.75%0.04716%0.164CC..Hα-helixtrans-62-44.3175.8177.70000111.2Y322 S323 H328 V329 L330 A396 V399 I403 M454Y322-C326 WeakPolarHBondContact O-CB 3.2Å; Y322-C326 PolarHBondContact O-N 2.91Å; S323-C326 PolarHBondContact O-N 2.74Å; C326-H328 PolarHBondContact O-N 2.68Å; C326-V329 PolarHBondContact O-N 3.28Å; C326-L330 WeakPolarHBondContact O-CG 3.14Å; C326-L330 PolarHBondContact O-N 3.3Å; C326-L330 VanDerWaalsContact O-N 3.09Å; C326-A396 PolarHBondContact SG-O 3.31Å; C326-V399 HydrophobicContact CB-CB 4.49Å; C326-V399 HydrophobicContact CB-CG1 3.96Å; C326-I403 HydrophobicContact CB-CD1 4.33Å; C326-M454 HydrophobicContact CB-CE 3.86Å; C326-M454 HydrophobicContact CB-SD 4.28Å
327Y97.8Very high97.5Very high15 Ų1531.4 Ų31.46%0.05918%0.176CC..Hα-helixtrans-61.9-46.9178.8-179-102.4000109.9T192 M227 S323 V329 L330 C331 Q450 M454T192-Y327 HydrophobicContact CG2-CE2 4.19Å; T192-Y327 WeakPolarHBondContact CG2-OH 3.42Å; T192-Y327 WeakPolarHBondContact O-CE2 3.34Å; M227-Y327 HydrophobicContact SD-CD2 3.7Å; M227-Y327 HydrophobicContact SD-CE2 3.8Å; S323-Y327 WeakPolarHBondContact O-CB 3.32Å; S323-Y327 PolarHBondContact O-N 3.32Å; Y327-V329 VanDerWaalsContact C-N 3.32Å; Y327-V329 PolarHBondContact O-N 2.54Å; Y327-L330 PolarHBondContact O-N 2.9Å; Y327-C331 HydrophobicContact CD1-CB 4.09Å; Y327-C331 HydrophobicContact CE1-CB 3.85Å; Y327-C331 HydrophobicContact CE2-CB 4.28Å; Y327-C331 HydrophobicContact CG-CB 4.42Å; Y327-C331 WeakPolarHBondContact O-CA 3.46Å; Y327-C331 WeakPolarHBondContact O-CB 3.25Å; Y327-C331 PolarHBondContact O-N 2.99Å; Y327-Q450 VanDerWaalsContact CD1-CD 3.47Å; Y327-Q450 HydrophobicContact CD1-CG 4.15Å; Y327-Q450 VanDerWaalsContact CD1-NE2 3.31Å; Y327-Q450 HydrophobicContact CD2-CG 3.94Å; Y327-Q450 HydrophobicContact CE2-CG 4.33Å; Y327-Q450 VanDerWaalsContact CG-CD 3.46Å; Y327-Q450 HydrophobicContact CG-CG 3.83Å; Y327-M454 HydrophobicContact CD2-CE 4.26Å; Y327-M454 HydrophobicContact CG-CE 4.31Å
328H96.8Very high97.5Very high37 Ų3731.7 Ų31.717%0.17118%0.177CC..Hα-helixtrans-55.6-47.3-179.7-175.967.6000112.2I324 V325 C326 T332I324-H328 PolarHBondContact O-N 3.03Å; I324-H328 VanDerWaalsContact O-N 3.09Å; V325-H328 PolarHBondContact O-N 3.43Å; C326-H328 PolarHBondContact O-N 2.68Å; H328-T332 WeakPolarHBondContact O-CB 3.34Å; H328-T332 VanDerWaalsContact O-CG2 3.3Å; H328-T332 WeakPolarHBondContact O-CG2 3.35Å; H328-T332 PolarHBondContact O-N 2.94Å; H328-T332 PolarHBondContact O-OG1 3.38Å
329V98.1Very high97.4Very high18 Ų1828.8 Ų28.811%0.10916%0.158CC..Hα-helixtrans-63.7-50.1178.8175.70000111.2V325 C326 Y327 T332 S333 F383 A396V325-V329 PolarHBondContact O-N 3.5Å; C326-V329 PolarHBondContact O-N 3.28Å; Y327-V329 VanDerWaalsContact C-N 3.32Å; Y327-V329 PolarHBondContact O-N 2.54Å; V329-T332 PolarHBondContact O-OG1 3.17Å; V329-S333 VanDerWaalsContact O-CB 3.28Å; V329-S333 WeakPolarHBondContact O-CB 3.39Å; V329-S333 PolarHBondContact O-N 2.82Å; V329-S333 VanDerWaalsContact O-N 3.09Å; V329-S333 PolarHBondContact O-OG 3.29Å; V329-F383 HydrophobicContact CB-CD2 4.4Å; V329-F383 HydrophobicContact CB-CE2 4.42Å; V329-F383 HydrophobicContact CG1-CB 4.4Å; V329-F383 HydrophobicContact CG1-CD2 4.12Å; V329-F383 HydrophobicContact CG1-CG 4.13Å; V329-F383 HydrophobicContact CG2-CD2 4.44Å; V329-F383 HydrophobicContact CG2-CE1 4.35Å; V329-F383 HydrophobicContact CG2-CE2 4.1Å; V329-F383 HydrophobicContact CG2-CZ 4.06Å; V329-A396 HydrophobicContact CB-CB 3.87Å; V329-A396 HydrophobicContact CG1-CB 3.7Å
330L98.3Very high97.4Very high3 Ų329.3 Ų29.32%0.01617%0.171CC..Hα-helixtrans-66.7-45.4-177.4-65178.5000112M227 C326 Y327 S333 E334 F393 A396 Q397 R400M227-L330 HydrophobicContact CE-CB 3.99Å; M227-L330 HydrophobicContact CE-CD1 3.61Å; M227-L330 HydrophobicContact CE-CG 4.46Å; C326-L330 WeakPolarHBondContact O-CG 3.14Å; C326-L330 PolarHBondContact O-N 3.3Å; C326-L330 VanDerWaalsContact O-N 3.09Å; Y327-L330 PolarHBondContact O-N 2.9Å; L330-S333 PolarHBondContact O-N 3.11Å; L330-E334 PolarHBondContact O-N 2.99Å; L330-F393 HydrophobicContact CD2-CD2 4.03Å; L330-F393 HydrophobicContact CD2-CE2 3.87Å; L330-A396 HydrophobicContact CD2-CB 3.81Å; L330-A396 HydrophobicContact CG-CB 3.89Å; L330-Q397 HydrophobicContact CD2-CG 3.74Å; L330-R400 HydrophobicContact CD1-CB 3.99Å; L330-R400 HydrophobicContact CD1-CG 4.29Å
331C97.8Very high97.4Very high2 Ų234.8 Ų34.81%0.01419%0.191CC..Hα-helixtrans-60.7-52.4179.1174.10000111.3V224 Y327 S333 E334 V335V224-C331 HydrophobicContact CG2-CB 3.71Å; V224-C331 VanDerWaalsContact CG2-SG 3.59Å; Y327-C331 HydrophobicContact CD1-CB 4.09Å; Y327-C331 HydrophobicContact CE1-CB 3.85Å; Y327-C331 HydrophobicContact CE2-CB 4.28Å; Y327-C331 HydrophobicContact CG-CB 4.42Å; Y327-C331 WeakPolarHBondContact O-CA 3.46Å; Y327-C331 WeakPolarHBondContact O-CB 3.25Å; Y327-C331 PolarHBondContact O-N 2.99Å; C331-S333 VanDerWaalsContact C-N 3.3Å; C331-S333 PolarHBondContact O-N 2.93Å; C331-E334 PolarHBondContact O-N 2.73Å; C331-V335 WeakPolarHBondContact O-CB 3.49Å; C331-V335 WeakPolarHBondContact O-CG2 3.39Å; C331-V335 PolarHBondContact O-N 3.15Å
332T97.8Very high97.6Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-64.8-37.5-178.554.70000111.8H328 V329 V335 A336 R376 G380 F383H328-T332 WeakPolarHBondContact O-CB 3.34Å; H328-T332 VanDerWaalsContact O-CG2 3.3Å; H328-T332 WeakPolarHBondContact O-CG2 3.35Å; H328-T332 PolarHBondContact O-N 2.94Å; H328-T332 PolarHBondContact O-OG1 3.38Å; V329-T332 PolarHBondContact O-OG1 3.17Å; T332-V335 PolarHBondContact O-N 2.96Å; T332-A336 PolarHBondContact O-N 3.19Å; T332-R376 WeakPolarHBondContact CB-O 3.24Å; T332-R376 HydrophobicContact CG2-CB 3.86Å; T332-R376 HydrophobicContact CG2-CG 3.9Å; T332-G380 WeakPolarHBondContact O-CA 3.28Å; T332-F383 WeakPolarHBondContact OG1-CD2 3.18Å; T332-F383 WeakPolarHBondContact OG1-CE2 3.4Å
333S98.4Very high97.6Very high2 Ų226.8 Ų26.81%0.01415%0.15CC..Hα-helixtrans-60.7-48.7175.4-59.20000112.1V329 L330 C331 A336 S337 L384V329-S333 VanDerWaalsContact O-CB 3.28Å; V329-S333 WeakPolarHBondContact O-CB 3.39Å; V329-S333 PolarHBondContact O-N 2.82Å; V329-S333 VanDerWaalsContact O-N 3.09Å; V329-S333 PolarHBondContact O-OG 3.29Å; L330-S333 PolarHBondContact O-N 3.11Å; C331-S333 VanDerWaalsContact C-N 3.3Å; C331-S333 PolarHBondContact O-N 2.93Å; S333-A336 PolarHBondContact O-N 2.76Å; S333-S337 PolarHBondContact O-N 3.2Å; S333-L384 WeakPolarHBondContact O-CD1 3.47Å
334E98.3Very high97.5Very high33 Ų3327 Ų2715%0.15415%0.153CC..Hα-helixtrans-67.6-36.2176.3-74.2-161.9-132.100112.3V224 N225 S226 L330 C331 A336 S337 N338V224-E334 HydrophobicContact CG1-CB 4.15Å; V224-E334 HydrophobicContact CG1-CG 4.14Å; V224-E334 WeakPolarHBondContact CG1-OE1 3.43Å; N225-E334 WeakPolarHBondContact CB-OE2 3.46Å; N225-E334 PolarHBondContact N-OE2 2.8Å; S226-E334 VanDerWaalsContact CB-OE1 3.25Å; S226-E334 WeakPolarHBondContact CB-OE1 3.41Å; S226-E334 PolarHBondContact N-OE2 2.95Å; S226-E334 PolarHBondContact OG-OE1 3.1Å; L330-E334 PolarHBondContact O-N 2.99Å; C331-E334 PolarHBondContact O-N 2.73Å; E334-A336 PolarHBondContact O-N 2.99Å; E334-S337 PolarHBondContact O-N 3.12Å; E334-N338 VanDerWaalsContact O-CB 3.29Å; E334-N338 WeakPolarHBondContact O-CB 3.26Å; E334-N338 VanDerWaalsContact O-CG 3.29Å; E334-N338 PolarHBondContact O-N 3.19Å; E334-N338 PolarHBondContact O-ND2 2.81Å
335V98.1Very high97.5Very high0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-59.5-44.5174.7162.80000111.7M126 L223 C331 T332 S337 N338 M339 R376 I377M126-V335 HydrophobicContact CE-CB 4.36Å; M126-V335 HydrophobicContact CE-CG1 3.61Å; M126-V335 HydrophobicContact CE-CG2 3.74Å; M126-V335 HydrophobicContact SD-CG1 4.33Å; L223-V335 HydrophobicContact CD1-CG2 3.47Å; L223-V335 VanDerWaalsContact CD1-CG2 3.47Å; L223-V335 HydrophobicContact CG-CG2 4.48Å; C331-V335 WeakPolarHBondContact O-CB 3.49Å; C331-V335 WeakPolarHBondContact O-CG2 3.39Å; C331-V335 PolarHBondContact O-N 3.15Å; T332-V335 PolarHBondContact O-N 2.96Å; V335-S337 PolarHBondContact O-N 3.4Å; V335-N338 PolarHBondContact O-N 3.05Å; V335-M339 HydrophobicContact CG1-CG 3.81Å; V335-M339 VanDerWaalsContact O-CB 3.23Å; V335-M339 WeakPolarHBondContact O-CB 3.48Å; V335-M339 WeakPolarHBondContact O-CG 3.46Å; V335-M339 PolarHBondContact O-N 3.26Å; V335-R376 HydrophobicContact CG1-CB 3.93Å; V335-I377 HydrophobicContact CG1-CG1 3.99Å
336A97.9Very high97.4Very high7 Ų733.2 Ų33.26%0.05818%0.177CC..Hα-helixtrans-56.8-40.8177.900000111.8T332 S333 E334 L384T332-A336 PolarHBondContact O-N 3.19Å; S333-A336 PolarHBondContact O-N 2.76Å; E334-A336 PolarHBondContact O-N 2.99Å; A336-L384 HydrophobicContact CB-CD1 4.47Å
337S97.4Very high97.3Very high85 Ų8536 Ų3659%0.59419%0.187SC*.Hα-helixtrans-73.8-50.7175.6-176.40000112.7S333 E334 V335 M339 A340S333-S337 PolarHBondContact O-N 3.2Å; E334-S337 PolarHBondContact O-N 3.12Å; V335-S337 PolarHBondContact O-N 3.4Å; S337-M339 VanDerWaalsContact C-N 3.32Å; S337-M339 PolarHBondContact O-N 3.36Å; S337-A340 VanDerWaalsContact O-CB 3.27Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 3.41Å; S337-A340 VanDerWaalsContact O-N 3.16Å
338N97.6Very high97.3Very high8 Ų836.7 Ų36.74%0.04320%0.199CC..Hα-helixtrans-61.4-40.8-175.3-77.8-28.5000112.5P222 L223 N225 E334 V335 A340 R341P222-N338 HydrophobicContact CG-CB 4.37Å; L223-N338 PolarHBondContact O-ND2 2.99Å; L223-N338 VanDerWaalsContact O-ND2 3.09Å; N225-N338 PolarHBondContact ND2-ND2 2.84Å; N225-N338 PolarHBondContact ND2-OD1 3.42Å; E334-N338 VanDerWaalsContact O-CB 3.29Å; E334-N338 WeakPolarHBondContact O-CB 3.26Å; E334-N338 VanDerWaalsContact O-CG 3.29Å; E334-N338 PolarHBondContact O-N 3.19Å; E334-N338 PolarHBondContact O-ND2 2.81Å; V335-N338 PolarHBondContact O-N 3.05Å; N338-A340 VanDerWaalsContact C-N 3.28Å; N338-A340 PolarHBondContact O-N 3.34Å; N338-R341 WeakPolarHBondContact O-CG 3.42Å; N338-R341 PolarHBondContact O-NE 2.89Å
339M97.4Very high97.4Very high1 Ų137.4 Ų37.41%0.00520%0.203CC..G310 helixtrans-79-8.7-177.8-60.6-63.7129.200113F124 M126 P222 V335 S337 R341 F342 R365 F369 I377F124-M339 HydrophobicContact CB-CE 4.47Å; F124-M339 HydrophobicContact CD1-CE 4.03Å; F124-M339 HydrophobicContact CD1-SD 3.97Å; F124-M339 HydrophobicContact CD2-SD 4.46Å; F124-M339 HydrophobicContact CE1-SD 4.26Å; F124-M339 HydrophobicContact CG-CE 4.38Å; F124-M339 HydrophobicContact CG-SD 4.08Å; M126-M339 HydrophobicContact CE-CE 3.99Å; M126-M339 HydrophobicContact CE-CG 4.22Å; M126-M339 HydrophobicContact CE-SD 4.13Å; P222-M339 WeakPolarHBondContact O-CE 3.35Å; V335-M339 HydrophobicContact CG1-CG 3.81Å; V335-M339 VanDerWaalsContact O-CB 3.23Å; V335-M339 WeakPolarHBondContact O-CB 3.48Å; V335-M339 WeakPolarHBondContact O-CG 3.46Å; V335-M339 PolarHBondContact O-N 3.26Å; S337-M339 VanDerWaalsContact C-N 3.32Å; S337-M339 PolarHBondContact O-N 3.36Å; M339-R341 PolarHBondContact O-N 3.39Å; M339-F342 HydrophobicContact CB-CD2 4.29Å; M339-F342 HydrophobicContact CE-CE2 4.16Å; M339-F342 WeakPolarHBondContact O-CD2 3.49Å; M339-F342 PolarHBondContact O-N 3.45Å; M339-F342 HydrophobicContact SD-CD2 3.83Å; M339-F342 HydrophobicContact SD-CE2 3.55Å; M339-F342 VanDerWaalsContact SD-CE2 3.55Å; M339-R365 PolarHBondContact O-NH1 3.19Å; M339-F369 HydrophobicContact CB-CZ 4.38Å; M339-F369 HydrophobicContact SD-CE1 4.49Å; M339-I377 HydrophobicContact CB-CD1 3.97Å; M339-I377 HydrophobicContact CB-CG1 4.1Å; M339-I377 HydrophobicContact CG-CD1 4.38Å; M339-I377 HydrophobicContact CG-CG1 4.36Å
340A97.1Very high97.3Very high59 Ų5942.9 Ų42.949%0.48822%0.221SC..G310 helixtrans-62.6-25.6-179.400000113S337 N338 F342S337-A340 VanDerWaalsContact O-CB 3.27Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 3.41Å; S337-A340 VanDerWaalsContact O-N 3.16Å; N338-A340 VanDerWaalsContact C-N 3.28Å; N338-A340 PolarHBondContact O-N 3.34Å; A340-F342 PolarHBondContact O-N 2.99Å
341R97.3Very high97.3Very high123 Ų12343 Ų4346%0.46422%0.222SC..G310 helixtrans-67.8-16.8178.573.3-176.474.4-160.8-0.6114.9N338 M339 D343 Y347N338-R341 WeakPolarHBondContact O-CG 3.42Å; N338-R341 PolarHBondContact O-NE 2.89Å; M339-R341 PolarHBondContact O-N 3.39Å; R341-D343 PolarHBondContact O-N 3.37Å; R341-Y347 WeakPolarHBondContact CD-OH 3.42Å; R341-Y347 WeakPolarHBondContact CG-OH 3.38Å
342F98.1Very high97.2Very high8 Ų850.9 Ų50.94%0.03526%0.264CS..  trans-92.693.1-178.3-57.1-68.2000108.9M92 L93 F124 I221 M339 A340 Y347 R365 F369M92-F342 HydrophobicContact CE-CB 4.29Å; M92-F342 HydrophobicContact CG-CB 3.71Å; M92-F342 HydrophobicContact CG-CD1 4.21Å; M92-F342 HydrophobicContact CG-CG 4.05Å; M92-F342 HydrophobicContact SD-CB 3.87Å; L93-F342 HydrophobicContact CD1-CE1 3.87Å; L93-F342 HydrophobicContact CD1-CZ 4.32Å; L93-F342 HydrophobicContact CD2-CD1 3.95Å; L93-F342 HydrophobicContact CD2-CE1 3.79Å; L93-F342 HydrophobicContact CG-CD1 4.41Å; L93-F342 HydrophobicContact CG-CE1 4.13Å; F124-F342 HydrophobicContact CD1-CE2 4.5Å; F124-F342 HydrophobicContact CE1-CD2 4.44Å; F124-F342 HydrophobicContact CE1-CE1 4.26Å; F124-F342 AromaticContact CE1-CE2 3.73Å; F124-F342 HydrophobicContact CE1-CE2 3.73Å; F124-F342 AromaticContact CE1-CZ 3.62Å; F124-F342 HydrophobicContact CE1-CZ 3.62Å; F124-F342 HydrophobicContact CZ-CD2 4.37Å; F124-F342 HydrophobicContact CZ-CE1 4.39Å; F124-F342 HydrophobicContact CZ-CE2 4.1Å; F124-F342 HydrophobicContact CZ-CZ 4.11Å; I221-F342 HydrophobicContact CG2-CZ 4.05Å; M339-F342 HydrophobicContact CB-CD2 4.29Å; M339-F342 HydrophobicContact CE-CE2 4.16Å; M339-F342 WeakPolarHBondContact O-CD2 3.49Å; M339-F342 PolarHBondContact O-N 3.45Å; M339-F342 HydrophobicContact SD-CD2 3.83Å; M339-F342 HydrophobicContact SD-CE2 3.55Å; M339-F342 VanDerWaalsContact SD-CE2 3.55Å; A340-F342 PolarHBondContact O-N 2.99Å; F342-Y347 AromaticContact CD1-CE2 3.7Å; F342-Y347 HydrophobicContact CD1-CE2 3.7Å; F342-Y347 AromaticContact CE1-CE2 3.73Å; F342-Y347 HydrophobicContact CE1-CE2 3.73Å; F342-R365 WeakPolarHBondContact O-CG 3.35Å; F342-R365 PolarHBondContact O-NH1 3.46Å; F342-F369 HydrophobicContact CB-CE1 4.45Å; F342-F369 HydrophobicContact CB-CE2 4.41Å; F342-F369 HydrophobicContact CB-CZ 3.67Å; F342-F369 HydrophobicContact CD2-CE1 4.33Å; F342-F369 AromaticContact CD2-CZ 3.89Å; F342-F369 HydrophobicContact CD2-CZ 3.89Å; F342-F369 HydrophobicContact CG-CZ 4.1Å
343D96.9Very high97Very high35 Ų3554.4 Ų54.419%0.18728%0.283CS..SBendtrans-130.3-5-169.965.95.7000113.6R341 L345 Y361R341-D343 PolarHBondContact O-N 3.37Å; D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 WeakPolarHBondContact OD1-CB 3.5Å; D343-L345 PolarHBondContact OD1-N 3.15Å; D343-Y361 HydrophobicContact CB-CD1 3.7Å; D343-Y361 HydrophobicContact CB-CE1 3.63Å; D343-Y361 WeakPolarHBondContact O-CD1 3.5Å
344G96.1Very high96.7Very high6 Ų662 Ų626%0.06232%0.323CS..SBendtrans77.110.4-179.900000115.2H349 R350G344-H349 WeakPolarHBondContact CA-O 3.44Å; G344-R350 VanDerWaalsContact O-CD 3.31Å; G344-R350 WeakPolarHBondContact O-CD 3.38Å; G344-R350 WeakPolarHBondContact O-CG 3.44Å
345L95.1Very high96.5Very high78 Ų7866.5 Ų66.541%0.40835%0.352SS..SBendtrans-85-53.2177.8-73.3-178.6000113D343 M360 Y361D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 WeakPolarHBondContact OD1-CB 3.5Å; D343-L345 PolarHBondContact OD1-N 3.15Å; L345-M360 HydrophobicContact CD2-CE 3.8Å; L345-M360 HydrophobicContact CG-CE 4.24Å; L345-Y361 HydrophobicContact CD1-CE1 3.73Å; L345-Y361 WeakPolarHBondContact CD1-OH 3.29Å; L345-Y361 HydrophobicContact CG-CE1 3.86Å
346Q95.1Very high96.5Very high170 Ų17068.9 Ų68.979%0.79437%0.369SS*.SBendtrans-92.1-34.5-173.3-66.2-174-9.400112.7
347Y96.8Very high96.3Very high65 Ų6572.2 Ų72.226%0.25539%0.389SS..SBendtrans-164.5167.8-17657-93.8000110.8L93 Y96 R341 F342L93-Y347 HydrophobicContact CD2-CD2 3.9Å; L93-Y347 HydrophobicContact CD2-CE2 3.99Å; Y96-Y347 HydrophobicContact CD2-CD2 4.16Å; Y96-Y347 HydrophobicContact CD2-CG 4.26Å; Y96-Y347 HydrophobicContact CE2-CD2 4.17Å; Y96-Y347 HydrophobicContact CE2-CG 4.09Å; R341-Y347 WeakPolarHBondContact CD-OH 3.42Å; R341-Y347 WeakPolarHBondContact CG-OH 3.38Å; F342-Y347 AromaticContact CD1-CE2 3.7Å; F342-Y347 HydrophobicContact CD1-CE2 3.7Å; F342-Y347 AromaticContact CE1-CE2 3.73Å; F342-Y347 HydrophobicContact CE1-CE2 3.73Å
348G97Very high96.3Very high30 Ų3074.6 Ų74.631%0.30939%0.391SS..SBendtrans79.9-163.5177.200000113.6M92M92-G348 CarbonylContact O-C 3.56Å; M92-G348 WeakPolarHBondContact O-CA 3.45Å
349H98.1Very high96.2Very high53 Ų5375.8 Ų75.825%0.24540%0.401CS..  trans-62.3140.9179.4-177.561000111.3M92 G344 T364 E367M92-H349 PolarHBondContact O-N 3.19Å; M92-H349 HydrophobicContact SD-CB 4.2Å; G344-H349 WeakPolarHBondContact CA-O 3.44Å; H349-T364 WeakPolarHBondContact O-CG2 3.31Å; H349-E367 IonicContact CD2-OE2 3.82Å; H349-E367 IonicContact CE1-OE2 3.39Å; H349-E367 WeakPolarHBondContact NE2-CB 3.47Å; H349-E367 IonicContact NE2-OE2 3.87Å; H349-E367 PolarHBondContact NE2-OE2 3.03Å
