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DNA-directed RNA polymerases I, II, and III subunit RPABC1

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively. Pol II is the central component of the basal RNA polymerase II transcription machinery. Pols are composed of mobile elements that move relative to each other. In Pol II, RPB5 is part of the lower jaw surrounding the central large cleft and thought to grab the incoming DNA template. Seems to be the major component in this process.

AlphaFold DB , UniProt , Accession A0A077Z6B3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M59Low87.4Confident191 Ų19179.8 Ų79.894%0.94138%0.379SS*.  01330-72.1171.8-172.900106.3M6M1-M6 HydrophobicContact CB-CG 3.61Å; M1-M6 HydrophobicContact CB-SD 3.98Å; M1-M6 HydrophobicContact CG-CG 4.48Å; M1-M6 HydrophobicContact SD-CG 4.16Å
2N83.2Confident88Confident97 Ų9775.9 Ų75.952%0.51936%0.358SS..  trans-60.8144.6174.8-168.87.1000108.7D4 E5 M6N2-D4 PolarHBondContact O-N 3.3Å; N2-E5 HydrophobicContact CB-CB 4.25Å; N2-E5 HydrophobicContact CB-CG 3.9Å; N2-E5 PolarHBondContact N-OE2 3.21Å; N2-E5 WeakPolarHBondContact O-CB 3.25Å; N2-E5 PolarHBondContact O-N 3.39Å; N2-M6 PolarHBondContact O-N 2.94Å
3E87.3Confident88.6Confident159 Ų15974.4 Ų74.474%0.74335%0.346SS*.Hα-helixtrans-56.3-39.6179.8-70.3-177.9170.700110.8E5 M6 E7E3-E5 PolarHBondContact O-N 3.02Å; E3-M6 HydrophobicContact CG-CE 4.46Å; E3-M6 PolarHBondContact O-N 3.37Å; E3-E7 WeakPolarHBondContact O-CB 3.12Å; E3-E7 PolarHBondContact O-N 3.35Å
4D88.9Confident89.1Confident26 Ų2669.1 Ų69.114%0.13932%0.322CS..Hα-helixtrans-59.9-43.6174.4-77.3-30.1000112.9N2 M6 E7 T8 S50N2-D4 PolarHBondContact O-N 3.3Å; D4-M6 VanDerWaalsContact C-N 3.34Å; D4-M6 PolarHBondContact O-N 3.12Å; D4-E7 PolarHBondContact O-N 3.3Å; D4-T8 WeakPolarHBondContact O-CB 3.28Å; D4-T8 PolarHBondContact O-N 3.37Å; D4-T8 PolarHBondContact O-OG1 2.66Å; D4-S50 VanDerWaalsContact CG-OG 3.24Å; D4-S50 WeakPolarHBondContact OD1-CB 3.34Å; D4-S50 PolarHBondContact OD1-N 2.8Å; D4-S50 PolarHBondContact OD1-OG 3.17Å; D4-S50 VanDerWaalsContact OD1-OG 3.05Å; D4-S50 PolarHBondContact OD2-OG 3.43Å
5E89.9Confident89.6Confident98 Ų9865.7 Ų65.746%0.45831%0.305SS..Hα-helixtrans-63.2-41.4179.4-73.9172.416000112.1N2 E3 F9N2-E5 HydrophobicContact CB-CB 4.25Å; N2-E5 HydrophobicContact CB-CG 3.9Å; N2-E5 PolarHBondContact N-OE2 3.21Å; N2-E5 WeakPolarHBondContact O-CB 3.25Å; N2-E5 PolarHBondContact O-N 3.39Å; E3-E5 PolarHBondContact O-N 3.02Å; E5-F9 WeakPolarHBondContact O-CB 3.49Å; E5-F9 PolarHBondContact O-N 2.93Å
6M90.6Very high89.9Confident94 Ų9464.1 Ų64.146%0.46330%0.296SS..Hα-helixtrans-67.2-41.4178.8-66.6-172.5-66.200111.1M1 N2 E3 D4 F9 R10M1-M6 HydrophobicContact CB-CG 3.61Å; M1-M6 HydrophobicContact CB-SD 3.98Å; M1-M6 HydrophobicContact CG-CG 4.48Å; M1-M6 HydrophobicContact SD-CG 4.16Å; N2-M6 PolarHBondContact O-N 2.94Å; E3-M6 HydrophobicContact CG-CE 4.46Å; E3-M6 PolarHBondContact O-N 3.37Å; D4-M6 VanDerWaalsContact C-N 3.34Å; D4-M6 PolarHBondContact O-N 3.12Å; M6-F9 PolarHBondContact O-N 3.49Å; M6-R10 WeakPolarHBondContact O-CB 3.35Å; M6-R10 PolarHBondContact O-N 3.28Å
7E90.4Very high90.3Very high48 Ų4860.4 Ų60.422%0.22428%0.28CS..Hα-helixtrans-70.2-42179.6-175.968.9175.800111.7E3 D4 F9 R10 L11 P49 R56E3-E7 WeakPolarHBondContact O-CB 3.12Å; E3-E7 PolarHBondContact O-N 3.35Å; D4-E7 PolarHBondContact O-N 3.3Å; E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 2.98Å; E7-R10 WeakPolarHBondContact O-CB 3.43Å; E7-R10 PolarHBondContact O-N 3.46Å; E7-R10 WeakPolarHBondContact OE2-CD 3.39Å; E7-L11 HydrophobicContact CG-CD1 4.27Å; E7-L11 WeakPolarHBondContact O-CG 3.44Å; E7-L11 PolarHBondContact O-N 2.93Å; E7-P49 HydrophobicContact CB-CB 4.19Å; E7-P49 HydrophobicContact CB-CG 3.94Å; E7-P49 HydrophobicContact CG-CB 3.72Å; E7-P49 HydrophobicContact CG-CG 3.88Å; E7-R56 IonicContact OE1-CZ 3.5Å; E7-R56 IonicContact OE1-NH1 3.41Å; E7-R56 PolarHBondContact OE1-NH1 2.97Å; E7-R56 IonicContact OE1-NH2 2.81Å; E7-R56 PolarHBondContact OE1-NH2 3Å
8T92Very high90.7Very high0 Ų057.1 Ų57.10%026%0.264CS..Hα-helixtrans-59-43.9172.3-60.70000111.2D4 L11 W12 L38 F41 K42 P49D4-T8 WeakPolarHBondContact O-CB 3.28Å; D4-T8 PolarHBondContact O-N 3.37Å; D4-T8 PolarHBondContact O-OG1 2.66Å; T8-L11 PolarHBondContact O-N 3.27Å; T8-W12 WeakPolarHBondContact O-CB 3.49Å; T8-W12 PolarHBondContact O-N 3.29Å; T8-L38 HydrophobicContact CG2-CD1 4.37Å; T8-F41 HydrophobicContact CG2-CD1 4.06Å; T8-F41 HydrophobicContact CG2-CE1 3.95Å; T8-K42 HydrophobicContact CG2-CD 4.48Å; T8-K42 HydrophobicContact CG2-CG 3.73Å; T8-P49 WeakPolarHBondContact OG1-CD 3.37Å; T8-P49 VanDerWaalsContact OG1-CG 3.25Å; T8-P49 WeakPolarHBondContact OG1-CG 3.36Å
9F93.3Very high91Very high92 Ų9254.2 Ų54.240%0.40425%0.251SS..Hα-helixtrans-61.8-43.7176.6178.6-95.1000111.9E5 M6 E7 W12 R13 L38 M137E5-F9 WeakPolarHBondContact O-CB 3.49Å; E5-F9 PolarHBondContact O-N 2.93Å; M6-F9 PolarHBondContact O-N 3.49Å; E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 2.98Å; F9-W12 AromaticContact CD2-CE3 3.92Å; F9-W12 HydrophobicContact CD2-CE3 3.92Å; F9-W12 HydrophobicContact CD2-CZ3 4.05Å; F9-W12 AromaticContact CE2-CE3 3.88Å; F9-W12 HydrophobicContact CE2-CE3 3.88Å; F9-W12 AromaticContact CE2-CZ3 3.55Å; F9-W12 HydrophobicContact CE2-CZ3 3.55Å; F9-W12 HydrophobicContact CZ-CZ3 4.19Å; F9-W12 PolarHBondContact O-N 2.97Å; F9-R13 WeakPolarHBondContact O-CB 3.4Å; F9-R13 PolarHBondContact O-N 3.29Å; F9-L38 HydrophobicContact CD2-CD1 4.44Å; F9-L38 HydrophobicContact CD2-CD2 4Å; F9-M137 HydrophobicContact CE1-CE 4.49Å
10R93.1Very high91.2Very high73 Ų7353 Ų5328%0.27525%0.246SC..Hα-helixtrans-58.9-51176.5-176.9-167.2164.9132.1-7.7111M6 E7 W12 R13 V14 E133 M137M6-R10 WeakPolarHBondContact O-CB 3.35Å; M6-R10 PolarHBondContact O-N 3.28Å; E7-R10 WeakPolarHBondContact O-CB 3.43Å; E7-R10 PolarHBondContact O-N 3.46Å; E7-R10 WeakPolarHBondContact OE2-CD 3.39Å; R10-W12 PolarHBondContact O-N 3.33Å; R10-R13 PolarHBondContact O-N 3.32Å; R10-V14 WeakPolarHBondContact O-CG2 3.5Å; R10-V14 PolarHBondContact O-N 3.08Å; R10-E133 IonicContact CZ-OE2 3.98Å; R10-E133 VanDerWaalsContact CZ-OE2 3.3Å; R10-E133 IonicContact NE-OE2 2.87Å; R10-E133 PolarHBondContact NE-OE2 2.97Å; R10-E133 IonicContact NH2-OE2 3.83Å; R10-E133 PolarHBondContact NH2-OE2 3.44Å; R10-M137 HydrophobicContact CB-CE 4.33Å; R10-M137 HydrophobicContact CB-SD 4.01Å; R10-M137 HydrophobicContact CG-CE 4.16Å; R10-M137 HydrophobicContact CG-CG 4.32Å; R10-M137 HydrophobicContact CG-SD 3.39Å; R10-M137 WeakPolarHBondContact CG-SD 3.38Å
11L94.1Very high91.5Very high0 Ų050.5 Ų50.50%023%0.234CC..Hα-helixtrans-62.7-42.7-179.7-69174.2000112.3E7 T8 R15 F41 P54 R56 L59E7-L11 HydrophobicContact CG-CD1 4.27Å; E7-L11 WeakPolarHBondContact O-CG 3.44Å; E7-L11 PolarHBondContact O-N 2.93Å; T8-L11 PolarHBondContact O-N 3.27Å; L11-R15 VanDerWaalsContact O-CB 3.31Å; L11-R15 WeakPolarHBondContact O-CB 3.11Å; L11-R15 PolarHBondContact O-N 3.1Å; L11-F41 HydrophobicContact CB-CZ 4.2Å; L11-P54 HydrophobicContact CD1-CG 3.75Å; L11-R56 HydrophobicContact CD2-CG 4.23Å; L11-L59 HydrophobicContact CB-CD1 3.88Å; L11-L59 HydrophobicContact CD1-CD1 4.2Å; L11-L59 HydrophobicContact CD2-CD1 3.88Å; L11-L59 HydrophobicContact CG-CD1 4.2Å
12W94.9Very high93.3Very high33 Ų3341.4 Ų41.413%0.12519%0.189CC..Hα-helixtrans-58.2-48.317316967.9000111.7T8 F9 R10 R15 K16 Q36 L38 F41T8-W12 WeakPolarHBondContact O-CB 3.49Å; T8-W12 PolarHBondContact O-N 3.29Å; F9-W12 AromaticContact CD2-CE3 3.92Å; F9-W12 HydrophobicContact CD2-CE3 3.92Å; F9-W12 HydrophobicContact CD2-CZ3 4.05Å; F9-W12 AromaticContact CE2-CE3 3.88Å; F9-W12 HydrophobicContact CE2-CE3 3.88Å; F9-W12 AromaticContact CE2-CZ3 3.55Å; F9-W12 HydrophobicContact CE2-CZ3 3.55Å; F9-W12 HydrophobicContact CZ-CZ3 4.19Å; F9-W12 PolarHBondContact O-N 2.97Å; R10-W12 PolarHBondContact O-N 3.33Å; W12-R15 PolarHBondContact O-N 3.41Å; W12-K16 HydrophobicContact CZ2-CD 4.06Å; W12-K16 WeakPolarHBondContact O-CB 3.41Å; W12-K16 PolarHBondContact O-N 2.98Å; W12-Q36 PolarHBondContact NE1-O 3.01Å; W12-L38 HydrophobicContact CB-CD1 3.71Å; W12-L38 HydrophobicContact CD2-CB 4.14Å; W12-L38 HydrophobicContact CD2-CD1 3.89Å; W12-L38 HydrophobicContact CE3-CB 4.36Å; W12-L38 HydrophobicContact CE3-CD1 4.04Å; W12-L38 HydrophobicContact CG-CD1 3.76Å; W12-L38 HydrophobicContact CZ2-CB 4.47Å; W12-F41 HydrophobicContact CB-CB 4.46Å; W12-F41 HydrophobicContact CB-CD1 3.69Å; W12-F41 HydrophobicContact CB-CD2 4.21Å; W12-F41 HydrophobicContact CB-CE1 3.88Å; W12-F41 HydrophobicContact CB-CE2 4.39Å; W12-F41 HydrophobicContact CB-CG 3.86Å; W12-F41 HydrophobicContact CB-CZ 4.22Å; W12-F41 VanDerWaalsContact CD1-CB 3.48Å; W12-F41 AromaticContact CD1-CD2 3.89Å; W12-F41 AromaticContact CD1-CG 3.63Å; W12-F41 HydrophobicContact CG-CB 4.21Å; W12-F41 HydrophobicContact CG-CD1 4.33Å; W12-F41 HydrophobicContact CG-CD2 4.47Å; W12-F41 HydrophobicContact CG-CG 4.09Å
13R95.2Very high93.8Very high56 Ų5641 Ų4121%0.21118%0.184CC..Hα-helixtrans-64.4-45.9-178-172.362.4175.9165.24.5111.8F9 R10 R15 K16 T17 M137 E142F9-R13 WeakPolarHBondContact O-CB 3.4Å; F9-R13 PolarHBondContact O-N 3.29Å; R10-R13 PolarHBondContact O-N 3.32Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 2.93Å; R13-K16 PolarHBondContact O-N 3.37Å; R13-T17 PolarHBondContact O-N 3.27Å; R13-T17 PolarHBondContact O-OG1 3.26Å; R13-M137 HydrophobicContact CB-CE 4.25Å; R13-M137 HydrophobicContact CB-SD 4.12Å; R13-M137 HydrophobicContact CG-CE 4.32Å; R13-M137 WeakPolarHBondContact CG-O 3.38Å; R13-M137 HydrophobicContact CG-SD 4.36Å; R13-M137 PolarHBondContact NE-O 3.45Å; R13-E142 IonicContact NH2-OE2 3.6Å
14V96.1Very high94.2Very high0 Ų036.3 Ų36.30%016%0.164CC..Hα-helixtrans-59.3-45.4175.8171.20000111R10 T17 A18 F77 I106 E133 L136 M137R10-V14 WeakPolarHBondContact O-CG2 3.5Å; R10-V14 PolarHBondContact O-N 3.08Å; V14-T17 PolarHBondContact O-N 3.05Å; V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.14Å; V14-F77 HydrophobicContact CG1-CE1 3.71Å; V14-F77 HydrophobicContact CG1-CZ 4.22Å; V14-I106 HydrophobicContact CG1-CG2 3.91Å; V14-E133 HydrophobicContact CG1-CG 4.45Å; V14-E133 HydrophobicContact CG2-CB 4.14Å; V14-E133 WeakPolarHBondContact CG2-O 3.34Å; V14-L136 HydrophobicContact CB-CB 4.4Å; V14-L136 HydrophobicContact CG1-CB 3.88Å; V14-L136 HydrophobicContact CG1-CD1 4.05Å; V14-L136 HydrophobicContact CG2-CB 4.3Å; V14-M137 HydrophobicContact CG2-CG 4.14Å; V14-M137 HydrophobicContact CG2-SD 3.74Å
15R95.5Very high94.5Very high19 Ų1936.7 Ų36.77%0.07216%0.163CC..Hα-helixtrans-61.5-44.8176.9-178.6176.2175.466.61.7111.7L11 W12 R13 T17 A18 M19 L59 F77L11-R15 VanDerWaalsContact O-CB 3.31Å; L11-R15 WeakPolarHBondContact O-CB 3.11Å; L11-R15 PolarHBondContact O-N 3.1Å; W12-R15 PolarHBondContact O-N 3.41Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 2.93Å; R15-T17 PolarHBondContact O-N 3.18Å; R15-A18 PolarHBondContact O-N 2.96Å; R15-M19 VanDerWaalsContact CZ-CE 3.5Å; R15-M19 WeakPolarHBondContact O-CG 3.1Å; R15-M19 PolarHBondContact O-N 3.43Å; R15-L59 PolarHBondContact NH1-O 3.15Å; R15-F77 HydrophobicContact CB-CZ 4.17Å
16K95.5Very high94.6Very high39 Ų3932.9 Ų32.917%0.1715%0.151CC..Hα-helixtrans-59.5-47.2177.4-173.9167.6-178.4145.10111.5W12 R13 A18 M19 Q20 L34W12-K16 HydrophobicContact CZ2-CD 4.06Å; W12-K16 WeakPolarHBondContact O-CB 3.41Å; W12-K16 PolarHBondContact O-N 2.98Å; R13-K16 PolarHBondContact O-N 3.37Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 3.45Å; K16-M19 WeakPolarHBondContact O-CB 3.37Å; K16-M19 PolarHBondContact O-N 3.47Å; K16-Q20 WeakPolarHBondContact O-CG 3.18Å; K16-Q20 PolarHBondContact O-N 2.95Å; K16-L34 WeakPolarHBondContact CE-O 3.44Å; K16-L34 PolarHBondContact NZ-O 3.2Å
17T96.7Very high94.8Very high2 Ų228.8 Ų28.81%0.01213%0.13CC..Hα-helixtrans-66.4-35.4176.9-63.20000112.5R13 V14 R15 Q20 M21 L136 N139R13-T17 PolarHBondContact O-N 3.27Å; R13-T17 PolarHBondContact O-OG1 3.26Å; V14-T17 PolarHBondContact O-N 3.05Å; R15-T17 PolarHBondContact O-N 3.18Å; T17-Q20 PolarHBondContact O-N 2.9Å; T17-M21 WeakPolarHBondContact O-CB 3.22Å; T17-M21 PolarHBondContact O-N 2.87Å; T17-L136 VanDerWaalsContact CB-O 3.24Å; T17-L136 WeakPolarHBondContact CB-O 3.47Å; T17-L136 HydrophobicContact CG2-CB 4.45Å; T17-L136 HydrophobicContact CG2-CD2 4.17Å; T17-L136 PolarHBondContact OG1-O 3.4Å; T17-N139 HydrophobicContact CG2-CB 3.82Å
18A96.7Very high95Very high0 Ų031.6 Ų31.60%015%0.146CC..Hα-helixtrans-64.2-39173.300000112.4V14 R15 K16 M21 C22 F61 I106V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.14Å; R15-A18 PolarHBondContact O-N 2.96Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 3.45Å; A18-M21 PolarHBondContact O-N 3.27Å; A18-C22 PolarHBondContact O-N 3.48Å; A18-C22 PolarHBondContact O-SG 3.01Å; A18-F61 HydrophobicContact CB-CE1 4.31Å; A18-F61 HydrophobicContact CB-CZ 4.22Å; A18-I106 HydrophobicContact CB-CD1 3.86Å
19M95.9Very high95Very high3 Ų332.5 Ų32.52%0.01515%0.152CC..Hα-helixtrans-65.3-46.7174.4-73.5-65.2-173.200112R15 K16 M21 C22 H23 V29 L34 F61R15-M19 VanDerWaalsContact CZ-CE 3.5Å; R15-M19 WeakPolarHBondContact O-CG 3.1Å; R15-M19 PolarHBondContact O-N 3.43Å; K16-M19 WeakPolarHBondContact O-CB 3.37Å; K16-M19 PolarHBondContact O-N 3.47Å; M19-M21 VanDerWaalsContact C-N 3.32Å; M19-M21 PolarHBondContact O-N 3.1Å; M19-C22 PolarHBondContact O-N 2.92Å; M19-C22 VanDerWaalsContact O-N 3.16Å; M19-H23 PolarHBondContact O-N 3.32Å; M19-V29 HydrophobicContact CB-CG1 4.21Å; M19-V29 HydrophobicContact SD-CG1 3.88Å; M19-L34 HydrophobicContact CB-CD2 4.22Å; M19-F61 HydrophobicContact CE-CB 4.21Å; M19-F61 HydrophobicContact CE-CD1 3.82Å; M19-F61 HydrophobicContact CE-CD2 3.37Å; M19-F61 HydrophobicContact CE-CE1 3.87Å; M19-F61 HydrophobicContact CE-CE2 3.5Å; M19-F61 VanDerWaalsContact CE-CE2 3.5Å; M19-F61 HydrophobicContact CE-CG 3.53Å; M19-F61 HydrophobicContact CE-CZ 3.72Å; M19-F61 HydrophobicContact CG-CE2 4.44Å; M19-F61 HydrophobicContact CG-CZ 4.11Å; M19-F61 HydrophobicContact SD-CD2 3.76Å; M19-F61 HydrophobicContact SD-CE1 4.21Å; M19-F61 HydrophobicContact SD-CE2 3.27Å; M19-F61 WeakPolarHBondContact SD-CE2 3.16Å; M19-F61 HydrophobicContact SD-CG 4.44Å; M19-F61 HydrophobicContact SD-CZ 3.51Å; M19-F61 VanDerWaalsContact SD-CZ 3.51Å
20Q96.3Very high95Very high30 Ų3031.6 Ų31.614%0.1415%0.154CC..Hα-helixtrans-57.5-45174-70.1174.2-41.400111.5K16 T17 C22 H23 D24 L34 N139 E142K16-Q20 WeakPolarHBondContact O-CG 3.18Å; K16-Q20 PolarHBondContact O-N 2.95Å; T17-Q20 PolarHBondContact O-N 2.9Å; Q20-C22 VanDerWaalsContact C-N 3.33Å; Q20-C22 PolarHBondContact O-N 3.17Å; Q20-H23 WeakPolarHBondContact O-CB 3.25Å; Q20-H23 PolarHBondContact O-N 2.94Å; Q20-D24 WeakPolarHBondContact O-CB 3.24Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 3.25Å; Q20-L34 HydrophobicContact CG-CD2 4.05Å; Q20-N139 PolarHBondContact OE1-ND2 3.25Å; Q20-E142 PolarHBondContact NE2-OE1 3.21Å; Q20-E142 PolarHBondContact OE1-OE1 2.89Å
21M96.7Very high95Very high0 Ų033.7 Ų33.70%017%0.167CC..Hα-helixtrans-60.5-41176.3-178.8-177.455.800112.2T17 A18 M19 D24 R25 I104 F131 Y183T17-M21 WeakPolarHBondContact O-CB 3.22Å; T17-M21 PolarHBondContact O-N 2.87Å; A18-M21 PolarHBondContact O-N 3.27Å; M19-M21 VanDerWaalsContact C-N 3.32Å; M19-M21 PolarHBondContact O-N 3.1Å; M21-D24 PolarHBondContact O-N 3.41Å; M21-R25 WeakPolarHBondContact O-CB 3.45Å; M21-R25 VanDerWaalsContact O-CG 3.26Å; M21-R25 WeakPolarHBondContact O-CG 3.1Å; M21-R25 PolarHBondContact O-N 2.96Å; M21-R25 VanDerWaalsContact O-N 3.12Å; M21-I104 HydrophobicContact CE-CD1 3.46Å; M21-I104 VanDerWaalsContact CE-CD1 3.46Å; M21-I104 HydrophobicContact CE-CG2 4.46Å; M21-I104 HydrophobicContact SD-CD1 4.42Å; M21-F131 HydrophobicContact CE-CE2 4.33Å; M21-F131 HydrophobicContact SD-CE1 4.36Å; M21-F131 HydrophobicContact SD-CE2 4.14Å; M21-F131 HydrophobicContact SD-CZ 3.85Å; M21-Y183 WeakPolarHBondContact CA-OH 3.31Å; M21-Y183 HydrophobicContact CB-CD2 4.16Å; M21-Y183 HydrophobicContact CB-CE1 4.44Å; M21-Y183 HydrophobicContact CB-CE2 3.6Å; M21-Y183 HydrophobicContact CG-CD1 4.4Å; M21-Y183 HydrophobicContact CG-CD2 3.92Å; M21-Y183 HydrophobicContact CG-CE1 4.34Å; M21-Y183 HydrophobicContact CG-CE2 3.86Å; M21-Y183 HydrophobicContact CG-CG 4.21Å; M21-Y183 VanDerWaalsContact CG-O 3.31Å; M21-Y183 WeakPolarHBondContact CG-O 3.4Å; M21-Y183 PolarHBondContact N-OH 3.39Å; M21-Y183 HydrophobicContact SD-CD2 4.21Å
