A0A096MIC9_POEFO Loading...

Acyl-CoA thioesterase 8

AlphaFold DB , UniProt , Accession A0A096MIC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M92.9Very high95.9Very high76 Ų7660.2 Ų60.237%0.37433%0.331SS..  0139.30-173.8175.767.500110.3W67 L130 W150M1-W67 HydrophobicContact SD-CH2 4.49Å; M1-L130 HydrophobicContact CG-CD2 3.64Å; M1-L130 HydrophobicContact SD-CB 4.26Å; M1-L130 HydrophobicContact SD-CD2 3.98Å; M1-W150 HydrophobicContact CB-CB 4.23Å; M1-W150 HydrophobicContact CB-CD2 3.74Å; M1-W150 HydrophobicContact CB-CE3 3.64Å; M1-W150 HydrophobicContact CB-CG 4.02Å; M1-W150 HydrophobicContact CB-CZ3 4.24Å; M1-W150 HydrophobicContact CG-CB 3.71Å; M1-W150 HydrophobicContact CG-CD2 3.98Å; M1-W150 HydrophobicContact CG-CE3 4.34Å; M1-W150 HydrophobicContact CG-CG 3.7Å; M1-W150 HydrophobicContact SD-CB 3.67Å; M1-W150 HydrophobicContact SD-CG 4.33Å
2P94.3Very high95.7Very high22 Ų2257.4 Ų57.414%0.14332%0.317CS..  trans-60.3148.6171.5-22.333.9000112.9V4 L65 E132P2-V4 HydrophobicContact CB-CG1 4.4Å; P2-V4 PolarHBondContact O-N 3.3Å; P2-L65 HydrophobicContact CB-CD1 4.33Å; P2-L65 HydrophobicContact CG-CD2 4.24Å; P2-E132 HydrophobicContact CG-CG 4.5Å; P2-E132 VanDerWaalsContact CG-OE1 3.29Å; P2-E132 WeakPolarHBondContact CG-OE1 3.37Å
3V96.2Very high95.4Very high153 Ų15355 Ų5593%0.92731%0.305SS*.  trans-81.7115.1173.4-177.70000109
4V96.5Very high95.1Very high23 Ų2356.2 Ų56.214%0.13931%0.307CS..  trans-142.1159-179-63.20000110.6P2 V49 L65 W67 L130P2-V4 HydrophobicContact CB-CG1 4.4Å; P2-V4 PolarHBondContact O-N 3.3Å; V4-V49 HydrophobicContact CB-CG1 4.01Å; V4-V49 HydrophobicContact CB-CG2 4.1Å; V4-V49 HydrophobicContact CG1-CG1 3.88Å; V4-V49 HydrophobicContact CG1-CG2 4.22Å; V4-V49 HydrophobicContact CG2-CG2 4.31Å; V4-L65 HydrophobicContact CG1-CD1 3.65Å; V4-W67 HydrophobicContact CG2-CZ2 4.12Å; V4-L130 HydrophobicContact CG2-CD1 3.96Å; V4-L130 HydrophobicContact CG2-CD2 3.73Å; V4-L130 HydrophobicContact CG2-CG 4.47Å
5P97.1Very high95Very high65 Ų6558.8 Ų58.842%0.42232%0.316SS..  trans-54.4148.3169.2-24.534.6000112.1D9 L10 W67P5-D9 HydrophobicContact CB-CB 4.44Å; P5-L10 HydrophobicContact CB-CD2 4.05Å; P5-L10 HydrophobicContact CB-CG 4.18Å; P5-L10 HydrophobicContact CG-CD2 4.4Å; P5-W67 PolarHBondContact O-NE1 3.2Å
6Q96.6Very high94.8Very high64 Ų6455.4 Ų55.430%0.29930%0.298SS..  trans-70.1155.4176.7-67.2-63.4-53.900110.2E8 D9Q6-E8 PolarHBondContact O-N 2.93Å; Q6-D9 PolarHBondContact O-N 3.4Å
7P97Very high94.5Very high0 Ų052.3 Ų52.30%028%0.281CS..G310 helixtrans-60.6-27.9-177.822.4-30.8000112.6D9 L10 K47 W67 W128P7-D9 VanDerWaalsContact C-N 3.27Å; P7-D9 PolarHBondContact O-N 3.35Å; P7-L10 PolarHBondContact O-N 2.99Å; P7-K47 HydrophobicContact CB-CD 4.14Å; P7-K47 WeakPolarHBondContact O-CD 3.49Å; P7-K47 WeakPolarHBondContact O-CE 3.45Å; P7-K47 PolarHBondContact O-NZ 2.8Å; P7-W67 HydrophobicContact CB-CB 3.98Å; P7-W67 HydrophobicContact CB-CD2 4.15Å; P7-W67 HydrophobicContact CB-CG 3.81Å; P7-W67 HydrophobicContact CG-CD2 4.07Å; P7-W67 HydrophobicContact CG-CE3 4.3Å; P7-W67 HydrophobicContact CG-CG 4.27Å; P7-W128 HydrophobicContact CB-CD2 3.74Å; P7-W128 HydrophobicContact CB-CE3 4.23Å; P7-W128 HydrophobicContact CB-CG 3.9Å; P7-W128 HydrophobicContact CB-CZ2 4.3Å; P7-W128 HydrophobicContact CG-CB 3.91Å; P7-W128 HydrophobicContact CG-CD2 3.97Å; P7-W128 HydrophobicContact CG-CG 3.55Å
8E96.8Very high94.3Very high103 Ų10355.2 Ų55.248%0.48129%0.293SS..G310 helixtrans-66.4-28.9177.6-62.876.2-167.700112.7Q6 L10 R152Q6-E8 PolarHBondContact O-N 2.93Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-R152 VanDerWaalsContact CD-NH2 3.27Å; E8-R152 IonicContact OE1-CZ 3.64Å; E8-R152 IonicContact OE1-NH1 3.3Å; E8-R152 PolarHBondContact OE1-NH1 3.39Å; E8-R152 IonicContact OE1-NH2 3.73Å; E8-R152 PolarHBondContact OE1-NH2 3.18Å; E8-R152 IonicContact OE2-CZ 3.73Å; E8-R152 IonicContact OE2-NH1 2.84Å; E8-R152 IonicContact OE2-NH2 3.86Å; E8-R152 PolarHBondContact OE2-NH2 2.81Å
9D96.4Very high94.1Very high124 Ų12460.4 Ų60.466%0.66331%0.308SS*.G310 helixtrans-86.8-6.3180-54.4-46.7000113.1P5 Q6 P7P5-D9 HydrophobicContact CB-CB 4.44Å; Q6-D9 PolarHBondContact O-N 3.4Å; P7-D9 VanDerWaalsContact C-N 3.27Å; P7-D9 PolarHBondContact O-N 3.35Å
10L96.4Very high93.8Very high16 Ų1658.9 Ų58.98%0.08430%0.298CS..SBendtrans-101.3142.3-175.8-68.3171000111.4P5 P7 E8 K47 V49 W67P5-L10 HydrophobicContact CB-CD2 4.05Å; P5-L10 HydrophobicContact CB-CG 4.18Å; P5-L10 HydrophobicContact CG-CD2 4.4Å; P7-L10 PolarHBondContact O-N 2.99Å; E8-L10 VanDerWaalsContact C-N 3.34Å; L10-K47 HydrophobicContact CB-CB 4.1Å; L10-K47 HydrophobicContact CB-CD 4.26Å; L10-K47 PolarHBondContact O-NZ 3.35Å; L10-V49 HydrophobicContact CD1-CG2 4.11Å; L10-W67 VanDerWaalsContact CD1-CD1 3.49Å
11P95.1Very high93.6Very high16 Ų1657.6 Ų57.610%0.10429%0.292CS..PPolyproline II helixtrans-68.8150.3177.530.7-35.2000110.9E15 I16 P51P11-E15 WeakPolarHBondContact CA-OE2 3.45Å; P11-E15 HydrophobicContact CB-CB 4.27Å; P11-E15 WeakPolarHBondContact CB-OE2 3.26Å; P11-I16 HydrophobicContact CB-CG1 4.06Å; P11-I16 HydrophobicContact CG-CD1 4.06Å; P11-I16 HydrophobicContact CG-CG1 3.86Å; P11-P51 HydrophobicContact CG-CG 3.84Å
12T93.3Very high93.4Very high27 Ų2758.5 Ų58.517%0.16631%0.306CS..PPolyproline II helixtrans-71.7162.8170.275.60000110.9E14 E15 I16T12-E14 WeakPolarHBondContact CB-OE2 3.48Å; T12-E14 PolarHBondContact O-N 2.73Å; T12-E14 PolarHBondContact OG1-N 2.79Å; T12-E14 PolarHBondContact OG1-OE2 3.21Å; T12-E14 VanDerWaalsContact OG1-OE2 3.07Å; T12-E15 PolarHBondContact N-OE2 3.27Å; T12-E15 PolarHBondContact O-N 2.91Å; T12-E15 WeakPolarHBondContact OG1-CG 3.4Å; T12-E15 PolarHBondContact OG1-N 2.86Å; T12-E15 VanDerWaalsContact OG1-N 3.09Å; T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.04Å; T12-I16 PolarHBondContact O-N 3.21Å
13V91.1Very high93Very high26 Ų2661 Ų6116%0.15831%0.314CS..Hα-helixtrans-58.7-40.2172.5166.90000110.9I16 I17 V46 P48 F54 Y55V13-I16 WeakPolarHBondContact O-CB 3.49Å; V13-I16 PolarHBondContact O-N 2.64Å; V13-I17 HydrophobicContact CG1-CD1 3.83Å; V13-I17 HydrophobicContact CG1-CG1 4.3Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.84Å; V13-V46 HydrophobicContact CG2-CB 4.28Å; V13-V46 HydrophobicContact CG2-CG1 4.45Å; V13-V46 WeakPolarHBondContact CG2-O 3.34Å; V13-P48 HydrophobicContact CG2-CG 4.47Å; V13-F54 HydrophobicContact CB-CE1 4.14Å; V13-F54 HydrophobicContact CB-CZ 4.35Å; V13-F54 HydrophobicContact CG1-CE1 3.63Å; V13-F54 HydrophobicContact CG1-CZ 4.05Å; V13-F54 HydrophobicContact CG2-CD1 4.43Å; V13-F54 HydrophobicContact CG2-CE1 3.53Å; V13-F54 HydrophobicContact CG2-CE2 4.17Å; V13-F54 HydrophobicContact CG2-CZ 3.37Å; V13-Y55 WeakPolarHBondContact CG1-OH 3.07Å
14E91.6Very high92.3Very high72 Ų7259.1 Ų59.134%0.33631%0.305SS..Hα-helixtrans-60.9-47.1178.4-60.384.4170.500111.1T12 I16 I17 Q18 L38 R71T12-E14 WeakPolarHBondContact CB-OE2 3.48Å; T12-E14 PolarHBondContact O-N 2.73Å; T12-E14 PolarHBondContact OG1-N 2.79Å; T12-E14 PolarHBondContact OG1-OE2 3.21Å; T12-E14 VanDerWaalsContact OG1-OE2 3.07Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 2.9Å; E14-I17 PolarHBondContact O-N 2.85Å; E14-Q18 VanDerWaalsContact O-CG 3.3Å; E14-Q18 WeakPolarHBondContact O-CG 3.08Å; E14-Q18 PolarHBondContact O-N 3.31Å; E14-L38 HydrophobicContact CB-CD2 4.01Å; E14-L38 HydrophobicContact CG-CD2 4.11Å; E14-R71 IonicContact OE1-NH2 3.68Å; E14-R71 PolarHBondContact OE1-NH2 3.25Å
15E93.4Very high91.8Very high95 Ų9565.4 Ų65.444%0.44434%0.338SS..Hα-helixtrans-62-40.4175.5-71172.8154.400112.1P11 T12 Q18 R19P11-E15 WeakPolarHBondContact CA-OE2 3.45Å; P11-E15 HydrophobicContact CB-CB 4.27Å; P11-E15 WeakPolarHBondContact CB-OE2 3.26Å; T12-E15 PolarHBondContact N-OE2 3.27Å; T12-E15 PolarHBondContact O-N 2.91Å; T12-E15 WeakPolarHBondContact OG1-CG 3.4Å; T12-E15 PolarHBondContact OG1-N 2.86Å; T12-E15 VanDerWaalsContact OG1-N 3.09Å; E15-Q18 PolarHBondContact O-N 2.87Å; E15-R19 VanDerWaalsContact O-CG 3.28Å; E15-R19 WeakPolarHBondContact O-CG 3.32Å; E15-R19 PolarHBondContact O-N 2.91Å
16I91.4Very high91.2Very high4 Ų463.9 Ų63.92%0.02133%0.326CS..Hα-helixtrans-61.1-49.1175.4-66.4166.7000109.8P11 T12 V13 E14 Q18 R19 Y20 P48 P51 Y55P11-I16 HydrophobicContact CB-CG1 4.06Å; P11-I16 HydrophobicContact CG-CD1 4.06Å; P11-I16 HydrophobicContact CG-CG1 3.86Å; T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.04Å; T12-I16 PolarHBondContact O-N 3.21Å; V13-I16 WeakPolarHBondContact O-CB 3.49Å; V13-I16 PolarHBondContact O-N 2.64Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 2.9Å; I16-Q18 VanDerWaalsContact C-N 3.35Å; I16-Q18 PolarHBondContact O-N 3.11Å; I16-R19 PolarHBondContact O-N 2.89Å; I16-Y20 HydrophobicContact CG2-CD2 3.88Å; I16-Y20 HydrophobicContact CG2-CE2 3.67Å; I16-Y20 WeakPolarHBondContact O-CD2 3.36Å; I16-Y20 PolarHBondContact O-N 2.9Å; I16-Y20 VanDerWaalsContact O-N 3.11Å; I16-P48 HydrophobicContact CD1-CG 3.82Å; I16-P51 HydrophobicContact CD1-CB 3.85Å; I16-P51 HydrophobicContact CD1-CG 4.27Å; I16-P51 HydrophobicContact CG1-CB 4.15Å; I16-Y55 HydrophobicContact CG2-CD2 3.67Å; I16-Y55 HydrophobicContact CG2-CE2 3.82Å
17I90.6Very high90.7Very high3 Ų364.8 Ų64.82%0.01534%0.336CS..Hα-helixtrans-59.1-46.6179.4-66.8165.4000110.7V13 E14 R19 Y20 L21 L34 L37 L38 Y55V13-I17 HydrophobicContact CG1-CD1 3.83Å; V13-I17 HydrophobicContact CG1-CG1 4.3Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.84Å; E14-I17 PolarHBondContact O-N 2.85Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 2.84Å; I17-Y20 CarbonylContact O-C 3.59Å; I17-Y20 WeakPolarHBondContact O-CA 3.25Å; I17-Y20 WeakPolarHBondContact O-CB 3.38Å; I17-Y20 PolarHBondContact O-N 2.89Å; I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.14Å; I17-L21 PolarHBondContact O-N 3.34Å; I17-L34 HydrophobicContact CG1-CD2 4.34Å; I17-L34 HydrophobicContact CG2-CB 3.79Å; I17-L34 HydrophobicContact CG2-CD2 4.02Å; I17-L34 HydrophobicContact CG2-CG 4.33Å; I17-L37 HydrophobicContact CD1-CB 4.08Å; I17-L38 HydrophobicContact CB-CD1 4.5Å; I17-L38 HydrophobicContact CB-CD2 4.04Å; I17-L38 HydrophobicContact CB-CG 4.18Å; I17-L38 HydrophobicContact CD1-CD2 3.74Å; I17-L38 HydrophobicContact CD1-CG 3.88Å; I17-L38 HydrophobicContact CG2-CD1 3.7Å; I17-L38 HydrophobicContact CG2-CD2 4.08Å; I17-L38 HydrophobicContact CG2-CG 3.67Å; I17-Y55 WeakPolarHBondContact CD1-OH 3.29Å; I17-Y55 HydrophobicContact CG1-CE2 3.56Å; I17-Y55 WeakPolarHBondContact CG1-OH 3.32Å
18Q91.5Very high90.3Very high105 Ų10570.3 Ų70.349%0.49136%0.362SS..Hα-helixtrans-60.7-40.4179.9-69.3-65.1-6.200112.1E14 E15 I16 Y20 L21 S22E14-Q18 VanDerWaalsContact O-CG 3.3Å; E14-Q18 WeakPolarHBondContact O-CG 3.08Å; E14-Q18 PolarHBondContact O-N 3.31Å; E15-Q18 PolarHBondContact O-N 2.87Å; I16-Q18 VanDerWaalsContact C-N 3.35Å; I16-Q18 PolarHBondContact O-N 3.11Å; Q18-Y20 PolarHBondContact O-N 3.41Å; Q18-L21 PolarHBondContact O-N 3.43Å; Q18-S22 PolarHBondContact O-N 2.82Å
19R90.3Very high89.7Confident153 Ų15369.5 Ų69.558%0.57737%0.368SS*.Hα-helixtrans-63.4-28172.5-70.4174.2-169.7-1776.1113.4E15 I16 I17 S22E15-R19 VanDerWaalsContact O-CG 3.28Å; E15-R19 WeakPolarHBondContact O-CG 3.32Å; E15-R19 PolarHBondContact O-N 2.91Å; I16-R19 PolarHBondContact O-N 2.89Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 2.84Å; R19-S22 PolarHBondContact O-OG 2.74Å; R19-S22 VanDerWaalsContact O-OG 3.12Å
20Y86.6Confident89.1Confident31 Ų3165.2 Ų65.212%0.12235%0.349CS..Hα-helixtrans-74.6-51.8171.1-82.3-78.7000110.2I16 I17 Q18 S22 K23 L26 Y55 R56I16-Y20 HydrophobicContact CG2-CD2 3.88Å; I16-Y20 HydrophobicContact CG2-CE2 3.67Å; I16-Y20 WeakPolarHBondContact O-CD2 3.36Å; I16-Y20 PolarHBondContact O-N 2.9Å; I16-Y20 VanDerWaalsContact O-N 3.11Å; I17-Y20 CarbonylContact O-C 3.59Å; I17-Y20 WeakPolarHBondContact O-CA 3.25Å; I17-Y20 WeakPolarHBondContact O-CB 3.38Å; I17-Y20 PolarHBondContact O-N 2.89Å; Q18-Y20 PolarHBondContact O-N 3.41Å; Y20-S22 PolarHBondContact O-N 3.33Å; Y20-S22 VanDerWaalsContact O-N 3.11Å; Y20-K23 HydrophobicContact CD1-CD 4.22Å; Y20-K23 VanDerWaalsContact CE1-NZ 3.33Å; Y20-K23 VanDerWaalsContact O-CB 3.27Å; Y20-K23 WeakPolarHBondContact O-CB 3.36Å; Y20-K23 WeakPolarHBondContact O-CG 3.39Å; Y20-K23 PolarHBondContact O-N 2.9Å; Y20-L26 VanDerWaalsContact C-CD1 3.47Å; Y20-L26 WeakPolarHBondContact O-CD1 3.18Å; Y20-Y55 HydrophobicContact CD2-CD2 4.03Å; Y20-Y55 AromaticContact CE2-CD2 3.92Å; Y20-Y55 HydrophobicContact CE2-CD2 3.92Å; Y20-Y55 HydrophobicContact CE2-CG 4.43Å; Y20-R56 HydrophobicContact CE1-CG 4.19Å