350R97.5Very high96.2Very high132 Ų13276.3 Ų76.350%0.49840%0.404SS..  trans-136.5127.9169.9-172.9-177.7-176.7148.1-3.4108.1G344 M360G344-R350 VanDerWaalsContact O-CD 3.31Å; G344-R350 WeakPolarHBondContact O-CD 3.38Å; G344-R350 WeakPolarHBondContact O-CG 3.44Å; R350-M360 PolarHBondContact NE-SD 2.89Å; R350-M360 PolarHBondContact NH2-SD 3.26Å
351C96.8Very high96.3Very high6 Ų677.3 Ų77.34%0.04140%0.396CS..  trans-69.8158.4175.269.70000111.6I353 M360 A363 T364 E367C351-I353 VanDerWaalsContact C-N 3.27Å; C351-I353 PolarHBondContact O-N 3.47Å; C351-M360 PolarHBondContact SG-O 3.27Å; C351-A363 HydrophobicContact CB-CB 4.01Å; C351-T364 PolarHBondContact N-OG1 3.09Å; C351-T364 PolarHBondContact SG-OG1 2.77Å; C351-E367 WeakPolarHBondContact CA-OE2 3.35Å; C351-E367 WeakPolarHBondContact CB-OE1 3.43Å; C351-E367 WeakPolarHBondContact CB-OE2 3.42Å
352D95.8Very high96.2Very high167 Ų16774.5 Ų74.589%0.89340%0.399SS*.  trans-81.7-1.3176-65.3-39.4000113.7N354D352-N354 PolarHBondContact O-N 3.06Å
353I93.6Very high96.2Very high75 Ų7574.8 Ų74.839%0.38540%0.403SS..  trans-66.3124.7-179.8-62.2-166.3000110.8C351 V355 A359 A363C351-I353 VanDerWaalsContact C-N 3.27Å; C351-I353 PolarHBondContact O-N 3.47Å; I353-V355 HydrophobicContact CG2-CB 4.21Å; I353-V355 HydrophobicContact CG2-CG2 3.94Å; I353-A359 HydrophobicContact CG2-CB 4.27Å; I353-A363 HydrophobicContact CB-CB 4.44Å; I353-A363 HydrophobicContact CD1-CB 3.55Å; I353-A363 HydrophobicContact CG1-CB 4.14Å
354N92.4Very high96.3Very high162 Ų16273.1 Ų73.187%0.86639%0.394SS*.  trans-124.957.2179.5-167.423.9000111.9D352D352-N354 PolarHBondContact O-N 3.06Å
355V95Very high96.4Very high126 Ų12675.1 Ų75.176%0.76440%0.399SS*.SBendtrans-103.7-53.9179.7176.40000111.2I353 A359I353-V355 HydrophobicContact CG2-CB 4.21Å; I353-V355 HydrophobicContact CG2-CG2 3.94Å; V355-A359 HydrophobicContact CB-CB 4.22Å
356S96.6Very high96.5Very high50 Ų5078.8 Ų78.835%0.3541%0.408SS..  trans-152166.9171.886.40000109.2E358 A359 M360S356-E358 VanDerWaalsContact C-N 3.3Å; S356-E358 WeakPolarHBondContact CB-OE2 3.49Å; S356-E358 PolarHBondContact O-N 2.92Å; S356-E358 PolarHBondContact OG-N 3.4Å; S356-E358 PolarHBondContact OG-OE2 3Å; S356-A359 PolarHBondContact O-N 3.42Å; S356-A359 PolarHBondContact OG-N 2.94Å; S356-A359 VanDerWaalsContact OG-N 3.16Å; S356-M360 WeakPolarHBondContact O-CB 3.43Å; S356-M360 PolarHBondContact O-N 2.79Å
357T95Very high96.6Very high78 Ų7874.9 Ų74.948%0.47939%0.39SS..Hα-helixtrans-61.1-39.9175.6-56.10000111.7M360 Y361T357-M360 PolarHBondContact O-N 3.02Å; T357-Y361 HydrophobicContact CG2-CD2 4.02Å; T357-Y361 HydrophobicContact CG2-CE1 4.35Å; T357-Y361 HydrophobicContact CG2-CE2 3.5Å; T357-Y361 VanDerWaalsContact CG2-CE2 3.5Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.56Å
358E96.2Very high96.7Very high135 Ų13571.9 Ų71.963%0.63138%0.378SS*.Hα-helixtrans-64.9-44177.8-58.373.8-161.800111.6S356 M360 Y361 A362S356-E358 VanDerWaalsContact C-N 3.3Å; S356-E358 WeakPolarHBondContact CB-OE2 3.49Å; S356-E358 PolarHBondContact O-N 2.92Å; S356-E358 PolarHBondContact OG-N 3.4Å; S356-E358 PolarHBondContact OG-OE2 3Å; E358-M360 VanDerWaalsContact C-N 3.33Å; E358-M360 PolarHBondContact O-N 2.91Å; E358-Y361 PolarHBondContact O-N 2.84Å; E358-A362 WeakPolarHBondContact O-CB 3.2Å; E358-A362 PolarHBondContact O-N 3.29Å
359A96.9Very high96.8Very high33 Ų3370.7 Ų70.727%0.27336%0.364SS..Hα-helixtrans-62.8-42.2176.600000111.1I353 V355 S356 A362 A363I353-A359 HydrophobicContact CG2-CB 4.27Å; V355-A359 HydrophobicContact CB-CB 4.22Å; S356-A359 PolarHBondContact O-N 3.42Å; S356-A359 PolarHBondContact OG-N 2.94Å; S356-A359 VanDerWaalsContact OG-N 3.16Å; A359-A362 PolarHBondContact O-N 3.45Å; A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.32Å; A359-A363 PolarHBondContact O-N 3.26Å
360M97.6Very high96.7Very high12 Ų1269.9 Ų69.96%0.05936%0.362CS..Hα-helixtrans-62.6-46.4176.3-175.6-152.875.100111.7L345 R350 C351 S356 T357 E358 A363 T364L345-M360 HydrophobicContact CD2-CE 3.8Å; L345-M360 HydrophobicContact CG-CE 4.24Å; R350-M360 PolarHBondContact NE-SD 2.89Å; R350-M360 PolarHBondContact NH2-SD 3.26Å; C351-M360 PolarHBondContact SG-O 3.27Å; S356-M360 WeakPolarHBondContact O-CB 3.43Å; S356-M360 PolarHBondContact O-N 2.79Å; T357-M360 PolarHBondContact O-N 3.02Å; E358-M360 VanDerWaalsContact C-N 3.33Å; E358-M360 PolarHBondContact O-N 2.91Å; M360-A363 PolarHBondContact O-N 3.22Å; M360-T364 WeakPolarHBondContact O-CB 3.38Å; M360-T364 PolarHBondContact O-N 3.35Å; M360-T364 PolarHBondContact O-OG1 3.35Å
361Y97.7Very high96.7Very high79 Ų7968.9 Ų68.931%0.3137%0.366SS..Hα-helixtrans-61.2-46.3176.4-70.9-32.5000112.3D343 L345 T357 E358 R365D343-Y361 HydrophobicContact CB-CD1 3.7Å; D343-Y361 HydrophobicContact CB-CE1 3.63Å; D343-Y361 WeakPolarHBondContact O-CD1 3.5Å; L345-Y361 HydrophobicContact CD1-CE1 3.73Å; L345-Y361 WeakPolarHBondContact CD1-OH 3.29Å; L345-Y361 HydrophobicContact CG-CE1 3.86Å; T357-Y361 HydrophobicContact CG2-CD2 4.02Å; T357-Y361 HydrophobicContact CG2-CE1 4.35Å; T357-Y361 HydrophobicContact CG2-CE2 3.5Å; T357-Y361 VanDerWaalsContact CG2-CE2 3.5Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.56Å; E358-Y361 PolarHBondContact O-N 2.84Å; Y361-R365 WeakPolarHBondContact O-CB 3.17Å; Y361-R365 WeakPolarHBondContact O-CD 3.41Å; Y361-R365 VanDerWaalsContact O-CG 3.23Å; Y361-R365 WeakPolarHBondContact O-CG 3.27Å; Y361-R365 PolarHBondContact O-N 3.12Å; Y361-R365 VanDerWaalsContact O-N 3.08Å
362A96.8Very high96.6Very high64 Ų6469.9 Ų69.953%0.52937%0.372SS..Hα-helixtrans-62.1-46.5-179.600000111.4E358 A359 R366E358-A362 WeakPolarHBondContact O-CB 3.2Å; E358-A362 PolarHBondContact O-N 3.29Å; A359-A362 PolarHBondContact O-N 3.45Å; A362-R366 VanDerWaalsContact O-CB 3.24Å; A362-R366 WeakPolarHBondContact O-CB 3.44Å; A362-R366 PolarHBondContact O-N 3.3Å
363A97.9Very high96.7Very high14 Ų1462 Ų6212%0.11633%0.33CS..Hα-helixtrans-68-45.4179.600000112.4C351 I353 A359 M360 R365 R366 E367C351-A363 HydrophobicContact CB-CB 4.01Å; I353-A363 HydrophobicContact CB-CB 4.44Å; I353-A363 HydrophobicContact CD1-CB 3.55Å; I353-A363 HydrophobicContact CG1-CB 4.14Å; A359-A363 VanDerWaalsContact O-CB 3.29Å; A359-A363 WeakPolarHBondContact O-CB 3.32Å; A359-A363 PolarHBondContact O-N 3.26Å; M360-A363 PolarHBondContact O-N 3.22Å; A363-R365 VanDerWaalsContact C-N 3.29Å; A363-R365 PolarHBondContact O-N 3.22Å; A363-R366 CarbonylContact O-C 3.58Å; A363-R366 PolarHBondContact O-N 3.27Å; A363-R366 VanDerWaalsContact O-N 3.07Å; A363-E367 WeakPolarHBondContact O-CB 3.44Å; A363-E367 WeakPolarHBondContact O-CG 3.45Å; A363-E367 PolarHBondContact O-N 3.16Å
364T98.4Very high96.9Very high0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-53.7-47.2175.2-64.60000111.4M92 H349 C351 M360 E367 G368M92-T364 HydrophobicContact CE-CG2 4.27Å; M92-T364 HydrophobicContact SD-CG2 4.43Å; H349-T364 WeakPolarHBondContact O-CG2 3.31Å; C351-T364 PolarHBondContact N-OG1 3.09Å; C351-T364 PolarHBondContact SG-OG1 2.77Å; M360-T364 WeakPolarHBondContact O-CB 3.38Å; M360-T364 PolarHBondContact O-N 3.35Å; M360-T364 PolarHBondContact O-OG1 3.35Å; T364-E367 PolarHBondContact O-N 3.34Å; T364-G368 PolarHBondContact O-N 3.16Å
365R98.2Very high97.2Very high49 Ų4954.1 Ų54.119%0.18529%0.293CS..Hα-helixtrans-71.5-32.6179.4-65.5170.565.878-2.8112.7M92 M339 F342 Y361 A363 F369M92-R365 HydrophobicContact CE-CB 4.5Å; M92-R365 HydrophobicContact CE-CG 4.25Å; M339-R365 PolarHBondContact O-NH1 3.19Å; F342-R365 WeakPolarHBondContact O-CG 3.35Å; F342-R365 PolarHBondContact O-NH1 3.46Å; Y361-R365 WeakPolarHBondContact O-CB 3.17Å; Y361-R365 WeakPolarHBondContact O-CD 3.41Å; Y361-R365 VanDerWaalsContact O-CG 3.23Å; Y361-R365 WeakPolarHBondContact O-CG 3.27Å; Y361-R365 PolarHBondContact O-N 3.12Å; Y361-R365 VanDerWaalsContact O-N 3.08Å; A363-R365 VanDerWaalsContact C-N 3.29Å; A363-R365 PolarHBondContact O-N 3.22Å; R365-F369 HydrophobicContact CB-CD2 4.06Å; R365-F369 HydrophobicContact CB-CE2 4.19Å; R365-F369 HydrophobicContact CG-CD2 4.48Å; R365-F369 HydrophobicContact CG-CE2 4.11Å; R365-F369 WeakPolarHBondContact O-CB 3.46Å; R365-F369 WeakPolarHBondContact O-CD2 3.31Å; R365-F369 PolarHBondContact O-N 3.43Å
366R97.5Very high97.3Very high155 Ų15549.5 Ų49.559%0.58526%0.262SS*.Hα-helixtrans-70.4-33.3174.8-179.663.5179.9172.93.1112.3A362 A363 D371 R374A362-R366 VanDerWaalsContact O-CB 3.24Å; A362-R366 WeakPolarHBondContact O-CB 3.44Å; A362-R366 PolarHBondContact O-N 3.3Å; A363-R366 CarbonylContact O-C 3.58Å; A363-R366 PolarHBondContact O-N 3.27Å; A363-R366 VanDerWaalsContact O-N 3.07Å; R366-D371 IonicContact NH1-OD1 3.05Å; R366-R374 PolarHBondContact O-NH1 3.05Å
367E97.7Very high97.4Very high88 Ų8847.7 Ų47.741%0.41125%0.248SC..Hα-helixtrans-82.5-38.3178.1-69.8165-159.700111.5H349 C351 A363 T364H349-E367 IonicContact CD2-OE2 3.82Å; H349-E367 IonicContact CE1-OE2 3.39Å; H349-E367 WeakPolarHBondContact NE2-CB 3.47Å; H349-E367 IonicContact NE2-OE2 3.87Å; H349-E367 PolarHBondContact NE2-OE2 3.03Å; C351-E367 WeakPolarHBondContact CA-OE2 3.35Å; C351-E367 WeakPolarHBondContact CB-OE1 3.43Å; C351-E367 WeakPolarHBondContact CB-OE2 3.42Å; A363-E367 WeakPolarHBondContact O-CB 3.44Å; A363-E367 WeakPolarHBondContact O-CG 3.45Å; A363-E367 PolarHBondContact O-N 3.16Å; T364-E367 PolarHBondContact O-N 3.34Å
368G98.1Very high97.5Very high1 Ų149.9 Ų49.91%0.0126%0.256CS..Hα-helixtrans-80.4-34.7-172.800000115.6S90 N91 M92 T364S90-G368 PolarHBondContact OG-O 3.39Å; S90-G368 VanDerWaalsContact OG-O 3.09Å; N91-G368 WeakPolarHBondContact CB-O 3.44Å; N91-G368 PolarHBondContact N-O 3.23Å; M92-G368 PolarHBondContact N-O 2.92Å; T364-G368 PolarHBondContact O-N 3.16Å
369F98.4Very high97.6Very high5 Ų545.3 Ų45.32%0.02224%0.239CC..SBendtrans-101.8144-175.9-65.3-50.9000113.1M92 E123 F124 M339 F342 R365 V373 R374 I377M92-F369 HydrophobicContact CB-CD1 3.95Å; M92-F369 HydrophobicContact CB-CE1 3.8Å; M92-F369 HydrophobicContact CE-CD1 4.32Å; M92-F369 HydrophobicContact CE-CD2 3.88Å; M92-F369 HydrophobicContact CE-CE1 4.1Å; M92-F369 HydrophobicContact CE-CE2 3.63Å; M92-F369 HydrophobicContact CE-CG 4.23Å; M92-F369 HydrophobicContact CE-CZ 3.78Å; M92-F369 HydrophobicContact CG-CD1 4.25Å; M92-F369 HydrophobicContact CG-CE1 3.65Å; M92-F369 HydrophobicContact CG-CZ 3.93Å; E123-F369 WeakPolarHBondContact OE1-CA 3.4Å; F124-F369 HydrophobicContact CD2-CD1 4.15Å; F124-F369 AromaticContact CD2-CE1 3.99Å; F124-F369 HydrophobicContact CD2-CE1 3.99Å; F124-F369 AromaticContact CE2-CD1 3.71Å; F124-F369 HydrophobicContact CE2-CD1 3.71Å; F124-F369 AromaticContact CE2-CE1 3.36Å; F124-F369 HydrophobicContact CE2-CE1 3.36Å; F124-F369 AromaticContact CZ-CE1 3.89Å; F124-F369 HydrophobicContact CZ-CE1 3.89Å; M339-F369 HydrophobicContact CB-CZ 4.38Å; M339-F369 HydrophobicContact SD-CE1 4.49Å; F342-F369 HydrophobicContact CB-CE1 4.45Å; F342-F369 HydrophobicContact CB-CE2 4.41Å; F342-F369 HydrophobicContact CB-CZ 3.67Å; F342-F369 HydrophobicContact CD2-CE1 4.33Å; F342-F369 AromaticContact CD2-CZ 3.89Å; F342-F369 HydrophobicContact CD2-CZ 3.89Å; F342-F369 HydrophobicContact CG-CZ 4.1Å; R365-F369 HydrophobicContact CB-CD2 4.06Å; R365-F369 HydrophobicContact CB-CE2 4.19Å; R365-F369 HydrophobicContact CG-CD2 4.48Å; R365-F369 HydrophobicContact CG-CE2 4.11Å; R365-F369 WeakPolarHBondContact O-CB 3.46Å; R365-F369 WeakPolarHBondContact O-CD2 3.31Å; R365-F369 PolarHBondContact O-N 3.43Å; F369-V373 HydrophobicContact CB-CB 4.08Å; F369-V373 HydrophobicContact CB-CG1 3.99Å; F369-V373 HydrophobicContact CD1-CB 4.31Å; F369-V373 HydrophobicContact CD1-CG1 3.57Å; F369-V373 HydrophobicContact CD2-CG1 4.37Å; F369-V373 HydrophobicContact CE1-CG1 4.02Å; F369-V373 HydrophobicContact CG-CB 4.37Å; F369-V373 HydrophobicContact CG-CG1 3.75Å; F369-R374 HydrophobicContact CB-CG 3.95Å; F369-R374 VanDerWaalsContact O-CZ 3.24Å; F369-R374 PolarHBondContact O-NH1 2.92Å; F369-I377 HydrophobicContact CD2-CD1 4.14Å; F369-I377 HydrophobicContact CE2-CD1 4.1Å
370N96.7Very high97.7Very high37 Ų3743.8 Ų43.820%0.19823%0.227CC..  trans-72.4179.8168.875.914.8000113.7E123 D132 V372 V373 R374E123-N370 PolarHBondContact OE1-N 3.06Å; E123-N370 WeakPolarHBondContact OE2-CB 3.33Å; E123-N370 PolarHBondContact OE2-N 3.2Å; E123-N370 VanDerWaalsContact OE2-N 3.08Å; E123-N370 PolarHBondContact OE2-ND2 2.99Å; E123-N370 PolarHBondContact OE2-OD1 3.3Å; D132-N370 PolarHBondContact O-ND2 3.36Å; N370-V372 PolarHBondContact O-N 3.11Å; N370-V372 WeakPolarHBondContact OD1-CA 3.36Å; N370-V372 WeakPolarHBondContact OD1-CB 3.41Å; N370-V372 PolarHBondContact OD1-N 3.24Å; N370-V373 WeakPolarHBondContact OD1-CG2 3.32Å; N370-V373 PolarHBondContact OD1-N 3.23Å; N370-R374 WeakPolarHBondContact O-CB 3.29Å; N370-R374 VanDerWaalsContact O-CG 3.31Å; N370-R374 WeakPolarHBondContact O-CG 3.31Å; N370-R374 PolarHBondContact O-N 3.44Å; N370-R374 VanDerWaalsContact O-N 3.09Å
371D96.4Very high97.7Very high110 Ų11047.2 Ų47.259%0.58825%0.245SC*.Hα-helixtrans-67.3-30.1178.5-75.5-40.2000114.3R366 R374 G375R366-D371 IonicContact NH1-OD1 3.05Å; D371-R374 IonicContact OD1-CZ 2.75Å; D371-R374 IonicContact OD1-NE 3.6Å; D371-R374 PolarHBondContact OD1-NE 2.91Å; D371-R374 IonicContact OD1-NH2 3.8Å; D371-R374 PolarHBondContact OD1-NH2 3.12Å; D371-R374 IonicContact OD2-NH2 3.9Å; D371-G375 WeakPolarHBondContact O-CA 3.47Å; D371-G375 PolarHBondContact O-N 2.88Å
372V96.7Very high97.7Very high28 Ų2848 Ų4817%0.1725%0.25CS..Hα-helixtrans-65.2-50.8176.8177.50000110.2M126 N370 G375 R376 N438M126-V372 HydrophobicContact CB-CG1 4.02Å; M126-V372 WeakPolarHBondContact O-CG1 3.39Å; N370-V372 PolarHBondContact O-N 3.11Å; N370-V372 WeakPolarHBondContact OD1-CA 3.36Å; N370-V372 WeakPolarHBondContact OD1-CB 3.41Å; N370-V372 PolarHBondContact OD1-N 3.24Å; V372-G375 PolarHBondContact O-N 2.93Å; V372-R376 WeakPolarHBondContact O-CG 3.05Å; V372-R376 PolarHBondContact O-N 2.91Å; V372-N438 HydrophobicContact CG1-CB 4.23Å; V372-N438 WeakPolarHBondContact CG1-OD1 3.46Å; V372-N438 HydrophobicContact CG2-CB 3.75Å
373V97.8Very high97.8Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-63.2-47.7-179.91780000110.2E123 F124 M126 F369 N370 G375 R376 I377E123-V373 HydrophobicContact CB-CG2 4.26Å; E123-V373 HydrophobicContact CG-CG2 4.03Å; F124-V373 HydrophobicContact CB-CG2 4.5Å; F124-V373 HydrophobicContact CD2-CG2 4.24Å; M126-V373 HydrophobicContact CE-CG1 4.15Å; M126-V373 HydrophobicContact CE-CG2 4.38Å; M126-V373 HydrophobicContact SD-CB 4.11Å; M126-V373 HydrophobicContact SD-CG1 4.22Å; M126-V373 HydrophobicContact SD-CG2 3.75Å; F369-V373 HydrophobicContact CB-CB 4.08Å; F369-V373 HydrophobicContact CB-CG1 3.99Å; F369-V373 HydrophobicContact CD1-CB 4.31Å; F369-V373 HydrophobicContact CD1-CG1 3.57Å; F369-V373 HydrophobicContact CD2-CG1 4.37Å; F369-V373 HydrophobicContact CE1-CG1 4.02Å; F369-V373 HydrophobicContact CG-CB 4.37Å; F369-V373 HydrophobicContact CG-CG1 3.75Å; N370-V373 WeakPolarHBondContact OD1-CG2 3.32Å; N370-V373 PolarHBondContact OD1-N 3.23Å; V373-G375 PolarHBondContact O-N 3.11Å; V373-R376 PolarHBondContact O-N 3.5Å; V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 WeakPolarHBondContact O-CD1 3.27Å; V373-I377 WeakPolarHBondContact O-CG1 3.04Å; V373-I377 PolarHBondContact O-N 3.41Å
374R97.7Very high97.8Very high42 Ų4248 Ų4816%0.15824%0.238CC..Hα-helixtrans-60-43.6176-72.1-171.6-65.1-116.16.2112.5R366 F369 N370 D371 R376 I377 L378R366-R374 PolarHBondContact O-NH1 3.05Å; F369-R374 HydrophobicContact CB-CG 3.95Å; F369-R374 VanDerWaalsContact O-CZ 3.24Å; F369-R374 PolarHBondContact O-NH1 2.92Å; N370-R374 WeakPolarHBondContact O-CB 3.29Å; N370-R374 VanDerWaalsContact O-CG 3.31Å; N370-R374 WeakPolarHBondContact O-CG 3.31Å; N370-R374 PolarHBondContact O-N 3.44Å; N370-R374 VanDerWaalsContact O-N 3.09Å; D371-R374 IonicContact OD1-CZ 2.75Å; D371-R374 IonicContact OD1-NE 3.6Å; D371-R374 PolarHBondContact OD1-NE 2.91Å; D371-R374 IonicContact OD1-NH2 3.8Å; D371-R374 PolarHBondContact OD1-NH2 3.12Å; D371-R374 IonicContact OD2-NH2 3.9Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R374-R376 PolarHBondContact O-N 3.29Å; R374-I377 PolarHBondContact O-N 2.92Å; R374-L378 WeakPolarHBondContact O-CG 3.25Å; R374-L378 PolarHBondContact O-N 3.28Å
375G97.4Very high97.8Very high31 Ų3152.5 Ų52.532%0.3226%0.262SS..Hα-helixtrans-59.2-44.2177.800000111.9D371 V372 V373 L378 S379D371-G375 WeakPolarHBondContact O-CA 3.47Å; D371-G375 PolarHBondContact O-N 2.88Å; V372-G375 PolarHBondContact O-N 2.93Å; V373-G375 PolarHBondContact O-N 3.11Å; G375-L378 PolarHBondContact O-N 2.91Å; G375-S379 PolarHBondContact O-N 3.09Å; G375-S379 PolarHBondContact O-OG 2.87Å