22C96Very high94.9Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-64.8-44.8175.9-68.10000111.3A18 M19 Q20 D24 R25 G26 Y27 V29 V63A18-C22 PolarHBondContact O-N 3.48Å; A18-C22 PolarHBondContact O-SG 3.01Å; M19-C22 PolarHBondContact O-N 2.92Å; M19-C22 VanDerWaalsContact O-N 3.16Å; Q20-C22 VanDerWaalsContact C-N 3.33Å; Q20-C22 PolarHBondContact O-N 3.17Å; C22-D24 PolarHBondContact O-N 3.39Å; C22-R25 PolarHBondContact O-N 3.34Å; C22-G26 PolarHBondContact O-N 3.41Å; C22-Y27 WeakPolarHBondContact O-CB 3.47Å; C22-Y27 WeakPolarHBondContact O-CD2 3.38Å; C22-Y27 PolarHBondContact O-N 3.08Å; C22-V29 HydrophobicContact CB-CG2 3.91Å; C22-V63 HydrophobicContact CB-CG1 4.41Å; C22-V63 HydrophobicContact CB-CG2 4.12Å
23H95.4Very high94.7Very high88 Ų8843.8 Ų43.841%0.40722%0.215SC..Hα-helixtrans-57.6-48.9174.9172.3-86.8000111.8M19 Q20 R25 G26 V29 L34M19-H23 PolarHBondContact O-N 3.32Å; Q20-H23 WeakPolarHBondContact O-CB 3.25Å; Q20-H23 PolarHBondContact O-N 2.94Å; H23-R25 PolarHBondContact O-N 2.9Å; H23-G26 PolarHBondContact O-N 3.34Å; H23-V29 HydrophobicContact CB-CB 4.23Å; H23-V29 HydrophobicContact CB-CG2 4.22Å; H23-L34 HydrophobicContact CB-CD1 4.39Å; H23-L34 HydrophobicContact CB-CD2 4.17Å
24D94.6Very high94.6Very high62 Ų6241.9 Ų41.933%0.33221%0.209SC..Hα-helixtrans-66.1-21.6-179-67.8-10.2000113.3Q20 M21 C22 G26 Y183 Y184Q20-D24 WeakPolarHBondContact O-CB 3.24Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 3.25Å; M21-D24 PolarHBondContact O-N 3.41Å; C22-D24 PolarHBondContact O-N 3.39Å; D24-G26 VanDerWaalsContact C-N 3.3Å; D24-Y183 HydrophobicContact CB-CE1 3.89Å; D24-Y183 WeakPolarHBondContact OD2-CE1 3.41Å; D24-Y183 PolarHBondContact OD2-OH 3.45Å; D24-Y184 HydrophobicContact CB-CE1 4.11Å
25R94.6Very high94.5Very high33 Ų3346.3 Ų46.313%0.12523%0.233CC..THydrogen-bonded Turntrans-83.90172.1-73.6177.5-176.1-148.45113.6M21 C22 H23 Y27 E129 R182 Y183M21-R25 WeakPolarHBondContact O-CB 3.45Å; M21-R25 VanDerWaalsContact O-CG 3.26Å; M21-R25 WeakPolarHBondContact O-CG 3.1Å; M21-R25 PolarHBondContact O-N 2.96Å; M21-R25 VanDerWaalsContact O-N 3.12Å; C22-R25 PolarHBondContact O-N 3.34Å; H23-R25 PolarHBondContact O-N 2.9Å; R25-Y27 HydrophobicContact CB-CD2 3.72Å; R25-Y27 HydrophobicContact CB-CE2 3.78Å; R25-E129 IonicContact CZ-OE1 3.73Å; R25-E129 IonicContact CZ-OE2 3.26Å; R25-E129 VanDerWaalsContact CZ-OE2 3.29Å; R25-E129 IonicContact NH1-OE1 3.13Å; R25-E129 PolarHBondContact NH1-OE1 3.04Å; R25-E129 IonicContact NH1-OE2 2.88Å; R25-E129 PolarHBondContact NH1-OE2 2.72Å; R25-E129 IonicContact NH2-OE2 2.72Å; R25-E129 PolarHBondContact NH2-OE2 2.76Å; R25-R182 PolarHBondContact NH2-O 2.96Å; R25-Y183 PolarHBondContact NE-O 3.08Å; R25-Y183 PolarHBondContact NH2-O 3.46Å
26G92.9Very high94.4Very high19 Ų1946.6 Ų46.620%0.19624%0.235CC..THydrogen-bonded Turntrans86.918.9179.800000114.7C22 H23 D24 N66C22-G26 PolarHBondContact O-N 3.41Å; H23-G26 PolarHBondContact O-N 3.34Å; D24-G26 VanDerWaalsContact C-N 3.3Å; G26-N66 VanDerWaalsContact O-CB 3.28Å; G26-N66 WeakPolarHBondContact O-CB 3.49Å; G26-N66 PolarHBondContact O-N 2.87Å; G26-N66 PolarHBondContact O-ND2 3.19Å
27Y94.9Very high94.4Very high7 Ų747.9 Ų47.93%0.02725%0.246CC..BIsolated β-bridgetrans-87.2148171.3-62.6-86000111.5C22 R25 V29 V63 A64 H65 E71 L73C22-Y27 WeakPolarHBondContact O-CB 3.47Å; C22-Y27 WeakPolarHBondContact O-CD2 3.38Å; C22-Y27 PolarHBondContact O-N 3.08Å; R25-Y27 HydrophobicContact CB-CD2 3.72Å; R25-Y27 HydrophobicContact CB-CE2 3.78Å; Y27-V29 PolarHBondContact O-N 3.02Å; Y27-V29 VanDerWaalsContact O-N 3.17Å; Y27-V63 HydrophobicContact CD1-CG2 3.8Å; Y27-V63 HydrophobicContact CD2-CG2 4.4Å; Y27-V63 HydrophobicContact CG-CB 4.45Å; Y27-V63 HydrophobicContact CG-CG2 3.69Å; Y27-A64 CarbonylContact C-O 3.54Å; Y27-A64 WeakPolarHBondContact CA-O 3.33Å; Y27-H65 HydrophobicContact CD1-CB 3.94Å; Y27-H65 HydrophobicContact CE1-CB 3.89Å; Y27-H65 AromaticContact CE1-CD2 3.96Å; Y27-E71 PolarHBondContact OH-OE1 3Å; Y27-L73 HydrophobicContact CD1-CB 4.06Å; Y27-L73 HydrophobicContact CD2-CD2 4.08Å; Y27-L73 HydrophobicContact CE1-CB 3.57Å; Y27-L73 HydrophobicContact CE2-CB 4.24Å; Y27-L73 HydrophobicContact CE2-CD2 3.68Å
28L93.7Very high94.3Very high107 Ų10749.8 Ų49.856%0.5626%0.256SS*.  trans-65.4109.9173.9-71.4169000109.4A64 N66L28-A64 WeakPolarHBondContact CB-O 3.32Å; L28-A64 HydrophobicContact CD1-CB 4.35Å; L28-A64 PolarHBondContact N-O 2.91Å; L28-N66 WeakPolarHBondContact CD2-OD1 3.42Å; L28-N66 WeakPolarHBondContact CG-OD1 3.37Å; L28-N66 PolarHBondContact N-OD1 3.32Å
29V93.4Very high94.1Very high19 Ų1954.5 Ų54.512%0.11528%0.281CS..  trans-131132.5169.3-175.10000106.9M19 C22 H23 Y27 E33 L34 V63M19-V29 HydrophobicContact CB-CG1 4.21Å; M19-V29 HydrophobicContact SD-CG1 3.88Å; C22-V29 HydrophobicContact CB-CG2 3.91Å; H23-V29 HydrophobicContact CB-CB 4.23Å; H23-V29 HydrophobicContact CB-CG2 4.22Å; Y27-V29 PolarHBondContact O-N 3.02Å; Y27-V29 VanDerWaalsContact O-N 3.17Å; V29-E33 HydrophobicContact CG1-CB 3.9Å; V29-L34 HydrophobicContact CG1-CD2 3.96Å; V29-L34 HydrophobicContact CG1-CG 3.9Å; V29-V63 HydrophobicContact CG2-CG1 4.09Å
30T93.3Very high94Very high73 Ų7359 Ų5945%0.44830%0.302SS..  trans-75.3153.8-178.363.30000111.3E32 E33 L34T30-E32 PolarHBondContact O-N 3Å; T30-E33 PolarHBondContact N-OE2 2.84Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 VanDerWaalsContact O-N 3.15Å; T30-E33 VanDerWaalsContact OG1-CD 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.31Å; T30-E33 PolarHBondContact OG1-N 3.41Å; T30-E33 PolarHBondContact OG1-OE2 2.97Å; T30-L34 PolarHBondContact O-N 3.35Å; T30-L34 VanDerWaalsContact O-N 3.16Å
31Q92.1Very high93.9Very high118 Ų11857.6 Ų57.655%0.55130%0.296SS*.Hα-helixtrans-61.6-34.2176.1-167.661.936.700111.6E33 L34 D35Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 3.03Å; Q31-L34 PolarHBondContact O-N 3.48Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.45Å; Q31-D35 VanDerWaalsContact NE2-CG 3.27Å; Q31-D35 PolarHBondContact NE2-OD1 3.26Å; Q31-D35 PolarHBondContact NE2-OD2 2.71Å; Q31-D35 WeakPolarHBondContact O-CB 3.5Å; Q31-D35 PolarHBondContact O-N 3.05Å
32E92Very high93.6Very high168 Ų16860.2 Ų60.279%0.78531%0.307SS*.Hα-helixtrans-60.8-40175.6-64.1-179.7-179.300112T30 Q36T30-E32 PolarHBondContact O-N 3Å; E32-Q36 PolarHBondContact O-N 3.18Å
33E91.9Very high93.4Very high76 Ų7670.5 Ų70.536%0.35535%0.346SS..Hα-helixtrans-70.1-35.3176.2-72.4165.4137.100112.6V29 T30 Q31V29-E33 HydrophobicContact CG1-CB 3.9Å; T30-E33 PolarHBondContact N-OE2 2.84Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 VanDerWaalsContact O-N 3.15Å; T30-E33 VanDerWaalsContact OG1-CD 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.31Å; T30-E33 PolarHBondContact OG1-N 3.41Å; T30-E33 PolarHBondContact OG1-OE2 2.97Å; Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 3.03Å
34L92.8Very high93.2Very high16 Ų1672 Ų728%0.08435%0.353CS..Hα-helixtrans-71.5-39177.6-68.3170.5000112K16 M19 Q20 H23 V29 T30 Q31K16-L34 WeakPolarHBondContact CE-O 3.44Å; K16-L34 PolarHBondContact NZ-O 3.2Å; M19-L34 HydrophobicContact CB-CD2 4.22Å; Q20-L34 HydrophobicContact CG-CD2 4.05Å; H23-L34 HydrophobicContact CB-CD1 4.39Å; H23-L34 HydrophobicContact CB-CD2 4.17Å; V29-L34 HydrophobicContact CG1-CD2 3.96Å; V29-L34 HydrophobicContact CG1-CG 3.9Å; T30-L34 PolarHBondContact O-N 3.35Å; T30-L34 VanDerWaalsContact O-N 3.16Å; Q31-L34 PolarHBondContact O-N 3.48Å
35D93.7Very high93Very high94 Ų9470.5 Ų70.550%0.50334%0.344SS..Hα-helixtrans-90.7-1.6-176.9-69.6-24.5000113.8Q31 T37Q31-D35 WeakPolarHBondContact CG-OD2 3.45Å; Q31-D35 VanDerWaalsContact NE2-CG 3.27Å; Q31-D35 PolarHBondContact NE2-OD1 3.26Å; Q31-D35 PolarHBondContact NE2-OD2 2.71Å; Q31-D35 WeakPolarHBondContact O-CB 3.5Å; Q31-D35 PolarHBondContact O-N 3.05Å; D35-T37 PolarHBondContact O-N 2.81Å; D35-T37 VanDerWaalsContact O-N 3.13Å
36Q93.7Very high92.7Very high25 Ų2569.5 Ų69.512%0.11734%0.344CS..  trans-45.4120.5179.8-179.7172.961.800112W12 E32 E40 F41W12-Q36 PolarHBondContact NE1-O 3.01Å; E32-Q36 PolarHBondContact O-N 3.18Å; Q36-E40 HydrophobicContact CG-CB 4.12Å; Q36-F41 HydrophobicContact CG-CB 4.31Å
37T95.6Very high92.4Very high65 Ų6572.8 Ų72.840%0.39936%0.357SS..  trans-78.7161.1177.563.80000111.3D35 D39 E40 F41D35-T37 PolarHBondContact O-N 2.81Å; D35-T37 VanDerWaalsContact O-N 3.13Å; T37-D39 PolarHBondContact O-N 2.75Å; T37-E40 PolarHBondContact N-OE2 2.97Å; T37-E40 PolarHBondContact O-N 2.64Å; T37-E40 WeakPolarHBondContact OG1-CB 3.4Å; T37-E40 VanDerWaalsContact OG1-CG 3.24Å; T37-E40 WeakPolarHBondContact OG1-CG 3.35Å; T37-E40 PolarHBondContact OG1-N 3.45Å; T37-E40 PolarHBondContact OG1-OE2 3.03Å; T37-F41 WeakPolarHBondContact O-CB 3.39Å; T37-F41 PolarHBondContact O-N 2.81Å
38L93.2Very high91.9Very high42 Ų4278.4 Ų78.422%0.2238%0.378CS..Hα-helixtrans-60.3-36.2176.2-179.365.1000112T8 F9 W12 F41 K42T8-L38 HydrophobicContact CG2-CD1 4.37Å; F9-L38 HydrophobicContact CD2-CD1 4.44Å; F9-L38 HydrophobicContact CD2-CD2 4Å; W12-L38 HydrophobicContact CB-CD1 3.71Å; W12-L38 HydrophobicContact CD2-CB 4.14Å; W12-L38 HydrophobicContact CD2-CD1 3.89Å; W12-L38 HydrophobicContact CE3-CB 4.36Å; W12-L38 HydrophobicContact CE3-CD1 4.04Å; W12-L38 HydrophobicContact CG-CD1 3.76Å; W12-L38 HydrophobicContact CZ2-CB 4.47Å; L38-F41 PolarHBondContact O-N 2.75Å; L38-K42 HydrophobicContact CG-CD 4.43Å; L38-K42 WeakPolarHBondContact O-CB 3.41Å; L38-K42 VanDerWaalsContact O-CG 3.32Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 3.41Å
39D93.5Very high91.3Very high99 Ų9974.2 Ų74.253%0.52936%0.357SS..Hα-helixtrans-70.7-38.8-179.7-68.4-27.9000111.8T37 K42 R43T37-D39 PolarHBondContact O-N 2.75Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-R43 VanDerWaalsContact O-CG 3.3Å; D39-R43 WeakPolarHBondContact O-CG 3.5Å; D39-R43 PolarHBondContact O-N 3.07Å
40E93.9Very high90.6Very high98 Ų9877.2 Ų77.246%0.45838%0.379SS..Hα-helixtrans-65.1-42172.6-73.2160.616300111.4Q36 T37 K42 R43 Q44Q36-E40 HydrophobicContact CG-CB 4.12Å; T37-E40 PolarHBondContact N-OE2 2.97Å; T37-E40 PolarHBondContact O-N 2.64Å; T37-E40 WeakPolarHBondContact OG1-CB 3.4Å; T37-E40 VanDerWaalsContact OG1-CG 3.24Å; T37-E40 WeakPolarHBondContact OG1-CG 3.35Å; T37-E40 PolarHBondContact OG1-N 3.45Å; T37-E40 PolarHBondContact OG1-OE2 3.03Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.37Å; E40-R43 PolarHBondContact O-N 2.84Å; E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.22Å
41F93.1Very high90.1Very high0 Ų078.6 Ų78.60%038%0.38CS..Hα-helixtrans-58.7-46.2174.4177.9-92.6000111.8T8 L11 W12 Q36 T37 L38 R43 Q44 F45 P54 L59T8-F41 HydrophobicContact CG2-CD1 4.06Å; T8-F41 HydrophobicContact CG2-CE1 3.95Å; L11-F41 HydrophobicContact CB-CZ 4.2Å; W12-F41 HydrophobicContact CB-CB 4.46Å; W12-F41 HydrophobicContact CB-CD1 3.69Å; W12-F41 HydrophobicContact CB-CD2 4.21Å; W12-F41 HydrophobicContact CB-CE1 3.88Å; W12-F41 HydrophobicContact CB-CE2 4.39Å; W12-F41 HydrophobicContact CB-CG 3.86Å; W12-F41 HydrophobicContact CB-CZ 4.22Å; W12-F41 VanDerWaalsContact CD1-CB 3.48Å; W12-F41 AromaticContact CD1-CD2 3.89Å; W12-F41 AromaticContact CD1-CG 3.63Å; W12-F41 HydrophobicContact CG-CB 4.21Å; W12-F41 HydrophobicContact CG-CD1 4.33Å; W12-F41 HydrophobicContact CG-CD2 4.47Å; W12-F41 HydrophobicContact CG-CG 4.09Å; Q36-F41 HydrophobicContact CG-CB 4.31Å; T37-F41 WeakPolarHBondContact O-CB 3.39Å; T37-F41 PolarHBondContact O-N 2.81Å; L38-F41 PolarHBondContact O-N 2.75Å; F41-R43 VanDerWaalsContact C-N 3.32Å; F41-R43 PolarHBondContact O-N 3.41Å; F41-Q44 PolarHBondContact O-N 2.77Å; F41-F45 AromaticContact CD2-CD2 3.54Å; F41-F45 HydrophobicContact CD2-CD2 3.54Å; F41-F45 AromaticContact CD2-CE2 3.8Å; F41-F45 HydrophobicContact CD2-CE2 3.8Å; F41-F45 AromaticContact CE2-CD2 3.53Å; F41-F45 HydrophobicContact CE2-CD2 3.53Å; F41-F45 AromaticContact CE2-CE2 3.86Å; F41-F45 HydrophobicContact CE2-CE2 3.86Å; F41-F45 HydrophobicContact CE2-CG 4.4Å; F41-F45 HydrophobicContact CG-CD2 4.2Å; F41-F45 HydrophobicContact CZ-CD2 4.19Å; F41-F45 PolarHBondContact O-N 2.99Å; F41-P54 HydrophobicContact CE1-CG 4.12Å; F41-P54 HydrophobicContact CZ-CG 4.19Å; F41-L59 HydrophobicContact CE2-CD2 3.6Å; F41-L59 HydrophobicContact CZ-CD1 4.49Å; F41-L59 HydrophobicContact CZ-CD2 3.61Å
42K92.1Very high89.5Confident55 Ų5578.3 Ų78.324%0.23938%0.382CS..Hα-helixtrans-60.6-39.3175.1-77.8176.2177.5-174.80112.7T8 L38 D39 E40 G46 D47T8-K42 HydrophobicContact CG2-CD 4.48Å; T8-K42 HydrophobicContact CG2-CG 3.73Å; L38-K42 HydrophobicContact CG-CD 4.43Å; L38-K42 WeakPolarHBondContact O-CB 3.41Å; L38-K42 VanDerWaalsContact O-CG 3.32Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 3.41Å; D39-K42 PolarHBondContact O-N 3.35Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.37Å; K42-G46 WeakPolarHBondContact CA-O 3.21Å; K42-G46 CarbonylContact O-C 3.48Å; K42-G46 WeakPolarHBondContact O-CA 3.45Å; K42-G46 PolarHBondContact O-N 2.74Å; K42-D47 HydrophobicContact CB-CB 4.24Å; K42-D47 HydrophobicContact CD-CB 4.03Å; K42-D47 HydrophobicContact CG-CB 3.89Å
43R91.7Very high89Confident217 Ų21775.3 Ų75.382%0.81937%0.368SS*.Hα-helixtrans-67.8-36.3176-71.9174.7-165.8-167.16.2112.4D39 E40 F41D39-R43 VanDerWaalsContact O-CG 3.3Å; D39-R43 WeakPolarHBondContact O-CG 3.5Å; D39-R43 PolarHBondContact O-N 3.07Å; E40-R43 PolarHBondContact O-N 2.84Å; F41-R43 VanDerWaalsContact C-N 3.32Å; F41-R43 PolarHBondContact O-N 3.41Å
44Q90.9Very high88.4Confident120 Ų12071.9 Ų71.956%0.56135%0.353SS*.Hα-helixtrans-78-43.7-176.6-174.6176.11000112.6E40 F41E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.22Å; F41-Q44 PolarHBondContact O-N 2.77Å
45F90.9Very high88.1Confident30 Ų3072.1 Ų72.113%0.13236%0.356CS..Hα-helixtrans-117.6-9.2-172.3-52.7-82.9000114.9F41 Q53 P54 D58 L59F41-F45 AromaticContact CD2-CD2 3.54Å; F41-F45 HydrophobicContact CD2-CD2 3.54Å; F41-F45 AromaticContact CD2-CE2 3.8Å; F41-F45 HydrophobicContact CD2-CE2 3.8Å; F41-F45 AromaticContact CE2-CD2 3.53Å; F41-F45 HydrophobicContact CE2-CD2 3.53Å; F41-F45 AromaticContact CE2-CE2 3.86Å; F41-F45 HydrophobicContact CE2-CE2 3.86Å; F41-F45 HydrophobicContact CE2-CG 4.4Å; F41-F45 HydrophobicContact CG-CD2 4.2Å; F41-F45 HydrophobicContact CZ-CD2 4.19Å; F41-F45 PolarHBondContact O-N 2.99Å; F45-Q53 CarbonylContact O-C 3.54Å; F45-Q53 VanDerWaalsContact O-C 3.25Å; F45-P54 HydrophobicContact CB-CB 3.69Å; F45-P54 VanDerWaalsContact O-CA 3.23Å; F45-P54 WeakPolarHBondContact O-CA 3.4Å; F45-D58 HydrophobicContact CD1-CB 4.08Å; F45-D58 HydrophobicContact CE1-CB 4.49Å; F45-D58 WeakPolarHBondContact CE1-O 3.48Å; F45-L59 HydrophobicContact CB-CD2 4.46Å; F45-L59 HydrophobicContact CD1-CD2 4.05Å; F45-L59 HydrophobicContact CD2-CD2 4.13Å; F45-L59 HydrophobicContact CE1-CD2 4.26Å; F45-L59 HydrophobicContact CE2-CD2 4.34Å; F45-L59 HydrophobicContact CG-CD2 3.98Å; F45-L59 HydrophobicContact CZ-CD2 4.41Å
46G88.3Confident87.8Confident12 Ų1269 Ų6912%0.12434%0.337CS..  trans102.5171.3-17800000114.4K42 Q53 P54K42-G46 WeakPolarHBondContact CA-O 3.21Å; K42-G46 CarbonylContact O-C 3.48Å; K42-G46 WeakPolarHBondContact O-CA 3.45Å; K42-G46 PolarHBondContact O-N 2.74Å; G46-Q53 CarbonylContact C-O 2.96Å; G46-Q53 VanDerWaalsContact C-O 3.23Å; G46-P54 WeakPolarHBondContact O-CD 3.35Å
47D86.2Confident87.5Confident87 Ų8769.4 Ų69.447%0.46535%0.349SS..SBendtrans-12510.7-177.468.8-20000114K42 Q53K42-D47 HydrophobicContact CB-CB 4.24Å; K42-D47 HydrophobicContact CD-CB 4.03Å; K42-D47 HydrophobicContact CG-CB 3.89Å; D47-Q53 PolarHBondContact N-O 2.97Å
48R85.1Confident87.2Confident126 Ų12670.9 Ų70.948%0.47535%0.354SS..BIsolated β-bridgetrans-125.779.2178.6-61.1-175.2-170-179.31.7111.8S50 E51 Q53R48-S50 PolarHBondContact O-N 3.29Å; R48-E51 HydrophobicContact CB-CB 4.14Å; R48-E51 HydrophobicContact CB-CG 4.25Å; R48-E51 VanDerWaalsContact CD-OE1 3.25Å; R48-E51 WeakPolarHBondContact CD-OE1 2.98Å; R48-E51 IonicContact CZ-OE1 3.65Å; R48-E51 IonicContact NE-OE1 3.35Å; R48-E51 IonicContact NH1-OE1 3.62Å; R48-E51 PolarHBondContact NH1-OE1 3.11Å; R48-E51 IonicContact NH1-OE2 3.47Å; R48-E51 PolarHBondContact O-N 3.22Å; R48-Q53 CarbonylContact C-O 3.58Å; R48-Q53 WeakPolarHBondContact CA-O 3.25Å; R48-Q53 PolarHBondContact N-O 2.92Å; R48-Q53 CarbonylContact O-C 3.51Å; R48-Q53 PolarHBondContact O-N 3.08Å; R48-Q53 VanDerWaalsContact O-O 3.08Å
49P80.1Confident87.1Confident19 Ų1968.9 Ų68.912%0.12334%0.343CS..G310 helixtrans-53.7-32.3172.5-25.634.4000113E7 T8 E51 N52E7-P49 HydrophobicContact CB-CB 4.19Å; E7-P49 HydrophobicContact CB-CG 3.94Å; E7-P49 HydrophobicContact CG-CB 3.72Å; E7-P49 HydrophobicContact CG-CG 3.88Å; T8-P49 WeakPolarHBondContact OG1-CD 3.37Å; T8-P49 VanDerWaalsContact OG1-CG 3.25Å; T8-P49 WeakPolarHBondContact OG1-CG 3.36Å; P49-E51 PolarHBondContact O-N 3.36Å; P49-N52 WeakPolarHBondContact O-CA 3.23Å; P49-N52 PolarHBondContact O-N 2.61Å