21L89.8Confident88.7Confident32 Ų3267.4 Ų67.417%0.16836%0.358CS..Hα-helixtrans-54.9-29.2-178.7-75172.1000113.9I17 Q18 K23 K31 L34 N35 L38I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.14Å; I17-L21 PolarHBondContact O-N 3.34Å; Q18-L21 PolarHBondContact O-N 3.43Å; L21-K23 PolarHBondContact O-N 2.99Å; L21-K31 HydrophobicContact CD2-CB 4.24Å; L21-K31 HydrophobicContact CD2-CG 4.36Å; L21-L34 HydrophobicContact CD1-CB 4.47Å; L21-L34 HydrophobicContact CD2-CB 3.77Å; L21-L34 HydrophobicContact CD2-CD1 3.9Å; L21-L34 HydrophobicContact CG-CB 4.09Å; L21-L34 HydrophobicContact CG-CD1 4.06Å; L21-N35 WeakPolarHBondContact CD1-OD1 3.38Å; L21-L38 HydrophobicContact CD1-CD1 3.75Å
22S88.8Confident88.4Confident94 Ų9472.9 Ų72.966%0.65738%0.383SS*.THydrogen-bonded Turntrans-73.1-6.6175.765.70000114.8Q18 R19 Y20Q18-S22 PolarHBondContact O-N 2.82Å; R19-S22 PolarHBondContact O-OG 2.74Å; R19-S22 VanDerWaalsContact O-OG 3.12Å; Y20-S22 PolarHBondContact O-N 3.33Å; Y20-S22 VanDerWaalsContact O-N 3.11Å
23K86.1Confident88.2Confident75 Ų7573.3 Ų73.333%0.32639%0.392SS..  trans-77.1131.8178.5-67.1176.4179.9169.80111Y20 L21 D25 L26Y20-K23 HydrophobicContact CD1-CD 4.22Å; Y20-K23 VanDerWaalsContact CE1-NZ 3.33Å; Y20-K23 VanDerWaalsContact O-CB 3.27Å; Y20-K23 WeakPolarHBondContact O-CB 3.36Å; Y20-K23 WeakPolarHBondContact O-CG 3.39Å; Y20-K23 PolarHBondContact O-N 2.9Å; L21-K23 PolarHBondContact O-N 2.99Å; K23-D25 VanDerWaalsContact C-N 3.32Å; K23-D25 PolarHBondContact O-N 3.49Å; K23-L26 HydrophobicContact CB-CD1 4.28Å
24P82.5Confident88.1Confident113 Ų11372.9 Ų72.973%0.73439%0.389SS*.THydrogen-bonded Turntrans-66.2-32-175.125.2-33.4000113.3L26P24-L26 VanDerWaalsContact C-N 3.3Å; P24-L26 PolarHBondContact O-N 3.28Å
25D86.2Confident88Confident155 Ų15573.5 Ų73.583%0.82939%0.394SS*.THydrogen-bonded Turntrans-89.919.9-170.6-52.3-38.2000114.4K23K23-D25 VanDerWaalsContact C-N 3.32Å; K23-D25 PolarHBondContact O-N 3.49Å
26L83.5Confident87.8Confident33 Ų3376.5 Ų76.517%0.17341%0.406CS..  trans-78.8124.7178.7-95.5162.9000111.5Y20 K23 P24 A30 K31 L34Y20-L26 VanDerWaalsContact C-CD1 3.47Å; Y20-L26 WeakPolarHBondContact O-CD1 3.18Å; K23-L26 HydrophobicContact CB-CD1 4.28Å; P24-L26 VanDerWaalsContact C-N 3.3Å; P24-L26 PolarHBondContact O-N 3.28Å; L26-A30 HydrophobicContact CD2-CB 3.49Å; L26-A30 VanDerWaalsContact CD2-CB 3.49Å; L26-K31 HydrophobicContact CB-CG 3.96Å; L26-K31 VanDerWaalsContact O-CE 3.29Å; L26-K31 WeakPolarHBondContact O-CE 3.13Å; L26-L34 HydrophobicContact CD1-CD1 4.31Å; L26-L34 HydrophobicContact CD2-CD1 4.39Å
27T86.4Confident87.6Confident84 Ų8480.3 Ų80.352%0.51543%0.426SS..  trans-59.1147.1169.363.70000111.1S29 A30 K31T27-S29 VanDerWaalsContact C-N 3.29Å; T27-S29 PolarHBondContact O-N 3.08Å; T27-S29 PolarHBondContact OG1-OG 3.18Å; T27-A30 WeakPolarHBondContact O-CA 3.34Å; T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.28Å; T27-A30 VanDerWaalsContact OG1-CB 3.23Å; T27-A30 WeakPolarHBondContact OG1-CB 3.31Å; T27-A30 PolarHBondContact OG1-N 3.07Å; T27-K31 PolarHBondContact O-N 3.22Å; T27-K31 VanDerWaalsContact O-N 3.07Å
28E87.6Confident87.5Confident116 Ų11682.6 Ų82.654%0.54244%0.438SS..Hα-helixtrans-56.3-40.2177.8-71.4-53.8122.500113.2A30 K31 Q32E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.48Å; E28-K31 PolarHBondContact O-N 2.93Å; E28-K31 IonicContact OE1-NZ 3.27Å; E28-K31 PolarHBondContact OE1-NZ 2.66Å; E28-Q32 WeakPolarHBondContact O-CG 3.15Å; E28-Q32 PolarHBondContact O-N 2.89Å
29S84.3Confident87.3Confident85 Ų8581.7 Ų81.759%0.59445%0.448SS*.Hα-helixtrans-59.8-36.4175.453.20000112.9T27 G33T27-S29 VanDerWaalsContact C-N 3.29Å; T27-S29 PolarHBondContact O-N 3.08Å; T27-S29 PolarHBondContact OG1-OG 3.18Å; S29-G33 PolarHBondContact O-N 3.15Å
30A85.1Confident87.1Confident34 Ų3477.8 Ų77.828%0.28144%0.442SS..Hα-helixtrans-72.4-40.317700000111.5L26 T27 E28 G33 L34L26-A30 HydrophobicContact CD2-CB 3.49Å; L26-A30 VanDerWaalsContact CD2-CB 3.49Å; T27-A30 WeakPolarHBondContact O-CA 3.34Å; T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.28Å; T27-A30 VanDerWaalsContact OG1-CB 3.23Å; T27-A30 WeakPolarHBondContact OG1-CB 3.31Å; T27-A30 PolarHBondContact OG1-N 3.07Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.48Å; A30-G33 PolarHBondContact O-N 2.83Å; A30-L34 WeakPolarHBondContact O-CG 3.34Å; A30-L34 PolarHBondContact O-N 2.66Å
31K87.9Confident86.9Confident62 Ų6285.3 Ų85.327%0.2748%0.478SS..Hα-helixtrans-60.3-46.8174.1-64.6-179.5-172.8161.50111.5L21 L26 T27 E28 G33 L34 N35L21-K31 HydrophobicContact CD2-CB 4.24Å; L21-K31 HydrophobicContact CD2-CG 4.36Å; L26-K31 HydrophobicContact CB-CG 3.96Å; L26-K31 VanDerWaalsContact O-CE 3.29Å; L26-K31 WeakPolarHBondContact O-CE 3.13Å; T27-K31 PolarHBondContact O-N 3.22Å; T27-K31 VanDerWaalsContact O-N 3.07Å; E28-K31 PolarHBondContact O-N 2.93Å; E28-K31 IonicContact OE1-NZ 3.27Å; E28-K31 PolarHBondContact OE1-NZ 2.66Å; K31-G33 VanDerWaalsContact C-N 3.34Å; K31-G33 PolarHBondContact O-N 3.35Å; K31-L34 PolarHBondContact O-N 2.8Å; K31-N35 WeakPolarHBondContact O-CB 3.45Å; K31-N35 PolarHBondContact O-N 2.8Å; K31-N35 PolarHBondContact O-ND2 2.87Å
32Q89.3Confident86.8Confident132 Ų13286.1 Ų86.162%0.61748%0.484SS*.Hα-helixtrans-58.6-44.7175.7-72.4176.1-4.500111.8E28 N35 K36E28-Q32 WeakPolarHBondContact O-CG 3.15Å; E28-Q32 PolarHBondContact O-N 2.89Å; Q32-N35 PolarHBondContact O-N 3.45Å; Q32-K36 WeakPolarHBondContact O-CB 3.5Å; Q32-K36 PolarHBondContact O-N 2.8Å
33G87.8Confident86.9Confident35 Ų3585 Ų8536%0.36148%0.475SS..Hα-helixtrans-60-46176.200000112.9S29 A30 K31 K36 L37S29-G33 PolarHBondContact O-N 3.15Å; A30-G33 PolarHBondContact O-N 2.83Å; K31-G33 VanDerWaalsContact C-N 3.34Å; K31-G33 PolarHBondContact O-N 3.35Å; G33-K36 PolarHBondContact O-N 3.34Å; G33-L37 WeakPolarHBondContact O-CG 3.41Å; G33-L37 PolarHBondContact O-N 2.82Å; G33-L37 VanDerWaalsContact O-N 3.11Å
34L88.9Confident87.3Confident17 Ų1781.9 Ų81.99%0.08946%0.461CS..Hα-helixtrans-66.1-42.8178.4-72.2176000112.6I17 L21 L26 A30 K31 K36 L37 L38 Y55I17-L34 HydrophobicContact CG1-CD2 4.34Å; I17-L34 HydrophobicContact CG2-CB 3.79Å; I17-L34 HydrophobicContact CG2-CD2 4.02Å; I17-L34 HydrophobicContact CG2-CG 4.33Å; L21-L34 HydrophobicContact CD1-CB 4.47Å; L21-L34 HydrophobicContact CD2-CB 3.77Å; L21-L34 HydrophobicContact CD2-CD1 3.9Å; L21-L34 HydrophobicContact CG-CB 4.09Å; L21-L34 HydrophobicContact CG-CD1 4.06Å; L26-L34 HydrophobicContact CD1-CD1 4.31Å; L26-L34 HydrophobicContact CD2-CD1 4.39Å; A30-L34 WeakPolarHBondContact O-CG 3.34Å; A30-L34 PolarHBondContact O-N 2.66Å; K31-L34 PolarHBondContact O-N 2.8Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.84Å; L34-L37 WeakPolarHBondContact O-CB 3.29Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-L38 PolarHBondContact O-N 2.88Å; L34-Y55 HydrophobicContact CD2-CD1 4.33Å; L34-Y55 HydrophobicContact CD2-CE1 4.21Å
35N90.4Very high87.9Confident85 Ų8577.7 Ų77.746%0.45543%0.432SS..Hα-helixtrans-63.9-38.3175.7-75.6-27.2000112.1L21 K31 Q32 L37 L38 A39L21-N35 WeakPolarHBondContact CD1-OD1 3.38Å; K31-N35 WeakPolarHBondContact O-CB 3.45Å; K31-N35 PolarHBondContact O-N 2.8Å; K31-N35 PolarHBondContact O-ND2 2.87Å; Q32-N35 PolarHBondContact O-N 3.45Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.03Å; N35-L38 PolarHBondContact O-N 3.13Å; N35-A39 PolarHBondContact O-N 3.42Å
36K89.3Confident88.3Confident158 Ų15871.4 Ų71.469%0.68740%0.399SS*.Hα-helixtrans-61.8-40.7174.1-176177.3179.7178.80111.7Q32 G33 L34 A39 T40Q32-K36 WeakPolarHBondContact O-CB 3.5Å; Q32-K36 PolarHBondContact O-N 2.8Å; G33-K36 PolarHBondContact O-N 3.34Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.84Å; K36-A39 PolarHBondContact O-N 3.01Å; K36-T40 PolarHBondContact O-N 2.93Å; K36-T40 PolarHBondContact O-OG1 3.02Å
37L86.4Confident88.9Confident84 Ų8471 Ų7144%0.4440%0.396SS..Hα-helixtrans-64.4-42.6176.1-70.6171.4000111.9I17 G33 L34 N35 A39 T40 Y55I17-L37 HydrophobicContact CD1-CB 4.08Å; G33-L37 WeakPolarHBondContact O-CG 3.41Å; G33-L37 PolarHBondContact O-N 2.82Å; G33-L37 VanDerWaalsContact O-N 3.11Å; L34-L37 WeakPolarHBondContact O-CB 3.29Å; L34-L37 PolarHBondContact O-N 2.84Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.03Å; L37-A39 VanDerWaalsContact C-N 3.28Å; L37-A39 PolarHBondContact O-N 2.61Å; L37-T40 WeakPolarHBondContact O-CB 3.24Å; L37-T40 PolarHBondContact O-N 2.99Å; L37-T40 VanDerWaalsContact O-N 3.09Å; L37-Y55 HydrophobicContact CD1-CE1 3.67Å
38L88.3Confident89.3Confident52 Ų5267.2 Ų67.227%0.27237%0.373SS..Hα-helixtrans-60.7-36.6175.2-76.8172.1000113.1E14 I17 L21 L34 N35 T40E14-L38 HydrophobicContact CB-CD2 4.01Å; E14-L38 HydrophobicContact CG-CD2 4.11Å; I17-L38 HydrophobicContact CB-CD1 4.5Å; I17-L38 HydrophobicContact CB-CD2 4.04Å; I17-L38 HydrophobicContact CB-CG 4.18Å; I17-L38 HydrophobicContact CD1-CD2 3.74Å; I17-L38 HydrophobicContact CD1-CG 3.88Å; I17-L38 HydrophobicContact CG2-CD1 3.7Å; I17-L38 HydrophobicContact CG2-CD2 4.08Å; I17-L38 HydrophobicContact CG2-CG 3.67Å; L21-L38 HydrophobicContact CD1-CD1 3.75Å; L34-L38 PolarHBondContact O-N 2.88Å; N35-L38 PolarHBondContact O-N 3.13Å; L38-T40 PolarHBondContact O-N 3.41Å
39A88.1Confident89.6Confident85 Ų8563.2 Ų63.270%0.70236%0.356SS*.THydrogen-bonded Turntrans-77.9-7.117800000113.4N35 K36 L37N35-A39 PolarHBondContact O-N 3.42Å; K36-A39 PolarHBondContact O-N 3.01Å; L37-A39 VanDerWaalsContact C-N 3.28Å; L37-A39 PolarHBondContact O-N 2.61Å
40T86.4Confident89.8Confident72 Ų7261.1 Ų61.144%0.44234%0.342SS..  trans-86.1114.1180-56.30000109.4K36 L37 L38 V42K36-T40 PolarHBondContact O-N 2.93Å; K36-T40 PolarHBondContact O-OG1 3.02Å; L37-T40 WeakPolarHBondContact O-CB 3.24Å; L37-T40 PolarHBondContact O-N 2.99Å; L37-T40 VanDerWaalsContact O-N 3.09Å; L38-T40 PolarHBondContact O-N 3.41Å; T40-V42 HydrophobicContact CG2-CG2 4.09Å; T40-V42 PolarHBondContact O-N 2.79Å
41E82.8Confident89.5Confident189 Ų18961.5 Ų61.588%0.88334%0.341SS*.  trans-71.7120.5169.1-69.6-168.6168.700110
42V85.9Confident88.7Confident49 Ų4960.9 Ų60.930%0.29735%0.348SS..  trans-114.1126.4176.7-169.70000108.1T40 I44 R71 F92T40-V42 HydrophobicContact CG2-CG2 4.09Å; T40-V42 PolarHBondContact O-N 2.79Å; V42-I44 HydrophobicContact CG1-CB 4.41Å; V42-I44 PolarHBondContact O-N 3.49Å; V42-I44 VanDerWaalsContact O-N 3.08Å; V42-R71 VanDerWaalsContact O-CD 3.31Å; V42-R71 WeakPolarHBondContact O-CD 3.29Å; V42-R71 PolarHBondContact O-NE 3.27Å; V42-F92 HydrophobicContact CG1-CE1 3.66Å; V42-F92 HydrophobicContact CG1-CZ 3.82Å
43P91.4Very high87.7Confident71 Ų7156.9 Ų56.946%0.46133%0.329SS..SBendtrans-70.6-4.6-177.630.1-36.2000112.9R71 Y88P43-R71 PolarHBondContact O-N 2.87Å; P43-Y88 HydrophobicContact CG-CE1 4.02Å
44I94.8Very high86.8Confident8 Ų858.6 Ų58.64%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-114.2126178.6-53-54.9000108.4V42 V46 A68 R69 A70 V85 Y88 V89 F92V42-I44 HydrophobicContact CG1-CB 4.41Å; V42-I44 PolarHBondContact O-N 3.49Å; V42-I44 VanDerWaalsContact O-N 3.08Å; I44-V46 HydrophobicContact CG2-CG2 4.05Å; I44-A68 HydrophobicContact CG2-CB 4.23Å; I44-R69 CarbonylContact C-O 3.53Å; I44-R69 WeakPolarHBondContact CA-O 3.49Å; I44-A70 HydrophobicContact CD1-CB 4.18Å; I44-V85 HydrophobicContact CD1-CG1 4.21Å; I44-Y88 HydrophobicContact CD1-CD1 4.26Å; I44-Y88 HydrophobicContact CG1-CD1 4.08Å; I44-Y88 HydrophobicContact CG1-CE1 4.01Å; I44-V89 HydrophobicContact CD1-CG2 3.5Å; I44-V89 VanDerWaalsContact CD1-CG2 3.5Å; I44-V89 HydrophobicContact CG1-CG2 3.83Å; I44-V89 HydrophobicContact CG2-CG2 3.97Å; I44-F92 HydrophobicContact CB-CE2 4.36Å; I44-F92 HydrophobicContact CB-CZ 4.15Å; I44-F92 HydrophobicContact CG1-CE2 3.74Å; I44-F92 HydrophobicContact CG1-CZ 3.84Å
45E95.1Very high85.6Confident26 Ų2660.9 Ų60.912%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-83.4132.4167.5-162.9-172.9160.300109A68 R69 R71 W128E45-A68 VanDerWaalsContact O-CA 3.28Å; E45-A68 WeakPolarHBondContact O-CA 3.16Å; E45-R69 HydrophobicContact CB-CG 4.07Å; E45-R69 PolarHBondContact N-O 3.49Å; E45-R69 PolarHBondContact O-N 2.77Å; E45-R69 IonicContact OE1-NH2 2.99Å; E45-R69 IonicContact OE2-CZ 2.66Å; E45-R69 VanDerWaalsContact OE2-CZ 3.22Å; E45-R69 IonicContact OE2-NE 3.38Å; E45-R69 PolarHBondContact OE2-NE 2.83Å; E45-R69 IonicContact OE2-NH2 3.22Å; E45-R69 PolarHBondContact OE2-NH2 3.33Å; E45-R71 HydrophobicContact CB-CG 4.27Å; E45-W128 HydrophobicContact CB-CH2 4.03Å; E45-W128 HydrophobicContact CB-CZ3 4.48Å; E45-W128 HydrophobicContact CG-CH2 3.65Å; E45-W128 HydrophobicContact CG-CZ2 4.34Å; E45-W128 HydrophobicContact CG-CZ3 4.5Å; E45-W128 WeakPolarHBondContact OE1-CH2 3.1Å; E45-W128 WeakPolarHBondContact OE1-CZ2 3.44Å
