A0A087YK93_POEFO Loading...

Riboflavin kinase

Catalyzes the phosphorylation of riboflavin (vitamin B2) to form flavin-mononucleotide (FMN), hence rate-limiting enzyme in the synthesis of FAD. Essential for TNF-induced reactive oxygen species (ROS) production. Through its interaction with both TNFRSF1A and CYBA, physically and functionally couples TNFRSF1A to NADPH oxidase. TNF-activation of RFK may enhance the incorporation of FAD in NADPH oxidase, a critical step for the assembly and activation of NADPH oxidase.

AlphaFold DB , UniProt , Accession A0A087YK93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.6Low93.6Very high97 Ų9767 Ų6748%0.47833%0.328SS..  0111.40-145.6169-70.100106.8L4 D41 I42 Y47 Y102M1-L4 HydrophobicContact CB-CD1 4.29Å; M1-L4 HydrophobicContact CB-CG 4.4Å; M1-L4 HydrophobicContact CG-CD1 4.43Å; M1-L4 HydrophobicContact CG-CG 4.31Å; M1-L4 HydrophobicContact SD-CD1 3.83Å; M1-L4 HydrophobicContact SD-CG 4.06Å; M1-D41 WeakPolarHBondContact CG-O 3.32Å; M1-I42 HydrophobicContact SD-CB 4.5Å; M1-I42 HydrophobicContact SD-CG1 4.28Å; M1-Y47 HydrophobicContact CE-CE1 3.79Å; M1-Y47 WeakPolarHBondContact CE-OH 3.13Å; M1-Y47 HydrophobicContact SD-CE1 3.44Å; M1-Y47 WeakPolarHBondContact SD-CE1 3.35Å; M1-Y47 PolarHBondContact SD-OH 3.05Å; M1-Y47 VanDerWaalsContact SD-OH 3.37Å; M1-Y102 HydrophobicContact CE-CD2 4.1Å; M1-Y102 HydrophobicContact CE-CG 4.32Å
2K86.1Confident93.9Very high199 Ų19961.8 Ų61.887%0.86530%0.303SS*.  trans-87.8-20.6-173-70.1-176.8179.3-179.90111.8L4 D41K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 2.92Å; K2-D41 PolarHBondContact N-OD2 2.92Å
3S94Very high94Very high41 Ų4160.7 Ų60.729%0.28730%0.302SS..SBendtrans-85.511.1-177-57.80000115.1P5 Y6 P39 D41S3-P5 CarbonylContact O-C 3.52Å; S3-Y6 WeakPolarHBondContact O-CB 3.19Å; S3-P39 WeakPolarHBondContact OG-CB 3.34Å; S3-D41 VanDerWaalsContact CB-OD1 3.24Å; S3-D41 WeakPolarHBondContact CB-OD1 3.39Å; S3-D41 PolarHBondContact N-OD2 3.13Å; S3-D41 VanDerWaalsContact N-OD2 3.13Å; S3-D41 VanDerWaalsContact OG-CG 3.25Å; S3-D41 PolarHBondContact OG-OD1 3.49Å; S3-D41 PolarHBondContact OG-OD2 3.1Å
4L96.6Very high93.8Very high38 Ų3869.8 Ų69.820%0.19933%0.331CS..  trans-99141.1172-63.1-178.5000110.5M1 K2 I42 Y47 L99M1-L4 HydrophobicContact CB-CD1 4.29Å; M1-L4 HydrophobicContact CB-CG 4.4Å; M1-L4 HydrophobicContact CG-CD1 4.43Å; M1-L4 HydrophobicContact CG-CG 4.31Å; M1-L4 HydrophobicContact SD-CD1 3.83Å; M1-L4 HydrophobicContact SD-CG 4.06Å; K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 2.92Å; L4-I42 HydrophobicContact CD2-CD1 4.37Å; L4-Y47 HydrophobicContact CD1-CD1 4.5Å; L4-Y47 HydrophobicContact CD1-CE1 4.39Å; L4-L99 HydrophobicContact CD2-CB 3.8Å
5P97.9Very high93.2Very high62 Ų6267 Ų6740%0.40333%0.328SS..SBendcis-70.6138.9-1.127.1-32.5000113S3 F7 V98 L99 L138S3-P5 CarbonylContact O-C 3.52Å; P5-F7 HydrophobicContact CB-CE2 3.85Å; P5-F7 HydrophobicContact CB-CZ 4.27Å; P5-F7 HydrophobicContact CG-CE2 3.85Å; P5-F7 HydrophobicContact CG-CZ 4.26Å; P5-V98 HydrophobicContact CB-CG1 3.98Å; P5-L99 CarbonylContact C-O 3.58Å; P5-L99 WeakPolarHBondContact CA-O 3.38Å; P5-L138 HydrophobicContact CB-CD1 4.17Å; P5-L138 HydrophobicContact CG-CD1 4.44Å
6Y98.3Very high92Very high34 Ų3470.1 Ų70.113%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-109130.5179.1178.3-101.6000110.6S3 C8 N37 L38 P39 I42 V98 L99S3-Y6 WeakPolarHBondContact O-CB 3.19Å; Y6-C8 HydrophobicContact CD1-CB 4.44Å; Y6-C8 HydrophobicContact CE1-CB 3.66Å; Y6-N37 PolarHBondContact OH-O 3.21Å; Y6-L38 HydrophobicContact CD1-CD2 4.17Å; Y6-L38 HydrophobicContact CE1-CD2 3.64Å; Y6-P39 HydrophobicContact CD2-CG 3.79Å; Y6-P39 HydrophobicContact CE2-CG 3.64Å; Y6-I42 HydrophobicContact CD1-CD1 4.12Å; Y6-I42 HydrophobicContact CD2-CD1 4.01Å; Y6-I42 HydrophobicContact CG-CD1 3.67Å; Y6-V98 CarbonylContact O-C 3.49Å; Y6-V98 WeakPolarHBondContact O-CA 3.45Å; Y6-L99 HydrophobicContact CD1-CD1 4Å; Y6-L99 PolarHBondContact N-O 3.41Å; Y6-L99 PolarHBondContact O-N 2.9Å
7F98.1Very high90.2Very high70 Ų7070.2 Ų70.231%0.30736%0.363SS..EExtended strand (participates in β ladder)trans-112.7127.8-174.3-61.2-107.5000109.2P5 V97 V98 L138 D141 F143P5-F7 HydrophobicContact CB-CE2 3.85Å; P5-F7 HydrophobicContact CB-CZ 4.27Å; P5-F7 HydrophobicContact CG-CE2 3.85Å; P5-F7 HydrophobicContact CG-CZ 4.26Å; F7-V97 WeakPolarHBondContact CA-O 3.45Å; F7-V98 HydrophobicContact CD1-CB 4.27Å; F7-V98 HydrophobicContact CD1-CG1 4.05Å; F7-V98 HydrophobicContact CD1-CG2 3.34Å; F7-V98 HydrophobicContact CE1-CB 4.25Å; F7-V98 HydrophobicContact CE1-CG1 3.72Å; F7-V98 HydrophobicContact CE1-CG2 3.45Å; F7-V98 VanDerWaalsContact CE1-CG2 3.45Å; F7-V98 HydrophobicContact CE2-CG1 4.26Å; F7-V98 HydrophobicContact CG-CG1 4.45Å; F7-V98 HydrophobicContact CG-CG2 4.19Å; F7-V98 HydrophobicContact CZ-CG1 3.82Å; F7-V98 HydrophobicContact CZ-CG2 4.39Å; F7-L138 HydrophobicContact CZ-CD2 4.42Å; F7-D141 HydrophobicContact CE1-CB 4.48Å; F7-F143 HydrophobicContact CB-CD2 4.13Å; F7-F143 HydrophobicContact CB-CE1 4.42Å; F7-F143 HydrophobicContact CB-CE2 3.93Å; F7-F143 HydrophobicContact CB-CG 4.45Å; F7-F143 HydrophobicContact CB-CZ 4.07Å; F7-F143 HydrophobicContact CD1-CB 3.72Å; F7-F143 AromaticContact CD1-CD1 3.68Å; F7-F143 HydrophobicContact CD1-CD1 3.68Å; F7-F143 AromaticContact CD1-CD2 3.93Å; F7-F143 HydrophobicContact CD1-CD2 3.93Å; F7-F143 HydrophobicContact CD1-CE1 4.23Å; F7-F143 HydrophobicContact CD1-CE2 4.46Å; F7-F143 AromaticContact CD1-CG 3.49Å; F7-F143 HydrophobicContact CD1-CG 3.49Å; F7-F143 VanDerWaalsContact CD1-CG 3.49Å; F7-F143 HydrophobicContact CE1-CB 3.98Å; F7-F143 HydrophobicContact CE1-CD1 4.43Å; F7-F143 HydrophobicContact CE1-CG 4.22Å; F7-F143 HydrophobicContact CG-CD2 4.48Å; F7-F143 HydrophobicContact CG-CG 4.42Å