376R97.8Very high97.7Very high28 Ų2859.8 Ų59.811%0.10630%0.295CS..Hα-helixtrans-66.5-38.4176.3-67.7-172.2-169-163.62.2112.6M126 T332 V335 V372 V373 R374 G380 N438M126-R376 HydrophobicContact SD-CB 4.38Å; M126-R376 HydrophobicContact SD-CG 4.46Å; T332-R376 WeakPolarHBondContact CB-O 3.24Å; T332-R376 HydrophobicContact CG2-CB 3.86Å; T332-R376 HydrophobicContact CG2-CG 3.9Å; V335-R376 HydrophobicContact CG1-CB 3.93Å; V372-R376 WeakPolarHBondContact O-CG 3.05Å; V372-R376 PolarHBondContact O-N 2.91Å; V373-R376 PolarHBondContact O-N 3.5Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R374-R376 PolarHBondContact O-N 3.29Å; R376-G380 PolarHBondContact O-N 3.3Å; R376-N438 PolarHBondContact NH2-OD1 2.98Å
377I98.4Very high97.7Very high13 Ų1360.6 Ų60.67%0.06731%0.305CS..Hα-helixtrans-61.4-46.5173.8-68.3158.5000110.8V335 M339 F369 V373 R374 G380 N381V335-I377 HydrophobicContact CG1-CG1 3.99Å; M339-I377 HydrophobicContact CB-CD1 3.97Å; M339-I377 HydrophobicContact CB-CG1 4.1Å; M339-I377 HydrophobicContact CG-CD1 4.38Å; M339-I377 HydrophobicContact CG-CG1 4.36Å; F369-I377 HydrophobicContact CD2-CD1 4.14Å; F369-I377 HydrophobicContact CE2-CD1 4.1Å; V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 WeakPolarHBondContact O-CD1 3.27Å; V373-I377 WeakPolarHBondContact O-CG1 3.04Å; V373-I377 PolarHBondContact O-N 3.41Å; R374-I377 PolarHBondContact O-N 2.92Å; I377-G380 PolarHBondContact O-N 2.92Å; I377-N381 PolarHBondContact O-N 3.34Å; I377-N381 PolarHBondContact O-ND2 3.25Å
378L97.9Very high97.7Very high123 Ų12357.6 Ų57.664%0.64429%0.292SS*.Hα-helixtrans-62.1-48.5179.4-71.4170.6000111.7R374 G375 G380 N381 F382R374-L378 WeakPolarHBondContact O-CG 3.25Å; R374-L378 PolarHBondContact O-N 3.28Å; G375-L378 PolarHBondContact O-N 2.91Å; L378-G380 VanDerWaalsContact C-N 3.33Å; L378-G380 PolarHBondContact O-N 3.34Å; L378-N381 PolarHBondContact O-N 2.79Å; L378-F382 PolarHBondContact O-N 3.27Å
379S97.5Very high97.7Very high40 Ų4061.8 Ų61.828%0.2831%0.308SS..Hα-helixtrans-60.8-41.7176.3-64.60000112.3G375 F382 F383G375-S379 PolarHBondContact O-N 3.09Å; G375-S379 PolarHBondContact O-OG 2.87Å; S379-F382 WeakPolarHBondContact O-CB 3.38Å; S379-F382 PolarHBondContact O-N 2.86Å; S379-F383 WeakPolarHBondContact O-CD2 3.33Å; S379-F383 WeakPolarHBondContact O-CG 3.25Å; S379-F383 PolarHBondContact O-N 3.46Å
380G98.1Very high97.7Very high0 Ų067.1 Ų67.10%033%0.333CS..Hα-helixtrans-62.5-46.6177.800000112.7T332 R376 I377 L378 F382 F383 L384T332-G380 WeakPolarHBondContact O-CA 3.28Å; R376-G380 PolarHBondContact O-N 3.3Å; I377-G380 PolarHBondContact O-N 2.92Å; L378-G380 VanDerWaalsContact C-N 3.33Å; L378-G380 PolarHBondContact O-N 3.34Å; G380-F382 VanDerWaalsContact C-N 3.28Å; G380-F382 PolarHBondContact O-N 3.36Å; G380-F383 PolarHBondContact O-N 2.84Å; G380-L384 WeakPolarHBondContact O-CB 3.21Å; G380-L384 VanDerWaalsContact O-CG 3.3Å; G380-L384 WeakPolarHBondContact O-CG 3.17Å; G380-L384 PolarHBondContact O-N 3.19Å
381N98.3Very high97.7Very high84 Ų8470.7 Ų70.745%0.44935%0.353SS..Hα-helixtrans-58.2-41.9174.4-77.7-28.3000111.4I377 L378 L384 L385I377-N381 PolarHBondContact O-N 3.34Å; I377-N381 PolarHBondContact O-ND2 3.25Å; L378-N381 PolarHBondContact O-N 2.79Å; N381-L384 PolarHBondContact O-N 3.43Å; N381-L385 WeakPolarHBondContact O-CG 3.21Å; N381-L385 PolarHBondContact O-N 3.17Å; N381-L385 VanDerWaalsContact O-N 3.11Å
382F98.4Very high97.8Very high96 Ų9670 Ų7042%0.42134%0.342SS..Hα-helixtrans-59.3-48.1175.5173.1-93000112.2L378 S379 G380 L384 L385 N388 Y392L378-F382 PolarHBondContact O-N 3.27Å; S379-F382 WeakPolarHBondContact O-CB 3.38Å; S379-F382 PolarHBondContact O-N 2.86Å; G380-F382 VanDerWaalsContact C-N 3.28Å; G380-F382 PolarHBondContact O-N 3.36Å; F382-L384 PolarHBondContact O-N 3.02Å; F382-L385 HydrophobicContact CD2-CD1 4.44Å; F382-L385 PolarHBondContact O-N 3.37Å; F382-N388 VanDerWaalsContact CE2-ND2 3.28Å; F382-N388 WeakPolarHBondContact CE2-ND2 3.47Å; F382-N388 VanDerWaalsContact CZ-ND2 3.32Å; F382-N388 WeakPolarHBondContact CZ-ND2 3.42Å; F382-N388 WeakPolarHBondContact O-CB 3.24Å; F382-N388 PolarHBondContact O-ND2 3.24Å; F382-Y392 HydrophobicContact CE1-CE2 4.1Å
383F98.3Very high97.9Very high20 Ų2070 Ų709%0.08834%0.34CS..Hα-helixtrans-66.9-25.1179.4-62.4-44.8000113.4V329 T332 S379 G380 Y389 Y392V329-F383 HydrophobicContact CB-CD2 4.4Å; V329-F383 HydrophobicContact CB-CE2 4.42Å; V329-F383 HydrophobicContact CG1-CB 4.4Å; V329-F383 HydrophobicContact CG1-CD2 4.12Å; V329-F383 HydrophobicContact CG1-CG 4.13Å; V329-F383 HydrophobicContact CG2-CD2 4.44Å; V329-F383 HydrophobicContact CG2-CE1 4.35Å; V329-F383 HydrophobicContact CG2-CE2 4.1Å; V329-F383 HydrophobicContact CG2-CZ 4.06Å; T332-F383 WeakPolarHBondContact OG1-CD2 3.18Å; T332-F383 WeakPolarHBondContact OG1-CE2 3.4Å; S379-F383 WeakPolarHBondContact O-CD2 3.33Å; S379-F383 WeakPolarHBondContact O-CG 3.25Å; S379-F383 PolarHBondContact O-N 3.46Å; G380-F383 PolarHBondContact O-N 2.84Å; F383-Y389 WeakPolarHBondContact O-CA 3.49Å; F383-Y392 AromaticContact CD1-CD1 3.57Å; F383-Y392 HydrophobicContact CD1-CD1 3.57Å; F383-Y392 HydrophobicContact CD1-CD2 4.18Å; F383-Y392 HydrophobicContact CD1-CE1 4.23Å; F383-Y392 AromaticContact CD1-CG 3.53Å; F383-Y392 HydrophobicContact CD1-CG 3.53Å; F383-Y392 AromaticContact CE1-CD1 3.57Å; F383-Y392 HydrophobicContact CE1-CD1 3.57Å; F383-Y392 AromaticContact CE1-CE1 3.93Å; F383-Y392 HydrophobicContact CE1-CE1 3.93Å; F383-Y392 HydrophobicContact CE1-CG 4.05Å
384L97.9Very high97.9Very high58 Ų5871.1 Ų71.130%0.30435%0.347SS..Hα-helixtrans-91.9-4.2-179.7-68.2175.5000114.2S333 A336 G380 N381 F382 Y389 F393S333-L384 WeakPolarHBondContact O-CD1 3.47Å; A336-L384 HydrophobicContact CB-CD1 4.47Å; G380-L384 WeakPolarHBondContact O-CB 3.21Å; G380-L384 VanDerWaalsContact O-CG 3.3Å; G380-L384 WeakPolarHBondContact O-CG 3.17Å; G380-L384 PolarHBondContact O-N 3.19Å; N381-L384 PolarHBondContact O-N 3.43Å; F382-L384 PolarHBondContact O-N 3.02Å; L384-Y389 HydrophobicContact CD2-CD2 3.91Å; L384-Y389 HydrophobicContact CD2-CE2 3.82Å; L384-F393 HydrophobicContact CD2-CB 4.4Å; L384-F393 HydrophobicContact CD2-CD2 4.18Å; L384-F393 HydrophobicContact CD2-CG 4.11Å
385L98Very high97.9Very high95 Ų9575 Ų7550%0.49737%0.365SS..SBendtrans-56.9142.9170.7-68.6176.2000110.2N381 F382 E387 N388 Y389N381-L385 WeakPolarHBondContact O-CG 3.21Å; N381-L385 PolarHBondContact O-N 3.17Å; N381-L385 VanDerWaalsContact O-N 3.11Å; F382-L385 HydrophobicContact CD2-CD1 4.44Å; F382-L385 PolarHBondContact O-N 3.37Å; L385-E387 PolarHBondContact O-N 3.03Å; L385-E387 VanDerWaalsContact O-N 3.1Å; L385-N388 HydrophobicContact CB-CB 4.29Å; L385-N388 CarbonylContact O-C 3.59Å; L385-N388 WeakPolarHBondContact O-CA 3.37Å; L385-N388 PolarHBondContact O-N 2.57Å; L385-Y389 PolarHBondContact O-N 2.91Å
386K97.4Very high98Very high201 Ų20173.8 Ų73.887%0.87435%0.352SS*.THydrogen-bonded Turntrans-50.4-40.6-177.6-176.9179.7177.1-177.10113.2N388K386-N388 VanDerWaalsContact C-N 3.32Å
387E97.1Very high98Very high172 Ų17276.9 Ų76.980%0.80437%0.368SS*.THydrogen-bonded Turntrans-72.8-23.9-179.6-63.5173.5-162.900113.2L385 N391L385-E387 PolarHBondContact O-N 3.03Å; L385-E387 VanDerWaalsContact O-N 3.1Å; E387-N391 PolarHBondContact O-ND2 3.09Å
388N97.9Very high98Very high26 Ų2682.2 Ų82.214%0.13939%0.391CS..THydrogen-bonded Turntrans-100.7-24.2-176.1-71.7-19.6000113.2F382 L385 K386 E390 N391 Y392F382-N388 VanDerWaalsContact CE2-ND2 3.28Å; F382-N388 WeakPolarHBondContact CE2-ND2 3.47Å; F382-N388 VanDerWaalsContact CZ-ND2 3.32Å; F382-N388 WeakPolarHBondContact CZ-ND2 3.42Å; F382-N388 WeakPolarHBondContact O-CB 3.24Å; F382-N388 PolarHBondContact O-ND2 3.24Å; L385-N388 HydrophobicContact CB-CB 4.29Å; L385-N388 CarbonylContact O-C 3.59Å; L385-N388 WeakPolarHBondContact O-CA 3.37Å; L385-N388 PolarHBondContact O-N 2.57Å; K386-N388 VanDerWaalsContact C-N 3.32Å; N388-E390 PolarHBondContact O-N 3.21Å; N388-N391 PolarHBondContact O-N 2.91Å; N388-Y392 HydrophobicContact CB-CD2 3.78Å; N388-Y392 HydrophobicContact CB-CE2 4.19Å; N388-Y392 WeakPolarHBondContact O-CD2 3.42Å; N388-Y392 PolarHBondContact O-N 3.19Å
389Y97.6Very high98Very high88 Ų8877.8 Ų77.835%0.34537%0.368SS..THydrogen-bonded Turntrans-52.2-49.4-168.4-173.6-96.2000113.7F383 L384 L385 F393 V394F383-Y389 WeakPolarHBondContact O-CA 3.49Å; L384-Y389 HydrophobicContact CD2-CD2 3.91Å; L384-Y389 HydrophobicContact CD2-CE2 3.82Å; L385-Y389 PolarHBondContact O-N 2.91Å; Y389-F393 HydrophobicContact CD2-CB 4.16Å; Y389-F393 HydrophobicContact CD2-CD1 4.18Å; Y389-F393 HydrophobicContact CD2-CG 4.46Å; Y389-F393 HydrophobicContact CE1-CD1 4.31Å; Y389-F393 HydrophobicContact CE2-CB 4.21Å; Y389-F393 AromaticContact CE2-CD1 3.39Å; Y389-F393 HydrophobicContact CE2-CD1 3.39Å; Y389-F393 HydrophobicContact CE2-CE1 4.02Å; Y389-F393 HydrophobicContact CE2-CG 4.03Å; Y389-F393 AromaticContact CZ-CD1 3.47Å; Y389-F393 VanDerWaalsContact CZ-CD1 3.47Å; Y389-F393 AromaticContact CZ-CE1 3.96Å; Y389-F393 PolarHBondContact O-N 2.78Å; Y389-F393 WeakPolarHBondContact OH-CD1 3.34Å; Y389-F393 WeakPolarHBondContact OH-CE1 3.44Å; Y389-V394 HydrophobicContact CD1-CG2 3.7Å; Y389-V394 HydrophobicContact CE1-CG2 3.42Å; Y389-V394 VanDerWaalsContact CE1-CG2 3.42Å; Y389-V394 PolarHBondContact O-N 2.83Å
390E98Very high98.1Very high117 Ų11778.4 Ų78.455%0.54736%0.364SS..Iπ-helixtrans-67.2-39178.9-71.9-61.3147.700112.5N388 K395N388-E390 PolarHBondContact O-N 3.21Å; E390-K395 PolarHBondContact O-N 3.1Å
391N97.3Very high98.1Very high113 Ų11386.4 Ų86.460%0.60440%0.395SS*.Iπ-helixtrans-73.6-32.4-175.2-68-34.7000112.7E387 N388 K395E387-N391 PolarHBondContact O-ND2 3.09Å; N388-N391 PolarHBondContact O-N 2.91Å; N391-K395 VanDerWaalsContact O-CB 3.24Å; N391-K395 WeakPolarHBondContact O-CB 3.36Å
392Y98.1Very high98.2Very high94 Ų9486 Ų8637%0.36939%0.392SS..Iπ-helixtrans-111.4-67.5-175.8-66-85.7000112.3F382 F383 N388 K395 A396F382-Y392 HydrophobicContact CE1-CE2 4.1Å; F383-Y392 AromaticContact CD1-CD1 3.57Å; F383-Y392 HydrophobicContact CD1-CD1 3.57Å; F383-Y392 HydrophobicContact CD1-CD2 4.18Å; F383-Y392 HydrophobicContact CD1-CE1 4.23Å; F383-Y392 AromaticContact CD1-CG 3.53Å; F383-Y392 HydrophobicContact CD1-CG 3.53Å; F383-Y392 AromaticContact CE1-CD1 3.57Å; F383-Y392 HydrophobicContact CE1-CD1 3.57Å; F383-Y392 AromaticContact CE1-CE1 3.93Å; F383-Y392 HydrophobicContact CE1-CE1 3.93Å; F383-Y392 HydrophobicContact CE1-CG 4.05Å; N388-Y392 HydrophobicContact CB-CD2 3.78Å; N388-Y392 HydrophobicContact CB-CE2 4.19Å; N388-Y392 WeakPolarHBondContact O-CD2 3.42Å; N388-Y392 PolarHBondContact O-N 3.19Å; Y392-K395 PolarHBondContact O-N 3.39Å; Y392-A396 VanDerWaalsContact O-CB 3.26Å; Y392-A396 WeakPolarHBondContact O-CB 3.22Å; Y392-A396 PolarHBondContact O-N 2.82Å
393F98.1Very high98.2Very high29 Ų2981.5 Ų81.513%0.12737%0.373CS..Iπ-helixtrans-66.5-50.7-170.7-176.6-104000112.3L330 L384 Y389 K395 A396 Q397L330-F393 HydrophobicContact CD2-CD2 4.03Å; L330-F393 HydrophobicContact CD2-CE2 3.87Å; L384-F393 HydrophobicContact CD2-CB 4.4Å; L384-F393 HydrophobicContact CD2-CD2 4.18Å; L384-F393 HydrophobicContact CD2-CG 4.11Å; Y389-F393 HydrophobicContact CD2-CB 4.16Å; Y389-F393 HydrophobicContact CD2-CD1 4.18Å; Y389-F393 HydrophobicContact CD2-CG 4.46Å; Y389-F393 HydrophobicContact CE1-CD1 4.31Å; Y389-F393 HydrophobicContact CE2-CB 4.21Å; Y389-F393 AromaticContact CE2-CD1 3.39Å; Y389-F393 HydrophobicContact CE2-CD1 3.39Å; Y389-F393 HydrophobicContact CE2-CE1 4.02Å; Y389-F393 HydrophobicContact CE2-CG 4.03Å; Y389-F393 AromaticContact CZ-CD1 3.47Å; Y389-F393 VanDerWaalsContact CZ-CD1 3.47Å; Y389-F393 AromaticContact CZ-CE1 3.96Å; Y389-F393 PolarHBondContact O-N 2.78Å; Y389-F393 WeakPolarHBondContact OH-CD1 3.34Å; Y389-F393 WeakPolarHBondContact OH-CE1 3.44Å; F393-K395 VanDerWaalsContact C-N 3.32Å; F393-K395 PolarHBondContact O-N 2.8Å; F393-A396 PolarHBondContact O-N 3.35Å; F393-Q397 HydrophobicContact CE1-CG 4.39Å; F393-Q397 HydrophobicContact CZ-CG 4.44Å; F393-Q397 WeakPolarHBondContact O-CG 3.42Å; F393-Q397 PolarHBondContact O-N 2.99Å
394V98.4Very high98.2Very high23 Ų2381.5 Ų81.514%0.13938%0.376CS..Iπ-helixtrans-64.1-39.9177.31760000110.8Y389 Q397 K398Y389-V394 HydrophobicContact CD1-CG2 3.7Å; Y389-V394 HydrophobicContact CE1-CG2 3.42Å; Y389-V394 VanDerWaalsContact CE1-CG2 3.42Å; Y389-V394 PolarHBondContact O-N 2.83Å; V394-Q397 PolarHBondContact O-N 3.18Å; V394-K398 HydrophobicContact CG1-CD 4.41Å; V394-K398 WeakPolarHBondContact O-CG 3.39Å; V394-K398 PolarHBondContact O-N 3.09Å
395K98.4Very high98.2Very high123 Ų12381.8 Ų81.854%0.53538%0.378SS..Hα-helixtrans-62.6-43.6176.1-172.963.1178-176.30112E390 N391 Y392 F393 Q397 K398 V399E390-K395 PolarHBondContact O-N 3.1Å; N391-K395 VanDerWaalsContact O-CB 3.24Å; N391-K395 WeakPolarHBondContact O-CB 3.36Å; Y392-K395 PolarHBondContact O-N 3.39Å; F393-K395 VanDerWaalsContact C-N 3.32Å; F393-K395 PolarHBondContact O-N 2.8Å; K395-Q397 PolarHBondContact O-N 3.13Å; K395-K398 WeakPolarHBondContact O-CB 3.45Å; K395-K398 PolarHBondContact O-N 3.03Å; K395-V399 WeakPolarHBondContact O-CG2 3.48Å; K395-V399 PolarHBondContact O-N 2.86Å
396A98.5Very high98.3Very high7 Ų777.8 Ų77.86%0.05836%0.357CS..Hα-helixtrans-63.6-39.617700000111.7C326 V329 L330 Y392 F393 K398 V399 R400C326-A396 PolarHBondContact SG-O 3.31Å; V329-A396 HydrophobicContact CB-CB 3.87Å; V329-A396 HydrophobicContact CG1-CB 3.7Å; L330-A396 HydrophobicContact CD2-CB 3.81Å; L330-A396 HydrophobicContact CG-CB 3.89Å; Y392-A396 VanDerWaalsContact O-CB 3.26Å; Y392-A396 WeakPolarHBondContact O-CB 3.22Å; Y392-A396 PolarHBondContact O-N 2.82Å; F393-A396 PolarHBondContact O-N 3.35Å; A396-K398 VanDerWaalsContact C-N 3.32Å; A396-K398 PolarHBondContact O-N 3.21Å; A396-V399 PolarHBondContact O-N 2.83Å; A396-R400 PolarHBondContact O-N 3.19Å
397Q98.4Very high98.3Very high93 Ų9368.4 Ų68.444%0.43532%0.316SS..Hα-helixtrans-61.7-38.6173-71.9-171.186.300112.7L330 F393 V394 K395 R400 R401L330-Q397 HydrophobicContact CD2-CG 3.74Å; F393-Q397 HydrophobicContact CE1-CG 4.39Å; F393-Q397 HydrophobicContact CZ-CG 4.44Å; F393-Q397 WeakPolarHBondContact O-CG 3.42Å; F393-Q397 PolarHBondContact O-N 2.99Å; V394-Q397 PolarHBondContact O-N 3.18Å; K395-Q397 PolarHBondContact O-N 3.13Å; Q397-R400 WeakPolarHBondContact O-CB 3.48Å; Q397-R400 PolarHBondContact O-N 2.95Å; Q397-R401 PolarHBondContact O-N 3.27Å
398K98.6Very high98.4Very high125 Ų12563.7 Ų63.754%0.54330%0.299SS..Hα-helixtrans-64.3-41.5174-69170.5-178.2170.10111.5V394 K395 A396 R401 L402V394-K398 HydrophobicContact CG1-CD 4.41Å; V394-K398 WeakPolarHBondContact O-CG 3.39Å; V394-K398 PolarHBondContact O-N 3.09Å; K395-K398 WeakPolarHBondContact O-CB 3.45Å; K395-K398 PolarHBondContact O-N 3.03Å; A396-K398 VanDerWaalsContact C-N 3.32Å; A396-K398 PolarHBondContact O-N 3.21Å; K398-R401 WeakPolarHBondContact O-CB 3.44Å; K398-R401 PolarHBondContact O-N 3.37Å; K398-L402 PolarHBondContact O-N 3.26Å
399V98.6Very high98.4Very high29 Ų2967.2 Ų67.218%0.17632%0.318CS..Hα-helixtrans-64.9-42.1174.8174.50000111.2C326 K395 A396 R401 L402 I403C326-V399 HydrophobicContact CB-CB 4.49Å; C326-V399 HydrophobicContact CB-CG1 3.96Å; K395-V399 WeakPolarHBondContact O-CG2 3.48Å; K395-V399 PolarHBondContact O-N 2.86Å; A396-V399 PolarHBondContact O-N 2.83Å; V399-R401 PolarHBondContact O-N 3.39Å; V399-L402 WeakPolarHBondContact O-CA 3.48Å; V399-L402 WeakPolarHBondContact O-CB 3.43Å; V399-L402 PolarHBondContact O-N 3.42Å; V399-I403 HydrophobicContact CG1-CD1 4Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 PolarHBondContact O-N 3.07Å
400R98.7Very high98.4Very high53 Ų5363.3 Ų63.320%0.230%0.304CS..Hα-helixtrans-54.6-41.1173.2-175.2-171.2175.2164.14.9111.6S226 L330 A396 Q397 I403 A404 M454S226-R400 VanDerWaalsContact CB-NH1 3.35Å; S226-R400 PolarHBondContact O-NH2 2.96Å; S226-R400 PolarHBondContact OG-NH1 2.92Å; L330-R400 HydrophobicContact CD1-CB 3.99Å; L330-R400 HydrophobicContact CD1-CG 4.29Å; A396-R400 PolarHBondContact O-N 3.19Å; Q397-R400 WeakPolarHBondContact O-CB 3.48Å; Q397-R400 PolarHBondContact O-N 2.95Å; R400-I403 PolarHBondContact O-N 3.06Å; R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 2.92Å; R400-M454 HydrophobicContact CG-CB 3.95Å; R400-M454 HydrophobicContact CG-CG 4.24Å; R400-M454 HydrophobicContact CG-SD 4.31Å; R400-M454 PolarHBondContact NE-O 3.4Å; R400-M454 PolarHBondContact NH2-O 2.89Å; R400-M454 VanDerWaalsContact NH2-O 3.16Å
401R98.8Very high98.5Very high169 Ų16958.3 Ų58.364%0.63828%0.28SS*.Hα-helixtrans-62.7-41.4174.9179.169.381.4-165.14.3111.9Q397 K398 V399 A404 N405Q397-R401 PolarHBondContact O-N 3.27Å; K398-R401 WeakPolarHBondContact O-CB 3.44Å; K398-R401 PolarHBondContact O-N 3.37Å; V399-R401 PolarHBondContact O-N 3.39Å; R401-A404 PolarHBondContact O-N 3.02Å; R401-N405 WeakPolarHBondContact O-CB 3.43Å; R401-N405 PolarHBondContact O-N 3.42Å; R401-N405 PolarHBondContact O-OD1 3.29Å