46V94.9Very high84.3Confident23 Ų2363.3 Ų63.314%0.13934%0.337CS..EExtended strand (participates in β ladder)trans-126.2136.3-179.5173.20000109.6V13 I44 P48 F54 F66 W67V13-V46 HydrophobicContact CG2-CB 4.28Å; V13-V46 HydrophobicContact CG2-CG1 4.45Å; V13-V46 WeakPolarHBondContact CG2-O 3.34Å; I44-V46 HydrophobicContact CG2-CG2 4.05Å; V46-P48 HydrophobicContact CG1-CG 4.49Å; V46-F54 HydrophobicContact CG1-CE2 4.25Å; V46-F66 HydrophobicContact CG1-CB 4.14Å; V46-F66 HydrophobicContact CG1-CD2 3.77Å; V46-F66 HydrophobicContact CG1-CG 4.21Å; V46-F66 HydrophobicContact CG2-CD2 4.47Å; V46-W67 CarbonylContact C-O 3.6Å; V46-W67 WeakPolarHBondContact CA-O 3.27Å
47K95.8Very high83.1Confident23 Ų2361.4 Ų61.410%0.133%0.331CS..EExtended strand (participates in β ladder)trans-126.3103.7171-70.7-168.6172-150.20110.6P7 L10 V49 F66 W67 W128P7-K47 HydrophobicContact CB-CD 4.14Å; P7-K47 WeakPolarHBondContact O-CD 3.49Å; P7-K47 WeakPolarHBondContact O-CE 3.45Å; P7-K47 PolarHBondContact O-NZ 2.8Å; L10-K47 HydrophobicContact CB-CB 4.1Å; L10-K47 HydrophobicContact CB-CD 4.26Å; L10-K47 PolarHBondContact O-NZ 3.35Å; K47-V49 PolarHBondContact O-N 3.19Å; K47-F66 WeakPolarHBondContact O-CA 3.4Å; K47-W67 HydrophobicContact CB-CB 4.25Å; K47-W67 PolarHBondContact N-O 2.82Å; K47-W67 PolarHBondContact O-N 3.35Å; K47-W128 HydrophobicContact CB-CH2 4.48Å; K47-W128 HydrophobicContact CD-CH2 3.92Å; K47-W128 HydrophobicContact CD-CZ2 4.05Å; K47-W128 HydrophobicContact CG-CH2 3.77Å; K47-W128 HydrophobicContact CG-CZ2 4.4Å; K47-W128 HydrophobicContact CG-CZ3 4.33Å
48P94.9Very high82.1Confident5 Ų560.7 Ų60.73%0.03233%0.33CS..EExtended strand (participates in β ladder)trans-67.1131.9-178.4-18.832.5000111.6V13 I16 V46 S50 F54V13-P48 HydrophobicContact CG2-CG 4.47Å; I16-P48 HydrophobicContact CD1-CG 3.82Å; V46-P48 HydrophobicContact CG1-CG 4.49Å; P48-S50 VanDerWaalsContact C-N 3.28Å; P48-S50 PolarHBondContact O-N 2.76Å; P48-F54 HydrophobicContact CB-CB 4.08Å; P48-F54 HydrophobicContact CB-CD2 3.9Å; P48-F54 HydrophobicContact CB-CG 4.14Å; P48-F54 HydrophobicContact CG-CB 3.9Å; P48-F54 HydrophobicContact CG-CD1 4.09Å; P48-F54 HydrophobicContact CG-CD2 3.24Å; P48-F54 HydrophobicContact CG-CE2 3.72Å; P48-F54 HydrophobicContact CG-CG 3.47Å; P48-F54 VanDerWaalsContact CG-CG 3.47Å; P48-F54 HydrophobicContact CG-CZ 4.34Å
49V94.7Very high81.5Confident32 Ų3262 Ų6219%0.19434%0.343CS..SBendtrans-69.4-31.2172.7174.60000110.8V4 L10 K47 P51 L65 L130V4-V49 HydrophobicContact CB-CG1 4.01Å; V4-V49 HydrophobicContact CB-CG2 4.1Å; V4-V49 HydrophobicContact CG1-CG1 3.88Å; V4-V49 HydrophobicContact CG1-CG2 4.22Å; V4-V49 HydrophobicContact CG2-CG2 4.31Å; L10-V49 HydrophobicContact CD1-CG2 4.11Å; K47-V49 PolarHBondContact O-N 3.19Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å; V49-L65 HydrophobicContact CB-CB 3.9Å; V49-L65 WeakPolarHBondContact CB-O 3.38Å; V49-L65 HydrophobicContact CG1-CB 4.4Å; V49-L65 HydrophobicContact CG2-CB 3.83Å; V49-L65 PolarHBondContact N-O 2.85Å; V49-L130 HydrophobicContact CG2-CD1 4.19Å
50S88.2Confident81.2Confident42 Ų4258.8 Ų58.829%0.29432%0.319SS..  trans-117.590.4172.9-170.20000110.9P48 A52 Q53P48-S50 VanDerWaalsContact C-N 3.28Å; P48-S50 PolarHBondContact O-N 2.76Å; S50-A52 PolarHBondContact O-N 3.5Å; S50-A52 VanDerWaalsContact O-N 3.16Å; S50-Q53 PolarHBondContact O-N 2.78Å
51P78.2Confident81.4Confident42 Ų4262.6 Ų62.627%0.27333%0.331SS..Hα-helixtrans-57.4-29.6179.7-28.836.5000114.1P11 I16 V49 Q53 F54P11-P51 HydrophobicContact CG-CG 3.84Å; I16-P51 HydrophobicContact CD1-CB 3.85Å; I16-P51 HydrophobicContact CD1-CG 4.27Å; I16-P51 HydrophobicContact CG1-CB 4.15Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å; P51-Q53 VanDerWaalsContact C-N 3.31Å; P51-Q53 PolarHBondContact O-N 2.65Å; P51-F54 WeakPolarHBondContact O-CB 3.28Å; P51-F54 PolarHBondContact O-N 2.81Å
52A71.2Confident81.9Confident49 Ų4955.3 Ų55.341%0.40530%0.3SS..Hα-helixtrans-62.7-37.7177.500000112.2S50 F54 R56S50-A52 PolarHBondContact O-N 3.5Å; S50-A52 VanDerWaalsContact O-N 3.16Å; A52-F54 VanDerWaalsContact C-N 3.3Å; A52-R56 WeakPolarHBondContact O-CB 3.37Å; A52-R56 PolarHBondContact O-N 3.42Å
53Q68.9Low82.3Confident48 Ų4858.4 Ų58.422%0.22431%0.306CS..Hα-helixtrans-81.1-9.9-179.8-64.6177.45.300113.3S50 P51S50-Q53 PolarHBondContact O-N 2.78Å; P51-Q53 VanDerWaalsContact C-N 3.31Å; P51-Q53 PolarHBondContact O-N 2.65Å
54F68.6Low82.4Confident71 Ų7157.4 Ų57.431%0.31129%0.294SS..Hα-helixtrans-73.9-35.6-175.2-167.9-107.4000112.6V13 V46 P48 P51 A52V13-F54 HydrophobicContact CB-CE1 4.14Å; V13-F54 HydrophobicContact CB-CZ 4.35Å; V13-F54 HydrophobicContact CG1-CE1 3.63Å; V13-F54 HydrophobicContact CG1-CZ 4.05Å; V13-F54 HydrophobicContact CG2-CD1 4.43Å; V13-F54 HydrophobicContact CG2-CE1 3.53Å; V13-F54 HydrophobicContact CG2-CE2 4.17Å; V13-F54 HydrophobicContact CG2-CZ 3.37Å; V46-F54 HydrophobicContact CG1-CE2 4.25Å; P48-F54 HydrophobicContact CB-CB 4.08Å; P48-F54 HydrophobicContact CB-CD2 3.9Å; P48-F54 HydrophobicContact CB-CG 4.14Å; P48-F54 HydrophobicContact CG-CB 3.9Å; P48-F54 HydrophobicContact CG-CD1 4.09Å; P48-F54 HydrophobicContact CG-CD2 3.24Å; P48-F54 HydrophobicContact CG-CE2 3.72Å; P48-F54 HydrophobicContact CG-CG 3.47Å; P48-F54 VanDerWaalsContact CG-CG 3.47Å; P48-F54 HydrophobicContact CG-CZ 4.34Å; P51-F54 WeakPolarHBondContact O-CB 3.28Å; P51-F54 PolarHBondContact O-N 2.81Å; A52-F54 VanDerWaalsContact C-N 3.3Å
55Y63.3Low82.4Confident64 Ų6458.5 Ų58.525%0.25130%0.299SS..Hα-helixtrans-122.1-27.7179.1-76.7-63.1000115.2V13 I16 I17 Y20 L34 L37V13-Y55 WeakPolarHBondContact CG1-OH 3.07Å; I16-Y55 HydrophobicContact CG2-CD2 3.67Å; I16-Y55 HydrophobicContact CG2-CE2 3.82Å; I17-Y55 WeakPolarHBondContact CD1-OH 3.29Å; I17-Y55 HydrophobicContact CG1-CE2 3.56Å; I17-Y55 WeakPolarHBondContact CG1-OH 3.32Å; Y20-Y55 HydrophobicContact CD2-CD2 4.03Å; Y20-Y55 AromaticContact CE2-CD2 3.92Å; Y20-Y55 HydrophobicContact CE2-CD2 3.92Å; Y20-Y55 HydrophobicContact CE2-CG 4.43Å; L34-Y55 HydrophobicContact CD2-CD1 4.33Å; L34-Y55 HydrophobicContact CD2-CE1 4.21Å; L37-Y55 HydrophobicContact CD1-CE1 3.67Å
56R62.7Low82.5Confident136 Ų13657.7 Ų57.751%0.51330%0.295SS..SBendtrans-94.7134.5178.5-72.2178164.6-178.8-3.7109.1Y20 A52 V58Y20-R56 HydrophobicContact CE1-CG 4.19Å; A52-R56 WeakPolarHBondContact O-CB 3.37Å; A52-R56 PolarHBondContact O-N 3.42Å; R56-V58 HydrophobicContact CB-CG2 3.6Å; R56-V58 PolarHBondContact O-N 2.84Å
57H63.3Low82.7Confident119 Ų11956.6 Ų56.655%0.55129%0.289SS*.  trans-71.668.8162.1-64.1-64.5000109P103H57-P103 HydrophobicContact CB-CB 4.46Å; H57-P103 VanDerWaalsContact O-CB 3.27Å; H57-P103 WeakPolarHBondContact O-CB 3.35Å
58V66.9Low82.7Confident68 Ų6855.6 Ų55.641%0.41229%0.285SS..  trans-80.2133.4167.9-1700000106.6R56 G60R56-V58 HydrophobicContact CB-CG2 3.6Å; R56-V58 PolarHBondContact O-N 2.84Å; V58-G60 PolarHBondContact O-N 3.38Å
59S75.4Confident82.8Confident80 Ų8059.4 Ų59.456%0.55930%0.299SS*.  trans-53.2129.5171.5-166.10000109
60G81.6Confident82.9Confident18 Ų1858.3 Ų58.319%0.18629%0.293CS..  trans-149.3168.8178.400000111.3V58 L100 P101V58-G60 PolarHBondContact O-N 3.38Å; G60-L100 PolarHBondContact N-O 3.24Å; G60-L100 CarbonylContact O-C 3.47Å; G60-P101 VanDerWaalsContact O-CA 3.31Å; G60-P101 WeakPolarHBondContact O-CA 3.42Å
61Q90.9Very high83.2Confident152 Ų15262.2 Ų62.271%0.7130%0.301SS*.  trans-54.7151.1164.4-66.3-64.3-2500109.3R63Q61-R63 HydrophobicContact CB-CB 4.42Å; Q61-R63 PolarHBondContact O-N 3.3Å
62P93.8Very high83.9Confident35 Ų3563.1 Ų63.123%0.22732%0.319CS..SBendtrans-72.456.4174.231.4-33.7000110.2T97 P101 D134 S135P62-T97 WeakPolarHBondContact O-CG2 3.26Å; P62-P101 HydrophobicContact CB-CG 3.61Å; P62-P101 HydrophobicContact CG-CG 4.07Å; P62-D134 CarbonylContact O-C 3.55Å; P62-D134 WeakPolarHBondContact O-CA 3.49Å; P62-S135 WeakPolarHBondContact CB-O 3.49Å; P62-S135 VanDerWaalsContact CG-O 3.31Å; P62-S135 WeakPolarHBondContact CG-O 3.36Å; P62-S135 PolarHBondContact O-N 3.47Å
63R93.9Very high85Confident114 Ų11468 Ų6843%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-146.4132.7-175.3-171.4177.3-178.4-165.61.1109.8Q61 E132 C133 D134Q61-R63 HydrophobicContact CB-CB 4.42Å; Q61-R63 PolarHBondContact O-N 3.3Å; R63-E132 IonicContact CZ-OE1 3.23Å; R63-E132 VanDerWaalsContact CZ-OE1 3.3Å; R63-E132 IonicContact NE-OE1 2.75Å; R63-E132 PolarHBondContact NE-OE1 2.98Å; R63-E132 IonicContact NH2-OE1 3.7Å; R63-E132 PolarHBondContact NH2-OE1 3.34Å; R63-C133 CarbonylContact C-O 3.55Å; R63-C133 VanDerWaalsContact CA-O 3.25Å; R63-C133 WeakPolarHBondContact CA-O 3.3Å; R63-D134 HydrophobicContact CB-CB 4.48Å; R63-D134 HydrophobicContact CG-CB 4.38Å
64R92.9Very high86.2Confident51 Ų5167.5 Ų67.519%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-134.3135.8179.8-173.5-180-68.4173.42109.5F66 A93 T97 L100 C133R64-F66 HydrophobicContact CG-CD1 4.12Å; R64-A93 PolarHBondContact NH1-O 3.04Å; R64-T97 HydrophobicContact CB-CG2 4.46Å; R64-L100 HydrophobicContact CB-CD1 4.11Å; R64-C133 HydrophobicContact CB-CB 4.4Å; R64-C133 PolarHBondContact N-O 3.37Å; R64-C133 PolarHBondContact O-N 2.89Å
65L95.8Very high87.3Confident30 Ų3064.8 Ų64.816%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-125.9131.7178-57.8173.9000108.7P2 V4 V49 L130 Y131 E132P2-L65 HydrophobicContact CB-CD1 4.33Å; P2-L65 HydrophobicContact CG-CD2 4.24Å; V4-L65 HydrophobicContact CG1-CD1 3.65Å; V49-L65 HydrophobicContact CB-CB 3.9Å; V49-L65 WeakPolarHBondContact CB-O 3.38Å; V49-L65 HydrophobicContact CG1-CB 4.4Å; V49-L65 HydrophobicContact CG2-CB 3.83Å; V49-L65 PolarHBondContact N-O 2.85Å; L65-L130 HydrophobicContact CB-CD1 4.45Å; L65-Y131 WeakPolarHBondContact CA-O 3.4Å; L65-E132 HydrophobicContact CD2-CB 3.48Å; L65-E132 VanDerWaalsContact CD2-CB 3.48Å; L65-E132 HydrophobicContact CD2-CG 3.57Å
66F96.8Very high88.5Confident9 Ų969 Ų694%0.03935%0.345CS..EExtended strand (participates in β ladder)trans-153.6147.1173.158.3-84.5000110.8V46 K47 R64 A68 A93 Y131V46-F66 HydrophobicContact CG1-CB 4.14Å; V46-F66 HydrophobicContact CG1-CD2 3.77Å; V46-F66 HydrophobicContact CG1-CG 4.21Å; V46-F66 HydrophobicContact CG2-CD2 4.47Å; K47-F66 WeakPolarHBondContact O-CA 3.4Å; R64-F66 HydrophobicContact CG-CD1 4.12Å; F66-A68 HydrophobicContact CD2-CB 4.12Å; F66-A68 HydrophobicContact CE2-CB 4.07Å; F66-A93 HydrophobicContact CE1-CB 3.65Å; F66-A93 HydrophobicContact CZ-CB 3.71Å; F66-Y131 AromaticContact CE1-CD1 3.95Å; F66-Y131 HydrophobicContact CE1-CD1 3.95Å; F66-Y131 HydrophobicContact CE1-CG 4.28Å; F66-Y131 AromaticContact CE2-CD1 3.73Å; F66-Y131 HydrophobicContact CE2-CD1 3.73Å; F66-Y131 HydrophobicContact CE2-CG 4.28Å; F66-Y131 AromaticContact CZ-CD1 3.21Å; F66-Y131 HydrophobicContact CZ-CD1 3.21Å; F66-Y131 AromaticContact CZ-CE1 3.98Å; F66-Y131 HydrophobicContact CZ-CE1 3.98Å; F66-Y131 AromaticContact CZ-CG 3.88Å; F66-Y131 HydrophobicContact CZ-CG 3.88Å; F66-Y131 PolarHBondContact N-O 2.88Å; F66-Y131 VanDerWaalsContact N-O 3.08Å; F66-Y131 PolarHBondContact O-N 3.36Å
67W97.9Very high89.7Confident0 Ų066.5 Ų66.50%036%0.362CS..EExtended strand (participates in β ladder)trans-81139.5168.2-68.193.9000109.4M1 V4 P5 P7 L10 V46 K47 W128 M129 L130 R152M1-W67 HydrophobicContact SD-CH2 4.49Å; V4-W67 HydrophobicContact CG2-CZ2 4.12Å; P5-W67 PolarHBondContact O-NE1 3.2Å; P7-W67 HydrophobicContact CB-CB 3.98Å; P7-W67 HydrophobicContact CB-CD2 4.15Å; P7-W67 HydrophobicContact CB-CG 3.81Å; P7-W67 HydrophobicContact CG-CD2 4.07Å; P7-W67 HydrophobicContact CG-CE3 4.3Å; P7-W67 HydrophobicContact CG-CG 4.27Å; L10-W67 VanDerWaalsContact CD1-CD1 3.49Å; V46-W67 CarbonylContact C-O 3.6Å; V46-W67 WeakPolarHBondContact CA-O 3.27Å; K47-W67 HydrophobicContact CB-CB 4.25Å; K47-W67 PolarHBondContact N-O 2.82Å; K47-W67 PolarHBondContact O-N 3.35Å; W67-W128 HydrophobicContact CB-CE3 3.74Å; W67-W128 HydrophobicContact CB-CZ3 4.02Å; W67-W128 HydrophobicContact CE3-CB 3.86Å; W67-W128 HydrophobicContact CZ3-CB 4.25Å; W67-M129 CarbonylContact C-O 3.5Å; W67-M129 WeakPolarHBondContact CA-O 3.36Å; W67-L130 HydrophobicContact CD2-CB 4.09Å; W67-L130 HydrophobicContact CD2-CD1 4.25Å; W67-L130 HydrophobicContact CE3-CB 3.89Å; W67-L130 VanDerWaalsContact CE3-N 3.34Å; W67-L130 HydrophobicContact CG-CD1 4.41Å; W67-L130 HydrophobicContact CH2-CB 3.88Å; W67-L130 HydrophobicContact CZ2-CB 4.08Å; W67-L130 HydrophobicContact CZ3-CB 3.78Å; W67-R152 HydrophobicContact CH2-CG 4.28Å; W67-R152 HydrophobicContact CZ3-CB 4.43Å; W67-R152 HydrophobicContact CZ3-CG 4.45Å
