A0A077DAU5_FELCA Loading...

Core-binding factor subunit beta

Forms the heterodimeric complex core-binding factor (CBF) with RUNX family proteins (RUNX1, RUNX2, and RUNX3). RUNX members modulate the transcription of their target genes through recognizing the core consensus binding sequence 5'-TGTGGT-3', or very rarely, 5'-TGCGGT-3', within their regulatory regions via their runt domain, while CBFB is a non-DNA-binding regulatory subunit that allosterically enhances the sequence-specific DNA-binding capacity of RUNX. The heterodimers bind to the core site of a number of enhancers and promoters, including murine leukemia virus, polyomavirus enhancer, T-cell receptor enhancers, LCK, IL3 and GM-CSF promoters. CBF complexes repress ZBTB7B transcription factor during cytotoxic (CD8+) T cell development. They bind to RUNX-binding sequence within the ZBTB7B locus acting as transcriptional silencer and allowing for cytotoxic T cell differentiation.

AlphaFold DB (Q13951), UniProt , Accession A0A077DAU5, Species FELCA (Felis catus, Cat), Gene CBF-beta, Length 182 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
1M46.6Very low81.1Confident229 Ų22986.5 Ų86.5100%1.12844%0.438SS*.  0136.70-76.4179.1-179.800107.9R3M1-R3 PolarHBondContact O-N 3.35Å
2P55.6Low82.2Confident76 Ų7681.3 Ų81.349%0.49441%0.41SS..  trans-60.5133.9178.5-13.626.5000109.6V4 A139P2-V4 VanDerWaalsContact C-N 3.31Å; P2-A139 HydrophobicContact CB-CB 4.06Å
3R76.5Confident83Confident180 Ų18082.1 Ų82.168%0.67941%0.411SS*.SBendtrans-77.6-23.2177.9-66.1-177.9179.6-178.70111.9M1 I102 G105M1-R3 PolarHBondContact O-N 3.35Å; R3-I102 HydrophobicContact CB-CD1 4.09Å; R3-I102 WeakPolarHBondContact O-CG2 3.39Å; R3-G105 WeakPolarHBondContact O-CA 3.19Å
4V85.5Confident83.7Confident10 Ų1084 Ų846%0.06142%0.424CS..SBendtrans-117.2153.8-175.9-64.60000112.1P2 Q8 I102 G105 E135 A139P2-V4 VanDerWaalsContact C-N 3.31Å; V4-Q8 HydrophobicContact CB-CG 4.46Å; V4-I102 HydrophobicContact CG1-CD1 4.05Å; V4-I102 HydrophobicContact CG1-CG1 4.36Å; V4-I102 HydrophobicContact CG1-CG2 4.13Å; V4-G105 CarbonylContact C-O 3.54Å; V4-G105 WeakPolarHBondContact CA-O 3.48Å; V4-G105 WeakPolarHBondContact CB-O 3.39Å; V4-E135 HydrophobicContact CG1-CB 3.72Å; V4-E135 HydrophobicContact CG1-CG 4.47Å; V4-E135 HydrophobicContact CG2-CB 4.13Å; V4-E135 WeakPolarHBondContact CG2-O 3.33Å; V4-A139 HydrophobicContact CG2-CB 3.66Å
5V86.1Confident84.4Confident39 Ų3982.5 Ų82.524%0.23642%0.415CS..  trans-88.8155.5173.5-670000110.9Q8 K11 G105 V106V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.49Å; V5-K11 HydrophobicContact CG2-CD 3.53Å; V5-G105 WeakPolarHBondContact CG2-O 3.36Å; V5-G105 PolarHBondContact N-O 3.48Å; V5-V106 HydrophobicContact CG2-CG2 4.25Å
6P83.7Confident84.9Confident109 Ų10985.3 Ų85.371%0.70843%0.426SS*.SBendtrans-60.2150.9166.5-18.231000111Q8P6-Q8 PolarHBondContact O-N 3.35Å
7D87.9Confident85.3Confident104 Ų10483.4 Ų83.456%0.55641%0.414SS*.SBendtrans5053.1175.7-165.56.5000113.2R9 S10 K11D7-R9 PolarHBondContact O-N 3.34Å; D7-R9 VanDerWaalsContact O-N 3.17Å; D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; D7-S10 VanDerWaalsContact OD1-CB 3.27Å; D7-S10 WeakPolarHBondContact OD1-CB 3.47Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 WeakPolarHBondContact OD2-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.44Å; D7-K11 VanDerWaalsContact O-N 3.13Å
8Q91.8Very high85.8Confident8 Ų878.8 Ų78.84%0.03739%0.391CS..Hα-helixtrans-54.8-35.1-178.3-60.5-177.950.800112.5V4 V5 P6 K11 F12 V106 C107 F127 A132V4-Q8 HydrophobicContact CB-CG 4.46Å; V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.49Å; P6-Q8 PolarHBondContact O-N 3.35Å; Q8-K11 PolarHBondContact O-N 3.44Å; Q8-F12 WeakPolarHBondContact O-CB 3.37Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-V106 HydrophobicContact CB-CG1 4.28Å; Q8-C107 PolarHBondContact OE1-SG 3.33Å; Q8-F127 HydrophobicContact CB-CE2 3.84Å; Q8-F127 HydrophobicContact CB-CZ 4.17Å; Q8-A132 HydrophobicContact CB-CB 4.36Å; Q8-A132 PolarHBondContact NE2-O 3.21Å
9R92.1Very high86.2Confident93 Ų9381.4 Ų81.435%0.35140%0.396SS..Hα-helixtrans-62-52.1178.1178.2-179.7-76.8-86.86.2110.9D7 K11 F12 E13 F127 E129D7-R9 PolarHBondContact O-N 3.34Å; D7-R9 VanDerWaalsContact O-N 3.17Å; R9-K11 VanDerWaalsContact C-N 3.26Å; R9-K11 PolarHBondContact O-N 3.11Å; R9-F12 PolarHBondContact O-N 3.11Å; R9-F12 VanDerWaalsContact O-N 3.16Å; R9-E13 HydrophobicContact CG-CG 4.44Å; R9-E13 VanDerWaalsContact CG-OE1 3.25Å; R9-E13 WeakPolarHBondContact CG-OE1 3.45Å; R9-E13 IonicContact NH1-OE1 3.07Å; R9-E13 PolarHBondContact NH1-OE1 2.96Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.49Å; R9-F127 HydrophobicContact CB-CE1 4.02Å; R9-F127 HydrophobicContact CB-CZ 3.95Å; R9-F127 HydrophobicContact CG-CE1 4.44Å; R9-E129 IonicContact CZ-OE1 3.32Å; R9-E129 IonicContact NE-OE1 2.63Å; R9-E129 IonicContact NH2-OE1 3.84Å; R9-E129 PolarHBondContact NH2-OE1 3.44Å; R9-E129 IonicContact NH2-OE2 2.97Å; R9-E129 PolarHBondContact NH2-OE2 2.97Å
10S93.2Very high86.5Confident43 Ų4382.2 Ų82.230%0.30140%0.398SS..Hα-helixtrans-59.2-40.7177.6-179.60000111.7D7 E13 N14D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; D7-S10 VanDerWaalsContact OD1-CB 3.27Å; D7-S10 WeakPolarHBondContact OD1-CB 3.47Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 WeakPolarHBondContact OD2-CB 3.36Å; S10-E13 PolarHBondContact O-N 3.31Å; S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.48Å; S10-N14 PolarHBondContact O-ND2 3.25Å; S10-N14 PolarHBondContact OG-ND2 2.98Å; S10-N14 VanDerWaalsContact OG-ND2 3.14Å
11K93Very high86.9Confident61 Ų6178.3 Ų78.327%0.26538%0.379SS..Hα-helixtrans-62-46175.6-171.4170.6-178.3178.80112V5 D7 Q8 R9 E13 E15 F18 N104 V106V5-K11 HydrophobicContact CG2-CD 3.53Å; D7-K11 PolarHBondContact O-N 3.44Å; D7-K11 VanDerWaalsContact O-N 3.13Å; Q8-K11 PolarHBondContact O-N 3.44Å; R9-K11 VanDerWaalsContact C-N 3.26Å; R9-K11 PolarHBondContact O-N 3.11Å; K11-E13 VanDerWaalsContact C-N 3.34Å; K11-E13 PolarHBondContact O-N 3.27Å; K11-E15 WeakPolarHBondContact CE-OE2 3.35Å; K11-E15 HydrophobicContact CG-CB 4.45Å; K11-E15 WeakPolarHBondContact CG-OE2 3.32Å; K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.43Å; K11-F18 HydrophobicContact CG-CD2 4.45Å; K11-F18 HydrophobicContact CG-CE2 4.16Å; K11-N104 PolarHBondContact NZ-O 3.01Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.94Å
12F93.9Very high89.1Confident23 Ų2369.6 Ų69.610%0.10134%0.34CS..Hα-helixtrans-61.5-40.8177.6-175.3-95.1000112.8Q8 R9 F18 V106 V108 L125 F127Q8-F12 WeakPolarHBondContact O-CB 3.37Å; Q8-F12 PolarHBondContact O-N 3.21Å; R9-F12 PolarHBondContact O-N 3.11Å; R9-F12 VanDerWaalsContact O-N 3.16Å; F12-F18 HydrophobicContact CD2-CB 3.9Å; F12-F18 AromaticContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CE1 4.4Å; F12-F18 AromaticContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CE2-CB 4.28Å; F12-F18 HydrophobicContact CE2-CD1 4.02Å; F12-F18 HydrophobicContact CE2-CG 4.44Å; F12-F18 HydrophobicContact CG-CB 4.33Å; F12-F18 WeakPolarHBondContact O-CB 3.41Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.13Å; F12-V108 HydrophobicContact CD2-CG1 3.75Å; F12-V108 HydrophobicContact CE2-CG1 3.73Å; F12-L125 HydrophobicContact CE2-CB 4.29Å; F12-F127 HydrophobicContact CB-CD2 3.98Å; F12-F127 HydrophobicContact CD1-CB 3.7Å; F12-F127 HydrophobicContact CD1-CG 4.34Å; F12-F127 HydrophobicContact CD2-CB 4.29Å; F12-F127 HydrophobicContact CD2-CD2 4.36Å; F12-F127 HydrophobicContact CE1-CB 3.76Å; F12-F127 HydrophobicContact CE2-CB 4.34Å; F12-F127 HydrophobicContact CG-CB 3.97Å; F12-F127 HydrophobicContact CG-CD2 4.03Å; F12-F127 HydrophobicContact CG-CG 4.31Å; F12-F127 HydrophobicContact CZ-CB 4.09Å
13E93.6Very high90.9Very high92 Ų9273.8 Ų73.843%0.4335%0.346SS..Hα-helixtrans-79.5-32.5-175.3-70.4174.3-175.100113.2R9 S10 K11 R19R9-E13 HydrophobicContact CG-CG 4.44Å; R9-E13 VanDerWaalsContact CG-OE1 3.25Å; R9-E13 WeakPolarHBondContact CG-OE1 3.45Å; R9-E13 IonicContact NH1-OE1 3.07Å; R9-E13 PolarHBondContact NH1-OE1 2.96Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.49Å; S10-E13 PolarHBondContact O-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.34Å; K11-E13 PolarHBondContact O-N 3.27Å; E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 WeakPolarHBondContact O-CG 3.41Å
14N92.9Very high91.7Very high109 Ų10971.6 Ų71.658%0.58334%0.344SS*.Hα-helixtrans-102.5-27.4-171.9-65.4-55.3000114.1S10 E16S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.48Å; S10-N14 PolarHBondContact O-ND2 3.25Å; S10-N14 PolarHBondContact OG-ND2 2.98Å; S10-N14 VanDerWaalsContact OG-ND2 3.14Å; N14-E16 PolarHBondContact O-N 2.94Å
15E93.5Very high92.1Very high62 Ų6272.2 Ų72.229%0.2935%0.349SS..  trans-74.2127.2-178.5-166.7-179.9160.100110.7K11 F17 F18 R19K11-E15 WeakPolarHBondContact CE-OE2 3.35Å; K11-E15 HydrophobicContact CG-CB 4.45Å; K11-E15 WeakPolarHBondContact CG-OE2 3.32Å; K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.43Å; E15-F17 HydrophobicContact CG-CB 4.17Å; E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.14Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.44Å; E15-F18 PolarHBondContact O-N 2.95Å; E15-F18 VanDerWaalsContact O-N 3.11Å; E15-F18 WeakPolarHBondContact OE2-CE2 2.97Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.8Å
16E92.4Very high92.6Very high127 Ų12774.1 Ų74.159%0.59336%0.355SS*.Hα-helixtrans-56.4-35.4-177.1-171.2-176.7171.500112.4N14 R19 K20N14-E16 PolarHBondContact O-N 2.94Å; E16-R19 PolarHBondContact O-N 3.33Å; E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 WeakPolarHBondContact O-CG 3.44Å; E16-K20 PolarHBondContact O-N 3.5Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 2.75Å; E16-K20 PolarHBondContact OE1-NZ 2.94Å
17F92.4Very high93.3Very high53 Ų5368.9 Ų68.923%0.23232%0.321CS..Hα-helixtrans-56.9-54.2175.8176.5-102000112E15 K20 L21 T62 L103E15-F17 HydrophobicContact CG-CB 4.17Å; E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.14Å; F17-K20 PolarHBondContact O-N 2.85Å; F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 HydrophobicContact CD2-CD1 4.33Å; F17-L21 HydrophobicContact CE1-CD1 3.8Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.46Å; F17-L21 VanDerWaalsContact CZ-CD1 3.46Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.24Å; F17-T62 HydrophobicContact CE2-CG2 4.05Å; F17-T62 HydrophobicContact CZ-CG2 4.05Å; F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.02Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F17-L103 HydrophobicContact CZ-CG 4.45Å
18F93.7Very high93.7Very high0 Ų068.2 Ų68.20%031%0.313CS..Hα-helixtrans-68.3-40179.3-72.3-66.5000112.2K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125K11-F18 HydrophobicContact CG-CD2 4.45Å; K11-F18 HydrophobicContact CG-CE2 4.16Å; F12-F18 HydrophobicContact CD2-CB 3.9Å; F12-F18 AromaticContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CE1 4.4Å; F12-F18 AromaticContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CE2-CB 4.28Å; F12-F18 HydrophobicContact CE2-CD1 4.02Å; F12-F18 HydrophobicContact CE2-CG 4.44Å; F12-F18 HydrophobicContact CG-CB 4.33Å; F12-F18 WeakPolarHBondContact O-CB 3.41Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.44Å; E15-F18 PolarHBondContact O-N 2.95Å; E15-F18 VanDerWaalsContact O-N 3.11Å; E15-F18 WeakPolarHBondContact OE2-CE2 2.97Å; F18-K20 PolarHBondContact O-N 2.96Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 PolarHBondContact O-N 3.15Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-S22 VanDerWaalsContact O-CB 3.31Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 3.21Å; F18-S22 PolarHBondContact O-OG 3.48Å; F18-L103 HydrophobicContact CE1-CB 4.26Å; F18-L103 HydrophobicContact CE1-CD2 4.09Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 WeakPolarHBondContact CZ-O 3.4Å; F18-N104 HydrophobicContact CE2-CB 4.44Å; F18-N104 HydrophobicContact CZ-CB 4.11Å; F18-V106 HydrophobicContact CD2-CG2 4.48Å; F18-V106 HydrophobicContact CE1-CB 4.16Å; F18-V106 HydrophobicContact CE1-CG2 4.49Å; F18-V106 HydrophobicContact CE2-CB 4.16Å; F18-V106 HydrophobicContact CE2-CG2 3.61Å; F18-V106 HydrophobicContact CZ-CB 3.67Å; F18-V106 HydrophobicContact CZ-CG1 4.37Å; F18-V106 HydrophobicContact CZ-CG2 3.62Å; F18-V108 HydrophobicContact CD1-CG1 4.4Å; F18-V108 HydrophobicContact CE1-CG1 4.09Å; F18-L125 HydrophobicContact CD1-CD1 4.28Å
19R93.4Very high94Very high128 Ų12868.3 Ų68.348%0.48331%0.313SS..Hα-helixtrans-59.8-33176.8-72.2-174.767143.1-0.1113.8E13 E15 E16 S22E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.8Å; E16-R19 PolarHBondContact O-N 3.33Å; R19-S22 PolarHBondContact O-OG 2.93Å
20K92.7Very high94.1Very high97 Ų9764.5 Ų64.542%0.42230%0.3SS..Hα-helixtrans-71.6-47.7174.6-77.2175.4-179.6169.40110.6E16 F17 F18 S22 R23 T60E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 WeakPolarHBondContact O-CG 3.44Å; E16-K20 PolarHBondContact O-N 3.5Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 2.75Å; E16-K20 PolarHBondContact OE1-NZ 2.94Å; F17-K20 PolarHBondContact O-N 2.85Å; F18-K20 PolarHBondContact O-N 2.96Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.49Å; K20-R23 PolarHBondContact O-N 3.44Å; K20-T60 HydrophobicContact CD-CG2 4.47Å