402L98.8Very high98.5Very high75 Ų7558.6 Ų58.639%0.39328%0.282SS..Hα-helixtrans-62.4-46.3175.9-63.9174.6000111.3H319 K398 V399 A404 N405 D406H319-L402 HydrophobicContact CB-CB 4.36Å; K398-L402 PolarHBondContact O-N 3.26Å; V399-L402 WeakPolarHBondContact O-CA 3.48Å; V399-L402 WeakPolarHBondContact O-CB 3.43Å; V399-L402 PolarHBondContact O-N 3.42Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-A404 PolarHBondContact O-N 3.18Å; L402-N405 WeakPolarHBondContact O-CB 3.42Å; L402-N405 PolarHBondContact O-N 3.49Å; L402-N405 VanDerWaalsContact O-N 3.15Å; L402-D406 PolarHBondContact O-N 3.3Å
403I98.8Very high98.4Very high2 Ų258 Ų581%0.0129%0.291CS..Hα-helixtrans-57.4-47.3175.1-66.8167.1000110.8H319 C326 V399 R400 N405 D406 F407 A451 M454H319-I403 HydrophobicContact CB-CG1 3.79Å; H319-I403 WeakPolarHBondContact O-CG1 3.32Å; C326-I403 HydrophobicContact CB-CD1 4.33Å; V399-I403 HydrophobicContact CG1-CD1 4Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 PolarHBondContact O-N 3.07Å; R400-I403 PolarHBondContact O-N 3.06Å; I403-N405 VanDerWaalsContact C-N 3.33Å; I403-N405 PolarHBondContact O-N 3.18Å; I403-D406 WeakPolarHBondContact O-CB 3.21Å; I403-D406 PolarHBondContact O-N 3.44Å; I403-F407 HydrophobicContact CG2-CE2 4.17Å; I403-F407 VanDerWaalsContact O-CD2 3.31Å; I403-F407 WeakPolarHBondContact O-CD2 3.48Å; I403-A451 HydrophobicContact CG2-CB 3.89Å; I403-M454 HydrophobicContact CD1-SD 3.56Å; I403-M454 VanDerWaalsContact CD1-SD 3.56Å; I403-M454 HydrophobicContact CG2-CB 4.41Å; I403-M454 HydrophobicContact CG2-SD 4.49Å
404A98.6Very high98.3Very high19 Ų1958.6 Ų58.616%0.15731%0.305CS..Hα-helixtrans-62.8-39.9177.400000112.4R400 R401 L402 D406 F407 V408 A455R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 2.92Å; R401-A404 PolarHBondContact O-N 3.02Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-A404 PolarHBondContact O-N 3.18Å; A404-D406 VanDerWaalsContact C-N 3.3Å; A404-D406 PolarHBondContact O-N 3.38Å; A404-F407 PolarHBondContact O-N 3.35Å; A404-V408 WeakPolarHBondContact O-CG2 3.39Å; A404-V408 PolarHBondContact O-N 3.01Å; A404-V408 VanDerWaalsContact O-N 3.14Å; A404-A455 HydrophobicContact CB-CB 4.27Å
405N98.7Very high98.3Very high65 Ų6557.5 Ų57.535%0.34830%0.299SS..Hα-helixtrans-65-32.9178.1-73.6-7.8000112.3R401 L402 I403 F407 V408 N409R401-N405 WeakPolarHBondContact O-CB 3.43Å; R401-N405 PolarHBondContact O-N 3.42Å; R401-N405 PolarHBondContact O-OD1 3.29Å; L402-N405 WeakPolarHBondContact O-CB 3.42Å; L402-N405 PolarHBondContact O-N 3.49Å; L402-N405 VanDerWaalsContact O-N 3.15Å; I403-N405 VanDerWaalsContact C-N 3.33Å; I403-N405 PolarHBondContact O-N 3.18Å; N405-F407 VanDerWaalsContact C-N 3.34Å; N405-F407 PolarHBondContact O-N 2.83Å; N405-V408 PolarHBondContact O-N 3.21Å; N405-N409 WeakPolarHBondContact O-CB 3.1Å; N405-N409 PolarHBondContact O-N 3.06Å; N405-N409 PolarHBondContact O-ND2 3.27Å
406D98.8Very high98.3Very high11 Ų1153.3 Ų53.36%0.05928%0.282CS..Hα-helixtrans-59-46.2175.6-70.1-9.6000111.3L317 P318 H319 L402 I403 A404 N409 A410L317-D406 HydrophobicContact CB-CB 4.39Å; L317-D406 HydrophobicContact CD2-CB 3.83Å; P318-D406 VanDerWaalsContact CD-OD2 3.32Å; P318-D406 WeakPolarHBondContact CD-OD2 3.41Å; H319-D406 WeakPolarHBondContact CA-OD2 3.28Å; H319-D406 WeakPolarHBondContact CB-OD2 3.14Å; H319-D406 IonicContact CE1-OD1 3.46Å; H319-D406 IonicContact CG-OD2 3.1Å; H319-D406 PolarHBondContact N-OD2 2.91Å; H319-D406 VanDerWaalsContact ND1-CG 3.26Å; H319-D406 IonicContact ND1-OD1 2.7Å; H319-D406 PolarHBondContact ND1-OD1 2.99Å; H319-D406 IonicContact ND1-OD2 2.69Å; H319-D406 PolarHBondContact ND1-OD2 3.12Å; L402-D406 PolarHBondContact O-N 3.3Å; I403-D406 WeakPolarHBondContact O-CB 3.21Å; I403-D406 PolarHBondContact O-N 3.44Å; A404-D406 VanDerWaalsContact C-N 3.3Å; A404-D406 PolarHBondContact O-N 3.38Å; D406-N409 PolarHBondContact O-N 3.07Å; D406-A410 WeakPolarHBondContact O-CB 3.23Å; D406-A410 PolarHBondContact O-N 3.39Å
407F98.8Very high98.3Very high4 Ų453 Ų532%0.01828%0.28CS..Hα-helixtrans-64.2-43.2175.1-70.7-78.1000112.4L317 I403 A404 N405 N409 A410 F411 L418 A451 V452 A455 L457 I478L317-F407 HydrophobicContact CD1-CD1 4.25Å; L317-F407 HydrophobicContact CD1-CE1 3.71Å; L317-F407 HydrophobicContact CD1-CZ 4.04Å; L317-F407 HydrophobicContact CD2-CD1 4.25Å; L317-F407 HydrophobicContact CD2-CG 4.48Å; I403-F407 HydrophobicContact CG2-CE2 4.17Å; I403-F407 VanDerWaalsContact O-CD2 3.31Å; I403-F407 WeakPolarHBondContact O-CD2 3.48Å; A404-F407 PolarHBondContact O-N 3.35Å; N405-F407 VanDerWaalsContact C-N 3.34Å; N405-F407 PolarHBondContact O-N 2.83Å; F407-N409 VanDerWaalsContact C-N 3.28Å; F407-N409 PolarHBondContact O-N 2.59Å; F407-A410 PolarHBondContact O-N 3.5Å; F407-F411 HydrophobicContact CB-CD2 4.42Å; F407-F411 HydrophobicContact CB-CE2 4.25Å; F407-F411 WeakPolarHBondContact O-CD2 3.44Å; F407-F411 WeakPolarHBondContact O-CG 3.16Å; F407-F411 PolarHBondContact O-N 2.97Å; F407-L418 HydrophobicContact CD1-CD1 3.58Å; F407-L418 HydrophobicContact CE1-CD1 3.68Å; F407-A451 HydrophobicContact CE2-CB 3.91Å; F407-A451 WeakPolarHBondContact CE2-O 3.44Å; F407-A451 HydrophobicContact CZ-CB 4Å; F407-V452 HydrophobicContact CZ-CG2 4.46Å; F407-A455 HydrophobicContact CD2-CB 3.62Å; F407-A455 HydrophobicContact CE2-CB 4.04Å; F407-A455 HydrophobicContact CG-CB 4.35Å; F407-L457 HydrophobicContact CB-CD1 3.59Å; F407-L457 HydrophobicContact CD1-CD1 3.54Å; F407-L457 HydrophobicContact CD2-CD1 3.95Å; F407-L457 HydrophobicContact CE1-CD1 4.18Å; F407-L457 HydrophobicContact CG-CD1 3.42Å; F407-L457 VanDerWaalsContact CG-CD1 3.42Å; F407-I478 HydrophobicContact CE1-CD1 4.16Å; F407-I478 HydrophobicContact CE1-CG2 4.4Å
408V98.3Very high98.3Very high72 Ų7248.6 Ų48.644%0.43626%0.259SS..Hα-helixtrans-57.2-45175.9170.30000110.5A404 N405 F411 N412A404-V408 WeakPolarHBondContact O-CG2 3.39Å; A404-V408 PolarHBondContact O-N 3.01Å; A404-V408 VanDerWaalsContact O-N 3.14Å; N405-V408 PolarHBondContact O-N 3.21Å; V408-F411 PolarHBondContact O-N 2.8Å; V408-N412 WeakPolarHBondContact CG1-ND2 3.2Å; V408-N412 VanDerWaalsContact O-CB 3.25Å; V408-N412 WeakPolarHBondContact O-CB 3.21Å; V408-N412 PolarHBondContact O-N 3.23Å; V408-N412 PolarHBondContact O-ND2 3.01Å
409N98.3Very high98.3Very high100 Ų10042.6 Ų42.654%0.53523%0.233SC..Hα-helixtrans-65-43.9178.5-68.3-24.7000111.9N405 D406 F407 F411 N412 S413N405-N409 WeakPolarHBondContact O-CB 3.1Å; N405-N409 PolarHBondContact O-N 3.06Å; N405-N409 PolarHBondContact O-ND2 3.27Å; D406-N409 PolarHBondContact O-N 3.07Å; F407-N409 VanDerWaalsContact C-N 3.28Å; F407-N409 PolarHBondContact O-N 2.59Å; N409-F411 PolarHBondContact O-N 3.09Å; N409-N412 PolarHBondContact O-N 2.67Å; N409-S413 PolarHBondContact O-N 3.22Å
410A98.3Very high98.3Very high6 Ų641.2 Ų41.25%0.0523%0.225CC..Hα-helixtrans-61.2-44.2176.900000111.9L317 D406 F407 S413 V415L317-A410 HydrophobicContact CD2-CB 4.11Å; D406-A410 WeakPolarHBondContact O-CB 3.23Å; D406-A410 PolarHBondContact O-N 3.39Å; F407-A410 PolarHBondContact O-N 3.5Å; A410-S413 PolarHBondContact O-N 3.18Å; A410-S413 PolarHBondContact O-OG 3.45Å; A410-V415 VanDerWaalsContact O-CB 3.28Å; A410-V415 WeakPolarHBondContact O-CB 3.03Å; A410-V415 VanDerWaalsContact O-CG2 3.28Å; A410-V415 WeakPolarHBondContact O-CG2 3.16Å
411F98.4Very high98.3Very high12 Ų1238.7 Ų38.75%0.05322%0.215CC..Hα-helixtrans-68.5-40.6175.7-68.4-52.1000112.1F407 V408 N409 S413 G414 V415 L418 L457 G479 R480F407-F411 HydrophobicContact CB-CD2 4.42Å; F407-F411 HydrophobicContact CB-CE2 4.25Å; F407-F411 WeakPolarHBondContact O-CD2 3.44Å; F407-F411 WeakPolarHBondContact O-CG 3.16Å; F407-F411 PolarHBondContact O-N 2.97Å; V408-F411 PolarHBondContact O-N 2.8Å; N409-F411 PolarHBondContact O-N 3.09Å; F411-S413 PolarHBondContact O-N 3.2Å; F411-G414 PolarHBondContact O-N 3.29Å; F411-V415 HydrophobicContact CD1-CG1 4.42Å; F411-V415 WeakPolarHBondContact CD1-O 3.14Å; F411-L418 HydrophobicContact CE1-CG 4.3Å; F411-L418 HydrophobicContact CZ-CD1 4.35Å; F411-L418 HydrophobicContact CZ-CG 4.42Å; F411-L457 HydrophobicContact CE2-CD1 3.89Å; F411-L457 HydrophobicContact CE2-CD2 4.12Å; F411-G479 VanDerWaalsContact CZ-C 3.45Å; F411-G479 WeakPolarHBondContact CZ-O 3.42Å; F411-R480 HydrophobicContact CB-CG 4.01Å; F411-R480 HydrophobicContact CD1-CG 3.5Å; F411-R480 VanDerWaalsContact CD1-CG 3.5Å; F411-R480 HydrophobicContact CD2-CG 3.82Å; F411-R480 HydrophobicContact CE1-CG 3.82Å; F411-R480 HydrophobicContact CE2-CG 4.12Å; F411-R480 HydrophobicContact CG-CG 3.51Å; F411-R480 HydrophobicContact CZ-CG 4.12Å; F411-R480 PolarHBondContact O-NH2 3.42Å
412N97.7Very high98.3Very high120 Ų12030.7 Ų30.764%0.64219%0.185SC*.Hα-helixtrans-64.5-23.2176.6-74.7-15.9000113.4V408 N409 G414V408-N412 WeakPolarHBondContact CG1-ND2 3.2Å; V408-N412 VanDerWaalsContact O-CB 3.25Å; V408-N412 WeakPolarHBondContact O-CB 3.21Å; V408-N412 PolarHBondContact O-N 3.23Å; V408-N412 PolarHBondContact O-ND2 3.01Å; N409-N412 PolarHBondContact O-N 2.67Å; N412-G414 PolarHBondContact O-N 3.42Å
413S96.8Very high98.3Very high81 Ų8127.3 Ų27.357%0.56617%0.167SC*.THydrogen-bonded Turntrans-75.97.717371.90000113.9N409 A410 F411N409-S413 PolarHBondContact O-N 3.22Å; A410-S413 PolarHBondContact O-N 3.18Å; A410-S413 PolarHBondContact O-OG 3.45Å; F411-S413 PolarHBondContact O-N 3.2Å
414G95.9Very high98.2Very high41 Ų4128.4 Ų28.442%0.42317%0.173SC..THydrogen-bonded Turntrans93.815176.200000114.7C278 F411 N412C278-G414 WeakPolarHBondContact CB-O 3.33Å; F411-G414 PolarHBondContact O-N 3.29Å; N412-G414 PolarHBondContact O-N 3.42Å
415V98.1Very high98.1Very high0 Ų029.2 Ų29.20%018%0.178CC..  trans-80.1134.9172.4176.20000109.4V315 A410 F411 V417 L418 R480V315-V415 HydrophobicContact CG1-CG2 3.73Å; A410-V415 VanDerWaalsContact O-CB 3.28Å; A410-V415 WeakPolarHBondContact O-CB 3.03Å; A410-V415 VanDerWaalsContact O-CG2 3.28Å; A410-V415 WeakPolarHBondContact O-CG2 3.16Å; F411-V415 HydrophobicContact CD1-CG1 4.42Å; F411-V415 WeakPolarHBondContact CD1-O 3.14Å; V415-V417 WeakPolarHBondContact CG1-O 3.45Å; V415-L418 HydrophobicContact CG1-CD2 3.87Å; V415-L418 HydrophobicContact CG1-CG 4.46Å; V415-R480 PolarHBondContact O-NE 3.22Å; V415-R480 PolarHBondContact O-NH2 3.12Å
416D97.8Very high98Very high35 Ų3527.9 Ų27.919%0.18717%0.169CC..SBendtrans-91.2-44176.8-64.1-61.6000111.4L277 C278L277-D416 WeakPolarHBondContact CA-OD2 3.42Å; L277-D416 HydrophobicContact CD2-CB 4.13Å; C278-D416 PolarHBondContact N-OD2 3.31Å; C278-D416 PolarHBondContact O-N 2.92Å
417V98.3Very high97.9Very high1 Ų127.5 Ų27.51%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-142.8141.4-176.5179.90000109.4C278 I279 G280 V415 F477 L487 V490C278-V417 PolarHBondContact O-N 2.88Å; I279-V417 WeakPolarHBondContact CA-O 3.48Å; I279-V417 HydrophobicContact CD1-CB 4.33Å; G280-V417 PolarHBondContact N-O 2.87Å; V415-V417 WeakPolarHBondContact CG1-O 3.45Å; V417-F477 HydrophobicContact CG1-CB 3.84Å; V417-F477 HydrophobicContact CG1-CD1 3.76Å; V417-F477 HydrophobicContact CG1-CG 4.29Å; V417-L487 HydrophobicContact CG1-CD1 3.94Å; V417-L487 HydrophobicContact CG2-CD1 4.5Å; V417-V490 HydrophobicContact CG2-CG2 4.18Å
418L98.9Very high97.7Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans-94.1135.8169-58169.6000110G280 P282 V315 L317 F407 F411 V415 F477 I478G280-L418 WeakPolarHBondContact O-CA 3.08Å; P282-L418 HydrophobicContact CG-CD2 4.31Å; V315-L418 HydrophobicContact CG2-CD2 3.72Å; L317-L418 HydrophobicContact CD1-CD1 4.22Å; F407-L418 HydrophobicContact CD1-CD1 3.58Å; F407-L418 HydrophobicContact CE1-CD1 3.68Å; F411-L418 HydrophobicContact CE1-CG 4.3Å; F411-L418 HydrophobicContact CZ-CD1 4.35Å; F411-L418 HydrophobicContact CZ-CG 4.42Å; V415-L418 HydrophobicContact CG1-CD2 3.87Å; V415-L418 HydrophobicContact CG1-CG 4.46Å; L418-F477 CarbonylContact O-C 3.26Å; L418-F477 VanDerWaalsContact O-CA 3.29Å; L418-F477 WeakPolarHBondContact O-CA 3.34Å; L418-I478 HydrophobicContact CB-CB 4.16Å; L418-I478 HydrophobicContact CB-CD1 4.45Å; L418-I478 HydrophobicContact CD1-CD1 4.49Å; L418-I478 PolarHBondContact N-O 3.02Å; L418-I478 PolarHBondContact O-N 3.29Å
419L98.9Very high97.5Very high0 Ų026.6 Ų26.60%016%0.163CC..EExtended strand (participates in β ladder)trans-108.2121.8173.2169.263.3000109.1I279 G280 I281 W298 A301 A302 F305 L475 F477I279-L419 HydrophobicContact CG2-CB 3.67Å; I279-L419 HydrophobicContact CG2-CD2 4.45Å; G280-L419 PolarHBondContact O-N 2.79Å; I281-L419 HydrophobicContact CD1-CB 3.89Å; I281-L419 HydrophobicContact CD1-CD2 4.07Å; I281-L419 HydrophobicContact CD1-CG 4.21Å; W298-L419 PolarHBondContact NE1-O 3.36Å; A301-L419 HydrophobicContact CB-CD2 3.87Å; A302-L419 HydrophobicContact CB-CD2 4.36Å; F305-L419 HydrophobicContact CD2-CD2 4.31Å; F305-L419 HydrophobicContact CE2-CD2 4.43Å; L419-L475 HydrophobicContact CD1-CB 4.18Å; L419-L475 HydrophobicContact CD1-CD1 4.28Å; L419-F477 HydrophobicContact CB-CD1 4.42Å; L419-F477 HydrophobicContact CB-CE1 4.29Å; L419-F477 HydrophobicContact CD1-CD1 4.16Å; L419-F477 HydrophobicContact CD1-CE1 3.68Å; L419-F477 HydrophobicContact CD1-CE2 4.45Å; L419-F477 HydrophobicContact CD1-CZ 3.83Å; L419-F477 HydrophobicContact CG-CE1 4.42Å
420T98.8Very high97.3Very high0 Ų024.4 Ų24.40%015%0.148CC..EExtended strand (participates in β ladder)trans-136.4163.7-177.2790000111.5P282 Y285 Q476 I478P282-T420 HydrophobicContact CG-CG2 3.93Å; Y285-T420 HydrophobicContact CD2-CG2 3.8Å; Y285-T420 HydrophobicContact CE2-CG2 3.72Å; T420-Q476 PolarHBondContact N-O 2.93Å; T420-Q476 PolarHBondContact O-N 2.74Å; T420-Q476 PolarHBondContact OG1-NE2 3.36Å; T420-I478 HydrophobicContact CG2-CD1 3.92Å
421P98.6Very high97Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-58.6153159.5-21.635.6000110.9L290 V294 W298 F448L290-P421 HydrophobicContact CD1-CB 4Å; L290-P421 HydrophobicContact CD1-CG 3.93Å; L290-P421 HydrophobicContact CD2-CG 4Å; V294-P421 HydrophobicContact CG1-CB 3.82Å; V294-P421 HydrophobicContact CG1-CG 4.27Å; W298-P421 HydrophobicContact CD2-CG 3.86Å; W298-P421 HydrophobicContact CE3-CG 3.68Å; W298-P421 HydrophobicContact CG-CG 4.31Å; W298-P421 HydrophobicContact CZ3-CG 4.09Å; P421-F448 HydrophobicContact CB-CD2 3.82Å; P421-F448 HydrophobicContact CB-CE2 3.8Å; P421-F448 HydrophobicContact CB-CG 4.37Å; P421-F448 HydrophobicContact CB-CZ 4.34Å; P421-F448 HydrophobicContact CG-CE2 4.36Å; P421-F448 HydrophobicContact CG-CZ 4.43Å; P421-F448 WeakPolarHBondContact O-CB 3.14Å
422T98.6Very high96.7Very high0 Ų032.7 Ų32.70%019%0.188CC..SBendtrans-89.7-46166.5-46.40000110.8R197 A201 T449 S461 G474 L475 Q476R197-T422 HydrophobicContact CB-CG2 4.07Å; A201-T422 HydrophobicContact CB-CG2 3.77Å; T422-T449 HydrophobicContact CG2-CG2 4.34Å; T422-S461 WeakPolarHBondContact CG2-OG 3.5Å; T422-S461 PolarHBondContact OG1-OG 3.41Å; T422-G474 WeakPolarHBondContact CB-O 3.45Å; T422-G474 PolarHBondContact N-O 2.99Å; T422-G474 PolarHBondContact OG1-O 3.42Å; T422-G474 VanDerWaalsContact OG1-O 3.1Å; T422-L475 PolarHBondContact OG1-O 3.24Å; T422-Q476 PolarHBondContact OG1-N 3.09Å
423T98.3Very high96.5Very high4 Ų427.5 Ų27.53%0.02516%0.16CC..SBendtrans-129.6164.4-175.557.50000110.5A201 S425A201-T423 HydrophobicContact CB-CG2 3.88Å; T423-S425 PolarHBondContact OG1-O 3.01Å
424L97.5Very high96.3Very high26 Ų2627 Ų2714%0.13615%0.15CC..SBendtrans-66.5-36.9177.5-71.4174.2000113I287 E289 S291 Q444 I447 F448I287-L424 HydrophobicContact CD1-CD2 3.71Å; I287-L424 HydrophobicContact CG1-CD2 4.38Å; E289-L424 HydrophobicContact CB-CD1 4.4Å; E289-L424 HydrophobicContact CB-CD2 3.97Å; S291-L424 WeakPolarHBondContact CB-O 3.35Å; S291-L424 PolarHBondContact N-O 3.33Å; L424-Q444 HydrophobicContact CD1-CB 4.03Å; L424-Q444 WeakPolarHBondContact CD1-O 3.11Å; L424-I447 HydrophobicContact CD2-CG2 4Å; L424-I447 HydrophobicContact CG-CG2 4.16Å; L424-F448 HydrophobicContact CD2-CE2 3.82Å; L424-F448 HydrophobicContact CD2-CZ 3.9Å; L424-F448 HydrophobicContact CG-CE2 4.36Å
425S97Very high96.2Very high36 Ų3633 Ų3325%0.25217%0.165SC..SBendtrans-151.9-177.5-177.161.40000110.7T423T423-S425 PolarHBondContact OG1-O 3.01Å
426E96.4Very high96Very high36 Ų3636.7 Ų36.717%0.16818%0.181CC..SBendtrans-58.4172.1160.967.8-84.4-164.600112.6L471 I473E426-L471 HydrophobicContact CB-CB 3.78Å; E426-L471 HydrophobicContact CB-CD1 4.36Å; E426-L471 HydrophobicContact CG-CB 4.06Å; E426-L471 HydrophobicContact CG-CD1 3.92Å; E426-I473 HydrophobicContact CB-CG1 4.39Å
427A96.6Very high95.8Very high4 Ų439.2 Ų39.23%0.03320%0.195CC..PPolyproline II helixtrans-58.4136.4179.900000112.7L166 H202L166-A427 HydrophobicContact CB-CB 4.21Å; L166-A427 WeakPolarHBondContact CD2-O 3.23Å; H202-A427 HydrophobicContact CB-CB 4.03Å; H202-A427 VanDerWaalsContact ND1-CA 3.33Å; H202-A427 WeakPolarHBondContact ND1-CA 3.19Å; H202-A427 PolarHBondContact ND1-N 2.73Å