50S78.2Confident87.1Confident81 Ų8165.9 Ų65.957%0.56633%0.329SS*.G310 helixtrans-57.8-29.6173.560.50000114.2D4 R48D4-S50 VanDerWaalsContact CG-OG 3.24Å; D4-S50 WeakPolarHBondContact OD1-CB 3.34Å; D4-S50 PolarHBondContact OD1-N 2.8Å; D4-S50 PolarHBondContact OD1-OG 3.17Å; D4-S50 VanDerWaalsContact OD1-OG 3.05Å; D4-S50 PolarHBondContact OD2-OG 3.43Å; R48-S50 PolarHBondContact O-N 3.29Å
51E83.1Confident87.2Confident102 Ų10262.1 Ų62.148%0.47731%0.311SS..G310 helixtrans-96.713.3175.8-62.9-178.8-156.900112.3R48 P49 Q53R48-E51 HydrophobicContact CB-CB 4.14Å; R48-E51 HydrophobicContact CB-CG 4.25Å; R48-E51 VanDerWaalsContact CD-OE1 3.25Å; R48-E51 WeakPolarHBondContact CD-OE1 2.98Å; R48-E51 IonicContact CZ-OE1 3.65Å; R48-E51 IonicContact NE-OE1 3.35Å; R48-E51 IonicContact NH1-OE1 3.62Å; R48-E51 PolarHBondContact NH1-OE1 3.11Å; R48-E51 IonicContact NH1-OE2 3.47Å; R48-E51 PolarHBondContact O-N 3.22Å; P49-E51 PolarHBondContact O-N 3.36Å; E51-Q53 VanDerWaalsContact C-N 3.35Å
52N79.6Confident87.2Confident112 Ų11266.2 Ų66.260%0.59933%0.332SS*.THydrogen-bonded Turntrans59.737.3-170.9-57.9-63.6000113.8P49 P54 S55P49-N52 WeakPolarHBondContact O-CA 3.23Å; P49-N52 PolarHBondContact O-N 2.61Å; N52-P54 VanDerWaalsContact C-C 3.46Å; N52-P54 CarbonylContact O-C 3.55Å; N52-S55 PolarHBondContact O-N 2.81Å
53Q81.2Confident87.3Confident105 Ų10564 Ų6449%0.49132%0.323SS..BIsolated β-bridgetrans-133.488176-64.3-176.116.700110.1F45 G46 D47 R48 E51F45-Q53 CarbonylContact O-C 3.54Å; F45-Q53 VanDerWaalsContact O-C 3.25Å; G46-Q53 CarbonylContact C-O 2.96Å; G46-Q53 VanDerWaalsContact C-O 3.23Å; D47-Q53 PolarHBondContact N-O 2.97Å; R48-Q53 CarbonylContact C-O 3.58Å; R48-Q53 WeakPolarHBondContact CA-O 3.25Å; R48-Q53 PolarHBondContact N-O 2.92Å; R48-Q53 CarbonylContact O-C 3.51Å; R48-Q53 PolarHBondContact O-N 3.08Å; R48-Q53 VanDerWaalsContact O-O 3.08Å; E51-Q53 VanDerWaalsContact C-N 3.35Å
54P80.9Confident87.4Confident4 Ų455.2 Ų55.23%0.02630%0.298CS..THydrogen-bonded Turncis-79.314011.226.4-33.2000114.2L11 F41 F45 G46 N52 L59L11-P54 HydrophobicContact CD1-CG 3.75Å; F41-P54 HydrophobicContact CE1-CG 4.12Å; F41-P54 HydrophobicContact CZ-CG 4.19Å; F45-P54 HydrophobicContact CB-CB 3.69Å; F45-P54 VanDerWaalsContact O-CA 3.23Å; F45-P54 WeakPolarHBondContact O-CA 3.4Å; G46-P54 WeakPolarHBondContact O-CD 3.35Å; N52-P54 VanDerWaalsContact C-C 3.46Å; N52-P54 CarbonylContact O-C 3.55Å; P54-L59 HydrophobicContact CB-CD2 4.04Å; P54-L59 HydrophobicContact CB-CG 4.37Å
55S85.5Confident87.5Confident22 Ų2251 Ų5115%0.15428%0.277CS..  trans-77.6147.2158.182.60000108.8N52 G57 D58N52-S55 PolarHBondContact O-N 2.81Å; S55-G57 PolarHBondContact O-N 2.87Å; S55-D58 WeakPolarHBondContact CB-OD2 3.43Å; S55-D58 PolarHBondContact O-N 3.11Å; S55-D58 PolarHBondContact OG-N 3.15Å; S55-D58 PolarHBondContact OG-OD2 2.99Å
56R88.2Confident87.4Confident27 Ų2753.4 Ų53.410%0.10229%0.292CS..THydrogen-bonded Turntrans-68.6-28.7178.2-60.5176.7158.370.5-1.8110.5E7 L11 D58 L59 F77 T78 D79 Q108 E133E7-R56 IonicContact OE1-CZ 3.5Å; E7-R56 IonicContact OE1-NH1 3.41Å; E7-R56 PolarHBondContact OE1-NH1 2.97Å; E7-R56 IonicContact OE1-NH2 2.81Å; E7-R56 PolarHBondContact OE1-NH2 3Å; L11-R56 HydrophobicContact CD2-CG 4.23Å; R56-D58 VanDerWaalsContact C-N 3.26Å; R56-D58 PolarHBondContact O-N 3.28Å; R56-L59 WeakPolarHBondContact O-CB 3.07Å; R56-L59 PolarHBondContact O-N 2.76Å; R56-L59 VanDerWaalsContact O-N 3.11Å; R56-F77 HydrophobicContact CB-CB 4.03Å; R56-F77 WeakPolarHBondContact O-CB 3.32Å; R56-T78 WeakPolarHBondContact CD-O 3.48Å; R56-D79 WeakPolarHBondContact CA-OD1 3.13Å; R56-D79 WeakPolarHBondContact CB-OD1 3.33Å; R56-D79 PolarHBondContact N-OD1 2.93Å; R56-Q108 VanDerWaalsContact NE-NE2 3.18Å; R56-Q108 VanDerWaalsContact NH2-CD 3.26Å; R56-E133 IonicContact CZ-OE1 3.88Å; R56-E133 IonicContact NE-OE1 3.04Å; R56-E133 PolarHBondContact NE-OE1 2.96Å; R56-E133 IonicContact NH2-OE1 2.86Å; R56-E133 PolarHBondContact NH2-OE1 2.86Å; R56-E133 IonicContact NH2-OE2 2.94Å; R56-E133 PolarHBondContact NH2-OE2 3.13Å
57G87.5Confident87.3Confident35 Ų3559.3 Ų59.336%0.36132%0.321SS..G310 helixtrans-50.1-43.416900000113.7S55 L59 T60S55-G57 PolarHBondContact O-N 2.87Å; G57-L59 VanDerWaalsContact C-N 3.29Å; G57-L59 PolarHBondContact O-N 2.85Å; G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.78Å; G57-T60 PolarHBondContact O-OG1 3.37Å
58D88.2Confident87.3Confident95 Ų9558.9 Ų58.951%0.50832%0.318SS..G310 helixtrans-72.6-22.2-178.5-59.1-39.3000113.4F45 S55 R56 T60F45-D58 HydrophobicContact CD1-CB 4.08Å; F45-D58 HydrophobicContact CE1-CB 4.49Å; F45-D58 WeakPolarHBondContact CE1-O 3.48Å; S55-D58 WeakPolarHBondContact CB-OD2 3.43Å; S55-D58 PolarHBondContact O-N 3.11Å; S55-D58 PolarHBondContact OG-N 3.15Å; S55-D58 PolarHBondContact OG-OD2 2.99Å; R56-D58 VanDerWaalsContact C-N 3.26Å; R56-D58 PolarHBondContact O-N 3.28Å; D58-T60 PolarHBondContact O-N 3.16Å
59L92Very high87.3Confident0 Ų060 Ų600%034%0.338CS..G310 helixtrans-77.7-6.3177.2-55.8-178.9000112.8L11 R15 F41 F45 P54 R56 G57 F61 F77L11-L59 HydrophobicContact CB-CD1 3.88Å; L11-L59 HydrophobicContact CD1-CD1 4.2Å; L11-L59 HydrophobicContact CD2-CD1 3.88Å; L11-L59 HydrophobicContact CG-CD1 4.2Å; R15-L59 PolarHBondContact NH1-O 3.15Å; F41-L59 HydrophobicContact CE2-CD2 3.6Å; F41-L59 HydrophobicContact CZ-CD1 4.49Å; F41-L59 HydrophobicContact CZ-CD2 3.61Å; F45-L59 HydrophobicContact CB-CD2 4.46Å; F45-L59 HydrophobicContact CD1-CD2 4.05Å; F45-L59 HydrophobicContact CD2-CD2 4.13Å; F45-L59 HydrophobicContact CE1-CD2 4.26Å; F45-L59 HydrophobicContact CE2-CD2 4.34Å; F45-L59 HydrophobicContact CG-CD2 3.98Å; F45-L59 HydrophobicContact CZ-CD2 4.41Å; P54-L59 HydrophobicContact CB-CD2 4.04Å; P54-L59 HydrophobicContact CB-CG 4.37Å; R56-L59 WeakPolarHBondContact O-CB 3.07Å; R56-L59 PolarHBondContact O-N 2.76Å; R56-L59 VanDerWaalsContact O-N 3.11Å; G57-L59 VanDerWaalsContact C-N 3.29Å; G57-L59 PolarHBondContact O-N 2.85Å; L59-F61 WeakPolarHBondContact O-CD1 3.41Å; L59-F77 HydrophobicContact CB-CB 4.12Å; L59-F77 HydrophobicContact CB-CD1 3.99Å; L59-F77 HydrophobicContact CB-CD2 3.9Å; L59-F77 HydrophobicContact CB-CE1 4.35Å; L59-F77 HydrophobicContact CB-CE2 4.27Å; L59-F77 HydrophobicContact CB-CG 3.76Å; L59-F77 HydrophobicContact CB-CZ 4.49Å; L59-F77 HydrophobicContact CD1-CD1 4.17Å; L59-F77 HydrophobicContact CD1-CE1 4.42Å; L59-F77 WeakPolarHBondContact O-CD2 3.43Å; L59-F77 VanDerWaalsContact O-CE2 3.24Å; L59-F77 WeakPolarHBondContact O-CE2 3.4Å
60T93.6Very high87.5Confident37 Ų3762.5 Ų62.523%0.22737%0.367CS..  trans-71.1136.6177.9-660000110.8G57 D58 F74 V75 F76 F77G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.78Å; G57-T60 PolarHBondContact O-OG1 3.37Å; D58-T60 PolarHBondContact O-N 3.16Å; T60-F74 HydrophobicContact CG2-CD1 3.96Å; T60-F74 HydrophobicContact CG2-CE1 3.11Å; T60-F74 HydrophobicContact CG2-CZ 3.74Å; T60-V75 VanDerWaalsContact CA-O 3.28Å; T60-V75 WeakPolarHBondContact CA-O 3.39Å; T60-V75 WeakPolarHBondContact CG2-O 3.35Å; T60-F76 HydrophobicContact CG2-CD1 3.97Å; T60-F77 PolarHBondContact OG1-N 3.23Å; T60-F77 VanDerWaalsContact OG1-N 3.11Å
61F94.5Very high88Confident19 Ų1960.1 Ų60.18%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-146.1162.3-175.767-84.1000113.1A18 M19 L59 V63 V75 F77A18-F61 HydrophobicContact CB-CE1 4.31Å; A18-F61 HydrophobicContact CB-CZ 4.22Å; M19-F61 HydrophobicContact CE-CB 4.21Å; M19-F61 HydrophobicContact CE-CD1 3.82Å; M19-F61 HydrophobicContact CE-CD2 3.37Å; M19-F61 HydrophobicContact CE-CE1 3.87Å; M19-F61 HydrophobicContact CE-CE2 3.5Å; M19-F61 VanDerWaalsContact CE-CE2 3.5Å; M19-F61 HydrophobicContact CE-CG 3.53Å; M19-F61 HydrophobicContact CE-CZ 3.72Å; M19-F61 HydrophobicContact CG-CE2 4.44Å; M19-F61 HydrophobicContact CG-CZ 4.11Å; M19-F61 HydrophobicContact SD-CD2 3.76Å; M19-F61 HydrophobicContact SD-CE1 4.21Å; M19-F61 HydrophobicContact SD-CE2 3.27Å; M19-F61 WeakPolarHBondContact SD-CE2 3.16Å; M19-F61 HydrophobicContact SD-CG 4.44Å; M19-F61 HydrophobicContact SD-CZ 3.51Å; M19-F61 VanDerWaalsContact SD-CZ 3.51Å; L59-F61 WeakPolarHBondContact O-CD1 3.41Å; F61-V63 HydrophobicContact CD2-CG1 3.7Å; F61-V63 HydrophobicContact CE2-CG1 3.64Å; F61-V75 HydrophobicContact CD1-CB 3.9Å; F61-V75 HydrophobicContact CD1-CG1 4.21Å; F61-V75 HydrophobicContact CD2-CB 4.41Å; F61-V75 HydrophobicContact CD2-CG2 4.39Å; F61-V75 HydrophobicContact CE1-CB 3.65Å; F61-V75 HydrophobicContact CE1-CG1 3.62Å; F61-V75 HydrophobicContact CE1-CG2 4.13Å; F61-V75 HydrophobicContact CE2-CB 4.11Å; F61-V75 HydrophobicContact CE2-CG2 3.79Å; F61-V75 HydrophobicContact CG-CB 4.33Å; F61-V75 HydrophobicContact CZ-CB 3.75Å; F61-V75 HydrophobicContact CZ-CG1 3.92Å; F61-V75 HydrophobicContact CZ-CG2 3.68Å; F61-V75 PolarHBondContact N-O 2.91Å; F61-V75 PolarHBondContact O-N 3.42Å; F61-F77 HydrophobicContact CD1-CE2 4.17Å; F61-F77 AromaticContact CE1-CE2 3.92Å; F61-F77 HydrophobicContact CE1-CE2 3.92Å
62L93.7Very high88.4Confident85 Ų8558.4 Ų58.445%0.44534%0.339SS..EExtended strand (participates in β ladder)trans-116.1136.5179.117892.4000109Q72 F74 M100L62-Q72 HydrophobicContact CD1-CB 4.18Å; L62-F74 HydrophobicContact CB-CD2 4.26Å; L62-F74 HydrophobicContact CB-CE2 4.43Å; L62-F74 HydrophobicContact CD1-CD2 3.61Å; L62-F74 HydrophobicContact CD1-CE2 4.27Å; L62-M100 HydrophobicContact CD1-CE 3.99Å; L62-M100 HydrophobicContact CD1-SD 3.26Å; L62-M100 WeakPolarHBondContact CD1-SD 3.43Å
63V94.4Very high89.1Confident8 Ų853.1 Ų53.15%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-127.6145.8170.8-61.80000110.8C22 Y27 V29 F61 Q72 L73C22-V63 HydrophobicContact CB-CG1 4.41Å; C22-V63 HydrophobicContact CB-CG2 4.12Å; Y27-V63 HydrophobicContact CD1-CG2 3.8Å; Y27-V63 HydrophobicContact CD2-CG2 4.4Å; Y27-V63 HydrophobicContact CG-CB 4.45Å; Y27-V63 HydrophobicContact CG-CG2 3.69Å; V29-V63 HydrophobicContact CG2-CG1 4.09Å; F61-V63 HydrophobicContact CD2-CG1 3.7Å; F61-V63 HydrophobicContact CE2-CG1 3.64Å; V63-Q72 WeakPolarHBondContact O-CA 3.34Å; V63-L73 HydrophobicContact CG2-CB 3.8Å; V63-L73 HydrophobicContact CG2-CD2 4.25Å; V63-L73 HydrophobicContact CG2-CG 4.43Å; V63-L73 PolarHBondContact N-O 3.16Å; V63-L73 PolarHBondContact O-N 3.31Å
64A93.6Very high89.8Confident34 Ų3450 Ų5028%0.28130%0.296SS..EExtended strand (participates in β ladder)trans-104.8146.2177.500000110.6Y27 L28 Q72Y27-A64 CarbonylContact C-O 3.54Å; Y27-A64 WeakPolarHBondContact CA-O 3.33Å; L28-A64 WeakPolarHBondContact CB-O 3.32Å; L28-A64 HydrophobicContact CD1-CB 4.35Å; L28-A64 PolarHBondContact N-O 2.91Å; A64-Q72 HydrophobicContact CB-CG 4.29Å
65H92.9Very high90.5Very high30 Ų3049.8 Ų49.814%0.13929%0.294CS..BIsolated β-bridgetrans-75.5142-178.7-165-64000111.4Y27 D67 I68 E71Y27-H65 HydrophobicContact CD1-CB 3.94Å; Y27-H65 HydrophobicContact CE1-CB 3.89Å; Y27-H65 AromaticContact CE1-CD2 3.96Å; H65-D67 IonicContact CE1-OD2 3.77Å; H65-D67 PolarHBondContact ND1-N 3.08Å; H65-I68 HydrophobicContact CB-CB 4.25Å; H65-I68 PolarHBondContact ND1-N 3.45Å; H65-E71 HydrophobicContact CB-CB 3.95Å; H65-E71 HydrophobicContact CB-CG 4.29Å; H65-E71 WeakPolarHBondContact CB-O 3.38Å; H65-E71 PolarHBondContact N-O 3.04Å
66N89.7Confident91Very high82 Ų8248.9 Ų48.944%0.43929%0.288SS..SBendtrans-62.7-56.1178.1-72-16.8000112.1G26 L28G26-N66 VanDerWaalsContact O-CB 3.28Å; G26-N66 WeakPolarHBondContact O-CB 3.49Å; G26-N66 PolarHBondContact O-N 2.87Å; G26-N66 PolarHBondContact O-ND2 3.19Å; L28-N66 WeakPolarHBondContact CD2-OD1 3.42Å; L28-N66 WeakPolarHBondContact CG-OD1 3.37Å; L28-N66 PolarHBondContact N-OD1 3.32Å
67D86Confident91.3Very high136 Ų13647.7 Ų47.773%0.72728%0.283SS*.SBendtrans-90.5-26.6-171.5-51-54.2000114.8H65H65-D67 IonicContact CE1-OD2 3.77Å; H65-D67 PolarHBondContact ND1-N 3.08Å
68I85.7Confident91.5Very high78 Ų7846.2 Ų46.240%0.427%0.267SS..SBendtrans-104.7102.7-171.3-54.2174.5000109.7H65 G70 E71H65-I68 HydrophobicContact CB-CB 4.25Å; H65-I68 PolarHBondContact ND1-N 3.45Å; I68-G70 PolarHBondContact O-N 3.31Å; I68-E71 HydrophobicContact CB-CB 3.88Å; I68-E71 WeakPolarHBondContact CD1-OE2 3.41Å; I68-E71 HydrophobicContact CG2-CB 3.61Å; I68-E71 PolarHBondContact O-N 3.43Å; I68-E71 VanDerWaalsContact O-N 3.13Å
69V84.7Confident91.5Very high148 Ų14845.9 Ų45.990%0.89727%0.266SS*.THydrogen-bonded Turntrans-59.9125.8178.9-177.20000110.7E71V69-E71 VanDerWaalsContact C-N 3.27Å; V69-E71 PolarHBondContact O-N 2.95Å
70G83.7Confident91.3Very high72 Ų7249.9 Ų49.974%0.74228%0.284SS*.THydrogen-bonded Turntrans83-6.5178.600000114.6I68 Q72I68-G70 PolarHBondContact O-N 3.31Å; G70-Q72 PolarHBondContact O-N 2.93Å
71E89.1Confident91Very high32 Ų3254.5 Ų54.515%0.1530%0.301CS..  trans-78.3118.3169.5-174.4163.2166.500109.7Y27 H65 I68 V69 R102Y27-E71 PolarHBondContact OH-OE1 3Å; H65-E71 HydrophobicContact CB-CB 3.95Å; H65-E71 HydrophobicContact CB-CG 4.29Å; H65-E71 WeakPolarHBondContact CB-O 3.38Å; H65-E71 PolarHBondContact N-O 3.04Å; I68-E71 HydrophobicContact CB-CB 3.88Å; I68-E71 WeakPolarHBondContact CD1-OE2 3.41Å; I68-E71 HydrophobicContact CG2-CB 3.61Å; I68-E71 PolarHBondContact O-N 3.43Å; I68-E71 VanDerWaalsContact O-N 3.13Å; V69-E71 VanDerWaalsContact C-N 3.27Å; V69-E71 PolarHBondContact O-N 2.95Å; E71-R102 WeakPolarHBondContact OE1-CD 3.36Å; E71-R102 IonicContact OE1-CZ 2.64Å; E71-R102 IonicContact OE1-NE 2.75Å; E71-R102 PolarHBondContact OE1-NE 3.49Å; E71-R102 VanDerWaalsContact OE1-NE 3.1Å; E71-R102 IonicContact OE1-NH1 3.41Å; E71-R102 PolarHBondContact OE1-NH1 2.89Å; E71-R102 IonicContact OE1-NH2 3.85Å; E71-R102 PolarHBondContact OE1-NH2 3.26Å; E71-R102 VanDerWaalsContact OE1-NH2 3.13Å; E71-R102 IonicContact OE2-NH2 3.45Å
72Q92.4Very high90.9Very high65 Ų6559.2 Ų59.230%0.30432%0.322SS..EExtended strand (participates in β ladder)trans-125151.5175.8-66.6178.4-3400109.6L62 V63 A64 G70 M100L62-Q72 HydrophobicContact CD1-CB 4.18Å; V63-Q72 WeakPolarHBondContact O-CA 3.34Å; A64-Q72 HydrophobicContact CB-CG 4.29Å; G70-Q72 PolarHBondContact O-N 2.93Å; Q72-M100 HydrophobicContact CB-CG 4.11Å; Q72-M100 HydrophobicContact CB-SD 4.01Å
73L94.3Very high90.8Very high1 Ų155.1 Ų55.11%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-124.4127.6177.3-178.671.7000109Y27 V63 V75 R102 I104Y27-L73 HydrophobicContact CD1-CB 4.06Å; Y27-L73 HydrophobicContact CD2-CD2 4.08Å; Y27-L73 HydrophobicContact CE1-CB 3.57Å; Y27-L73 HydrophobicContact CE2-CB 4.24Å; Y27-L73 HydrophobicContact CE2-CD2 3.68Å; V63-L73 HydrophobicContact CG2-CB 3.8Å; V63-L73 HydrophobicContact CG2-CD2 4.25Å; V63-L73 HydrophobicContact CG2-CG 4.43Å; V63-L73 PolarHBondContact N-O 3.16Å; V63-L73 PolarHBondContact O-N 3.31Å; L73-V75 HydrophobicContact CD2-CG2 4.49Å; L73-R102 HydrophobicContact CD1-CB 3.68Å; L73-I104 HydrophobicContact CD1-CG1 4.06Å; L73-I104 HydrophobicContact CD2-CD1 3.84Å; L73-I104 HydrophobicContact CD2-CG1 4.09Å; L73-I104 HydrophobicContact CG-CG1 4.34Å
74F94.9Very high90.7Very high39 Ų3955.7 Ų55.717%0.17131%0.307CS..EExtended strand (participates in β ladder)trans-101.5128175.8-151.5-83.1000110.5T60 L62 F76 L95 M100 R102 A103 I104T60-F74 HydrophobicContact CG2-CD1 3.96Å; T60-F74 HydrophobicContact CG2-CE1 3.11Å; T60-F74 HydrophobicContact CG2-CZ 3.74Å; L62-F74 HydrophobicContact CB-CD2 4.26Å; L62-F74 HydrophobicContact CB-CE2 4.43Å; L62-F74 HydrophobicContact CD1-CD2 3.61Å; L62-F74 HydrophobicContact CD1-CE2 4.27Å; F74-F76 HydrophobicContact CB-CE2 4.01Å; F74-F76 HydrophobicContact CB-CZ 4.32Å; F74-F76 AromaticContact CD1-CD1 3.54Å; F74-F76 HydrophobicContact CD1-CD1 3.54Å; F74-F76 AromaticContact CD1-CD2 3.64Å; F74-F76 HydrophobicContact CD1-CD2 3.64Å; F74-F76 AromaticContact CD1-CE1 3.25Å; F74-F76 HydrophobicContact CD1-CE1 3.25Å; F74-F76 AromaticContact CD1-CE2 3.34Å; F74-F76 HydrophobicContact CD1-CE2 3.34Å; F74-F76 AromaticContact CD1-CG 3.74Å; F74-F76 HydrophobicContact CD1-CG 3.74Å; F74-F76 AromaticContact CD1-CZ 3.13Å; F74-F76 HydrophobicContact CD1-CZ 3.13Å; F74-F76 AromaticContact CE1-CD1 3.35Å; F74-F76 HydrophobicContact CE1-CD1 3.35Å; F74-F76 HydrophobicContact CE1-CD2 4.33Å; F74-F76 AromaticContact CE1-CE1 3Å; F74-F76 HydrophobicContact CE1-CE1 3Å; F74-F76 HydrophobicContact CE1-CE2 4.05Å; F74-F76 HydrophobicContact CE1-CG 4.02Å; F74-F76 AromaticContact CE1-CZ 3.39Å; F74-F76 HydrophobicContact CE1-CZ 3.39Å; F74-F76 HydrophobicContact CG-CE1 4.29Å; F74-F76 AromaticContact CG-CE2 3.95Å; F74-F76 HydrophobicContact CG-CE2 3.95Å; F74-F76 AromaticContact CG-CZ 3.82Å; F74-F76 HydrophobicContact CG-CZ 3.82Å; F74-F76 AromaticContact CZ-CE1 3.95Å; F74-F76 HydrophobicContact CZ-CE1 3.95Å; F74-F76 HydrophobicContact CZ-CZ 4.3Å; F74-L95 HydrophobicContact CB-CD2 3.93Å; F74-M100 HydrophobicContact CB-CE 3.95Å; F74-M100 HydrophobicContact CB-SD 4Å; F74-M100 HydrophobicContact CD2-CE 3.26Å; F74-M100 HydrophobicContact CD2-SD 3.93Å; F74-M100 HydrophobicContact CE2-CE 4.01Å; F74-M100 HydrophobicContact CG-CE 3.93Å; F74-M100 HydrophobicContact CG-SD 4.45Å; F74-R102 PolarHBondContact N-O 2.96Å; F74-A103 HydrophobicContact CB-CB 4.29Å; F74-A103 CarbonylContact O-C 3.56Å; F74-A103 WeakPolarHBondContact O-CA 3.47Å; F74-A103 VanDerWaalsContact O-CB 3.32Å; F74-A103 WeakPolarHBondContact O-CB 3.46Å; F74-I104 PolarHBondContact O-N 3.47Å