68A97.6Very high91.1Very high3 Ų364.2 Ų64.23%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-137.1146.8176.400000110.8I44 E45 F66 V89 M129I44-A68 HydrophobicContact CG2-CB 4.23Å; E45-A68 VanDerWaalsContact O-CA 3.28Å; E45-A68 WeakPolarHBondContact O-CA 3.16Å; F66-A68 HydrophobicContact CD2-CB 4.12Å; F66-A68 HydrophobicContact CE2-CB 4.07Å; A68-V89 HydrophobicContact CB-CG1 3.91Å; A68-M129 PolarHBondContact N-O 2.79Å; A68-M129 PolarHBondContact O-N 3.27Å
69R97.1Very high92.5Very high84 Ų8463.7 Ų63.732%0.31735%0.348SS..EExtended strand (participates in β ladder)trans-153.7154.5166.667.6176.9179.7176-1.5110.6I44 E45 S125 E127 W128I44-R69 CarbonylContact C-O 3.53Å; I44-R69 WeakPolarHBondContact CA-O 3.49Å; E45-R69 HydrophobicContact CB-CG 4.07Å; E45-R69 PolarHBondContact N-O 3.49Å; E45-R69 PolarHBondContact O-N 2.77Å; E45-R69 IonicContact OE1-NH2 2.99Å; E45-R69 IonicContact OE2-CZ 2.66Å; E45-R69 VanDerWaalsContact OE2-CZ 3.22Å; E45-R69 IonicContact OE2-NE 3.38Å; E45-R69 PolarHBondContact OE2-NE 2.83Å; E45-R69 IonicContact OE2-NH2 3.22Å; E45-R69 PolarHBondContact OE2-NH2 3.33Å; R69-S125 CarbonylContact C-O 3.56Å; R69-S125 WeakPolarHBondContact CA-O 3.24Å; R69-E127 VanDerWaalsContact CB-O 3.27Å; R69-E127 WeakPolarHBondContact CB-O 3.4Å; R69-W128 HydrophobicContact CB-CD2 4.38Å; R69-W128 HydrophobicContact CB-CE3 4.02Å; R69-W128 HydrophobicContact CB-CZ3 4.41Å; R69-W128 HydrophobicContact CG-CD2 4Å; R69-W128 HydrophobicContact CG-CE3 3.77Å; R69-W128 HydrophobicContact CG-CH2 4.07Å; R69-W128 HydrophobicContact CG-CZ2 4.26Å; R69-W128 HydrophobicContact CG-CZ3 3.82Å
70A96.5Very high93.5Very high10 Ų1068.3 Ų68.38%0.08336%0.358CS..EExtended strand (participates in β ladder)trans-66.5143.4166.700000110.9I44 I74 V85 S125I44-A70 HydrophobicContact CD1-CB 4.18Å; A70-I74 HydrophobicContact CB-CD1 4.07Å; A70-V85 HydrophobicContact CB-CG1 3.87Å; A70-S125 PolarHBondContact N-O 3.32Å
71R94.6Very high94.3Very high123 Ų12370.9 Ų70.946%0.46437%0.367SS..SBendtrans-76.8135167.8-63.4-174.9-175.9-96.17.8108.8E14 V42 P43 E45E14-R71 IonicContact OE1-NH2 3.68Å; E14-R71 PolarHBondContact OE1-NH2 3.25Å; V42-R71 VanDerWaalsContact O-CD 3.31Å; V42-R71 WeakPolarHBondContact O-CD 3.29Å; V42-R71 PolarHBondContact O-NE 3.27Å; P43-R71 PolarHBondContact O-N 2.87Å; E45-R71 HydrophobicContact CB-CG 4.27Å
72G91.3Very high94.6Very high62 Ų6263.6 Ų63.664%0.63933%0.333SS*.SBendtrans92.7-177.2-178.400000113.4
73H94.3Very high94.8Very high151 Ų15163.2 Ų63.270%0.69933%0.331SS*.  trans-107.3125.9-176.4-176.662.1000110.6G75 R124 D126H73-G75 VanDerWaalsContact CE1-CA 3.49Å; H73-G75 WeakPolarHBondContact CE1-CA 3.29Å; H73-G75 WeakPolarHBondContact NE2-CA 3.27Å; H73-R124 PolarHBondContact CE1-NH2 2.75Å; H73-D126 IonicContact ND1-OD2 2.75Å; H73-D126 PolarHBondContact ND1-OD2 3.35Å
74I95.6Very high95Very high38 Ų3861.7 Ų61.720%0.19534%0.336CS..  trans-97.6-32.4175.3-64.5170.8000110.6A70 L81 H82 V85 D126A70-I74 HydrophobicContact CB-CD1 4.07Å; I74-L81 HydrophobicContact CG2-CB 4.22Å; I74-L81 HydrophobicContact CG2-CD2 3.83Å; I74-L81 HydrophobicContact CG2-CG 3.93Å; I74-H82 VanDerWaalsContact CG2-CE1 3.41Å; I74-H82 WeakPolarHBondContact CG2-CE1 3.41Å; I74-H82 WeakPolarHBondContact CG2-NE2 3.4Å; I74-V85 HydrophobicContact CD1-CB 4.4Å; I74-V85 HydrophobicContact CD1-CG1 4.42Å; I74-V85 HydrophobicContact CD1-CG2 3.9Å; I74-D126 HydrophobicContact CB-CB 4.25Å; I74-D126 HydrophobicContact CD1-CB 4.07Å; I74-D126 HydrophobicContact CG1-CB 4.08Å; I74-D126 PolarHBondContact N-OD2 3.1Å
75G91.1Very high95.2Very high13 Ų1360.4 Ų60.413%0.13433%0.334CS..  trans88.5159.4-17800000113.8H73 H82 D126H73-G75 VanDerWaalsContact CE1-CA 3.49Å; H73-G75 WeakPolarHBondContact CE1-CA 3.29Å; H73-G75 WeakPolarHBondContact NE2-CA 3.27Å; G75-H82 PolarHBondContact O-NE2 2.83Å; G75-D126 PolarHBondContact N-OD2 2.82Å
76E88.8Confident95.3Very high152 Ų15259 Ų5971%0.7133%0.327SS*.THydrogen-bonded Turntrans-74.8-31.7-170.5-61.5-179.8178.800113.5N78 R124E76-N78 PolarHBondContact O-N 2.86Å; E76-R124 IonicContact OE1-NH1 3.07Å
77G87.9Confident95.3Very high85 Ų8560.6 Ų60.688%0.87634%0.342SS*.THydrogen-bonded Turntrans-79.6-9.4-171.500000115.8
78N93.1Very high95.2Very high70 Ų7066.8 Ų66.837%0.37437%0.366SS..  trans-105.961.4-171.7-161.9-11.5000113.1E76 K80 L81 H82E76-N78 PolarHBondContact O-N 2.86Å; N78-K80 PolarHBondContact O-N 3.25Å; N78-L81 HydrophobicContact CB-CB 4.19Å; N78-L81 WeakPolarHBondContact ND2-CB 3.43Å; N78-L81 PolarHBondContact O-N 2.97Å; N78-L81 VanDerWaalsContact O-N 3.08Å; N78-L81 WeakPolarHBondContact OD1-CB 3.41Å; N78-L81 PolarHBondContact OD1-N 3.49Å; N78-L81 VanDerWaalsContact OD1-N 3.15Å; N78-H82 PolarHBondContact O-CD2 2.72Å; N78-H82 VanDerWaalsContact O-CD2 3.25Å; N78-H82 PolarHBondContact O-N 2.89Å
79M96Very high95.2Very high58 Ų5867.1 Ų67.129%0.28637%0.368SS..Hα-helixtrans-57.3-32.7-179.4-171.656.152.700113.2L81 H82 C83 T122 F123M79-L81 PolarHBondContact O-N 2.88Å; M79-H82 PolarHBondContact O-N 2.76Å; M79-H82 HydrophobicContact SD-CB 4.27Å; M79-C83 PolarHBondContact O-N 3.03Å; M79-C83 PolarHBondContact O-SG 2.75Å; M79-C83 VanDerWaalsContact O-SG 3.33Å; M79-T122 HydrophobicContact CE-CG2 3.83Å; M79-F123 VanDerWaalsContact CE-O 3.25Å; M79-F123 WeakPolarHBondContact CE-O 3.45Å
80K96.6Very high95.1Very high176 Ų17663.1 Ų63.177%0.76535%0.352SS*.Hα-helixtrans-61.9-45176.6-66.5-177.8-177.71790111.4N78 C83 C84N78-K80 PolarHBondContact O-N 3.25Å; K80-C83 PolarHBondContact O-N 2.96Å; K80-C84 PolarHBondContact O-N 2.89Å; K80-C84 PolarHBondContact O-SG 3.43Å
81L97.2Very high95.1Very high72 Ų7266.3 Ų66.338%0.37737%0.368SS..Hα-helixtrans-67-39.1176.2-176.453.7000111.5I74 N78 M79 C83 C84 V85I74-L81 HydrophobicContact CG2-CB 4.22Å; I74-L81 HydrophobicContact CG2-CD2 3.83Å; I74-L81 HydrophobicContact CG2-CG 3.93Å; N78-L81 HydrophobicContact CB-CB 4.19Å; N78-L81 WeakPolarHBondContact ND2-CB 3.43Å; N78-L81 PolarHBondContact O-N 2.97Å; N78-L81 VanDerWaalsContact O-N 3.08Å; N78-L81 WeakPolarHBondContact OD1-CB 3.41Å; N78-L81 PolarHBondContact OD1-N 3.49Å; N78-L81 VanDerWaalsContact OD1-N 3.15Å; M79-L81 PolarHBondContact O-N 2.88Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 2.68Å; L81-C84 PolarHBondContact O-N 3.22Å; L81-V85 HydrophobicContact CD1-CG2 4.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 3.39Å
82H98Very high94.7Very high0 Ų064.4 Ų64.40%036%0.363CS..Hα-helixtrans-57.7-44.8172.3-74.3-62000112.3I74 G75 N78 M79 V85 A86 F123 S125 D126I74-H82 VanDerWaalsContact CG2-CE1 3.41Å; I74-H82 WeakPolarHBondContact CG2-CE1 3.41Å; I74-H82 WeakPolarHBondContact CG2-NE2 3.4Å; G75-H82 PolarHBondContact O-NE2 2.83Å; N78-H82 PolarHBondContact O-CD2 2.72Å; N78-H82 VanDerWaalsContact O-CD2 3.25Å; N78-H82 PolarHBondContact O-N 2.89Å; M79-H82 PolarHBondContact O-N 2.76Å; M79-H82 HydrophobicContact SD-CB 4.27Å; H82-V85 PolarHBondContact O-N 3.2Å; H82-A86 WeakPolarHBondContact O-CB 3.34Å; H82-A86 PolarHBondContact O-N 3.19Å; H82-F123 HydrophobicContact CB-CD2 4.48Å; H82-F123 HydrophobicContact CB-CE2 4.1Å; H82-S125 PolarHBondContact ND1-N 3.17Å; H82-S125 PolarHBondContact O-OG 2.76Å; H82-D126 IonicContact CE1-OD1 3.9Å; H82-D126 PolarHBondContact CE1-OD1 2.86Å; H82-D126 VanDerWaalsContact CE1-OD1 3.27Å
83C98.1Very high94.5Very high27 Ų2762.2 Ų62.218%0.18234%0.34CS..Hα-helixtrans-62.1-42.4174.6-68.40000112.6M79 K80 L81 V85 A86 A87 F119M79-C83 PolarHBondContact O-N 3.03Å; M79-C83 PolarHBondContact O-SG 2.75Å; M79-C83 VanDerWaalsContact O-SG 3.33Å; K80-C83 PolarHBondContact O-N 2.96Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 2.68Å; C83-V85 VanDerWaalsContact C-N 3.35Å; C83-V85 PolarHBondContact O-N 3.23Å; C83-A86 PolarHBondContact O-N 3Å; C83-A87 WeakPolarHBondContact O-CB 3.31Å; C83-A87 PolarHBondContact O-N 3.08Å; C83-F119 HydrophobicContact CB-CD1 4.31Å; C83-F119 HydrophobicContact CB-CE1 3.79Å; C83-F119 HydrophobicContact CB-CE2 4.2Å; C83-F119 HydrophobicContact CB-CZ 3.73Å
84C97.4Very high94.5Very high81 Ų8155 Ų5555%0.54731%0.306SS..Hα-helixtrans-61.2-43.5175.3-68.30000112K80 L81 A87 Y88K80-C84 PolarHBondContact O-N 2.89Å; K80-C84 PolarHBondContact O-SG 3.43Å; L81-C84 PolarHBondContact O-N 3.22Å; C84-A87 PolarHBondContact O-N 2.89Å; C84-Y88 PolarHBondContact O-N 2.92Å
85V97.3Very high94.5Very high24 Ų2454 Ų5415%0.14530%0.301CS..Hα-helixtrans-66.8-41.4177.1172.70000110.8I44 A70 I74 L81 H82 C83 A87 Y88 V89 S125I44-V85 HydrophobicContact CD1-CG1 4.21Å; A70-V85 HydrophobicContact CB-CG1 3.87Å; I74-V85 HydrophobicContact CD1-CB 4.4Å; I74-V85 HydrophobicContact CD1-CG1 4.42Å; I74-V85 HydrophobicContact CD1-CG2 3.9Å; L81-V85 HydrophobicContact CD1-CG2 4.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 3.39Å; H82-V85 PolarHBondContact O-N 3.2Å; C83-V85 VanDerWaalsContact C-N 3.35Å; C83-V85 PolarHBondContact O-N 3.23Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 2.86Å; V85-Y88 WeakPolarHBondContact O-CB 3.33Å; V85-Y88 PolarHBondContact O-N 3.43Å; V85-V89 HydrophobicContact CG1-CG2 4.31Å; V85-V89 VanDerWaalsContact O-CG2 3.27Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 3.17Å; V85-S125 VanDerWaalsContact CG1-CB 3.49Å
86A97.6Very high94.5Very high2 Ų255.1 Ų55.12%0.01731%0.312CS..Hα-helixtrans-64.3-38.3175.600000111.9H82 C83 V89 S90 M117 F119 F123 L149H82-A86 WeakPolarHBondContact O-CB 3.34Å; H82-A86 PolarHBondContact O-N 3.19Å; C83-A86 PolarHBondContact O-N 3Å; A86-V89 PolarHBondContact O-N 3.27Å; A86-S90 VanDerWaalsContact O-CB 3.29Å; A86-S90 WeakPolarHBondContact O-CB 3.43Å; A86-S90 PolarHBondContact O-N 3.19Å; A86-M117 HydrophobicContact CB-CE 4Å; A86-F119 HydrophobicContact CB-CE1 4.29Å; A86-F123 HydrophobicContact CB-CE2 3.58Å; A86-F123 HydrophobicContact CB-CZ 3.8Å; A86-L149 HydrophobicContact CB-CD1 4.07Å
87A97.7Very high94.8Very high41 Ų4147.9 Ų47.934%0.33928%0.278SS..Hα-helixtrans-60.8-44.5172.300000111.2C83 C84 V85 S90 M117C83-A87 WeakPolarHBondContact O-CB 3.31Å; C83-A87 PolarHBondContact O-N 3.08Å; C84-A87 PolarHBondContact O-N 2.89Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 2.86Å; A87-S90 PolarHBondContact O-N 3.14Å; A87-S90 PolarHBondContact O-OG 3.22Å; A87-M117 HydrophobicContact CB-SD 4.14Å
88Y96.3Very high95.1Very high131 Ų13144 Ų4451%0.51424%0.237SC..Hα-helixtrans-61.4-46.2174.1-177.5-100.7000112.6P43 I44 C84 V85 S90 F92P43-Y88 HydrophobicContact CG-CE1 4.02Å; I44-Y88 HydrophobicContact CD1-CD1 4.26Å; I44-Y88 HydrophobicContact CG1-CD1 4.08Å; I44-Y88 HydrophobicContact CG1-CE1 4.01Å; C84-Y88 PolarHBondContact O-N 2.92Å; V85-Y88 WeakPolarHBondContact O-CB 3.33Å; V85-Y88 PolarHBondContact O-N 3.43Å; Y88-S90 VanDerWaalsContact C-N 3.28Å; Y88-S90 PolarHBondContact O-N 3.02Å; Y88-F92 AromaticContact CD1-CE2 3.65Å; Y88-F92 HydrophobicContact CD1-CE2 3.65Å; Y88-F92 HydrophobicContact CD1-CZ 4.42Å; Y88-F92 AromaticContact CE1-CE2 3.3Å; Y88-F92 HydrophobicContact CE1-CE2 3.3Å; Y88-F92 AromaticContact CE1-CZ 3.65Å; Y88-F92 HydrophobicContact CE1-CZ 3.65Å; Y88-F92 AromaticContact CZ-CE2 3.94Å; Y88-F92 WeakPolarHBondContact O-CD2 3.25Å
89V96.2Very high95.1Very high9 Ų941.7 Ų41.76%0.05523%0.225CC..Hα-helixtrans-62-36.2176.71710000111.6I44 A68 V85 A86 D91 F92 Y131I44-V89 HydrophobicContact CD1-CG2 3.5Å; I44-V89 VanDerWaalsContact CD1-CG2 3.5Å; I44-V89 HydrophobicContact CG1-CG2 3.83Å; I44-V89 HydrophobicContact CG2-CG2 3.97Å; A68-V89 HydrophobicContact CB-CG1 3.91Å; V85-V89 HydrophobicContact CG1-CG2 4.31Å; V85-V89 VanDerWaalsContact O-CG2 3.27Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; V85-V89 PolarHBondContact O-N 3.17Å; A86-V89 PolarHBondContact O-N 3.27Å; V89-D91 PolarHBondContact O-N 3.5Å; V89-D91 VanDerWaalsContact O-N 3.08Å; V89-F92 PolarHBondContact O-N 3.44Å; V89-F92 VanDerWaalsContact O-N 3.16Å; V89-Y131 HydrophobicContact CG1-CD1 4.4Å