428V94.1Very high95.6Very high32 Ų3240 Ų4019%0.19420%0.199CC..PPolyproline II helixtrans-87144.4-178.4-177.90000110.7I167 E432 F433I167-V428 WeakPolarHBondContact CG1-O 3.42Å; I167-V428 PolarHBondContact N-O 3.21Å; I167-V428 VanDerWaalsContact N-O 3.09Å; V428-E432 HydrophobicContact CG1-CB 3.91Å; V428-E432 HydrophobicContact CG1-CG 3.89Å; V428-F433 HydrophobicContact CG1-CB 4.39Å
429P94Very high95.3Very high25 Ų2546.8 Ų46.816%0.16223%0.225CC..BIsolated β-bridgetrans-57.4137.8169.7-24.435.1000112.4L166 L431 E432 F433L166-P429 HydrophobicContact CD2-CG 4.17Å; P429-L431 VanDerWaalsContact C-N 3.31Å; P429-L431 PolarHBondContact O-N 3.09Å; P429-E432 HydrophobicContact CB-CB 4.42Å; P429-E432 WeakPolarHBondContact O-CB 3.15Å; P429-E432 PolarHBondContact O-N 3.33Å; P429-F433 PolarHBondContact O-N 2.76Å
430Y94.1Very high95.1Very high53 Ų5349.3 Ų49.321%0.20824%0.24CC..Hα-helixtrans-53.3-45.4-177.5168.9-108.2000113.4T131 P137 W165 I167 E432 F433 I434T131-Y430 HydrophobicContact CG2-CD2 3.76Å; T131-Y430 HydrophobicContact CG2-CE2 3.67Å; P137-Y430 HydrophobicContact CB-CE2 4.31Å; W165-Y430 HydrophobicContact CD2-CG 4.44Å; W165-Y430 AromaticContact CE2-CD1 3.9Å; W165-Y430 AromaticContact CE2-CG 3.86Å; W165-Y430 HydrophobicContact CE3-CG 4.45Å; W165-Y430 AromaticContact CH2-CD1 3.9Å; W165-Y430 HydrophobicContact CH2-CD1 3.9Å; W165-Y430 AromaticContact CH2-CD2 3.13Å; W165-Y430 HydrophobicContact CH2-CD2 3.13Å; W165-Y430 HydrophobicContact CH2-CE1 4.38Å; W165-Y430 AromaticContact CH2-CE2 3.69Å; W165-Y430 HydrophobicContact CH2-CE2 3.69Å; W165-Y430 AromaticContact CH2-CG 3.23Å; W165-Y430 HydrophobicContact CH2-CG 3.23Å; W165-Y430 AromaticContact CZ2-CD1 3.38Å; W165-Y430 HydrophobicContact CZ2-CD1 3.38Å; W165-Y430 AromaticContact CZ2-CD2 3.56Å; W165-Y430 HydrophobicContact CZ2-CD2 3.56Å; W165-Y430 AromaticContact CZ2-CE1 3.81Å; W165-Y430 HydrophobicContact CZ2-CE1 3.81Å; W165-Y430 AromaticContact CZ2-CE2 3.95Å; W165-Y430 HydrophobicContact CZ2-CE2 3.95Å; W165-Y430 AromaticContact CZ2-CG 3.23Å; W165-Y430 HydrophobicContact CZ2-CG 3.23Å; W165-Y430 AromaticContact CZ3-CD2 3.91Å; W165-Y430 HydrophobicContact CZ3-CD2 3.91Å; W165-Y430 AromaticContact CZ3-CG 3.91Å; W165-Y430 HydrophobicContact CZ3-CG 3.91Å; W165-Y430 WeakPolarHBondContact O-CB 3.33Å; W165-Y430 PolarHBondContact O-N 3.38Å; I167-Y430 HydrophobicContact CG2-CD2 4.39Å; Y430-E432 VanDerWaalsContact C-N 3.25Å; Y430-E432 PolarHBondContact O-N 3.14Å; Y430-F433 WeakPolarHBondContact O-CB 3.46Å; Y430-F433 PolarHBondContact O-N 2.76Å; Y430-I434 HydrophobicContact CD1-CD1 4.44Å; Y430-I434 HydrophobicContact CD2-CG2 3.76Å; Y430-I434 HydrophobicContact CE1-CD1 3.8Å; Y430-I434 HydrophobicContact CE1-CG2 4.41Å; Y430-I434 HydrophobicContact CE2-CG2 3.31Å; Y430-I434 WeakPolarHBondContact O-CG1 3.41Å; Y430-I434 PolarHBondContact O-N 3.14Å
431L91.8Very high94.9Very high81 Ų8150.3 Ų50.342%0.42424%0.244SC..Hα-helixtrans-66.2-26.7-179.3-71.3-176.3000113.7S163 P429 I434 K435S163-L431 WeakPolarHBondContact O-CG 3.45Å; P429-L431 VanDerWaalsContact C-N 3.31Å; P429-L431 PolarHBondContact O-N 3.09Å; L431-I434 HydrophobicContact CD2-CD1 4.22Å; L431-K435 WeakPolarHBondContact O-CE 3.39Å; L431-K435 WeakPolarHBondContact O-CG 3.42Å
432E92.1Very high94.6Very high111 Ų11150.8 Ų50.852%0.51925%0.248SC..Hα-helixtrans-77-45.7173-179.9171.8-16400110.1V428 P429 Y430 I434 K435V428-E432 HydrophobicContact CG1-CB 3.91Å; V428-E432 HydrophobicContact CG1-CG 3.89Å; P429-E432 HydrophobicContact CB-CB 4.42Å; P429-E432 WeakPolarHBondContact O-CB 3.15Å; P429-E432 PolarHBondContact O-N 3.33Å; Y430-E432 VanDerWaalsContact C-N 3.25Å; Y430-E432 PolarHBondContact O-N 3.14Å; E432-I434 PolarHBondContact O-N 3.33Å; E432-K435 WeakPolarHBondContact O-CB 3.48Å; E432-K435 PolarHBondContact O-N 2.98Å
433F93.5Very high94.3Very high11 Ų1152.2 Ų52.25%0.04826%0.259CS..Hα-helixtrans-54.7-49.1178.6-174-104.2000112.4S128 T131 I167 V428 P429 Y430 K435 E436 R441 D445S128-F433 WeakPolarHBondContact OG-CZ 3.37Å; T131-F433 HydrophobicContact CG2-CD1 4.16Å; T131-F433 HydrophobicContact CG2-CE1 4.1Å; I167-F433 HydrophobicContact CD1-CD2 3.74Å; I167-F433 HydrophobicContact CD1-CE2 3.65Å; I167-F433 HydrophobicContact CD1-CG 4.28Å; I167-F433 HydrophobicContact CD1-CZ 4.11Å; I167-F433 HydrophobicContact CG1-CD2 4.45Å; I167-F433 HydrophobicContact CG2-CB 3.95Å; I167-F433 HydrophobicContact CG2-CD1 3.75Å; I167-F433 HydrophobicContact CG2-CD2 4.41Å; I167-F433 HydrophobicContact CG2-CE1 4.28Å; I167-F433 HydrophobicContact CG2-CG 3.8Å; V428-F433 HydrophobicContact CG1-CB 4.39Å; P429-F433 PolarHBondContact O-N 2.76Å; Y430-F433 WeakPolarHBondContact O-CB 3.46Å; Y430-F433 PolarHBondContact O-N 2.76Å; F433-K435 PolarHBondContact O-N 3.04Å; F433-K435 VanDerWaalsContact O-N 3.1Å; F433-E436 PolarHBondContact O-N 3.5Å; F433-R441 HydrophobicContact CD2-CG 4.23Å; F433-R441 VanDerWaalsContact CE1-CD 3.4Å; F433-R441 HydrophobicContact CE2-CB 3.94Å; F433-R441 HydrophobicContact CE2-CG 3.93Å; F433-R441 HydrophobicContact CZ-CB 4.02Å; F433-R441 HydrophobicContact CZ-CG 4.12Å; F433-R441 VanDerWaalsContact O-CD 3.24Å; F433-R441 WeakPolarHBondContact O-CD 3.44Å; F433-D445 WeakPolarHBondContact CE2-OD2 3.4Å
434I92.7Very high94.1Very high70 Ų7055.4 Ų55.436%0.35927%0.274SS..THydrogen-bonded Turntrans-73.5-0.4-176.166.9171.3000115.1Y430 L431 E432Y430-I434 HydrophobicContact CD1-CD1 4.44Å; Y430-I434 HydrophobicContact CD2-CG2 3.76Å; Y430-I434 HydrophobicContact CE1-CD1 3.8Å; Y430-I434 HydrophobicContact CE1-CG2 4.41Å; Y430-I434 HydrophobicContact CE2-CG2 3.31Å; Y430-I434 WeakPolarHBondContact O-CG1 3.41Å; Y430-I434 PolarHBondContact O-N 3.14Å; L431-I434 HydrophobicContact CD2-CD1 4.22Å; E432-I434 PolarHBondContact O-N 3.33Å
435K94.1Very high93.9Very high169 Ų16954.8 Ų54.874%0.73527%0.271SS*.THydrogen-bonded Turntrans-71.9-22.7173.5-69.4171.2-174.3171.20112.2L431 E432 F433L431-K435 WeakPolarHBondContact O-CE 3.39Å; L431-K435 WeakPolarHBondContact O-CG 3.42Å; E432-K435 WeakPolarHBondContact O-CB 3.48Å; E432-K435 PolarHBondContact O-N 2.98Å; F433-K435 PolarHBondContact O-N 3.04Å; F433-K435 VanDerWaalsContact O-N 3.1Å
436E94.6Very high93.8Very high76 Ų7653.4 Ų53.436%0.35526%0.261SS..SBendtrans-102154.7180-63.3-170.8172.800111.8F433 T440 R441 Q444F433-E436 PolarHBondContact O-N 3.5Å; E436-T440 VanDerWaalsContact OE2-CG2 3.24Å; E436-T440 WeakPolarHBondContact OE2-CG2 3.23Å; E436-R441 HydrophobicContact CB-CG 3.85Å; E436-R441 PolarHBondContact O-NE 2.96Å; E436-R441 PolarHBondContact O-NH2 3.34Å; E436-Q444 PolarHBondContact OE1-NE2 3.08Å; E436-Q444 VanDerWaalsContact OE2-CD 3.3Å; E436-Q444 PolarHBondContact OE2-NE2 3.25Å; E436-Q444 PolarHBondContact OE2-OE1 3.48Å
437D93.8Very high93.8Very high88 Ų8854 Ų5447%0.47126%0.264SS..  trans-72.2161.4175.274.388.4000111.9R439 T440 R441D437-R439 VanDerWaalsContact C-N 3.25Å; D437-R439 PolarHBondContact O-N 3.11Å; D437-R439 WeakPolarHBondContact OD1-CA 3.36Å; D437-R439 VanDerWaalsContact OD1-CB 3.22Å; D437-R439 WeakPolarHBondContact OD1-CB 3.47Å; D437-R439 PolarHBondContact OD1-N 2.76Å; D437-T440 PolarHBondContact O-N 3.03Å; D437-T440 PolarHBondContact OD1-N 3.43Å; D437-T440 VanDerWaalsContact OD1-N 3.16Å; D437-T440 WeakPolarHBondContact OD2-CB 3.49Å; D437-T440 PolarHBondContact OD2-OG1 2.67Å; D437-R441 WeakPolarHBondContact O-CG 3.42Å; D437-R441 PolarHBondContact O-N 3.46Å; D437-R441 VanDerWaalsContact O-N 3.12Å; D437-R441 PolarHBondContact O-NE 3.2Å
438N93.8Very high93.9Very high17 Ų1753.9 Ų53.99%0.09126%0.263CS..Hα-helixtrans-58.5-33.8-175.8175.8-87.4000113.3M126 G127 D132 V372 R376 S442M126-N438 PolarHBondContact O-ND2 2.89Å; M126-N438 VanDerWaalsContact O-ND2 3.11Å; G127-N438 WeakPolarHBondContact CA-ND2 3.37Å; D132-N438 PolarHBondContact OD2-ND2 2.87Å; V372-N438 HydrophobicContact CG1-CB 4.23Å; V372-N438 WeakPolarHBondContact CG1-OD1 3.46Å; V372-N438 HydrophobicContact CG2-CB 3.75Å; R376-N438 PolarHBondContact NH2-OD1 2.98Å; N438-S442 WeakPolarHBondContact O-CB 3.36Å; N438-S442 PolarHBondContact O-N 3.27Å; N438-S442 PolarHBondContact O-OG 2.78Å
439R92.3Very high94.1Very high143 Ų14352.4 Ų52.454%0.5425%0.254SS..Hα-helixtrans-71.9-44.6-178.4179.3-172.8175176.8-1110.5D437 S442 A443D437-R439 VanDerWaalsContact C-N 3.25Å; D437-R439 PolarHBondContact O-N 3.11Å; D437-R439 WeakPolarHBondContact OD1-CA 3.36Å; D437-R439 VanDerWaalsContact OD1-CB 3.22Å; D437-R439 WeakPolarHBondContact OD1-CB 3.47Å; D437-R439 PolarHBondContact OD1-N 2.76Å; R439-S442 PolarHBondContact O-N 2.75Å; R439-A443 WeakPolarHBondContact O-CB 3.48Å; R439-A443 PolarHBondContact O-N 3.25Å
440T94.3Very high94.3Very high54 Ų5451.4 Ų51.433%0.33125%0.247SC..Hα-helixtrans-62.3-48178.8-57.10000110.8E436 D437 S442 A443 Q444E436-T440 VanDerWaalsContact OE2-CG2 3.24Å; E436-T440 WeakPolarHBondContact OE2-CG2 3.23Å; D437-T440 PolarHBondContact O-N 3.03Å; D437-T440 PolarHBondContact OD1-N 3.43Å; D437-T440 VanDerWaalsContact OD1-N 3.16Å; D437-T440 WeakPolarHBondContact OD2-CB 3.49Å; D437-T440 PolarHBondContact OD2-OG1 2.67Å; T440-S442 PolarHBondContact O-N 3.06Å; T440-A443 WeakPolarHBondContact O-CB 3.47Å; T440-A443 PolarHBondContact O-N 2.89Å; T440-A443 VanDerWaalsContact O-N 3.14Å; T440-Q444 WeakPolarHBondContact O-CG 3.47Å; T440-Q444 PolarHBondContact O-N 3.41Å; T440-Q444 VanDerWaalsContact O-N 3.12Å
441R94.5Very high94.5Very high20 Ų2048.9 Ų48.98%0.07524%0.237CC..Hα-helixtrans-56.3-48.7174.3-67.8-179.9-95.7162.48.7112.9T131 D132 F433 E436 D437 A443 Q444 D445T131-R441 PolarHBondContact OG1-NH1 2.95Å; D132-R441 IonicContact OD1-NH1 2.64Å; D132-R441 IonicContact OD1-NH2 3.12Å; D132-R441 IonicContact OD2-NH1 3Å; D132-R441 IonicContact OD2-NH2 3.55Å; F433-R441 HydrophobicContact CD2-CG 4.23Å; F433-R441 VanDerWaalsContact CE1-CD 3.4Å; F433-R441 HydrophobicContact CE2-CB 3.94Å; F433-R441 HydrophobicContact CE2-CG 3.93Å; F433-R441 HydrophobicContact CZ-CB 4.02Å; F433-R441 HydrophobicContact CZ-CG 4.12Å; F433-R441 VanDerWaalsContact O-CD 3.24Å; F433-R441 WeakPolarHBondContact O-CD 3.44Å; E436-R441 HydrophobicContact CB-CG 3.85Å; E436-R441 PolarHBondContact O-NE 2.96Å; E436-R441 PolarHBondContact O-NH2 3.34Å; D437-R441 WeakPolarHBondContact O-CG 3.42Å; D437-R441 PolarHBondContact O-N 3.46Å; D437-R441 VanDerWaalsContact O-N 3.12Å; D437-R441 PolarHBondContact O-NE 3.2Å; R441-A443 VanDerWaalsContact C-N 3.28Å; R441-A443 PolarHBondContact O-N 3.28Å; R441-Q444 PolarHBondContact O-N 3.43Å; R441-D445 PolarHBondContact O-N 3.45Å
442S92.2Very high94.8Very high11 Ų1145 Ų458%0.07722%0.217CC..Hα-helixtrans-62-36.4178.7-56.60000111.9N438 R439 T440 Q444 D446N438-S442 WeakPolarHBondContact O-CB 3.36Å; N438-S442 PolarHBondContact O-N 3.27Å; N438-S442 PolarHBondContact O-OG 2.78Å; R439-S442 PolarHBondContact O-N 2.75Å; T440-S442 PolarHBondContact O-N 3.06Å; S442-Q444 VanDerWaalsContact C-N 3.34Å; S442-D446 WeakPolarHBondContact O-CB 3.2Å; S442-D446 PolarHBondContact O-N 2.92Å
443A93Very high95.1Very high29 Ų2939.8 Ų39.824%0.2419%0.193CC..Hα-helixtrans-66.7-34.9177.900000112.9I324 R439 T440 R441I324-A443 HydrophobicContact CG2-CB 3.58Å; R439-A443 WeakPolarHBondContact O-CB 3.48Å; R439-A443 PolarHBondContact O-N 3.25Å; T440-A443 WeakPolarHBondContact O-CB 3.47Å; T440-A443 PolarHBondContact O-N 2.89Å; T440-A443 VanDerWaalsContact O-N 3.14Å; R441-A443 VanDerWaalsContact C-N 3.28Å; R441-A443 PolarHBondContact O-N 3.28Å
444Q93.6Very high95.3Very high71 Ų7139.4 Ų39.433%0.33219%0.191SC..Hα-helixtrans-74.3-49.7176.9-67.6168.7-3.200111.5L424 E436 T440 R441 S442 D446 I447L424-Q444 HydrophobicContact CD1-CB 4.03Å; L424-Q444 WeakPolarHBondContact CD1-O 3.11Å; E436-Q444 PolarHBondContact OE1-NE2 3.08Å; E436-Q444 VanDerWaalsContact OE2-CD 3.3Å; E436-Q444 PolarHBondContact OE2-NE2 3.25Å; E436-Q444 PolarHBondContact OE2-OE1 3.48Å; T440-Q444 WeakPolarHBondContact O-CG 3.47Å; T440-Q444 PolarHBondContact O-N 3.41Å; T440-Q444 VanDerWaalsContact O-N 3.12Å; R441-Q444 PolarHBondContact O-N 3.43Å; S442-Q444 VanDerWaalsContact C-N 3.34Å; Q444-D446 PolarHBondContact O-N 2.99Å; Q444-I447 WeakPolarHBondContact O-CG2 3.43Å
445D92.6Very high95.6Very high14 Ų1437.3 Ų37.38%0.07518%0.184CC..Hα-helixtrans-71.5-32-174.8-72.6-21.3000112.9S128 N198 F433 R441S128-D445 WeakPolarHBondContact CB-OD2 3.24Å; S128-D445 PolarHBondContact OG-OD2 2.92Å; N198-D445 PolarHBondContact ND2-O 2.91Å; F433-D445 WeakPolarHBondContact CE2-OD2 3.4Å; R441-D445 PolarHBondContact O-N 3.45Å
446D96.5Very high95.8Very high7 Ų729.9 Ų29.94%0.03716%0.156CC..THydrogen-bonded Turntrans-95.23.9-172.9-64.7-15.5000114.3N198 S442 Q444 F448 T449 Q450N198-D446 PolarHBondContact ND2-OD1 2.8Å; S442-D446 WeakPolarHBondContact O-CB 3.2Å; S442-D446 PolarHBondContact O-N 2.92Å; Q444-D446 PolarHBondContact O-N 2.99Å; D446-F448 PolarHBondContact O-N 3.4Å; D446-F448 VanDerWaalsContact O-N 3.11Å; D446-T449 VanDerWaalsContact CA-OG1 3.27Å; D446-T449 WeakPolarHBondContact CA-OG1 3.46Å; D446-T449 PolarHBondContact O-N 2.97Å; D446-T449 PolarHBondContact O-OG1 2.7Å; D446-T449 VanDerWaalsContact O-OG1 3.12Å; D446-Q450 HydrophobicContact CB-CG 3.79Å; D446-Q450 PolarHBondContact O-N 2.64Å; D446-Q450 PolarHBondContact OD2-NE2 2.88Å
447I96.1Very high96Very high48 Ų4826.9 Ų26.925%0.24614%0.142CC..THydrogen-bonded Turntrans-57.4-31.9-170.5-167.6158.1000114.1I287 L424 Q444I287-I447 HydrophobicContact CD1-CD1 3.42Å; I287-I447 VanDerWaalsContact CD1-CD1 3.42Å; I287-I447 HydrophobicContact CD1-CG1 4.2Å; I287-I447 HydrophobicContact CD1-CG2 4.39Å; L424-I447 HydrophobicContact CD2-CG2 4Å; L424-I447 HydrophobicContact CG-CG2 4.16Å; Q444-I447 WeakPolarHBondContact O-CG2 3.43Å
448F98.3Very high96.2Very high2 Ų222.7 Ų22.71%0.00912%0.12CC..THydrogen-bonded Turntrans-98.3-5179.8-56.2-50.6000113.9Y285 I287 L290 P421 L424 D446 Q476Y285-F448 HydrophobicContact CD2-CB 4.11Å; Y285-F448 AromaticContact CD2-CD1 3.28Å; Y285-F448 HydrophobicContact CD2-CD1 3.28Å; Y285-F448 HydrophobicContact CD2-CE1 4.02Å; Y285-F448 HydrophobicContact CD2-CG 4.02Å; Y285-F448 HydrophobicContact CE2-CB 3.84Å; Y285-F448 AromaticContact CE2-CD1 3.76Å; Y285-F448 HydrophobicContact CE2-CD1 3.76Å; Y285-F448 HydrophobicContact CE2-CG 4.23Å; Y285-F448 AromaticContact CG-CD1 3.81Å; Y285-F448 HydrophobicContact CG-CD1 3.81Å; Y285-F448 HydrophobicContact CG-CE1 4.16Å; Y285-F448 WeakPolarHBondContact O-CE1 3.35Å; I287-F448 HydrophobicContact CD1-CE1 4Å; I287-F448 HydrophobicContact CD1-CZ 3.8Å; I287-F448 HydrophobicContact CG1-CE1 4.35Å; I287-F448 HydrophobicContact CG1-CZ 4.1Å; L290-F448 HydrophobicContact CD1-CE2 3.86Å; L290-F448 HydrophobicContact CD1-CZ 3.88Å; P421-F448 HydrophobicContact CB-CD2 3.82Å; P421-F448 HydrophobicContact CB-CE2 3.8Å; P421-F448 HydrophobicContact CB-CG 4.37Å; P421-F448 HydrophobicContact CB-CZ 4.34Å; P421-F448 HydrophobicContact CG-CE2 4.36Å; P421-F448 HydrophobicContact CG-CZ 4.43Å; P421-F448 WeakPolarHBondContact O-CB 3.14Å; L424-F448 HydrophobicContact CD2-CE2 3.82Å; L424-F448 HydrophobicContact CD2-CZ 3.9Å; L424-F448 HydrophobicContact CG-CE2 4.36Å; D446-F448 PolarHBondContact O-N 3.4Å; D446-F448 VanDerWaalsContact O-N 3.11Å; F448-Q476 PolarHBondContact O-NE2 3.25Å
449T98.5Very high96.4Very high0 Ų021.9 Ų21.90%012%0.115CC..THydrogen-bonded Turntrans-117.6-34.2-165.546.30000113.7G193 R197 N198 T422 D446 A451 V452 N453G193-T449 CarbonylContact O-C 3.12Å; G193-T449 WeakPolarHBondContact O-CB 3.48Å; G193-T449 PolarHBondContact O-OG1 3.24Å; R197-T449 HydrophobicContact CB-CG2 4.32Å; R197-T449 VanDerWaalsContact NH1-CA 3.31Å; R197-T449 VanDerWaalsContact NH1-CB 3.34Å; R197-T449 PolarHBondContact NH1-O 3.25Å; R197-T449 PolarHBondContact NH2-O 3.02Å; R197-T449 VanDerWaalsContact NH2-O 3.11Å; N198-T449 WeakPolarHBondContact OD1-CG2 3.46Å; T422-T449 HydrophobicContact CG2-CG2 4.34Å; D446-T449 VanDerWaalsContact CA-OG1 3.27Å; D446-T449 WeakPolarHBondContact CA-OG1 3.46Å; D446-T449 PolarHBondContact O-N 2.97Å; D446-T449 PolarHBondContact O-OG1 2.7Å; D446-T449 VanDerWaalsContact O-OG1 3.12Å; T449-A451 PolarHBondContact O-N 3.46Å; T449-V452 VanDerWaalsContact O-CB 3.31Å; T449-V452 WeakPolarHBondContact O-CB 3.38Å; T449-V452 PolarHBondContact O-N 3.03Å; T449-N453 PolarHBondContact O-OD1 3.24Å
450Q97.5Very high96.7Very high4 Ų415 Ų152%0.0199%0.09CC..Hα-helixtrans-62.6-40.3-176.1-95.517128.100114.5G193 I324 Y327 D446 V452 N453 M454G193-Q450 WeakPolarHBondContact O-CG 2.98Å; G193-Q450 PolarHBondContact O-N 3.12Å; I324-Q450 VanDerWaalsContact CD1-OE1 3.27Å; Y327-Q450 VanDerWaalsContact CD1-CD 3.47Å; Y327-Q450 HydrophobicContact CD1-CG 4.15Å; Y327-Q450 VanDerWaalsContact CD1-NE2 3.31Å; Y327-Q450 HydrophobicContact CD2-CG 3.94Å; Y327-Q450 HydrophobicContact CE2-CG 4.33Å; Y327-Q450 VanDerWaalsContact CG-CD 3.46Å; Y327-Q450 HydrophobicContact CG-CG 3.83Å; D446-Q450 HydrophobicContact CB-CG 3.79Å; D446-Q450 PolarHBondContact O-N 2.64Å; D446-Q450 PolarHBondContact OD2-NE2 2.88Å; Q450-V452 PolarHBondContact O-N 3.35Å; Q450-V452 VanDerWaalsContact O-N 3.16Å; Q450-N453 PolarHBondContact O-N 3.37Å; Q450-N453 VanDerWaalsContact O-N 3.12Å; Q450-M454 PolarHBondContact O-N 2.81Å; Q450-M454 VanDerWaalsContact O-N 3.12Å