21L93.6Very high94.1Very high1 Ų162.7 Ų62.71%0.00529%0.288CS..Hα-helixtrans-75.9-17.4-176.3-61-173.4000113.9F17 F18 R23 F57 T60 T62 L103 C124 L125F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 HydrophobicContact CD2-CD1 4.33Å; F17-L21 HydrophobicContact CE1-CD1 3.8Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.46Å; F17-L21 VanDerWaalsContact CZ-CD1 3.46Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.24Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 PolarHBondContact O-N 3.15Å; F18-L21 VanDerWaalsContact O-N 3.15Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-F57 HydrophobicContact CB-CZ 4.4Å; L21-F57 HydrophobicContact CD1-CD2 4.47Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.01Å; L21-F57 HydrophobicContact CD2-CD1 3.78Å; L21-F57 HydrophobicContact CD2-CD2 3.63Å; L21-F57 HydrophobicContact CD2-CE1 4.07Å; L21-F57 HydrophobicContact CD2-CE2 3.94Å; L21-F57 HydrophobicContact CD2-CG 3.53Å; L21-F57 HydrophobicContact CD2-CZ 4.15Å; L21-T60 HydrophobicContact CD2-CG2 4.11Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-L103 HydrophobicContact CD1-CD2 4.5Å; L21-C124 CarbonylContact O-C 3.47Å; L21-C124 VanDerWaalsContact O-CA 3.24Å; L21-C124 WeakPolarHBondContact O-CA 3.45Å; L21-L125 HydrophobicContact CB-CB 4.47Å; L21-L125 HydrophobicContact CB-CD1 3.66Å; L21-L125 HydrophobicContact CB-CG 3.99Å; L21-L125 HydrophobicContact CD1-CD1 3.75Å; L21-L125 HydrophobicContact CG-CD1 4.38Å; L21-L125 PolarHBondContact O-N 3.3Å
22S93.7Very high94.1Very high46 Ų4664.2 Ų64.232%0.32230%0.295SS..THydrogen-bonded Turntrans-77.3-15.3175.664.90000113.6F18 R19 K20 L125F18-S22 VanDerWaalsContact O-CB 3.31Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 3.21Å; F18-S22 PolarHBondContact O-OG 3.48Å; R19-S22 PolarHBondContact O-OG 2.93Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.49Å; S22-L125 VanDerWaalsContact CA-O 3.28Å; S22-L125 WeakPolarHBondContact CA-O 3.46Å; S22-L125 WeakPolarHBondContact CB-O 3.35Å
23R93.6Very high94Very high164 Ų16470.8 Ų70.862%0.61932%0.32SS*.SBendtrans-82.9143.4170.7-63175.9-178.9-175.8-3.4108.9K20 L21 C25K20-R23 PolarHBondContact O-N 3.44Å; L21-R23 VanDerWaalsContact C-N 3.27Å; R23-C25 PolarHBondContact O-N 3.28Å; R23-C25 VanDerWaalsContact O-N 3.1Å; R23-C25 PolarHBondContact O-SG 2.91Å
24E93.3Very high94.1Very high134 Ų13472.1 Ų72.163%0.62633%0.329SS*.  trans-57.3118.5171.1-169.7171.3-150.100109.5M122E24-M122 HydrophobicContact CG-CB 3.76Å; E24-M122 HydrophobicContact CG-CG 4.33Å; E24-M122 WeakPolarHBondContact OE1-CB 3.38Å
25C93.4Very high94.1Very high24 Ų2472.4 Ų72.416%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-130.4151.9-173.5-72.90000110.1R23 I27 F57 M122 G123R23-C25 PolarHBondContact O-N 3.28Å; R23-C25 VanDerWaalsContact O-N 3.1Å; R23-C25 PolarHBondContact O-SG 2.91Å; C25-I27 PolarHBondContact O-N 3.08Å; C25-F57 HydrophobicContact CB-CD1 3.63Å; C25-F57 HydrophobicContact CB-CE1 3.91Å; C25-M122 WeakPolarHBondContact O-CA 3.43Å; C25-G123 PolarHBondContact N-O 3.45Å; C25-G123 PolarHBondContact O-N 3.05Å
26E97.3Very high94.3Very high78 Ų7873.5 Ų73.536%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-63.1131.2172.4-169.7-171.816300109.9K28 V58 G121 M122E26-K28 WeakPolarHBondContact OE1-CE 3.46Å; E26-K28 IonicContact OE1-NZ 3.96Å; E26-K28 PolarHBondContact OE1-NZ 3.41Å; E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.16Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.82Å; E26-V58 PolarHBondContact O-N 2.79Å; E26-G121 WeakPolarHBondContact CA-O 3.43Å; E26-M122 HydrophobicContact CB-SD 4.33Å
27I97.4Very high94.4Very high0 Ų071.6 Ų71.60%033%0.326CS..EExtended strand (participates in β ladder)trans-126.6153176.657.7103.1000110.5C25 I55 A56 F57 W110 I114 D120 G121C25-I27 PolarHBondContact O-N 3.08Å; I27-I55 HydrophobicContact CG2-CD1 4.4Å; I27-A56 CarbonylContact C-O 3.22Å; I27-A56 WeakPolarHBondContact CA-O 3.08Å; I27-F57 HydrophobicContact CG2-CD1 3.55Å; I27-F57 HydrophobicContact CG2-CD2 4.46Å; I27-F57 HydrophobicContact CG2-CE1 3.72Å; I27-F57 HydrophobicContact CG2-CG 3.97Å; I27-F57 HydrophobicContact CG2-CZ 4.26Å; I27-W110 HydrophobicContact CD1-CZ2 4.01Å; I27-W110 HydrophobicContact CG1-CZ2 4.33Å; I27-I114 HydrophobicContact CD1-CD1 3.53Å; I27-I114 HydrophobicContact CD1-CG1 3.3Å; I27-D120 CarbonylContact O-C 3.5Å; I27-D120 WeakPolarHBondContact O-CA 3.08Å; I27-G121 PolarHBondContact N-O 2.91Å; I27-G121 PolarHBondContact O-N 2.8Å
28K97.1Very high94.6Very high90 Ų9076.5 Ų76.539%0.39135%0.35SS..EExtended strand (participates in β ladder)trans-132.7142.6177.1-69.9-173.5-178.3178.40111.1E26 T30 I55 A56 V58 D120E26-K28 WeakPolarHBondContact OE1-CE 3.46Å; E26-K28 IonicContact OE1-NZ 3.96Å; E26-K28 PolarHBondContact OE1-NZ 3.41Å; K28-T30 WeakPolarHBondContact O-CG2 3.46Å; K28-I55 CarbonylContact O-C 3.53Å; K28-I55 VanDerWaalsContact O-CA 3.22Å; K28-I55 WeakPolarHBondContact O-CA 3.4Å; K28-A56 PolarHBondContact N-O 2.98Å; K28-A56 PolarHBondContact O-N 2.89Å; K28-V58 HydrophobicContact CB-CG2 4.41Å; K28-V58 HydrophobicContact CD-CG2 3.9Å; K28-V58 HydrophobicContact CG-CG2 3.7Å; K28-D120 HydrophobicContact CG-CB 3.96Å
29Y97Very high94.7Very high9 Ų979.4 Ų79.44%0.03536%0.363CS..EExtended strand (participates in β ladder)trans-67.8131.6167.8171.8-112.5000110.3G31 F32 R40 F44 S53 E54 L119Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.38Å; Y29-G31 VanDerWaalsContact CZ-CA 3.43Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.49Å; Y29-R40 PolarHBondContact O-NH2 3.22Å; Y29-F44 HydrophobicContact CD1-CB 4.05Å; Y29-F44 HydrophobicContact CD1-CD2 4.33Å; Y29-F44 HydrophobicContact CD1-CG 4.35Å; Y29-F44 HydrophobicContact CD2-CB 4.45Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.18Å; Y29-F44 HydrophobicContact CE1-CB 3.87Å; Y29-F44 HydrophobicContact CE2-CB 4.3Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.49Å; Y29-F44 HydrophobicContact CE2-CG 4.39Å; Y29-F44 HydrophobicContact CG-CB 4.31Å; Y29-F44 AromaticContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.14Å; Y29-S53 WeakPolarHBondContact CD2-OG 3.37Å; Y29-S53 WeakPolarHBondContact CE2-OG 3.19Å; Y29-E54 WeakPolarHBondContact CD2-O 3.3Å; Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 HydrophobicContact CD1-CD2 4.32Å; Y29-L119 PolarHBondContact N-O 3.38Å
30T95.8Very high94.9Very high13 Ų1375.3 Ų75.38%0.0835%0.347CS..  trans-114.7-2.1-171.960.70000114.4K28 R33 E54 A56K28-T30 WeakPolarHBondContact O-CG2 3.46Å; T30-R33 WeakPolarHBondContact O-CG 3.3Å; T30-E54 PolarHBondContact N-O 3.23Å; T30-E54 VanDerWaalsContact OG1-C 3.31Å; T30-E54 WeakPolarHBondContact OG1-CB 3.42Å; T30-E54 PolarHBondContact OG1-O 2.84Å; T30-A56 HydrophobicContact CG2-CB 3.48Å; T30-A56 VanDerWaalsContact CG2-CB 3.48Å
31G93.1Very high95Very high5 Ų572.7 Ų72.75%0.05234%0.337CS..THydrogen-bonded Turntrans-68.4145.8175.800000112.5Y29 R33 R40Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.38Å; Y29-G31 VanDerWaalsContact CZ-CA 3.43Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.18Å; G31-R40 PolarHBondContact O-NE 3.28Å
32F93.1Very high95.1Very high94 Ų9475 Ų7541%0.41236%0.356SS..THydrogen-bonded Turntrans50.244.3171.2-55.9-83.5000114.1Y29 D34 R35 R40 R43Y29-F32 WeakPolarHBondContact OH-CD2 3.49Å; F32-D34 WeakPolarHBondContact CA-OD1 3.27Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-D34 VanDerWaalsContact O-N 3.13Å; F32-R35 HydrophobicContact CB-CB 4.2Å; F32-R35 HydrophobicContact CB-CG 3.82Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.41Å; F32-R40 HydrophobicContact CB-CG 4.34Å; F32-R40 WeakPolarHBondContact O-CD 3.49Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.38Å; F32-R40 PolarHBondContact O-NE 2.93Å; F32-R43 HydrophobicContact CD2-CB 4.06Å; F32-R43 VanDerWaalsContact CD2-CD 3.46Å; F32-R43 HydrophobicContact CD2-CG 4.36Å; F32-R43 HydrophobicContact CE2-CB 4.25Å; F32-R43 HydrophobicContact CE2-CG 4.46Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å
33R91.6Very high95.2Very high161 Ų16177.1 Ų77.161%0.60836%0.357SS*.THydrogen-bonded Turntrans-60.7-19.9-179.4-74.2173.1176.7-172.42.6113.9T30 G31T30-R33 WeakPolarHBondContact O-CG 3.3Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.18Å
34D94.5Very high95.3Very high119 Ų11969.3 Ų69.364%0.63633%0.327SS*.THydrogen-bonded Turntrans-74.1-12.2173.861.1-56.3000113.5F32F32-D34 WeakPolarHBondContact CA-OD1 3.27Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-D34 VanDerWaalsContact O-N 3.13Å
35R94.7Very high95.3Very high115 Ų11566 Ų6643%0.43431%0.312SS..SBendtrans-98.6155.3-173.6-58.7-63168.1155.9-1.3113.1F32 E39 R40F32-R35 HydrophobicContact CB-CB 4.2Å; F32-R35 HydrophobicContact CB-CG 3.82Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.41Å; R35-E39 HydrophobicContact CB-CB 4.36Å; R35-E39 HydrophobicContact CB-CG 4.46Å; R35-R40 HydrophobicContact CB-CG 4.01Å; R35-R40 VanDerWaalsContact O-CD 3.3Å; R35-R40 WeakPolarHBondContact O-CD 3.41Å
36P96.1Very high95.3Very high85 Ų8568.6 Ų68.655%0.55232%0.324SS*.  trans-56.2151.6172.2-23.334.1000112.3E38 E39 R40P36-E38 PolarHBondContact O-N 2.9Å; P36-E39 PolarHBondContact O-N 2.94Å; P36-E39 VanDerWaalsContact O-N 3.12Å; P36-R40 WeakPolarHBondContact O-CG 3.31Å; P36-R40 PolarHBondContact O-N 3.36Å
37H95.6Very high95.1Very high87 Ų8765.7 Ų65.740%0.40331%0.314SS..Hα-helixtrans-57-44.7-174.6-168.370.3000113.4E39 R40 Q41 Q117H37-E39 VanDerWaalsContact C-N 3.35Å; H37-E39 PolarHBondContact O-N 2.87Å; H37-R40 WeakPolarHBondContact O-CB 3.29Å; H37-R40 PolarHBondContact O-N 3.35Å; H37-R40 VanDerWaalsContact O-N 3.15Å; H37-Q41 PolarHBondContact CD2-NE2 3.45Å; H37-Q41 PolarHBondContact NE2-NE2 3.11Å; H37-Q41 WeakPolarHBondContact O-CG 3.42Å; H37-Q41 PolarHBondContact O-N 2.98Å; H37-Q117 PolarHBondContact CE1-O 2.91Å; H37-Q117 PolarHBondContact NE2-O 3.47Å
38E95.6Very high94.8Very high157 Ų15765.8 Ų65.873%0.73431%0.314SS*.Hα-helixtrans-61.6-40.7177.4-66.9-177.6168.800112.7P36 R40 Q41 A42P36-E38 PolarHBondContact O-N 2.9Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 2.85Å; E38-Q41 WeakPolarHBondContact O-CB 3.47Å; E38-Q41 PolarHBondContact O-N 2.98Å; E38-A42 PolarHBondContact O-N 2.74Å; E38-A42 VanDerWaalsContact O-N 3.13Å
39E96.4Very high94.5Very high60 Ų6067.5 Ų67.528%0.2832%0.318SS..Hα-helixtrans-64.6-39.7176.1-169.9-175.2155.200110.5R35 P36 H37 Q41 A42 R43R35-E39 HydrophobicContact CB-CB 4.36Å; R35-E39 HydrophobicContact CB-CG 4.46Å; P36-E39 PolarHBondContact O-N 2.94Å; P36-E39 VanDerWaalsContact O-N 3.12Å; H37-E39 VanDerWaalsContact C-N 3.35Å; H37-E39 PolarHBondContact O-N 2.87Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.22Å; E39-A42 PolarHBondContact O-N 3.11Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.29Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 IonicContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.82Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.87Å
40R96.6Very high94.1Very high42 Ų4271.9 Ų71.916%0.15834%0.342CS..Hα-helixtrans-63.8-38.4176.2-66.4177.467.4-143.2-7.1111.9Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119Y29-R40 PolarHBondContact O-NH2 3.22Å; G31-R40 PolarHBondContact O-NE 3.28Å; F32-R40 HydrophobicContact CB-CG 4.34Å; F32-R40 WeakPolarHBondContact O-CD 3.49Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.38Å; F32-R40 PolarHBondContact O-NE 2.93Å; R35-R40 HydrophobicContact CB-CG 4.01Å; R35-R40 VanDerWaalsContact O-CD 3.3Å; R35-R40 WeakPolarHBondContact O-CD 3.41Å; P36-R40 WeakPolarHBondContact O-CG 3.31Å; P36-R40 PolarHBondContact O-N 3.36Å; H37-R40 WeakPolarHBondContact O-CB 3.29Å; H37-R40 PolarHBondContact O-N 3.35Å; H37-R40 VanDerWaalsContact O-N 3.15Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 2.85Å; R40-R43 PolarHBondContact O-N 3.49Å; R40-F44 WeakPolarHBondContact O-CB 3.37Å; R40-F44 PolarHBondContact O-N 3.2Å; R40-L119 HydrophobicContact CB-CD1 3.61Å
41Q95.9Very high93.9Very high43 Ų4371.3 Ų71.320%0.20134%0.339CS..Hα-helixtrans-60.5-50.3174.9-67.4168.8-19.800111.5H37 E38 E39 R43 F44 Q45 Q117 L119H37-Q41 PolarHBondContact CD2-NE2 3.45Å; H37-Q41 PolarHBondContact NE2-NE2 3.11Å; H37-Q41 WeakPolarHBondContact O-CG 3.42Å; H37-Q41 PolarHBondContact O-N 2.98Å; E38-Q41 WeakPolarHBondContact O-CB 3.47Å; E38-Q41 PolarHBondContact O-N 2.98Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.22Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.4Å; Q41-F44 PolarHBondContact O-N 2.75Å; Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.31Å; Q41-Q117 PolarHBondContact NE2-O 2.82Å; Q41-L119 HydrophobicContact CG-CD1 4.18Å; Q41-L119 HydrophobicContact CG-CD2 4.44Å; Q41-L119 HydrophobicContact CG-CG 4.27Å
42A95.4Very high93.9Very high49 Ų4977.4 Ų77.441%0.40536%0.36SS..Hα-helixtrans-61.5-42.6178.500000111.7E38 E39 Q45 N46E38-A42 PolarHBondContact O-N 2.74Å; E38-A42 VanDerWaalsContact O-N 3.13Å; E39-A42 PolarHBondContact O-N 3.11Å; A42-Q45 PolarHBondContact O-N 3Å; A42-N46 VanDerWaalsContact O-CG 3.29Å; A42-N46 PolarHBondContact O-N 2.84Å; A42-N46 PolarHBondContact O-ND2 2.89Å