8C97.9Very high88.8Confident11 Ų1175.4 Ų75.47%0.07438%0.377CS..EExtended strand (participates in β ladder)trans-149.6157.2170.769.50000112.4Y6 V34 V97 F143Y6-C8 HydrophobicContact CD1-CB 4.44Å; Y6-C8 HydrophobicContact CE1-CB 3.66Å; C8-V34 HydrophobicContact CB-CG1 4.11Å; C8-V97 PolarHBondContact N-O 3.47Å; C8-V97 PolarHBondContact O-N 3.02Å; C8-V97 WeakPolarHBondContact SG-CG2 3.35Å; C8-F143 WeakPolarHBondContact O-CZ 3.41Å
9R97.9Very high87.6Confident63 Ų6372.6 Ų72.624%0.23837%0.37CS..EExtended strand (participates in β ladder)trans-132.1149.3175.6-56.5-170.5174171.1-11.8109.5V34 T94 L95 S96 F143 S146R9-V34 WeakPolarHBondContact O-CG2 3.39Å; R9-T94 HydrophobicContact CB-CG2 4.18Å; R9-L95 WeakPolarHBondContact CA-O 3.38Å; R9-S96 VanDerWaalsContact CD-OG 3.27Å; R9-S96 WeakPolarHBondContact CD-OG 3.49Å; R9-S96 WeakPolarHBondContact CG-OG 3.24Å; R9-S96 PolarHBondContact NE-OG 2.75Å; R9-F143 HydrophobicContact CG-CE1 4.28Å; R9-F143 HydrophobicContact CG-CE2 3.74Å; R9-F143 HydrophobicContact CG-CZ 3.34Å; R9-F143 PolarHBondContact NH2-O 3.35Å; R9-S146 PolarHBondContact NH1-O 3.43Å; R9-S146 PolarHBondContact NH2-O 2.85Å
10G97.3Very high86.9Confident10 Ų1070.6 Ų70.610%0.10336%0.362CS..EExtended strand (participates in β ladder)trans-171.6158175.200000112.3L95G10-L95 PolarHBondContact N-O 3.09Å; G10-L95 PolarHBondContact O-N 2.83Å
11E97.9Very high86.4Confident112 Ų11273 Ų7352%0.52337%0.371SS..EExtended strand (participates in β ladder)trans-65.9137173.7-169.6-179.3156.800110.6V13 P31 G92E11-V13 PolarHBondContact O-N 2.81Å; E11-P31 WeakPolarHBondContact O-CD 3.39Å; E11-G92 WeakPolarHBondContact OE1-CA 3.41Å
12V97.4Very high86.9Confident4 Ų477 Ų772%0.02439%0.388CS..  trans-73.9113.6175.5176.40000109.8A28 F90 Y91 G92 Q93 L95V12-A28 HydrophobicContact CG1-CB 3.75Å; V12-A28 HydrophobicContact CG2-CB 4.19Å; V12-F90 HydrophobicContact CB-CD2 4.29Å; V12-F90 HydrophobicContact CG1-CD2 4.16Å; V12-F90 HydrophobicContact CG1-CE2 4.18Å; V12-F90 HydrophobicContact CG2-CD2 3.86Å; V12-F90 HydrophobicContact CG2-CE2 3.96Å; V12-Y91 HydrophobicContact CG1-CD1 3.99Å; V12-Y91 HydrophobicContact CG1-CE1 4.4Å; V12-G92 PolarHBondContact O-N 2.94Å; V12-Q93 PolarHBondContact N-O 2.8Å; V12-L95 HydrophobicContact CG2-CB 3.45Å; V12-L95 VanDerWaalsContact CG2-CB 3.45Å; V12-L95 HydrophobicContact CG2-CD2 4.17Å; V12-L95 HydrophobicContact CG2-CG 4.4Å
13V95.4Very high86.7Confident48 Ų4870 Ų7029%0.29136%0.36SS..BIsolated β-bridgetrans-101.8160.2178.6-59.70000111.5E11 N29 P31E11-V13 PolarHBondContact O-N 2.81Å; V13-N29 HydrophobicContact CG2-CB 3.94Å; V13-N29 WeakPolarHBondContact CG2-O 3.49Å; V13-N29 PolarHBondContact N-O 2.6Å; V13-P31 HydrophobicContact CG1-CB 4.26Å
14R91.3Very high86.2Confident188 Ų18870.8 Ų70.871%0.70937%0.374SS*.  trans-72.8130.4172.7-67.1178.9-176-92.2-0.8109.5Y91R14-Y91 HydrophobicContact CB-CE1 4.2Å; R14-Y91 HydrophobicContact CG-CD1 3.71Å; R14-Y91 HydrophobicContact CG-CE1 3.54Å; R14-Y91 HydrophobicContact CG-CE2 4.46Å; R14-Y91 HydrophobicContact CG-CG 4.26Å
15G84.1Confident85.9Confident28 Ų2869.6 Ų69.629%0.28937%0.368SS..  trans-80.9-169.7168.200000112.3G17G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 2.82Å
16F74.1Confident85.6Confident116 Ų11669.7 Ų69.751%0.50937%0.369SS..  trans-8721.9-176.1-58.8-85.2000114.5N68 Y70F16-N68 WeakPolarHBondContact CE2-ND2 3.47Å; F16-Y70 HydrophobicContact CB-CD2 4.25Å; F16-Y70 HydrophobicContact CB-CE2 3.45Å; F16-Y70 VanDerWaalsContact CB-CE2 3.45Å; F16-Y70 AromaticContact CD1-CD2 3.81Å; F16-Y70 HydrophobicContact CD1-CD2 3.81Å; F16-Y70 AromaticContact CD1-CE2 3.76Å; F16-Y70 HydrophobicContact CD1-CE2 3.76Å; F16-Y70 HydrophobicContact CD1-CG 4.28Å; F16-Y70 AromaticContact CD2-CD2 3.67Å; F16-Y70 HydrophobicContact CD2-CD2 3.67Å; F16-Y70 AromaticContact CD2-CE2 3.71Å; F16-Y70 HydrophobicContact CD2-CE2 3.71Å; F16-Y70 HydrophobicContact CE1-CD2 4.03Å; F16-Y70 HydrophobicContact CE1-CE2 4.44Å; F16-Y70 HydrophobicContact CE1-CG 4.24Å; F16-Y70 AromaticContact CE2-CD2 3.91Å; F16-Y70 HydrophobicContact CE2-CD2 3.91Å; F16-Y70 HydrophobicContact CE2-CE2 4.41Å; F16-Y70 AromaticContact CG-CD2 3.62Å; F16-Y70 HydrophobicContact CG-CD2 3.62Å; F16-Y70 AromaticContact CG-CE2 3.34Å; F16-Y70 HydrophobicContact CG-CE2 3.34Å; F16-Y70 HydrophobicContact CZ-CD2 4.08Å; F16-Y70 HydrophobicContact CZ-CG 4.46Å
17G61.8Low85.4Confident72 Ų7269.8 Ų69.874%0.74237%0.372SS*.  trans73.539.5167.200000116.7G15 G19G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 2.82Å; G17-G19 PolarHBondContact O-N 3Å
18R64Low85.3Confident164 Ų16466.7 Ų66.762%0.61936%0.36SS*.  trans-75.723.9-179.4-69.3-172.2173.1-177.6-1.3116S20R18-S20 PolarHBondContact O-N 2.94Å
19G65.9Low85.3Confident23 Ų2367.2 Ų67.224%0.23736%0.362CS..SBendtrans64.410.6173.500000116G17 K21 E22 L23G17-G19 PolarHBondContact O-N 3Å; G19-K21 PolarHBondContact O-N 3.22Å; G19-K21 VanDerWaalsContact O-N 3.08Å; G19-E22 WeakPolarHBondContact O-CA 3.41Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 3.15Å; G19-L23 PolarHBondContact O-N 3.2Å; G19-L23 VanDerWaalsContact O-N 3.15Å
20S74Confident85.2Confident31 Ų3164.7 Ų64.722%0.21735%0.353CS..THydrogen-bonded Turntrans-57.7-29.9-177.362.30000113R18 L23 G24 I25 T27R18-S20 PolarHBondContact O-N 2.94Å; S20-L23 PolarHBondContact O-N 2.88Å; S20-G24 PolarHBondContact O-N 3.31Å; S20-I25 VanDerWaalsContact CB-O 3.32Å; S20-I25 WeakPolarHBondContact CB-O 3.27Å; S20-I25 CarbonylContact O-C 3.2Å; S20-I25 PolarHBondContact O-N 2.73Å; S20-T27 PolarHBondContact OG-N 3.05Å; S20-T27 PolarHBondContact OG-OG1 2.87Å; S20-T27 VanDerWaalsContact OG-OG1 3.06Å