75V96.3Very high90.6Very high0 Ų057.2 Ų57.20%031%0.31CS..EExtended strand (participates in β ladder)trans-109.5102.4178.8-175.30000109.1T60 F61 L73 F77 I104 I106T60-V75 VanDerWaalsContact CA-O 3.28Å; T60-V75 WeakPolarHBondContact CA-O 3.39Å; T60-V75 WeakPolarHBondContact CG2-O 3.35Å; F61-V75 HydrophobicContact CD1-CB 3.9Å; F61-V75 HydrophobicContact CD1-CG1 4.21Å; F61-V75 HydrophobicContact CD2-CB 4.41Å; F61-V75 HydrophobicContact CD2-CG2 4.39Å; F61-V75 HydrophobicContact CE1-CB 3.65Å; F61-V75 HydrophobicContact CE1-CG1 3.62Å; F61-V75 HydrophobicContact CE1-CG2 4.13Å; F61-V75 HydrophobicContact CE2-CB 4.11Å; F61-V75 HydrophobicContact CE2-CG2 3.79Å; F61-V75 HydrophobicContact CG-CB 4.33Å; F61-V75 HydrophobicContact CZ-CB 3.75Å; F61-V75 HydrophobicContact CZ-CG1 3.92Å; F61-V75 HydrophobicContact CZ-CG2 3.68Å; F61-V75 PolarHBondContact N-O 2.91Å; F61-V75 PolarHBondContact O-N 3.42Å; L73-V75 HydrophobicContact CD2-CG2 4.49Å; V75-F77 HydrophobicContact CG1-CD2 4.41Å; V75-F77 HydrophobicContact CG1-CE2 3.98Å; V75-I104 CarbonylContact C-O 3.45Å; V75-I104 WeakPolarHBondContact CA-O 3.28Å; V75-I104 HydrophobicContact CG1-CB 4.35Å; V75-I104 HydrophobicContact CG2-CB 4.29Å; V75-I106 HydrophobicContact CG1-CD1 3.66Å; V75-I106 HydrophobicContact CG1-CG1 4.36Å
76F95.2Very high90.6Very high3 Ų364.4 Ų64.41%0.01334%0.341CS..EExtended strand (participates in β ladder)trans-87.7129.8178.6-64.7-79.5000111.4T60 F74 Y91 K94 L95 A103 I104 V105 I106T60-F76 HydrophobicContact CG2-CD1 3.97Å; F74-F76 HydrophobicContact CB-CE2 4.01Å; F74-F76 HydrophobicContact CB-CZ 4.32Å; F74-F76 AromaticContact CD1-CD1 3.54Å; F74-F76 HydrophobicContact CD1-CD1 3.54Å; F74-F76 AromaticContact CD1-CD2 3.64Å; F74-F76 HydrophobicContact CD1-CD2 3.64Å; F74-F76 AromaticContact CD1-CE1 3.25Å; F74-F76 HydrophobicContact CD1-CE1 3.25Å; F74-F76 AromaticContact CD1-CE2 3.34Å; F74-F76 HydrophobicContact CD1-CE2 3.34Å; F74-F76 AromaticContact CD1-CG 3.74Å; F74-F76 HydrophobicContact CD1-CG 3.74Å; F74-F76 AromaticContact CD1-CZ 3.13Å; F74-F76 HydrophobicContact CD1-CZ 3.13Å; F74-F76 AromaticContact CE1-CD1 3.35Å; F74-F76 HydrophobicContact CE1-CD1 3.35Å; F74-F76 HydrophobicContact CE1-CD2 4.33Å; F74-F76 AromaticContact CE1-CE1 3Å; F74-F76 HydrophobicContact CE1-CE1 3Å; F74-F76 HydrophobicContact CE1-CE2 4.05Å; F74-F76 HydrophobicContact CE1-CG 4.02Å; F74-F76 AromaticContact CE1-CZ 3.39Å; F74-F76 HydrophobicContact CE1-CZ 3.39Å; F74-F76 HydrophobicContact CG-CE1 4.29Å; F74-F76 AromaticContact CG-CE2 3.95Å; F74-F76 HydrophobicContact CG-CE2 3.95Å; F74-F76 AromaticContact CG-CZ 3.82Å; F74-F76 HydrophobicContact CG-CZ 3.82Å; F74-F76 AromaticContact CZ-CE1 3.95Å; F74-F76 HydrophobicContact CZ-CE1 3.95Å; F74-F76 HydrophobicContact CZ-CZ 4.3Å; F76-Y91 HydrophobicContact CB-CD1 4.45Å; F76-Y91 HydrophobicContact CB-CE1 4.1Å; F76-Y91 HydrophobicContact CB-CE2 4.33Å; F76-Y91 AromaticContact CD1-CD1 3.38Å; F76-Y91 HydrophobicContact CD1-CD1 3.38Å; F76-Y91 AromaticContact CD1-CE1 3.42Å; F76-Y91 HydrophobicContact CD1-CE1 3.42Å; F76-Y91 VanDerWaalsContact CD1-CE1 3.42Å; F76-Y91 HydrophobicContact CD1-CG 4.16Å; F76-Y91 HydrophobicContact CD2-CD1 4.16Å; F76-Y91 HydrophobicContact CD2-CG 4.12Å; F76-Y91 AromaticContact CE1-CD1 3.45Å; F76-Y91 HydrophobicContact CE1-CD1 3.45Å; F76-Y91 VanDerWaalsContact CE1-CD1 3.45Å; F76-Y91 AromaticContact CE1-CE1 3.94Å; F76-Y91 HydrophobicContact CE1-CE1 3.94Å; F76-Y91 HydrophobicContact CE1-CG 4.22Å; F76-Y91 HydrophobicContact CE2-CD1 4.23Å; F76-Y91 HydrophobicContact CE2-CG 4.2Å; F76-Y91 AromaticContact CG-CD1 3.75Å; F76-Y91 HydrophobicContact CG-CD1 3.75Å; F76-Y91 HydrophobicContact CG-CD2 4.47Å; F76-Y91 AromaticContact CG-CE1 3.82Å; F76-Y91 HydrophobicContact CG-CE1 3.82Å; F76-Y91 HydrophobicContact CG-CG 4.11Å; F76-Y91 AromaticContact CZ-CD1 3.9Å; F76-Y91 HydrophobicContact CZ-CD1 3.9Å; F76-Y91 HydrophobicContact CZ-CG 4.25Å; F76-K94 HydrophobicContact CE1-CD 4.05Å; F76-K94 HydrophobicContact CZ-CB 4.4Å; F76-L95 HydrophobicContact CE2-CD2 4.24Å; F76-L95 HydrophobicContact CE2-CG 4.3Å; F76-L95 HydrophobicContact CZ-CD2 4.49Å; F76-L95 HydrophobicContact CZ-CG 4.49Å; F76-A103 HydrophobicContact CD2-CB 3.94Å; F76-A103 HydrophobicContact CE2-CB 3.74Å; F76-I104 PolarHBondContact N-O 2.88Å; F76-V105 HydrophobicContact CB-CG2 4.46Å; F76-V105 HydrophobicContact CD2-CG2 4.31Å; F76-I106 PolarHBondContact O-N 3.33Å
77F94.5Very high90.7Very high3 Ų361.5 Ų61.51%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-102.6127.7165.9-79.3-105.5000108.6V14 R15 R56 L59 T60 F61 V75 I106V14-F77 HydrophobicContact CG1-CE1 3.71Å; V14-F77 HydrophobicContact CG1-CZ 4.22Å; R15-F77 HydrophobicContact CB-CZ 4.17Å; R56-F77 HydrophobicContact CB-CB 4.03Å; R56-F77 WeakPolarHBondContact O-CB 3.32Å; L59-F77 HydrophobicContact CB-CB 4.12Å; L59-F77 HydrophobicContact CB-CD1 3.99Å; L59-F77 HydrophobicContact CB-CD2 3.9Å; L59-F77 HydrophobicContact CB-CE1 4.35Å; L59-F77 HydrophobicContact CB-CE2 4.27Å; L59-F77 HydrophobicContact CB-CG 3.76Å; L59-F77 HydrophobicContact CB-CZ 4.49Å; L59-F77 HydrophobicContact CD1-CD1 4.17Å; L59-F77 HydrophobicContact CD1-CE1 4.42Å; L59-F77 WeakPolarHBondContact O-CD2 3.43Å; L59-F77 VanDerWaalsContact O-CE2 3.24Å; L59-F77 WeakPolarHBondContact O-CE2 3.4Å; T60-F77 PolarHBondContact OG1-N 3.23Å; T60-F77 VanDerWaalsContact OG1-N 3.11Å; F61-F77 HydrophobicContact CD1-CE2 4.17Å; F61-F77 AromaticContact CE1-CE2 3.92Å; F61-F77 HydrophobicContact CE1-CE2 3.92Å; V75-F77 HydrophobicContact CG1-CD2 4.41Å; V75-F77 HydrophobicContact CG1-CE2 3.98Å; F77-I106 HydrophobicContact CD1-CB 4.34Å; F77-I106 HydrophobicContact CD1-CG2 4.24Å; F77-I106 HydrophobicContact CD2-CD1 4.31Å; F77-I106 HydrophobicContact CE1-CB 4.47Å; F77-I106 HydrophobicContact CE1-CD1 3.99Å; F77-I106 HydrophobicContact CE1-CG2 4.19Å; F77-I106 HydrophobicContact CE2-CD1 3.72Å; F77-I106 HydrophobicContact CZ-CD1 3.53Å
78T92.1Very high91Very high3 Ų355 Ų552%0.01829%0.292CS..PPolyproline II helixtrans-102.9131.8-175.5-173.20000113R56 E80 I83 Y91 I106 G107R56-T78 WeakPolarHBondContact CD-O 3.48Å; T78-E80 VanDerWaalsContact C-N 3.25Å; T78-E80 PolarHBondContact O-N 3.48Å; T78-E80 PolarHBondContact OG1-N 3.22Å; T78-I83 HydrophobicContact CG2-CD1 3.56Å; T78-I83 HydrophobicContact CG2-CG1 3.77Å; T78-Y91 WeakPolarHBondContact CB-OH 3.38Å; T78-I106 VanDerWaalsContact CG2-O 3.24Å; T78-I106 WeakPolarHBondContact CG2-O 3.33Å; T78-I106 PolarHBondContact N-O 2.97Å; T78-I106 VanDerWaalsContact N-O 3.08Å; T78-G107 VanDerWaalsContact CG2-CA 3.42Å
79D88Confident91.2Very high89 Ų8956.2 Ų56.248%0.47629%0.294SS..SBendtrans-72.1-19.7171.6-62.1-58.3000112.8R56 Q108R56-D79 WeakPolarHBondContact CA-OD1 3.13Å; R56-D79 WeakPolarHBondContact CB-OD1 3.33Å; R56-D79 PolarHBondContact N-OD1 2.93Å; D79-Q108 PolarHBondContact O-NE2 2.92Å
80E88.1Confident91.5Very high84 Ų8450.7 Ų50.739%0.39327%0.267SS..  trans-75.7127.4-179.9-65.2-175.3167.200111T78 K82 G84 T87T78-E80 VanDerWaalsContact C-N 3.25Å; T78-E80 PolarHBondContact O-N 3.48Å; T78-E80 PolarHBondContact OG1-N 3.22Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.94Å; E80-G84 PolarHBondContact OE2-N 2.94Å; E80-T87 PolarHBondContact OE1-OG1 2.88Å; E80-T87 VanDerWaalsContact OE1-OG1 3.08Å; E80-T87 PolarHBondContact OE2-OG1 3.47Å
81K88.1Confident91.9Very high134 Ų13448.3 Ų48.358%0.58324%0.236SC*.SBendtrans-55.1-48.8172.4-69.7-171176.8-1730111.6E109K81-E109 HydrophobicContact CB-CG 4.28Å; K81-E109 WeakPolarHBondContact O-CA 3.31Å; K81-E109 WeakPolarHBondContact O-CB 3.1Å; K81-E109 PolarHBondContact O-N 3.41Å
82K91.3Very high92Very high117 Ų11747.1 Ų47.151%0.50923%0.231SC..SBendtrans-121.5116.7-180-167.8-179.6-168.61690110.6E80 G84 G110 T112E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.94Å; K82-G84 PolarHBondContact O-N 3.24Å; K82-G110 WeakPolarHBondContact CA-O 3.15Å; K82-G110 VanDerWaalsContact CG-O 3.28Å; K82-G110 WeakPolarHBondContact CG-O 3.43Å; K82-T112 HydrophobicContact CD-CG2 3.98Å; K82-T112 HydrophobicContact CG-CG2 4.05Å
83I92.2Very high92Very high0 Ų050.4 Ų50.40%025%0.248CC..BIsolated β-bridgetrans-73.4124.2-172.5-53.6-177.7000111.4T78 T87 I88 V105 G110 M111 T112 F130T78-I83 HydrophobicContact CG2-CD1 3.56Å; T78-I83 HydrophobicContact CG2-CG1 3.77Å; I83-T87 HydrophobicContact CG2-CG2 4.32Å; I83-I88 HydrophobicContact CG2-CD1 3.7Å; I83-I88 HydrophobicContact CG2-CG1 3.93Å; I83-V105 HydrophobicContact CD1-CG1 3.58Å; I83-G110 PolarHBondContact N-O 3.2Å; I83-M111 HydrophobicContact CB-CG 4.07Å; I83-M111 HydrophobicContact CD1-CG 4.29Å; I83-T112 PolarHBondContact O-N 2.92Å; I83-T112 PolarHBondContact O-OG1 3.07Å; I83-T112 VanDerWaalsContact O-OG1 3.12Å; I83-F130 HydrophobicContact CD1-CD2 4.04Å; I83-F130 HydrophobicContact CD1-CE2 3.54Å
84G92.1Very high91.8Very high19 Ų1956.4 Ų56.420%0.19627%0.274CS..  trans-90.6166174.300000114.2E80 K82 K86 T87 I88E80-G84 PolarHBondContact OE2-N 2.94Å; K82-G84 PolarHBondContact O-N 3.24Å; G84-K86 VanDerWaalsContact C-N 3.25Å; G84-K86 PolarHBondContact O-N 2.94Å; G84-T87 PolarHBondContact O-N 2.85Å; G84-I88 PolarHBondContact O-N 2.86Å
85I91.3Very high91.7Very high66 Ų6654.6 Ų54.634%0.33827%0.266SS..Hα-helixtrans-61.3-32.5176.3-171.6170.1000112.9T87 I88 K89 A118I85-T87 VanDerWaalsContact C-N 3.31Å; I85-T87 PolarHBondContact O-N 2.95Å; I85-I88 PolarHBondContact O-N 2.84Å; I85-K89 HydrophobicContact CG1-CD 4.34Å; I85-K89 HydrophobicContact CG1-CG 4.42Å; I85-K89 WeakPolarHBondContact O-CG 3.46Å; I85-K89 PolarHBondContact O-N 2.99Å; I85-A118 HydrophobicContact CD1-CB 3.98Å; I85-A118 HydrophobicContact CG1-CB 3.91Å
86K92.1Very high91.4Very high181 Ų18160.3 Ų60.379%0.78729%0.293SS*.Hα-helixtrans-61.3-43.3179.1-174.6-178.5176.9-173.20110.8G84 K89 G90G84-K86 VanDerWaalsContact C-N 3.25Å; G84-K86 PolarHBondContact O-N 2.94Å; K86-K89 PolarHBondContact O-N 2.83Å; K86-G90 PolarHBondContact O-N 3.41Å
87T92.4Very high91.2Very high22 Ų2263.4 Ų63.414%0.13533%0.325CS..Hα-helixtrans-66.1-47.3-179.3-43.10000110.7E80 I83 G84 I85 K89 G90 Y91E80-T87 PolarHBondContact OE1-OG1 2.88Å; E80-T87 VanDerWaalsContact OE1-OG1 3.08Å; E80-T87 PolarHBondContact OE2-OG1 3.47Å; I83-T87 HydrophobicContact CG2-CG2 4.32Å; G84-T87 PolarHBondContact O-N 2.85Å; I85-T87 VanDerWaalsContact C-N 3.31Å; I85-T87 PolarHBondContact O-N 2.95Å; T87-K89 PolarHBondContact O-N 2.75Å; T87-G90 WeakPolarHBondContact O-CA 3.08Å; T87-G90 PolarHBondContact O-N 2.86Å; T87-G90 VanDerWaalsContact O-N 3.14Å; T87-Y91 HydrophobicContact CG2-CD2 4.39Å; T87-Y91 HydrophobicContact CG2-CE2 3.65Å; T87-Y91 WeakPolarHBondContact O-CD2 3.3Å; T87-Y91 PolarHBondContact O-N 3.13Å
88I91.8Very high90.8Very high0 Ų069.7 Ų69.70%035%0.354CS..Hα-helixtrans-58.8-47174.3-62.9-53.8000111.7I83 G84 I85 G90 Y91 C92 A115 L119I83-I88 HydrophobicContact CG2-CD1 3.7Å; I83-I88 HydrophobicContact CG2-CG1 3.93Å; G84-I88 PolarHBondContact O-N 2.86Å; I85-I88 PolarHBondContact O-N 2.84Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.73Å; I88-Y91 HydrophobicContact CD1-CD2 4.37Å; I88-Y91 PolarHBondContact O-N 3.46Å; I88-Y91 VanDerWaalsContact O-N 3.17Å; I88-C92 PolarHBondContact O-N 3.04Å; I88-C92 PolarHBondContact O-SG 3.34Å; I88-C92 VanDerWaalsContact O-SG 3.32Å; I88-A115 HydrophobicContact CG1-CB 4.08Å; I88-L119 HydrophobicContact CD1-CD2 4.14Å; I88-L119 HydrophobicContact CD1-CG 4.49Å; I88-L119 HydrophobicContact CG1-CD2 4.49Å; I88-L119 HydrophobicContact CG2-CD2 3.72Å; I88-L119 HydrophobicContact CG2-CG 4.16Å
89K90.4Very high90.6Very high103 Ų10372.7 Ų72.745%0.44839%0.387SS..Hα-helixtrans-60.4-39.3176.2-74.8-178.2177.2-1760112I85 K86 T87 C92 M93I85-K89 HydrophobicContact CG1-CD 4.34Å; I85-K89 HydrophobicContact CG1-CG 4.42Å; I85-K89 WeakPolarHBondContact O-CG 3.46Å; I85-K89 PolarHBondContact O-N 2.99Å; K86-K89 PolarHBondContact O-N 2.83Å; T87-K89 PolarHBondContact O-N 2.75Å; K89-C92 PolarHBondContact O-N 2.79Å; K89-M93 WeakPolarHBondContact O-CG 3.39Å; K89-M93 PolarHBondContact O-N 3.36Å
90G92.4Very high90.7Very high31 Ų3169 Ų6932%0.3237%0.366SS..Hα-helixtrans-60.5-44174.100000112.5K86 T87 I88 M93 K94K86-G90 PolarHBondContact O-N 3.41Å; T87-G90 WeakPolarHBondContact O-CA 3.08Å; T87-G90 PolarHBondContact O-N 2.86Å; T87-G90 VanDerWaalsContact O-N 3.14Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.73Å; G90-M93 PolarHBondContact O-N 3.31Å; G90-K94 WeakPolarHBondContact O-CG 3.49Å; G90-K94 PolarHBondContact O-N 3.46Å
91Y92Very high90.8Very high23 Ų2368.5 Ų68.59%0.0937%0.369CS..Hα-helixtrans-64.3-42.3174.4-62.2-37.6000112.3F76 T78 T87 I88 M93 K94 L95 V105F76-Y91 HydrophobicContact CB-CD1 4.45Å; F76-Y91 HydrophobicContact CB-CE1 4.1Å; F76-Y91 HydrophobicContact CB-CE2 4.33Å; F76-Y91 AromaticContact CD1-CD1 3.38Å; F76-Y91 HydrophobicContact CD1-CD1 3.38Å; F76-Y91 AromaticContact CD1-CE1 3.42Å; F76-Y91 HydrophobicContact CD1-CE1 3.42Å; F76-Y91 VanDerWaalsContact CD1-CE1 3.42Å; F76-Y91 HydrophobicContact CD1-CG 4.16Å; F76-Y91 HydrophobicContact CD2-CD1 4.16Å; F76-Y91 HydrophobicContact CD2-CG 4.12Å; F76-Y91 AromaticContact CE1-CD1 3.45Å; F76-Y91 HydrophobicContact CE1-CD1 3.45Å; F76-Y91 VanDerWaalsContact CE1-CD1 3.45Å; F76-Y91 AromaticContact CE1-CE1 3.94Å; F76-Y91 HydrophobicContact CE1-CE1 3.94Å; F76-Y91 HydrophobicContact CE1-CG 4.22Å; F76-Y91 HydrophobicContact CE2-CD1 4.23Å; F76-Y91 HydrophobicContact CE2-CG 4.2Å; F76-Y91 AromaticContact CG-CD1 3.75Å; F76-Y91 HydrophobicContact CG-CD1 3.75Å; F76-Y91 HydrophobicContact CG-CD2 4.47Å; F76-Y91 AromaticContact CG-CE1 3.82Å; F76-Y91 HydrophobicContact CG-CE1 3.82Å; F76-Y91 HydrophobicContact CG-CG 4.11Å; F76-Y91 AromaticContact CZ-CD1 3.9Å; F76-Y91 HydrophobicContact CZ-CD1 3.9Å; F76-Y91 HydrophobicContact CZ-CG 4.25Å; T78-Y91 WeakPolarHBondContact CB-OH 3.38Å; T87-Y91 HydrophobicContact CG2-CD2 4.39Å; T87-Y91 HydrophobicContact CG2-CE2 3.65Å; T87-Y91 WeakPolarHBondContact O-CD2 3.3Å; T87-Y91 PolarHBondContact O-N 3.13Å; I88-Y91 HydrophobicContact CD1-CD2 4.37Å; I88-Y91 PolarHBondContact O-N 3.46Å; I88-Y91 VanDerWaalsContact O-N 3.17Å; Y91-M93 VanDerWaalsContact C-N 3.31Å; Y91-M93 PolarHBondContact O-N 3.32Å; Y91-K94 WeakPolarHBondContact O-CB 3.24Å; Y91-K94 PolarHBondContact O-N 2.94Å; Y91-L95 WeakPolarHBondContact O-CG 3.41Å; Y91-L95 PolarHBondContact O-N 2.86Å; Y91-V105 HydrophobicContact CD2-CG1 4.47Å; Y91-V105 HydrophobicContact CD2-CG2 4.16Å; Y91-V105 HydrophobicContact CE2-CG1 3.97Å; Y91-V105 HydrophobicContact CE2-CG2 4.43Å
92C90.4Very high91Very high7 Ų764.9 Ų64.95%0.04735%0.352CS..Hα-helixtrans-61.1-38.8175.1-64.40000112.5I88 K89 L95 Q96I88-C92 PolarHBondContact O-N 3.04Å; I88-C92 PolarHBondContact O-SG 3.34Å; I88-C92 VanDerWaalsContact O-SG 3.32Å; K89-C92 PolarHBondContact O-N 2.79Å; C92-L95 PolarHBondContact O-N 2.83Å; C92-Q96 WeakPolarHBondContact O-CB 3.45Å; C92-Q96 PolarHBondContact O-N 3.07Å
93M91.5Very high91.2Very high134 Ų13459.3 Ų59.366%0.6633%0.328SS*.Hα-helixtrans-65.1-41.6174.6-72.4177.6179.700111.9K89 G90 Y91 Q96 G97K89-M93 WeakPolarHBondContact O-CG 3.39Å; K89-M93 PolarHBondContact O-N 3.36Å; G90-M93 PolarHBondContact O-N 3.31Å; Y91-M93 VanDerWaalsContact C-N 3.31Å; Y91-M93 PolarHBondContact O-N 3.32Å; M93-Q96 PolarHBondContact O-N 3.16Å; M93-G97 PolarHBondContact O-N 3.4Å
94K91.3Very high91.4Very high127 Ų12759.3 Ų59.355%0.55233%0.328SS*.Hα-helixtrans-60.6-47.3173.3-72.4-176177.2-172.20111.4F76 G90 Y91 Q96 G97 E98F76-K94 HydrophobicContact CE1-CD 4.05Å; F76-K94 HydrophobicContact CZ-CB 4.4Å; G90-K94 WeakPolarHBondContact O-CG 3.49Å; G90-K94 PolarHBondContact O-N 3.46Å; Y91-K94 WeakPolarHBondContact O-CB 3.24Å; Y91-K94 PolarHBondContact O-N 2.94Å; K94-Q96 VanDerWaalsContact C-N 3.29Å; K94-Q96 PolarHBondContact O-N 2.92Å; K94-G97 PolarHBondContact O-N 3.43Å; K94-G97 VanDerWaalsContact O-N 3.16Å; K94-E98 PolarHBondContact O-N 2.9Å; K94-E98 VanDerWaalsContact O-N 3.15Å