43R95.3Very high93.9Very high91 Ų9173.3 Ų73.334%0.34334%0.343SS..Hα-helixtrans-65-42.8177.1-73.3-177-176.7-73.3-3.1112.4F32 E39 R40 Q41 N46 A47F32-R43 HydrophobicContact CD2-CB 4.06Å; F32-R43 VanDerWaalsContact CD2-CD 3.46Å; F32-R43 HydrophobicContact CD2-CG 4.36Å; F32-R43 HydrophobicContact CE2-CB 4.25Å; F32-R43 HydrophobicContact CE2-CG 4.46Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.29Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 IonicContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.82Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.87Å; R40-R43 PolarHBondContact O-N 3.49Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.4Å; R43-N46 PolarHBondContact O-N 3.35Å; R43-A47 VanDerWaalsContact O-CB 3.25Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.38Å
44F95.8Very high94.1Very high0 Ų070.5 Ų70.50%034%0.337CS..Hα-helixtrans-62.3-44.9177.3175.9-118.2000111.6Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119Y29-F44 HydrophobicContact CD1-CB 4.05Å; Y29-F44 HydrophobicContact CD1-CD2 4.33Å; Y29-F44 HydrophobicContact CD1-CG 4.35Å; Y29-F44 HydrophobicContact CD2-CB 4.45Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.18Å; Y29-F44 HydrophobicContact CE1-CB 3.87Å; Y29-F44 HydrophobicContact CE2-CB 4.3Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.49Å; Y29-F44 HydrophobicContact CE2-CG 4.39Å; Y29-F44 HydrophobicContact CG-CB 4.31Å; Y29-F44 AromaticContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.14Å; R40-F44 WeakPolarHBondContact O-CB 3.37Å; R40-F44 PolarHBondContact O-N 3.2Å; Q41-F44 PolarHBondContact O-N 2.75Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 2.97Å; F44-A47 WeakPolarHBondContact O-CB 3.47Å; F44-A47 PolarHBondContact O-N 2.84Å; F44-A47 VanDerWaalsContact O-N 3.15Å; F44-C48 VanDerWaalsContact CE2-SG 3.54Å; F44-C48 WeakPolarHBondContact CZ-SG 3.19Å; F44-C48 PolarHBondContact O-N 3.34Å; F44-C48 PolarHBondContact O-SG 2.8Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; F44-S53 WeakPolarHBondContact CD2-OG 3.08Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; F44-V95 HydrophobicContact CE1-CG1 3.71Å; F44-V95 HydrophobicContact CZ-CG1 3.75Å; F44-L97 HydrophobicContact CZ-CD1 4.11Å; F44-I114 HydrophobicContact CD1-CG2 4.38Å; F44-I114 HydrophobicContact CE1-CB 3.92Å; F44-I114 HydrophobicContact CE1-CG2 3.47Å; F44-I114 VanDerWaalsContact CE1-CG2 3.47Å; F44-I114 HydrophobicContact CE2-CD1 3.93Å; F44-I114 HydrophobicContact CZ-CB 3.71Å; F44-I114 HydrophobicContact CZ-CD1 3.58Å; F44-I114 HydrophobicContact CZ-CG1 4.17Å; F44-I114 HydrophobicContact CZ-CG2 3.58Å; F44-L116 HydrophobicContact CD1-CD2 4.2Å; F44-L116 HydrophobicContact CE1-CD2 3.96Å; F44-L119 HydrophobicContact CB-CD2 3.83Å; F44-L119 HydrophobicContact CD1-CD2 3.58Å; F44-L119 HydrophobicContact CE1-CD2 4.43Å; F44-L119 HydrophobicContact CG-CD2 3.89Å
45Q93.7Very high94.2Very high64 Ų6464.9 Ų64.930%0.29931%0.307SS..Hα-helixtrans-59.5-41.9175.7-72.8178.144.900112.4Q41 A42 C48 R49 L116Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.31Å; A42-Q45 PolarHBondContact O-N 3Å; Q45-C48 PolarHBondContact O-N 2.92Å; Q45-R49 WeakPolarHBondContact O-CG 3.38Å; Q45-R49 PolarHBondContact O-N 3.43Å; Q45-L116 HydrophobicContact CG-CD2 3.98Å
46N93.4Very high94.3Very high78 Ų7859.7 Ų59.742%0.41729%0.289SS..Hα-helixtrans-66.8-41.2175.1-68.9-20.8000111.6A42 R43 F44 C48 R49 D50A42-N46 VanDerWaalsContact O-CG 3.29Å; A42-N46 PolarHBondContact O-N 2.84Å; A42-N46 PolarHBondContact O-ND2 2.89Å; R43-N46 PolarHBondContact O-N 3.35Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 2.97Å; N46-C48 VanDerWaalsContact C-N 3.32Å; N46-C48 PolarHBondContact O-N 3.43Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 WeakPolarHBondContact O-CA 2.82Å; N46-R49 WeakPolarHBondContact O-CB 3.42Å; N46-R49 PolarHBondContact O-N 2.97Å; N46-R49 PolarHBondContact OD1-NH1 3.28Å; N46-D50 WeakPolarHBondContact O-CB 3.2Å; N46-D50 VanDerWaalsContact O-CG 3.3Å; N46-D50 PolarHBondContact O-N 3.44Å
47A92.6Very high94.3Very high18 Ų1855.7 Ų55.715%0.14926%0.263CS..Hα-helixtrans-60.8-40.3177.100000111.8R43 F44 R49 D50 G51 R52R43-A47 VanDerWaalsContact O-CB 3.25Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.38Å; F44-A47 WeakPolarHBondContact O-CB 3.47Å; F44-A47 PolarHBondContact O-N 2.84Å; F44-A47 VanDerWaalsContact O-N 3.15Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 2.85Å; A47-D50 CarbonylContact O-C 3.48Å; A47-D50 PolarHBondContact O-N 3.35Å; A47-G51 PolarHBondContact O-N 3.14Å; A47-R52 CarbonylContact C-O 3.47Å; A47-R52 VanDerWaalsContact C-O 3.22Å; A47-R52 WeakPolarHBondContact CA-O 3.06Å; A47-R52 WeakPolarHBondContact CB-O 3.48Å; A47-R52 PolarHBondContact O-N 2.83Å
48C92Very high94.3Very high1 Ų154.7 Ų54.71%0.00726%0.262CS..Hα-helixtrans-60.1-40.1171.2-68.70000112.3F44 Q45 N46 G51 P81 V86F44-C48 VanDerWaalsContact CE2-SG 3.54Å; F44-C48 WeakPolarHBondContact CZ-SG 3.19Å; F44-C48 PolarHBondContact O-N 3.34Å; F44-C48 PolarHBondContact O-SG 2.8Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; Q45-C48 PolarHBondContact O-N 2.92Å; N46-C48 VanDerWaalsContact C-N 3.32Å; N46-C48 PolarHBondContact O-N 3.43Å; C48-G51 PolarHBondContact O-N 2.98Å; C48-P81 WeakPolarHBondContact O-CG 3.03Å; C48-V86 HydrophobicContact CB-CG1 4.24Å
49R89.2Confident94.1Very high127 Ų12751.2 Ų51.248%0.47926%0.261SS..Hα-helixtrans-72-32.7175.5-66177-171.4123.73112.9Q45 N46 A47 G51 P81Q45-R49 WeakPolarHBondContact O-CG 3.38Å; Q45-R49 PolarHBondContact O-N 3.43Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 WeakPolarHBondContact O-CA 2.82Å; N46-R49 WeakPolarHBondContact O-CB 3.42Å; N46-R49 PolarHBondContact O-N 2.97Å; N46-R49 PolarHBondContact OD1-NH1 3.28Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 2.85Å; R49-G51 PolarHBondContact O-N 3.45Å; R49-P81 WeakPolarHBondContact O-CD 3.33Å
50D90.1Very high93.8Very high101 Ų10151.2 Ų51.254%0.5427%0.265SS..Hα-helixtrans-77-7.6175.4-68.2-22.6000112.2N46 A47N46-D50 WeakPolarHBondContact O-CB 3.2Å; N46-D50 VanDerWaalsContact O-CG 3.3Å; N46-D50 PolarHBondContact O-N 3.44Å; A47-D50 CarbonylContact O-C 3.48Å; A47-D50 PolarHBondContact O-N 3.35Å
51G91.3Very high93.6Very high0 Ų051.4 Ų51.40%028%0.28CS..THydrogen-bonded Turntrans80.218.9174.900000114.7A47 C48 R49 Q67 F68 F69A47-G51 PolarHBondContact O-N 3.14Å; C48-G51 PolarHBondContact O-N 2.98Å; R49-G51 PolarHBondContact O-N 3.45Å; G51-Q67 CarbonylContact O-C 3.53Å; G51-Q67 WeakPolarHBondContact O-CA 3.34Å; G51-F68 PolarHBondContact O-N 2.89Å; G51-F69 VanDerWaalsContact O-CE2 3.32Å; G51-F69 WeakPolarHBondContact O-CE2 3.38Å
52R92.3Very high93.5Very high133 Ų13350.7 Ų50.750%0.50228%0.279SS..EExtended strand (participates in β ladder)trans-143.6140.3-178.1-55.4-178.6-172.71471.8111.1A47 L66 Q67A47-R52 CarbonylContact C-O 3.47Å; A47-R52 VanDerWaalsContact C-O 3.22Å; A47-R52 WeakPolarHBondContact CA-O 3.06Å; A47-R52 WeakPolarHBondContact CB-O 3.48Å; A47-R52 PolarHBondContact O-N 2.83Å; R52-L66 WeakPolarHBondContact CA-O 3.13Å; R52-Q67 HydrophobicContact CG-CG 4.44Å
53S94.8Very high93.5Very high9 Ų953.2 Ų53.26%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-156.2160.8174.1-1640000111.9Y29 F44 L66Y29-S53 WeakPolarHBondContact CD2-OG 3.37Å; Y29-S53 WeakPolarHBondContact CE2-OG 3.19Å; F44-S53 WeakPolarHBondContact CD2-OG 3.08Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; S53-L66 PolarHBondContact N-O 3.39Å; S53-L66 PolarHBondContact O-N 2.94Å
54E95.7Very high93.5Very high102 Ų10249.4 Ų49.448%0.47727%0.272SS..EExtended strand (participates in β ladder)trans-114.8128.3176.1-66.3177.8-177.800109.7Y29 T30 L64Y29-E54 WeakPolarHBondContact CD2-O 3.3Å; T30-E54 PolarHBondContact N-O 3.23Å; T30-E54 VanDerWaalsContact OG1-C 3.31Å; T30-E54 WeakPolarHBondContact OG1-CB 3.42Å; T30-E54 PolarHBondContact OG1-O 2.84Å; E54-L64 WeakPolarHBondContact CA-O 3.49Å
55I96.6Very high93.5Very high0 Ų053.6 Ų53.60%030%0.301CS..EExtended strand (participates in β ladder)trans-130.9164.9179.46780.5000110.5I27 K28 F57 N63 L64 L66 I114I27-I55 HydrophobicContact CG2-CD1 4.4Å; K28-I55 CarbonylContact O-C 3.53Å; K28-I55 VanDerWaalsContact O-CA 3.22Å; K28-I55 WeakPolarHBondContact O-CA 3.4Å; I55-F57 HydrophobicContact CD1-CD2 4.37Å; I55-F57 HydrophobicContact CD1-CE2 4.4Å; I55-N63 CarbonylContact O-C 3.52Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; I55-L64 HydrophobicContact CD1-CB 3.98Å; I55-L64 HydrophobicContact CD1-CD1 4.26Å; I55-L64 HydrophobicContact CD1-CG 4.35Å; I55-L64 HydrophobicContact CG1-CB 4.35Å; I55-L64 PolarHBondContact N-O 2.76Å; I55-L64 PolarHBondContact O-N 3.37Å; I55-L66 HydrophobicContact CG1-CD1 3.75Å; I55-L66 HydrophobicContact CG1-CD2 4.2Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.1Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å
56A96.7Very high93.5Very high7 Ų750.6 Ų50.66%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-134141.4168.700000111.7I27 K28 T30 V58 T62 N63I27-A56 CarbonylContact C-O 3.22Å; I27-A56 WeakPolarHBondContact CA-O 3.08Å; K28-A56 PolarHBondContact N-O 2.98Å; K28-A56 PolarHBondContact O-N 2.89Å; T30-A56 HydrophobicContact CG2-CB 3.48Å; T30-A56 VanDerWaalsContact CG2-CB 3.48Å; A56-V58 PolarHBondContact O-N 3.44Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 WeakPolarHBondContact CA-O 3.43Å; A56-N63 WeakPolarHBondContact CB-OD1 3.34Å
57F96.1Very high93.5Very high1 Ų151.7 Ų51.70%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-72120.2162.7-76.1-86.4000109.5L21 C25 I27 I55 A59 T60 G61 T62 L64 W110 G123L21-F57 HydrophobicContact CB-CZ 4.4Å; L21-F57 HydrophobicContact CD1-CD2 4.47Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.01Å; L21-F57 HydrophobicContact CD2-CD1 3.78Å; L21-F57 HydrophobicContact CD2-CD2 3.63Å; L21-F57 HydrophobicContact CD2-CE1 4.07Å; L21-F57 HydrophobicContact CD2-CE2 3.94Å; L21-F57 HydrophobicContact CD2-CG 3.53Å; L21-F57 HydrophobicContact CD2-CZ 4.15Å; C25-F57 HydrophobicContact CB-CD1 3.63Å; C25-F57 HydrophobicContact CB-CE1 3.91Å; I27-F57 HydrophobicContact CG2-CD1 3.55Å; I27-F57 HydrophobicContact CG2-CD2 4.46Å; I27-F57 HydrophobicContact CG2-CE1 3.72Å; I27-F57 HydrophobicContact CG2-CG 3.97Å; I27-F57 HydrophobicContact CG2-CZ 4.26Å; I55-F57 HydrophobicContact CD1-CD2 4.37Å; I55-F57 HydrophobicContact CD1-CE2 4.4Å; F57-A59 PolarHBondContact O-N 3.46Å; F57-T60 WeakPolarHBondContact CB-OG1 3Å; F57-T60 PolarHBondContact O-N 3.06Å; F57-G61 VanDerWaalsContact O-CA 3.29Å; F57-G61 WeakPolarHBondContact O-CA 3.41Å; F57-G61 PolarHBondContact O-N 3.49Å; F57-T62 PolarHBondContact N-O 3.01Å; F57-L64 HydrophobicContact CD2-CD1 4.26Å; F57-L64 HydrophobicContact CE2-CD1 3.66Å; F57-W110 AromaticContact CE2-CD1 3.99Å; F57-W110 AromaticContact CE2-NE1 3.97Å; F57-W110 AromaticContact CZ-CD1 3.82Å; F57-W110 AromaticContact CZ-NE1 3.69Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å
58V95Very high93.5Very high65 Ų6550.8 Ų50.839%0.39428%0.283SS..THydrogen-bonded Turntrans-65.8-41.6-176178.20000110.9E26 K28 A56 T60E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.16Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.82Å; E26-V58 PolarHBondContact O-N 2.79Å; K28-V58 HydrophobicContact CB-CG2 4.41Å; K28-V58 HydrophobicContact CD-CG2 3.9Å; K28-V58 HydrophobicContact CG-CG2 3.7Å; A56-V58 PolarHBondContact O-N 3.44Å; V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 3.44Å
59A90.8Very high93.5Very high85 Ų8551.2 Ų51.270%0.70228%0.284SS*.THydrogen-bonded Turntrans-64.3-31.7-176.300000113.6F57F57-A59 PolarHBondContact O-N 3.46Å
60T90.6Very high93.3Very high59 Ų5947.6 Ų47.636%0.36228%0.277SS..THydrogen-bonded Turntrans-112.6-14-175.262.20000113.4K20 L21 F57 V58 T62K20-T60 HydrophobicContact CD-CG2 4.47Å; L21-T60 HydrophobicContact CD2-CG2 4.11Å; F57-T60 WeakPolarHBondContact CB-OG1 3Å; F57-T60 PolarHBondContact O-N 3.06Å; V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 3.44Å; T60-T62 WeakPolarHBondContact CB-OG1 3.27Å; T60-T62 PolarHBondContact O-N 2.97Å; T60-T62 VanDerWaalsContact OG1-CB 3.3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.16Å; T60-T62 PolarHBondContact OG1-N 3.43Å; T60-T62 PolarHBondContact OG1-OG1 3.14Å
61G92.9Very high92.8Very high47 Ų4745.1 Ų45.149%0.48527%0.271SS..  trans67.712.3-169.400000113.8F57 N63F57-G61 VanDerWaalsContact O-CA 3.29Å; F57-G61 WeakPolarHBondContact O-CA 3.41Å; F57-G61 PolarHBondContact O-N 3.49Å; G61-N63 PolarHBondContact O-N 3.01Å; G61-N63 PolarHBondContact O-ND2 2.83Å
62T93.9Very high92.1Very high28 Ų2850 Ų5017%0.17231%0.305CS..  trans-72115.9-178.6-55.60000109.8F17 L21 A56 F57 T60 L64F17-T62 HydrophobicContact CE2-CG2 4.05Å; F17-T62 HydrophobicContact CZ-CG2 4.05Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 WeakPolarHBondContact CA-O 3.43Å; F57-T62 PolarHBondContact N-O 3.01Å; T60-T62 WeakPolarHBondContact CB-OG1 3.27Å; T60-T62 PolarHBondContact O-N 2.97Å; T60-T62 VanDerWaalsContact OG1-CB 3.3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.16Å; T60-T62 PolarHBondContact OG1-N 3.43Å; T60-T62 PolarHBondContact OG1-OG1 3.14Å; T62-L64 HydrophobicContact CG2-CD2 4.2Å; T62-L64 HydrophobicContact CG2-CG 4.5Å
63N95.2Very high91Very high102 Ų10246 Ų4655%0.54529%0.29SS..EExtended strand (participates in β ladder)trans-88.1137.3173.8-57-81.1000110.3I55 A56 G61I55-N63 CarbonylContact O-C 3.52Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; A56-N63 WeakPolarHBondContact CB-OD1 3.34Å; G61-N63 PolarHBondContact O-N 3.01Å; G61-N63 PolarHBondContact O-ND2 2.83Å