21K75.7Confident85.1Confident123 Ų12365.7 Ų65.754%0.53536%0.357SS..THydrogen-bonded Turntrans-64.6-38.3170.9-168.7168.6-179.2167.30113.2G19 L23 G24 P26 D89G19-K21 PolarHBondContact O-N 3.22Å; G19-K21 VanDerWaalsContact O-N 3.08Å; K21-L23 VanDerWaalsContact C-N 3.29Å; K21-G24 PolarHBondContact O-N 3.5Å; K21-G24 VanDerWaalsContact O-N 3.16Å; K21-P26 HydrophobicContact CB-CB 4.49Å; K21-D89 IonicContact NZ-OD1 3.82Å; K21-D89 PolarHBondContact NZ-OD1 3.38Å; K21-D89 IonicContact NZ-OD2 2.68Å; K21-D89 PolarHBondContact NZ-OD2 2.64Å
22E79Confident84.9Confident179 Ų17962.6 Ų62.684%0.83635%0.345SS*.THydrogen-bonded Turntrans-70.5-28.6176.1-61.6173.8-165.500111.6G19 G24G19-E22 WeakPolarHBondContact O-CA 3.41Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 3.15Å; E22-G24 PolarHBondContact O-N 3.17Å
23L81.2Confident84.8Confident53 Ų5366.1 Ų66.128%0.27737%0.369SS..THydrogen-bonded Turntrans-76.1-3.4172.5-51.5-177.5000113.2G19 S20 K21 I25 L112 I116G19-L23 PolarHBondContact O-N 3.2Å; G19-L23 VanDerWaalsContact O-N 3.15Å; S20-L23 PolarHBondContact O-N 2.88Å; K21-L23 VanDerWaalsContact C-N 3.29Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.55Å; L23-L112 HydrophobicContact CD1-CD1 3.84Å; L23-L112 HydrophobicContact CD2-CD1 3.75Å; L23-L112 HydrophobicContact CD2-CD2 3.84Å; L23-L112 HydrophobicContact CD2-CG 4.18Å; L23-L112 HydrophobicContact CG-CD1 4.46Å; L23-I116 HydrophobicContact CD2-CD1 4.26Å
24G85Confident84.9Confident57 Ų5764.7 Ų64.759%0.58836%0.361SS*.THydrogen-bonded Turntrans77.110.2-176.100000114.6S20 K21 E22 P26S20-G24 PolarHBondContact O-N 3.31Å; K21-G24 PolarHBondContact O-N 3.5Å; K21-G24 VanDerWaalsContact O-N 3.16Å; E22-G24 PolarHBondContact O-N 3.17Å; G24-P26 VanDerWaalsContact C-CD 3.47Å; G24-P26 WeakPolarHBondContact O-CD 3.37Å
25I89.3Confident85.1Confident13 Ų1356 Ų567%0.06733%0.329CS..  trans-127.166.2-175.9-44.7174000109.4S20 L23 T27 H81 I119 I123S20-I25 VanDerWaalsContact CB-O 3.32Å; S20-I25 WeakPolarHBondContact CB-O 3.27Å; S20-I25 CarbonylContact O-C 3.2Å; S20-I25 PolarHBondContact O-N 2.73Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.55Å; I25-T27 PolarHBondContact O-N 3.27Å; I25-H81 HydrophobicContact CG2-CB 4.15Å; I25-I119 HydrophobicContact CD1-CB 3.9Å; I25-I119 HydrophobicContact CD1-CD1 4.18Å; I25-I119 HydrophobicContact CD1-CG2 3.59Å; I25-I119 HydrophobicContact CG2-CG2 3.86Å; I25-I123 HydrophobicContact CG2-CD1 4.28Å
26P92.8Very high85.6Confident65 Ų6559 Ų5942%0.42234%0.338SS..  trans-61.9137.4-175.726.5-35.9000111.7K21 G24 H81K21-P26 HydrophobicContact CB-CB 4.49Å; G24-P26 VanDerWaalsContact C-CD 3.47Å; G24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-H81 PolarHBondContact O-ND1 3.27Å
27T94.1Very high86.7Confident35 Ų3559.3 Ų59.322%0.21535%0.345CS..  trans-116129.7179.149.30000112.1S20 I25 E79 T80 H81S20-T27 PolarHBondContact OG-N 3.05Å; S20-T27 PolarHBondContact OG-OG1 2.87Å; S20-T27 VanDerWaalsContact OG-OG1 3.06Å; I25-T27 PolarHBondContact O-N 3.27Å; T27-E79 HydrophobicContact CG2-CB 4.39Å; T27-E79 PolarHBondContact OG1-OE2 2.96Å; T27-T80 CarbonylContact C-O 3.56Å; T27-T80 WeakPolarHBondContact CA-O 3.32Å; T27-H81 HydrophobicContact CG2-CB 4.2Å
28A95.7Very high88.3Confident5 Ų556.8 Ų56.84%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-88.5133.9172.100000110V12 E79 T80 F90 L95V12-A28 HydrophobicContact CG1-CB 3.75Å; V12-A28 HydrophobicContact CG2-CB 4.19Å; A28-E79 CarbonylContact O-C 3.57Å; A28-E79 WeakPolarHBondContact O-CA 3.15Å; A28-T80 PolarHBondContact N-O 3.26Å; A28-T80 PolarHBondContact O-N 3.25Å; A28-F90 HydrophobicContact CB-CE2 3.78Å; A28-F90 HydrophobicContact CB-CZ 4.22Å; A28-L95 HydrophobicContact CB-CD2 3.96Å
29N96.6Very high89.8Confident22 Ų2250.6 Ų50.612%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-103146.4-179.2-69.4-108.9000110V13 E79V13-N29 HydrophobicContact CG2-CB 3.94Å; V13-N29 WeakPolarHBondContact CG2-O 3.49Å; V13-N29 PolarHBondContact N-O 2.6Å; N29-E79 WeakPolarHBondContact OD1-CG 3.29Å
30F96.6Very high91.1Very high10 Ų1054.3 Ų54.34%0.04432%0.324CS..PPolyproline II helixtrans-94.2152.3168.7-78.2-67.8000111.7V34 V35 M63 M78 L95 V97F30-V34 HydrophobicContact CB-CB 4.2Å; F30-V34 HydrophobicContact CB-CG1 4.23Å; F30-V34 HydrophobicContact CD1-CB 4.45Å; F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.48Å; F30-V34 HydrophobicContact CG-CG1 4.12Å; F30-V35 HydrophobicContact CB-CG2 4.12Å; F30-M63 HydrophobicContact CD2-CE 4.39Å; F30-M63 HydrophobicContact CE2-CE 3.86Å; F30-M78 HydrophobicContact CB-CB 4.47Å; F30-M78 HydrophobicContact CD2-CB 4Å; F30-M78 HydrophobicContact CD2-CE 4.01Å; F30-M78 HydrophobicContact CE2-CE 4.25Å; F30-M78 PolarHBondContact N-O 2.85Å; F30-L95 HydrophobicContact CE1-CB 4.01Å; F30-L95 HydrophobicContact CE1-CD2 4.2Å; F30-L95 HydrophobicContact CE1-CG 4.18Å; F30-L95 WeakPolarHBondContact CE1-O 3.33Å; F30-L95 HydrophobicContact CE2-CD2 3.92Å; F30-L95 HydrophobicContact CE2-CG 4.46Å; F30-L95 HydrophobicContact CZ-CB 4.04Å; F30-L95 HydrophobicContact CZ-CD2 3.59Å; F30-L95 HydrophobicContact CZ-CG 3.68Å; F30-V97 HydrophobicContact CE2-CG1 4.26Å; F30-V97 HydrophobicContact CE2-CG2 3.94Å; F30-V97 HydrophobicContact CZ-CG1 4.05Å; F30-V97 HydrophobicContact CZ-CG2 3.85Å
31P95.5Very high92Very high31 Ų3155.9 Ų55.920%0.20133%0.33CS..PPolyproline II helixtrans-69.7153.7173.230.9-35.4000110.8E11 V13 S33 V34 V35E11-P31 WeakPolarHBondContact O-CD 3.39Å; V13-P31 HydrophobicContact CG1-CB 4.26Å; P31-S33 PolarHBondContact O-N 3.13Å; P31-V34 HydrophobicContact CG-CB 4.44Å; P31-V34 HydrophobicContact CG-CG2 3.9Å; P31-V34 PolarHBondContact O-N 2.83Å; P31-V35 PolarHBondContact O-N 2.94Å
32D93.4Very high93Very high48 Ų4850 Ų5026%0.25730%0.304SS..Hα-helixtrans-49.1-36.9177.5-77.220.8000112.7V34 V35 D36 K75D32-V34 PolarHBondContact O-N 3.39Å; D32-V35 PolarHBondContact O-N 2.8Å; D32-V35 VanDerWaalsContact O-N 3.13Å; D32-D36 VanDerWaalsContact O-CB 3.25Å; D32-D36 WeakPolarHBondContact O-CB 3.15Å; D32-D36 PolarHBondContact O-N 3.3Å; D32-K75 WeakPolarHBondContact OD2-CD 3.15Å; D32-K75 IonicContact OD2-NZ 3.88Å; D32-K75 PolarHBondContact OD2-NZ 2.77Å