95L91.7Very high91.5Very high0 Ų058.5 Ų58.50%032%0.319CS..Hα-helixtrans-59.2-40.7176.1-69.5171.7000112.2F74 F76 Y91 C92 E98 G99 M100 A103 Y126 L128F74-L95 HydrophobicContact CB-CD2 3.93Å; F76-L95 HydrophobicContact CE2-CD2 4.24Å; F76-L95 HydrophobicContact CE2-CG 4.3Å; F76-L95 HydrophobicContact CZ-CD2 4.49Å; F76-L95 HydrophobicContact CZ-CG 4.49Å; Y91-L95 WeakPolarHBondContact O-CG 3.41Å; Y91-L95 PolarHBondContact O-N 2.86Å; C92-L95 PolarHBondContact O-N 2.83Å; L95-E98 PolarHBondContact O-N 3.21Å; L95-G99 PolarHBondContact O-N 2.87Å; L95-G99 VanDerWaalsContact O-N 3.08Å; L95-M100 HydrophobicContact CD2-CB 3.77Å; L95-M100 HydrophobicContact CD2-CE 3.79Å; L95-M100 HydrophobicContact CD2-SD 4.33Å; L95-M100 PolarHBondContact O-N 3.31Å; L95-A103 HydrophobicContact CD1-CB 3.8Å; L95-A103 HydrophobicContact CD2-CB 3.99Å; L95-A103 HydrophobicContact CG-CB 4.42Å; L95-Y126 HydrophobicContact CB-CD1 4.25Å; L95-Y126 HydrophobicContact CB-CE1 4.22Å; L95-Y126 HydrophobicContact CD1-CD1 4.43Å; L95-L128 HydrophobicContact CD1-CD1 4.17Å; L95-L128 HydrophobicContact CD1-CG 4.37Å
96Q90.5Very high91.7Very high121 Ų12155.4 Ų55.457%0.56530%0.303SS*.Hα-helixtrans-63.5-41176.1-174.6176.8-5.600112.5C92 M93 K94 E98 G99 Y126C92-Q96 WeakPolarHBondContact O-CB 3.45Å; C92-Q96 PolarHBondContact O-N 3.07Å; M93-Q96 PolarHBondContact O-N 3.16Å; K94-Q96 VanDerWaalsContact C-N 3.29Å; K94-Q96 PolarHBondContact O-N 2.92Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; Q96-G99 PolarHBondContact O-N 3.36Å; Q96-Y126 WeakPolarHBondContact CB-OH 3.24Å
97G90Very high91.8Very high68 Ų6846.8 Ų46.870%0.70127%0.265SS*.Hα-helixtrans-63.6-38.2178.700000113M93 K94 G99M93-G97 PolarHBondContact O-N 3.4Å; K94-G97 PolarHBondContact O-N 3.43Å; K94-G97 VanDerWaalsContact O-N 3.16Å; G97-G99 VanDerWaalsContact C-N 3.35Å
98E87.8Confident91.8Very high134 Ų13447.6 Ų47.663%0.62627%0.268SS*.THydrogen-bonded Turntrans-87-2179.2-62.1-63.8157.500113.3K94 L95 Q96 M100K94-E98 PolarHBondContact O-N 2.9Å; K94-E98 VanDerWaalsContact O-N 3.15Å; L95-E98 PolarHBondContact O-N 3.21Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; E98-M100 HydrophobicContact CB-CE 3.35Å; E98-M100 HydrophobicContact CB-CG 4.08Å; E98-M100 HydrophobicContact CB-SD 4.44Å; E98-M100 HydrophobicContact CG-CE 3.73Å; E98-M100 PolarHBondContact O-N 3.4Å
99G87.8Confident91.8Very high67 Ų6752.5 Ų52.569%0.69129%0.291SS*.THydrogen-bonded Turntrans69.717.4-177.900000114.7L95 Q96 G97L95-G99 PolarHBondContact O-N 2.87Å; L95-G99 VanDerWaalsContact O-N 3.08Å; Q96-G99 PolarHBondContact O-N 3.36Å; G97-G99 VanDerWaalsContact C-N 3.35Å
100M89.5Confident91.8Very high10 Ų1049.1 Ų49.15%0.04929%0.285CS..  trans-89.6153.5-179.3-64.8-175.1-77.800112.4L62 Q72 F74 L95 E98 Y126L62-M100 HydrophobicContact CD1-CE 3.99Å; L62-M100 HydrophobicContact CD1-SD 3.26Å; L62-M100 WeakPolarHBondContact CD1-SD 3.43Å; Q72-M100 HydrophobicContact CB-CG 4.11Å; Q72-M100 HydrophobicContact CB-SD 4.01Å; F74-M100 HydrophobicContact CB-CE 3.95Å; F74-M100 HydrophobicContact CB-SD 4Å; F74-M100 HydrophobicContact CD2-CE 3.26Å; F74-M100 HydrophobicContact CD2-SD 3.93Å; F74-M100 HydrophobicContact CE2-CE 4.01Å; F74-M100 HydrophobicContact CG-CE 3.93Å; F74-M100 HydrophobicContact CG-SD 4.45Å; L95-M100 HydrophobicContact CD2-CB 3.77Å; L95-M100 HydrophobicContact CD2-CE 3.79Å; L95-M100 HydrophobicContact CD2-SD 4.33Å; L95-M100 PolarHBondContact O-N 3.31Å; E98-M100 HydrophobicContact CB-CE 3.35Å; E98-M100 HydrophobicContact CB-CG 4.08Å; E98-M100 HydrophobicContact CB-SD 4.44Å; E98-M100 HydrophobicContact CG-CE 3.73Å; E98-M100 PolarHBondContact O-N 3.4Å; M100-Y126 WeakPolarHBondContact O-CE1 3.15Å
101T89.7Confident91.7Very high74 Ų7448.7 Ų48.745%0.45428%0.275SS..  trans-115.8-17.4179.657.60000113.6Y126 I127T101-Y126 CarbonylContact O-C 3.57Å; T101-Y126 WeakPolarHBondContact O-CA 3.47Å; T101-I127 PolarHBondContact O-N 2.85Å
102R92.6Very high91.8Very high59 Ų5949.2 Ų49.222%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-121.2139.9-174.2-58.9-166.2-176.6-171.618.4112.3E71 L73 F74 I127E71-R102 WeakPolarHBondContact OE1-CD 3.36Å; E71-R102 IonicContact OE1-CZ 2.64Å; E71-R102 IonicContact OE1-NE 2.75Å; E71-R102 PolarHBondContact OE1-NE 3.49Å; E71-R102 VanDerWaalsContact OE1-NE 3.1Å; E71-R102 IonicContact OE1-NH1 3.41Å; E71-R102 PolarHBondContact OE1-NH1 2.89Å; E71-R102 IonicContact OE1-NH2 3.85Å; E71-R102 PolarHBondContact OE1-NH2 3.26Å; E71-R102 VanDerWaalsContact OE1-NH2 3.13Å; E71-R102 IonicContact OE2-NH2 3.45Å; L73-R102 HydrophobicContact CD1-CB 3.68Å; F74-R102 PolarHBondContact N-O 2.96Å; R102-I127 WeakPolarHBondContact CA-O 3.31Å; R102-I127 HydrophobicContact CG-CB 4.44Å
103A95.2Very high91.8Very high0 Ų053.9 Ų53.90%031%0.311CS..EExtended strand (participates in β ladder)trans-147.6155170.300000112.7F74 F76 L95 I127 L128 E129F74-A103 HydrophobicContact CB-CB 4.29Å; F74-A103 CarbonylContact O-C 3.56Å; F74-A103 WeakPolarHBondContact O-CA 3.47Å; F74-A103 VanDerWaalsContact O-CB 3.32Å; F74-A103 WeakPolarHBondContact O-CB 3.46Å; F76-A103 HydrophobicContact CD2-CB 3.94Å; F76-A103 HydrophobicContact CE2-CB 3.74Å; L95-A103 HydrophobicContact CD1-CB 3.8Å; L95-A103 HydrophobicContact CD2-CB 3.99Å; L95-A103 HydrophobicContact CG-CB 4.42Å; A103-I127 PolarHBondContact N-O 3.47Å; A103-L128 HydrophobicContact CB-CG 4.29Å; A103-L128 CarbonylContact O-C 3.43Å; A103-L128 WeakPolarHBondContact O-CA 3.33Å; A103-E129 PolarHBondContact O-N 3.39Å
104I95.9Very high91.9Very high0 Ų053.5 Ų53.50%031%0.311CS..EExtended strand (participates in β ladder)trans-109.9133.7165.7-57.5-171.5000107.6M21 L73 F74 V75 F76 I106 E129 F131M21-I104 HydrophobicContact CE-CD1 3.46Å; M21-I104 VanDerWaalsContact CE-CD1 3.46Å; M21-I104 HydrophobicContact CE-CG2 4.46Å; M21-I104 HydrophobicContact SD-CD1 4.42Å; L73-I104 HydrophobicContact CD1-CG1 4.06Å; L73-I104 HydrophobicContact CD2-CD1 3.84Å; L73-I104 HydrophobicContact CD2-CG1 4.09Å; L73-I104 HydrophobicContact CG-CG1 4.34Å; F74-I104 PolarHBondContact O-N 3.47Å; V75-I104 CarbonylContact C-O 3.45Å; V75-I104 WeakPolarHBondContact CA-O 3.28Å; V75-I104 HydrophobicContact CG1-CB 4.35Å; V75-I104 HydrophobicContact CG2-CB 4.29Å; F76-I104 PolarHBondContact N-O 2.88Å; I104-I106 HydrophobicContact CG2-CG1 4.18Å; I104-E129 CarbonylContact C-O 3.52Å; I104-E129 WeakPolarHBondContact CA-O 3.39Å; I104-E129 HydrophobicContact CG1-CB 4.34Å; I104-F131 HydrophobicContact CD1-CE2 4.5Å; I104-F131 HydrophobicContact CG2-CD2 3.57Å; I104-F131 HydrophobicContact CG2-CE2 3.98Å
105V95.1Very high91.9Very high2 Ų247.5 Ų47.51%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-115.6119.3175.7-176.10000108.4F76 I83 Y91 L128 E129 F130 F131F76-V105 HydrophobicContact CB-CG2 4.46Å; F76-V105 HydrophobicContact CD2-CG2 4.31Å; I83-V105 HydrophobicContact CD1-CG1 3.58Å; Y91-V105 HydrophobicContact CD2-CG1 4.47Å; Y91-V105 HydrophobicContact CD2-CG2 4.16Å; Y91-V105 HydrophobicContact CE2-CG1 3.97Å; Y91-V105 HydrophobicContact CE2-CG2 4.43Å; V105-L128 HydrophobicContact CG2-CD2 4.16Å; V105-E129 PolarHBondContact N-O 3.08Å; V105-F130 HydrophobicContact CB-CD2 4.37Å; V105-F130 HydrophobicContact CG1-CD2 4.36Å; V105-F130 WeakPolarHBondContact O-CA 3.38Å; V105-F130 WeakPolarHBondContact O-CD2 3.43Å; V105-F131 PolarHBondContact O-N 3.02Å
106I95.8Very high91.8Very high0 Ų052.6 Ų52.60%031%0.307CS..EExtended strand (participates in β ladder)trans-104.7118.6179.2-59.3171.9000108.1V14 A18 V75 F76 F77 T78 I104 F131 E133 L136V14-I106 HydrophobicContact CG1-CG2 3.91Å; A18-I106 HydrophobicContact CB-CD1 3.86Å; V75-I106 HydrophobicContact CG1-CD1 3.66Å; V75-I106 HydrophobicContact CG1-CG1 4.36Å; F76-I106 PolarHBondContact O-N 3.33Å; F77-I106 HydrophobicContact CD1-CB 4.34Å; F77-I106 HydrophobicContact CD1-CG2 4.24Å; F77-I106 HydrophobicContact CD2-CD1 4.31Å; F77-I106 HydrophobicContact CE1-CB 4.47Å; F77-I106 HydrophobicContact CE1-CD1 3.99Å; F77-I106 HydrophobicContact CE1-CG2 4.19Å; F77-I106 HydrophobicContact CE2-CD1 3.72Å; F77-I106 HydrophobicContact CZ-CD1 3.53Å; T78-I106 VanDerWaalsContact CG2-O 3.24Å; T78-I106 WeakPolarHBondContact CG2-O 3.33Å; T78-I106 PolarHBondContact N-O 2.97Å; T78-I106 VanDerWaalsContact N-O 3.08Å; I104-I106 HydrophobicContact CG2-CG1 4.18Å; I106-F131 WeakPolarHBondContact CA-O 3.47Å; I106-E133 HydrophobicContact CG2-CG 3.77Å; I106-L136 HydrophobicContact CD1-CD1 3.57Å; I106-L136 HydrophobicContact CG1-CD1 3.76Å; I106-L136 HydrophobicContact CG2-CD1 4.09Å
107G93.7Very high91.9Very high0 Ų051.5 Ų51.50%030%0.302CS..EExtended strand (participates in β ladder)trans-123.9156.1-179.300000114.4T78 F131 L132 E133T78-G107 VanDerWaalsContact CG2-CA 3.42Å; G107-F131 PolarHBondContact N-O 3.33Å; G107-L132 CarbonylContact O-C 3.36Å; G107-L132 WeakPolarHBondContact O-CA 3.35Å; G107-E133 PolarHBondContact O-N 3.25Å
108Q92Very high91.9Very high40 Ų4048.6 Ų48.619%0.18727%0.271CS..SBendtrans-70.4-49.2179.7-67.8171.65400111.9R56 D79 E133R56-Q108 VanDerWaalsContact NE-NE2 3.18Å; R56-Q108 VanDerWaalsContact NH2-CD 3.26Å; D79-Q108 PolarHBondContact O-NE2 2.92Å; Q108-E133 WeakPolarHBondContact CG-OE1 3.43Å
109E93Very high91.9Very high103 Ų10343.4 Ų43.448%0.48125%0.247SC..SBendtrans-118.1-168.3173-45.9177.2-176.100110.1K81 F130 L132K81-E109 HydrophobicContact CB-CG 4.28Å; K81-E109 WeakPolarHBondContact O-CA 3.31Å; K81-E109 WeakPolarHBondContact O-CB 3.1Å; K81-E109 PolarHBondContact O-N 3.41Å; E109-F130 VanDerWaalsContact O-CZ 3.31Å; E109-F130 WeakPolarHBondContact O-CZ 3.26Å; E109-L132 WeakPolarHBondContact O-CD2 3.27Å
110G90.5Very high91.9Very high31 Ų3146.5 Ų46.532%0.3225%0.245SC..  trans-75.3176.7-177.700000115.3K82 I83K82-G110 WeakPolarHBondContact CA-O 3.15Å; K82-G110 VanDerWaalsContact CG-O 3.28Å; K82-G110 WeakPolarHBondContact CG-O 3.43Å; I83-G110 PolarHBondContact N-O 3.2Å
111M90.8Very high91.8Very high22 Ų2251.2 Ų51.211%0.10827%0.271CS..BIsolated β-bridgetrans-89.9149.1173.3-57.6-175.2-79.700111.8I83 A115 K116 L119 F130I83-M111 HydrophobicContact CB-CG 4.07Å; I83-M111 HydrophobicContact CD1-CG 4.29Å; M111-A115 HydrophobicContact CB-CB 4.25Å; M111-K116 HydrophobicContact CB-CG 3.91Å; M111-K116 HydrophobicContact CE-CG 4.08Å; M111-L119 HydrophobicContact CE-CD1 3.52Å; M111-L119 HydrophobicContact SD-CD1 3.31Å; M111-L119 WeakPolarHBondContact SD-CD1 3.15Å; M111-F130 HydrophobicContact CE-CB 3.43Å; M111-F130 VanDerWaalsContact CE-CB 3.43Å; M111-F130 HydrophobicContact CE-CD1 3.67Å; M111-F130 HydrophobicContact CE-CD2 4Å; M111-F130 HydrophobicContact CE-CE1 4.45Å; M111-F130 HydrophobicContact CE-CG 3.39Å; M111-F130 HydrophobicContact CG-CD1 4.36Å; M111-F130 HydrophobicContact CG-CD2 3.84Å; M111-F130 HydrophobicContact CG-CE1 4.33Å; M111-F130 HydrophobicContact CG-CE2 3.83Å; M111-F130 HydrophobicContact CG-CG 4.12Å; M111-F130 HydrophobicContact CG-CZ 4.09Å; M111-F130 HydrophobicContact SD-CB 4.04Å; M111-F130 HydrophobicContact SD-CD1 4.42Å; M111-F130 HydrophobicContact SD-CD2 3.71Å; M111-F130 HydrophobicContact SD-CE2 4.32Å; M111-F130 HydrophobicContact SD-CG 3.77Å
112T92.6Very high91.7Very high35 Ų3550.7 Ų50.722%0.21526%0.264CS..  trans-61.4148.5168.158.20000111.1K82 I83 L114 A115 K116K82-T112 HydrophobicContact CD-CG2 3.98Å; K82-T112 HydrophobicContact CG-CG2 4.05Å; I83-T112 PolarHBondContact O-N 2.92Å; I83-T112 PolarHBondContact O-OG1 3.07Å; I83-T112 VanDerWaalsContact O-OG1 3.12Å; T112-L114 PolarHBondContact O-N 3.2Å; T112-A115 WeakPolarHBondContact O-CA 3.39Å; T112-A115 WeakPolarHBondContact O-CB 3.24Å; T112-A115 PolarHBondContact O-N 2.97Å; T112-A115 VanDerWaalsContact OG1-CB 3.25Å; T112-A115 WeakPolarHBondContact OG1-CB 3.32Å; T112-A115 PolarHBondContact OG1-N 3.43Å; T112-K116 PolarHBondContact O-N 2.88Å
113P91.6Very high91.3Very high105 Ų10550.4 Ų50.468%0.68227%0.274SS*.Hα-helixtrans-55.1-36.6177.5-27.635.5000113.5K116 Q117P113-K116 WeakPolarHBondContact O-CB 3.4Å; P113-K116 PolarHBondContact O-N 3.1Å; P113-Q117 PolarHBondContact O-N 3.48Å
114L93Very high90.9Very high126 Ų12656.2 Ų56.266%0.6631%0.312SS*.Hα-helixtrans-65.7-37.7174.7-67.7175.6000112.7T112 A118T112-L114 PolarHBondContact O-N 3.2Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.47Å
115A91.5Very high90.6Very high0 Ų062.6 Ų62.60%034%0.34CS..Hα-helixtrans-67.1-40.4173.400000111.5I88 M111 T112 Q117 A118 L119I88-A115 HydrophobicContact CG1-CB 4.08Å; M111-A115 HydrophobicContact CB-CB 4.25Å; T112-A115 WeakPolarHBondContact O-CA 3.39Å; T112-A115 WeakPolarHBondContact O-CB 3.24Å; T112-A115 PolarHBondContact O-N 2.97Å; T112-A115 VanDerWaalsContact OG1-CB 3.25Å; T112-A115 WeakPolarHBondContact OG1-CB 3.32Å; T112-A115 PolarHBondContact OG1-N 3.43Å; A115-Q117 PolarHBondContact O-N 2.88Å; A115-A118 PolarHBondContact O-N 2.88Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 2.86Å
116K90.4Very high90.3Very high107 Ų10763.4 Ų63.447%0.46534%0.343SS..Hα-helixtrans-60.3-44.5174.2-68.3-173.6179.4-174.10112.1M111 T112 P113 L119 M120M111-K116 HydrophobicContact CB-CG 3.91Å; M111-K116 HydrophobicContact CE-CG 4.08Å; T112-K116 PolarHBondContact O-N 2.88Å; P113-K116 WeakPolarHBondContact O-CB 3.4Å; P113-K116 PolarHBondContact O-N 3.1Å; K116-L119 WeakPolarHBondContact O-CB 3.46Å; K116-L119 PolarHBondContact O-N 3.06Å; K116-M120 PolarHBondContact O-N 3.23Å
117Q90.8Very high90.1Very high99 Ų9966 Ų6646%0.46336%0.356SS..Hα-helixtrans-62.8-45.8176.1-171.663.238.900111P113 A115 L119 M120 D121P113-Q117 PolarHBondContact O-N 3.48Å; A115-Q117 PolarHBondContact O-N 2.88Å; Q117-L119 VanDerWaalsContact C-N 3.26Å; Q117-L119 PolarHBondContact O-N 3.16Å; Q117-M120 WeakPolarHBondContact O-CB 3.44Å; Q117-M120 PolarHBondContact O-N 2.74Å; Q117-D121 PolarHBondContact NE2-OD1 2.93Å; Q117-D121 VanDerWaalsContact O-CG 3.24Å; Q117-D121 PolarHBondContact O-N 3.23Å
118A90.1Very high90Very high6 Ų667.2 Ų67.25%0.0536%0.362CS..Hα-helixtrans-59.6-35.4177.900000112.8I85 L114 A115 D121 M122I85-A118 HydrophobicContact CD1-CB 3.98Å; I85-A118 HydrophobicContact CG1-CB 3.91Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.47Å; A115-A118 PolarHBondContact O-N 2.88Å; A118-D121 PolarHBondContact O-N 2.89Å; A118-M122 WeakPolarHBondContact O-CG 3.36Å; A118-M122 PolarHBondContact O-N 3.47Å; A118-M122 VanDerWaalsContact O-N 3.1Å
119L88.4Confident90.1Very high26 Ų2667 Ų6714%0.13636%0.361CS..Hα-helixtrans-63.3-41.1173.4-72.3171.7000112.4I88 M111 A115 K116 Q117 A123 L128I88-L119 HydrophobicContact CD1-CD2 4.14Å; I88-L119 HydrophobicContact CD1-CG 4.49Å; I88-L119 HydrophobicContact CG1-CD2 4.49Å; I88-L119 HydrophobicContact CG2-CD2 3.72Å; I88-L119 HydrophobicContact CG2-CG 4.16Å; M111-L119 HydrophobicContact CE-CD1 3.52Å; M111-L119 HydrophobicContact SD-CD1 3.31Å; M111-L119 WeakPolarHBondContact SD-CD1 3.15Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 2.86Å; K116-L119 WeakPolarHBondContact O-CB 3.46Å; K116-L119 PolarHBondContact O-N 3.06Å; Q117-L119 VanDerWaalsContact C-N 3.26Å; Q117-L119 PolarHBondContact O-N 3.16Å; L119-A123 PolarHBondContact O-N 3.01Å; L119-L128 HydrophobicContact CD2-CB 3.45Å; L119-L128 VanDerWaalsContact CD2-CB 3.45Å; L119-L128 HydrophobicContact CD2-CD1 4.43Å; L119-L128 HydrophobicContact CD2-CD2 3.75Å; L119-L128 HydrophobicContact CD2-CG 4.07Å
120M87.6Confident90.1Very high132 Ų13263.7 Ų63.765%0.6535%0.345SS*.Hα-helixtrans-67.5-40.1176.8-64.3-177.5-175.700111.7K116 Q117 M122 A123K116-M120 PolarHBondContact O-N 3.23Å; Q117-M120 WeakPolarHBondContact O-CB 3.44Å; Q117-M120 PolarHBondContact O-N 2.74Å; M120-M122 VanDerWaalsContact C-N 3.29Å; M120-M122 PolarHBondContact O-N 3.44Å; M120-A123 WeakPolarHBondContact O-CB 3.38Å; M120-A123 PolarHBondContact O-N 3.07Å
121D88.6Confident90.4Very high109 Ų10962.7 Ų62.758%0.58333%0.332SS*.Hα-helixtrans-69.8-25.7-179.3-60.5-17.9000112.6Q117 A118Q117-D121 PolarHBondContact NE2-OD1 2.93Å; Q117-D121 VanDerWaalsContact O-CG 3.24Å; Q117-D121 PolarHBondContact O-N 3.23Å; A118-D121 PolarHBondContact O-N 2.89Å
122M86.9Confident90.6Very high62 Ų6264 Ų6431%0.30534%0.339SS..Hα-helixtrans-81.3-17.9176.3-67.2-70.6176.800112.9A118 M120 K125 Y126A118-M122 WeakPolarHBondContact O-CG 3.36Å; A118-M122 PolarHBondContact O-N 3.47Å; A118-M122 VanDerWaalsContact O-N 3.1Å; M120-M122 VanDerWaalsContact C-N 3.29Å; M120-M122 PolarHBondContact O-N 3.44Å; M122-K125 PolarHBondContact O-N 3.15Å; M122-K125 VanDerWaalsContact O-N 3.1Å; M122-Y126 PolarHBondContact O-N 2.92Å; M122-Y126 VanDerWaalsContact O-N 3.08Å
123A84.4Confident90.7Very high53 Ų5362.3 Ų62.344%0.43833%0.329SS..THydrogen-bonded Turntrans-74.2142170.600000109.8L119 M120L119-A123 PolarHBondContact O-N 3.01Å; M120-A123 WeakPolarHBondContact O-CB 3.38Å; M120-A123 PolarHBondContact O-N 3.07Å
124P85.8Confident90.8Very high123 Ų12360.4 Ų60.480%0.79932%0.322SS*.THydrogen-bonded Turncis-92.10.31136-36.3000114.7