64L95.1Very high89.7Confident10 Ų1054.1 Ų54.15%0.05233%0.327CS..EExtended strand (participates in β ladder)trans-128.4137.1176-63.2-177.3000110.4E54 I55 F57 T62 L66 M101 L103 L125E54-L64 WeakPolarHBondContact CA-O 3.49Å; I55-L64 HydrophobicContact CD1-CB 3.98Å; I55-L64 HydrophobicContact CD1-CD1 4.26Å; I55-L64 HydrophobicContact CD1-CG 4.35Å; I55-L64 HydrophobicContact CG1-CB 4.35Å; I55-L64 PolarHBondContact N-O 2.76Å; I55-L64 PolarHBondContact O-N 3.37Å; F57-L64 HydrophobicContact CD2-CD1 4.26Å; F57-L64 HydrophobicContact CE2-CD1 3.66Å; T62-L64 HydrophobicContact CG2-CD2 4.2Å; T62-L64 HydrophobicContact CG2-CG 4.5Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-M101 HydrophobicContact CD1-SD 4.39Å; L64-M101 HydrophobicContact CD2-SD 4.44Å; L64-L103 HydrophobicContact CD2-CD1 4.02Å; L64-L103 HydrophobicContact CD2-CD2 4.23Å; L64-L125 HydrophobicContact CD1-CD2 4.39Å
65S94.7Very high87.9Confident88 Ų8850.8 Ų50.862%0.61532%0.32SS*.EExtended strand (participates in β ladder)trans-95.6109168-55.80000108.3
66L94.7Very high86.1Confident2 Ų260 Ų601%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-88.8138.8-178.4-53.1-172000110.4R52 S53 I55 L64 F68 A99 M101 W110R52-L66 WeakPolarHBondContact CA-O 3.13Å; S53-L66 PolarHBondContact N-O 3.39Å; S53-L66 PolarHBondContact O-N 2.94Å; I55-L66 HydrophobicContact CG1-CD1 3.75Å; I55-L66 HydrophobicContact CG1-CD2 4.2Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.1Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L66-F68 HydrophobicContact CB-CD1 4.39Å; L66-F68 HydrophobicContact CB-CE1 3.62Å; L66-F68 HydrophobicContact CB-CZ 3.96Å; L66-F68 HydrophobicContact CD1-CE1 3.81Å; L66-F68 HydrophobicContact CD1-CZ 4.17Å; L66-F68 HydrophobicContact CG-CE1 4.4Å; L66-A99 HydrophobicContact CB-CB 3.91Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.41Å; L66-M101 HydrophobicContact CD2-CE 3.39Å; L66-W110 HydrophobicContact CD1-CD2 3.79Å; L66-W110 HydrophobicContact CD1-CE3 3.5Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.15Å; L66-W110 HydrophobicContact CD1-CZ3 3.56Å; L66-W110 HydrophobicContact CD2-CB 4.2Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.32Å; L66-W110 HydrophobicContact CD2-CG 4Å
67Q93.7Very high84.3Confident100 Ų10066.9 Ų66.947%0.46739%0.394SS..EExtended strand (participates in β ladder)trans-121.8124.5167.3-62-175.210.900108G51 R52 F69 A99G51-Q67 CarbonylContact O-C 3.53Å; G51-Q67 WeakPolarHBondContact O-CA 3.34Å; R52-Q67 HydrophobicContact CG-CG 4.44Å; Q67-F69 PolarHBondContact O-N 3.16Å; Q67-F69 VanDerWaalsContact O-N 3.15Å; Q67-A99 WeakPolarHBondContact O-CB 3.19Å
68F93Very high82.8Confident0 Ų078.5 Ų78.50%044%0.438CS..  trans-91.545.7-173.9-51.7-48.6000111G51 L66 P81 Y85 V86 L97 A99G51-F68 PolarHBondContact O-N 2.89Å; L66-F68 HydrophobicContact CB-CD1 4.39Å; L66-F68 HydrophobicContact CB-CE1 3.62Å; L66-F68 HydrophobicContact CB-CZ 3.96Å; L66-F68 HydrophobicContact CD1-CE1 3.81Å; L66-F68 HydrophobicContact CD1-CZ 4.17Å; L66-F68 HydrophobicContact CG-CE1 4.4Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-P81 WeakPolarHBondContact O-CB 3.39Å; F68-Y85 WeakPolarHBondContact O-CB 3.48Å; F68-V86 HydrophobicContact CB-CG2 3.6Å; F68-V86 HydrophobicContact CD2-CG2 3.76Å; F68-V86 HydrophobicContact CG-CG2 3.73Å; F68-L97 HydrophobicContact CD1-CB 4.49Å; F68-L97 HydrophobicContact CD1-CD2 4.2Å; F68-L97 HydrophobicContact CD2-CD2 4.27Å; F68-L97 HydrophobicContact CE1-CB 3.97Å; F68-L97 HydrophobicContact CE1-CD1 4.07Å; F68-L97 HydrophobicContact CE1-CD2 3.89Å; F68-L97 HydrophobicContact CE1-CG 4.2Å; F68-L97 HydrophobicContact CE2-CD2 4Å; F68-L97 HydrophobicContact CG-CD2 4.4Å; F68-L97 HydrophobicContact CZ-CB 4.48Å; F68-L97 HydrophobicContact CZ-CD1 3.75Å; F68-L97 HydrophobicContact CZ-CD2 3.8Å; F68-L97 HydrophobicContact CZ-CG 4.23Å; F68-A99 HydrophobicContact CD1-CB 4.11Å; F68-A99 HydrophobicContact CE1-CB 4.32Å
69F91Very high81.7Confident9 Ų980.8 Ų80.84%0.03944%0.444CS..SBendtrans-131.1159.1-178-63.3-76.4000110G51 Q67 W73 Q79 P81 P100G51-F69 VanDerWaalsContact O-CE2 3.32Å; G51-F69 WeakPolarHBondContact O-CE2 3.38Å; Q67-F69 PolarHBondContact O-N 3.16Å; Q67-F69 VanDerWaalsContact O-N 3.15Å; F69-W73 HydrophobicContact CB-CB 3.88Å; F69-W73 HydrophobicContact CB-CD2 3.8Å; F69-W73 HydrophobicContact CB-CE3 3.65Å; F69-W73 HydrophobicContact CB-CG 3.94Å; F69-W73 HydrophobicContact CB-CZ3 4.38Å; F69-W73 AromaticContact CD1-CD2 3.97Å; F69-W73 HydrophobicContact CD1-CD2 3.97Å; F69-W73 AromaticContact CD1-CE2 4Å; F69-W73 HydrophobicContact CD1-CE3 4.18Å; F69-W73 HydrophobicContact CD1-CG 4.41Å; F69-W73 HydrophobicContact CD1-CH2 4.39Å; F69-W73 HydrophobicContact CD1-CZ2 4.21Å; F69-W73 HydrophobicContact CD1-CZ3 4.38Å; F69-W73 HydrophobicContact CD2-CD2 4.1Å; F69-W73 AromaticContact CD2-CE3 3.44Å; F69-W73 HydrophobicContact CD2-CE3 3.44Å; F69-W73 VanDerWaalsContact CD2-CE3 3.44Å; F69-W73 AromaticContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CZ2 4.38Å; F69-W73 AromaticContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CE1-CH2 4.18Å; F69-W73 HydrophobicContact CE1-CZ2 4.03Å; F69-W73 HydrophobicContact CE2-CE3 4.09Å; F69-W73 AromaticContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CH2 3.5Å; F69-W73 VanDerWaalsContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CZ2 4.18Å; F69-W73 AromaticContact CE2-CZ3 3.46Å; F69-W73 HydrophobicContact CE2-CZ3 3.46Å; F69-W73 VanDerWaalsContact CE2-CZ3 3.46Å; F69-W73 AromaticContact CG-CD2 3.68Å; F69-W73 HydrophobicContact CG-CD2 3.68Å; F69-W73 AromaticContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CE3 3.48Å; F69-W73 VanDerWaalsContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CG 4.24Å; F69-W73 HydrophobicContact CG-CH2 4.19Å; F69-W73 HydrophobicContact CG-CZ2 4.38Å; F69-W73 AromaticContact CG-CZ3 3.76Å; F69-W73 HydrophobicContact CG-CZ3 3.76Å; F69-W73 AromaticContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CZ2 4Å; F69-W73 HydrophobicContact CZ-CZ3 4.13Å; F69-Q79 HydrophobicContact CE1-CB 4.31Å; F69-Q79 WeakPolarHBondContact CE1-O 3.19Å; F69-Q79 WeakPolarHBondContact CZ-O 3.48Å; F69-P81 HydrophobicContact CE1-CB 4.23Å; F69-P100 VanDerWaalsContact O-CD 3.27Å; F69-P100 WeakPolarHBondContact O-CD 3.3Å; F69-P100 WeakPolarHBondContact O-CG 3.29Å
70P85.8Confident81.3Confident52 Ų5282.3 Ų82.334%0.33845%0.445SS..  trans-54.4147169.3-21.831.6000111.3S72 W73 Y85P70-S72 PolarHBondContact O-N 3.45Å; P70-S72 VanDerWaalsContact O-N 3.12Å; P70-W73 WeakPolarHBondContact O-CB 3.27Å; P70-W73 PolarHBondContact O-N 3.37Å; P70-Y85 WeakPolarHBondContact CA-OH 3.26Å; P70-Y85 HydrophobicContact CG-CE2 3.91Å
71A79.8Confident81.2Confident48 Ų4880.1 Ų80.140%0.39743%0.432SS..THydrogen-bonded Turntrans-59.1-27.4-179.300000114.1W73 P100A71-W73 PolarHBondContact O-N 3.13Å; A71-P100 HydrophobicContact CB-CB 4.32Å; A71-P100 HydrophobicContact CB-CG 4.36Å
72S75.1Confident81Confident104 Ų10480.7 Ų80.773%0.72743%0.428SS*.THydrogen-bonded Turntrans-74.7-8176.754.90000113.5P70 Q74P70-S72 PolarHBondContact O-N 3.45Å; P70-S72 VanDerWaalsContact O-N 3.12Å; S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 VanDerWaalsContact O-N 3.15Å
73W70.4Confident80.8Confident48 Ų4886 Ų8618%0.18245%0.445CS..  trans-73.7108.6-176.7-17072.9000111F69 P70 A71 G75 Q77F69-W73 HydrophobicContact CB-CB 3.88Å; F69-W73 HydrophobicContact CB-CD2 3.8Å; F69-W73 HydrophobicContact CB-CE3 3.65Å; F69-W73 HydrophobicContact CB-CG 3.94Å; F69-W73 HydrophobicContact CB-CZ3 4.38Å; F69-W73 AromaticContact CD1-CD2 3.97Å; F69-W73 HydrophobicContact CD1-CD2 3.97Å; F69-W73 AromaticContact CD1-CE2 4Å; F69-W73 HydrophobicContact CD1-CE3 4.18Å; F69-W73 HydrophobicContact CD1-CG 4.41Å; F69-W73 HydrophobicContact CD1-CH2 4.39Å; F69-W73 HydrophobicContact CD1-CZ2 4.21Å; F69-W73 HydrophobicContact CD1-CZ3 4.38Å; F69-W73 HydrophobicContact CD2-CD2 4.1Å; F69-W73 AromaticContact CD2-CE3 3.44Å; F69-W73 HydrophobicContact CD2-CE3 3.44Å; F69-W73 VanDerWaalsContact CD2-CE3 3.44Å; F69-W73 AromaticContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CZ2 4.38Å; F69-W73 AromaticContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CE1-CH2 4.18Å; F69-W73 HydrophobicContact CE1-CZ2 4.03Å; F69-W73 HydrophobicContact CE2-CE3 4.09Å; F69-W73 AromaticContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CH2 3.5Å; F69-W73 VanDerWaalsContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CZ2 4.18Å; F69-W73 AromaticContact CE2-CZ3 3.46Å; F69-W73 HydrophobicContact CE2-CZ3 3.46Å; F69-W73 VanDerWaalsContact CE2-CZ3 3.46Å; F69-W73 AromaticContact CG-CD2 3.68Å; F69-W73 HydrophobicContact CG-CD2 3.68Å; F69-W73 AromaticContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CE3 3.48Å; F69-W73 VanDerWaalsContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CG 4.24Å; F69-W73 HydrophobicContact CG-CH2 4.19Å; F69-W73 HydrophobicContact CG-CZ2 4.38Å; F69-W73 AromaticContact CG-CZ3 3.76Å; F69-W73 HydrophobicContact CG-CZ3 3.76Å; F69-W73 AromaticContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CZ2 4Å; F69-W73 HydrophobicContact CZ-CZ3 4.13Å; P70-W73 WeakPolarHBondContact O-CB 3.27Å; P70-W73 PolarHBondContact O-N 3.37Å; A71-W73 PolarHBondContact O-N 3.13Å; W73-G75 WeakPolarHBondContact CH2-O 3.36Å; W73-G75 WeakPolarHBondContact CZ2-O 3.44Å; W73-Q77 WeakPolarHBondContact CZ2-O 3.11Å
74Q66.3Low80.7Confident179 Ų17986.5 Ų86.584%0.83644%0.444SS*.  trans-106.84.2172-62.5-177.52.400112.2S72S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 VanDerWaalsContact O-N 3.15Å
75G58.5Low80.6Confident32 Ų3287.2 Ų87.233%0.3345%0.447SS..  trans-73.9133.4-165.600000114W73 Q77W73-G75 WeakPolarHBondContact CH2-O 3.36Å; W73-G75 WeakPolarHBondContact CZ2-O 3.44Å; G75-Q77 VanDerWaalsContact C-N 3.27Å
76E58.7Low80.6Confident194 Ų19483.9 Ų83.991%0.90742%0.422SS*.  trans-73-19.4166.8-74.9-177.9150.800113R78E76-R78 PolarHBondContact O-N 3.25Å
77Q59.5Low80.6Confident152 Ų15285.1 Ų85.171%0.7143%0.429SS*.SBendtrans-66129.5-176.8-71.1-140.4-1400111W73 G75 Q79W73-Q77 WeakPolarHBondContact CZ2-O 3.11Å; G75-Q77 VanDerWaalsContact C-N 3.27Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.16Å
78R63.7Low80.5Confident245 Ų24584 Ų8493%0.92543%0.426SS*.  trans-60.492.1169.9-75.8-174.4-179.4179.8-0.7109.1E76E76-R78 PolarHBondContact O-N 3.25Å
79Q73.4Confident80.3Confident112 Ų11290.9 Ų90.952%0.52346%0.458SS..PPolyproline II helixtrans-98.3140.4165.1-78.1-173.32600108.9F69 Q77F69-Q79 HydrophobicContact CE1-CB 4.31Å; F69-Q79 WeakPolarHBondContact CE1-O 3.19Å; F69-Q79 WeakPolarHBondContact CZ-O 3.48Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.16Å
80T82.2Confident80.4Confident118 Ų11898.4 Ų98.472%0.72449%0.486SS*.PPolyproline II helixtrans-71.1131168.6-48.90000108
81P87.3Confident80.7Confident13 Ų1399.4 Ų99.48%0.08449%0.486CS..PPolyproline II helixtrans-60.1144.7175.928-35.7000110C48 R49 F68 F69 V86C48-P81 WeakPolarHBondContact O-CG 3.03Å; R49-P81 WeakPolarHBondContact O-CD 3.33Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-P81 WeakPolarHBondContact O-CB 3.39Å; F69-P81 HydrophobicContact CE1-CB 4.23Å; P81-V86 HydrophobicContact CB-CG2 3.79Å; P81-V86 HydrophobicContact CG-CB 4.22Å; P81-V86 HydrophobicContact CG-CG2 3.6Å
82S89Confident81.3Confident59 Ų59101.8 Ų101.841%0.41351%0.506SS..PPolyproline II helixtrans-71.2161.3178.1810000110.7E84 Y85 V86S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 3.17Å; S82-Y85 PolarHBondContact O-N 3.43Å; S82-Y85 VanDerWaalsContact OG-CD2 3.26Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.49Å; S82-V86 PolarHBondContact O-N 2.89Å
83R90.3Very high82.2Confident138 Ų13898.4 Ų98.452%0.52149%0.487SS..THydrogen-bonded Turntrans-58.5-24.4177.1-173.2178.5174.1157.68.4113.4Y85 V86 D87 E89R83-Y85 PolarHBondContact O-N 3.04Å; R83-V86 WeakPolarHBondContact CA-O 3.21Å; R83-V86 CarbonylContact O-C 3.56Å; R83-D87 HydrophobicContact CG-CB 4.24Å; R83-D87 IonicContact CZ-OD2 2.68Å; R83-D87 IonicContact NE-OD1 2.67Å; R83-D87 IonicContact NE-OD2 3.5Å; R83-D87 PolarHBondContact NE-OD2 3.26Å; R83-D87 VanDerWaalsContact NE-OD2 3.09Å; R83-D87 IonicContact NH2-OD1 3.08Å; R83-D87 IonicContact NH2-OD2 2.98Å; R83-E89 IonicContact CZ-OE2 2.62Å; R83-E89 IonicContact NH1-OE2 2.68Å; R83-E89 PolarHBondContact NH1-OE2 3.33Å; R83-E89 IonicContact NH2-OE2 3.31Å; R83-E89 PolarHBondContact NH2-OE2 2.89Å
84E92Very high83.4Confident113 Ų11398 Ų9853%0.52849%0.487SS..THydrogen-bonded Turntrans-62.6-33.2175-167.6-163.9156.200112.3S82 K98S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 3.17Å; E84-K98 IonicContact OE1-NZ 2.72Å; E84-K98 PolarHBondContact OE1-NZ 3.35Å
85Y93.3Very high84.8Confident26 Ų2689.5 Ų89.510%0.10245%0.447CS..THydrogen-bonded Turntrans-97.1-28.1-179.2-59.5-87000113.1F68 P70 S82 R83 L97 K98 P100F68-Y85 WeakPolarHBondContact O-CB 3.48Å; P70-Y85 WeakPolarHBondContact CA-OH 3.26Å; P70-Y85 HydrophobicContact CG-CE2 3.91Å; S82-Y85 PolarHBondContact O-N 3.43Å; S82-Y85 VanDerWaalsContact OG-CD2 3.26Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.49Å; R83-Y85 PolarHBondContact O-N 3.04Å; Y85-L97 CarbonylContact O-C 3.49Å; Y85-L97 VanDerWaalsContact O-CA 3.28Å; Y85-L97 WeakPolarHBondContact O-CA 3.25Å; Y85-K98 HydrophobicContact CD1-CB 4.46Å; Y85-K98 HydrophobicContact CD1-CG 4.43Å; Y85-K98 WeakPolarHBondContact CD1-O 3.4Å; Y85-K98 PolarHBondContact O-N 3.12Å; Y85-P100 HydrophobicContact CE1-CG 4.04Å