90S96.7Very high94.8Very high0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-61.2-22.8-173.174.30000113.6A86 A87 Y88 L94 H115 Y131A86-S90 VanDerWaalsContact O-CB 3.29Å; A86-S90 WeakPolarHBondContact O-CB 3.43Å; A86-S90 PolarHBondContact O-N 3.19Å; A87-S90 PolarHBondContact O-N 3.14Å; A87-S90 PolarHBondContact O-OG 3.22Å; Y88-S90 VanDerWaalsContact C-N 3.28Å; Y88-S90 PolarHBondContact O-N 3.02Å; S90-L94 WeakPolarHBondContact O-CB 3.34Å; S90-H115 PolarHBondContact OG-CE1 3.07Å; S90-H115 PolarHBondContact OG-NE2 3.18Å; S90-Y131 WeakPolarHBondContact O-CE1 2.94Å; S90-Y131 PolarHBondContact O-OH 3.27Å
91D94.4Very high94.6Very high77 Ų7732.9 Ų32.941%0.41219%0.19SC..THydrogen-bonded Turntrans-100.91.7-178.3-159.329000114.4V89 A93 Q162V89-D91 PolarHBondContact O-N 3.5Å; V89-D91 VanDerWaalsContact O-N 3.08Å; D91-A93 PolarHBondContact O-N 3.33Å; D91-Q162 PolarHBondContact OD1-NE2 3.47Å; D91-Q162 PolarHBondContact OD1-OE1 3.47Å
92F86.9Confident94.3Very high83 Ų8334.4 Ų34.436%0.36419%0.191SC..SBendtrans-61.2-40.9-177-99.8-98.6000114.7V42 I44 Y88 V89V42-F92 HydrophobicContact CG1-CE1 3.66Å; V42-F92 HydrophobicContact CG1-CZ 3.82Å; I44-F92 HydrophobicContact CB-CE2 4.36Å; I44-F92 HydrophobicContact CB-CZ 4.15Å; I44-F92 HydrophobicContact CG1-CE2 3.74Å; I44-F92 HydrophobicContact CG1-CZ 3.84Å; Y88-F92 AromaticContact CD1-CE2 3.65Å; Y88-F92 HydrophobicContact CD1-CE2 3.65Å; Y88-F92 HydrophobicContact CD1-CZ 4.42Å; Y88-F92 AromaticContact CE1-CE2 3.3Å; Y88-F92 HydrophobicContact CE1-CE2 3.3Å; Y88-F92 AromaticContact CE1-CZ 3.65Å; Y88-F92 HydrophobicContact CE1-CZ 3.65Å; Y88-F92 AromaticContact CZ-CE2 3.94Å; Y88-F92 WeakPolarHBondContact O-CD2 3.25Å; V89-F92 PolarHBondContact O-N 3.44Å; V89-F92 VanDerWaalsContact O-N 3.16Å
93A87.1Confident93.8Very high17 Ų1736.4 Ų36.414%0.1420%0.204CC..SBendtrans-138.4-0.3-166.800000113.3R64 F66 D91 G96 T97R64-A93 PolarHBondContact NH1-O 3.04Å; F66-A93 HydrophobicContact CE1-CB 3.65Å; F66-A93 HydrophobicContact CZ-CB 3.71Å; D91-A93 PolarHBondContact O-N 3.33Å; A93-G96 PolarHBondContact O-N 3.2Å; A93-T97 PolarHBondContact O-OG1 3.38Å
94L94.9Very high93.3Very high0 Ų041.3 Ų41.30%022%0.223CC..THydrogen-bonded Turntrans-63.5-61.4-168.2-178.459.2000111.3S90 G96 T97 C133 A145 Q146 Q162S90-L94 WeakPolarHBondContact O-CB 3.34Å; L94-G96 PolarHBondContact O-N 3.16Å; L94-T97 WeakPolarHBondContact O-CB 3.46Å; L94-T97 PolarHBondContact O-N 3.08Å; L94-T97 PolarHBondContact O-OG1 2.9Å; L94-C133 HydrophobicContact CD1-CB 4.07Å; L94-A145 HydrophobicContact CD1-CB 3.73Å; L94-A145 HydrophobicContact CG-CB 3.73Å; L94-Q146 WeakPolarHBondContact CD1-O 3.21Å; L94-Q162 HydrophobicContact CD2-CB 3.68Å; L94-Q162 HydrophobicContact CG-CB 4.4Å
95L94.9Very high92.9Very high17 Ų1742.6 Ų42.69%0.08922%0.217CC..G310 helixtrans-62.5-31.2-177.9-171.761.5000112.9T97 V98 L166L95-T97 PolarHBondContact O-N 2.88Å; L95-T97 VanDerWaalsContact O-N 3.14Å; L95-V98 HydrophobicContact CD1-CG2 4.08Å; L95-V98 WeakPolarHBondContact O-CB 3.46Å; L95-V98 VanDerWaalsContact O-CG2 3.3Å; L95-V98 WeakPolarHBondContact O-CG2 3.44Å; L95-V98 PolarHBondContact O-N 3.39Å; L95-V98 VanDerWaalsContact O-N 3.17Å; L95-L166 HydrophobicContact CD1-CD1 4.09Å
96G91.9Very high92.5Very high35 Ų3544.9 Ų44.936%0.36123%0.225SC..G310 helixtrans-61.8-19.8176.200000114.1A93 L94 V98 L99A93-G96 PolarHBondContact O-N 3.2Å; L94-G96 PolarHBondContact O-N 3.16Å; G96-V98 VanDerWaalsContact C-N 3.27Å; G96-V98 PolarHBondContact O-N 2.99Å; G96-L99 PolarHBondContact O-N 3.23Å
97T93.8Very high92.2Very high0 Ų046.8 Ų46.80%024%0.24CC..G310 helixtrans-64-32.5176.5-55.70000112.1P62 R64 A93 L94 L95 L99 L100 C133P62-T97 WeakPolarHBondContact O-CG2 3.26Å; R64-T97 HydrophobicContact CB-CG2 4.46Å; A93-T97 PolarHBondContact O-OG1 3.38Å; L94-T97 WeakPolarHBondContact O-CB 3.46Å; L94-T97 PolarHBondContact O-N 3.08Å; L94-T97 PolarHBondContact O-OG1 2.9Å; L95-T97 PolarHBondContact O-N 2.88Å; L95-T97 VanDerWaalsContact O-N 3.14Å; T97-L99 PolarHBondContact O-N 3.24Å; T97-L100 HydrophobicContact CG2-CD1 4.22Å; T97-L100 WeakPolarHBondContact O-CB 3.14Å; T97-L100 PolarHBondContact O-N 2.75Å; T97-C133 HydrophobicContact CG2-CB 4.2Å; T97-C133 WeakPolarHBondContact OG1-CB 3.32Å
98V95.3Very high92Very high3 Ų354 Ų542%0.01826%0.259CS..G310 helixtrans-57.7-34.1179.1-179.80000112.1L95 G96 P101 Y102 A138 A145 L166L95-V98 HydrophobicContact CD1-CG2 4.08Å; L95-V98 WeakPolarHBondContact O-CB 3.46Å; L95-V98 VanDerWaalsContact O-CG2 3.3Å; L95-V98 WeakPolarHBondContact O-CG2 3.44Å; L95-V98 PolarHBondContact O-N 3.39Å; L95-V98 VanDerWaalsContact O-N 3.17Å; G96-V98 VanDerWaalsContact C-N 3.27Å; G96-V98 PolarHBondContact O-N 2.99Å; V98-P101 WeakPolarHBondContact O-CD 3.39Å; V98-Y102 WeakPolarHBondContact O-CD2 3.41Å; V98-A138 HydrophobicContact CG1-CB 3.59Å; V98-A145 HydrophobicContact CG2-CB 4.15Å; V98-L166 HydrophobicContact CB-CD1 4.49Å; V98-L166 HydrophobicContact CB-CD2 4.08Å; V98-L166 HydrophobicContact CG1-CD1 3.97Å; V98-L166 HydrophobicContact CG1-CD2 4.05Å
99L92Very high91.9Very high23 Ų2353.4 Ų53.412%0.1226%0.259CS..G310 helixtrans-87.1-7-175.9-69.3179.5000114.4G96 T97 Y102 A107 L166 V168G96-L99 PolarHBondContact O-N 3.23Å; T97-L99 PolarHBondContact O-N 3.24Å; L99-Y102 PolarHBondContact O-N 3.16Å; L99-A107 HydrophobicContact CD1-CB 3.77Å; L99-L166 HydrophobicContact CD1-CD2 3.94Å; L99-L166 HydrophobicContact CD2-CD2 3.84Å; L99-L166 HydrophobicContact CG-CD2 3.59Å; L99-V168 HydrophobicContact CD2-CG1 3.71Å
100L91.5Very high91.8Very high8 Ų856.3 Ų56.34%0.04228%0.277CS..THydrogen-bonded Turntrans-57.8-39-177.6-73.3178.2000114.5G60 R64 T97 Y102G60-L100 PolarHBondContact N-O 3.24Å; G60-L100 CarbonylContact O-C 3.47Å; R64-L100 HydrophobicContact CB-CD1 4.11Å; T97-L100 HydrophobicContact CG2-CD1 4.22Å; T97-L100 WeakPolarHBondContact O-CB 3.14Å; T97-L100 PolarHBondContact O-N 2.75Å; L100-Y102 PolarHBondContact O-N 3.07Å
101P91.8Very high91.8Very high41 Ų4158 Ų5827%0.26629%0.291SS..THydrogen-bonded Turntrans-69-12.6175.7-21.435.1000114.4G60 P62 V98 P103G60-P101 VanDerWaalsContact O-CA 3.31Å; G60-P101 WeakPolarHBondContact O-CA 3.42Å; P62-P101 HydrophobicContact CB-CG 3.61Å; P62-P101 HydrophobicContact CG-CG 4.07Å; V98-P101 WeakPolarHBondContact O-CD 3.39Å; P101-P103 WeakPolarHBondContact O-CD 3.44Å
102Y90.3Very high92Very high103 Ų10357 Ų5740%0.40429%0.29SS..  trans-117.760.9-166.3-54.8-71.7000112.6V98 L99 L100 K104 Y105 A138V98-Y102 WeakPolarHBondContact O-CD2 3.41Å; L99-Y102 PolarHBondContact O-N 3.16Å; L100-Y102 PolarHBondContact O-N 3.07Å; Y102-K104 PolarHBondContact O-N 3.49Å; Y102-K104 VanDerWaalsContact O-N 3.1Å; Y102-Y105 PolarHBondContact O-N 3.49Å; Y102-A138 HydrophobicContact CE2-CB 4.04Å
103P87.3Confident92.5Very high42 Ų4257.6 Ų57.627%0.27330%0.296SS..THydrogen-bonded Turntrans-65.3-20.8-172.431.9-41.2000114.1H57 P101 Y105H57-P103 HydrophobicContact CB-CB 4.46Å; H57-P103 VanDerWaalsContact O-CB 3.27Å; H57-P103 WeakPolarHBondContact O-CB 3.35Å; P101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-Y105 PolarHBondContact O-N 2.74Å
104K88.4Confident93.1Very high131 Ų13160.7 Ų60.757%0.5731%0.311SS*.THydrogen-bonded Turntrans-74.5-7.6175.6-60.5-164.8178.1-151.40112.9Y102 P170 V171 E173Y102-K104 PolarHBondContact O-N 3.49Å; Y102-K104 VanDerWaalsContact O-N 3.1Å; K104-P170 CarbonylContact O-C 3.53Å; K104-P170 WeakPolarHBondContact O-CA 3.38Å; K104-V171 PolarHBondContact O-N 2.91Å; K104-E173 IonicContact NZ-OE1 3.41Å; K104-E173 PolarHBondContact NZ-OE1 3.3Å
105Y89.1Confident93.2Very high107 Ų10764.2 Ų64.242%0.4233%0.327SS..EExtended strand (participates in β ladder)trans-122142.1-177.2-65.5-79.6000110.2Y102 P103 V168 K169 P170Y102-Y105 PolarHBondContact O-N 3.49Å; P103-Y105 PolarHBondContact O-N 2.74Å; Y105-V168 HydrophobicContact CD1-CB 4.32Å; Y105-V168 HydrophobicContact CD1-CG2 3.89Å; Y105-V168 HydrophobicContact CG-CG2 4.31Å; Y105-K169 WeakPolarHBondContact CA-O 3.28Å; Y105-P170 HydrophobicContact CE1-CG 4.34Å
106K88.6Confident93.4Very high72 Ų7264.9 Ų64.931%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-120.1145.3169.457.4-179.9162.7-176.30110R108 V168 K169 V171K106-R108 PolarHBondContact O-N 3.39Å; K106-V168 CarbonylContact O-C 3.53Å; K106-V168 VanDerWaalsContact O-CA 3.31Å; K106-V168 WeakPolarHBondContact O-CA 3.29Å; K106-K169 HydrophobicContact CD-CG 4.33Å; K106-K169 VanDerWaalsContact CE-CE 3.49Å; K106-K169 HydrophobicContact CG-CD 4.36Å; K106-K169 HydrophobicContact CG-CG 3.65Å; K106-K169 PolarHBondContact N-O 3.27Å; K106-K169 PolarHBondContact O-N 3.27Å; K106-V171 HydrophobicContact CB-CG2 3.94Å; K106-V171 HydrophobicContact CD-CG2 4.17Å; K106-V171 HydrophobicContact CG-CG2 3.93Å
107A90.4Very high93.7Very high42 Ų4265 Ų6535%0.34733%0.326SS..EExtended strand (participates in β ladder)trans-56.6126.1168.800000109.9L99 T110L99-A107 HydrophobicContact CD1-CB 3.77Å; A107-T110 HydrophobicContact CB-CG2 3.69Å
108R93.3Very high94Very high193 Ų19371.7 Ų71.773%0.72835%0.352SS*.EExtended strand (participates in β ladder)trans-92.5-36.7163.5179.2177.7177.5153.70.3110.5K106 R167 K169K106-R108 PolarHBondContact O-N 3.39Å; R108-R167 WeakPolarHBondContact CA-O 3.27Å; R108-R167 PolarHBondContact N-O 3.33Å; R108-K169 HydrophobicContact CB-CD 4.3Å; R108-K169 HydrophobicContact CB-CG 4.22Å
109F94.8Very high94.1Very high118 Ų11875.8 Ų75.852%0.51837%0.37SS..EExtended strand (participates in β ladder)trans-149.2135.3177.8172.3-89.4000108.9A111 V165 R167F109-A111 HydrophobicContact CE1-CB 3.84Å; F109-A111 HydrophobicContact CZ-CB 3.79Å; F109-V165 HydrophobicContact CD1-CG1 4.2Å; F109-V165 HydrophobicContact CE1-CG1 4.14Å; F109-R167 HydrophobicContact CB-CB 4.12Å; F109-R167 HydrophobicContact CB-CG 4.46Å; F109-R167 HydrophobicContact CD1-CG 4.24Å; F109-R167 PolarHBondContact N-O 2.9Å; F109-R167 VanDerWaalsContact N-O 3.17Å; F109-R167 PolarHBondContact O-N 3.34Å
110T95.4Very high94.4Very high70 Ų7079.6 Ų79.643%0.42939%0.387SS..EExtended strand (participates in β ladder)trans-136.2139.9174.648.90000109.3A107 V165 L166A107-T110 HydrophobicContact CB-CG2 3.69Å; T110-V165 VanDerWaalsContact CA-O 3.25Å; T110-V165 WeakPolarHBondContact CA-O 3.48Å; T110-L166 HydrophobicContact CG2-CD2 4.31Å; T110-L166 HydrophobicContact CG2-CG 4.24Å
111A96.8Very high94.7Very high36 Ų3680.8 Ų80.830%0.29840%0.396SS..EExtended strand (participates in β ladder)trans-148.6134.9172.100000108.9F109 G164 V165F109-A111 HydrophobicContact CE1-CB 3.84Å; F109-A111 HydrophobicContact CZ-CB 3.79Å; A111-G164 CarbonylContact O-C 3.53Å; A111-G164 VanDerWaalsContact O-CA 3.24Å; A111-G164 WeakPolarHBondContact O-CA 3.23Å; A111-V165 PolarHBondContact N-O 3.31Å; A111-V165 PolarHBondContact O-N 3.38Å
112S97.6Very high94.9Very high55 Ų5583.5 Ų83.539%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-66.2138.6169.8-55.30000109.7Q162S112-Q162 VanDerWaalsContact OG-CD 3.28Å; S112-Q162 PolarHBondContact OG-OE1 3.21Å
113L98.1Very high95.2Very high96 Ų9679 Ų7950%0.50339%0.394SS..SBendtrans-95.9-41173.8-69.3176.1000110.5R142 E163 V165L113-R142 HydrophobicContact CD1-CG 4.38Å; L113-E163 WeakPolarHBondContact CB-O 3.35Å; L113-E163 HydrophobicContact CD1-CG 4.41Å; L113-E163 PolarHBondContact N-O 2.96Å; L113-V165 HydrophobicContact CD1-CG2 3.95Å; L113-V165 HydrophobicContact CD2-CG2 3.75Å; L113-V165 HydrophobicContact CG-CG2 3.94Å
114D98.4Very high95.7Very high83 Ų8379.2 Ų79.244%0.44439%0.39SS..  trans-145.2166176.969.9-27.1000110.4Q162 E163D114-Q162 VanDerWaalsContact O-CG 3.29Å; D114-Q162 WeakPolarHBondContact O-CG 3.41Å; D114-Q162 PolarHBondContact O-OE1 3.03Å; D114-E163 PolarHBondContact N-O 3.05Å; D114-E163 WeakPolarHBondContact OD1-CA 3.27Å; D114-E163 WeakPolarHBondContact OD1-CB 3.42Å; D114-E163 PolarHBondContact OD1-N 3.41Å
115H98.6Very high96.1Very high73 Ų7373.3 Ų73.334%0.33837%0.365SS..  trans-153123.2168.5-169.475.7000108.6S90 Q162S90-H115 PolarHBondContact OG-CE1 3.07Å; S90-H115 PolarHBondContact OG-NE2 3.18Å; H115-Q162 PolarHBondContact ND1-OE1 3.28Å
116A98.6Very high96.5Very high32 Ų3268.9 Ų68.926%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-121.7139.6178.600000109.8W118 C160 S161A116-W118 HydrophobicContact CB-CH2 3.45Å; A116-W118 VanDerWaalsContact CB-CH2 3.45Å; A116-W118 HydrophobicContact CB-CZ2 3.96Å; A116-W118 HydrophobicContact CB-CZ3 3.87Å; A116-C160 CarbonylContact O-C 3.53Å; A116-C160 WeakPolarHBondContact O-CA 3.4Å; A116-C160 WeakPolarHBondContact O-CB 3.28Å; A116-S161 PolarHBondContact N-O 3.06Å; A116-S161 PolarHBondContact O-N 3.31Å