451A98.3Very high97Very high0 Ų012.5 Ų12.50%07%0.074CC..Hα-helixtrans-58.2-31.3179.800000112.1I403 F407 T449 A455I403-A451 HydrophobicContact CG2-CB 3.89Å; F407-A451 HydrophobicContact CE2-CB 3.91Å; F407-A451 WeakPolarHBondContact CE2-O 3.44Å; F407-A451 HydrophobicContact CZ-CB 4Å; T449-A451 PolarHBondContact O-N 3.46Å; A451-A455 WeakPolarHBondContact O-CB 3.46Å; A451-A455 PolarHBondContact O-N 3.27Å; A451-A455 VanDerWaalsContact O-N 3.12Å
452V98.6Very high97.2Very high0 Ų011.6 Ų11.60%07%0.07CC..Hα-helixtrans-67.6-44.4177.7-1740000111.5F407 T449 Q450 M454 A455 G456 L457 A459 I478F407-V452 HydrophobicContact CZ-CG2 4.46Å; T449-V452 VanDerWaalsContact O-CB 3.31Å; T449-V452 WeakPolarHBondContact O-CB 3.38Å; T449-V452 PolarHBondContact O-N 3.03Å; Q450-V452 PolarHBondContact O-N 3.35Å; Q450-V452 VanDerWaalsContact O-N 3.16Å; V452-M454 VanDerWaalsContact C-N 3.35Å; V452-A455 PolarHBondContact O-N 3.33Å; V452-G456 PolarHBondContact O-N 2.67Å; V452-L457 HydrophobicContact CG1-CB 3.98Å; V452-L457 WeakPolarHBondContact CG1-O 3.39Å; V452-L457 PolarHBondContact O-N 3.28Å; V452-A459 HydrophobicContact CG1-CB 3.76Å; V452-I478 HydrophobicContact CG1-CG2 4.05Å; V452-I478 HydrophobicContact CG2-CD1 3.57Å; V452-I478 HydrophobicContact CG2-CG1 3.9Å; V452-I478 HydrophobicContact CG2-CG2 4.3Å
453N98.4Very high97.4Very high2 Ų211.4 Ų11.41%0.0117%0.069CC..Hα-helixtrans-65.1-41.3177.4-5977.6000111.2D191 T192 G193 R197 K209 M227 T449 Q450 A455 G456D191-N453 PolarHBondContact O-ND2 2.9Å; D191-N453 PolarHBondContact OD1-ND2 3.14Å; D191-N453 PolarHBondContact OD1-OD1 3.02Å; T192-N453 WeakPolarHBondContact O-CB 3.44Å; T192-N453 PolarHBondContact O-ND2 3.45Å; T192-N453 VanDerWaalsContact O-ND2 3.15Å; G193-N453 WeakPolarHBondContact CA-OD1 3.49Å; R197-N453 PolarHBondContact NH2-OD1 3.02Å; K209-N453 WeakPolarHBondContact CD-ND2 3.38Å; M227-N453 HydrophobicContact CB-CB 4.25Å; T449-N453 PolarHBondContact O-OD1 3.24Å; Q450-N453 PolarHBondContact O-N 3.37Å; Q450-N453 VanDerWaalsContact O-N 3.12Å; N453-A455 PolarHBondContact O-N 3.01Å; N453-G456 PolarHBondContact O-N 3.35Å
454M97.9Very high97.7Very high3 Ų310.7 Ų10.72%0.0156%0.062CC..Hα-helixtrans-57.7-39.7175.5-75.2-167.1-168.500113M227 S323 C326 Y327 R400 I403 Q450 V452 G456M227-M454 HydrophobicContact CE-CG 3.92Å; M227-M454 HydrophobicContact SD-CG 4.18Å; S323-M454 WeakPolarHBondContact O-CE 3.36Å; C326-M454 HydrophobicContact CB-CE 3.86Å; C326-M454 HydrophobicContact CB-SD 4.28Å; Y327-M454 HydrophobicContact CD2-CE 4.26Å; Y327-M454 HydrophobicContact CG-CE 4.31Å; R400-M454 HydrophobicContact CG-CB 3.95Å; R400-M454 HydrophobicContact CG-CG 4.24Å; R400-M454 HydrophobicContact CG-SD 4.31Å; R400-M454 PolarHBondContact NE-O 3.4Å; R400-M454 PolarHBondContact NH2-O 2.89Å; R400-M454 VanDerWaalsContact NH2-O 3.16Å; I403-M454 HydrophobicContact CD1-SD 3.56Å; I403-M454 VanDerWaalsContact CD1-SD 3.56Å; I403-M454 HydrophobicContact CG2-CB 4.41Å; I403-M454 HydrophobicContact CG2-SD 4.49Å; Q450-M454 PolarHBondContact O-N 2.81Å; Q450-M454 VanDerWaalsContact O-N 3.12Å; V452-M454 VanDerWaalsContact C-N 3.35Å; M454-G456 VanDerWaalsContact C-N 3.34Å
455A98.3Very high97.9Very high25 Ų258.5 Ų8.521%0.2076%0.056CC..Hα-helixtrans-82.1-9.2177.900000113.7A404 F407 A451 V452 N453 L457A404-A455 HydrophobicContact CB-CB 4.27Å; F407-A455 HydrophobicContact CD2-CB 3.62Å; F407-A455 HydrophobicContact CE2-CB 4.04Å; F407-A455 HydrophobicContact CG-CB 4.35Å; A451-A455 WeakPolarHBondContact O-CB 3.46Å; A451-A455 PolarHBondContact O-N 3.27Å; A451-A455 VanDerWaalsContact O-N 3.12Å; V452-A455 PolarHBondContact O-N 3.33Å; N453-A455 PolarHBondContact O-N 3.01Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 HydrophobicContact CB-CD1 3.74Å; A455-L457 HydrophobicContact CB-CG 3.79Å; A455-L457 PolarHBondContact O-N 3.11Å
456G98.1Very high98.1Very high14 Ų1410.1 Ų10.114%0.1446%0.064CC..THydrogen-bonded Turntrans71.715.8-179.900000114.9Y212 V452 N453 M454Y212-G456 PolarHBondContact N-O 2.92Å; V452-G456 PolarHBondContact O-N 2.67Å; N453-G456 PolarHBondContact O-N 3.35Å; M454-G456 VanDerWaalsContact C-N 3.34Å
457L98.7Very high98.1Very high12 Ų1210.2 Ų10.26%0.0637%0.065CC..  trans-85150.8-171-63.7171.7000112.8K209 F407 F411 V452 A455 I478 A481K209-L457 WeakPolarHBondContact CE-O 3.3Å; K209-L457 PolarHBondContact NZ-O 2.89Å; F407-L457 HydrophobicContact CB-CD1 3.59Å; F407-L457 HydrophobicContact CD1-CD1 3.54Å; F407-L457 HydrophobicContact CD2-CD1 3.95Å; F407-L457 HydrophobicContact CE1-CD1 4.18Å; F407-L457 HydrophobicContact CG-CD1 3.42Å; F407-L457 VanDerWaalsContact CG-CD1 3.42Å; F411-L457 HydrophobicContact CE2-CD1 3.89Å; F411-L457 HydrophobicContact CE2-CD2 4.12Å; V452-L457 HydrophobicContact CG1-CB 3.98Å; V452-L457 WeakPolarHBondContact CG1-O 3.39Å; V452-L457 PolarHBondContact O-N 3.28Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 HydrophobicContact CB-CD1 3.74Å; A455-L457 HydrophobicContact CB-CG 3.79Å; A455-L457 PolarHBondContact O-N 3.11Å; L457-I478 HydrophobicContact CB-CG2 4.1Å; L457-I478 HydrophobicContact CD1-CG2 4.05Å; L457-A481 HydrophobicContact CD2-CB 4.12Å
458P98.6Very high98Very high0 Ų013 Ų130%08%0.081CC..  trans-73.4144.7172.231.6-33.1000111F208 K209 S211 G479 R480 D484 L487F208-P458 HydrophobicContact CE2-CB 4.37Å; K209-P458 CarbonylContact O-C 3.52Å; K209-P458 VanDerWaalsContact O-CA 3.26Å; K209-P458 WeakPolarHBondContact O-CA 3.46Å; S211-P458 VanDerWaalsContact OG-CD 3.24Å; S211-P458 WeakPolarHBondContact OG-CD 3.32Å; S211-P458 WeakPolarHBondContact OG-CG 3.38Å; P458-G479 WeakPolarHBondContact CD-O 3.36Å; P458-G479 PolarHBondContact O-N 3.45Å; P458-R480 WeakPolarHBondContact CD-O 3.3Å; P458-R480 WeakPolarHBondContact CG-O 3.37Å; P458-D484 WeakPolarHBondContact CB-OD1 3.38Å; P458-L487 HydrophobicContact CB-CD2 3.85Å; P458-L487 HydrophobicContact CG-CD2 4.13Å
459A98.9Very high97.6Very high0 Ų016.2 Ų16.20%010%0.096CC..EExtended strand (participates in β ladder)trans-148.5145.7174.500000112.2F208 K209 V452 Q476 F477 I478F208-A459 WeakPolarHBondContact CD2-O 3.38Å; K209-A459 PolarHBondContact N-O 3.38Å; K209-A459 PolarHBondContact O-N 3.42Å; V452-A459 HydrophobicContact CG1-CB 3.76Å; A459-Q476 HydrophobicContact CB-CG 4.29Å; A459-F477 CarbonylContact C-O 3.58Å; A459-F477 WeakPolarHBondContact CA-O 3.47Å; A459-I478 HydrophobicContact CB-CG1 4.19Å
460V98.9Very high97.4Very high0 Ų016.4 Ų16.40%010%0.098CC..EExtended strand (participates in β ladder)trans-128.4129.5177.660.50000110.1V206 G207 F208 I462 Q476 F477 L487 L488 A491V206-V460 HydrophobicContact CG1-CG2 3.82Å; G207-V460 CarbonylContact O-C 3.54Å; G207-V460 WeakPolarHBondContact O-CA 3.41Å; F208-V460 HydrophobicContact CB-CG2 4.22Å; F208-V460 HydrophobicContact CD2-CB 3.87Å; F208-V460 HydrophobicContact CD2-CG2 4.37Å; V460-I462 HydrophobicContact CG2-CD1 3.65Å; V460-I462 HydrophobicContact CG2-CG1 4.26Å; V460-Q476 CarbonylContact O-C 3.44Å; V460-Q476 VanDerWaalsContact O-CA 3.3Å; V460-Q476 WeakPolarHBondContact O-CA 3.47Å; V460-F477 HydrophobicContact CG1-CB 3.92Å; V460-F477 HydrophobicContact CG1-CD2 4.34Å; V460-F477 PolarHBondContact N-O 2.99Å; V460-F477 PolarHBondContact O-N 3.01Å; V460-L487 HydrophobicContact CG1-CD1 4.24Å; V460-L487 HydrophobicContact CG1-CD2 4.33Å; V460-L487 HydrophobicContact CG1-CG 4.04Å; V460-L488 HydrophobicContact CB-CD2 4.36Å; V460-L488 HydrophobicContact CG2-CD2 4.19Å; V460-A491 HydrophobicContact CG1-CB 3.64Å
461S98.9Very high97.3Very high0 Ų016.4 Ų16.40%010%0.098CC..EExtended strand (participates in β ladder)trans-92.1132.6166.8-172.80000109.5V206 G207 T422 L475V206-S461 WeakPolarHBondContact CA-O 3.39Å; G207-S461 PolarHBondContact N-O 3.08Å; G207-S461 PolarHBondContact O-N 3.41Å; T422-S461 WeakPolarHBondContact CG2-OG 3.5Å; T422-S461 PolarHBondContact OG1-OG 3.41Å; S461-L475 CarbonylContact C-O 3.49Å; S461-L475 WeakPolarHBondContact CA-O 3.24Å
462I98.6Very high97.3Very high1 Ų116.5 Ų16.51%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-122.3130.4179.4-57.6-61.3000108.3V206 V237 V460 V464 G474 L475 F477 A491 F494 E495V206-I462 HydrophobicContact CB-CD1 4.4Å; V206-I462 HydrophobicContact CG1-CD1 3.94Å; V206-I462 HydrophobicContact CG2-CD1 3.82Å; V237-I462 HydrophobicContact CG2-CD1 3.41Å; V237-I462 VanDerWaalsContact CG2-CD1 3.41Å; V460-I462 HydrophobicContact CG2-CD1 3.65Å; V460-I462 HydrophobicContact CG2-CG1 4.26Å; I462-V464 VanDerWaalsContact O-CG2 3.27Å; I462-V464 WeakPolarHBondContact O-CG2 3.4Å; I462-G474 CarbonylContact O-C 3.54Å; I462-G474 VanDerWaalsContact O-CA 3.27Å; I462-G474 WeakPolarHBondContact O-CA 3.26Å; I462-L475 PolarHBondContact N-O 2.69Å; I462-L475 PolarHBondContact O-N 3.39Å; I462-F477 HydrophobicContact CG1-CD2 4.16Å; I462-F477 HydrophobicContact CG1-CE2 4.18Å; I462-A491 HydrophobicContact CD1-CB 4.02Å; I462-A491 HydrophobicContact CG1-CB 4.14Å; I462-F494 HydrophobicContact CB-CD1 4.48Å; I462-F494 HydrophobicContact CG2-CD1 4.12Å; I462-E495 HydrophobicContact CG2-CB 4.34Å
463P98.2Very high97.3Very high7 Ų716.5 Ų16.55%0.04510%0.098CC..EExtended strand (participates in β ladder)trans-73.4133.817533.6-33.4000109.2L205 F500L205-P463 WeakPolarHBondContact O-CD 3.3Å; P463-F500 HydrophobicContact CB-CB 4.3Å; P463-F500 HydrophobicContact CB-CD1 3.67Å; P463-F500 HydrophobicContact CB-CD2 3.83Å; P463-F500 HydrophobicContact CB-CE1 3.87Å; P463-F500 HydrophobicContact CB-CE2 4.04Å; P463-F500 HydrophobicContact CB-CG 3.65Å; P463-F500 HydrophobicContact CB-CZ 4.07Å; P463-F500 HydrophobicContact CG-CB 4.18Å; P463-F500 HydrophobicContact CG-CD1 3.72Å; P463-F500 HydrophobicContact CG-CE1 4.26Å; P463-F500 HydrophobicContact CG-CG 3.9Å; P463-F500 WeakPolarHBondContact O-CB 3.3Å
464V97.7Very high97.3Very high14 Ų1416.4 Ų16.49%0.08510%0.098CC..EExtended strand (participates in β ladder)trans-116.2-43.6-166.9-176.40000112.3L297 I462 I473 L475 F494 V498L297-V464 HydrophobicContact CD2-CG1 4.46Å; I462-V464 VanDerWaalsContact O-CG2 3.27Å; I462-V464 WeakPolarHBondContact O-CG2 3.4Å; V464-I473 PolarHBondContact N-O 3.44Å; V464-L475 HydrophobicContact CB-CG 4.48Å; V464-L475 HydrophobicContact CG1-CD1 4.35Å; V464-L475 HydrophobicContact CG2-CB 3.76Å; V464-L475 HydrophobicContact CG2-CD1 3.95Å; V464-L475 HydrophobicContact CG2-CG 3.64Å; V464-F494 HydrophobicContact CG1-CE1 4.42Å; V464-F494 HydrophobicContact CG1-CZ 4.23Å; V464-F494 HydrophobicContact CG2-CE1 3.77Å; V464-F494 HydrophobicContact CG2-CZ 4.28Å; V464-V498 HydrophobicContact CG1-CB 4.29Å; V464-V498 HydrophobicContact CG1-CG1 3.94Å
465A97.4Very high97.3Very high25 Ų2516.2 Ų16.221%0.20710%0.097CC..EExtended strand (participates in β ladder)trans-157.4167.8-179.800000110.7L297 I473 F500L297-A465 HydrophobicContact CD1-CB 3.93Å; L297-A465 HydrophobicContact CD2-CB 3.74Å; A465-I473 PolarHBondContact O-N 3.37Å; A465-F500 WeakPolarHBondContact O-CE2 3.38Å
466L97.3Very high97.4Very high49 Ų4915 Ų1526%0.2579%0.087SC..EExtended strand (participates in β ladder)trans-88.5138.8163.4-60.1178.7000109.6W142 Q147 L471 P472 F500 P501W142-L466 HydrophobicContact CE3-CD2 4.15Å; W142-L466 HydrophobicContact CH2-CD1 4.48Å; W142-L466 HydrophobicContact CH2-CD2 3.54Å; W142-L466 HydrophobicContact CZ2-CD2 4.39Å; W142-L466 HydrophobicContact CZ3-CD1 4.11Å; W142-L466 HydrophobicContact CZ3-CD2 3.38Å; W142-L466 HydrophobicContact CZ3-CG 4.41Å; Q147-L466 HydrophobicContact CB-CD1 4.21Å; Q147-L466 HydrophobicContact CG-CD1 3.97Å; L466-L471 CarbonylContact C-O 3.52Å; L466-L471 VanDerWaalsContact CA-O 3.25Å; L466-L471 WeakPolarHBondContact CA-O 3.12Å; L466-P472 HydrophobicContact CD2-CG 4.46Å; L466-F500 HydrophobicContact CD2-CE2 3.7Å; L466-F500 HydrophobicContact CD2-CZ 3.76Å; L466-F500 HydrophobicContact CG-CE2 4.27Å; L466-P501 HydrophobicContact CD1-CG 3.75Å; L466-P501 HydrophobicContact CD2-CG 4.42Å; L466-P501 HydrophobicContact CG-CG 3.83Å
467S96.2Very high97.4Very high8 Ų814.4 Ų14.46%0.0568%0.081CC..  trans-64.5172.7169.675.90000111E293 Q469 G470 L471E293-S467 WeakPolarHBondContact OE2-CA 3.44Å; E293-S467 WeakPolarHBondContact OE2-CB 3.41Å; S467-Q469 PolarHBondContact O-N 2.97Å; S467-Q469 VanDerWaalsContact O-N 3.11Å; S467-Q469 PolarHBondContact OG-N 2.93Å; S467-G470 WeakPolarHBondContact O-CA 3.35Å; S467-G470 PolarHBondContact O-N 3.37Å; S467-L471 PolarHBondContact N-O 3.38Å; S467-L471 PolarHBondContact OG-N 3.45Å
468N93.9Very high97.4Very high108 Ų10813.8 Ų13.858%0.5788%0.078SC*.THydrogen-bonded Turntrans-57.9-24.2172.7-70-43.1000113.4E293 G470E293-N468 PolarHBondContact OE1-ND2 3.18Å; E293-N468 PolarHBondContact OE2-N 3.12Å; E293-N468 PolarHBondContact OE2-ND2 3.05Å; N468-G470 VanDerWaalsContact C-N 3.28Å
469Q91.2Very high97.4Very high68 Ų6813.9 Ų13.932%0.3188%0.079SC..THydrogen-bonded Turntrans-82.2-2.6174.1-59-56.8-43.400113.1Y148 S467 L471Y148-Q469 WeakPolarHBondContact CD2-O 3.27Å; S467-Q469 PolarHBondContact O-N 2.97Å; S467-Q469 VanDerWaalsContact O-N 3.11Å; S467-Q469 PolarHBondContact OG-N 2.93Å; Q469-L471 HydrophobicContact CB-CD1 4.42Å; Q469-L471 HydrophobicContact CB-CG 4.37Å
470G93.8Very high97.3Very high5 Ų517.6 Ų17.65%0.0529%0.093CC..SBendtrans78.925.5-176.700000113.4S467 N468S467-G470 WeakPolarHBondContact O-CA 3.35Å; S467-G470 PolarHBondContact O-N 3.37Å; N468-G470 VanDerWaalsContact C-N 3.28Å
471L96.3Very high97.1Very high4 Ų419.9 Ų19.92%0.02111%0.111CC..  trans-112.1149.6-177.1-65.8179.4000113W142 Y148 L166 E426 L466 S467 Q469W142-L471 HydrophobicContact CB-CD2 3.92Å; Y148-L471 HydrophobicContact CD2-CD1 3.89Å; Y148-L471 HydrophobicContact CD2-CD2 3.41Å; Y148-L471 VanDerWaalsContact CD2-CD2 3.41Å; Y148-L471 HydrophobicContact CD2-CG 3.56Å; Y148-L471 HydrophobicContact CE2-CD1 3.63Å; Y148-L471 HydrophobicContact CE2-CD2 3.96Å; Y148-L471 HydrophobicContact CE2-CG 3.88Å; Y148-L471 HydrophobicContact CG-CD2 3.76Å; Y148-L471 HydrophobicContact CG-CG 4.4Å; L166-L471 HydrophobicContact CD1-CD1 3.53Å; L166-L471 HydrophobicContact CD1-CD2 3.29Å; L166-L471 HydrophobicContact CD1-CG 4.04Å; L166-L471 HydrophobicContact CD2-CD1 3.98Å; L166-L471 HydrophobicContact CG-CD1 4.41Å; E426-L471 HydrophobicContact CB-CB 3.78Å; E426-L471 HydrophobicContact CB-CD1 4.36Å; E426-L471 HydrophobicContact CG-CB 4.06Å; E426-L471 HydrophobicContact CG-CD1 3.92Å; L466-L471 CarbonylContact C-O 3.52Å; L466-L471 VanDerWaalsContact CA-O 3.25Å; L466-L471 WeakPolarHBondContact CA-O 3.12Å; S467-L471 PolarHBondContact N-O 3.38Å; S467-L471 PolarHBondContact OG-N 3.45Å; Q469-L471 HydrophobicContact CB-CD1 4.42Å; Q469-L471 HydrophobicContact CB-CG 4.37Å
472P98Very high96.9Very high1 Ų122.5 Ų22.51%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-61.4140.9-178.6-22.934.4000113.7W142 A201 L466 F500W142-P472 HydrophobicContact CD2-CG 3.45Å; W142-P472 VanDerWaalsContact CD2-CG 3.45Å; W142-P472 HydrophobicContact CE3-CG 4.1Å; W142-P472 HydrophobicContact CG-CG 3.67Å; W142-P472 HydrophobicContact CH2-CG 4.41Å; W142-P472 HydrophobicContact CZ2-CG 3.8Å; W142-P472 VanDerWaalsContact NE1-CG 3.34Å; A201-P472 WeakPolarHBondContact O-CB 3.34Å; L466-P472 HydrophobicContact CD2-CG 4.46Å; P472-F500 HydrophobicContact CB-CE2 4.31Å; P472-F500 HydrophobicContact CB-CZ 3.92Å; P472-F500 HydrophobicContact CG-CZ 4.07Å
473I98.4Very high96.6Very high0 Ų024.2 Ų24.20%014%0.135CC..EExtended strand (participates in β ladder)trans-121.4130.3165.1-65.6173.1000108.4E293 V294 L297 E426 V464 A465E293-I473 HydrophobicContact CB-CD1 4.02Å; V294-I473 HydrophobicContact CG2-CD1 4.34Å; V294-I473 HydrophobicContact CG2-CG2 3.83Å; L297-I473 HydrophobicContact CD1-CB 3.92Å; L297-I473 HydrophobicContact CD1-CD1 3.65Å; L297-I473 HydrophobicContact CD1-CG1 4.39Å; L297-I473 HydrophobicContact CD1-CG2 3.67Å; E426-I473 HydrophobicContact CB-CG1 4.39Å; V464-I473 PolarHBondContact N-O 3.44Å; A465-I473 PolarHBondContact O-N 3.37Å
474G98.2Very high96.5Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-113.2140.2179.800000113.9T422 I462T422-G474 WeakPolarHBondContact CB-O 3.45Å; T422-G474 PolarHBondContact N-O 2.99Å; T422-G474 PolarHBondContact OG1-O 3.42Å; T422-G474 VanDerWaalsContact OG1-O 3.1Å; I462-G474 CarbonylContact O-C 3.54Å; I462-G474 VanDerWaalsContact O-CA 3.27Å; I462-G474 WeakPolarHBondContact O-CA 3.26Å
475L98.8Very high96.3Very high0 Ų026.3 Ų26.30%014%0.143CC..EExtended strand (participates in β ladder)trans-108.3152.2168.1-64-178.9000110.1W298 A301 L419 T422 S461 I462 V464 F494W298-L475 HydrophobicContact CB-CD2 4.08Å; A301-L475 HydrophobicContact CB-CD1 3.42Å; A301-L475 VanDerWaalsContact CB-CD1 3.42Å; L419-L475 HydrophobicContact CD1-CB 4.18Å; L419-L475 HydrophobicContact CD1-CD1 4.28Å; T422-L475 PolarHBondContact OG1-O 3.24Å; S461-L475 CarbonylContact C-O 3.49Å; S461-L475 WeakPolarHBondContact CA-O 3.24Å; I462-L475 PolarHBondContact N-O 2.69Å; I462-L475 PolarHBondContact O-N 3.39Å; V464-L475 HydrophobicContact CB-CG 4.48Å; V464-L475 HydrophobicContact CG1-CD1 4.35Å; V464-L475 HydrophobicContact CG2-CB 3.76Å; V464-L475 HydrophobicContact CG2-CD1 3.95Å; V464-L475 HydrophobicContact CG2-CG 3.64Å; L475-F494 HydrophobicContact CD1-CZ 4.22Å