86V94.5Very high86.6Confident17 Ų1789.7 Ų89.710%0.10344%0.438CS..EExtended strand (participates in β ladder)trans-137.8104.9179-175.80000110C48 F68 P81 S82 R83 L88 V95 L97C48-V86 HydrophobicContact CB-CG1 4.24Å; F68-V86 HydrophobicContact CB-CG2 3.6Å; F68-V86 HydrophobicContact CD2-CG2 3.76Å; F68-V86 HydrophobicContact CG-CG2 3.73Å; P81-V86 HydrophobicContact CB-CG2 3.79Å; P81-V86 HydrophobicContact CG-CB 4.22Å; P81-V86 HydrophobicContact CG-CG2 3.6Å; S82-V86 PolarHBondContact O-N 2.89Å; R83-V86 WeakPolarHBondContact CA-O 3.21Å; R83-V86 CarbonylContact O-C 3.56Å; V86-L88 HydrophobicContact CG1-CG 4.45Å; V86-V95 HydrophobicContact CG1-CG2 3.81Å; V86-L97 HydrophobicContact CB-CD2 4.17Å; V86-L97 HydrophobicContact CG1-CD2 3.94Å; V86-L97 HydrophobicContact CG2-CD2 3.78Å
87D94.4Very high88.4Confident29 Ų2980.8 Ų80.816%0.15540%0.397CS..EExtended strand (participates in β ladder)trans-113.3110176.2-164.8-28.1000110.8R83 E89 R90 Y96R83-D87 HydrophobicContact CG-CB 4.24Å; R83-D87 IonicContact CZ-OD2 2.68Å; R83-D87 IonicContact NE-OD1 2.67Å; R83-D87 IonicContact NE-OD2 3.5Å; R83-D87 PolarHBondContact NE-OD2 3.26Å; R83-D87 VanDerWaalsContact NE-OD2 3.09Å; R83-D87 IonicContact NH2-OD1 3.08Å; R83-D87 IonicContact NH2-OD2 2.98Å; D87-E89 WeakPolarHBondContact OD1-CA 3.22Å; D87-E89 PolarHBondContact OD1-N 2.81Å; D87-R90 PolarHBondContact OD1-N 2.91Å; D87-Y96 PolarHBondContact N-O 3.39Å; D87-Y96 PolarHBondContact O-N 3.15Å
88L91.4Very high90.2Very high76 Ų7675.6 Ų75.640%0.39837%0.372SS..SBendtrans-96.2-9.5176.3-71161000113V86 V95 L116V86-L88 HydrophobicContact CG1-CG 4.45Å; L88-V95 HydrophobicContact CD2-CB 3.68Å; L88-V95 HydrophobicContact CD2-CG2 3.61Å; L88-V95 HydrophobicContact CG-CG2 4Å; L88-L116 HydrophobicContact CD2-CD1 4.07Å; L88-L116 HydrophobicContact CD2-CD2 4.31Å
89E90.1Very high91.7Very high145 Ų14563.9 Ų63.968%0.67833%0.328SS*.SBendtrans-97.5-21.7-173.6-69.4-178.1-17200112.3R83 D87 E91R83-E89 IonicContact CZ-OE2 2.62Å; R83-E89 IonicContact NH1-OE2 2.68Å; R83-E89 PolarHBondContact NH1-OE2 3.33Å; R83-E89 IonicContact NH2-OE2 3.31Å; R83-E89 PolarHBondContact NH2-OE2 2.89Å; D87-E89 WeakPolarHBondContact OD1-CA 3.22Å; D87-E89 PolarHBondContact OD1-N 2.81Å; E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.18Å
90R91.9Very high92.7Very high167 Ų16759.4 Ų59.463%0.6331%0.308SS*.SBendtrans-57.7-40.4-178178.4171.2173.4-171.80.1113.4D87 Y96D87-R90 PolarHBondContact OD1-N 2.91Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.01Å; R90-Y96 HydrophobicContact CB-CG 4.49Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.68Å; R90-Y96 HydrophobicContact CG-CG 4.43Å
91E92.9Very high93.2Very high72 Ų7255 Ų5534%0.33628%0.28SS..SBendtrans-150.1129.1177.5-165.5179.7150.700110.7E89 G93 K94 Y96E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.18Å; E91-G93 PolarHBondContact O-N 3.15Å; E91-K94 HydrophobicContact CB-CB 4.38Å; E91-K94 HydrophobicContact CG-CD 4.31Å; E91-K94 PolarHBondContact O-N 3.36Å; E91-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 VanDerWaalsContact O-O 3.14Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 WeakPolarHBondContact OE1-CE 3.2Å; E91-K94 IonicContact OE1-NZ 3.34Å; E91-K94 PolarHBondContact OE1-NZ 3.44Å; E91-K94 IonicContact OE2-NZ 3.51Å; E91-Y96 HydrophobicContact CB-CE2 3.78Å; E91-Y96 PolarHBondContact OE2-OH 2.93Å
92A91.8Very high93.4Very high98 Ų9856.8 Ų56.881%0.8129%0.288SS*.THydrogen-bonded Turntrans-61.8131.4-177.300000111.4K94A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.43Å
93G93.7Very high93.5Very high33 Ų3355.1 Ų55.134%0.3427%0.274SS..THydrogen-bonded Turntrans82-3-178.900000114.6E91 L116E91-G93 PolarHBondContact O-N 3.15Å; G93-L116 WeakPolarHBondContact O-CB 3.42Å; G93-L116 WeakPolarHBondContact O-CG 3.31Å; G93-L116 PolarHBondContact O-N 2.94Å
94K96.5Very high93.5Very high40 Ų4052.6 Ų52.617%0.17427%0.271CS..EExtended strand (participates in β ladder)trans-120.9155.2175.7-64.1179.9-175.1167.50111.3E91 A92 Y96 W113 I114E91-K94 HydrophobicContact CB-CB 4.38Å; E91-K94 HydrophobicContact CG-CD 4.31Å; E91-K94 PolarHBondContact O-N 3.36Å; E91-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 VanDerWaalsContact O-O 3.14Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 WeakPolarHBondContact OE1-CE 3.2Å; E91-K94 IonicContact OE1-NZ 3.34Å; E91-K94 PolarHBondContact OE1-NZ 3.44Å; E91-K94 IonicContact OE2-NZ 3.51Å; A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.43Å; K94-Y96 HydrophobicContact CB-CE2 4.46Å; K94-W113 HydrophobicContact CD-CD2 4.08Å; K94-W113 HydrophobicContact CD-CE3 3.57Å; K94-W113 HydrophobicContact CD-CZ3 3.89Å; K94-W113 HydrophobicContact CG-CE3 4.1Å; K94-W113 HydrophobicContact CG-CZ3 4.45Å; K94-I114 CarbonylContact C-O 3.54Å; K94-I114 WeakPolarHBondContact CA-O 3.44Å
95V95.9Very high93.5Very high0 Ų047.7 Ų47.70%025%0.251CS..EExtended strand (participates in β ladder)trans-119.2125169.262.60000108.9F44 V86 L88 L97 W113 I114 L116F44-V95 HydrophobicContact CE1-CG1 3.71Å; F44-V95 HydrophobicContact CZ-CG1 3.75Å; V86-V95 HydrophobicContact CG1-CG2 3.81Å; L88-V95 HydrophobicContact CD2-CB 3.68Å; L88-V95 HydrophobicContact CD2-CG2 3.61Å; L88-V95 HydrophobicContact CG-CG2 4Å; V95-L97 HydrophobicContact CG1-CD1 3.98Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.06Å; V95-L97 HydrophobicContact CG2-CD2 3.61Å; V95-L97 HydrophobicContact CG2-CG 3.9Å; V95-W113 CarbonylContact O-C 3.58Å; V95-W113 WeakPolarHBondContact O-CA 3.41Å; V95-I114 HydrophobicContact CG1-CB 4.05Å; V95-I114 PolarHBondContact N-O 3.22Å; V95-I114 PolarHBondContact O-N 3.26Å; V95-L116 HydrophobicContact CB-CD2 4.03Å; V95-L116 HydrophobicContact CG1-CD2 3.85Å
96Y96.9Very high93.5Very high37 Ų3746.5 Ų46.515%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-91.2130.9171-72.1-100.7000108.7D87 R90 E91 K94 G112 W113D87-Y96 PolarHBondContact N-O 3.39Å; D87-Y96 PolarHBondContact O-N 3.15Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.01Å; R90-Y96 HydrophobicContact CB-CG 4.49Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.68Å; R90-Y96 HydrophobicContact CG-CG 4.43Å; E91-Y96 HydrophobicContact CB-CE2 3.78Å; E91-Y96 PolarHBondContact OE2-OH 2.93Å; K94-Y96 HydrophobicContact CB-CE2 4.46Å; Y96-G112 WeakPolarHBondContact CA-O 3.13Å; Y96-W113 HydrophobicContact CD1-CB 3.71Å; Y96-W113 HydrophobicContact CD1-CG 4.47Å; Y96-W113 HydrophobicContact CD2-CB 4.28Å; Y96-W113 HydrophobicContact CE1-CB 3.75Å; Y96-W113 AromaticContact CE1-CD1 3.92Å; Y96-W113 HydrophobicContact CE1-CG 4.06Å; Y96-W113 HydrophobicContact CE2-CB 4.3Å; Y96-W113 HydrophobicContact CG-CB 4Å
97L96.4Very high93.5Very high6 Ų645.7 Ų45.73%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-130.7140.2-167.8-67173.1000109.2F44 F68 Y85 V86 V95 W110 K111 G112 I114F44-L97 HydrophobicContact CZ-CD1 4.11Å; F68-L97 HydrophobicContact CD1-CB 4.49Å; F68-L97 HydrophobicContact CD1-CD2 4.2Å; F68-L97 HydrophobicContact CD2-CD2 4.27Å; F68-L97 HydrophobicContact CE1-CB 3.97Å; F68-L97 HydrophobicContact CE1-CD1 4.07Å; F68-L97 HydrophobicContact CE1-CD2 3.89Å; F68-L97 HydrophobicContact CE1-CG 4.2Å; F68-L97 HydrophobicContact CE2-CD2 4Å; F68-L97 HydrophobicContact CG-CD2 4.4Å; F68-L97 HydrophobicContact CZ-CB 4.48Å; F68-L97 HydrophobicContact CZ-CD1 3.75Å; F68-L97 HydrophobicContact CZ-CD2 3.8Å; F68-L97 HydrophobicContact CZ-CG 4.23Å; Y85-L97 CarbonylContact O-C 3.49Å; Y85-L97 VanDerWaalsContact O-CA 3.28Å; Y85-L97 WeakPolarHBondContact O-CA 3.25Å; V86-L97 HydrophobicContact CB-CD2 4.17Å; V86-L97 HydrophobicContact CG1-CD2 3.94Å; V86-L97 HydrophobicContact CG2-CD2 3.78Å; V95-L97 HydrophobicContact CG1-CD1 3.98Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.06Å; V95-L97 HydrophobicContact CG2-CD2 3.61Å; V95-L97 HydrophobicContact CG2-CG 3.9Å; L97-W110 HydrophobicContact CB-CH2 3.98Å; L97-W110 HydrophobicContact CB-CZ3 3.43Å; L97-W110 VanDerWaalsContact CB-CZ3 3.43Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 WeakPolarHBondContact O-CZ3 3.39Å; L97-K111 WeakPolarHBondContact O-CA 3.37Å; L97-G112 PolarHBondContact N-O 3.15Å; L97-G112 PolarHBondContact O-N 2.79Å; L97-I114 HydrophobicContact CD1-CD1 4.01Å; L97-I114 HydrophobicContact CD1-CG1 4.45Å
98K96.1Very high93.5Very high43 Ų4344.3 Ų44.319%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-131.4133.7173.9179.1-174.6176.4-172.30108.1E84 Y85 I109 W110 K111E84-K98 IonicContact OE1-NZ 2.72Å; E84-K98 PolarHBondContact OE1-NZ 3.35Å; Y85-K98 HydrophobicContact CD1-CB 4.46Å; Y85-K98 HydrophobicContact CD1-CG 4.43Å; Y85-K98 WeakPolarHBondContact CD1-O 3.4Å; Y85-K98 PolarHBondContact O-N 3.12Å; K98-I109 HydrophobicContact CD-CG2 4.22Å; K98-I109 HydrophobicContact CG-CG2 3.51Å; K98-W110 CarbonylContact C-O 3.59Å; K98-W110 VanDerWaalsContact CA-O 3.32Å; K98-W110 WeakPolarHBondContact CA-O 3.22Å; K98-K111 HydrophobicContact CB-CG 4.47Å; K98-K111 HydrophobicContact CG-CG 4.15Å
99A95.4Very high93.8Very high0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-143.7108.3-177.300000111L66 Q67 F68 M101 W110L66-A99 HydrophobicContact CB-CB 3.91Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.41Å; Q67-A99 WeakPolarHBondContact O-CB 3.19Å; F68-A99 HydrophobicContact CD1-CB 4.11Å; F68-A99 HydrophobicContact CE1-CB 4.32Å; A99-M101 HydrophobicContact CB-CE 4.42Å; A99-W110 HydrophobicContact CB-CB 4.42Å; A99-W110 HydrophobicContact CB-CE3 4.36Å; A99-W110 PolarHBondContact N-O 3.5Å; A99-W110 PolarHBondContact O-N 3.33Å
100P94.3Very high94.1Very high17 Ų1734.8 Ų34.811%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-77.4135.7175.632.5-33.4000110.5F69 A71 Y85 I109 R131F69-P100 VanDerWaalsContact O-CD 3.27Å; F69-P100 WeakPolarHBondContact O-CD 3.3Å; F69-P100 WeakPolarHBondContact O-CG 3.29Å; A71-P100 HydrophobicContact CB-CB 4.32Å; A71-P100 HydrophobicContact CB-CG 4.36Å; Y85-P100 HydrophobicContact CE1-CG 4.04Å; P100-I109 HydrophobicContact CB-CG1 4.33Å; P100-R131 VanDerWaalsContact C-NH1 3.33Å
101M92.2Very high94.3Very high27 Ų2730.1 Ų30.113%0.13317%0.172CC..EExtended strand (participates in β ladder)trans-152.9167.5178.559.2179.466.300113.3L64 L66 A99 V108 R131L64-M101 HydrophobicContact CD1-SD 4.39Å; L64-M101 HydrophobicContact CD2-SD 4.44Å; L66-M101 HydrophobicContact CD2-CE 3.39Å; A99-M101 HydrophobicContact CB-CE 4.42Å; M101-V108 HydrophobicContact CG-CG2 3.77Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.79Å; M101-R131 PolarHBondContact O-NH1 2.63Å
102I91.9Very high94.5Very high49 Ų4927.3 Ų27.325%0.25116%0.162SC..EExtended strand (participates in β ladder)trans-106.5113.8168-63.9166000106.9R3 V4 V106 E135R3-I102 HydrophobicContact CB-CD1 4.09Å; R3-I102 WeakPolarHBondContact O-CG2 3.39Å; V4-I102 HydrophobicContact CG1-CD1 4.05Å; V4-I102 HydrophobicContact CG1-CG1 4.36Å; V4-I102 HydrophobicContact CG1-CG2 4.13Å; I102-V106 CarbonylContact C-O 3.6Å; I102-V106 WeakPolarHBondContact CA-O 3.32Å; I102-E135 HydrophobicContact CD1-CG 4.32Å
103L91.9Very high94.8Very high25 Ų2525.2 Ų25.213%0.13113%0.134CC..EExtended strand (participates in β ladder)trans-113.9125179.7-173.762.9000108.5F17 F18 L21 L64 G105 V106 V108 L125F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.02Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F17-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 HydrophobicContact CE1-CB 4.26Å; F18-L103 HydrophobicContact CE1-CD2 4.09Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 WeakPolarHBondContact CZ-O 3.4Å; L21-L103 HydrophobicContact CD1-CD2 4.5Å; L64-L103 HydrophobicContact CD2-CD1 4.02Å; L64-L103 HydrophobicContact CD2-CD2 4.23Å; L103-G105 PolarHBondContact O-N 3.01Å; L103-V106 PolarHBondContact N-O 3.11Å; L103-V106 PolarHBondContact O-N 3.01Å; L103-V108 HydrophobicContact CB-CG2 3.94Å; L103-L125 HydrophobicContact CD2-CD1 3.63Å
104N89.8Confident94.9Very high85 Ų8523.7 Ų23.746%0.45512%0.117SC..THydrogen-bonded Turntrans4832.1-176.9-62.1-14.8000114.2K11 F18K11-N104 PolarHBondContact NZ-O 3.01Å; F18-N104 HydrophobicContact CE2-CB 4.44Å; F18-N104 HydrophobicContact CZ-CB 4.11Å
105G91.3Very high95Very high10 Ų1023.3 Ų23.310%0.10312%0.117CC..THydrogen-bonded Turntrans79.712.9-177.400000115.8R3 V4 V5 L103R3-G105 WeakPolarHBondContact O-CA 3.19Å; V4-G105 CarbonylContact C-O 3.54Å; V4-G105 WeakPolarHBondContact CA-O 3.48Å; V4-G105 WeakPolarHBondContact CB-O 3.39Å; V5-G105 WeakPolarHBondContact CG2-O 3.36Å; V5-G105 PolarHBondContact N-O 3.48Å; L103-G105 PolarHBondContact O-N 3.01Å
106V94.1Very high95Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-111.7127.6175.2-177.80000109.1V5 Q8 K11 F12 F18 I102 L103 V108 F127V5-V106 HydrophobicContact CG2-CG2 4.25Å; Q8-V106 HydrophobicContact CB-CG1 4.28Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.94Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.13Å; F18-V106 HydrophobicContact CD2-CG2 4.48Å; F18-V106 HydrophobicContact CE1-CB 4.16Å; F18-V106 HydrophobicContact CE1-CG2 4.49Å; F18-V106 HydrophobicContact CE2-CB 4.16Å; F18-V106 HydrophobicContact CE2-CG2 3.61Å; F18-V106 HydrophobicContact CZ-CB 3.67Å; F18-V106 HydrophobicContact CZ-CG1 4.37Å; F18-V106 HydrophobicContact CZ-CG2 3.62Å; I102-V106 CarbonylContact C-O 3.6Å; I102-V106 WeakPolarHBondContact CA-O 3.32Å; L103-V106 PolarHBondContact N-O 3.11Å; L103-V106 PolarHBondContact O-N 3.01Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 3.14Å; V106-F127 HydrophobicContact CG1-CD2 3.94Å; V106-F127 HydrophobicContact CG1-CE2 3.96Å