125K89.2Confident90.9Very high134 Ų13458 Ų5858%0.58331%0.308SS*.THydrogen-bonded Turntrans-65.8-44.4-173.2-174.5-179178.4-170.20112.3M122M122-K125 PolarHBondContact O-N 3.15Å; M122-K125 VanDerWaalsContact O-N 3.1Å
126Y89.9Confident91.1Very high19 Ų1958.2 Ų58.28%0.07531%0.309CS..SBendtrans-120.8131.9174.8-58.5-75.2000109.6L95 Q96 M100 T101 M122L95-Y126 HydrophobicContact CB-CD1 4.25Å; L95-Y126 HydrophobicContact CB-CE1 4.22Å; L95-Y126 HydrophobicContact CD1-CD1 4.43Å; Q96-Y126 WeakPolarHBondContact CB-OH 3.24Å; M100-Y126 WeakPolarHBondContact O-CE1 3.15Å; T101-Y126 CarbonylContact O-C 3.57Å; T101-Y126 WeakPolarHBondContact O-CA 3.47Å; M122-Y126 PolarHBondContact O-N 2.92Å; M122-Y126 VanDerWaalsContact O-N 3.08Å
127I91Very high91.3Very high54 Ų5455.5 Ų55.528%0.27730%0.299SS..EExtended strand (participates in β ladder)trans-108.2105.8177.5-57.1177.1000107.3T101 R102 A103T101-I127 PolarHBondContact O-N 2.85Å; R102-I127 WeakPolarHBondContact CA-O 3.31Å; R102-I127 HydrophobicContact CG-CB 4.44Å; A103-I127 PolarHBondContact N-O 3.47Å
128L92.1Very high91.5Very high25 Ų2556.5 Ų56.513%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-111.1119.8178.4-77.888.1000109L95 A103 V105 L119L95-L128 HydrophobicContact CD1-CD1 4.17Å; L95-L128 HydrophobicContact CD1-CG 4.37Å; A103-L128 HydrophobicContact CB-CG 4.29Å; A103-L128 CarbonylContact O-C 3.43Å; A103-L128 WeakPolarHBondContact O-CA 3.33Å; V105-L128 HydrophobicContact CG2-CD2 4.16Å; L119-L128 HydrophobicContact CD2-CB 3.45Å; L119-L128 VanDerWaalsContact CD2-CB 3.45Å; L119-L128 HydrophobicContact CD2-CD1 4.43Å; L119-L128 HydrophobicContact CD2-CD2 3.75Å; L119-L128 HydrophobicContact CD2-CG 4.07Å
129E93.8Very high91.7Very high35 Ų3556.4 Ų56.416%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-95.5144.6172.9-64.7176.3-135.500109.5R25 A103 I104 V105 F131R25-E129 IonicContact CZ-OE1 3.73Å; R25-E129 IonicContact CZ-OE2 3.26Å; R25-E129 VanDerWaalsContact CZ-OE2 3.29Å; R25-E129 IonicContact NH1-OE1 3.13Å; R25-E129 PolarHBondContact NH1-OE1 3.04Å; R25-E129 IonicContact NH1-OE2 2.88Å; R25-E129 PolarHBondContact NH1-OE2 2.72Å; R25-E129 IonicContact NH2-OE2 2.72Å; R25-E129 PolarHBondContact NH2-OE2 2.76Å; A103-E129 PolarHBondContact O-N 3.39Å; I104-E129 CarbonylContact C-O 3.52Å; I104-E129 WeakPolarHBondContact CA-O 3.39Å; I104-E129 HydrophobicContact CG1-CB 4.34Å; V105-E129 PolarHBondContact N-O 3.08Å; E129-F131 HydrophobicContact CB-CE2 4.19Å
130F94Very high92Very high34 Ų3457.4 Ų57.415%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-119.3135.7179.2175.6-100.2000110.2I83 V105 E109 M111 L132 R182I83-F130 HydrophobicContact CD1-CD2 4.04Å; I83-F130 HydrophobicContact CD1-CE2 3.54Å; V105-F130 HydrophobicContact CB-CD2 4.37Å; V105-F130 HydrophobicContact CG1-CD2 4.36Å; V105-F130 WeakPolarHBondContact O-CA 3.38Å; V105-F130 WeakPolarHBondContact O-CD2 3.43Å; E109-F130 VanDerWaalsContact O-CZ 3.31Å; E109-F130 WeakPolarHBondContact O-CZ 3.26Å; M111-F130 HydrophobicContact CE-CB 3.43Å; M111-F130 VanDerWaalsContact CE-CB 3.43Å; M111-F130 HydrophobicContact CE-CD1 3.67Å; M111-F130 HydrophobicContact CE-CD2 4Å; M111-F130 HydrophobicContact CE-CE1 4.45Å; M111-F130 HydrophobicContact CE-CG 3.39Å; M111-F130 HydrophobicContact CG-CD1 4.36Å; M111-F130 HydrophobicContact CG-CD2 3.84Å; M111-F130 HydrophobicContact CG-CE1 4.33Å; M111-F130 HydrophobicContact CG-CE2 3.83Å; M111-F130 HydrophobicContact CG-CG 4.12Å; M111-F130 HydrophobicContact CG-CZ 4.09Å; M111-F130 HydrophobicContact SD-CB 4.04Å; M111-F130 HydrophobicContact SD-CD1 4.42Å; M111-F130 HydrophobicContact SD-CD2 3.71Å; M111-F130 HydrophobicContact SD-CE2 4.32Å; M111-F130 HydrophobicContact SD-CG 3.77Å; F130-L132 HydrophobicContact CE1-CD2 3.82Å; F130-L132 HydrophobicContact CE1-CG 4.02Å; F130-L132 HydrophobicContact CZ-CD2 3.77Å; F130-L132 HydrophobicContact CZ-CG 4.36Å; F130-R182 PolarHBondContact O-NH2 3.36Å
131F96Very high92.3Very high10 Ų1052.7 Ų52.74%0.04429%0.29CS..EExtended strand (participates in β ladder)trans-130.6145.2172.5-71.3-92.4000110.6M21 I104 V105 I106 G107 E129 L136 R182M21-F131 HydrophobicContact CE-CE2 4.33Å; M21-F131 HydrophobicContact SD-CE1 4.36Å; M21-F131 HydrophobicContact SD-CE2 4.14Å; M21-F131 HydrophobicContact SD-CZ 3.85Å; I104-F131 HydrophobicContact CD1-CE2 4.5Å; I104-F131 HydrophobicContact CG2-CD2 3.57Å; I104-F131 HydrophobicContact CG2-CE2 3.98Å; V105-F131 PolarHBondContact O-N 3.02Å; I106-F131 WeakPolarHBondContact CA-O 3.47Å; G107-F131 PolarHBondContact N-O 3.33Å; E129-F131 HydrophobicContact CB-CE2 4.19Å; F131-L136 HydrophobicContact CB-CD1 3.86Å; F131-L136 HydrophobicContact CB-CG 4.11Å; F131-L136 HydrophobicContact CD1-CD2 4.04Å; F131-L136 HydrophobicContact CD1-CG 4.44Å; F131-L136 HydrophobicContact CG-CD1 4.37Å; F131-L136 HydrophobicContact CG-CD2 4.37Å; F131-L136 HydrophobicContact CG-CG 4.48Å; F131-R182 HydrophobicContact CE1-CB 4.16Å; F131-R182 HydrophobicContact CZ-CB 4.27Å; F131-R182 WeakPolarHBondContact CZ-O 3.4Å
132L95.1Very high92.6Very high49 Ų4952.5 Ų52.526%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-81.7141.9166.4-65.4168000109.1G107 E109 F130 A134 E135 L136G107-L132 CarbonylContact O-C 3.36Å; G107-L132 WeakPolarHBondContact O-CA 3.35Å; E109-L132 WeakPolarHBondContact O-CD2 3.27Å; F130-L132 HydrophobicContact CE1-CD2 3.82Å; F130-L132 HydrophobicContact CE1-CG 4.02Å; F130-L132 HydrophobicContact CZ-CD2 3.77Å; F130-L132 HydrophobicContact CZ-CG 4.36Å; L132-A134 PolarHBondContact O-N 3.1Å; L132-E135 HydrophobicContact CB-CB 4.4Å; L132-E135 HydrophobicContact CB-CG 3.97Å; L132-E135 HydrophobicContact CD1-CG 4.49Å; L132-E135 PolarHBondContact N-OE2 3.42Å; L132-E135 VanDerWaalsContact N-OE2 3.07Å; L132-E135 WeakPolarHBondContact O-CB 3.26Å; L132-E135 PolarHBondContact O-N 3.4Å; L132-L136 PolarHBondContact O-N 3.26Å
133E94.4Very high93Very high0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-52.3-39.5170.4-74.2179.4-173.300111.4R10 V14 R56 I106 G107 Q108 E135 L136 M137R10-E133 IonicContact CZ-OE2 3.98Å; R10-E133 VanDerWaalsContact CZ-OE2 3.3Å; R10-E133 IonicContact NE-OE2 2.87Å; R10-E133 PolarHBondContact NE-OE2 2.97Å; R10-E133 IonicContact NH2-OE2 3.83Å; R10-E133 PolarHBondContact NH2-OE2 3.44Å; V14-E133 HydrophobicContact CG1-CG 4.45Å; V14-E133 HydrophobicContact CG2-CB 4.14Å; V14-E133 WeakPolarHBondContact CG2-O 3.34Å; R56-E133 IonicContact CZ-OE1 3.88Å; R56-E133 IonicContact NE-OE1 3.04Å; R56-E133 PolarHBondContact NE-OE1 2.96Å; R56-E133 IonicContact NH2-OE1 2.86Å; R56-E133 PolarHBondContact NH2-OE1 2.86Å; R56-E133 IonicContact NH2-OE2 2.94Å; R56-E133 PolarHBondContact NH2-OE2 3.13Å; I106-E133 HydrophobicContact CG2-CG 3.77Å; G107-E133 PolarHBondContact O-N 3.25Å; Q108-E133 WeakPolarHBondContact CG-OE1 3.43Å; E133-E135 VanDerWaalsContact C-N 3.26Å; E133-E135 PolarHBondContact O-N 2.87Å; E133-L136 PolarHBondContact O-N 3.15Å; E133-L136 VanDerWaalsContact O-N 3.07Å; E133-M137 PolarHBondContact O-N 2.84Å; E133-M137 VanDerWaalsContact O-N 3.16Å
134A94.2Very high93.5Very high66 Ų6660.8 Ų60.855%0.54531%0.314SS..Hα-helixtrans-62-31.1177.300000113.4L132 L136L132-A134 PolarHBondContact O-N 3.1Å; A134-L136 VanDerWaalsContact C-N 3.31Å
135E94.2Very high93.9Very high74 Ų7461.8 Ų61.835%0.34631%0.312SS..Hα-helixtrans-71.7-27.9175.7-69.5173.2153.800111.9L132 E133 R182L132-E135 HydrophobicContact CB-CB 4.4Å; L132-E135 HydrophobicContact CB-CG 3.97Å; L132-E135 HydrophobicContact CD1-CG 4.49Å; L132-E135 PolarHBondContact N-OE2 3.42Å; L132-E135 VanDerWaalsContact N-OE2 3.07Å; L132-E135 WeakPolarHBondContact O-CB 3.26Å; L132-E135 PolarHBondContact O-N 3.4Å; E133-E135 VanDerWaalsContact C-N 3.26Å; E133-E135 PolarHBondContact O-N 2.87Å; E135-R182 IonicContact OE1-CZ 3.22Å; E135-R182 IonicContact OE1-NH1 3.3Å; E135-R182 PolarHBondContact OE1-NH1 3.01Å; E135-R182 IonicContact OE1-NH2 2.77Å; E135-R182 IonicContact OE2-CZ 2.73Å; E135-R182 IonicContact OE2-NH1 2.81Å; E135-R182 PolarHBondContact OE2-NH1 3.17Å; E135-R182 IonicContact OE2-NH2 3.29Å; E135-R182 PolarHBondContact OE2-NH2 3.12Å
136L95.8Very high94.2Very high5 Ų557.2 Ų57.23%0.02630%0.295CS..Hα-helixtrans-97.41.2-176.6-64.2178.9000113.5V14 T17 I106 F131 L132 E133 A134 I138V14-L136 HydrophobicContact CB-CB 4.4Å; V14-L136 HydrophobicContact CG1-CB 3.88Å; V14-L136 HydrophobicContact CG1-CD1 4.05Å; V14-L136 HydrophobicContact CG2-CB 4.3Å; T17-L136 VanDerWaalsContact CB-O 3.24Å; T17-L136 WeakPolarHBondContact CB-O 3.47Å; T17-L136 HydrophobicContact CG2-CB 4.45Å; T17-L136 HydrophobicContact CG2-CD2 4.17Å; T17-L136 PolarHBondContact OG1-O 3.4Å; I106-L136 HydrophobicContact CD1-CD1 3.57Å; I106-L136 HydrophobicContact CG1-CD1 3.76Å; I106-L136 HydrophobicContact CG2-CD1 4.09Å; F131-L136 HydrophobicContact CB-CD1 3.86Å; F131-L136 HydrophobicContact CB-CG 4.11Å; F131-L136 HydrophobicContact CD1-CD2 4.04Å; F131-L136 HydrophobicContact CD1-CG 4.44Å; F131-L136 HydrophobicContact CG-CD1 4.37Å; F131-L136 HydrophobicContact CG-CD2 4.37Å; F131-L136 HydrophobicContact CG-CG 4.48Å; L132-L136 PolarHBondContact O-N 3.26Å; E133-L136 PolarHBondContact O-N 3.15Å; E133-L136 VanDerWaalsContact O-N 3.07Å; A134-L136 VanDerWaalsContact C-N 3.31Å; L136-I138 PolarHBondContact O-N 3.49Å
137M94.8Very high94.5Very high51 Ų5158 Ų5825%0.25130%0.303SS..SBendtrans-66.6-27.6174.8-82.9-59.9-67.100113.1F9 R10 R13 V14 E133F9-M137 HydrophobicContact CE1-CE 4.49Å; R10-M137 HydrophobicContact CB-CE 4.33Å; R10-M137 HydrophobicContact CB-SD 4.01Å; R10-M137 HydrophobicContact CG-CE 4.16Å; R10-M137 HydrophobicContact CG-CG 4.32Å; R10-M137 HydrophobicContact CG-SD 3.39Å; R10-M137 WeakPolarHBondContact CG-SD 3.38Å; R13-M137 HydrophobicContact CB-CE 4.25Å; R13-M137 HydrophobicContact CB-SD 4.12Å; R13-M137 HydrophobicContact CG-CE 4.32Å; R13-M137 WeakPolarHBondContact CG-O 3.38Å; R13-M137 HydrophobicContact CG-SD 4.36Å; R13-M137 PolarHBondContact NE-O 3.45Å; V14-M137 HydrophobicContact CG2-CG 4.14Å; V14-M137 HydrophobicContact CG2-SD 3.74Å; E133-M137 PolarHBondContact O-N 2.84Å; E133-M137 VanDerWaalsContact O-N 3.16Å
138I94.5Very high94.7Very high120 Ų12061 Ų6162%0.61532%0.316SS*.SBendtrans-128123.7178.2-59.5174.6000106.7L136 V140L136-I138 PolarHBondContact O-N 3.49Å; I138-V140 PolarHBondContact O-N 3.42Å; I138-V140 VanDerWaalsContact O-N 3.16Å
139N95.2Very high95Very high4 Ų460.8 Ų60.82%0.02131%0.314CS..  trans-71.4110.9171.6-167.5-9.8000109.3T17 Q20 T141 E142 Y183T17-N139 HydrophobicContact CG2-CB 3.82Å; Q20-N139 PolarHBondContact OE1-ND2 3.25Å; N139-T141 PolarHBondContact ND2-OG1 3.29Å; N139-T141 PolarHBondContact O-N 3.23Å; N139-T141 PolarHBondContact OD1-N 2.81Å; N139-T141 PolarHBondContact OD1-OG1 3.3Å; N139-E142 HydrophobicContact CB-CB 4.46Å; N139-E142 HydrophobicContact CB-CG 3.97Å; N139-E142 PolarHBondContact O-N 2.74Å; N139-Y183 PolarHBondContact ND2-OH 2.99Å; N139-Y183 VanDerWaalsContact ND2-OH 3.16Å; N139-Y183 WeakPolarHBondContact OD1-CE2 3.39Å
140V94.1Very high95.1Very high46 Ų4661.6 Ų61.628%0.27932%0.321SS..G310 helixtrans-64.1-25-177.5-63.40000112.6I138 E142 H143 V146 Y183I138-V140 PolarHBondContact O-N 3.42Å; I138-V140 VanDerWaalsContact O-N 3.16Å; V140-E142 VanDerWaalsContact C-N 3.3Å; V140-E142 PolarHBondContact O-N 3.34Å; V140-H143 WeakPolarHBondContact O-CB 3.38Å; V140-H143 PolarHBondContact O-N 3.38Å; V140-V146 WeakPolarHBondContact O-CB 3.26Å; V140-V146 VanDerWaalsContact O-CG2 3.26Å; V140-V146 WeakPolarHBondContact O-CG2 3.41Å; V140-Y183 HydrophobicContact CG2-CD2 4.49Å
141T94.8Very high95.2Very high33 Ų3362.3 Ų62.320%0.20233%0.329CS..G310 helixtrans-74.7-20.2179.962.50000113.2N139 H143 Y183 Y184N139-T141 PolarHBondContact ND2-OG1 3.29Å; N139-T141 PolarHBondContact O-N 3.23Å; N139-T141 PolarHBondContact OD1-N 2.81Å; N139-T141 PolarHBondContact OD1-OG1 3.3Å; T141-H143 VanDerWaalsContact C-N 3.3Å; T141-Y183 HydrophobicContact CG2-CD1 3.57Å; T141-Y183 HydrophobicContact CG2-CD2 4.29Å; T141-Y183 HydrophobicContact CG2-CE1 3.48Å; T141-Y183 VanDerWaalsContact CG2-CE1 3.48Å; T141-Y183 HydrophobicContact CG2-CE2 4.21Å; T141-Y183 HydrophobicContact CG2-CG 3.98Å; T141-Y184 HydrophobicContact CG2-CE2 4.22Å
142E94.3Very high95.2Very high106 Ų10662.7 Ų62.750%0.49533%0.331SS..G310 helixtrans-83.3-6.3178.3-64.6179.8172.800112.7R13 Q20 N139 V140R13-E142 IonicContact NH2-OE2 3.6Å; Q20-E142 PolarHBondContact NE2-OE1 3.21Å; Q20-E142 PolarHBondContact OE1-OE1 2.89Å; N139-E142 HydrophobicContact CB-CB 4.46Å; N139-E142 HydrophobicContact CB-CG 3.97Å; N139-E142 PolarHBondContact O-N 2.74Å; V140-E142 VanDerWaalsContact C-N 3.3Å; V140-E142 PolarHBondContact O-N 3.34Å
143H95.5Very high95.1Very high100 Ų10062.5 Ų62.546%0.46333%0.333SS..SBendtrans-75.3135.9-177.6-171.6-81.3000111.5V140 T141 L145 V146V140-H143 WeakPolarHBondContact O-CB 3.38Å; V140-H143 PolarHBondContact O-N 3.38Å; T141-H143 VanDerWaalsContact C-N 3.3Å; H143-L145 VanDerWaalsContact C-N 3.27Å; H143-L145 PolarHBondContact ND1-N 3.17Å; H143-L145 VanDerWaalsContact ND1-N 3.15Å; H143-L145 PolarHBondContact O-N 3.16Å; H143-L145 VanDerWaalsContact O-N 3.12Å; H143-V146 HydrophobicContact CB-CB 4.41Å; H143-V146 HydrophobicContact CB-CG2 4.03Å; H143-V146 WeakPolarHBondContact O-CB 3.47Å; H143-V146 PolarHBondContact O-N 3.5Å
144E94.4Very high95.1Very high188 Ų18867.8 Ų67.888%0.87936%0.362SS*.THydrogen-bonded Turntrans-53.3-39.3-175.8-176-178.217700113.9V146E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 2.8Å
145L94.6Very high95.2Very high144 Ų14471.1 Ų71.175%0.75437%0.366SS*.THydrogen-bonded Turntrans-76.4-8.2178.6-57.3179.8000114.4H143 P147H143-L145 VanDerWaalsContact C-N 3.27Å; H143-L145 PolarHBondContact ND1-N 3.17Å; H143-L145 VanDerWaalsContact ND1-N 3.15Å; H143-L145 PolarHBondContact O-N 3.16Å; H143-L145 VanDerWaalsContact O-N 3.12Å; L145-P147 WeakPolarHBondContact O-CD 3.5Å
146V95.5Very high95.3Very high38 Ų3871.9 Ų71.923%0.2337%0.37CS..SBendtrans-96111.6-179.6178.40000108.7V140 H143 E144 V180V140-V146 WeakPolarHBondContact O-CB 3.26Å; V140-V146 VanDerWaalsContact O-CG2 3.26Å; V140-V146 WeakPolarHBondContact O-CG2 3.41Å; H143-V146 HydrophobicContact CB-CB 4.41Å; H143-V146 HydrophobicContact CB-CG2 4.03Å; H143-V146 WeakPolarHBondContact O-CB 3.47Å; H143-V146 PolarHBondContact O-N 3.5Å; E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 2.8Å; V146-V180 HydrophobicContact CG1-CG2 4.02Å
147P96.4Very high95.3Very high36 Ų3672.9 Ų72.923%0.23437%0.374CS..  trans-71.9168.8178.329.6-34.8000111.9L145 H149 I194 I195 R196L145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-H149 PolarHBondContact O-CE1 3.47Å; P147-H149 VanDerWaalsContact O-CE1 3.3Å; P147-H149 PolarHBondContact O-N 2.95Å; P147-H149 PolarHBondContact O-ND1 3.24Å; P147-I194 HydrophobicContact CB-CG2 3.87Å; P147-I194 HydrophobicContact CG-CG2 3.43Å; P147-I194 VanDerWaalsContact CG-CG2 3.43Å; P147-I195 VanDerWaalsContact CB-O 3.3Å; P147-I195 WeakPolarHBondContact CB-O 3.31Å; P147-R196 HydrophobicContact CB-CB 4.49Å; P147-R196 HydrophobicContact CB-CG 3.72Å; P147-R196 HydrophobicContact CG-CG 4.11Å
148E95.8Very high95.4Very high118 Ų11874 Ų7455%0.55138%0.383SS*.EExtended strand (participates in β ladder)trans-67.8132.6174.2-173.4-171.6163.900110.5V150 I194 I195E148-V150 HydrophobicContact CG-CG2 4.47Å; E148-I194 WeakPolarHBondContact O-CA 3.3Å; E148-I195 HydrophobicContact CB-CB 4.32Å; E148-I195 PolarHBondContact N-O 3.02Å; E148-I195 PolarHBondContact O-N 3.13Å
149H97.3Very high95.5Very high19 Ų1974.1 Ų74.19%0.08838%0.381CS..EExtended strand (participates in β ladder)trans-119.2127.5178.6-70.177.7000109.7P147 V180 Y184 V192 K193P147-H149 PolarHBondContact O-CE1 3.47Å; P147-H149 VanDerWaalsContact O-CE1 3.3Å; P147-H149 PolarHBondContact O-N 2.95Å; P147-H149 PolarHBondContact O-ND1 3.24Å; H149-V180 HydrophobicContact CB-CG1 4.2Å; H149-Y184 HydrophobicContact CB-CD2 4.25Å; H149-Y184 HydrophobicContact CB-CE2 3.66Å; H149-Y184 PolarHBondContact O-OH 2.88Å; H149-V192 HydrophobicContact CB-CG2 3.73Å; H149-K193 CarbonylContact C-O 3.59Å; H149-K193 WeakPolarHBondContact CA-O 2.97Å
150V96Very high95.6Very high52 Ų5274.5 Ų74.532%0.31538%0.383SS..EExtended strand (participates in β ladder)trans-122120.7177.5-178.40000108.5E148 L152 V192 K193 I195E148-V150 HydrophobicContact CG-CG2 4.47Å; V150-L152 PolarHBondContact O-N 3.19Å; V150-V192 WeakPolarHBondContact O-CA 3.31Å; V150-V192 WeakPolarHBondContact O-CG2 2.85Å; V150-K193 HydrophobicContact CB-CB 4.37Å; V150-K193 PolarHBondContact N-O 2.93Å; V150-K193 PolarHBondContact O-N 2.84Å; V150-I195 HydrophobicContact CG2-CD1 4.46Å