476Q98.9Very high96.1Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-113.1138.1-175.2170.7-179.7-12100110.5R197 T420 T422 F448 A459 V460 I478R197-Q476 VanDerWaalsContact CD-OE1 3.25Å; T420-Q476 PolarHBondContact N-O 2.93Å; T420-Q476 PolarHBondContact O-N 2.74Å; T420-Q476 PolarHBondContact OG1-NE2 3.36Å; T422-Q476 PolarHBondContact OG1-N 3.09Å; F448-Q476 PolarHBondContact O-NE2 3.25Å; A459-Q476 HydrophobicContact CB-CG 4.29Å; V460-Q476 CarbonylContact O-C 3.44Å; V460-Q476 VanDerWaalsContact O-CA 3.3Å; V460-Q476 WeakPolarHBondContact O-CA 3.47Å; Q476-I478 HydrophobicContact CG-CG1 3.97Å
477F98.9Very high96.1Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-108.6133.4164.9-62.5-85.6000109.7F305 V417 L418 L419 A459 V460 I462 L487 V490 A491 F494F305-F477 AromaticContact CE2-CE1 3.5Å; F305-F477 HydrophobicContact CE2-CE1 3.5Å; F305-F477 AromaticContact CE2-CZ 3.75Å; F305-F477 HydrophobicContact CE2-CZ 3.75Å; F305-F477 AromaticContact CZ-CE1 3.57Å; F305-F477 HydrophobicContact CZ-CE1 3.57Å; F305-F477 AromaticContact CZ-CZ 3.9Å; F305-F477 HydrophobicContact CZ-CZ 3.9Å; V417-F477 HydrophobicContact CG1-CB 3.84Å; V417-F477 HydrophobicContact CG1-CD1 3.76Å; V417-F477 HydrophobicContact CG1-CG 4.29Å; L418-F477 CarbonylContact O-C 3.26Å; L418-F477 VanDerWaalsContact O-CA 3.29Å; L418-F477 WeakPolarHBondContact O-CA 3.34Å; L419-F477 HydrophobicContact CB-CD1 4.42Å; L419-F477 HydrophobicContact CB-CE1 4.29Å; L419-F477 HydrophobicContact CD1-CD1 4.16Å; L419-F477 HydrophobicContact CD1-CE1 3.68Å; L419-F477 HydrophobicContact CD1-CE2 4.45Å; L419-F477 HydrophobicContact CD1-CZ 3.83Å; L419-F477 HydrophobicContact CG-CE1 4.42Å; A459-F477 CarbonylContact C-O 3.58Å; A459-F477 WeakPolarHBondContact CA-O 3.47Å; V460-F477 HydrophobicContact CG1-CB 3.92Å; V460-F477 HydrophobicContact CG1-CD2 4.34Å; V460-F477 PolarHBondContact N-O 2.99Å; V460-F477 PolarHBondContact O-N 3.01Å; I462-F477 HydrophobicContact CG1-CD2 4.16Å; I462-F477 HydrophobicContact CG1-CE2 4.18Å; F477-L487 HydrophobicContact CB-CD1 3.53Å; F477-V490 HydrophobicContact CD1-CG1 4.42Å; F477-V490 HydrophobicContact CE1-CG1 4.41Å; F477-A491 HydrophobicContact CD2-CB 4.49Å; F477-F494 HydrophobicContact CE2-CB 4.08Å; F477-F494 AromaticContact CE2-CD1 3.46Å; F477-F494 HydrophobicContact CE2-CD1 3.46Å; F477-F494 VanDerWaalsContact CE2-CD1 3.46Å; F477-F494 AromaticContact CE2-CE1 3.99Å; F477-F494 HydrophobicContact CE2-CE1 3.99Å; F477-F494 AromaticContact CE2-CG 3.84Å; F477-F494 HydrophobicContact CE2-CG 3.84Å; F477-F494 HydrophobicContact CZ-CB 3.83Å; F477-F494 AromaticContact CZ-CD1 3.53Å; F477-F494 HydrophobicContact CZ-CD1 3.53Å; F477-F494 AromaticContact CZ-CD2 3.94Å; F477-F494 HydrophobicContact CZ-CD2 3.94Å; F477-F494 AromaticContact CZ-CE1 3.98Å; F477-F494 HydrophobicContact CZ-CE1 3.98Å; F477-F494 HydrophobicContact CZ-CE2 4.37Å; F477-F494 AromaticContact CZ-CG 3.49Å; F477-F494 HydrophobicContact CZ-CG 3.49Å; F477-F494 VanDerWaalsContact CZ-CG 3.49Å; F477-F494 HydrophobicContact CZ-CZ 4.39Å
478I98.9Very high96.1Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-116123.1176.4-51.2161.5000108.3F407 L418 T420 V452 L457 A459 Q476F407-I478 HydrophobicContact CE1-CD1 4.16Å; F407-I478 HydrophobicContact CE1-CG2 4.4Å; L418-I478 HydrophobicContact CB-CB 4.16Å; L418-I478 HydrophobicContact CB-CD1 4.45Å; L418-I478 HydrophobicContact CD1-CD1 4.49Å; L418-I478 PolarHBondContact N-O 3.02Å; L418-I478 PolarHBondContact O-N 3.29Å; T420-I478 HydrophobicContact CG2-CD1 3.92Å; V452-I478 HydrophobicContact CG1-CG2 4.05Å; V452-I478 HydrophobicContact CG2-CD1 3.57Å; V452-I478 HydrophobicContact CG2-CG1 3.9Å; V452-I478 HydrophobicContact CG2-CG2 4.3Å; L457-I478 HydrophobicContact CB-CG2 4.1Å; L457-I478 HydrophobicContact CD1-CG2 4.05Å; A459-I478 HydrophobicContact CB-CG1 4.19Å; Q476-I478 HydrophobicContact CG-CG1 3.97Å
479G98.3Very high96.2Very high2 Ų221.7 Ų21.72%0.02111%0.113CC..PPolyproline II helixtrans-101.2171.6-179.300000112.7F411 P458F411-G479 VanDerWaalsContact CZ-C 3.45Å; F411-G479 WeakPolarHBondContact CZ-O 3.42Å; P458-G479 WeakPolarHBondContact CD-O 3.36Å; P458-G479 PolarHBondContact O-N 3.45Å
480R96.4Very high96.5Very high78 Ų7818.7 Ų18.729%0.29410%0.1SC..PPolyproline II helixtrans-68.3149.7167.6-64.6179.2-173.2-157.72110.3F411 V415 P458 F482 C483F411-R480 HydrophobicContact CB-CG 4.01Å; F411-R480 HydrophobicContact CD1-CG 3.5Å; F411-R480 VanDerWaalsContact CD1-CG 3.5Å; F411-R480 HydrophobicContact CD2-CG 3.82Å; F411-R480 HydrophobicContact CE1-CG 3.82Å; F411-R480 HydrophobicContact CE2-CG 4.12Å; F411-R480 HydrophobicContact CG-CG 3.51Å; F411-R480 HydrophobicContact CZ-CG 4.12Å; F411-R480 PolarHBondContact O-NH2 3.42Å; V415-R480 PolarHBondContact O-NE 3.22Å; V415-R480 PolarHBondContact O-NH2 3.12Å; P458-R480 WeakPolarHBondContact CD-O 3.3Å; P458-R480 WeakPolarHBondContact CG-O 3.37Å; R480-F482 PolarHBondContact O-N 3.24Å; R480-C483 HydrophobicContact CB-CB 4.07Å; R480-C483 WeakPolarHBondContact O-CB 3.33Å; R480-C483 PolarHBondContact O-N 3.39Å
481A94.9Very high96.7Very high48 Ų4818.5 Ų18.540%0.39710%0.097SC..THydrogen-bonded Turntrans-53131.7174.400000111L457 C483L457-A481 HydrophobicContact CD2-CB 4.12Å; A481-C483 PolarHBondContact O-N 3.18Å
482F93.8Very high96.7Very high54 Ų5419.1 Ų19.124%0.23710%0.1CC..THydrogen-bonded Turntrans61.215.6-178.2-52.1-78.9000115.2S211 Y212 L214 V258 R480 D484S211-F482 PolarHBondContact OG-N 2.93Å; Y212-F482 WeakPolarHBondContact O-CZ 3.44Å; L214-F482 HydrophobicContact CB-CD1 4.45Å; L214-F482 HydrophobicContact CB-CE1 4.26Å; V258-F482 HydrophobicContact CB-CE1 3.97Å; V258-F482 HydrophobicContact CB-CZ 3.75Å; V258-F482 HydrophobicContact CG1-CE1 4.32Å; V258-F482 HydrophobicContact CG1-CZ 3.99Å; V258-F482 HydrophobicContact CG2-CZ 3.89Å; R480-F482 PolarHBondContact O-N 3.24Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 WeakPolarHBondContact CA-OD2 3.45Å
483C94Very high96.7Very high38 Ų3820.1 Ų20.126%0.25710%0.103SC..  trans-99.229.8168.1-67.40000112R480 A481 Q485 Q486 L487R480-C483 HydrophobicContact CB-CB 4.07Å; R480-C483 WeakPolarHBondContact O-CB 3.33Å; R480-C483 PolarHBondContact O-N 3.39Å; A481-C483 PolarHBondContact O-N 3.18Å; C483-Q485 VanDerWaalsContact C-N 3.27Å; C483-Q485 PolarHBondContact O-N 2.92Å; C483-Q486 HydrophobicContact CB-CB 4.32Å; C483-Q486 WeakPolarHBondContact O-CB 3.31Å; C483-Q486 PolarHBondContact O-N 3.16Å; C483-L487 PolarHBondContact O-N 3.5Å
484D95Very high96.7Very high3 Ų320.1 Ų20.12%0.01610%0.104CC..Hα-helixtrans-53.9-39.5-175.8-64.5-117.2000112.8F208 P210 S211 L214 L244 F266 P458 F482 L487 L488F208-D484 HydrophobicContact CZ-CB 4.02Å; F208-D484 WeakPolarHBondContact CZ-OD1 3.44Å; P210-D484 VanDerWaalsContact CA-OD1 3.23Å; P210-D484 WeakPolarHBondContact CA-OD1 3.36Å; S211-D484 WeakPolarHBondContact CB-OD2 3.44Å; S211-D484 PolarHBondContact N-OD1 2.9Å; S211-D484 PolarHBondContact OG-OD2 2.86Å; L214-D484 HydrophobicContact CD2-CB 3.98Å; L214-D484 VanDerWaalsContact CD2-CG 3.42Å; L214-D484 WeakPolarHBondContact CD2-OD1 3.23Å; L244-D484 HydrophobicContact CD2-CB 4.11Å; F266-D484 HydrophobicContact CE2-CB 4.4Å; P458-D484 WeakPolarHBondContact CB-OD1 3.38Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 WeakPolarHBondContact CA-OD2 3.45Å; D484-L487 PolarHBondContact O-N 3.35Å; D484-L488 WeakPolarHBondContact O-CB 3.44Å; D484-L488 WeakPolarHBondContact O-CG 3.22Å; D484-L488 PolarHBondContact O-N 2.97Å
485Q93Very high96.6Very high61 Ų6122 Ų2229%0.28511%0.112SC..Hα-helixtrans-65.1-41.8176.4-169.5179.9-14.600112.4F266 M267 L268 C483 T489F266-Q485 HydrophobicContact CD2-CB 4.22Å; F266-Q485 HydrophobicContact CE2-CB 3.52Å; F266-Q485 HydrophobicContact CE2-CG 4.13Å; F266-Q485 VanDerWaalsContact CZ-CA 3.46Å; F266-Q485 HydrophobicContact CZ-CB 3.81Å; F266-Q485 HydrophobicContact CZ-CG 4.2Å; M267-Q485 PolarHBondContact O-NE2 3.35Å; L268-Q485 HydrophobicContact CD2-CG 4.15Å; C483-Q485 VanDerWaalsContact C-N 3.27Å; C483-Q485 PolarHBondContact O-N 2.92Å; Q485-T489 WeakPolarHBondContact O-CB 3.24Å; Q485-T489 PolarHBondContact O-N 3.45Å; Q485-T489 PolarHBondContact O-OG1 3.33Å
486Q93.5Very high96.4Very high68 Ų6826.8 Ų26.832%0.31813%0.133SC..Hα-helixtrans-64.6-45.6176.2-175.6-174.615.400109.9C483 L488 T489 V490C483-Q486 HydrophobicContact CB-CB 4.32Å; C483-Q486 WeakPolarHBondContact O-CB 3.31Å; C483-Q486 PolarHBondContact O-N 3.16Å; Q486-L488 PolarHBondContact O-N 2.96Å; Q486-T489 WeakPolarHBondContact O-CB 3.46Å; Q486-T489 PolarHBondContact O-N 3.08Å; Q486-T489 VanDerWaalsContact O-N 3.17Å; Q486-V490 WeakPolarHBondContact O-CG2 3.5Å; Q486-V490 PolarHBondContact O-N 3.44Å
487L97.1Very high96.3Very high1 Ų130.8 Ų30.81%0.00515%0.152CC..Hα-helixtrans-57.8-50177.8178.663.3000111.8F208 V417 P458 V460 F477 C483 D484 T489 V490 A491F208-L487 HydrophobicContact CE2-CD2 4.19Å; V417-L487 HydrophobicContact CG1-CD1 3.94Å; V417-L487 HydrophobicContact CG2-CD1 4.5Å; P458-L487 HydrophobicContact CB-CD2 3.85Å; P458-L487 HydrophobicContact CG-CD2 4.13Å; V460-L487 HydrophobicContact CG1-CD1 4.24Å; V460-L487 HydrophobicContact CG1-CD2 4.33Å; V460-L487 HydrophobicContact CG1-CG 4.04Å; F477-L487 HydrophobicContact CB-CD1 3.53Å; C483-L487 PolarHBondContact O-N 3.5Å; D484-L487 PolarHBondContact O-N 3.35Å; L487-T489 VanDerWaalsContact C-N 3.28Å; L487-T489 PolarHBondContact O-N 3.09Å; L487-V490 PolarHBondContact O-N 2.83Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 3.31Å
488L97.2Very high96.1Very high0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-67.6-28.7178.3-71.1177.1000112.3F208 V237 A241 L244 F266 L268 V460 D484 Q486 A491 K492F208-L488 HydrophobicContact CD1-CD1 4.08Å; F208-L488 HydrophobicContact CD1-CD2 4.36Å; F208-L488 HydrophobicContact CD2-CD2 3.91Å; F208-L488 HydrophobicContact CD2-CG 4.45Å; F208-L488 HydrophobicContact CE1-CD1 3.79Å; F208-L488 HydrophobicContact CE1-CG 4.44Å; F208-L488 HydrophobicContact CE2-CD1 4.41Å; F208-L488 HydrophobicContact CE2-CD2 4.15Å; F208-L488 HydrophobicContact CE2-CG 4.2Å; F208-L488 HydrophobicContact CG-CD2 4.01Å; F208-L488 HydrophobicContact CZ-CD1 3.96Å; F208-L488 HydrophobicContact CZ-CD2 4.49Å; F208-L488 HydrophobicContact CZ-CG 4.2Å; V237-L488 HydrophobicContact CG1-CB 4.16Å; V237-L488 HydrophobicContact CG1-CD2 3.98Å; V237-L488 VanDerWaalsContact CG1-O 3.31Å; V237-L488 WeakPolarHBondContact CG1-O 3.43Å; A241-L488 HydrophobicContact CB-CD1 4.29Å; L244-L488 HydrophobicContact CD2-CD1 4.15Å; F266-L488 HydrophobicContact CE1-CD1 3.83Å; F266-L488 HydrophobicContact CZ-CD1 3.79Å; L268-L488 HydrophobicContact CD1-CB 4.1Å; L268-L488 HydrophobicContact CD2-CB 3.82Å; V460-L488 HydrophobicContact CB-CD2 4.36Å; V460-L488 HydrophobicContact CG2-CD2 4.19Å; D484-L488 WeakPolarHBondContact O-CB 3.44Å; D484-L488 WeakPolarHBondContact O-CG 3.22Å; D484-L488 PolarHBondContact O-N 2.97Å; Q486-L488 PolarHBondContact O-N 2.96Å; L488-A491 PolarHBondContact O-N 2.9Å; L488-K492 VanDerWaalsContact O-CB 3.28Å; L488-K492 WeakPolarHBondContact O-CB 3.43Å; L488-K492 PolarHBondContact O-N 2.94Å
489T96.2Very high95.7Very high25 Ų2540 Ų4015%0.15320%0.197CC..Hα-helixtrans-63-44.9171.9-62.20000111.6P269 A272 Q485 Q486 L487 W493P269-T489 WeakPolarHBondContact CD-OG1 3.42Å; P269-T489 HydrophobicContact CG-CG2 3.47Å; P269-T489 VanDerWaalsContact CG-CG2 3.47Å; A272-T489 HydrophobicContact CB-CG2 3.57Å; Q485-T489 WeakPolarHBondContact O-CB 3.24Å; Q485-T489 PolarHBondContact O-N 3.45Å; Q485-T489 PolarHBondContact O-OG1 3.33Å; Q486-T489 WeakPolarHBondContact O-CB 3.46Å; Q486-T489 PolarHBondContact O-N 3.08Å; Q486-T489 VanDerWaalsContact O-N 3.17Å; L487-T489 VanDerWaalsContact C-N 3.28Å; L487-T489 PolarHBondContact O-N 3.09Å; T489-W493 PolarHBondContact O-N 3.44Å
490V97.3Very high95.6Very high5 Ų541.7 Ų41.73%0.0320%0.204CC..Hα-helixtrans-65.7-43.2175.7177.50000110.9L277 F305 V417 F477 Q486 L487 K492 W493 F494L277-V490 HydrophobicContact CD1-CG1 4.34Å; L277-V490 HydrophobicContact CD1-CG2 3.48Å; L277-V490 VanDerWaalsContact CD1-CG2 3.48Å; F305-V490 HydrophobicContact CE1-CG1 3.88Å; F305-V490 HydrophobicContact CZ-CG1 3.83Å; V417-V490 HydrophobicContact CG2-CG2 4.18Å; F477-V490 HydrophobicContact CD1-CG1 4.42Å; F477-V490 HydrophobicContact CE1-CG1 4.41Å; Q486-V490 WeakPolarHBondContact O-CG2 3.5Å; Q486-V490 PolarHBondContact O-N 3.44Å; L487-V490 PolarHBondContact O-N 2.83Å; V490-K492 PolarHBondContact O-N 3.28Å; V490-W493 WeakPolarHBondContact O-CB 3.42Å; V490-W493 PolarHBondContact O-N 3.16Å; V490-F494 PolarHBondContact O-N 3.22Å
491A97.8Very high95.3Very high0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-63.4-40.7178.900000112.4V237 V460 I462 F477 L487 L488 W493 F494 E495V237-A491 HydrophobicContact CG1-CB 4.27Å; V237-A491 HydrophobicContact CG2-CB 4.07Å; V460-A491 HydrophobicContact CG1-CB 3.64Å; I462-A491 HydrophobicContact CD1-CB 4.02Å; I462-A491 HydrophobicContact CG1-CB 4.14Å; F477-A491 HydrophobicContact CD2-CB 4.49Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 3.31Å; L488-A491 PolarHBondContact O-N 2.9Å; A491-W493 VanDerWaalsContact C-N 3.32Å; A491-W493 PolarHBondContact O-N 3.23Å; A491-F494 PolarHBondContact O-N 3.33Å; A491-E495 WeakPolarHBondContact O-CB 3.47Å; A491-E495 PolarHBondContact O-N 3.27Å
492K96.8Very high94.8Very high18 Ų1842.8 Ų42.88%0.07822%0.215CC..Hα-helixtrans-61-41.5174.8175.6179-178164.90111.8V237 D238 L268 P269 L488 V490 K496V237-K492 HydrophobicContact CB-CB 4.16Å; V237-K492 HydrophobicContact CG1-CB 3.81Å; D238-K492 VanDerWaalsContact CG-NZ 3.3Å; D238-K492 WeakPolarHBondContact OD1-CD 3.38Å; D238-K492 WeakPolarHBondContact OD1-CE 3.33Å; D238-K492 IonicContact OD1-NZ 3.93Å; D238-K492 PolarHBondContact OD1-NZ 3.13Å; D238-K492 WeakPolarHBondContact OD2-CE 3.29Å; D238-K492 IonicContact OD2-NZ 3.44Å; D238-K492 PolarHBondContact OD2-NZ 3.15Å; D238-K492 VanDerWaalsContact OD2-NZ 3.1Å; L268-K492 HydrophobicContact CB-CD 4.07Å; L268-K492 HydrophobicContact CD1-CB 4.3Å; L268-K492 HydrophobicContact CD1-CD 3.99Å; P269-K492 PolarHBondContact O-NZ 2.87Å; P269-K492 VanDerWaalsContact O-NZ 3.11Å; L488-K492 VanDerWaalsContact O-CB 3.28Å; L488-K492 WeakPolarHBondContact O-CB 3.43Å; L488-K492 PolarHBondContact O-N 2.94Å; V490-K492 PolarHBondContact O-N 3.28Å; K492-K496 WeakPolarHBondContact O-CG 3.24Å; K492-K496 PolarHBondContact O-N 3.12Å
493W97.2Very high94.5Very high21 Ų2140.8 Ų40.88%0.0821%0.207CC..Hα-helixtrans-60-50.3174177.987.7000110.8A272 V274 L304 F305 E308 T489 V490 A491 K496 Q497A272-W493 HydrophobicContact CB-CB 3.98Å; A272-W493 VanDerWaalsContact O-CD1 3.29Å; V274-W493 HydrophobicContact CB-CD2 4.41Å; V274-W493 HydrophobicContact CG1-CB 4.15Å; V274-W493 HydrophobicContact CG1-CD2 3.43Å; V274-W493 VanDerWaalsContact CG1-CD2 3.43Å; V274-W493 HydrophobicContact CG1-CE3 3.73Å; V274-W493 HydrophobicContact CG1-CG 3.6Å; V274-W493 HydrophobicContact CG1-CZ2 4.37Å; V274-W493 HydrophobicContact CG1-CZ3 4.32Å; V274-W493 HydrophobicContact CG2-CD2 4.12Å; V274-W493 HydrophobicContact CG2-CE3 4.42Å; V274-W493 HydrophobicContact CG2-CH2 3.83Å; V274-W493 HydrophobicContact CG2-CZ2 3.46Å; V274-W493 VanDerWaalsContact CG2-CZ2 3.46Å; V274-W493 HydrophobicContact CG2-CZ3 4.3Å; L304-W493 HydrophobicContact CD2-CH2 4.46Å; L304-W493 HydrophobicContact CG-CH2 4.02Å; F305-W493 HydrophobicContact CD1-CE3 4.29Å; F305-W493 HydrophobicContact CD1-CH2 4.15Å; F305-W493 AromaticContact CD1-CZ3 3.61Å; F305-W493 HydrophobicContact CD1-CZ3 3.61Å; F305-W493 HydrophobicContact CD2-CZ3 4.35Å; F305-W493 AromaticContact CE1-CE3 3.61Å; F305-W493 HydrophobicContact CE1-CE3 3.61Å; F305-W493 HydrophobicContact CE1-CH2 4.28Å; F305-W493 AromaticContact CE1-CZ3 3.33Å; F305-W493 HydrophobicContact CE1-CZ3 3.33Å; F305-W493 HydrophobicContact CE2-CZ3 4.1Å; F305-W493 HydrophobicContact CG-CZ3 4.12Å; F305-W493 AromaticContact CZ-CE3 3.84Å; F305-W493 HydrophobicContact CZ-CE3 3.84Å; F305-W493 AromaticContact CZ-CZ3 3.59Å; F305-W493 HydrophobicContact CZ-CZ3 3.59Å; E308-W493 HydrophobicContact CB-CH2 3.97Å; E308-W493 HydrophobicContact CB-CZ2 3.68Å; E308-W493 HydrophobicContact CG-CH2 3.87Å; E308-W493 HydrophobicContact CG-CZ2 3.55Å; T489-W493 PolarHBondContact O-N 3.44Å; V490-W493 WeakPolarHBondContact O-CB 3.42Å; V490-W493 PolarHBondContact O-N 3.16Å; A491-W493 VanDerWaalsContact C-N 3.32Å; A491-W493 PolarHBondContact O-N 3.23Å; W493-K496 WeakPolarHBondContact O-CB 3.32Å; W493-K496 PolarHBondContact O-N 3.31Å; W493-Q497 HydrophobicContact CD2-CG 4.18Å; W493-Q497 HydrophobicContact CE3-CG 4.28Å; W493-Q497 HydrophobicContact CH2-CG 3.99Å; W493-Q497 HydrophobicContact CZ2-CG 3.87Å; W493-Q497 HydrophobicContact CZ3-CG 4.19Å; W493-Q497 WeakPolarHBondContact O-CG 3.44Å; W493-Q497 PolarHBondContact O-N 2.95Å