107C94.4Very high94.8Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-69.5116.7170.2-65.70000109.8Q8 F127 D128 R131 A132Q8-C107 PolarHBondContact OE1-SG 3.33Å; C107-F127 WeakPolarHBondContact O-CD2 3.32Å; C107-D128 HydrophobicContact CB-CB 4.12Å; C107-D128 PolarHBondContact O-N 3.18Å; C107-D128 VanDerWaalsContact O-N 3.08Å; C107-R131 HydrophobicContact CB-CB 4.23Å; C107-R131 HydrophobicContact CB-CG 4.17Å; C107-A132 HydrophobicContact CB-CB 4.05Å
108V95.4Very high94.8Very high0 Ų036.5 Ų36.50%017%0.174CC..EExtended strand (participates in β ladder)trans-133.9154.9179.8-62.90000110.5F12 F18 M101 L103 V106 L125 E126F12-V108 HydrophobicContact CD2-CG1 3.75Å; F12-V108 HydrophobicContact CE2-CG1 3.73Å; F18-V108 HydrophobicContact CD1-CG1 4.4Å; F18-V108 HydrophobicContact CE1-CG1 4.09Å; M101-V108 HydrophobicContact CG-CG2 3.77Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.79Å; L103-V108 HydrophobicContact CB-CG2 3.94Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 3.14Å; V108-L125 HydrophobicContact CB-CD2 4.49Å; V108-L125 HydrophobicContact CG2-CD1 4.42Å; V108-L125 HydrophobicContact CG2-CD2 4.06Å; V108-E126 CarbonylContact C-O 3.48Å; V108-E126 WeakPolarHBondContact CA-O 3.38Å; V108-E126 WeakPolarHBondContact CB-O 3.48Å
109I96.3Very high94.8Very high22 Ų2234.7 Ų34.711%0.11317%0.166CC..EExtended strand (participates in β ladder)trans-112.6117.9169-59.7169.9000106.9K98 P100 K111 E126 D128K98-I109 HydrophobicContact CD-CG2 4.22Å; K98-I109 HydrophobicContact CG-CG2 3.51Å; P100-I109 HydrophobicContact CB-CG1 4.33Å; I109-K111 HydrophobicContact CG2-CG 3.93Å; I109-E126 PolarHBondContact N-O 2.8Å; I109-E126 PolarHBondContact O-N 2.84Å; I109-D128 HydrophobicContact CD1-CB 4.16Å; I109-D128 HydrophobicContact CG1-CB 3.93Å
110W96.6Very high94.9Very high0 Ų035.8 Ų35.80%017%0.172CC..EExtended strand (participates in β ladder)trans-76.1133.2165.8-178.191.5000109I27 F57 L66 L97 K98 A99 C124 L125I27-W110 HydrophobicContact CD1-CZ2 4.01Å; I27-W110 HydrophobicContact CG1-CZ2 4.33Å; F57-W110 AromaticContact CE2-CD1 3.99Å; F57-W110 AromaticContact CE2-NE1 3.97Å; F57-W110 AromaticContact CZ-CD1 3.82Å; F57-W110 AromaticContact CZ-NE1 3.69Å; L66-W110 HydrophobicContact CD1-CD2 3.79Å; L66-W110 HydrophobicContact CD1-CE3 3.5Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.15Å; L66-W110 HydrophobicContact CD1-CZ3 3.56Å; L66-W110 HydrophobicContact CD2-CB 4.2Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.32Å; L66-W110 HydrophobicContact CD2-CG 4Å; L97-W110 HydrophobicContact CB-CH2 3.98Å; L97-W110 HydrophobicContact CB-CZ3 3.43Å; L97-W110 VanDerWaalsContact CB-CZ3 3.43Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 WeakPolarHBondContact O-CZ3 3.39Å; K98-W110 CarbonylContact C-O 3.59Å; K98-W110 VanDerWaalsContact CA-O 3.32Å; K98-W110 WeakPolarHBondContact CA-O 3.22Å; A99-W110 HydrophobicContact CB-CB 4.42Å; A99-W110 HydrophobicContact CB-CE3 4.36Å; A99-W110 PolarHBondContact N-O 3.5Å; A99-W110 PolarHBondContact O-N 3.33Å; W110-C124 WeakPolarHBondContact CA-O 3.32Å; W110-L125 HydrophobicContact CB-CD2 3.72Å; W110-L125 HydrophobicContact CG-CD2 4.18Å
111K96.7Very high95.1Very high69 Ų6935.2 Ų35.230%0.317%0.169SC..EExtended strand (participates in β ladder)trans-132.7142.4173.6-69.1-175.3-175.2166.60109.4L97 K98 I109 G123 C124 E126L97-K111 WeakPolarHBondContact O-CA 3.37Å; K98-K111 HydrophobicContact CB-CG 4.47Å; K98-K111 HydrophobicContact CG-CG 4.15Å; I109-K111 HydrophobicContact CG2-CG 3.93Å; K111-G123 CarbonylContact O-C 3.42Å; K111-G123 WeakPolarHBondContact O-CA 3.19Å; K111-C124 PolarHBondContact N-O 3.03Å; K111-C124 PolarHBondContact O-N 3.45Å; K111-E126 WeakPolarHBondContact CE-OE2 3.32Å; K111-E126 IonicContact NZ-OE1 3.73Å; K111-E126 IonicContact NZ-OE2 3.74Å; K111-E126 PolarHBondContact NZ-OE2 2.83Å
112G97Very high95.3Very high12 Ų1237.2 Ų37.212%0.12418%0.179CC..EExtended strand (participates in β ladder)trans179.7-175.7176.600000112.8Y96 L97 M122Y96-G112 WeakPolarHBondContact CA-O 3.13Å; L97-G112 PolarHBondContact N-O 3.15Å; L97-G112 PolarHBondContact O-N 2.79Å; G112-M122 CarbonylContact C-O 3.51Å; G112-M122 WeakPolarHBondContact CA-O 3.49Å
113W97.2Very high95.6Very high55 Ų5535 Ų3521%0.20817%0.168CC..EExtended strand (participates in β ladder)trans-132.4151171.260.2-93000110.5K94 V95 Y96 D115 G121 M122K94-W113 HydrophobicContact CD-CD2 4.08Å; K94-W113 HydrophobicContact CD-CE3 3.57Å; K94-W113 HydrophobicContact CD-CZ3 3.89Å; K94-W113 HydrophobicContact CG-CE3 4.1Å; K94-W113 HydrophobicContact CG-CZ3 4.45Å; V95-W113 CarbonylContact O-C 3.58Å; V95-W113 WeakPolarHBondContact O-CA 3.41Å; Y96-W113 HydrophobicContact CD1-CB 3.71Å; Y96-W113 HydrophobicContact CD1-CG 4.47Å; Y96-W113 HydrophobicContact CD2-CB 4.28Å; Y96-W113 HydrophobicContact CE1-CB 3.75Å; Y96-W113 AromaticContact CE1-CD1 3.92Å; Y96-W113 HydrophobicContact CE1-CG 4.06Å; Y96-W113 HydrophobicContact CE2-CB 4.3Å; Y96-W113 HydrophobicContact CG-CB 4Å; W113-D115 HydrophobicContact CZ3-CB 4.46Å; W113-G121 WeakPolarHBondContact O-CA 3.24Å; W113-M122 HydrophobicContact CH2-CG 4.35Å; W113-M122 HydrophobicContact CZ2-CB 3.98Å; W113-M122 HydrophobicContact CZ2-CG 3.56Å; W113-M122 PolarHBondContact N-O 3.08Å; W113-M122 PolarHBondContact O-N 3.48Å
114I97.6Very high95.8Very high0 Ų034.9 Ų34.90%017%0.169CC..EExtended strand (participates in β ladder)trans-129.8133.2176.3-63.6177.3000108.8I27 F44 I55 K94 V95 L97 L116I27-I114 HydrophobicContact CD1-CD1 3.53Å; I27-I114 HydrophobicContact CD1-CG1 3.3Å; F44-I114 HydrophobicContact CD1-CG2 4.38Å; F44-I114 HydrophobicContact CE1-CB 3.92Å; F44-I114 HydrophobicContact CE1-CG2 3.47Å; F44-I114 VanDerWaalsContact CE1-CG2 3.47Å; F44-I114 HydrophobicContact CE2-CD1 3.93Å; F44-I114 HydrophobicContact CZ-CB 3.71Å; F44-I114 HydrophobicContact CZ-CD1 3.58Å; F44-I114 HydrophobicContact CZ-CG1 4.17Å; F44-I114 HydrophobicContact CZ-CG2 3.58Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å; K94-I114 CarbonylContact C-O 3.54Å; K94-I114 WeakPolarHBondContact CA-O 3.44Å; V95-I114 HydrophobicContact CG1-CB 4.05Å; V95-I114 PolarHBondContact N-O 3.22Å; V95-I114 PolarHBondContact O-N 3.26Å; L97-I114 HydrophobicContact CD1-CD1 4.01Å; L97-I114 HydrophobicContact CD1-CG1 4.45Å; I114-L116 PolarHBondContact O-N 3.26Å
115D97.3Very high96.1Very high32 Ų3230.9 Ų30.917%0.17115%0.148CC..EExtended strand (participates in β ladder)trans-70.8123.2169.4-173.6-61.2000109.8W113 Q117 R118 L119 D120W113-D115 HydrophobicContact CZ3-CB 4.46Å; D115-Q117 PolarHBondContact O-N 3.2Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.32Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.39Å; D115-R118 HydrophobicContact CB-CB 4.05Å; D115-R118 PolarHBondContact OD1-N 2.72Å; D115-L119 WeakPolarHBondContact O-CA 3.27Å; D115-L119 PolarHBondContact O-N 2.92Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 3.32Å
116L95.2Very high96.3Very high26 Ų2634.1 Ų34.114%0.13616%0.16CC..THydrogen-bonded Turntrans-67.3-22.8-175.7-66.2176.2000112.9F44 Q45 L88 G93 V95 I114F44-L116 HydrophobicContact CD1-CD2 4.2Å; F44-L116 HydrophobicContact CE1-CD2 3.96Å; Q45-L116 HydrophobicContact CG-CD2 3.98Å; L88-L116 HydrophobicContact CD2-CD1 4.07Å; L88-L116 HydrophobicContact CD2-CD2 4.31Å; G93-L116 WeakPolarHBondContact O-CB 3.42Å; G93-L116 WeakPolarHBondContact O-CG 3.31Å; G93-L116 PolarHBondContact O-N 2.94Å; V95-L116 HydrophobicContact CB-CD2 4.03Å; V95-L116 HydrophobicContact CG1-CD2 3.85Å; I114-L116 PolarHBondContact O-N 3.26Å
117Q94.7Very high96.4Very high135 Ų13536.1 Ų36.163%0.63117%0.169SC*.THydrogen-bonded Turntrans-93.4-48.4178.3-62.4-176.46.400110.9H37 Q41 D115H37-Q117 PolarHBondContact CE1-O 2.91Å; H37-Q117 PolarHBondContact NE2-O 3.47Å; Q41-Q117 PolarHBondContact NE2-O 2.82Å; D115-Q117 PolarHBondContact O-N 3.2Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.32Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.39Å
118R95.6Very high96.4Very high160 Ų16037.3 Ų37.360%0.60418%0.175SC*.THydrogen-bonded Turntrans-81.5-21.8-174.6-65.6173.953.3168.2-1113.5D115 D120D115-R118 HydrophobicContact CB-CB 4.05Å; D115-R118 PolarHBondContact OD1-N 2.72Å; R118-D120 WeakPolarHBondContact CB-OD1 3.42Å; R118-D120 IonicContact CZ-OD1 3.21Å; R118-D120 IonicContact CZ-OD2 3.8Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 2.82Å; R118-D120 PolarHBondContact NE-OD1 3.29Å; R118-D120 VanDerWaalsContact NE-OD1 3.07Å; R118-D120 IonicContact NE-OD2 3.6Å; R118-D120 PolarHBondContact NE-OD2 2.83Å; R118-D120 VanDerWaalsContact NE-OD2 3.08Å; R118-D120 IonicContact NH2-OD1 2.73Å; R118-D120 IonicContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact NH2-OD2 2.72Å; R118-D120 PolarHBondContact O-N 3.24Å
119L96.7Very high96.2Very high5 Ų541.6 Ų41.63%0.02620%0.195CC..SBendtrans60.824.9-176.8-57.3177.3000113.2Y29 R40 Q41 F44 D115Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 HydrophobicContact CD1-CD2 4.32Å; Y29-L119 PolarHBondContact N-O 3.38Å; R40-L119 HydrophobicContact CB-CD1 3.61Å; Q41-L119 HydrophobicContact CG-CD1 4.18Å; Q41-L119 HydrophobicContact CG-CD2 4.44Å; Q41-L119 HydrophobicContact CG-CG 4.27Å; F44-L119 HydrophobicContact CB-CD2 3.83Å; F44-L119 HydrophobicContact CD1-CD2 3.58Å; F44-L119 HydrophobicContact CE1-CD2 4.43Å; F44-L119 HydrophobicContact CG-CD2 3.89Å; D115-L119 WeakPolarHBondContact O-CA 3.27Å; D115-L119 PolarHBondContact O-N 2.92Å
120D97.1Very high95.9Very high23 Ų2347 Ų4712%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-123.5166.6171.263.118.5000109.8I27 K28 D115 R118I27-D120 CarbonylContact O-C 3.5Å; I27-D120 WeakPolarHBondContact O-CA 3.08Å; K28-D120 HydrophobicContact CG-CB 3.96Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 3.32Å; R118-D120 WeakPolarHBondContact CB-OD1 3.42Å; R118-D120 IonicContact CZ-OD1 3.21Å; R118-D120 IonicContact CZ-OD2 3.8Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 2.82Å; R118-D120 PolarHBondContact NE-OD1 3.29Å; R118-D120 VanDerWaalsContact NE-OD1 3.07Å; R118-D120 IonicContact NE-OD2 3.6Å; R118-D120 PolarHBondContact NE-OD2 2.83Å; R118-D120 VanDerWaalsContact NE-OD2 3.08Å; R118-D120 IonicContact NH2-OD1 2.73Å; R118-D120 IonicContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact NH2-OD2 2.72Å; R118-D120 PolarHBondContact O-N 3.24Å
121G97.2Very high95.5Very high4 Ų448.2 Ų48.24%0.04123%0.225CC..EExtended strand (participates in β ladder)trans176.1-154.6178.300000111.9E26 I27 W113E26-G121 WeakPolarHBondContact CA-O 3.43Å; I27-G121 PolarHBondContact N-O 2.91Å; I27-G121 PolarHBondContact O-N 2.8Å; W113-G121 WeakPolarHBondContact O-CA 3.24Å
122M97.7Very high95.2Very high70 Ų7045.2 Ų45.235%0.34521%0.213SC..EExtended strand (participates in β ladder)trans-128.4145.4-179.4-62.6-67.7-172.600110.9E24 C25 E26 G112 W113E24-M122 HydrophobicContact CG-CB 3.76Å; E24-M122 HydrophobicContact CG-CG 4.33Å; E24-M122 WeakPolarHBondContact OE1-CB 3.38Å; C25-M122 WeakPolarHBondContact O-CA 3.43Å; E26-M122 HydrophobicContact CB-SD 4.33Å; G112-M122 CarbonylContact C-O 3.51Å; G112-M122 WeakPolarHBondContact CA-O 3.49Å; W113-M122 HydrophobicContact CH2-CG 4.35Å; W113-M122 HydrophobicContact CZ2-CB 3.98Å; W113-M122 HydrophobicContact CZ2-CG 3.56Å; W113-M122 PolarHBondContact N-O 3.08Å; W113-M122 PolarHBondContact O-N 3.48Å
123G96.9Very high94.8Very high1 Ų150.4 Ų50.41%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-161.1169.1172.600000112.9C25 F57 K111C25-G123 PolarHBondContact N-O 3.45Å; C25-G123 PolarHBondContact O-N 3.05Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å; K111-G123 CarbonylContact O-C 3.42Å; K111-G123 WeakPolarHBondContact O-CA 3.19Å
124C96.5Very high94.3Very high23 Ų2352.9 Ų52.916%0.15525%0.248CC..EExtended strand (participates in β ladder)trans-151.9169177.859.30000111.1L21 W110 K111L21-C124 CarbonylContact O-C 3.47Å; L21-C124 VanDerWaalsContact O-CA 3.24Å; L21-C124 WeakPolarHBondContact O-CA 3.45Å; W110-C124 WeakPolarHBondContact CA-O 3.32Å; K111-C124 PolarHBondContact N-O 3.03Å; K111-C124 PolarHBondContact O-N 3.45Å
125L96.5Very high93.8Very high2 Ų254.6 Ų54.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-100.4134.7169.1-63.4-179.7000110.3F12 F18 L21 S22 L64 L103 V108 W110F12-L125 HydrophobicContact CE2-CB 4.29Å; F18-L125 HydrophobicContact CD1-CD1 4.28Å; L21-L125 HydrophobicContact CB-CB 4.47Å; L21-L125 HydrophobicContact CB-CD1 3.66Å; L21-L125 HydrophobicContact CB-CG 3.99Å; L21-L125 HydrophobicContact CD1-CD1 3.75Å; L21-L125 HydrophobicContact CG-CD1 4.38Å; L21-L125 PolarHBondContact O-N 3.3Å; S22-L125 VanDerWaalsContact CA-O 3.28Å; S22-L125 WeakPolarHBondContact CA-O 3.46Å; S22-L125 WeakPolarHBondContact CB-O 3.35Å; L64-L125 HydrophobicContact CD1-CD2 4.39Å; L103-L125 HydrophobicContact CD2-CD1 3.63Å; V108-L125 HydrophobicContact CB-CD2 4.49Å; V108-L125 HydrophobicContact CG2-CD1 4.42Å; V108-L125 HydrophobicContact CG2-CD2 4.06Å; W110-L125 HydrophobicContact CB-CD2 3.72Å; W110-L125 HydrophobicContact CG-CD2 4.18Å