151V95.9Very high95.7Very high50 Ų5073.5 Ų73.530%0.30338%0.376SS..EExtended strand (participates in β ladder)trans-73.8123.9176.6-171.10000108.6Y184 L186V151-Y184 HydrophobicContact CG2-CD1 4.16Å; V151-Y184 HydrophobicContact CG2-CG 4.17Å; V151-L186 HydrophobicContact CB-CD2 4.33Å; V151-L186 HydrophobicContact CG1-CD2 3.78Å; V151-L186 HydrophobicContact CG2-CD2 3.65Å
152L95.7Very high95.8Very high17 Ų1778.4 Ų78.49%0.08940%0.397CS..PPolyproline II helixtrans-79.1143.6178.9-61.5-174.2000111.3V150 E156 L160 V191 K193 Y207V150-L152 PolarHBondContact O-N 3.19Å; L152-E156 WeakPolarHBondContact CA-OE2 3.47Å; L152-E156 HydrophobicContact CB-CB 4.09Å; L152-E156 HydrophobicContact CD2-CB 4.3Å; L152-L160 HydrophobicContact CD1-CD2 3.96Å; L152-V191 WeakPolarHBondContact CB-O 3.5Å; L152-V191 HydrophobicContact CD1-CB 4.25Å; L152-V191 HydrophobicContact CD1-CG1 3.8Å; L152-V191 HydrophobicContact CG-CG1 4.49Å; L152-V191 PolarHBondContact N-O 3.41Å; L152-K193 HydrophobicContact CD2-CB 3.86Å; L152-K193 HydrophobicContact CD2-CD 4.42Å; L152-K193 HydrophobicContact CG-CB 4.28Å; L152-Y207 HydrophobicContact CD1-CD1 3.97Å; L152-Y207 HydrophobicContact CD1-CE1 4.06Å
153S94.4Very high95.9Very high45 Ų4582 Ų8232%0.31541%0.406SS..PPolyproline II helixtrans-65.4166.1166.597.80000111.1E155 E156 K157S153-E155 WeakPolarHBondContact CB-OE2 3.24Å; S153-E155 PolarHBondContact O-N 3.33Å; S153-E155 PolarHBondContact OG-N 2.84Å; S153-E155 PolarHBondContact OG-OE2 3.05Å; S153-E156 PolarHBondContact N-OE2 2.59Å; S153-E156 PolarHBondContact O-N 3.13Å; S153-E156 PolarHBondContact OG-N 2.94Å; S153-E156 VanDerWaalsContact OG-N 3.14Å; S153-K157 WeakPolarHBondContact O-CB 3.16Å; S153-K157 PolarHBondContact O-N 3.39Å
154N94.1Very high95.9Very high112 Ų11283.2 Ų83.260%0.59941%0.407SS*.Hα-helixtrans-63.6-36.2175.9-71.9-34.1000111.4K157 V158N154-K157 PolarHBondContact O-N 2.86Å; N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.11Å; N154-V158 PolarHBondContact O-N 2.93Å
155E95.9Very high96Very high135 Ų13583.5 Ų83.563%0.63141%0.406SS*.Hα-helixtrans-66.5-48.8177.9-58.368.7-147.100110.6S153 K157 V158 E159S153-E155 WeakPolarHBondContact CB-OE2 3.24Å; S153-E155 PolarHBondContact O-N 3.33Å; S153-E155 PolarHBondContact OG-N 2.84Å; S153-E155 PolarHBondContact OG-OE2 3.05Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.23Å; E155-V158 PolarHBondContact O-N 3.16Å; E155-V158 VanDerWaalsContact O-N 3.13Å; E155-E159 PolarHBondContact O-N 3.23Å
156E96.4Very high96Very high90 Ų9079.1 Ų79.142%0.42138%0.383SS..Hα-helixtrans-61.8-38.3176.5-67.3-179.6127.300111.9L152 S153 E159 L160L152-E156 WeakPolarHBondContact CA-OE2 3.47Å; L152-E156 HydrophobicContact CB-CB 4.09Å; L152-E156 HydrophobicContact CD2-CB 4.3Å; S153-E156 PolarHBondContact N-OE2 2.59Å; S153-E156 PolarHBondContact O-N 3.13Å; S153-E156 PolarHBondContact OG-N 2.94Å; S153-E156 VanDerWaalsContact OG-N 3.14Å; E156-E159 PolarHBondContact O-N 3.33Å; E156-L160 VanDerWaalsContact O-CB 3.31Å; E156-L160 WeakPolarHBondContact O-CB 3.35Å; E156-L160 PolarHBondContact O-N 3.16Å
157K96.3Very high95.9Very high26 Ų2683 Ų8311%0.11340%0.402CS..Hα-helixtrans-61.1-45.4173.5174.6-175.5172.6-172.80111.1S153 N154 E155 L160 L161 E168 G189 V191S153-K157 WeakPolarHBondContact O-CB 3.16Å; S153-K157 PolarHBondContact O-N 3.39Å; N154-K157 PolarHBondContact O-N 2.86Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.23Å; K157-L160 WeakPolarHBondContact O-CB 3.5Å; K157-L160 PolarHBondContact O-N 2.87Å; K157-L161 HydrophobicContact CG-CD1 4.19Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.36Å; K157-L161 PolarHBondContact O-N 2.9Å; K157-L161 VanDerWaalsContact O-N 3.08Å; K157-E168 WeakPolarHBondContact CE-OE1 3.36Å; K157-E168 IonicContact NZ-OE1 2.97Å; K157-E168 PolarHBondContact NZ-OE1 3.4Å; K157-E168 IonicContact NZ-OE2 3.1Å; K157-E168 PolarHBondContact NZ-OE2 3.37Å; K157-G189 WeakPolarHBondContact CE-O 3.48Å; K157-G189 PolarHBondContact NZ-O 3.42Å; K157-V191 HydrophobicContact CD-CG2 3.89Å; K157-V191 HydrophobicContact CG-CB 4.43Å; K157-V191 HydrophobicContact CG-CG2 3.88Å
158V96.5Very high95.8Very high75 Ų7585.3 Ų85.346%0.45541%0.409SS..Hα-helixtrans-63.3-45.1178.1169.50000110.6N154 E155 L160 L161 Q162N154-V158 VanDerWaalsContact O-CG2 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.11Å; N154-V158 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 3.16Å; E155-V158 VanDerWaalsContact O-N 3.13Å; V158-L160 VanDerWaalsContact C-N 3.35Å; V158-L160 PolarHBondContact O-N 2.92Å; V158-L161 PolarHBondContact O-N 3.24Å; V158-Q162 HydrophobicContact CG1-CG 4.43Å; V158-Q162 WeakPolarHBondContact O-CB 3.48Å; V158-Q162 VanDerWaalsContact O-CG 3.28Å; V158-Q162 WeakPolarHBondContact O-CG 3.47Å; V158-Q162 PolarHBondContact O-N 3.2Å
159E97Very high95.7Very high123 Ų12383.5 Ų83.558%0.57541%0.41SS*.Hα-helixtrans-59.5-44.8176.5-170.3-170.7153.500111.7E155 E156 L161 Q162 R163E155-E159 PolarHBondContact O-N 3.23Å; E156-E159 PolarHBondContact O-N 3.33Å; E159-L161 PolarHBondContact O-N 3.12Å; E159-Q162 PolarHBondContact O-N 3.5Å; E159-R163 VanDerWaalsContact O-CB 3.3Å; E159-R163 WeakPolarHBondContact O-CB 3.45Å; E159-R163 PolarHBondContact O-N 3.03Å
160L96.3Very high95.6Very high11 Ų1190 Ų906%0.05844%0.438CS..Hα-helixtrans-56.7-51.2177.2175.870.8000111.6L152 E156 K157 V158 Q162 R163 Y164 V191 Y207L152-L160 HydrophobicContact CD1-CD2 3.96Å; E156-L160 VanDerWaalsContact O-CB 3.31Å; E156-L160 WeakPolarHBondContact O-CB 3.35Å; E156-L160 PolarHBondContact O-N 3.16Å; K157-L160 WeakPolarHBondContact O-CB 3.5Å; K157-L160 PolarHBondContact O-N 2.87Å; V158-L160 VanDerWaalsContact C-N 3.35Å; V158-L160 PolarHBondContact O-N 2.92Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-Q162 PolarHBondContact O-N 3.5Å; L160-R163 PolarHBondContact O-N 3.46Å; L160-Y164 HydrophobicContact CD1-CD2 3.65Å; L160-Y164 HydrophobicContact CD1-CE2 3.54Å; L160-Y164 HydrophobicContact CG-CD2 4.4Å; L160-Y164 WeakPolarHBondContact O-CD2 3.4Å; L160-Y164 PolarHBondContact O-N 3.45Å; L160-V191 HydrophobicContact CD2-CG1 3.96Å; L160-Y207 HydrophobicContact CD1-CD1 4.02Å; L160-Y207 HydrophobicContact CD1-CD2 3.75Å; L160-Y207 HydrophobicContact CD1-CE1 3.77Å; L160-Y207 HydrophobicContact CD1-CE2 3.53Å; L160-Y207 HydrophobicContact CD1-CG 3.99Å; L160-Y207 HydrophobicContact CD2-CD1 3.56Å; L160-Y207 HydrophobicContact CD2-CD2 4.25Å; L160-Y207 HydrophobicContact CD2-CE1 4.03Å; L160-Y207 HydrophobicContact CD2-CG 3.66Å; L160-Y207 HydrophobicContact CG-CD1 4.45Å; L160-Y207 HydrophobicContact CG-CG 4.48Å
161L96.5Very high95.6Very high26 Ų2688 Ų8814%0.13643%0.426CS..Hα-helixtrans-63.4-40.1-178.4-66.8173.2000111.3K157 V158 E159 K165 I166 E168 L171K157-L161 HydrophobicContact CG-CD1 4.19Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.36Å; K157-L161 PolarHBondContact O-N 2.9Å; K157-L161 VanDerWaalsContact O-N 3.08Å; V158-L161 PolarHBondContact O-N 3.24Å; E159-L161 PolarHBondContact O-N 3.12Å; L161-K165 WeakPolarHBondContact O-CA 3.31Å; L161-K165 PolarHBondContact O-N 2.89Å; L161-I166 HydrophobicContact CD2-CG1 4.03Å; L161-I166 PolarHBondContact O-N 3.35Å; L161-I166 VanDerWaalsContact O-N 3.12Å; L161-E168 HydrophobicContact CD1-CG 3.68Å; L161-E168 HydrophobicContact CD2-CG 4.33Å; L161-L171 HydrophobicContact CD2-CD1 4Å; L161-L171 HydrophobicContact CD2-CG 4.41Å
162Q96.4Very high95.6Very high136 Ų13689 Ų8964%0.63643%0.433SS*.Hα-helixtrans-65.2-46.7175.9-72.9177.34.500112.1V158 E159 L160 Y164 K165V158-Q162 HydrophobicContact CG1-CG 4.43Å; V158-Q162 WeakPolarHBondContact O-CB 3.48Å; V158-Q162 VanDerWaalsContact O-CG 3.28Å; V158-Q162 WeakPolarHBondContact O-CG 3.47Å; V158-Q162 PolarHBondContact O-N 3.2Å; E159-Q162 PolarHBondContact O-N 3.5Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-Q162 PolarHBondContact O-N 3.5Å; Q162-Y164 VanDerWaalsContact C-N 3.32Å; Q162-Y164 PolarHBondContact O-N 3.17Å; Q162-K165 PolarHBondContact O-N 2.77Å; Q162-K165 VanDerWaalsContact O-N 3.13Å
163R96.7Very high95.7Very high181 Ų18196.1 Ų96.168%0.68346%0.458SS*.Hα-helixtrans-58.3-43-178.9-178.8176178.6174.2-0.2112.3E159 L160E159-R163 VanDerWaalsContact O-CB 3.3Å; E159-R163 WeakPolarHBondContact O-CB 3.45Å; E159-R163 PolarHBondContact O-N 3.03Å; L160-R163 PolarHBondContact O-N 3.46Å
164Y95.9Very high95.9Very high126 Ų12694.2 Ų94.249%0.49445%0.445SS..Hα-helixtrans-90-5.9179.2-71.7-75.2000113.8L160 Q162 I166 Y207L160-Y164 HydrophobicContact CD1-CD2 3.65Å; L160-Y164 HydrophobicContact CD1-CE2 3.54Å; L160-Y164 HydrophobicContact CG-CD2 4.4Å; L160-Y164 WeakPolarHBondContact O-CD2 3.4Å; L160-Y164 PolarHBondContact O-N 3.45Å; Q162-Y164 VanDerWaalsContact C-N 3.32Å; Q162-Y164 PolarHBondContact O-N 3.17Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 WeakPolarHBondContact O-CG2 3.47Å; Y164-I166 PolarHBondContact O-N 2.9Å; Y164-Y207 HydrophobicContact CE2-CE2 4.35Å
165K96.1Very high96Very high194 Ų19495 Ų9584%0.84345%0.445SS*.THydrogen-bonded Turntrans52.744.1-175.3-55.8-178.4-179.1-179.10112.3L161 Q162L161-K165 WeakPolarHBondContact O-CA 3.31Å; L161-K165 PolarHBondContact O-N 2.89Å; Q162-K165 PolarHBondContact O-N 2.77Å; Q162-K165 VanDerWaalsContact O-N 3.13Å
166I95.6Very high96Very high52 Ų5290.7 Ų90.727%0.26743%0.428SS..  trans-120.2157.5-179.161.1177.1000111.4L161 Y164 K170 L171L161-I166 HydrophobicContact CD2-CG1 4.03Å; L161-I166 PolarHBondContact O-N 3.35Å; L161-I166 VanDerWaalsContact O-N 3.12Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 WeakPolarHBondContact O-CG2 3.47Å; Y164-I166 PolarHBondContact O-N 2.9Å; I166-K170 HydrophobicContact CB-CB 4.25Å; I166-L171 HydrophobicContact CD1-CD2 3.69Å; I166-L171 HydrophobicContact CD1-CG 4.28Å
167N93.3Very high95.9Very high119 Ų11990 Ų9064%0.63643%0.433SS*.  trans-93158.3170.2-62.1-18.6000110.2S169 K170N167-S169 PolarHBondContact O-N 3.29Å; N167-S169 VanDerWaalsContact O-N 3.08Å; N167-K170 WeakPolarHBondContact O-CB 3.47Å; N167-K170 PolarHBondContact O-N 3.13Å
168E92.7Very high95.9Very high84 Ų8491.3 Ų91.339%0.39344%0.441SS..G310 helixtrans-52.7-34.7178.2-63.6-176-163.900113.3K157 L161 K170 L171K157-E168 WeakPolarHBondContact CE-OE1 3.36Å; K157-E168 IonicContact NZ-OE1 2.97Å; K157-E168 PolarHBondContact NZ-OE1 3.4Å; K157-E168 IonicContact NZ-OE2 3.1Å; K157-E168 PolarHBondContact NZ-OE2 3.37Å; L161-E168 HydrophobicContact CD1-CG 3.68Å; L161-E168 HydrophobicContact CD2-CG 4.33Å; E168-K170 PolarHBondContact O-N 3.23Å; E168-K170 VanDerWaalsContact O-N 3.15Å; E168-L171 WeakPolarHBondContact O-CB 3.42Å; E168-L171 PolarHBondContact O-N 2.76Å; E168-L171 VanDerWaalsContact O-N 3.07Å
169S93.8Very high95.9Very high80 Ų8091.6 Ų91.656%0.55944%0.444SS*.G310 helixtrans-64.4-17.1178.960.80000114.6N167N167-S169 PolarHBondContact O-N 3.29Å; N167-S169 VanDerWaalsContact O-N 3.08Å
170K95.3Very high95.9Very high155 Ų15586.3 Ų86.367%0.67442%0.421SS*.G310 helixtrans-90.9-11.9177.1-59.8-60.6-174.2178.10112.8I166 N167 E168I166-K170 HydrophobicContact CB-CB 4.25Å; N167-K170 WeakPolarHBondContact O-CB 3.47Å; N167-K170 PolarHBondContact O-N 3.13Å; E168-K170 PolarHBondContact O-N 3.23Å; E168-K170 VanDerWaalsContact O-N 3.15Å
171L95.9Very high95.9Very high11 Ų1185.8 Ų85.86%0.05842%0.418CS..SBendtrans-70.9138.9172.7-68.8173.8000109.8L161 I166 E168 V191 V209L161-L171 HydrophobicContact CD2-CD1 4Å; L161-L171 HydrophobicContact CD2-CG 4.41Å; I166-L171 HydrophobicContact CD1-CD2 3.69Å; I166-L171 HydrophobicContact CD1-CG 4.28Å; E168-L171 WeakPolarHBondContact O-CB 3.42Å; E168-L171 PolarHBondContact O-N 2.76Å; E168-L171 VanDerWaalsContact O-N 3.07Å; L171-V191 HydrophobicContact CD1-CG1 4.24Å; L171-V191 HydrophobicContact CD1-CG2 3.76Å; L171-V209 HydrophobicContact CB-CB 4.12Å; L171-V209 HydrophobicContact CB-CG1 3.89Å; L171-V209 HydrophobicContact CD1-CB 4.25Å
172P97.4Very high95.9Very high70 Ų7087.9 Ų87.946%0.45542%0.424SS..PPolyproline II helixtrans-55.3150.5167.1-21.331.8000110.7R208 V209P172-R208 HydrophobicContact CB-CG 4.26Å; P172-R208 CarbonylContact O-C 3.25Å; P172-R208 WeakPolarHBondContact O-CA 3.39Å; P172-V209 PolarHBondContact O-N 3.01Å
173R97.6Very high95.9Very high167 Ų16781.7 Ų81.763%0.6340%0.395SS*.EExtended strand (participates in β ladder)trans-102.5148.1-171-61.4176.1-172.8176.81.9111.9V209 V211R173-V209 CarbonylContact C-O 3.59Å; R173-V209 WeakPolarHBondContact CA-O 3.35Å; R173-V209 HydrophobicContact CG-CG1 4.16Å; R173-V211 HydrophobicContact CB-CG1 4.36Å; R173-V211 HydrophobicContact CB-CG2 3.91Å; R173-V211 HydrophobicContact CG-CG1 4.08Å; R173-V211 HydrophobicContact CG-CG2 4.38Å
174I97.7Very high95.9Very high6 Ų675 Ų753%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-123134.4164.6-174.1170.4000107.8D178 A181 L186 V192 R208 V209 A210 V211I174-D178 HydrophobicContact CD1-CB 4.17Å; I174-D178 HydrophobicContact CG1-CB 3.82Å; I174-A181 HydrophobicContact CD1-CB 4.11Å; I174-A181 HydrophobicContact CG1-CB 4.27Å; I174-L186 HydrophobicContact CG2-CD1 4.39Å; I174-V192 HydrophobicContact CG2-CG1 4.28Å; I174-R208 HydrophobicContact CB-CB 4.1Å; I174-R208 HydrophobicContact CG2-CB 4.01Å; I174-V209 PolarHBondContact N-O 2.92Å; I174-A210 HydrophobicContact CG2-CB 4.19Å; I174-A210 CarbonylContact O-C 3.23Å; I174-A210 VanDerWaalsContact O-CA 3.3Å; I174-A210 WeakPolarHBondContact O-CA 3.19Å; I174-V211 PolarHBondContact O-N 3.34Å
175Q97.4Very high95.8Very high128 Ų12869.8 Ų69.860%0.59835%0.354SS*.  trans-73.6141.4178.3-67.6-178-23.200109.7S177 D178 A181 V211Q175-S177 PolarHBondContact O-N 3.49Å; Q175-S177 VanDerWaalsContact O-N 3.13Å; Q175-S177 PolarHBondContact OE1-OG 2.89Å; Q175-D178 WeakPolarHBondContact O-CB 3.28Å; Q175-D178 PolarHBondContact O-N 3.33Å; Q175-A181 VanDerWaalsContact O-CB 3.24Å; Q175-A181 WeakPolarHBondContact O-CB 2.99Å; Q175-V211 CarbonylContact C-O 3.57Å; Q175-V211 WeakPolarHBondContact CA-O 3.28Å
176V95.3Very high95.8Very high45 Ų4561.1 Ų61.127%0.27332%0.317SS..THydrogen-bonded Turntrans-61.2-18.8171.5-66.90000113.1R182 R188 A210 V211V176-R182 WeakPolarHBondContact O-CG 3.33Å; V176-R188 HydrophobicContact CG1-CG 3.91Å; V176-A210 HydrophobicContact CG1-CB 4.28Å; V176-V211 PolarHBondContact N-O 2.92Å
177S94.9Very high95.7Very high75 Ų7562.5 Ų62.552%0.52432%0.321SS..THydrogen-bonded Turntrans-84.8-7.4173.954.50000114.2Q175Q175-S177 PolarHBondContact O-N 3.49Å; Q175-S177 VanDerWaalsContact O-N 3.13Å; Q175-S177 PolarHBondContact OE1-OG 2.89Å
178D96.6Very high95.7Very high53 Ų5366 Ų6628%0.28333%0.326SS..SBendtrans-58.8136.6175.3-175.3-66.6000109.6I174 Q175 V180 A181 R182I174-D178 HydrophobicContact CD1-CB 4.17Å; I174-D178 HydrophobicContact CG1-CB 3.82Å; Q175-D178 WeakPolarHBondContact O-CB 3.28Å; Q175-D178 PolarHBondContact O-N 3.33Å; D178-V180 PolarHBondContact O-N 3.44Å; D178-V180 PolarHBondContact OD1-N 3.15Å; D178-A181 HydrophobicContact CB-CB 3.84Å; D178-A181 WeakPolarHBondContact O-CB 3.4Å; D178-A181 PolarHBondContact O-N 2.77Å; D178-R182 PolarHBondContact O-N 3.12Å
179P95.7Very high95.9Very high81 Ų8163 Ų6353%0.52632%0.318SS..Hα-helixtrans-52.8-39.7-179.1-28.435.7000113.9Y183P179-Y183 WeakPolarHBondContact O-CB 3.47Å; P179-Y183 PolarHBondContact O-N 2.84Å
180V96.3Very high96Very high13 Ų1362 Ų628%0.07930%0.304CS..Hα-helixtrans-73.8-38.5178.4179.40000110.5V146 H149 D178 R182 Y183 Y184V146-V180 HydrophobicContact CG1-CG2 4.02Å; H149-V180 HydrophobicContact CB-CG1 4.2Å; D178-V180 PolarHBondContact O-N 3.44Å; D178-V180 PolarHBondContact OD1-N 3.15Å; V180-R182 VanDerWaalsContact C-N 3.32Å; V180-R182 PolarHBondContact O-N 3.13Å; V180-Y183 WeakPolarHBondContact O-CB 3.3Å; V180-Y183 PolarHBondContact O-N 3.31Å; V180-Y184 HydrophobicContact CG1-CD2 3.79Å; V180-Y184 HydrophobicContact CG1-CE2 3.82Å; V180-Y184 WeakPolarHBondContact O-CD2 3.39Å; V180-Y184 PolarHBondContact O-N 3.3Å
181A96.9Very high96.1Very high0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-61.9-41.8174.700000111.7I174 Q175 D178 G185 L186I174-A181 HydrophobicContact CD1-CB 4.11Å; I174-A181 HydrophobicContact CG1-CB 4.27Å; Q175-A181 VanDerWaalsContact O-CB 3.24Å; Q175-A181 WeakPolarHBondContact O-CB 2.99Å; D178-A181 HydrophobicContact CB-CB 3.84Å; D178-A181 WeakPolarHBondContact O-CB 3.4Å; D178-A181 PolarHBondContact O-N 2.77Å; A181-G185 PolarHBondContact O-N 2.8Å; A181-G185 VanDerWaalsContact O-N 3.1Å; A181-L186 HydrophobicContact CB-CB 4.15Å; A181-L186 HydrophobicContact CB-CD1 3.87Å; A181-L186 HydrophobicContact CB-CG 4.3Å; A181-L186 PolarHBondContact O-N 3.37Å