494F97.9Very high94.1Very high1 Ų144.1 Ų44.10%0.00422%0.218CC..Hα-helixtrans-65-42.6-176.6-175.5-105.9000112.5A301 L304 F305 I462 V464 L475 F477 V490 A491 K496 Q497 V498A301-F494 HydrophobicContact CB-CE2 3.68Å; A301-F494 HydrophobicContact CB-CZ 3.58Å; L304-F494 HydrophobicContact CD2-CD2 4.15Å; L304-F494 HydrophobicContact CD2-CE2 3.98Å; F305-F494 AromaticContact CE2-CD2 3.67Å; F305-F494 HydrophobicContact CE2-CD2 3.67Å; F305-F494 HydrophobicContact CE2-CE2 4.12Å; F305-F494 HydrophobicContact CE2-CG 4.38Å; F305-F494 HydrophobicContact CZ-CB 4.27Å; F305-F494 HydrophobicContact CZ-CD2 4.05Å; F305-F494 HydrophobicContact CZ-CG 4.46Å; I462-F494 HydrophobicContact CB-CD1 4.48Å; I462-F494 HydrophobicContact CG2-CD1 4.12Å; V464-F494 HydrophobicContact CG1-CE1 4.42Å; V464-F494 HydrophobicContact CG1-CZ 4.23Å; V464-F494 HydrophobicContact CG2-CE1 3.77Å; V464-F494 HydrophobicContact CG2-CZ 4.28Å; L475-F494 HydrophobicContact CD1-CZ 4.22Å; F477-F494 HydrophobicContact CE2-CB 4.08Å; F477-F494 AromaticContact CE2-CD1 3.46Å; F477-F494 HydrophobicContact CE2-CD1 3.46Å; F477-F494 VanDerWaalsContact CE2-CD1 3.46Å; F477-F494 AromaticContact CE2-CE1 3.99Å; F477-F494 HydrophobicContact CE2-CE1 3.99Å; F477-F494 AromaticContact CE2-CG 3.84Å; F477-F494 HydrophobicContact CE2-CG 3.84Å; F477-F494 HydrophobicContact CZ-CB 3.83Å; F477-F494 AromaticContact CZ-CD1 3.53Å; F477-F494 HydrophobicContact CZ-CD1 3.53Å; F477-F494 AromaticContact CZ-CD2 3.94Å; F477-F494 HydrophobicContact CZ-CD2 3.94Å; F477-F494 AromaticContact CZ-CE1 3.98Å; F477-F494 HydrophobicContact CZ-CE1 3.98Å; F477-F494 HydrophobicContact CZ-CE2 4.37Å; F477-F494 AromaticContact CZ-CG 3.49Å; F477-F494 HydrophobicContact CZ-CG 3.49Å; F477-F494 VanDerWaalsContact CZ-CG 3.49Å; F477-F494 HydrophobicContact CZ-CZ 4.39Å; V490-F494 PolarHBondContact O-N 3.22Å; A491-F494 PolarHBondContact O-N 3.33Å; F494-K496 VanDerWaalsContact C-N 3.25Å; F494-K496 PolarHBondContact O-N 2.88Å; F494-Q497 WeakPolarHBondContact O-CB 3.46Å; F494-Q497 PolarHBondContact O-N 2.81Å; F494-V498 HydrophobicContact CD1-CG1 4.19Å; F494-V498 HydrophobicContact CD2-CG1 4.32Å; F494-V498 HydrophobicContact CE1-CG1 3.75Å; F494-V498 HydrophobicContact CE2-CG1 3.88Å; F494-V498 HydrophobicContact CG-CG1 4.46Å; F494-V498 HydrophobicContact CZ-CG1 3.57Å; F494-V498 PolarHBondContact O-N 3.49Å; F494-V498 VanDerWaalsContact O-N 3.13Å
495E97.1Very high93.1Very high38 Ų3844.5 Ų44.518%0.17822%0.22CC..Hα-helixtrans-51.6-44173.6176.6-179.2-103.800111.9V206 C236 V237 I462 A491 Q497 V498 Q499V206-E495 WeakPolarHBondContact CG2-OE1 3.33Å; C236-E495 WeakPolarHBondContact CA-OE1 3.22Å; V237-E495 HydrophobicContact CG2-CB 4.22Å; V237-E495 PolarHBondContact N-OE1 3.04Å; V237-E495 PolarHBondContact N-OE2 2.9Å; I462-E495 HydrophobicContact CG2-CB 4.34Å; A491-E495 WeakPolarHBondContact O-CB 3.47Å; A491-E495 PolarHBondContact O-N 3.27Å; E495-Q497 VanDerWaalsContact C-N 3.3Å; E495-Q497 PolarHBondContact O-N 3.07Å; E495-V498 PolarHBondContact O-N 2.65Å; E495-Q499 PolarHBondContact O-N 2.65Å
496K94.9Very high91.4Very high102 Ų10244.8 Ų44.844%0.44322%0.222SC..Hα-helixtrans-65.2-30.5177.7-72.9-179.9177.3-174.30113.6S270 K492 W493 F494 Q499S270-K496 PolarHBondContact O-NZ 2.79Å; S270-K496 VanDerWaalsContact O-NZ 3.12Å; K492-K496 WeakPolarHBondContact O-CG 3.24Å; K492-K496 PolarHBondContact O-N 3.12Å; W493-K496 WeakPolarHBondContact O-CB 3.32Å; W493-K496 PolarHBondContact O-N 3.31Å; F494-K496 VanDerWaalsContact C-N 3.25Å; F494-K496 PolarHBondContact O-N 2.88Å; K496-Q499 VanDerWaalsContact O-CG 3.27Å; K496-Q499 WeakPolarHBondContact O-CG 3.24Å
497Q96.2Very high89.4Confident84 Ų8447.6 Ų47.639%0.39324%0.235SC..Hα-helixtrans-77.1-37.7179.7-57.2-53.7-30.700112.2L304 W493 F494 E495L304-Q497 HydrophobicContact CD2-CB 3.56Å; L304-Q497 HydrophobicContact CD2-CG 4.03Å; W493-Q497 HydrophobicContact CD2-CG 4.18Å; W493-Q497 HydrophobicContact CE3-CG 4.28Å; W493-Q497 HydrophobicContact CH2-CG 3.99Å; W493-Q497 HydrophobicContact CZ2-CG 3.87Å; W493-Q497 HydrophobicContact CZ3-CG 4.19Å; W493-Q497 WeakPolarHBondContact O-CG 3.44Å; W493-Q497 PolarHBondContact O-N 2.95Å; F494-Q497 WeakPolarHBondContact O-CB 3.46Å; F494-Q497 PolarHBondContact O-N 2.81Å; E495-Q497 VanDerWaalsContact C-N 3.3Å; E495-Q497 PolarHBondContact O-N 3.07Å
498V95.1Very high87.2Confident33 Ų3348.6 Ų48.620%0.224%0.24CC..Hα-helixtrans-86.3-23.8-172.6-57.20000113.2V464 F494 E495 F500V464-V498 HydrophobicContact CG1-CB 4.29Å; V464-V498 HydrophobicContact CG1-CG1 3.94Å; F494-V498 HydrophobicContact CD1-CG1 4.19Å; F494-V498 HydrophobicContact CD2-CG1 4.32Å; F494-V498 HydrophobicContact CE1-CG1 3.75Å; F494-V498 HydrophobicContact CE2-CG1 3.88Å; F494-V498 HydrophobicContact CG-CG1 4.46Å; F494-V498 HydrophobicContact CZ-CG1 3.57Å; F494-V498 PolarHBondContact O-N 3.49Å; F494-V498 VanDerWaalsContact O-N 3.13Å; E495-V498 PolarHBondContact O-N 2.65Å; V498-F500 VanDerWaalsContact C-N 3.29Å; V498-F500 PolarHBondContact O-N 2.61Å
499Q91Very high85Confident161 Ų16154 Ų5475%0.75227%0.267SS*.  trans46.850.2174.1-58.9-171.8-19.100113.1E495 K496E495-Q499 PolarHBondContact O-N 2.65Å; K496-Q499 VanDerWaalsContact O-CG 3.27Å; K496-Q499 WeakPolarHBondContact O-CG 3.24Å
500F95.2Very high82.7Confident37 Ų3758.1 Ų58.116%0.16229%0.288CS..PPolyproline II helixtrans-55133.2-177.6179.2-99000111.2W142 P463 A465 L466 P472 V498W142-F500 HydrophobicContact CH2-CE1 4.16Å; W142-F500 AromaticContact CH2-CZ 3.84Å; W142-F500 HydrophobicContact CH2-CZ 3.84Å; W142-F500 AromaticContact CZ2-CE1 3.76Å; W142-F500 HydrophobicContact CZ2-CE1 3.76Å; W142-F500 AromaticContact CZ2-CZ 3.65Å; W142-F500 HydrophobicContact CZ2-CZ 3.65Å; P463-F500 HydrophobicContact CB-CB 4.3Å; P463-F500 HydrophobicContact CB-CD1 3.67Å; P463-F500 HydrophobicContact CB-CD2 3.83Å; P463-F500 HydrophobicContact CB-CE1 3.87Å; P463-F500 HydrophobicContact CB-CE2 4.04Å; P463-F500 HydrophobicContact CB-CG 3.65Å; P463-F500 HydrophobicContact CB-CZ 4.07Å; P463-F500 HydrophobicContact CG-CB 4.18Å; P463-F500 HydrophobicContact CG-CD1 3.72Å; P463-F500 HydrophobicContact CG-CE1 4.26Å; P463-F500 HydrophobicContact CG-CG 3.9Å; P463-F500 WeakPolarHBondContact O-CB 3.3Å; A465-F500 WeakPolarHBondContact O-CE2 3.38Å; L466-F500 HydrophobicContact CD2-CE2 3.7Å; L466-F500 HydrophobicContact CD2-CZ 3.76Å; L466-F500 HydrophobicContact CG-CE2 4.27Å; P472-F500 HydrophobicContact CB-CE2 4.31Å; P472-F500 HydrophobicContact CB-CZ 3.92Å; P472-F500 HydrophobicContact CG-CZ 4.07Å; V498-F500 VanDerWaalsContact C-N 3.29Å; V498-F500 PolarHBondContact O-N 2.61Å
501P91.1Very high80.1Confident53 Ų5362.2 Ų62.234%0.34431%0.31SS..PPolyproline II helixtrans-68.8142-174.826.9-35.9000112.2L466L466-P501 HydrophobicContact CD1-CG 3.75Å; L466-P501 HydrophobicContact CD2-CG 4.42Å; L466-P501 HydrophobicContact CG-CG 3.83Å
502V82.7Confident77.2Confident96 Ų9666 Ų6658%0.58234%0.335SS*.PPolyproline II helixtrans-66.4135.3169.8-176.70000109.5F182 Q504F182-V502 HydrophobicContact CE1-CG1 4.21Å; F182-V502 HydrophobicContact CZ-CG1 3.6Å; V502-Q504 PolarHBondContact O-N 3.37Å
503I89.4Confident74.3Confident12 Ų1268.5 Ų68.56%0.06236%0.355CS..PPolyproline II helixtrans-56.9133.7176.6-170.3178.6000111P141 W142 S180 F182 L505P141-I503 HydrophobicContact CB-CD1 3.78Å; W142-I503 HydrophobicContact CB-CD1 4.49Å; W142-I503 HydrophobicContact CD2-CB 4.43Å; W142-I503 HydrophobicContact CD2-CD1 3.79Å; W142-I503 HydrophobicContact CD2-CG1 3.9Å; W142-I503 HydrophobicContact CE3-CD1 4.42Å; W142-I503 HydrophobicContact CE3-CG1 4.11Å; W142-I503 HydrophobicContact CG-CD1 3.83Å; W142-I503 HydrophobicContact CG-CG1 4.46Å; W142-I503 HydrophobicContact CH2-CB 3.94Å; W142-I503 HydrophobicContact CH2-CG1 4.18Å; W142-I503 HydrophobicContact CZ2-CB 3.59Å; W142-I503 HydrophobicContact CZ2-CD1 4.44Å; W142-I503 HydrophobicContact CZ2-CG1 3.98Å; W142-I503 HydrophobicContact CZ3-CB 4.5Å; W142-I503 HydrophobicContact CZ3-CG1 4.24Å; S180-I503 WeakPolarHBondContact O-CG2 3.44Å; F182-I503 HydrophobicContact CE2-CG2 3.55Å; F182-I503 HydrophobicContact CZ-CG2 3.85Å; I503-L505 HydrophobicContact CD1-CD1 4.45Å; I503-L505 HydrophobicContact CD1-CD2 3.75Å; I503-L505 HydrophobicContact CD1-CG 3.92Å; I503-L505 HydrophobicContact CG1-CD2 4.35Å; I503-L505 HydrophobicContact CG1-CG 4.14Å; I503-L505 HydrophobicContact CG2-CG 4.49Å
504Q84.5Confident71.3Confident107 Ų10769.4 Ų69.450%0.537%0.367SS..  trans-106.290.4175.7-64.61800.600109.1S145 K146 V502 Q506S145-Q504 WeakPolarHBondContact CA-O 3.39Å; K146-Q504 HydrophobicContact CB-CB 4.34Å; K146-Q504 PolarHBondContact N-O 3.49Å; V502-Q504 PolarHBondContact O-N 3.37Å; Q504-Q506 PolarHBondContact O-N 2.82Å
505L74.1Confident68.4Low11 Ų1172.5 Ų72.56%0.05839%0.386CS..BIsolated β-bridgetrans-76.589.1175.4-69.9164.9000108.5P141 I503 E507 L508P141-L505 HydrophobicContact CB-CD2 4.19Å; P141-L505 WeakPolarHBondContact O-CD2 3.39Å; I503-L505 HydrophobicContact CD1-CD1 4.45Å; I503-L505 HydrophobicContact CD1-CD2 3.75Å; I503-L505 HydrophobicContact CD1-CG 3.92Å; I503-L505 HydrophobicContact CG1-CD2 4.35Å; I503-L505 HydrophobicContact CG1-CG 4.14Å; I503-L505 HydrophobicContact CG2-CG 4.49Å; L505-E507 PolarHBondContact O-N 3.47Å; L505-L508 HydrophobicContact CB-CB 4.2Å; L505-L508 HydrophobicContact CB-CD1 4.12Å; L505-L508 HydrophobicContact CD1-CD1 4.03Å; L505-L508 HydrophobicContact CD2-CD1 4.18Å; L505-L508 HydrophobicContact CG-CD1 4.34Å; L505-L508 PolarHBondContact O-N 3.37Å
506Q58.4Low65.4Low68 Ų6876 Ų7632%0.31841%0.405SS..THydrogen-bonded Turntrans-57.2-13.8-163.3-157.7166.7500115.9K146 Q504K146-Q506 HydrophobicContact CB-CB 4.01Å; K146-Q506 HydrophobicContact CB-CG 4.04Å; K146-Q506 HydrophobicContact CD-CG 4.19Å; K146-Q506 VanDerWaalsContact CG-CD 3.41Å; K146-Q506 HydrophobicContact CG-CG 4.29Å; K146-Q506 VanDerWaalsContact CG-OE1 3.23Å; Q504-Q506 PolarHBondContact O-N 2.82Å
507E49.9Very low62.5Low127 Ų12778 Ų7859%0.59342%0.416SS*.THydrogen-bonded Turntrans-132.1-17-171.9-71.7162.2-171.900113.3R149 L505R149-E507 IonicContact CZ-OE2 2.8Å; R149-E507 VanDerWaalsContact NH1-CD 3.32Å; R149-E507 IonicContact NH1-OE1 3.94Å; R149-E507 PolarHBondContact NH1-OE1 3.35Å; R149-E507 IonicContact NH1-OE2 3.55Å; R149-E507 PolarHBondContact NH1-OE2 3.1Å; L505-E507 PolarHBondContact O-N 3.47Å
508L52Low59.6Low22 Ų2279.1 Ų79.112%0.11543%0.425CS..THydrogen-bonded Turntrans-78.2-25.3-178.7-86.1158.6000113.1K33 T34 F36 L505K33-L508 HydrophobicContact CB-CD2 3.91Å; T34-L508 HydrophobicContact CG2-CD1 3.69Å; T34-L508 HydrophobicContact CG2-CD2 3.48Å; T34-L508 VanDerWaalsContact CG2-CD2 3.48Å; T34-L508 HydrophobicContact CG2-CG 4.2Å; F36-L508 HydrophobicContact CE1-CD1 4.43Å; F36-L508 HydrophobicContact CE1-CD2 4.13Å; F36-L508 HydrophobicContact CZ-CD1 4.04Å; L505-L508 HydrophobicContact CB-CB 4.2Å; L505-L508 HydrophobicContact CB-CD1 4.12Å; L505-L508 HydrophobicContact CD1-CD1 4.03Å; L505-L508 HydrophobicContact CD2-CD1 4.18Å; L505-L508 HydrophobicContact CG-CD1 4.34Å; L505-L508 PolarHBondContact O-N 3.37Å
509M50.1Low56.8Low113 Ų11383.7 Ų83.756%0.55744%0.444SS*.THydrogen-bonded Turntrans-98.2-26.7-174.5-66.3-176.566.700113.8D511 C512M509-D511 PolarHBondContact O-N 3.18Å; M509-C512 VanDerWaalsContact O-CB 3.27Å; M509-C512 WeakPolarHBondContact O-CB 3.48Å; M509-C512 PolarHBondContact O-N 2.99Å
510D48.4Very low54.2Low112 Ų11283.4 Ų83.460%0.59944%0.44SS*.Hα-helixtrans-66.7-22.6-178.4-71.6-10.2000112.1C512 S513D510-C512 VanDerWaalsContact C-N 3.32Å; D510-C512 PolarHBondContact O-N 3.22Å; D510-S513 PolarHBondContact O-OG 3.33Å; D510-S513 VanDerWaalsContact O-OG 3.07Å
511D41.5Very low51.4Low91 Ų9184.9 Ų84.949%0.48746%0.455SS..Hα-helixtrans-80.2-0.1170.5-98.6-8000114.6K33 M509 V515K33-D511 PolarHBondContact NZ-O 3.38Å; K33-D511 VanDerWaalsContact NZ-O 3.07Å; M509-D511 PolarHBondContact O-N 3.18Å; D511-V515 WeakPolarHBondContact O-CG2 3.4Å
512C37.3Very low48.7Very low78 Ų7884.8 Ų84.853%0.52746%0.459SS..Hα-helixtrans-85.4-28.5173.4-128.40000111.5M509 D510 L516M509-C512 VanDerWaalsContact O-CB 3.27Å; M509-C512 WeakPolarHBondContact O-CB 3.48Å; M509-C512 PolarHBondContact O-N 2.99Å; D510-C512 VanDerWaalsContact C-N 3.32Å; D510-C512 PolarHBondContact O-N 3.22Å; C512-L516 WeakPolarHBondContact O-CD1 3.37Å
513S37.2Very low46.4Very low72 Ų7283.7 Ų83.750%0.50346%0.455SS..Hα-helixtrans-80.1-41.8175.217.50000112.7D510 E517D510-S513 PolarHBondContact O-OG 3.33Å; D510-S513 VanDerWaalsContact O-OG 3.07Å; S513-E517 PolarHBondContact O-N 3.34Å
514A34.1Very low44Very low40 Ų4088 Ų8833%0.33148%0.482SS..Hα-helixtrans-74.7-30.7-175.900000114N518A514-N518 WeakPolarHBondContact O-CB 3.28Å; A514-N518 PolarHBondContact O-N 2.86Å; A514-N518 PolarHBondContact O-ND2 2.93Å
515V35.9Very low41.7Very low65 Ų6587.5 Ų87.539%0.39449%0.49SS..Hα-helixtrans-73.7-34179.2176.50000111.5D511 E519D511-V515 WeakPolarHBondContact O-CG2 3.4Å; V515-E519 PolarHBondContact O-N 3.09Å; V515-E519 VanDerWaalsContact O-N 3.16Å
516L34.9Very low40Very low111 Ų11194.3 Ų94.358%0.58153%0.526SS*.Hα-helixtrans-75.8-25176-74.1168.2000113.4C512C512-L516 WeakPolarHBondContact O-CD1 3.37Å
517E33.7Very low39.2Very low144 Ų144100 Ų10067%0.67355%0.55SS*.Hα-helixtrans-80.2-35172.4-75-175.6166.100112.3S513 K520 S521S513-E517 PolarHBondContact O-N 3.34Å; E517-K520 PolarHBondContact O-N 2.84Å; E517-S521 PolarHBondContact O-N 3.34Å; E517-S521 VanDerWaalsContact O-N 3.08Å; E517-S521 PolarHBondContact O-OG 2.85Å
518N35.4Very low38.6Very low109 Ų109105.9 Ų105.958%0.58358%0.577SS**Hα-helixtrans-73.4-29.3177.2-81.4-25.2000114A514 S521 A522A514-N518 WeakPolarHBondContact O-CB 3.28Å; A514-N518 PolarHBondContact O-N 2.86Å; A514-N518 PolarHBondContact O-ND2 2.93Å; N518-S521 WeakPolarHBondContact CA-OG 3.32Å; N518-S521 PolarHBondContact O-OG 3.43Å; N518-S521 VanDerWaalsContact O-OG 3.07Å; N518-A522 VanDerWaalsContact O-CB 3.31Å; N518-A522 WeakPolarHBondContact O-CB 3.32Å; N518-A522 PolarHBondContact O-N 3.1Å; N518-A522 VanDerWaalsContact O-N 3.08Å
519E35.5Very low37.9Very low128 Ų128110.1 Ų110.160%0.59860%0.6SS**Hα-helixtrans-75.1-26.4173.2-74.3-176.7166.800112.8V515 S523V515-E519 PolarHBondContact O-N 3.09Å; V515-E519 VanDerWaalsContact O-N 3.16Å; E519-S523 WeakPolarHBondContact O-CB 3.42Å; E519-S523 PolarHBondContact O-N 3.01Å; E519-S523 PolarHBondContact O-OG 3Å
520K36.2Very low37.3Very low156 Ų156109.9 Ų109.968%0.67860%0.603SS**Hα-helixtrans-77.5-33.3172.3-80.1-177.4178.41780112.8E517 S523 V524E517-K520 PolarHBondContact O-N 2.84Å; K520-S523 PolarHBondContact O-OG 3.22Å; K520-V524 WeakPolarHBondContact O-CG2 3.35Å
521S37Very low36.7Very low67 Ų67109.8 Ų109.847%0.46960%0.603SS.*Hα-helixtrans-75.8-35.9176.262.60000112.2E517 N518 S525E517-S521 PolarHBondContact O-N 3.34Å; E517-S521 VanDerWaalsContact O-N 3.08Å; E517-S521 PolarHBondContact O-OG 2.85Å; N518-S521 WeakPolarHBondContact CA-OG 3.32Å; N518-S521 PolarHBondContact O-OG 3.43Å; N518-S521 VanDerWaalsContact O-OG 3.07Å; S521-S525 PolarHBondContact O-N 3.04Å
522A34.9Very low36.4Very low52 Ų52110.9 Ų110.943%0.4361%0.61SS.*Hα-helixtrans-69.7-32.3176.300000113.7N518N518-A522 VanDerWaalsContact O-CB 3.31Å; N518-A522 WeakPolarHBondContact O-CB 3.32Å; N518-A522 PolarHBondContact O-N 3.1Å; N518-A522 VanDerWaalsContact O-N 3.08Å
523S33.6Very low36.3Very low73 Ų73113 Ų11351%0.5162%0.615SS.*Hα-helixtrans-81-18.117950.30000114.3E519 K520E519-S523 WeakPolarHBondContact O-CB 3.42Å; E519-S523 PolarHBondContact O-N 3.01Å; E519-S523 PolarHBondContact O-OG 3Å; K520-S523 PolarHBondContact O-OG 3.22Å
524V38.6Very low36.3Very low102 Ų102115.7 Ų115.762%0.61862%0.622SS**Hα-helixtrans-85.9-28.8172.1176.10000111.5K520 L526K520-V524 WeakPolarHBondContact O-CG2 3.35Å; V524-L526 VanDerWaalsContact C-N 3.33Å; V524-L526 PolarHBondContact O-N 2.65Å
525S37.4Very low36.4Very low97 Ų97121.1 Ų121.168%0.67864%0.643SS**THydrogen-bonded Turntrans-76.8-11.3179.1-173.60000115S521S521-S525 PolarHBondContact O-N 3.04Å
526L38.2Very low36.5Very low153 Ų153125.5 Ų125.580%0.80166%0.662SS**THydrogen-bonded Turntrans-100.39.2-179.9-81.9159.6000113.6V524V524-L526 VanDerWaalsContact C-N 3.33Å; V524-L526 PolarHBondContact O-N 2.65Å
527K42.2Very low36.6Very low189 Ų189126.7 Ų126.782%0.82267%0.669SS**  trans-12821.7179.4-81-170177-179.20114.6
528Q36.3Very low36.8Very low250 Ų250125.1 Ų125.1100%1.16867%0.669SS**  trans-123.70168.5-79.9-171.7-11.900111.6

Retrieved 528 of 528 residues in 3616.5 ms (Link to these results)

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