117M98.5Very high96.9Very high36 Ų3670.1 Ų70.118%0.17736%0.355CS..EExtended strand (participates in β ladder)trans-140.6138.9-178.9-169.3170.1-16700110.7A86 A87 F119 L149 A158 S159 C160A86-M117 HydrophobicContact CB-CE 4Å; A87-M117 HydrophobicContact CB-SD 4.14Å; M117-F119 HydrophobicContact CE-CD1 4.44Å; M117-F119 HydrophobicContact CE-CE1 3.72Å; M117-F119 HydrophobicContact CE-CZ 4.23Å; M117-F119 HydrophobicContact CG-CE1 4.29Å; M117-F119 HydrophobicContact CG-CE2 4.45Å; M117-F119 HydrophobicContact CG-CZ 4.08Å; M117-F119 HydrophobicContact SD-CE1 3.88Å; M117-F119 HydrophobicContact SD-CZ 3.74Å; M117-L149 HydrophobicContact CE-CD1 3.61Å; M117-A158 HydrophobicContact CE-CB 3.63Å; M117-S159 CarbonylContact C-O 3.46Å; M117-S159 WeakPolarHBondContact CA-O 3.41Å; M117-C160 HydrophobicContact CB-CB 4.13Å; M117-C160 HydrophobicContact CG-CB 4.09Å
118W98.8Very high97.3Very high142 Ų14269.2 Ų69.254%0.53834%0.343SS..EExtended strand (participates in β ladder)trans-125.7129178.4-59.8-92.5000109.1A116 A158 S159A116-W118 HydrophobicContact CB-CH2 3.45Å; A116-W118 VanDerWaalsContact CB-CH2 3.45Å; A116-W118 HydrophobicContact CB-CZ2 3.96Å; A116-W118 HydrophobicContact CB-CZ3 3.87Å; W118-A158 CarbonylContact O-C 3.6Å; W118-A158 WeakPolarHBondContact O-CA 3.41Å; W118-A158 WeakPolarHBondContact O-CB 3.18Å; W118-S159 PolarHBondContact N-O 3.06Å; W118-S159 PolarHBondContact O-N 3.11Å
119F98.4Very high97.5Very high89 Ų8960.4 Ų60.439%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-100.6124.4178.2-56.1-81.4000109.2C83 A86 M117 F123 A158C83-F119 HydrophobicContact CB-CD1 4.31Å; C83-F119 HydrophobicContact CB-CE1 3.79Å; C83-F119 HydrophobicContact CB-CE2 4.2Å; C83-F119 HydrophobicContact CB-CZ 3.73Å; A86-F119 HydrophobicContact CB-CE1 4.29Å; M117-F119 HydrophobicContact CE-CD1 4.44Å; M117-F119 HydrophobicContact CE-CE1 3.72Å; M117-F119 HydrophobicContact CE-CZ 4.23Å; M117-F119 HydrophobicContact CG-CE1 4.29Å; M117-F119 HydrophobicContact CG-CE2 4.45Å; M117-F119 HydrophobicContact CG-CZ 4.08Å; M117-F119 HydrophobicContact SD-CE1 3.88Å; M117-F119 HydrophobicContact SD-CZ 3.74Å; F119-F123 AromaticContact CD1-CE1 3.73Å; F119-F123 HydrophobicContact CD1-CE1 3.73Å; F119-F123 AromaticContact CD1-CZ 3.75Å; F119-F123 HydrophobicContact CD1-CZ 3.75Å; F119-F123 HydrophobicContact CE1-CE1 4.41Å; F119-F123 AromaticContact CE1-CZ 3.96Å; F119-F123 HydrophobicContact CE1-CZ 3.96Å; F119-A158 HydrophobicContact CD1-CB 3.96Å; F119-A158 HydrophobicContact CE1-CB 4.46Å
120H98.2Very high97.7Very high102 Ų10254.8 Ų54.847%0.47229%0.286SS..  trans-109.8-27.9-169.7-51.8-59.8000113.2A157 S159H120-A157 PolarHBondContact N-O 3.38Å; H120-S159 WeakPolarHBondContact NE2-CB 3.39Å; H120-S159 PolarHBondContact NE2-N 2.97Å; H120-S159 PolarHBondContact NE2-OG 3.29Å
121S96.7Very high97.8Very high34 Ų3451.5 Ų51.524%0.23827%0.265CS..SBendtrans-141.4170.1177.681.70000111.1F123 A157S121-F123 VanDerWaalsContact O-CD1 3.26Å; S121-F123 WeakPolarHBondContact O-CD1 3.42Å; S121-A157 PolarHBondContact N-O 2.87Å; S121-A157 WeakPolarHBondContact OG-CA 3.37Å
122T96.1Very high97.9Very high98 Ų9850.4 Ų50.460%0.60125%0.254SS*.  trans-68.9149163.353.20000109.9M79 R151M79-T122 HydrophobicContact CE-CG2 3.83Å; T122-R151 WeakPolarHBondContact O-CD 3.26Å
123F97.3Very high97.8Very high8 Ų847.8 Ų47.84%0.03524%0.236CC..  trans-159.9173.1177.258.3-86.9000110M79 H82 A86 F119 S121 S125 M129 R151 A157M79-F123 VanDerWaalsContact CE-O 3.25Å; M79-F123 WeakPolarHBondContact CE-O 3.45Å; H82-F123 HydrophobicContact CB-CD2 4.48Å; H82-F123 HydrophobicContact CB-CE2 4.1Å; A86-F123 HydrophobicContact CB-CE2 3.58Å; A86-F123 HydrophobicContact CB-CZ 3.8Å; F119-F123 AromaticContact CD1-CE1 3.73Å; F119-F123 HydrophobicContact CD1-CE1 3.73Å; F119-F123 AromaticContact CD1-CZ 3.75Å; F119-F123 HydrophobicContact CD1-CZ 3.75Å; F119-F123 HydrophobicContact CE1-CE1 4.41Å; F119-F123 AromaticContact CE1-CZ 3.96Å; F119-F123 HydrophobicContact CE1-CZ 3.96Å; S121-F123 VanDerWaalsContact O-CD1 3.26Å; S121-F123 WeakPolarHBondContact O-CD1 3.42Å; F123-S125 WeakPolarHBondContact CE2-OG 3.25Å; F123-M129 HydrophobicContact CB-CE 3.96Å; F123-M129 HydrophobicContact CB-SD 4.33Å; F123-M129 HydrophobicContact CD2-CE 3.9Å; F123-M129 HydrophobicContact CD2-SD 3.65Å; F123-M129 HydrophobicContact CE2-SD 4.39Å; F123-M129 HydrophobicContact CG-CE 3.94Å; F123-M129 HydrophobicContact CG-SD 4.23Å; F123-R151 HydrophobicContact CB-CG 3.97Å; F123-A157 HydrophobicContact CB-CB 3.77Å; F123-A157 HydrophobicContact CD1-CB 3.62Å; F123-A157 HydrophobicContact CE1-CB 4.45Å; F123-A157 HydrophobicContact CG-CB 3.82Å
124R97.4Very high97.8Very high47 Ų4744.7 Ų44.718%0.17722%0.219CC..  trans-124.7114.4176.2-78-172.663178.39.4109.7H73 E76 D126 E127H73-R124 PolarHBondContact CE1-NH2 2.75Å; E76-R124 IonicContact OE1-NH1 3.07Å; R124-D126 WeakPolarHBondContact CB-OD1 3.48Å; R124-D126 IonicContact CZ-OD1 2.83Å; R124-D126 IonicContact CZ-OD2 2.64Å; R124-D126 IonicContact NE-OD1 2.98Å; R124-D126 PolarHBondContact NE-OD1 3.08Å; R124-D126 IonicContact NE-OD2 3.51Å; R124-D126 IonicContact NH2-OD1 3.35Å; R124-D126 PolarHBondContact NH2-OD1 2.8Å; R124-D126 IonicContact NH2-OD2 3.89Å; R124-D126 PolarHBondContact NH2-OD2 2.83Å; R124-D126 PolarHBondContact O-N 2.84Å; R124-E127 HydrophobicContact CB-CB 4.01Å; R124-E127 HydrophobicContact CB-CG 3.77Å; R124-E127 VanDerWaalsContact CD-OE1 3.27Å; R124-E127 WeakPolarHBondContact CD-OE1 3.49Å; R124-E127 IonicContact CZ-OE1 3.22Å; R124-E127 IonicContact NE-OE1 2.75Å; R124-E127 PolarHBondContact NE-OE1 3.44Å; R124-E127 IonicContact NH1-OE1 3.38Å; R124-E127 PolarHBondContact NH1-OE1 3.35Å; R124-E127 PolarHBondContact O-N 2.78Å; R124-E127 VanDerWaalsContact O-N 3.13Å
125S97.5Very high97.7Very high6 Ų641.1 Ų41.14%0.04220%0.201CC..THydrogen-bonded Turntrans-74.2-13.1177.1-62.10000112.8R69 A70 H82 V85 F123 E127R69-S125 CarbonylContact C-O 3.56Å; R69-S125 WeakPolarHBondContact CA-O 3.24Å; A70-S125 PolarHBondContact N-O 3.32Å; H82-S125 PolarHBondContact ND1-N 3.17Å; H82-S125 PolarHBondContact O-OG 2.76Å; V85-S125 VanDerWaalsContact CG1-CB 3.49Å; F123-S125 WeakPolarHBondContact CE2-OG 3.25Å; S125-E127 VanDerWaalsContact C-N 3.31Å
126D97.3Very high97.7Very high15 Ų1541.3 Ų41.38%0.0821%0.209CC..THydrogen-bonded Turntrans-87.10.6168.564.7-14.9000113H73 I74 G75 H82 R124H73-D126 IonicContact ND1-OD2 2.75Å; H73-D126 PolarHBondContact ND1-OD2 3.35Å; I74-D126 HydrophobicContact CB-CB 4.25Å; I74-D126 HydrophobicContact CD1-CB 4.07Å; I74-D126 HydrophobicContact CG1-CB 4.08Å; I74-D126 PolarHBondContact N-OD2 3.1Å; G75-D126 PolarHBondContact N-OD2 2.82Å; H82-D126 IonicContact CE1-OD1 3.9Å; H82-D126 PolarHBondContact CE1-OD1 2.86Å; H82-D126 VanDerWaalsContact CE1-OD1 3.27Å; R124-D126 WeakPolarHBondContact CB-OD1 3.48Å; R124-D126 IonicContact CZ-OD1 2.83Å; R124-D126 IonicContact CZ-OD2 2.64Å; R124-D126 IonicContact NE-OD1 2.98Å; R124-D126 PolarHBondContact NE-OD1 3.08Å; R124-D126 IonicContact NE-OD2 3.51Å; R124-D126 IonicContact NH2-OD1 3.35Å; R124-D126 PolarHBondContact NH2-OD1 2.8Å; R124-D126 IonicContact NH2-OD2 3.89Å; R124-D126 PolarHBondContact NH2-OD2 2.83Å; R124-D126 PolarHBondContact O-N 2.84Å
127E97.1Very high97.6Very high97 Ų9745 Ų4545%0.45322%0.216SC..SBendtrans-105.5160.3168.4-66.8-179.6-178.200110.6R69 R124 S125 M129R69-E127 VanDerWaalsContact CB-O 3.27Å; R69-E127 WeakPolarHBondContact CB-O 3.4Å; R124-E127 HydrophobicContact CB-CB 4.01Å; R124-E127 HydrophobicContact CB-CG 3.77Å; R124-E127 VanDerWaalsContact CD-OE1 3.27Å; R124-E127 WeakPolarHBondContact CD-OE1 3.49Å; R124-E127 IonicContact CZ-OE1 3.22Å; R124-E127 IonicContact NE-OE1 2.75Å; R124-E127 PolarHBondContact NE-OE1 3.44Å; R124-E127 IonicContact NH1-OE1 3.38Å; R124-E127 PolarHBondContact NH1-OE1 3.35Å; R124-E127 PolarHBondContact O-N 2.78Å; R124-E127 VanDerWaalsContact O-N 3.13Å; S125-E127 VanDerWaalsContact C-N 3.31Å; E127-M129 PolarHBondContact O-N 2.91Å
128W97.9Very high97.5Very high23 Ų2344.8 Ų44.89%0.08722%0.22CC..  trans-63.8119.5177.8-74.4121.5000111.6P7 E45 K47 W67 R69P7-W128 HydrophobicContact CB-CD2 3.74Å; P7-W128 HydrophobicContact CB-CE3 4.23Å; P7-W128 HydrophobicContact CB-CG 3.9Å; P7-W128 HydrophobicContact CB-CZ2 4.3Å; P7-W128 HydrophobicContact CG-CB 3.91Å; P7-W128 HydrophobicContact CG-CD2 3.97Å; P7-W128 HydrophobicContact CG-CG 3.55Å; E45-W128 HydrophobicContact CB-CH2 4.03Å; E45-W128 HydrophobicContact CB-CZ3 4.48Å; E45-W128 HydrophobicContact CG-CH2 3.65Å; E45-W128 HydrophobicContact CG-CZ2 4.34Å; E45-W128 HydrophobicContact CG-CZ3 4.5Å; E45-W128 WeakPolarHBondContact OE1-CH2 3.1Å; E45-W128 WeakPolarHBondContact OE1-CZ2 3.44Å; K47-W128 HydrophobicContact CB-CH2 4.48Å; K47-W128 HydrophobicContact CD-CH2 3.92Å; K47-W128 HydrophobicContact CD-CZ2 4.05Å; K47-W128 HydrophobicContact CG-CH2 3.77Å; K47-W128 HydrophobicContact CG-CZ2 4.4Å; K47-W128 HydrophobicContact CG-CZ3 4.33Å; W67-W128 HydrophobicContact CB-CE3 3.74Å; W67-W128 HydrophobicContact CB-CZ3 4.02Å; W67-W128 HydrophobicContact CE3-CB 3.86Å; W67-W128 HydrophobicContact CZ3-CB 4.25Å; R69-W128 HydrophobicContact CB-CD2 4.38Å; R69-W128 HydrophobicContact CB-CE3 4.02Å; R69-W128 HydrophobicContact CB-CZ3 4.41Å; R69-W128 HydrophobicContact CG-CD2 4Å; R69-W128 HydrophobicContact CG-CE3 3.77Å; R69-W128 HydrophobicContact CG-CH2 4.07Å; R69-W128 HydrophobicContact CG-CZ2 4.26Å; R69-W128 HydrophobicContact CG-CZ3 3.82Å
129M98.1Very high97.3Very high9 Ų939.2 Ų39.24%0.04421%0.206CC..EExtended strand (participates in β ladder)trans-115.8134.8171.4-61.9-1717300109.9W67 A68 F123 E127 Y131 L149 W150 A157W67-M129 CarbonylContact C-O 3.5Å; W67-M129 WeakPolarHBondContact CA-O 3.36Å; A68-M129 PolarHBondContact N-O 2.79Å; A68-M129 PolarHBondContact O-N 3.27Å; F123-M129 HydrophobicContact CB-CE 3.96Å; F123-M129 HydrophobicContact CB-SD 4.33Å; F123-M129 HydrophobicContact CD2-CE 3.9Å; F123-M129 HydrophobicContact CD2-SD 3.65Å; F123-M129 HydrophobicContact CE2-SD 4.39Å; F123-M129 HydrophobicContact CG-CE 3.94Å; F123-M129 HydrophobicContact CG-SD 4.23Å; E127-M129 PolarHBondContact O-N 2.91Å; M129-Y131 PolarHBondContact O-N 2.88Å; M129-L149 HydrophobicContact CE-CB 3.84Å; M129-W150 CarbonylContact C-O 3.55Å; M129-W150 VanDerWaalsContact CA-O 3.26Å; M129-W150 WeakPolarHBondContact CA-O 3.22Å; M129-A157 HydrophobicContact CE-CB 3.49Å; M129-A157 VanDerWaalsContact CE-CB 3.49Å
130L98.4Very high97.2Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-82.4116.7173.1176.268000108.2M1 V4 V49 L65 W67 W150M1-L130 HydrophobicContact CG-CD2 3.64Å; M1-L130 HydrophobicContact SD-CB 4.26Å; M1-L130 HydrophobicContact SD-CD2 3.98Å; V4-L130 HydrophobicContact CG2-CD1 3.96Å; V4-L130 HydrophobicContact CG2-CD2 3.73Å; V4-L130 HydrophobicContact CG2-CG 4.47Å; V49-L130 HydrophobicContact CG2-CD1 4.19Å; L65-L130 HydrophobicContact CB-CD1 4.45Å; W67-L130 HydrophobicContact CD2-CB 4.09Å; W67-L130 HydrophobicContact CD2-CD1 4.25Å; W67-L130 HydrophobicContact CE3-CB 3.89Å; W67-L130 VanDerWaalsContact CE3-N 3.34Å; W67-L130 HydrophobicContact CG-CD1 4.41Å; W67-L130 HydrophobicContact CH2-CB 3.88Å; W67-L130 HydrophobicContact CZ2-CB 4.08Å; W67-L130 HydrophobicContact CZ3-CB 3.78Å; L130-W150 HydrophobicContact CB-CB 4.22Å; L130-W150 PolarHBondContact N-O 3.09Å; L130-W150 PolarHBondContact O-N 3.43Å
131Y98.2Very high97Very high0 Ų037.6 Ų37.60%022%0.218CC..EExtended strand (participates in β ladder)trans-94.3115.8171.2-162.2-174.7000110L65 F66 V89 S90 M129 R148 L149 C160L65-Y131 WeakPolarHBondContact CA-O 3.4Å; F66-Y131 AromaticContact CE1-CD1 3.95Å; F66-Y131 HydrophobicContact CE1-CD1 3.95Å; F66-Y131 HydrophobicContact CE1-CG 4.28Å; F66-Y131 AromaticContact CE2-CD1 3.73Å; F66-Y131 HydrophobicContact CE2-CD1 3.73Å; F66-Y131 HydrophobicContact CE2-CG 4.28Å; F66-Y131 AromaticContact CZ-CD1 3.21Å; F66-Y131 HydrophobicContact CZ-CD1 3.21Å; F66-Y131 AromaticContact CZ-CE1 3.98Å; F66-Y131 HydrophobicContact CZ-CE1 3.98Å; F66-Y131 AromaticContact CZ-CG 3.88Å; F66-Y131 HydrophobicContact CZ-CG 3.88Å; F66-Y131 PolarHBondContact N-O 2.88Å; F66-Y131 VanDerWaalsContact N-O 3.08Å; F66-Y131 PolarHBondContact O-N 3.36Å; V89-Y131 HydrophobicContact CG1-CD1 4.4Å; S90-Y131 WeakPolarHBondContact O-CE1 2.94Å; S90-Y131 PolarHBondContact O-OH 3.27Å; M129-Y131 PolarHBondContact O-N 2.88Å; Y131-R148 WeakPolarHBondContact CD2-O 3.31Å; Y131-L149 HydrophobicContact CD1-CD2 4.12Å; Y131-L149 HydrophobicContact CD2-CD2 3.68Å; Y131-L149 HydrophobicContact CD2-CG 3.93Å; Y131-L149 HydrophobicContact CE2-CD2 4.37Å; Y131-L149 HydrophobicContact CE2-CG 4.24Å; Y131-L149 HydrophobicContact CG-CD2 3.55Å; Y131-L149 HydrophobicContact CG-CG 4.3Å; Y131-C160 PolarHBondContact OH-SG 2.96Å