33S95.4Very high93.8Very high78 Ų7843.8 Ų43.855%0.54528%0.281SS..Hα-helixtrans-60.1-28.1178.957.20000113.9P31 N37P31-S33 PolarHBondContact O-N 3.13Å; S33-N37 PolarHBondContact O-ND2 3.4Å
34V96.9Very high94.6Very high18 Ų1842.8 Ų42.811%0.10928%0.276CS..Hα-helixtrans-83.5-42.9174.1174.10000110.2C8 R9 F30 P31 D32 N37C8-V34 HydrophobicContact CB-CG1 4.11Å; R9-V34 WeakPolarHBondContact O-CG2 3.39Å; F30-V34 HydrophobicContact CB-CB 4.2Å; F30-V34 HydrophobicContact CB-CG1 4.23Å; F30-V34 HydrophobicContact CD1-CB 4.45Å; F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.48Å; F30-V34 HydrophobicContact CG-CG1 4.12Å; P31-V34 HydrophobicContact CG-CB 4.44Å; P31-V34 HydrophobicContact CG-CG2 3.9Å; P31-V34 PolarHBondContact O-N 2.83Å; D32-V34 PolarHBondContact O-N 3.39Å; V34-N37 PolarHBondContact O-N 3.34Å
35V95.9Very high95.2Very high6 Ų640 Ų404%0.03625%0.248CC..Hα-helixtrans-68.2-37.9-176-172.70000112F30 P31 D32 N37 L38 K76 M78F30-V35 HydrophobicContact CB-CG2 4.12Å; P31-V35 PolarHBondContact O-N 2.94Å; D32-V35 PolarHBondContact O-N 2.8Å; D32-V35 VanDerWaalsContact O-N 3.13Å; V35-N37 PolarHBondContact O-N 3.35Å; V35-L38 HydrophobicContact CG1-CD1 4Å; V35-L38 VanDerWaalsContact O-CB 3.28Å; V35-L38 WeakPolarHBondContact O-CB 3.25Å; V35-L38 WeakPolarHBondContact O-CG 3.34Å; V35-L38 PolarHBondContact O-N 2.87Å; V35-K76 HydrophobicContact CG1-CB 3.72Å; V35-K76 WeakPolarHBondContact CG1-O 3.33Å; V35-M78 HydrophobicContact CB-SD 4.31Å; V35-M78 HydrophobicContact CG1-CG 4.09Å; V35-M78 HydrophobicContact CG1-SD 4.31Å; V35-M78 HydrophobicContact CG2-CB 4.13Å; V35-M78 HydrophobicContact CG2-CG 3.98Å; V35-M78 HydrophobicContact CG2-SD 3.94Å
36D94.8Very high95.6Very high91 Ų9140.3 Ų40.349%0.48725%0.25SC..THydrogen-bonded Turntrans-67.3-15178.5-70.1-19.3000111.9D32 K75D32-D36 VanDerWaalsContact O-CB 3.25Å; D32-D36 WeakPolarHBondContact O-CB 3.15Å; D32-D36 PolarHBondContact O-N 3.3Å; D36-K75 IonicContact OD1-NZ 2.95Å; D36-K75 IonicContact OD2-NZ 3.73Å; D36-K75 PolarHBondContact OD2-NZ 3.05Å
37N96.2Very high95.9Very high122 Ų12237.2 Ų37.265%0.65223%0.23SC*.THydrogen-bonded Turntrans-92.65173.2-78.3-65.6000113.8Y6 S33 V34 V35Y6-N37 PolarHBondContact OH-O 3.21Å; S33-N37 PolarHBondContact O-ND2 3.4Å; V34-N37 PolarHBondContact O-N 3.34Å; V35-N37 PolarHBondContact O-N 3.35Å
38L95.8Very high96.1Very high19 Ų1936.2 Ų36.210%0.09922%0.222CC..SBendtrans-63.1131.5173.7-81.6174.3000110.9Y6 V35 A40 I42 I65 K76 M78Y6-L38 HydrophobicContact CD1-CD2 4.17Å; Y6-L38 HydrophobicContact CE1-CD2 3.64Å; V35-L38 HydrophobicContact CG1-CD1 4Å; V35-L38 VanDerWaalsContact O-CB 3.28Å; V35-L38 WeakPolarHBondContact O-CB 3.25Å; V35-L38 WeakPolarHBondContact O-CG 3.34Å; V35-L38 PolarHBondContact O-N 2.87Å; L38-A40 PolarHBondContact O-N 3.17Å; L38-I42 HydrophobicContact CD2-CD1 4.18Å; L38-I42 HydrophobicContact CD2-CG2 4.31Å; L38-I65 HydrophobicContact CD1-CD1 4.29Å; L38-I65 HydrophobicContact CD1-CG2 4.07Å; L38-I65 HydrophobicContact CD2-CD1 4.48Å; L38-K76 HydrophobicContact CD1-CD 4.25Å; L38-M78 HydrophobicContact CD1-CG 3.81Å; L38-M78 HydrophobicContact CD1-SD 3.61Å; L38-M78 HydrophobicContact CD2-CE 4.17Å; L38-M78 HydrophobicContact CD2-SD 3.83Å; L38-M78 HydrophobicContact CG-SD 3.72Å
39P95.9Very high96.3Very high34 Ų3436 Ų3622%0.22122%0.22CC..  trans-54.3140.6170.1-26.633.9000111.8S3 Y6 D41 I42S3-P39 WeakPolarHBondContact OG-CB 3.34Å; Y6-P39 HydrophobicContact CD2-CG 3.79Å; Y6-P39 HydrophobicContact CE2-CG 3.64Å; P39-D41 WeakPolarHBondContact CB-OD1 3.28Å; P39-D41 PolarHBondContact O-N 3.12Å; P39-D41 VanDerWaalsContact O-N 3.16Å; P39-I42 HydrophobicContact CB-CD1 4.47Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.15Å; P39-I42 HydrophobicContact CG-CG1 4.48Å; P39-I42 PolarHBondContact O-N 2.95Å
40A92.8Very high96.4Very high100 Ų10035.2 Ų35.283%0.82622%0.215SC*.THydrogen-bonded Turntrans-60.9-27.6-176.300000113.4L38 I42L38-A40 PolarHBondContact O-N 3.17Å; A40-I42 VanDerWaalsContact C-N 3.33Å
41D94.1Very high96.5Very high64 Ų6434.7 Ų34.734%0.34221%0.213SC..THydrogen-bonded Turntrans-81.2-8.1178.775.7-45.9000113.9M1 K2 S3 P39 S43M1-D41 WeakPolarHBondContact CG-O 3.32Å; K2-D41 PolarHBondContact N-OD2 2.92Å; S3-D41 VanDerWaalsContact CB-OD1 3.24Å; S3-D41 WeakPolarHBondContact CB-OD1 3.39Å; S3-D41 PolarHBondContact N-OD2 3.13Å; S3-D41 VanDerWaalsContact N-OD2 3.13Å; S3-D41 VanDerWaalsContact OG-CG 3.25Å; S3-D41 PolarHBondContact OG-OD1 3.49Å; S3-D41 PolarHBondContact OG-OD2 3.1Å; P39-D41 WeakPolarHBondContact CB-OD1 3.28Å; P39-D41 PolarHBondContact O-N 3.12Å; P39-D41 VanDerWaalsContact O-N 3.16Å; D41-S43 PolarHBondContact O-N 3.37Å
42I96.1Very high96.6Very high0 Ų033.3 Ų33.30%020%0.204CC..SBendtrans-78.697.9166.3-61.5-172.8000107.9M1 L4 Y6 L38 P39 A40 Y47 I65 K76M1-I42 HydrophobicContact SD-CB 4.5Å; M1-I42 HydrophobicContact SD-CG1 4.28Å; L4-I42 HydrophobicContact CD2-CD1 4.37Å; Y6-I42 HydrophobicContact CD1-CD1 4.12Å; Y6-I42 HydrophobicContact CD2-CD1 4.01Å; Y6-I42 HydrophobicContact CG-CD1 3.67Å; L38-I42 HydrophobicContact CD2-CD1 4.18Å; L38-I42 HydrophobicContact CD2-CG2 4.31Å; P39-I42 HydrophobicContact CB-CD1 4.47Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.15Å; P39-I42 HydrophobicContact CG-CG1 4.48Å; P39-I42 PolarHBondContact O-N 2.95Å; A40-I42 VanDerWaalsContact C-N 3.33Å; I42-Y47 HydrophobicContact CG2-CE1 4.27Å; I42-Y47 HydrophobicContact CG2-CE2 4.37Å; I42-Y47 WeakPolarHBondContact CG2-OH 3.34Å; I42-I65 HydrophobicContact CG2-CD1 3.56Å; I42-K76 PolarHBondContact O-NZ 3.27Å