126E96.6Very high93.3Very high77 Ų7755.1 Ų55.136%0.3626%0.258SS..EExtended strand (participates in β ladder)trans-112.9146.9168.8-67.3-179-174.400109.8V108 I109 K111V108-E126 CarbonylContact C-O 3.48Å; V108-E126 WeakPolarHBondContact CA-O 3.38Å; V108-E126 WeakPolarHBondContact CB-O 3.48Å; I109-E126 PolarHBondContact N-O 2.8Å; I109-E126 PolarHBondContact O-N 2.84Å; K111-E126 WeakPolarHBondContact CE-OE2 3.32Å; K111-E126 IonicContact NZ-OE1 3.73Å; K111-E126 IonicContact NZ-OE2 3.74Å; K111-E126 PolarHBondContact NZ-OE2 2.83Å
127F95.6Very high92.9Very high43 Ų4356 Ų5619%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-73.9131.3175.1-178.2-115.6000110.6Q8 R9 F12 V106 C107 E129 A132Q8-F127 HydrophobicContact CB-CE2 3.84Å; Q8-F127 HydrophobicContact CB-CZ 4.17Å; R9-F127 HydrophobicContact CB-CE1 4.02Å; R9-F127 HydrophobicContact CB-CZ 3.95Å; R9-F127 HydrophobicContact CG-CE1 4.44Å; F12-F127 HydrophobicContact CB-CD2 3.98Å; F12-F127 HydrophobicContact CD1-CB 3.7Å; F12-F127 HydrophobicContact CD1-CG 4.34Å; F12-F127 HydrophobicContact CD2-CB 4.29Å; F12-F127 HydrophobicContact CD2-CD2 4.36Å; F12-F127 HydrophobicContact CE1-CB 3.76Å; F12-F127 HydrophobicContact CE2-CB 4.34Å; F12-F127 HydrophobicContact CG-CB 3.97Å; F12-F127 HydrophobicContact CG-CD2 4.03Å; F12-F127 HydrophobicContact CG-CG 4.31Å; F12-F127 HydrophobicContact CZ-CB 4.09Å; V106-F127 HydrophobicContact CG1-CD2 3.94Å; V106-F127 HydrophobicContact CG1-CE2 3.96Å; C107-F127 WeakPolarHBondContact O-CD2 3.32Å; F127-E129 HydrophobicContact CD1-CB 4.03Å; F127-E129 HydrophobicContact CE1-CB 3.8Å; F127-E129 HydrophobicContact CE1-CG 4.38Å; F127-E129 PolarHBondContact O-N 3.21Å; F127-A132 HydrophobicContact CE1-CB 4.31Å; F127-A132 HydrophobicContact CE2-CB 3.82Å; F127-A132 HydrophobicContact CZ-CB 3.44Å; F127-A132 VanDerWaalsContact CZ-CB 3.44Å
128D94.4Very high92.4Very high24 Ų2454.3 Ų54.313%0.12826%0.264CS..  trans-97.386.3177.4-165.5-20.1000109.5C107 I109 R131 A132C107-D128 HydrophobicContact CB-CB 4.12Å; C107-D128 PolarHBondContact O-N 3.18Å; C107-D128 VanDerWaalsContact O-N 3.08Å; I109-D128 HydrophobicContact CD1-CB 4.16Å; I109-D128 HydrophobicContact CG1-CB 3.93Å; D128-R131 HydrophobicContact CB-CB 4.05Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.28Å; D128-R131 PolarHBondContact OD1-N 3.13Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.49Å; D128-R131 WeakPolarHBondContact OD2-CD 3.45Å; D128-A132 WeakPolarHBondContact O-CB 3.24Å; D128-A132 PolarHBondContact O-N 3.02Å
129E91.6Very high91.8Very high91 Ų9147.4 Ų47.443%0.42524%0.241SC..Hα-helixtrans-63.3-45.4-175.1173.8162-141.200112.8R9 F127 R131 A132 Q133R9-E129 IonicContact CZ-OE1 3.32Å; R9-E129 IonicContact NE-OE1 2.63Å; R9-E129 IonicContact NH2-OE1 3.84Å; R9-E129 PolarHBondContact NH2-OE1 3.44Å; R9-E129 IonicContact NH2-OE2 2.97Å; R9-E129 PolarHBondContact NH2-OE2 2.97Å; F127-E129 HydrophobicContact CD1-CB 4.03Å; F127-E129 HydrophobicContact CE1-CB 3.8Å; F127-E129 HydrophobicContact CE1-CG 4.38Å; F127-E129 PolarHBondContact O-N 3.21Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.96Å; E129-A132 PolarHBondContact O-N 3.25Å; E129-Q133 WeakPolarHBondContact O-CG 3.18Å; E129-Q133 PolarHBondContact O-N 2.94Å
130E90.3Very high91.1Very high135 Ų13551.9 Ų51.963%0.63126%0.262SS*.Hα-helixtrans-60.8-47.1-178.7-172.2-174.6165.400110.3Q133 Q134E130-Q133 PolarHBondContact O-N 3.15Å; E130-Q134 WeakPolarHBondContact O-CG 3.45Å; E130-Q134 PolarHBondContact O-N 3.01Å; E130-Q134 VanDerWaalsContact O-N 3.15Å; E130-Q134 PolarHBondContact OE1-NE2 2.73Å
131R87Confident90.4Very high26 Ų2656 Ų5610%0.09828%0.28CS..Hα-helixtrans-70.9-37.3178.1-171.6-175.2166.2-174.26.6112.6P100 M101 C107 D128 E129 Q133 Q134 E135P100-R131 VanDerWaalsContact C-NH1 3.33Å; M101-R131 PolarHBondContact O-NH1 2.63Å; C107-R131 HydrophobicContact CB-CB 4.23Å; C107-R131 HydrophobicContact CB-CG 4.17Å; D128-R131 HydrophobicContact CB-CB 4.05Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.28Å; D128-R131 PolarHBondContact OD1-N 3.13Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.49Å; D128-R131 WeakPolarHBondContact OD2-CD 3.45Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.96Å; R131-Q133 PolarHBondContact O-N 2.96Å; R131-Q134 PolarHBondContact O-N 2.81Å; R131-E135 HydrophobicContact CG-CG 4.02Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 2.82Å
132A90Very high89.6Confident6 Ų658.5 Ų58.55%0.0530%0.3CS..Hα-helixtrans-57.1-43176.500000110.4Q8 C107 F127 D128 E129 D136Q8-A132 HydrophobicContact CB-CB 4.36Å; Q8-A132 PolarHBondContact NE2-O 3.21Å; C107-A132 HydrophobicContact CB-CB 4.05Å; F127-A132 HydrophobicContact CE1-CB 4.31Å; F127-A132 HydrophobicContact CE2-CB 3.82Å; F127-A132 HydrophobicContact CZ-CB 3.44Å; F127-A132 VanDerWaalsContact CZ-CB 3.44Å; D128-A132 WeakPolarHBondContact O-CB 3.24Å; D128-A132 PolarHBondContact O-N 3.02Å; E129-A132 PolarHBondContact O-N 3.25Å; A132-D136 WeakPolarHBondContact O-CB 3.16Å; A132-D136 PolarHBondContact O-N 2.75Å
133Q89.2Confident88.6Confident121 Ų12161.3 Ų61.357%0.56531%0.311SS*.Hα-helixtrans-64.7-44.8175.6-68.7173.316.600112.2E129 E130 R131 D136 A137E129-Q133 WeakPolarHBondContact O-CG 3.18Å; E129-Q133 PolarHBondContact O-N 2.94Å; E130-Q133 PolarHBondContact O-N 3.15Å; R131-Q133 PolarHBondContact O-N 2.96Å; Q133-D136 PolarHBondContact O-N 3.48Å; Q133-A137 WeakPolarHBondContact O-CB 3.3Å; Q133-A137 PolarHBondContact O-N 3.17Å
134Q87.5Confident87.7Confident107 Ų10767.4 Ų67.450%0.534%0.339SS..Hα-helixtrans-63.1-48.4179.1-69.4173.215.400112.1E130 R131 A137 L138E130-Q134 WeakPolarHBondContact O-CG 3.45Å; E130-Q134 PolarHBondContact O-N 3.01Å; E130-Q134 VanDerWaalsContact O-N 3.15Å; E130-Q134 PolarHBondContact OE1-NE2 2.73Å; R131-Q134 PolarHBondContact O-N 2.81Å; Q134-A137 PolarHBondContact O-N 3.42Å; Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 3.46Å
135E86.8Confident87Confident36 Ų3671.3 Ų71.317%0.16836%0.355CS..Hα-helixtrans-69.6-34.3179.6-71-82.4-178.400111.9V4 I102 R131 L138 A139V4-E135 HydrophobicContact CG1-CB 3.72Å; V4-E135 HydrophobicContact CG1-CG 4.47Å; V4-E135 HydrophobicContact CG2-CB 4.13Å; V4-E135 WeakPolarHBondContact CG2-O 3.33Å; I102-E135 HydrophobicContact CD1-CG 4.32Å; R131-E135 HydrophobicContact CG-CG 4.02Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 2.82Å; E135-L138 PolarHBondContact O-N 3.16Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.48Å
136D86.7Confident86Confident43 Ų4373.5 Ų73.523%0.2337%0.374CS..Hα-helixtrans-66.2-43.6174.4-171.955.1000111.2A132 Q133 L138 A139 Q140A132-D136 WeakPolarHBondContact O-CB 3.16Å; A132-D136 PolarHBondContact O-N 2.75Å; Q133-D136 PolarHBondContact O-N 3.48Å; D136-L138 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact O-N 2.82Å; D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 PolarHBondContact OD2-NE2 2.9Å
137A85.7Confident85.1Confident43 Ų4376.4 Ų76.436%0.35538%0.381SS..Hα-helixtrans-60.4-44.4174.400000112Q133 Q134 Q140 Q141Q133-A137 WeakPolarHBondContact O-CB 3.3Å; Q133-A137 PolarHBondContact O-N 3.17Å; Q134-A137 PolarHBondContact O-N 3.42Å; A137-Q140 PolarHBondContact O-N 2.83Å; A137-Q141 WeakPolarHBondContact O-CB 3.24Å; A137-Q141 VanDerWaalsContact O-CG 3.26Å; A137-Q141 WeakPolarHBondContact O-CG 3.33Å; A137-Q141 PolarHBondContact O-N 2.93Å
138L85.5Confident84.2Confident101 Ų10182 Ų8253%0.52940%0.401SS..Hα-helixtrans-64.8-39.7176.1-70.3166.9000112Q134 E135 D136 A142Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 3.46Å; E135-L138 PolarHBondContact O-N 3.16Å; D136-L138 PolarHBondContact O-N 2.9Å; L138-A142 WeakPolarHBondContact O-CB 3.36Å; L138-A142 PolarHBondContact O-N 2.85Å
139A82.6Confident83.4Confident14 Ų1488.8 Ų88.812%0.11643%0.425CS..Hα-helixtrans-65.4-43.7176.700000112.2P2 V4 E135 D136 A142 F143P2-A139 HydrophobicContact CB-CB 4.06Å; V4-A139 HydrophobicContact CG2-CB 3.66Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact O-N 2.82Å; A139-A142 PolarHBondContact O-N 2.62Å; A139-F143 WeakPolarHBondContact O-CB 3.42Å; A139-F143 PolarHBondContact O-N 2.94Å
140Q81.9Confident82.7Confident100 Ų10088 Ų8847%0.46743%0.426SS..Hα-helixtrans-63-47.1176.4-72.6178.217.500111.1D136 A137 A142 F143 E144D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 PolarHBondContact OD2-NE2 2.9Å; A137-Q140 PolarHBondContact O-N 2.83Å; Q140-A142 PolarHBondContact O-N 2.86Å; Q140-F143 WeakPolarHBondContact O-CB 3.33Å; Q140-F143 PolarHBondContact O-N 3.25Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 2.68Å
141Q82.5Confident82Confident110 Ų11087.6 Ų87.651%0.51442%0.419SS..Hα-helixtrans-58.2-47.4175.6-73.4173.56.100111.7A137 F143 E144 E145A137-Q141 WeakPolarHBondContact O-CB 3.24Å; A137-Q141 VanDerWaalsContact O-CG 3.26Å; A137-Q141 WeakPolarHBondContact O-CG 3.33Å; A137-Q141 PolarHBondContact O-N 2.93Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.46Å; Q141-E144 PolarHBondContact O-N 3.12Å; Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.38Å; Q141-E145 PolarHBondContact O-N 3.32Å
142A80.3Confident81.6Confident56 Ų5689.7 Ų89.746%0.46343%0.43SS..Hα-helixtrans-62.6-35.7177.600000112.3L138 A139 Q140 A146L138-A142 WeakPolarHBondContact O-CB 3.36Å; L138-A142 PolarHBondContact O-N 2.85Å; A139-A142 PolarHBondContact O-N 2.62Å; Q140-A142 PolarHBondContact O-N 2.86Å; A142-A146 VanDerWaalsContact O-CB 3.27Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.02Å
143F77Confident80.8Confident129 Ų12996.5 Ų96.557%0.56646%0.459SS*.Hα-helixtrans-69.5-43.4176.3-171.5-94.9000111.9A139 Q140 Q141 A146 R147A139-F143 WeakPolarHBondContact O-CB 3.42Å; A139-F143 PolarHBondContact O-N 2.94Å; Q140-F143 WeakPolarHBondContact O-CB 3.33Å; Q140-F143 PolarHBondContact O-N 3.25Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.46Å; F143-A146 PolarHBondContact O-N 2.93Å; F143-R147 VanDerWaalsContact O-CB 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.2Å; F143-R147 PolarHBondContact O-N 2.92Å
144E78.5Confident80.3Confident128 Ų12896 Ų9660%0.59846%0.457SS*.Hα-helixtrans-64.2-43.2176.5-73.4-177.4173.300111.9Q140 Q141 R147 R148Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 2.68Å; Q141-E144 PolarHBondContact O-N 3.12Å; E144-R147 PolarHBondContact O-N 3.42Å; E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.29Å; E144-R148 PolarHBondContact O-N 3.15Å
145E80.3Confident79.7Confident105 Ų10595.2 Ų95.249%0.49146%0.455SS..Hα-helixtrans-62.2-44174.1-75.8-171.3-173.900111.8Q141 R147 R148 R149Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.38Å; Q141-E145 PolarHBondContact O-N 3.32Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE2-NH2 3.08Å
146A76.7Confident79.2Confident49 Ų49102.1 Ų102.141%0.40548%0.48SS..Hα-helixtrans-63-42.4176.200000111.5A142 F143 R149 T150A142-A146 VanDerWaalsContact O-CB 3.27Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.02Å; F143-A146 PolarHBondContact O-N 2.93Å; A146-R149 PolarHBondContact O-N 3.15Å; A146-T150 WeakPolarHBondContact O-CB 3.43Å; A146-T150 PolarHBondContact O-N 3.35Å; A146-T150 PolarHBondContact O-OG1 3.33Å
147R76.5Confident78.6Confident138 Ų138104.7 Ų104.752%0.52149%0.494SS..Hα-helixtrans-64.1-41.4176.5-170.8179.8-175-173.33.7111.4F143 E144 E145 T150 R151F143-R147 VanDerWaalsContact O-CB 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.2Å; F143-R147 PolarHBondContact O-N 2.92Å; E144-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact C-N 3.35Å; R147-T150 PolarHBondContact O-N 2.85Å; R147-R151 VanDerWaalsContact CZ-NH2 3.32Å; R147-R151 VanDerWaalsContact NH2-NH2 3.15Å; R147-R151 WeakPolarHBondContact O-CG 3.16Å; R147-R151 PolarHBondContact O-N 3.49Å
148R76.3Confident78.3Confident160 Ų160109.6 Ų109.660%0.60450%0.503SS*.Hα-helixtrans-64.3-47176-174.8-174.8139.9-160.7-9.3111.2E144 E145 T150 R151 E152E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.29Å; E144-R148 PolarHBondContact O-N 3.15Å; E145-R148 PolarHBondContact O-N 3.45Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 2.88Å; R148-R151 PolarHBondContact O-N 3.39Å; R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 IonicContact CZ-OE1 3.56Å; R148-E152 VanDerWaalsContact CZ-OE1 3.32Å; R148-E152 IonicContact NE-OE1 3.08Å; R148-E152 PolarHBondContact NE-OE1 3.44Å; R148-E152 IonicContact NH2-OE1 3.64Å; R148-E152 PolarHBondContact NH2-OE1 2.94Å; R148-E152 WeakPolarHBondContact O-CB 3.08Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.97Å
149R77.6Confident77.9Confident167 Ų167107.6 Ų107.663%0.6350%0.498SS*.Hα-helixtrans-59.9-38.9175.5-73.4178-170-174.67.7112.2E145 A146 F153E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE2-NH2 3.08Å; A146-R149 PolarHBondContact O-N 3.15Å; R149-F153 WeakPolarHBondContact O-CB 2.97Å; R149-F153 PolarHBondContact O-N 3.38Å
150T77Confident77.7Confident74 Ų74112 Ų11245%0.45452%0.515SS..Hα-helixtrans-64.7-46.1176.6-52.50000110.7A146 R147 R148 F153 E154A146-T150 WeakPolarHBondContact O-CB 3.43Å; A146-T150 PolarHBondContact O-N 3.35Å; A146-T150 PolarHBondContact O-OG1 3.33Å; R147-T150 PolarHBondContact O-N 2.85Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 2.88Å; T150-F153 WeakPolarHBondContact O-CB 3.4Å; T150-F153 PolarHBondContact O-N 3.05Å; T150-E154 WeakPolarHBondContact O-CG 3.36Å; T150-E154 PolarHBondContact O-N 3.33Å