132E97.8Very high97.1Very high14 Ų1440.5 Ų40.57%0.06522%0.223CC..EExtended strand (participates in β ladder)trans-100.9119.1171.1167.8175-13500110.2P2 R63 L65 G147 R148 W150P2-E132 HydrophobicContact CG-CG 4.5Å; P2-E132 VanDerWaalsContact CG-OE1 3.29Å; P2-E132 WeakPolarHBondContact CG-OE1 3.37Å; R63-E132 IonicContact CZ-OE1 3.23Å; R63-E132 VanDerWaalsContact CZ-OE1 3.3Å; R63-E132 IonicContact NE-OE1 2.75Å; R63-E132 PolarHBondContact NE-OE1 2.98Å; R63-E132 IonicContact NH2-OE1 3.7Å; R63-E132 PolarHBondContact NH2-OE1 3.34Å; L65-E132 HydrophobicContact CD2-CB 3.48Å; L65-E132 VanDerWaalsContact CD2-CB 3.48Å; L65-E132 HydrophobicContact CD2-CG 3.57Å; E132-G147 CarbonylContact O-C 3.39Å; E132-G147 VanDerWaalsContact O-CA 3.29Å; E132-G147 WeakPolarHBondContact O-CA 3.33Å; E132-R148 HydrophobicContact CB-CB 4.33Å; E132-R148 PolarHBondContact N-O 2.8Å; E132-R148 PolarHBondContact O-N 3.46Å; E132-R148 IonicContact OE2-NH1 3.46Å; E132-W150 PolarHBondContact OE2-NE1 3.07Å
133C97.4Very high97.1Very high0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-112140.3172.3-54.20000109.9R63 R64 L94 T97 Q146R63-C133 CarbonylContact C-O 3.55Å; R63-C133 VanDerWaalsContact CA-O 3.25Å; R63-C133 WeakPolarHBondContact CA-O 3.3Å; R64-C133 HydrophobicContact CB-CB 4.4Å; R64-C133 PolarHBondContact N-O 3.37Å; R64-C133 PolarHBondContact O-N 2.89Å; L94-C133 HydrophobicContact CD1-CB 4.07Å; T97-C133 HydrophobicContact CG2-CB 4.2Å; T97-C133 WeakPolarHBondContact OG1-CB 3.32Å; C133-Q146 CarbonylContact C-O 3.51Å; C133-Q146 VanDerWaalsContact CA-O 3.28Å; C133-Q146 WeakPolarHBondContact CA-O 3.44Å
134D96.6Very high97.2Very high30 Ų3037.8 Ų37.816%0.1621%0.206CC..EExtended strand (participates in β ladder)trans-140.1162.8168.372.5-90.6000111.8P62 R63 A145 Q146 R148P62-D134 CarbonylContact O-C 3.55Å; P62-D134 WeakPolarHBondContact O-CA 3.49Å; R63-D134 HydrophobicContact CB-CB 4.48Å; R63-D134 HydrophobicContact CG-CB 4.38Å; D134-A145 CarbonylContact O-C 3.53Å; D134-A145 WeakPolarHBondContact O-CA 3.31Å; D134-Q146 PolarHBondContact N-O 3.11Å; D134-Q146 PolarHBondContact O-N 3.21Å; D134-R148 IonicContact OD1-CZ 3.25Å; D134-R148 IonicContact OD1-NH1 2.86Å; D134-R148 PolarHBondContact OD1-NH1 3.25Å; D134-R148 IonicContact OD1-NH2 3.99Å
135S97.6Very high97.3Very high8 Ų835.6 Ų35.66%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-131.2110.2175.1174.50000110.1P62 W137 L144P62-S135 WeakPolarHBondContact CB-O 3.49Å; P62-S135 VanDerWaalsContact CG-O 3.31Å; P62-S135 WeakPolarHBondContact CG-O 3.36Å; P62-S135 PolarHBondContact O-N 3.47Å; S135-W137 VanDerWaalsContact C-N 3.34Å; S135-W137 PolarHBondContact OG-O 3.45Å; S135-L144 WeakPolarHBondContact CA-O 3.5Å; S135-L144 VanDerWaalsContact CB-O 3.24Å; S135-L144 WeakPolarHBondContact CB-O 3.38Å; S135-L144 PolarHBondContact OG-O 2.87Å
136P97.1Very high97.3Very high78 Ų7838.4 Ų38.451%0.50621%0.21SC..EExtended strand (participates in β ladder)trans-79.8-16.2178.630.9-36.2000113L144P136-L144 WeakPolarHBondContact CD-O 3.27Å; P136-L144 HydrophobicContact CG-CD2 3.97Å; P136-L144 HydrophobicContact CG-CG 4.23Å
137W97.7Very high97.4Very high109 Ų10937.8 Ų37.841%0.41321%0.207SC..EExtended strand (participates in β ladder)trans-153.8139.9-174.6-175.486.3000113.7S135 G139 R142 G143 L144S135-W137 VanDerWaalsContact C-N 3.34Å; S135-W137 PolarHBondContact OG-O 3.45Å; W137-G139 WeakPolarHBondContact CH2-O 3.48Å; W137-R142 HydrophobicContact CH2-CB 4.37Å; W137-R142 HydrophobicContact CZ3-CB 3.92Å; W137-G143 WeakPolarHBondContact O-CA 3.42Å; W137-L144 PolarHBondContact O-N 3.44Å
138A96.5Very high97.4Very high31 Ų3136.5 Ų36.526%0.25620%0.198SC..EExtended strand (participates in β ladder)trans-143.8132.116900000109.6V98 Y102 R142V98-A138 HydrophobicContact CG1-CB 3.59Å; Y102-A138 HydrophobicContact CE2-CB 4.04Å; A138-R142 WeakPolarHBondContact CA-O 3.42Å
139G95Very high97.5Very high25 Ų2535.6 Ų35.626%0.25820%0.195SC..EExtended strand (participates in β ladder)trans178.1162.8-177.800000112.3W137 S141 R142W137-G139 WeakPolarHBondContact CH2-O 3.48Å; G139-S141 PolarHBondContact O-N 3.01Å; G139-R142 PolarHBondContact N-O 3.24Å; G139-R142 CarbonylContact O-C 3.57Å; G139-R142 WeakPolarHBondContact O-CA 3.12Å; G139-R142 PolarHBondContact O-N 2.94Å; G139-R142 VanDerWaalsContact O-O 3.06Å
140S95.2Very high97.5Very high99 Ų9936.9 Ų36.969%0.69220%0.199SC*.THydrogen-bonded Turntrans49.637.5176.2-59.60000114R142S140-R142 PolarHBondContact O-N 3.39Å
141S94.8Very high97.5Very high58 Ų5840.6 Ų40.641%0.40621%0.213SC..THydrogen-bonded Turntrans58.629-175.1-53.30000115.3G139 V165 L166G139-S141 PolarHBondContact O-N 3.01Å; S141-V165 WeakPolarHBondContact O-CA 3.37Å; S141-L166 CarbonylContact C-O 3.59Å; S141-L166 WeakPolarHBondContact CA-O 3.37Å; S141-L166 WeakPolarHBondContact CB-O 3.39Å; S141-L166 PolarHBondContact O-N 3.45Å
142R97.6Very high97.3Very high95 Ų9545.9 Ų45.936%0.35823%0.233SC..EExtended strand (participates in β ladder)trans-130.5167.4171-62.1-168.9-52.4-83.10.1110.6L113 W137 A138 G139 S140 E163 G164L113-R142 HydrophobicContact CD1-CG 4.38Å; W137-R142 HydrophobicContact CH2-CB 4.37Å; W137-R142 HydrophobicContact CZ3-CB 3.92Å; A138-R142 WeakPolarHBondContact CA-O 3.42Å; G139-R142 PolarHBondContact N-O 3.24Å; G139-R142 CarbonylContact O-C 3.57Å; G139-R142 WeakPolarHBondContact O-CA 3.12Å; G139-R142 PolarHBondContact O-N 2.94Å; G139-R142 VanDerWaalsContact O-O 3.06Å; S140-R142 PolarHBondContact O-N 3.39Å; R142-E163 HydrophobicContact CB-CG 4.36Å; R142-E163 WeakPolarHBondContact CD-OE1 3.41Å; R142-E163 IonicContact CZ-OE1 3.56Å; R142-E163 IonicContact NE-OE1 2.73Å; R142-E163 PolarHBondContact NE-OE1 3.39Å; R142-E163 IonicContact NE-OE2 3.59Å; R142-G164 CarbonylContact C-O 3.52Å; R142-G164 WeakPolarHBondContact CA-O 3.5Å
143G97.9Very high97.2Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-155.4142.7170.500000111.3W137 E163 G164 L166W137-G143 WeakPolarHBondContact O-CA 3.42Å; G143-E163 WeakPolarHBondContact O-CA 3.42Å; G143-G164 PolarHBondContact N-O 3.32Å; G143-G164 PolarHBondContact O-N 3.09Å; G143-L166 VanDerWaalsContact N-CD1 3.31Å
144L98.6Very high97.2Very high50 Ų5051 Ų5126%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-97.3128.8175.5179.561.7000108.6S135 P136 W137S135-L144 WeakPolarHBondContact CA-O 3.5Å; S135-L144 VanDerWaalsContact CB-O 3.24Å; S135-L144 WeakPolarHBondContact CB-O 3.38Å; S135-L144 PolarHBondContact OG-O 2.87Å; P136-L144 WeakPolarHBondContact CD-O 3.27Å; P136-L144 HydrophobicContact CG-CD2 3.97Å; P136-L144 HydrophobicContact CG-CG 4.23Å; W137-L144 PolarHBondContact O-N 3.44Å
145A98.4Very high97.3Very high0 Ų052.2 Ų52.20%028%0.275CS..EExtended strand (participates in β ladder)trans-123.3140.8174.800000109.9L94 V98 D134 S161 Q162L94-A145 HydrophobicContact CD1-CB 3.73Å; L94-A145 HydrophobicContact CG-CB 3.73Å; V98-A145 HydrophobicContact CG2-CB 4.15Å; D134-A145 CarbonylContact O-C 3.53Å; D134-A145 WeakPolarHBondContact O-CA 3.31Å; A145-S161 WeakPolarHBondContact O-CA 2.87Å; A145-Q162 PolarHBondContact N-O 2.9Å; A145-Q162 PolarHBondContact O-N 3.07Å
146Q98.6Very high97.3Very high65 Ų6554.3 Ų54.330%0.30429%0.285SS..EExtended strand (participates in β ladder)trans-120.8144.9178.1-63.9-173.2-34.400109.5L94 C133 D134 C160L94-Q146 WeakPolarHBondContact CD1-O 3.21Å; C133-Q146 CarbonylContact C-O 3.51Å; C133-Q146 VanDerWaalsContact CA-O 3.28Å; C133-Q146 WeakPolarHBondContact CA-O 3.44Å; D134-Q146 PolarHBondContact N-O 3.11Å; D134-Q146 PolarHBondContact O-N 3.21Å; Q146-C160 WeakPolarHBondContact CA-O 3.44Å
147G98.4Very high97.4Very high2 Ų250.6 Ų50.62%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-132.9142.9-17700000112.5E132 S159 C160E132-G147 CarbonylContact O-C 3.39Å; E132-G147 VanDerWaalsContact O-CA 3.29Å; E132-G147 WeakPolarHBondContact O-CA 3.33Å; G147-S159 CarbonylContact O-C 3.48Å; G147-S159 VanDerWaalsContact O-CA 3.25Å; G147-S159 WeakPolarHBondContact O-CA 3.08Å; G147-C160 VanDerWaalsContact CA-SG 3.56Å; G147-C160 PolarHBondContact N-O 3.29Å; G147-C160 PolarHBondContact O-N 2.96Å
148R98.7Very high97.5Very high70 Ų7045.4 Ų45.426%0.26424%0.241SC..EExtended strand (participates in β ladder)trans-135.1119176.1-63.7179.3-162.979.58.6109.4Y131 E132 D134 W150 L156Y131-R148 WeakPolarHBondContact CD2-O 3.31Å; E132-R148 HydrophobicContact CB-CB 4.33Å; E132-R148 PolarHBondContact N-O 2.8Å; E132-R148 PolarHBondContact O-N 3.46Å; E132-R148 IonicContact OE2-NH1 3.46Å; D134-R148 IonicContact OD1-CZ 3.25Å; D134-R148 IonicContact OD1-NH1 2.86Å; D134-R148 PolarHBondContact OD1-NH1 3.25Å; D134-R148 IonicContact OD1-NH2 3.99Å; R148-W150 HydrophobicContact CB-CZ2 4.29Å; R148-L156 HydrophobicContact CB-CD1 3.76Å; R148-L156 HydrophobicContact CG-CD1 4.25Å
149L98.5Very high97.6Very high4 Ų445.1 Ų45.12%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-97.5115.4175.8-77170.2000109.2A86 M117 M129 Y131 A157 A158A86-L149 HydrophobicContact CB-CD1 4.07Å; M117-L149 HydrophobicContact CE-CD1 3.61Å; M129-L149 HydrophobicContact CE-CB 3.84Å; Y131-L149 HydrophobicContact CD1-CD2 4.12Å; Y131-L149 HydrophobicContact CD2-CD2 3.68Å; Y131-L149 HydrophobicContact CD2-CG 3.93Å; Y131-L149 HydrophobicContact CE2-CD2 4.37Å; Y131-L149 HydrophobicContact CE2-CG 4.24Å; Y131-L149 HydrophobicContact CG-CD2 3.55Å; Y131-L149 HydrophobicContact CG-CG 4.3Å; L149-A157 PolarHBondContact O-N 3.36Å; L149-A158 HydrophobicContact CB-CB 4.29Å; L149-A158 HydrophobicContact CD1-CB 4.36Å; L149-A158 PolarHBondContact N-O 3.26Å; L149-A158 PolarHBondContact O-N 3.24Å
150W98.7Very high97.7Very high37 Ų3744.2 Ų44.214%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-105.5134.5-178.9-54.791.5000110.2M1 M129 L130 E132 R148 G154 L156M1-W150 HydrophobicContact CB-CB 4.23Å; M1-W150 HydrophobicContact CB-CD2 3.74Å; M1-W150 HydrophobicContact CB-CE3 3.64Å; M1-W150 HydrophobicContact CB-CG 4.02Å; M1-W150 HydrophobicContact CB-CZ3 4.24Å; M1-W150 HydrophobicContact CG-CB 3.71Å; M1-W150 HydrophobicContact CG-CD2 3.98Å; M1-W150 HydrophobicContact CG-CE3 4.34Å; M1-W150 HydrophobicContact CG-CG 3.7Å; M1-W150 HydrophobicContact SD-CB 3.67Å; M1-W150 HydrophobicContact SD-CG 4.33Å; M129-W150 CarbonylContact C-O 3.55Å; M129-W150 VanDerWaalsContact CA-O 3.26Å; M129-W150 WeakPolarHBondContact CA-O 3.22Å; L130-W150 HydrophobicContact CB-CB 4.22Å; L130-W150 PolarHBondContact N-O 3.09Å; L130-W150 PolarHBondContact O-N 3.43Å; E132-W150 PolarHBondContact OE2-NE1 3.07Å; R148-W150 HydrophobicContact CB-CZ2 4.29Å; W150-G154 VanDerWaalsContact CE3-O 3.32Å; W150-L156 HydrophobicContact CD2-CD1 3.9Å; W150-L156 HydrophobicContact CE3-CB 3.8Å; W150-L156 HydrophobicContact CE3-CD1 3.99Å; W150-L156 HydrophobicContact CH2-CB 4.18Å; W150-L156 HydrophobicContact CH2-CD1 4.1Å; W150-L156 HydrophobicContact CZ2-CD1 4.02Å; W150-L156 HydrophobicContact CZ3-CB 3.59Å; W150-L156 HydrophobicContact CZ3-CD1 4.1Å; W150-L156 HydrophobicContact CZ3-CG 4.33Å
151R97.7Very high97.9Very high77 Ų7740.7 Ų40.729%0.29120%0.203SC..EExtended strand (participates in β ladder)trans-67.1158.8164.9-72.8167.562.2-144-8.9109.7T122 F123 D153 G154 V155 A157T122-R151 WeakPolarHBondContact O-CD 3.26Å; F123-R151 HydrophobicContact CB-CG 3.97Å; R151-D153 WeakPolarHBondContact CB-OD1 3.49Å; R151-D153 IonicContact CZ-OD1 3.53Å; R151-D153 IonicContact CZ-OD2 3.82Å; R151-D153 IonicContact NE-OD1 2.68Å; R151-D153 IonicContact NE-OD2 3.88Å; R151-D153 IonicContact NH1-OD1 3.85Å; R151-D153 IonicContact NH1-OD2 3.3Å; R151-D153 PolarHBondContact NH1-OD2 3.31Å; R151-D153 IonicContact NH2-OD1 3.39Å; R151-D153 IonicContact NH2-OD2 2.89Å; R151-D153 PolarHBondContact NH2-OD2 2.96Å; R151-D153 PolarHBondContact O-N 3.35Å; R151-G154 PolarHBondContact O-N 3.33Å; R151-V155 HydrophobicContact CB-CB 4.44Å; R151-V155 PolarHBondContact N-O 3.28Å; R151-A157 HydrophobicContact CG-CB 4.08Å