43S95.8Very high96.8Very high49 Ų4931.7 Ų31.734%0.34320%0.196SC..  trans-72.6169.3-179.962.30000112D41 Y47D41-S43 PolarHBondContact O-N 3.37Å; S43-Y47 PolarHBondContact N-OH 3.2Å; S43-Y47 WeakPolarHBondContact O-CE2 3.37Å; S43-Y47 PolarHBondContact O-OH 3.22Å; S43-Y47 PolarHBondContact OG-OH 3.2Å
44T97.3Very high96.8Very high31 Ų3129 Ų2919%0.1918%0.18CC..SBendtrans-67.2158.2166.265.50000111I65 W67 E106T44-I65 CarbonylContact C-O 3.58Å; T44-I65 WeakPolarHBondContact CA-O 3.32Å; T44-I65 WeakPolarHBondContact CB-O 3.49Å; T44-W67 HydrophobicContact CG2-CG 4.41Å; T44-E106 WeakPolarHBondContact CB-OE2 3.27Å; T44-E106 PolarHBondContact OG1-OE2 3.48Å
45G97.9Very high96.5Very high0 Ų035 Ų350%021%0.211CC..EExtended strand (participates in β ladder)trans135.1-166.4-177.300000113I65 R104G45-I65 PolarHBondContact N-O 2.79Å; G45-I65 PolarHBondContact O-N 2.97Å; G45-R104 CarbonylContact C-O 3.36Å; G45-R104 WeakPolarHBondContact CA-O 3.41Å
46I98.6Very high96.4Very high18 Ų1836.8 Ų36.89%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-105131.2-176.8-49.7-54.9000109.8M63 I103 R104 D122I46-M63 CarbonylContact C-O 3.59Å; I46-M63 WeakPolarHBondContact CA-O 3.39Å; I46-I103 HydrophobicContact CB-CB 4.31Å; I46-I103 HydrophobicContact CG2-CB 4.35Å; I46-I103 HydrophobicContact CG2-CD1 4.09Å; I46-I103 HydrophobicContact CG2-CG1 4.48Å; I46-I103 PolarHBondContact O-N 3.13Å; I46-R104 HydrophobicContact CB-CG 4.13Å; I46-R104 HydrophobicContact CG1-CG 4.03Å; I46-R104 PolarHBondContact N-O 2.89Å; I46-D122 HydrophobicContact CG2-CB 4.11Å
47Y98.8Very high96.5Very high0 Ų037.7 Ų37.70%024%0.236CC..EExtended strand (participates in β ladder)trans-122.4162.5-178.7-66.8-94.9000110.3M1 L4 I42 S43 V62 M63 I65 L99 G101 Y102M1-Y47 HydrophobicContact CE-CE1 3.79Å; M1-Y47 WeakPolarHBondContact CE-OH 3.13Å; M1-Y47 HydrophobicContact SD-CE1 3.44Å; M1-Y47 WeakPolarHBondContact SD-CE1 3.35Å; M1-Y47 PolarHBondContact SD-OH 3.05Å; M1-Y47 VanDerWaalsContact SD-OH 3.37Å; L4-Y47 HydrophobicContact CD1-CD1 4.5Å; L4-Y47 HydrophobicContact CD1-CE1 4.39Å; I42-Y47 HydrophobicContact CG2-CE1 4.27Å; I42-Y47 HydrophobicContact CG2-CE2 4.37Å; I42-Y47 WeakPolarHBondContact CG2-OH 3.34Å; S43-Y47 PolarHBondContact N-OH 3.2Å; S43-Y47 WeakPolarHBondContact O-CE2 3.37Å; S43-Y47 PolarHBondContact O-OH 3.22Å; S43-Y47 PolarHBondContact OG-OH 3.2Å; Y47-V62 CarbonylContact O-C 3.58Å; Y47-V62 VanDerWaalsContact O-CA 3.26Å; Y47-V62 WeakPolarHBondContact O-CA 3.25Å; Y47-M63 PolarHBondContact N-O 3.31Å; Y47-M63 PolarHBondContact O-N 2.8Å; Y47-I65 HydrophobicContact CD2-CB 4.37Å; Y47-I65 HydrophobicContact CD2-CD1 3.75Å; Y47-I65 HydrophobicContact CD2-CG1 3.84Å; Y47-I65 HydrophobicContact CE2-CB 4.09Å; Y47-I65 HydrophobicContact CE2-CD1 3.63Å; Y47-I65 HydrophobicContact CE2-CG1 3.93Å; Y47-I65 HydrophobicContact CG-CD1 4.48Å; Y47-L99 HydrophobicContact CG-CD2 4.32Å; Y47-G101 VanDerWaalsContact CA-O 3.31Å; Y47-G101 WeakPolarHBondContact CA-O 3.29Å; Y47-G101 WeakPolarHBondContact CD1-O 3.28Å; Y47-Y102 HydrophobicContact CD1-CD2 4.17Å; Y47-Y102 HydrophobicContact CD2-CD2 4.44Å; Y47-Y102 AromaticContact CE1-CD2 3.7Å; Y47-Y102 HydrophobicContact CE1-CD2 3.7Å; Y47-Y102 HydrophobicContact CE1-CG 4.37Å; Y47-Y102 AromaticContact CE2-CD2 4Å; Y47-Y102 HydrophobicContact CE2-CD2 4Å; Y47-Y102 HydrophobicContact CE2-CE2 4.37Å; Y47-Y102 AromaticContact CZ-CD2 3.62Å
48Y98.9Very high96.6Very high14 Ų1433 Ų336%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-130.8158.7171.866.1-88.8000111M61 V100 G101 I103 A126 K129 L130 H135Y48-M61 WeakPolarHBondContact CA-O 3.36Å; Y48-V100 HydrophobicContact CD2-CB 4.3Å; Y48-V100 HydrophobicContact CE2-CB 4.04Å; Y48-V100 HydrophobicContact CE2-CG1 3.99Å; Y48-V100 PolarHBondContact O-N 3Å; Y48-G101 WeakPolarHBondContact CD1-O 3.18Å; Y48-G101 VanDerWaalsContact CE1-CA 3.44Å; Y48-G101 PolarHBondContact N-O 3.43Å; Y48-G101 PolarHBondContact O-N 3.28Å; Y48-I103 HydrophobicContact CD1-CD1 4.21Å; Y48-I103 HydrophobicContact CD1-CG1 3.65Å; Y48-I103 HydrophobicContact CE1-CG1 4.43Å; Y48-A126 HydrophobicContact CG-CB 4.3Å; Y48-K129 HydrophobicContact CD1-CD 4.23Å; Y48-K129 HydrophobicContact CD2-CB 4.36Å; Y48-K129 HydrophobicContact CE1-CB 4.27Å; Y48-K129 HydrophobicContact CE1-CD 3.48Å; Y48-K129 VanDerWaalsContact CE1-CD 3.48Å; Y48-K129 HydrophobicContact CE2-CB 3.78Å; Y48-K129 HydrophobicContact CE2-CD 4.5Å; Y48-L130 HydrophobicContact CD2-CD1 4.27Å; Y48-L130 HydrophobicContact CD2-CD2 3.68Å; Y48-L130 HydrophobicContact CD2-CG 3.7Å; Y48-L130 HydrophobicContact CE2-CD2 4.02Å; Y48-L130 HydrophobicContact CE2-CG 4.22Å; Y48-H135 PolarHBondContact OH-CE1 3.43Å; Y48-H135 VanDerWaalsContact OH-CE1 3.26Å
49G98.8Very high96.8Very high0 Ų034.3 Ų34.30%022%0.216CC..EExtended strand (participates in β ladder)trans176.8-158-177.400000114.6M61 V98 L130G49-M61 PolarHBondContact N-O 3.03Å; G49-M61 PolarHBondContact N-SD 3.21Å; G49-M61 PolarHBondContact O-N 2.91Å; G49-V98 CarbonylContact C-O 3.51Å; G49-V98 WeakPolarHBondContact CA-O 3.24Å; G49-L130 WeakPolarHBondContact O-CD1 3.13Å