182R96.3Very high96.2Very high69 Ų6954.2 Ų54.226%0.2627%0.27SS..Hα-helixtrans-64.1-45172.5-72.4-178.862.3-154.3-6.7111.3R25 F130 F131 E135 V176 D178 V180 Y184 G185R25-R182 PolarHBondContact NH2-O 2.96Å; F130-R182 PolarHBondContact O-NH2 3.36Å; F131-R182 HydrophobicContact CE1-CB 4.16Å; F131-R182 HydrophobicContact CZ-CB 4.27Å; F131-R182 WeakPolarHBondContact CZ-O 3.4Å; E135-R182 IonicContact OE1-CZ 3.22Å; E135-R182 IonicContact OE1-NH1 3.3Å; E135-R182 PolarHBondContact OE1-NH1 3.01Å; E135-R182 IonicContact OE1-NH2 2.77Å; E135-R182 IonicContact OE2-CZ 2.73Å; E135-R182 IonicContact OE2-NH1 2.81Å; E135-R182 PolarHBondContact OE2-NH1 3.17Å; E135-R182 IonicContact OE2-NH2 3.29Å; E135-R182 PolarHBondContact OE2-NH2 3.12Å; V176-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.12Å; V180-R182 VanDerWaalsContact C-N 3.32Å; V180-R182 PolarHBondContact O-N 3.13Å; R182-Y184 VanDerWaalsContact C-N 3.32Å; R182-Y184 PolarHBondContact O-N 3.45Å; R182-G185 PolarHBondContact O-N 3.32Å
183Y96.9Very high96.2Very high7 Ų754 Ų543%0.02726%0.262CS..Hα-helixtrans-54.2-46.7178.7-176.8-89.3000112.1M21 D24 R25 N139 V140 T141 P179 V180 G185M21-Y183 WeakPolarHBondContact CA-OH 3.31Å; M21-Y183 HydrophobicContact CB-CD2 4.16Å; M21-Y183 HydrophobicContact CB-CE1 4.44Å; M21-Y183 HydrophobicContact CB-CE2 3.6Å; M21-Y183 HydrophobicContact CG-CD1 4.4Å; M21-Y183 HydrophobicContact CG-CD2 3.92Å; M21-Y183 HydrophobicContact CG-CE1 4.34Å; M21-Y183 HydrophobicContact CG-CE2 3.86Å; M21-Y183 HydrophobicContact CG-CG 4.21Å; M21-Y183 VanDerWaalsContact CG-O 3.31Å; M21-Y183 WeakPolarHBondContact CG-O 3.4Å; M21-Y183 PolarHBondContact N-OH 3.39Å; M21-Y183 HydrophobicContact SD-CD2 4.21Å; D24-Y183 HydrophobicContact CB-CE1 3.89Å; D24-Y183 WeakPolarHBondContact OD2-CE1 3.41Å; D24-Y183 PolarHBondContact OD2-OH 3.45Å; R25-Y183 PolarHBondContact NE-O 3.08Å; R25-Y183 PolarHBondContact NH2-O 3.46Å; N139-Y183 PolarHBondContact ND2-OH 2.99Å; N139-Y183 VanDerWaalsContact ND2-OH 3.16Å; N139-Y183 WeakPolarHBondContact OD1-CE2 3.39Å; V140-Y183 HydrophobicContact CG2-CD2 4.49Å; T141-Y183 HydrophobicContact CG2-CD1 3.57Å; T141-Y183 HydrophobicContact CG2-CD2 4.29Å; T141-Y183 HydrophobicContact CG2-CE1 3.48Å; T141-Y183 VanDerWaalsContact CG2-CE1 3.48Å; T141-Y183 HydrophobicContact CG2-CE2 4.21Å; T141-Y183 HydrophobicContact CG2-CG 3.98Å; P179-Y183 WeakPolarHBondContact O-CB 3.47Å; P179-Y183 PolarHBondContact O-N 2.84Å; V180-Y183 WeakPolarHBondContact O-CB 3.3Å; V180-Y183 PolarHBondContact O-N 3.31Å; Y183-G185 VanDerWaalsContact C-N 3.33Å; Y183-G185 PolarHBondContact O-N 3.35Å
184Y96.1Very high96.2Very high40 Ų4046.1 Ų46.116%0.15723%0.232CC..THydrogen-bonded Turntrans-84-1.1177.3-72.1-75.9000114.6D24 T141 H149 V151 V180 R182 L186D24-Y184 HydrophobicContact CB-CE1 4.11Å; T141-Y184 HydrophobicContact CG2-CE2 4.22Å; H149-Y184 HydrophobicContact CB-CD2 4.25Å; H149-Y184 HydrophobicContact CB-CE2 3.66Å; H149-Y184 PolarHBondContact O-OH 2.88Å; V151-Y184 HydrophobicContact CG2-CD1 4.16Å; V151-Y184 HydrophobicContact CG2-CG 4.17Å; V180-Y184 HydrophobicContact CG1-CD2 3.79Å; V180-Y184 HydrophobicContact CG1-CE2 3.82Å; V180-Y184 WeakPolarHBondContact O-CD2 3.39Å; V180-Y184 PolarHBondContact O-N 3.3Å; R182-Y184 VanDerWaalsContact C-N 3.32Å; R182-Y184 PolarHBondContact O-N 3.45Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-L186 PolarHBondContact O-N 3.39Å
185G94.6Very high96.1Very high16 Ų1647.3 Ų47.317%0.16524%0.238CC..THydrogen-bonded Turntrans65.833.6-178.800000113.6A181 R182 Y183 K187A181-G185 PolarHBondContact O-N 2.8Å; A181-G185 VanDerWaalsContact O-N 3.1Å; R182-G185 PolarHBondContact O-N 3.32Å; Y183-G185 VanDerWaalsContact C-N 3.33Å; Y183-G185 PolarHBondContact O-N 3.35Å; G185-K187 PolarHBondContact O-N 2.94Å
186L95.1Very high96Very high13 Ų1345.6 Ų45.67%0.06823%0.226CC..PPolyproline II helixtrans-61.6128.8-176.9-66.9-174.2000111.9V151 I174 A181 Y184 V192 A210V151-L186 HydrophobicContact CB-CD2 4.33Å; V151-L186 HydrophobicContact CG1-CD2 3.78Å; V151-L186 HydrophobicContact CG2-CD2 3.65Å; I174-L186 HydrophobicContact CG2-CD1 4.39Å; A181-L186 HydrophobicContact CB-CB 4.15Å; A181-L186 HydrophobicContact CB-CD1 3.87Å; A181-L186 HydrophobicContact CB-CG 4.3Å; A181-L186 PolarHBondContact O-N 3.37Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-L186 PolarHBondContact O-N 3.39Å; L186-V192 HydrophobicContact CD1-CB 4.21Å; L186-V192 HydrophobicContact CD1-CG1 4.32Å; L186-A210 HydrophobicContact CB-CB 4.17Å; L186-A210 HydrophobicContact CD1-CB 4.49Å
187K93.6Very high95.9Very high80 Ų8048.3 Ų48.335%0.34825%0.253SS..PPolyproline II helixtrans-97.4153.5173.1-60.9179.3-176.4174.10110.5G185 G189 Q190 A210G185-K187 PolarHBondContact O-N 2.94Å; K187-G189 PolarHBondContact O-N 3.43Å; K187-Q190 HydrophobicContact CB-CG 4.35Å; K187-Q190 WeakPolarHBondContact O-CB 3.39Å; K187-Q190 PolarHBondContact O-N 3.45Å; K187-A210 WeakPolarHBondContact O-CB 3.41Å
188R94.6Very high95.8Very high193 Ų19346.1 Ų46.173%0.72824%0.238SC*.THydrogen-bonded Turntrans-51.7132176.8-70.6-175.1167.3156.34.7111.4V176 Q190 A210 V211V176-R188 HydrophobicContact CG1-CG 3.91Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-A210 WeakPolarHBondContact CA-O 3.3Å; R188-V211 WeakPolarHBondContact CG-OXT 3.18Å; R188-V211 PolarHBondContact NE-OXT 3.48Å
189G95.4Very high95.6Very high22 Ų2253.4 Ų53.423%0.22727%0.27CS..THydrogen-bonded Turntrans86.1-11.7-178.700000115K157 K187 A210K157-G189 WeakPolarHBondContact CE-O 3.48Å; K157-G189 PolarHBondContact NZ-O 3.42Å; K187-G189 PolarHBondContact O-N 3.43Å; G189-A210 PolarHBondContact N-O 2.89Å
190Q96.5Very high95.5Very high59 Ų5956.1 Ų56.128%0.27629%0.286SS..  trans-69.2150.6170.4-68.5-174-60.300110.5K187 R188 V209 A210K187-Q190 HydrophobicContact CB-CG 4.35Å; K187-Q190 WeakPolarHBondContact O-CB 3.39Å; K187-Q190 PolarHBondContact O-N 3.45Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; Q190-V209 WeakPolarHBondContact O-CA 3.43Å; Q190-A210 PolarHBondContact O-N 2.88Å
191V97.2Very high95.2Very high1 Ų158.9 Ų58.91%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-114.2133.5-179.81780000109.1L152 K157 L160 L171 Y207 R208 V209L152-V191 WeakPolarHBondContact CB-O 3.5Å; L152-V191 HydrophobicContact CD1-CB 4.25Å; L152-V191 HydrophobicContact CD1-CG1 3.8Å; L152-V191 HydrophobicContact CG-CG1 4.49Å; L152-V191 PolarHBondContact N-O 3.41Å; K157-V191 HydrophobicContact CD-CG2 3.89Å; K157-V191 HydrophobicContact CG-CB 4.43Å; K157-V191 HydrophobicContact CG-CG2 3.88Å; L160-V191 HydrophobicContact CD2-CG1 3.96Å; L171-V191 HydrophobicContact CD1-CG1 4.24Å; L171-V191 HydrophobicContact CD1-CG2 3.76Å; V191-Y207 HydrophobicContact CG1-CD1 4.45Å; V191-R208 CarbonylContact C-O 3.53Å; V191-R208 VanDerWaalsContact CA-O 3.31Å; V191-R208 WeakPolarHBondContact CA-O 3.34Å; V191-V209 HydrophobicContact CG2-CB 4.26Å; V191-V209 HydrophobicContact CG2-CG2 4.25Å
192V97.5Very high95Very high1 Ų161.1 Ų61.11%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-108.9132.617465.80000109.6H149 V150 I174 L186 I194 Y207 R208H149-V192 HydrophobicContact CB-CG2 3.73Å; V150-V192 WeakPolarHBondContact O-CA 3.31Å; V150-V192 WeakPolarHBondContact O-CG2 2.85Å; I174-V192 HydrophobicContact CG2-CG1 4.28Å; L186-V192 HydrophobicContact CD1-CB 4.21Å; L186-V192 HydrophobicContact CD1-CG1 4.32Å; V192-I194 HydrophobicContact CG1-CD1 4.44Å; V192-I194 HydrophobicContact CG1-CG1 4.28Å; V192-Y207 WeakPolarHBondContact O-CA 3.33Å; V192-R208 HydrophobicContact CG1-CB 3.99Å; V192-R208 PolarHBondContact N-O 3.29Å; V192-R208 PolarHBondContact O-N 3.49Å
193K97.7Very high94.8Very high65 Ų6567.4 Ų67.428%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-88.3129169177.3-174.4177.6-171.50108.4H149 V150 L152 I195 V205 Y207H149-K193 CarbonylContact C-O 3.59Å; H149-K193 WeakPolarHBondContact CA-O 2.97Å; V150-K193 HydrophobicContact CB-CB 4.37Å; V150-K193 PolarHBondContact N-O 2.93Å; V150-K193 PolarHBondContact O-N 2.84Å; L152-K193 HydrophobicContact CD2-CB 3.86Å; L152-K193 HydrophobicContact CD2-CD 4.42Å; L152-K193 HydrophobicContact CG-CB 4.28Å; K193-I195 HydrophobicContact CG-CG1 4.35Å; K193-V205 HydrophobicContact CD-CG1 4.24Å; K193-V205 HydrophobicContact CG-CG1 3.71Å; K193-Y207 HydrophobicContact CB-CD1 3.93Å; K193-Y207 HydrophobicContact CB-CE1 3.78Å; K193-Y207 HydrophobicContact CD-CE1 4.18Å; K193-Y207 HydrophobicContact CG-CD1 4.21Å; K193-Y207 HydrophobicContact CG-CE1 3.69Å
194I97.6Very high94.7Very high2 Ų273.2 Ų73.21%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-115.7120.6-177.4-50.6-177.7000108.1P147 E148 V192 R196 V205 S206 R208P147-I194 HydrophobicContact CB-CG2 3.87Å; P147-I194 HydrophobicContact CG-CG2 3.43Å; P147-I194 VanDerWaalsContact CG-CG2 3.43Å; E148-I194 WeakPolarHBondContact O-CA 3.3Å; V192-I194 HydrophobicContact CG1-CD1 4.44Å; V192-I194 HydrophobicContact CG1-CG1 4.28Å; I194-R196 HydrophobicContact CG2-CG 4.06Å; I194-V205 WeakPolarHBondContact O-CA 3.28Å; I194-S206 PolarHBondContact N-O 2.84Å; I194-S206 PolarHBondContact O-N 3.36Å; I194-R208 HydrophobicContact CD1-CB 4.42Å; I194-R208 HydrophobicContact CD1-CG 3.8Å
195I96.6Very high94.7Very high31 Ų3174.1 Ų74.116%0.15939%0.389CS..EExtended strand (participates in β ladder)trans-108.9118.6-178.1-54.7169.6000108.2P147 E148 V150 K193 V205P147-I195 VanDerWaalsContact CB-O 3.3Å; P147-I195 WeakPolarHBondContact CB-O 3.31Å; E148-I195 HydrophobicContact CB-CB 4.32Å; E148-I195 PolarHBondContact N-O 3.02Å; E148-I195 PolarHBondContact O-N 3.13Å; V150-I195 HydrophobicContact CG2-CD1 4.46Å; K193-I195 HydrophobicContact CG-CG1 4.35Å; I195-V205 HydrophobicContact CG1-CG2 4.44Å
196R95.3Very high94.8Very high92 Ų9274.4 Ų74.435%0.34739%0.388SS..EExtended strand (participates in β ladder)trans-119.4145.2-176.6-52.3-172.2176.9161.9-4.7110.8P147 I194 R203 Y204P147-R196 HydrophobicContact CB-CB 4.49Å; P147-R196 HydrophobicContact CB-CG 3.72Å; P147-R196 HydrophobicContact CG-CG 4.11Å; I194-R196 HydrophobicContact CG2-CG 4.06Å; R196-R203 CarbonylContact O-C 3.56Å; R196-R203 WeakPolarHBondContact O-CA 3.48Å; R196-Y204 PolarHBondContact N-O 2.76Å; R196-Y204 PolarHBondContact O-N 2.83Å
197A92.3Very high94.9Very high101 Ų10175.8 Ų75.884%0.83539%0.393SS*.EExtended strand (participates in β ladder)trans-64.4137.1161.400000109
198S92.4Very high95.1Very high29 Ų2976 Ų7620%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-130.9129178.4174.70000109.2T200 A201 G202S198-T200 PolarHBondContact O-N 3.39Å; S198-T200 PolarHBondContact OG-N 3.3Å; S198-T200 PolarHBondContact OG-OG1 3.19Å; S198-A201 PolarHBondContact OG-N 2.67Å; S198-G202 PolarHBondContact N-O 3.14Å; S198-G202 CarbonylContact O-C 3.46Å; S198-G202 WeakPolarHBondContact O-CA 3.34Å; S198-G202 PolarHBondContact O-N 2.88Å
199E93Very high95.2Very high207 Ų20767.2 Ų67.297%0.96736%0.359SS*.THydrogen-bonded Turntrans-61.8-31.4178.6-63.7-179.1170.100112.3
200T94.3Very high95.3Very high138 Ų13866.2 Ų66.285%0.84735%0.349SS*.THydrogen-bonded Turntrans-94.1-33.2-174.954.50000113.7S198S198-T200 PolarHBondContact O-N 3.39Å; S198-T200 PolarHBondContact OG-N 3.3Å; S198-T200 PolarHBondContact OG-OG1 3.19Å
201A89.4Confident95.3Very high70 Ų7066.5 Ų66.558%0.57936%0.355SS*.THydrogen-bonded Turntrans-114.1-1.6-173.200000113.6S198 R203S198-A201 PolarHBondContact OG-N 2.67Å; A201-R203 PolarHBondContact O-N 2.94Å
202G91.9Very high95.2Very high48 Ų4869.8 Ų69.850%0.49537%0.372SS..EExtended strand (participates in β ladder)trans74.3-58.1-169.100000112.1S198S198-G202 PolarHBondContact N-O 3.14Å; S198-G202 CarbonylContact O-C 3.46Å; S198-G202 WeakPolarHBondContact O-CA 3.34Å; S198-G202 PolarHBondContact O-N 2.88Å
203R92.8Very high95Very high200 Ų20073.4 Ų73.476%0.75539%0.392SS*.EExtended strand (participates in β ladder)trans-131.6135175.8-64.9-176.1-179.5-177.7-1.5111.3R196 A201R196-R203 CarbonylContact O-C 3.56Å; R196-R203 WeakPolarHBondContact O-CA 3.48Å; A201-R203 PolarHBondContact O-N 2.94Å
204Y95.2Very high94.9Very high129 Ų12973.9 Ų73.951%0.50640%0.398SS..EExtended strand (participates in β ladder)trans-118.3126.5174.4-179-99.7000110R196R196-Y204 PolarHBondContact N-O 2.76Å; R196-Y204 PolarHBondContact O-N 2.83Å
205V95.7Very high94.7Very high59 Ų5978.1 Ų78.136%0.35842%0.42SS..EExtended strand (participates in β ladder)trans-107.3128179.3-177.80000109.2K193 I194 I195 Y207K193-V205 HydrophobicContact CD-CG1 4.24Å; K193-V205 HydrophobicContact CG-CG1 3.71Å; I194-V205 WeakPolarHBondContact O-CA 3.28Å; I195-V205 HydrophobicContact CG1-CG2 4.44Å; V205-Y207 HydrophobicContact CG1-CE1 4.41Å; V205-Y207 HydrophobicContact CG1-CE2 4.06Å
206S96.4Very high94.6Very high22 Ų2281.1 Ų81.115%0.15444%0.437CS..EExtended strand (participates in β ladder)trans-127.9162.2174.9-175.80000110.2I194I194-S206 PolarHBondContact N-O 2.84Å; I194-S206 PolarHBondContact O-N 3.36Å
207Y97.6Very high94.6Very high43 Ų4380.3 Ų80.317%0.16944%0.443CS..EExtended strand (participates in β ladder)trans-125.7145.7178.2-57.1-86.4000110.6L152 L160 Y164 V191 V192 K193 V205L152-Y207 HydrophobicContact CD1-CD1 3.97Å; L152-Y207 HydrophobicContact CD1-CE1 4.06Å; L160-Y207 HydrophobicContact CD1-CD1 4.02Å; L160-Y207 HydrophobicContact CD1-CD2 3.75Å; L160-Y207 HydrophobicContact CD1-CE1 3.77Å; L160-Y207 HydrophobicContact CD1-CE2 3.53Å; L160-Y207 HydrophobicContact CD1-CG 3.99Å; L160-Y207 HydrophobicContact CD2-CD1 3.56Å; L160-Y207 HydrophobicContact CD2-CD2 4.25Å; L160-Y207 HydrophobicContact CD2-CE1 4.03Å; L160-Y207 HydrophobicContact CD2-CG 3.66Å; L160-Y207 HydrophobicContact CG-CD1 4.45Å; L160-Y207 HydrophobicContact CG-CG 4.48Å; Y164-Y207 HydrophobicContact CE2-CE2 4.35Å; V191-Y207 HydrophobicContact CG1-CD1 4.45Å; V192-Y207 WeakPolarHBondContact O-CA 3.33Å; K193-Y207 HydrophobicContact CB-CD1 3.93Å; K193-Y207 HydrophobicContact CB-CE1 3.78Å; K193-Y207 HydrophobicContact CD-CE1 4.18Å; K193-Y207 HydrophobicContact CG-CD1 4.21Å; K193-Y207 HydrophobicContact CG-CE1 3.69Å; V205-Y207 HydrophobicContact CG1-CE1 4.41Å; V205-Y207 HydrophobicContact CG1-CE2 4.06Å
208R97.9Very high94.7Very high83 Ų8378.9 Ų78.931%0.31342%0.415SS..EExtended strand (participates in β ladder)trans-135.6143172.6-63.8-166.6171.2-167.6-3.3111.5P172 I174 V191 V192 I194P172-R208 HydrophobicContact CB-CG 4.26Å; P172-R208 CarbonylContact O-C 3.25Å; P172-R208 WeakPolarHBondContact O-CA 3.39Å; I174-R208 HydrophobicContact CB-CB 4.1Å; I174-R208 HydrophobicContact CG2-CB 4.01Å; V191-R208 CarbonylContact C-O 3.53Å; V191-R208 VanDerWaalsContact CA-O 3.31Å; V191-R208 WeakPolarHBondContact CA-O 3.34Å; V192-R208 HydrophobicContact CG1-CB 3.99Å; V192-R208 PolarHBondContact N-O 3.29Å; V192-R208 PolarHBondContact O-N 3.49Å; I194-R208 HydrophobicContact CD1-CB 4.42Å; I194-R208 HydrophobicContact CD1-CG 3.8Å
209V97.5Very high94.9Very high9 Ų982.7 Ų82.76%0.05543%0.431CS..EExtended strand (participates in β ladder)trans-98.8134.2173.964.50000110.8L171 P172 R173 I174 Q190 V191 V211L171-V209 HydrophobicContact CB-CB 4.12Å; L171-V209 HydrophobicContact CB-CG1 3.89Å; L171-V209 HydrophobicContact CD1-CB 4.25Å; P172-V209 PolarHBondContact O-N 3.01Å; R173-V209 CarbonylContact C-O 3.59Å; R173-V209 WeakPolarHBondContact CA-O 3.35Å; R173-V209 HydrophobicContact CG-CG1 4.16Å; I174-V209 PolarHBondContact N-O 2.92Å; Q190-V209 WeakPolarHBondContact O-CA 3.43Å; V191-V209 HydrophobicContact CG2-CB 4.26Å; V191-V209 HydrophobicContact CG2-CG2 4.25Å; V209-V211 HydrophobicContact CG1-CG1 4.5Å
210A97.5Very high95.1Very high1 Ų172.3 Ų72.31%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-75.1131179.100000111.7I174 V176 L186 K187 R188 G189 Q190I174-A210 HydrophobicContact CG2-CB 4.19Å; I174-A210 CarbonylContact O-C 3.23Å; I174-A210 VanDerWaalsContact O-CA 3.3Å; I174-A210 WeakPolarHBondContact O-CA 3.19Å; V176-A210 HydrophobicContact CG1-CB 4.28Å; L186-A210 HydrophobicContact CB-CB 4.17Å; L186-A210 HydrophobicContact CD1-CB 4.49Å; K187-A210 WeakPolarHBondContact O-CB 3.41Å; R188-A210 WeakPolarHBondContact CA-O 3.3Å; G189-A210 PolarHBondContact N-O 2.89Å; Q190-A210 PolarHBondContact O-N 2.88Å
211V94.8Very high95.2Very high66 Ų6666.4 Ų66.440%0.435%0.345SS..  trans-132.30-179-61.20000113.1R173 I174 Q175 V176 R188 V209R173-V211 HydrophobicContact CB-CG1 4.36Å; R173-V211 HydrophobicContact CB-CG2 3.91Å; R173-V211 HydrophobicContact CG-CG1 4.08Å; R173-V211 HydrophobicContact CG-CG2 4.38Å; I174-V211 PolarHBondContact O-N 3.34Å; Q175-V211 CarbonylContact C-O 3.57Å; Q175-V211 WeakPolarHBondContact CA-O 3.28Å; V176-V211 PolarHBondContact N-O 2.92Å; R188-V211 WeakPolarHBondContact CG-OXT 3.18Å; R188-V211 PolarHBondContact NE-OXT 3.48Å; V209-V211 HydrophobicContact CG1-CG1 4.5Å

Retrieved 211 of 211 residues in 163.5 ms (Link to these results)

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