152R95.2Very high98.1Very high112 Ų11238 Ų3842%0.42318%0.184SC..THydrogen-bonded Turntrans-59.4-29.4178.7-167.1174.2-175.3160.17.9113.7E8 W67 G154E8-R152 VanDerWaalsContact CD-NH2 3.27Å; E8-R152 IonicContact OE1-CZ 3.64Å; E8-R152 IonicContact OE1-NH1 3.3Å; E8-R152 PolarHBondContact OE1-NH1 3.39Å; E8-R152 IonicContact OE1-NH2 3.73Å; E8-R152 PolarHBondContact OE1-NH2 3.18Å; E8-R152 IonicContact OE2-CZ 3.73Å; E8-R152 IonicContact OE2-NH1 2.84Å; E8-R152 IonicContact OE2-NH2 3.86Å; E8-R152 PolarHBondContact OE2-NH2 2.81Å; W67-R152 HydrophobicContact CH2-CG 4.28Å; W67-R152 HydrophobicContact CZ3-CB 4.43Å; W67-R152 HydrophobicContact CZ3-CG 4.45Å; R152-G154 PolarHBondContact O-N 3.11Å
153D95.8Very high98.1Very high97 Ų9736 Ų3652%0.51918%0.178SC..THydrogen-bonded Turntrans-78.32.1175.169.7-11.6000113.8R151 V155R151-D153 WeakPolarHBondContact CB-OD1 3.49Å; R151-D153 IonicContact CZ-OD1 3.53Å; R151-D153 IonicContact CZ-OD2 3.82Å; R151-D153 IonicContact NE-OD1 2.68Å; R151-D153 IonicContact NE-OD2 3.88Å; R151-D153 IonicContact NH1-OD1 3.85Å; R151-D153 IonicContact NH1-OD2 3.3Å; R151-D153 PolarHBondContact NH1-OD2 3.31Å; R151-D153 IonicContact NH2-OD1 3.39Å; R151-D153 IonicContact NH2-OD2 2.89Å; R151-D153 PolarHBondContact NH2-OD2 2.96Å; R151-D153 PolarHBondContact O-N 3.35Å; D153-V155 WeakPolarHBondContact OD1-CB 3.3Å; D153-V155 PolarHBondContact OD1-N 3.12Å
154G97.1Very high98.1Very high24 Ų2436 Ų3625%0.24718%0.178CC..SBendtrans89.3-0.3176.100000115.1W150 R151 R152W150-G154 VanDerWaalsContact CE3-O 3.32Å; R151-G154 PolarHBondContact O-N 3.33Å; R152-G154 PolarHBondContact O-N 3.11Å
155V98.4Very high98.1Very high56 Ų5634.8 Ų34.834%0.33917%0.173SC..  trans-72.3132.3175.4176.50000110.4R151 D153 A157R151-V155 HydrophobicContact CB-CB 4.44Å; R151-V155 PolarHBondContact N-O 3.28Å; D153-V155 WeakPolarHBondContact OD1-CB 3.3Å; D153-V155 PolarHBondContact OD1-N 3.12Å; V155-A157 PolarHBondContact O-N 3.04Å
156L98.7Very high98Very high51 Ų5135.2 Ų35.227%0.26718%0.175SC..EExtended strand (participates in β ladder)trans-74110.6173.7-176.763.5000109.5R148 W150 A158R148-L156 HydrophobicContact CB-CD1 3.76Å; R148-L156 HydrophobicContact CG-CD1 4.25Å; W150-L156 HydrophobicContact CD2-CD1 3.9Å; W150-L156 HydrophobicContact CE3-CB 3.8Å; W150-L156 HydrophobicContact CE3-CD1 3.99Å; W150-L156 HydrophobicContact CH2-CB 4.18Å; W150-L156 HydrophobicContact CH2-CD1 4.1Å; W150-L156 HydrophobicContact CZ2-CD1 4.02Å; W150-L156 HydrophobicContact CZ3-CB 3.59Å; W150-L156 HydrophobicContact CZ3-CD1 4.1Å; W150-L156 HydrophobicContact CZ3-CG 4.33Å; L156-A158 WeakPolarHBondContact CD1-O 3.31Å
157A98.4Very high97.9Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-86.9-40.9-177.300000112.9H120 S121 F123 M129 L149 R151 V155H120-A157 PolarHBondContact N-O 3.38Å; S121-A157 PolarHBondContact N-O 2.87Å; S121-A157 WeakPolarHBondContact OG-CA 3.37Å; F123-A157 HydrophobicContact CB-CB 3.77Å; F123-A157 HydrophobicContact CD1-CB 3.62Å; F123-A157 HydrophobicContact CE1-CB 4.45Å; F123-A157 HydrophobicContact CG-CB 3.82Å; M129-A157 HydrophobicContact CE-CB 3.49Å; M129-A157 VanDerWaalsContact CE-CB 3.49Å; L149-A157 PolarHBondContact O-N 3.36Å; R151-A157 HydrophobicContact CG-CB 4.08Å; V155-A157 PolarHBondContact O-N 3.04Å
158A98.7Very high97.7Very high0 Ų041.1 Ų41.10%020%0.201CC..EExtended strand (participates in β ladder)trans-150.8158.3179.100000112M117 W118 F119 L149 L156M117-A158 HydrophobicContact CE-CB 3.63Å; W118-A158 CarbonylContact O-C 3.6Å; W118-A158 WeakPolarHBondContact O-CA 3.41Å; W118-A158 WeakPolarHBondContact O-CB 3.18Å; F119-A158 HydrophobicContact CD1-CB 3.96Å; F119-A158 HydrophobicContact CE1-CB 4.46Å; L149-A158 HydrophobicContact CB-CB 4.29Å; L149-A158 HydrophobicContact CD1-CB 4.36Å; L149-A158 PolarHBondContact N-O 3.26Å; L149-A158 PolarHBondContact O-N 3.24Å; L156-A158 WeakPolarHBondContact CD1-O 3.31Å
159S98.7Very high97.4Very high25 Ų2541.9 Ų41.918%0.17521%0.207CC..EExtended strand (participates in β ladder)trans-129.5150.3169.4-52.70000110M117 W118 H120 G147M117-S159 CarbonylContact C-O 3.46Å; M117-S159 WeakPolarHBondContact CA-O 3.41Å; W118-S159 PolarHBondContact N-O 3.06Å; W118-S159 PolarHBondContact O-N 3.11Å; H120-S159 WeakPolarHBondContact NE2-CB 3.39Å; H120-S159 PolarHBondContact NE2-N 2.97Å; H120-S159 PolarHBondContact NE2-OG 3.29Å; G147-S159 CarbonylContact O-C 3.48Å; G147-S159 VanDerWaalsContact O-CA 3.25Å; G147-S159 WeakPolarHBondContact O-CA 3.08Å
160C98.4Very high97Very high6 Ų646 Ų464%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-141.5162.2174.157.50000112.1A116 M117 Y131 Q146 G147A116-C160 CarbonylContact O-C 3.53Å; A116-C160 WeakPolarHBondContact O-CA 3.4Å; A116-C160 WeakPolarHBondContact O-CB 3.28Å; M117-C160 HydrophobicContact CB-CB 4.13Å; M117-C160 HydrophobicContact CG-CB 4.09Å; Y131-C160 PolarHBondContact OH-SG 2.96Å; Q146-C160 WeakPolarHBondContact CA-O 3.44Å; G147-C160 VanDerWaalsContact CA-SG 3.56Å; G147-C160 PolarHBondContact N-O 3.29Å; G147-C160 PolarHBondContact O-N 2.96Å
161S98.5Very high96.3Very high26 Ų2646.9 Ų46.918%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-142.7142.2175.9-172.10000109A116 A145A116-S161 PolarHBondContact N-O 3.06Å; A116-S161 PolarHBondContact O-N 3.31Å; A145-S161 WeakPolarHBondContact O-CA 2.87Å
162Q98.7Very high95.1Very high1 Ų147.6 Ų47.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-146.5127.2180171.2159.6-100.300109.7D91 L94 S112 D114 H115 A145D91-Q162 PolarHBondContact OD1-NE2 3.47Å; D91-Q162 PolarHBondContact OD1-OE1 3.47Å; L94-Q162 HydrophobicContact CD2-CB 3.68Å; L94-Q162 HydrophobicContact CG-CB 4.4Å; S112-Q162 VanDerWaalsContact OG-CD 3.28Å; S112-Q162 PolarHBondContact OG-OE1 3.21Å; D114-Q162 VanDerWaalsContact O-CG 3.29Å; D114-Q162 WeakPolarHBondContact O-CG 3.41Å; D114-Q162 PolarHBondContact O-OE1 3.03Å; H115-Q162 PolarHBondContact ND1-OE1 3.28Å; A145-Q162 PolarHBondContact N-O 2.9Å; A145-Q162 PolarHBondContact O-N 3.07Å
163E98.5Very high93.7Very high53 Ų5349.4 Ų49.425%0.24827%0.271CS..EExtended strand (participates in β ladder)trans-94.5139.7158.9-160.1-178.2-151.600109.2L113 D114 R142 G143L113-E163 WeakPolarHBondContact CB-O 3.35Å; L113-E163 HydrophobicContact CD1-CG 4.41Å; L113-E163 PolarHBondContact N-O 2.96Å; D114-E163 PolarHBondContact N-O 3.05Å; D114-E163 WeakPolarHBondContact OD1-CA 3.27Å; D114-E163 WeakPolarHBondContact OD1-CB 3.42Å; D114-E163 PolarHBondContact OD1-N 3.41Å; R142-E163 HydrophobicContact CB-CG 4.36Å; R142-E163 WeakPolarHBondContact CD-OE1 3.41Å; R142-E163 IonicContact CZ-OE1 3.56Å; R142-E163 IonicContact NE-OE1 2.73Å; R142-E163 PolarHBondContact NE-OE1 3.39Å; R142-E163 IonicContact NE-OE2 3.59Å; G143-E163 WeakPolarHBondContact O-CA 3.42Å
164G98.2Very high91.7Very high0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-135.3155.9173.600000111.9A111 R142 G143 L166A111-G164 CarbonylContact O-C 3.53Å; A111-G164 VanDerWaalsContact O-CA 3.24Å; A111-G164 WeakPolarHBondContact O-CA 3.23Å; R142-G164 CarbonylContact C-O 3.52Å; R142-G164 WeakPolarHBondContact CA-O 3.5Å; G143-G164 PolarHBondContact N-O 3.32Å; G143-G164 PolarHBondContact O-N 3.09Å; G164-L166 WeakPolarHBondContact O-CD1 3.49Å
165V98.1Very high89Confident24 Ų2455.2 Ų55.215%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-75.3132.6164.8171.90000108.7F109 T110 A111 L113 S141 R167F109-V165 HydrophobicContact CD1-CG1 4.2Å; F109-V165 HydrophobicContact CE1-CG1 4.14Å; T110-V165 VanDerWaalsContact CA-O 3.25Å; T110-V165 WeakPolarHBondContact CA-O 3.48Å; A111-V165 PolarHBondContact N-O 3.31Å; A111-V165 PolarHBondContact O-N 3.38Å; L113-V165 HydrophobicContact CD1-CG2 3.95Å; L113-V165 HydrophobicContact CD2-CG2 3.75Å; L113-V165 HydrophobicContact CG-CG2 3.94Å; S141-V165 WeakPolarHBondContact O-CA 3.37Å; V165-R167 HydrophobicContact CG1-CG 4.28Å
166L96.2Very high86.3Confident10 Ų1062.6 Ų62.65%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-127.2112.2169.2-56.298.1000109.2L95 V98 L99 T110 S141 G143 G164L95-L166 HydrophobicContact CD1-CD1 4.09Å; V98-L166 HydrophobicContact CB-CD1 4.49Å; V98-L166 HydrophobicContact CB-CD2 4.08Å; V98-L166 HydrophobicContact CG1-CD1 3.97Å; V98-L166 HydrophobicContact CG1-CD2 4.05Å; L99-L166 HydrophobicContact CD1-CD2 3.94Å; L99-L166 HydrophobicContact CD2-CD2 3.84Å; L99-L166 HydrophobicContact CG-CD2 3.59Å; T110-L166 HydrophobicContact CG2-CD2 4.31Å; T110-L166 HydrophobicContact CG2-CG 4.24Å; S141-L166 CarbonylContact C-O 3.59Å; S141-L166 WeakPolarHBondContact CA-O 3.37Å; S141-L166 WeakPolarHBondContact CB-O 3.39Å; S141-L166 PolarHBondContact O-N 3.45Å; G143-L166 VanDerWaalsContact N-CD1 3.31Å; G164-L166 WeakPolarHBondContact O-CD1 3.49Å
167R95.8Very high83.2Confident122 Ų12270.8 Ų70.846%0.4637%0.374SS..EExtended strand (participates in β ladder)trans-99.2118.5165.9-61.5-66.7-167.3-97.24.7107.7R108 F109 V165R108-R167 WeakPolarHBondContact CA-O 3.27Å; R108-R167 PolarHBondContact N-O 3.33Å; F109-R167 HydrophobicContact CB-CB 4.12Å; F109-R167 HydrophobicContact CB-CG 4.46Å; F109-R167 HydrophobicContact CD1-CG 4.24Å; F109-R167 PolarHBondContact N-O 2.9Å; F109-R167 VanDerWaalsContact N-O 3.17Å; F109-R167 PolarHBondContact O-N 3.34Å; V165-R167 HydrophobicContact CG1-CG 4.28Å
168V94.2Very high82.4Confident68 Ų6874.4 Ų74.441%0.41239%0.392SS..EExtended strand (participates in β ladder)trans-107157.5-175-62.30000112L99 Y105 K106L99-V168 HydrophobicContact CD2-CG1 3.71Å; Y105-V168 HydrophobicContact CD1-CB 4.32Å; Y105-V168 HydrophobicContact CD1-CG2 3.89Å; Y105-V168 HydrophobicContact CG-CG2 4.31Å; K106-V168 CarbonylContact O-C 3.53Å; K106-V168 VanDerWaalsContact O-CA 3.31Å; K106-V168 WeakPolarHBondContact O-CA 3.29Å
169K93.4Very high81.5Confident87 Ų8778.3 Ų78.338%0.37841%0.413SS..EExtended strand (participates in β ladder)trans-130.6150.2166.659.3177.9164.8175.50109.6Y105 K106 R108Y105-K169 WeakPolarHBondContact CA-O 3.28Å; K106-K169 HydrophobicContact CD-CG 4.33Å; K106-K169 VanDerWaalsContact CE-CE 3.49Å; K106-K169 HydrophobicContact CG-CD 4.36Å; K106-K169 HydrophobicContact CG-CG 3.65Å; K106-K169 PolarHBondContact N-O 3.27Å; K106-K169 PolarHBondContact O-N 3.27Å; R108-K169 HydrophobicContact CB-CD 4.3Å; R108-K169 HydrophobicContact CB-CG 4.22Å
170P90.8Very high80.6Confident90 Ų9081.2 Ų81.258%0.58443%0.426SS*.EExtended strand (participates in β ladder)trans-56.5142.9172-23.733.9000111.5K104 Y105K104-P170 CarbonylContact O-C 3.53Å; K104-P170 WeakPolarHBondContact O-CA 3.38Å; Y105-P170 HydrophobicContact CE1-CG 4.34Å
171V83.4Confident79.5Confident56 Ų5685.6 Ų85.634%0.33945%0.449SS..PPolyproline II helixtrans-81122.6162.6-177.90000106.1K104 K106 E173K104-V171 PolarHBondContact O-N 2.91Å; K106-V171 HydrophobicContact CB-CG2 3.94Å; K106-V171 HydrophobicContact CD-CG2 4.17Å; K106-V171 HydrophobicContact CG-CG2 3.93Å; V171-E173 PolarHBondContact O-N 3.18Å
172P73.1Confident78.3Confident92 Ų9289.4 Ų89.460%0.59747%0.466SS*.PPolyproline II helixtrans-55.7125.9177.6-21.331.3000109.7N174P172-N174 PolarHBondContact O-N 3.07Å
173E65.2Low77Confident149 Ų14995.3 Ų95.370%0.69650%0.496SS*.PPolyproline II helixtrans-68.2121.5163.8-80175.9179.400106K104 V171 S175K104-E173 IonicContact NZ-OE1 3.41Å; K104-E173 PolarHBondContact NZ-OE1 3.3Å; V171-E173 PolarHBondContact O-N 3.18Å; E173-S175 PolarHBondContact O-N 3.41Å
174N52.9Low75.5Confident157 Ų15798.3 Ų98.384%0.8451%0.514SS*.  trans-63.995.7165-78.9-9.1000106P172 K176P172-N174 PolarHBondContact O-N 3.07Å; N174-K176 PolarHBondContact O-N 3.44Å
175S40.3Very low73.7Confident86 Ų86105.8 Ų105.860%0.60155%0.554SS**  trans-54.9120.6174.1-177.20000108.1E173 L177E173-S175 PolarHBondContact O-N 3.41Å; S175-L177 PolarHBondContact O-N 3.27Å; S175-L177 WeakPolarHBondContact OG-CB 3.45Å; S175-L177 PolarHBondContact OG-N 2.75Å
176K41.6Very low71.7Confident211 Ų211112.7 Ų112.792%0.91759%0.588SS**  trans-88.449.8165.6-68.5-169.8177.3-173.40109.6N174N174-K176 PolarHBondContact O-N 3.44Å
177L33.2Very low69.4Low224 Ų224122 Ų122100%1.17364%0.636SS**  trans-117.80165.9-70.2170.8000107.4S175S175-L177 PolarHBondContact O-N 3.27Å; S175-L177 WeakPolarHBondContact OG-CB 3.45Å; S175-L177 PolarHBondContact OG-N 2.75Å

Retrieved 177 of 177 residues in 34.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).