50W98.9Very high96.9Very high6 Ų634.5 Ų34.52%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-111.5144.9178.3-63107.8000110.4V58 Y59 K60 V97 V98 L130 H135 K139 F144W50-V58 HydrophobicContact CB-CG1 3.83Å; W50-V58 HydrophobicContact CD2-CG1 4.4Å; W50-V58 HydrophobicContact CE3-CG1 4.03Å; W50-V58 HydrophobicContact CG-CG1 4.36Å; W50-Y59 CarbonylContact C-O 3.54Å; W50-Y59 WeakPolarHBondContact CA-O 3.44Å; W50-K60 HydrophobicContact CE3-CG 4.09Å; W50-K60 HydrophobicContact CH2-CG 3.78Å; W50-K60 HydrophobicContact CZ3-CB 4.4Å; W50-K60 HydrophobicContact CZ3-CG 3.43Å; W50-K60 VanDerWaalsContact CZ3-CG 3.43Å; W50-V97 CarbonylContact O-C 3.44Å; W50-V97 VanDerWaalsContact O-CA 3.25Å; W50-V97 WeakPolarHBondContact O-CA 3.13Å; W50-V98 PolarHBondContact N-O 3.06Å; W50-V98 PolarHBondContact O-N 2.98Å; W50-L130 HydrophobicContact CD2-CD2 4.42Å; W50-L130 HydrophobicContact CH2-CB 4.28Å; W50-L130 HydrophobicContact CZ2-CB 3.89Å; W50-L130 HydrophobicContact CZ2-CD2 4.08Å; W50-L130 HydrophobicContact CZ2-CG 4.44Å; W50-H135 PolarHBondContact NE1-O 3.05Å; W50-K139 HydrophobicContact CD2-CB 3.92Å; W50-K139 HydrophobicContact CD2-CG 4.21Å; W50-K139 HydrophobicContact CE3-CB 4.09Å; W50-K139 HydrophobicContact CE3-CD 4.34Å; W50-K139 HydrophobicContact CE3-CG 3.88Å; W50-K139 HydrophobicContact CH2-CB 4.14Å; W50-K139 HydrophobicContact CH2-CD 3.97Å; W50-K139 HydrophobicContact CH2-CG 4.22Å; W50-K139 HydrophobicContact CZ2-CB 3.97Å; W50-K139 HydrophobicContact CZ3-CB 4.18Å; W50-K139 HydrophobicContact CZ3-CD 3.8Å; W50-K139 HydrophobicContact CZ3-CG 3.86Å; W50-F144 HydrophobicContact CB-CE2 3.8Å; W50-F144 HydrophobicContact CB-CZ 3.57Å
51A98.6Very high97.2Very high0 Ų029.7 Ų29.70%017%0.174CC..EExtended strand (participates in β ladder)trans-133.7141.817800000111.1V58 Y59 M61 V82 L95 S96 V97A51-V58 CarbonylContact O-C 3.51Å; A51-V58 WeakPolarHBondContact O-CA 3.13Å; A51-Y59 PolarHBondContact N-O 3.04Å; A51-Y59 PolarHBondContact O-N 3.04Å; A51-M61 HydrophobicContact CB-CB 3.92Å; A51-M61 HydrophobicContact CB-CG 3.73Å; A51-V82 HydrophobicContact CB-CG1 4.3Å; A51-V82 HydrophobicContact CB-CG2 3.84Å; A51-L95 HydrophobicContact CB-CD1 3.98Å; A51-S96 CarbonylContact C-O 3.52Å; A51-S96 VanDerWaalsContact CA-O 3.28Å; A51-S96 WeakPolarHBondContact CA-O 3.48Å; A51-V97 HydrophobicContact CB-CG1 4.1Å
52C98.4Very high97.4Very high2 Ų227.1 Ų27.11%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-130.9136.8170.5177.80000109.3G56 V58 S96 F144C52-G56 PolarHBondContact SG-O 3.35Å; C52-V58 HydrophobicContact CB-CG2 4.24Å; C52-S96 PolarHBondContact N-O 3.23Å; C52-S96 PolarHBondContact O-N 2.98Å; C52-F144 HydrophobicContact CB-CD1 3.43Å; C52-F144 VanDerWaalsContact CB-CD1 3.43Å; C52-F144 HydrophobicContact CB-CE1 3.85Å; C52-F144 HydrophobicContact CB-CG 4.31Å
53I97.4Very high97.5Very high14 Ų1427.1 Ų27.17%0.07216%0.16CC..EExtended strand (participates in β ladder)trans-105.7120.5176.9-61.673.4000107.7N55 G56 Y59 V82 F86 F90 Q93 L95I53-N55 PolarHBondContact O-N 2.88Å; I53-G56 PolarHBondContact O-N 2.8Å; I53-Y59 HydrophobicContact CD1-CD2 4.34Å; I53-V82 HydrophobicContact CD1-CG1 4.27Å; I53-V82 HydrophobicContact CD1-CG2 4.22Å; I53-F86 HydrophobicContact CD1-CE1 4.08Å; I53-F86 HydrophobicContact CD1-CE2 4.43Å; I53-F86 HydrophobicContact CD1-CZ 3.58Å; I53-F86 HydrophobicContact CG1-CE1 4.46Å; I53-F86 HydrophobicContact CG1-CZ 4.31Å; I53-F90 HydrophobicContact CG1-CD2 4.13Å; I53-F90 HydrophobicContact CG1-CE2 4.23Å; I53-F90 HydrophobicContact CG1-CG 4.35Å; I53-F90 HydrophobicContact CG2-CB 3.96Å; I53-F90 HydrophobicContact CG2-CD2 4.23Å; I53-F90 HydrophobicContact CG2-CG 4.14Å; I53-Q93 HydrophobicContact CG2-CB 3.86Å; I53-Q93 HydrophobicContact CG2-CG 4.45Å; I53-L95 HydrophobicContact CD1-CD1 4.17Å; I53-L95 HydrophobicContact CG1-CD1 4.17Å
54G94.6Very high97.6Very high22 Ų2226.7 Ų26.723%0.22716%0.157CC..THydrogen-bonded Turntrans57.8-121.5-175.100000111.3T94G54-T94 PolarHBondContact N-O 2.81Å
55N91.3Very high97.6Very high142 Ų14225.2 Ų25.276%0.75915%0.148SC*.THydrogen-bonded Turntrans-111.126.5174.6-58.2-32.4000111.5I53I53-N55 PolarHBondContact O-N 2.88Å
56G93.9Very high97.4Very high44 Ų4425.4 Ų25.445%0.45415%0.15SC..SBendtrans-80.5-165.2-178.200000113.8C52 I53C52-G56 PolarHBondContact SG-O 3.35Å; I53-G56 PolarHBondContact O-N 2.8Å
57D97.1Very high97.1Very high110 Ų11030.2 Ų30.259%0.58817%0.167SC*.  trans-70.9157.1175.5-55.6-45.1000111.8Y59D57-Y59 HydrophobicContact CB-CE1 3.96Å; D57-Y59 HydrophobicContact CB-CE2 4.12Å; D57-Y59 WeakPolarHBondContact O-CD2 3.39Å; D57-Y59 WeakPolarHBondContact O-CE2 3.32Å; D57-Y59 PolarHBondContact OD2-OH 3.18Å
58V98.4Very high96.4Very high23 Ų2330.7 Ų30.714%0.13917%0.169CC..EExtended strand (participates in β ladder)trans-90.4122.4173.7-172.80000110W50 A51 C52 K139 F144W50-V58 HydrophobicContact CB-CG1 3.83Å; W50-V58 HydrophobicContact CD2-CG1 4.4Å; W50-V58 HydrophobicContact CE3-CG1 4.03Å; W50-V58 HydrophobicContact CG-CG1 4.36Å; A51-V58 CarbonylContact O-C 3.51Å; A51-V58 WeakPolarHBondContact O-CA 3.13Å; C52-V58 HydrophobicContact CB-CG2 4.24Å; V58-K139 HydrophobicContact CB-CG 3.92Å; V58-K139 HydrophobicContact CG1-CG 3.84Å; V58-K139 WeakPolarHBondContact O-CE 3.37Å; V58-F144 HydrophobicContact CG1-CD2 3.96Å; V58-F144 HydrophobicContact CG1-CE1 4.36Å; V58-F144 HydrophobicContact CG1-CE2 3.73Å; V58-F144 HydrophobicContact CG1-CG 4.36Å; V58-F144 HydrophobicContact CG1-CZ 3.92Å; V58-F144 HydrophobicContact CG2-CB 3.73Å; V58-F144 HydrophobicContact CG2-CD1 4.17Å; V58-F144 HydrophobicContact CG2-CD2 3.81Å; V58-F144 HydrophobicContact CG2-CE2 4.42Å; V58-F144 HydrophobicContact CG2-CG 3.64Å
59Y98.7Very high95.6Very high48 Ų4833.2 Ų33.219%0.18819%0.187CC..EExtended strand (participates in β ladder)trans-114156.8-179.2-55.2-70.7000111.5W50 A51 I53 D57 V82 H84 F86W50-Y59 CarbonylContact C-O 3.54Å; W50-Y59 WeakPolarHBondContact CA-O 3.44Å; A51-Y59 PolarHBondContact N-O 3.04Å; A51-Y59 PolarHBondContact O-N 3.04Å; I53-Y59 HydrophobicContact CD1-CD2 4.34Å; D57-Y59 HydrophobicContact CB-CE1 3.96Å; D57-Y59 HydrophobicContact CB-CE2 4.12Å; D57-Y59 WeakPolarHBondContact O-CD2 3.39Å; D57-Y59 WeakPolarHBondContact O-CE2 3.32Å; D57-Y59 PolarHBondContact OD2-OH 3.18Å; Y59-V82 HydrophobicContact CD2-CG1 4.07Å; Y59-V82 HydrophobicContact CG-CG1 4.16Å; Y59-H84 HydrophobicContact CD1-CB 3.82Å; Y59-H84 AromaticContact CD1-CG 3.79Å; Y59-H84 AromaticContact CD1-ND1 3.82Å; Y59-H84 HydrophobicContact CD2-CB 4.32Å; Y59-H84 HydrophobicContact CE1-CB 4.2Å; Y59-H84 AromaticContact CE1-CE1 3.81Å; Y59-H84 AromaticContact CE1-CG 3.66Å; Y59-H84 AromaticContact CE1-ND1 3.48Å; Y59-H84 WeakPolarHBondContact CE1-ND1 3.43Å; Y59-H84 HydrophobicContact CG-CB 3.89Å; Y59-H84 AromaticContact CZ-CD2 3.91Å; Y59-H84 AromaticContact CZ-CG 3.94Å; Y59-F86 HydrophobicContact CD2-CE1 4.47Å; Y59-F86 AromaticContact CD2-CZ 3.9Å; Y59-F86 HydrophobicContact CD2-CZ 3.9Å; Y59-F86 AromaticContact CE2-CE1 3.94Å; Y59-F86 HydrophobicContact CE2-CE1 3.94Å; Y59-F86 AromaticContact CE2-CZ 3.82Å; Y59-F86 HydrophobicContact CE2-CZ 3.82Å