151R76.3Confident77.5Confident127 Ų127114.9 Ų114.948%0.47952%0.522SS..Hα-helixtrans-61.7-46.3175-73.1173.1173.8179.3-5.9112.6R147 R148 F153 E154 D155R147-R151 VanDerWaalsContact CZ-NH2 3.32Å; R147-R151 VanDerWaalsContact NH2-NH2 3.15Å; R147-R151 WeakPolarHBondContact O-CG 3.16Å; R147-R151 PolarHBondContact O-N 3.49Å; R148-R151 PolarHBondContact O-N 3.39Å; R151-F153 PolarHBondContact O-N 3.24Å; R151-E154 PolarHBondContact O-N 3.44Å; R151-D155 WeakPolarHBondContact O-CB 3.45Å; R151-D155 PolarHBondContact O-N 3.06Å
152E78.7Confident77.5Confident69 Ų69114.6 Ų114.632%0.32252%0.521SS..Hα-helixtrans-60-33.8176.6-73.9176.4-174.700111.8R148 R156R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 IonicContact CZ-OE1 3.56Å; R148-E152 VanDerWaalsContact CZ-OE1 3.32Å; R148-E152 IonicContact NE-OE1 3.08Å; R148-E152 PolarHBondContact NE-OE1 3.44Å; R148-E152 IonicContact NH2-OE1 3.64Å; R148-E152 PolarHBondContact NH2-OE1 2.94Å; R148-E152 WeakPolarHBondContact O-CB 3.08Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.97Å; E152-R156 WeakPolarHBondContact O-CB 3.41Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.11Å
153F74.2Confident77.4Confident150 Ų150116.8 Ų116.866%0.65852%0.522SS*.Hα-helixtrans-71.5-45.9174.8-172.9-94.3000112.1R149 T150 R151 D155 R156 D157R149-F153 WeakPolarHBondContact O-CB 2.97Å; R149-F153 PolarHBondContact O-N 3.38Å; T150-F153 WeakPolarHBondContact O-CB 3.4Å; T150-F153 PolarHBondContact O-N 3.05Å; R151-F153 PolarHBondContact O-N 3.24Å; F153-D155 PolarHBondContact O-N 2.81Å; F153-R156 PolarHBondContact O-N 3.01Å; F153-D157 WeakPolarHBondContact O-CB 3.06Å; F153-D157 PolarHBondContact O-N 3.21Å
154E77.2Confident77.4Confident111 Ų111115.4 Ų115.452%0.51952%0.518SS..Hα-helixtrans-61.7-41.3176.2-72.9174.4-178.700112.3T150 R151 D157 R158T150-E154 WeakPolarHBondContact O-CG 3.36Å; T150-E154 PolarHBondContact O-N 3.33Å; R151-E154 PolarHBondContact O-N 3.44Å; E154-D157 PolarHBondContact O-N 3.3Å; E154-R158 WeakPolarHBondContact O-CB 3.45Å; E154-R158 PolarHBondContact O-N 3.33Å
155D76.3Confident77.5Confident89 Ų89114.1 Ų114.148%0.47651%0.512SS..Hα-helixtrans-67.1-42.2177.4-72.6-22.8000111.1R151 F153 R158 S159R151-D155 WeakPolarHBondContact O-CB 3.45Å; R151-D155 PolarHBondContact O-N 3.06Å; F153-D155 PolarHBondContact O-N 2.81Å; D155-R158 PolarHBondContact O-N 3.34Å; D155-S159 PolarHBondContact O-N 2.96Å; D155-S159 PolarHBondContact O-OG 3.1Å; D155-S159 VanDerWaalsContact O-OG 3.11Å
156R75.8Confident77.4Confident182 Ų182112.8 Ų112.869%0.68751%0.511SS*.Hα-helixtrans-63.1-42.3174.5-78.8175.7-176.9-178.74.3112.4E152 F153 R158 S159 H160E152-R156 WeakPolarHBondContact O-CB 3.41Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.11Å; F153-R156 PolarHBondContact O-N 3.01Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-S159 PolarHBondContact O-N 2.92Å; R156-H160 VanDerWaalsContact O-CB 3.22Å; R156-H160 WeakPolarHBondContact O-CB 3.33Å; R156-H160 PolarHBondContact O-N 2.92Å
157D73.9Confident77.6Confident96 Ų96117.6 Ų117.651%0.51352%0.518SS..Hα-helixtrans-64.7-40.9177.3-168.559000111.1F153 E154 H160 R161F153-D157 WeakPolarHBondContact O-CB 3.06Å; F153-D157 PolarHBondContact O-N 3.21Å; E154-D157 PolarHBondContact O-N 3.3Å; D157-H160 PolarHBondContact O-N 3.41Å; D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 PolarHBondContact O-N 2.8Å
158R78.3Confident77.8Confident146 Ų146114.8 Ų114.855%0.55152%0.517SS*.Hα-helixtrans-62.2-50.8173.9-169.8-172.9-57-174.75.1112E154 D155 R156 H160 R161 E162E154-R158 WeakPolarHBondContact O-CB 3.45Å; E154-R158 PolarHBondContact O-N 3.33Å; D155-R158 PolarHBondContact O-N 3.34Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 2.93Å; R158-R161 WeakPolarHBondContact O-CB 3.35Å; R158-R161 PolarHBondContact O-N 3.38Å; R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 3.04Å
159S77.2Confident77.9Confident60 Ų60110.8 Ų110.842%0.4251%0.513SS..Hα-helixtrans-60.3-40177.8-620000111.9D155 R156 E162 E163D155-S159 PolarHBondContact O-N 2.96Å; D155-S159 PolarHBondContact O-OG 3.1Å; D155-S159 VanDerWaalsContact O-OG 3.11Å; R156-S159 PolarHBondContact O-N 2.92Å; S159-E162 PolarHBondContact O-N 3.35Å; S159-E163 WeakPolarHBondContact O-CB 3.43Å; S159-E163 WeakPolarHBondContact O-CG 3.28Å; S159-E163 PolarHBondContact O-N 3.32Å
160H79Confident77.9Confident105 Ų105108.5 Ų108.549%0.48651%0.51SS..Hα-helixtrans-65.2-38.6176.7-179.4-113.3000112.4R156 D157 R158 M164R156-H160 VanDerWaalsContact O-CB 3.22Å; R156-H160 WeakPolarHBondContact O-CB 3.33Å; R156-H160 PolarHBondContact O-N 2.92Å; D157-H160 PolarHBondContact O-N 3.41Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 2.93Å; H160-M164 WeakPolarHBondContact CE1-CE 3.46Å; H160-M164 WeakPolarHBondContact ND1-CE 3.38Å; H160-M164 PolarHBondContact O-N 3.38Å
161R78.4Confident78Confident162 Ų162110.6 Ų110.661%0.61152%0.517SS*.Hα-helixtrans-65.5-46.6174.1-175.2178.7178.9143.61.3111.9D157 R158 E163 M164 E165D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 PolarHBondContact O-N 2.8Å; R158-R161 WeakPolarHBondContact O-CB 3.35Å; R158-R161 PolarHBondContact O-N 3.38Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-E163 PolarHBondContact O-N 3.28Å; R161-M164 PolarHBondContact O-N 2.81Å; R161-E165 IonicContact NE-OE1 2.75Å; R161-E165 PolarHBondContact NE-OE1 2.9Å; R161-E165 VanDerWaalsContact NE-OE1 3.15Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.05Å
162E81.4Confident78.1Confident104 Ų104110 Ų11049%0.48652%0.523SS..Hα-helixtrans-60.4-43.4176.7-72.3172.8-174.100111.3R158 S159 M164 E165 V166R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 3.04Å; S159-E162 PolarHBondContact O-N 3.35Å; E162-M164 PolarHBondContact O-N 2.7Å; E162-E165 PolarHBondContact O-N 2.88Å; E162-V166 VanDerWaalsContact O-CG2 3.32Å; E162-V166 WeakPolarHBondContact O-CG2 3.14Å; E162-V166 PolarHBondContact O-N 2.82Å
163E79.2Confident78Confident102 Ų102109.3 Ų109.348%0.47753%0.529SS..Hα-helixtrans-60.9-41.5174.4-81.3-170.6-154.700112.8S159 R161 V166 R167S159-E163 WeakPolarHBondContact O-CB 3.43Å; S159-E163 WeakPolarHBondContact O-CG 3.28Å; S159-E163 PolarHBondContact O-N 3.32Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-E163 PolarHBondContact O-N 3.28Å; E163-V166 PolarHBondContact O-N 2.83Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 2.96Å; E163-R167 IonicContact OE2-NH2 3.15Å; E163-R167 PolarHBondContact OE2-NH2 3.48Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å
164M77.1Confident78Confident99 Ų99106.3 Ų106.349%0.48852%0.523SS..Hα-helixtrans-64-44.4175-96.7-162.7-110.300111.8H160 R161 E162 V166 R167 V168H160-M164 WeakPolarHBondContact CE1-CE 3.46Å; H160-M164 WeakPolarHBondContact ND1-CE 3.38Å; H160-M164 PolarHBondContact O-N 3.38Å; R161-M164 PolarHBondContact O-N 2.81Å; E162-M164 PolarHBondContact O-N 2.7Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.43Å; M164-R167 PolarHBondContact O-N 3.27Å; M164-V168 WeakPolarHBondContact O-CB 3.16Å; M164-V168 VanDerWaalsContact O-CG2 3.26Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 3.03Å
165E79.1Confident77.7Confident101 Ų101104.9 Ų104.947%0.47252%0.522SS..Hα-helixtrans-62.2-39.6178.3-72.9175.6-170.700111.6R161 E162 S169R161-E165 IonicContact NE-OE1 2.75Å; R161-E165 PolarHBondContact NE-OE1 2.9Å; R161-E165 VanDerWaalsContact NE-OE1 3.15Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.05Å; E162-E165 PolarHBondContact O-N 2.88Å; E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 2.95Å
166V80.2Confident77Confident78 Ų78102.5 Ų102.547%0.47352%0.519SS..Hα-helixtrans-64.7-45.9173.6172.80000111.3E162 E163 M164 V168 S169 Q170E162-V166 VanDerWaalsContact O-CG2 3.32Å; E162-V166 WeakPolarHBondContact O-CG2 3.14Å; E162-V166 PolarHBondContact O-N 2.82Å; E163-V166 PolarHBondContact O-N 2.83Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.43Å; V166-V168 PolarHBondContact O-N 3.47Å; V166-S169 PolarHBondContact O-N 3.05Å; V166-Q170 WeakPolarHBondContact O-CG 3.37Å; V166-Q170 PolarHBondContact O-N 3.1Å
167R80Confident76.1Confident149 Ų149101.7 Ų101.756%0.56252%0.52SS*.Hα-helixtrans-62.9-42.1177.5-74.2-179.3-155.8-177.111.2112E163 M164 Q170 L171E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 2.96Å; E163-R167 IonicContact OE2-NH2 3.15Å; E163-R167 PolarHBondContact OE2-NH2 3.48Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å; M164-R167 PolarHBondContact O-N 3.27Å; R167-Q170 PolarHBondContact O-N 3.13Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.08Å
168V79.6Confident75.3Confident80 Ų80104.9 Ų104.949%0.48553%0.53SS..Hα-helixtrans-63-45.1176.2170.50000110.5M164 V166 Q170 L171 L172M164-V168 WeakPolarHBondContact O-CB 3.16Å; M164-V168 VanDerWaalsContact O-CG2 3.26Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 3.03Å; V166-V168 PolarHBondContact O-N 3.47Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 2.75Å; V168-L171 PolarHBondContact O-N 3.07Å; V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.44Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 2.78Å
169S78.8Confident74.1Confident75 Ų75103.6 Ų103.652%0.52454%0.538SS..Hα-helixtrans-61.4-41.3177.6-60.80000112.3E165 V166 L172 A173E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 2.95Å; V166-S169 PolarHBondContact O-N 3.05Å; S169-L172 PolarHBondContact O-N 3.38Å; S169-A173 PolarHBondContact O-N 2.8Å
170Q79.1Confident72.9Confident120 Ų120106 Ų10656%0.56155%0.551SS**Hα-helixtrans-64.5-43.7175.2-73.4175.9400112V166 R167 V168 A173 V174V166-Q170 WeakPolarHBondContact O-CG 3.37Å; V166-Q170 PolarHBondContact O-N 3.1Å; R167-Q170 PolarHBondContact O-N 3.13Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 2.75Å; Q170-A173 PolarHBondContact O-N 3.29Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 3.45Å; Q170-V174 VanDerWaalsContact O-N 3.11Å
171L77.2Confident71.5Confident117 Ų117111.7 Ų111.761%0.61357%0.568SS**Hα-helixtrans-61.9-43.9177.1-76.7164.8000111.9R167 V168 A173 V174 T175R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.08Å; V168-L171 PolarHBondContact O-N 3.07Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.86Å; L171-V174 PolarHBondContact O-N 3.11Å; L171-T175 PolarHBondContact O-N 2.84Å; L171-T175 PolarHBondContact O-OG1 2.83Å
172L78.4Confident70.3Confident114 Ų114113.7 Ų113.760%0.59760%0.601SS**Hα-helixtrans-63-38.4176.2-71.3172.8000112.4V168 S169 V174 T175 G176V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.44Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 2.78Å; S169-L172 PolarHBondContact O-N 3.38Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.77Å; L172-T175 WeakPolarHBondContact CA-OG1 3.39Å; L172-T175 PolarHBondContact O-N 2.83Å; L172-T175 PolarHBondContact O-OG1 3.5Å; L172-T175 VanDerWaalsContact O-OG1 3.11Å; L172-G176 PolarHBondContact O-N 2.92Å
173A77.5Confident69.7Low55 Ų55114.2 Ų114.246%0.45561%0.607SS.*Hα-helixtrans-65.7-33.5175.700000112.5S169 Q170 L171 K177S169-A173 PolarHBondContact O-N 2.8Å; Q170-A173 PolarHBondContact O-N 3.29Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.86Å; A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.67Å
174V75.2Confident69.3Low87 Ų87114.8 Ų114.853%0.52761%0.614SS.*Hα-helixtrans-74.2-40177174.10000111.5Q170 L171 L172Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 3.45Å; Q170-V174 VanDerWaalsContact O-N 3.11Å; L171-V174 PolarHBondContact O-N 3.11Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.77Å
175T71.1Confident68.8Low81 Ų81115.7 Ų115.750%0.49762%0.621SS.*Hα-helixtrans-73.6-39.5178.154.90000112.2L171 L172 K177 K178L171-T175 PolarHBondContact O-N 2.84Å; L171-T175 PolarHBondContact O-OG1 2.83Å; L172-T175 WeakPolarHBondContact CA-OG1 3.39Å; L172-T175 PolarHBondContact O-N 2.83Å; L172-T175 PolarHBondContact O-OG1 3.5Å; L172-T175 VanDerWaalsContact O-OG1 3.11Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.68Å; T175-K178 WeakPolarHBondContact O-CB 3.18Å; T175-K178 PolarHBondContact O-N 2.76Å
176G60Low68.2Low40 Ų40116.5 Ų116.541%0.41263%0.63SS.*Hα-helixtrans-61.8-31.5175.300000113.3L172 K178 T179L172-G176 PolarHBondContact O-N 2.92Å; G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.09Å; G176-T179 PolarHBondContact O-OG1 3.37Å
177K58Low67.5Low165 Ų165118.9 Ų118.972%0.71764%0.64SS**THydrogen-bonded Turntrans-71.7-19.5172.8-76.9179.4-178.9-1780113.7A173 T175 T180A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.67Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.68Å; K177-T180 PolarHBondContact O-OG1 3.34Å
178K56.5Low66.6Low163 Ų163116.9 Ų116.971%0.70965%0.645SS**THydrogen-bonded Turntrans-84.2-19.6-179.2-76.5-174.8178-178.30113.6T175 G176T175-K178 WeakPolarHBondContact O-CB 3.18Å; T175-K178 PolarHBondContact O-N 2.76Å; G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.09Å
179T53.4Low65.7Low118 Ų118119.6 Ų119.672%0.72466%0.656SS**SBendtrans-87.2-9.8179.750.50000113.9G176 R181G176-T179 PolarHBondContact O-OG1 3.37Å; T179-R181 PolarHBondContact O-N 2.98Å
180T51.3Low64.7Low112 Ų112123 Ų12369%0.68767%0.667SS**  trans-9370.1166.950.80000110.2K177K177-T180 PolarHBondContact O-OG1 3.34Å
181R50Low63.5Low223 Ų223123.3 Ų123.384%0.84268%0.675SS**  trans-126.7126.4154.6-89.2-172.7174-169.6-2.2107.7T179T179-R181 PolarHBondContact O-N 2.98Å
182P53.3Low62.2Low204 Ų204123.8 Ų123.8100%1.32568%0.681SS**  trans-69.10-168.431.2-36.8000113

Retrieved 182 of 182 residues in 296.5 ms (Link to these results)