60K98.8Very high94.6Very high37 Ų3739.8 Ų39.816%0.16121%0.213CC..EExtended strand (participates in β ladder)trans-67.1150.6168.5-60.6-175.4-178.5177.20109.8W50 I83 K127 L130 E131W50-K60 HydrophobicContact CE3-CG 4.09Å; W50-K60 HydrophobicContact CH2-CG 3.78Å; W50-K60 HydrophobicContact CZ3-CB 4.4Å; W50-K60 HydrophobicContact CZ3-CG 3.43Å; W50-K60 VanDerWaalsContact CZ3-CG 3.43Å; K60-I83 HydrophobicContact CB-CB 4.32Å; K60-I83 HydrophobicContact CB-CD1 3.93Å; K60-I83 WeakPolarHBondContact O-CB 3.15Å; K60-I83 PolarHBondContact O-N 3.12Å; K60-K127 HydrophobicContact CD-CG 4.25Å; K60-K127 PolarHBondContact NZ-O 3.16Å; K60-L130 HydrophobicContact CB-CD1 3.7Å; K60-L130 HydrophobicContact CD-CB 4.13Å; K60-L130 HydrophobicContact CD-CD1 3.96Å; K60-L130 HydrophobicContact CG-CB 4.4Å; K60-L130 HydrophobicContact CG-CD1 3.7Å; K60-E131 WeakPolarHBondContact CE-OE1 3.42Å; K60-E131 IonicContact NZ-OE1 2.6Å; K60-E131 PolarHBondContact NZ-OE1 3.16Å
61M98.8Very high93.6Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-144.5161.3174.563.771.8163.800112.3Y48 G49 A51 M63 T80 H81 V97 L99Y48-M61 WeakPolarHBondContact CA-O 3.36Å; G49-M61 PolarHBondContact N-O 3.03Å; G49-M61 PolarHBondContact N-SD 3.21Å; G49-M61 PolarHBondContact O-N 2.91Å; A51-M61 HydrophobicContact CB-CB 3.92Å; A51-M61 HydrophobicContact CB-CG 3.73Å; M61-M63 HydrophobicContact CE-CE 4.46Å; M61-M63 HydrophobicContact SD-CB 4.26Å; M61-T80 HydrophobicContact CB-CG2 3.83Å; M61-T80 HydrophobicContact CG-CG2 3.97Å; M61-T80 HydrophobicContact SD-CG2 4.24Å; M61-H81 VanDerWaalsContact CA-O 3.29Å; M61-H81 WeakPolarHBondContact CA-O 3.2Å; M61-H81 WeakPolarHBondContact CB-O 3.4Å; M61-V97 HydrophobicContact CE-CB 3.83Å; M61-V97 HydrophobicContact CE-CG1 4.1Å; M61-L99 HydrophobicContact CE-CD2 3.68Å; M61-L99 HydrophobicContact CE-CG 4.46Å
62V98.8Very high92.9Very high9 Ų953 Ų536%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-115.8150.9158.3-67.30000109.4Y47 T80 H81 I83 I103 I123 A126Y47-V62 CarbonylContact O-C 3.58Å; Y47-V62 VanDerWaalsContact O-CA 3.26Å; Y47-V62 WeakPolarHBondContact O-CA 3.25Å; V62-T80 WeakPolarHBondContact O-CA 3.39Å; V62-H81 HydrophobicContact CG2-CB 3.89Å; V62-H81 PolarHBondContact N-O 2.84Å; V62-H81 PolarHBondContact O-N 2.82Å; V62-I83 HydrophobicContact CG1-CD1 4.5Å; V62-I103 HydrophobicContact CG1-CD1 4.36Å; V62-I123 HydrophobicContact CG1-CG1 4.42Å; V62-I123 HydrophobicContact CG2-CG1 4Å; V62-A126 HydrophobicContact CG1-CB 3.48Å; V62-A126 VanDerWaalsContact CG1-CB 3.48Å
63M98.5Very high92.1Very high1 Ų157.2 Ų57.21%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-132.7130.9177.8-179.4-173.8-73.600110.7F30 I46 Y47 M61 I65 M78 E79 T80 V97 L99F30-M63 HydrophobicContact CD2-CE 4.39Å; F30-M63 HydrophobicContact CE2-CE 3.86Å; I46-M63 CarbonylContact C-O 3.59Å; I46-M63 WeakPolarHBondContact CA-O 3.39Å; Y47-M63 PolarHBondContact N-O 3.31Å; Y47-M63 PolarHBondContact O-N 2.8Å; M61-M63 HydrophobicContact CE-CE 4.46Å; M61-M63 HydrophobicContact SD-CB 4.26Å; M63-I65 HydrophobicContact CG-CG1 4.14Å; M63-I65 HydrophobicContact SD-CD1 4.08Å; M63-I65 HydrophobicContact SD-CG1 3.88Å; M63-M78 HydrophobicContact CE-CE 3.46Å; M63-M78 VanDerWaalsContact CE-CE 3.46Å; M63-M78 HydrophobicContact SD-CB 4.07Å; M63-M78 HydrophobicContact SD-CE 3.39Å; M63-M78 WeakPolarHBondContact SD-CE 3.26Å; M63-M78 HydrophobicContact SD-CG 4.16Å; M63-E79 CarbonylContact C-O 3.56Å; M63-E79 VanDerWaalsContact CA-O 3.28Å; M63-E79 WeakPolarHBondContact CA-O 3.34Å; M63-T80 WeakPolarHBondContact CE-OG1 3.41Å; M63-V97 HydrophobicContact CE-CB 4.49Å; M63-V97 HydrophobicContact CE-CG1 4.47Å; M63-V97 HydrophobicContact CE-CG2 3.94Å; M63-L99 HydrophobicContact CB-CD2 3.88Å; M63-L99 HydrophobicContact CE-CD2 3.91Å; M63-L99 HydrophobicContact CE-CG 4.47Å; M63-L99 HydrophobicContact CG-CD2 4.33Å; M63-L99 HydrophobicContact SD-CD1 3.99Å; M63-L99 HydrophobicContact SD-CD2 3.54Å; M63-L99 VanDerWaalsContact SD-CD2 3.54Å; M63-L99 HydrophobicContact SD-CG 4.21Å
64S97.3Very high91.5Very high40 Ų4061.7 Ų61.728%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-91.3126.5165.1-176.10000109.4M78 E79S64-M78 WeakPolarHBondContact O-CA 3.31Å; S64-E79 PolarHBondContact N-O 3.01Å; S64-E79 PolarHBondContact O-N 3.25Å
65I97.3Very high91.3Very high0 Ų063.3 Ų63.30%032%0.32CS..EExtended strand (participates in β ladder)trans-111.2117.4167.7-55.8-175.4000107.1L38 I42 T44 G45 Y47 M63 K76 S77 M78 L99L38-I65 HydrophobicContact CD1-CD1 4.29Å; L38-I65 HydrophobicContact CD1-CG2 4.07Å; L38-I65 HydrophobicContact CD2-CD1 4.48Å; I42-I65 HydrophobicContact CG2-CD1 3.56Å; T44-I65 CarbonylContact C-O 3.58Å; T44-I65 WeakPolarHBondContact CA-O 3.32Å; T44-I65 WeakPolarHBondContact CB-O 3.49Å; G45-I65 PolarHBondContact N-O 2.79Å; G45-I65 PolarHBondContact O-N 2.97Å; Y47-I65 HydrophobicContact CD2-CB 4.37Å; Y47-I65 HydrophobicContact CD2-CD1 3.75Å; Y47-I65 HydrophobicContact CD2-CG1 3.84Å; Y47-I65 HydrophobicContact CE2-CB 4.09Å; Y47-I65 HydrophobicContact CE2-CD1 3.63Å; Y47-I65 HydrophobicContact CE2-CG1 3.93Å; Y47-I65 HydrophobicContact CG-CD1 4.48Å; M63-I65 HydrophobicContact CG-CG1 4.14Å; M63-I65 HydrophobicContact SD-CD1 4.08Å; M63-I65 HydrophobicContact SD-CG1 3.88Å; I65-K76 HydrophobicContact CG2-CD 4.11Å; I65-S77 VanDerWaalsContact CA-O 3.31Å; I65-S77 WeakPolarHBondContact CA-O 3.42Å; I65-M78 HydrophobicContact CG1-CG 4.21Å; I65-L99 HydrophobicContact CD1-CD1 4.06Å
66G94.4Very high91.4Very high3 Ų358.3 Ų58.33%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-138.9179.9-175.900000112.3K76 S77 E106G66-K76 CarbonylContact O-C 3.56Å; G66-K76 WeakPolarHBondContact O-CA 3.48Å; G66-S77 PolarHBondContact N-O 3.13Å; G66-S77 VanDerWaalsContact N-O 3.12Å; G66-S77 PolarHBondContact O-N 3.36Å; G66-E106 VanDerWaalsContact CA-OE1 3.27Å; G66-E106 WeakPolarHBondContact CA-OE1 3.31Å
67W91.4Very high91.4Very high119 Ų11957.3 Ų57.345%0.45128%0.278SS..EExtended strand (participates in β ladder)trans-90137.3171-67.4102.9000110.9T44 P69 N73 K76T44-W67 HydrophobicContact CG2-CG 4.41Å; W67-P69 VanDerWaalsContact O-CD 3.25Å; W67-P69 WeakPolarHBondContact O-CD 3.48Å; W67-N73 HydrophobicContact CB-CB 3.97Å; W67-K76 HydrophobicContact CD2-CG 4.43Å; W67-K76 HydrophobicContact CE3-CG 4.09Å; W67-K76 HydrophobicContact CH2-CG 4.23Å; W67-K76 HydrophobicContact CZ3-CG 3.99Å
68N84.4Confident91.4Very high11 Ų1152.2 Ų52.26%0.05925%0.25CS..  trans-84.7113.3179.2-173-23.6000111.1F16 Y70 Y71 N73 K75F16-N68 WeakPolarHBondContact CE2-ND2 3.47Å; N68-Y70 VanDerWaalsContact C-N 3.27Å; N68-Y70 PolarHBondContact O-N 3.37Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.31Å; N68-Y70 VanDerWaalsContact OD1-CD2 3.28Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.35Å; N68-Y70 PolarHBondContact OD1-N 3.45Å; N68-Y71 HydrophobicContact CB-CD2 4.04Å; N68-Y71 VanDerWaalsContact ND2-CD2 3.31Å; N68-Y71 WeakPolarHBondContact ND2-CD2 3.11Å; N68-Y71 WeakPolarHBondContact ND2-CE2 3.47Å; N68-Y71 PolarHBondContact O-N 3Å; N68-N73 WeakPolarHBondContact O-CA 3.14Å; N68-N73 PolarHBondContact O-N 2.91Å; N68-K75 PolarHBondContact N-O 3.26Å
69P80.8Confident91.3Very high66 Ų6653.2 Ų53.243%0.42925%0.253SS..G310 helixtrans-65.5-27.1-178.6-22.436.4000114W67 Y71 K72 N73W67-P69 VanDerWaalsContact O-CD 3.25Å; W67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-Y71 PolarHBondContact O-N 2.9Å; P69-K72 PolarHBondContact O-N 3.31Å; P69-K72 VanDerWaalsContact O-N 3.12Å; P69-N73 VanDerWaalsContact CA-OD1 3.25Å; P69-N73 WeakPolarHBondContact CA-OD1 3.37Å
70Y78.3Confident91.3Very high138 Ų13850.9 Ų50.954%0.54124%0.244SC..G310 helixtrans-68.9-24.6179.5-60.4-76.5000112.4F16 N68F16-Y70 HydrophobicContact CB-CD2 4.25Å; F16-Y70 HydrophobicContact CB-CE2 3.45Å; F16-Y70 VanDerWaalsContact CB-CE2 3.45Å; F16-Y70 AromaticContact CD1-CD2 3.81Å; F16-Y70 HydrophobicContact CD1-CD2 3.81Å; F16-Y70 AromaticContact CD1-CE2 3.76Å; F16-Y70 HydrophobicContact CD1-CE2 3.76Å; F16-Y70 HydrophobicContact CD1-CG 4.28Å; F16-Y70 AromaticContact CD2-CD2 3.67Å; F16-Y70 HydrophobicContact CD2-CD2 3.67Å; F16-Y70 AromaticContact CD2-CE2 3.71Å; F16-Y70 HydrophobicContact CD2-CE2 3.71Å; F16-Y70 HydrophobicContact CE1-CD2 4.03Å; F16-Y70 HydrophobicContact CE1-CE2 4.44Å; F16-Y70 HydrophobicContact CE1-CG 4.24Å; F16-Y70 AromaticContact CE2-CD2 3.91Å; F16-Y70 HydrophobicContact CE2-CD2 3.91Å; F16-Y70 HydrophobicContact CE2-CE2 4.41Å; F16-Y70 AromaticContact CG-CD2 3.62Å; F16-Y70 HydrophobicContact CG-CD2 3.62Å; F16-Y70 AromaticContact CG-CE2 3.34Å; F16-Y70 HydrophobicContact CG-CE2 3.34Å; F16-Y70 HydrophobicContact CZ-CD2 4.08Å; F16-Y70 HydrophobicContact CZ-CG 4.46Å; N68-Y70 VanDerWaalsContact C-N 3.27Å; N68-Y70 PolarHBondContact O-N 3.37Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.31Å; N68-Y70 VanDerWaalsContact OD1-CD2 3.28Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.35Å; N68-Y70 PolarHBondContact OD1-N 3.45Å
71Y77.9Confident91.2Very high98 Ų9850.2 Ų50.238%0.38424%0.242SC..G310 helixtrans-99.532.4172.3-64.4-70.9000112N68 P69 N73 T74 K75N68-Y71 HydrophobicContact CB-CD2 4.04Å; N68-Y71 VanDerWaalsContact ND2-CD2 3.31Å; N68-Y71 WeakPolarHBondContact ND2-CD2 3.11Å; N68-Y71 WeakPolarHBondContact ND2-CE2 3.47Å; N68-Y71 PolarHBondContact O-N 3Å; P69-Y71 PolarHBondContact O-N 2.9Å; Y71-N73 PolarHBondContact O-N 2.8Å; Y71-T74 PolarHBondContact O-N 2.79Å; Y71-T74 PolarHBondContact O-OG1 2.86Å; Y71-K75 HydrophobicContact CD1-CD 4.42Å; Y71-K75 HydrophobicContact CD2-CB 4.27Å; Y71-K75 HydrophobicContact CD2-CD 4.17Å; Y71-K75 HydrophobicContact CE2-CD 4.46Å; Y71-K75 HydrophobicContact CG-CB 4.39Å; Y71-K75 HydrophobicContact CG-CD 4.14Å; Y71-K75 HydrophobicContact CG-CG 4.44Å
72K83.9Confident91.2Very high187 Ų18750.5 Ų50.581%0.81324%0.243SC*.THydrogen-bonded Turntrans52.331.8-179.4-55.3179.8-179.7178.70113P69 T74P69-K72 PolarHBondContact O-N 3.31Å; P69-K72 VanDerWaalsContact O-N 3.12Å; K72-T74 PolarHBondContact O-N 2.9Å
73N82.3Confident91.1Very high89 Ų8951.8 Ų51.848%0.47625%0.25SC..THydrogen-bonded Turntrans57.526.5-176.1-59-38.8000114.9W67 N68 P69 Y71W67-N73 HydrophobicContact CB-CB 3.97Å; N68-N73 WeakPolarHBondContact O-CA 3.14Å; N68-N73 PolarHBondContact O-N 2.91Å; P69-N73 VanDerWaalsContact CA-OD1 3.25Å; P69-N73 WeakPolarHBondContact CA-OD1 3.37Å; Y71-N73 PolarHBondContact O-N 2.8Å
74T85.1Confident91.1Very high108 Ų10855.8 Ų55.866%0.66327%0.268SS*.  trans-92.4-12.4175.467.60000113.2Y71 K72Y71-T74 PolarHBondContact O-N 2.79Å; Y71-T74 PolarHBondContact O-OG1 2.86Å; K72-T74 PolarHBondContact O-N 2.9Å
75K89.2Confident91Very high57 Ų5762.9 Ų62.925%0.24829%0.294CS..SBendtrans-120.5141.4178.1-72-165.7167.4-143.50110.8D32 D36 N68 Y71D32-K75 WeakPolarHBondContact OD2-CD 3.15Å; D32-K75 IonicContact OD2-NZ 3.88Å; D32-K75 PolarHBondContact OD2-NZ 2.77Å; D36-K75 IonicContact OD1-NZ 2.95Å; D36-K75 IonicContact OD2-NZ 3.73Å; D36-K75 PolarHBondContact OD2-NZ 3.05Å; N68-K75 PolarHBondContact N-O 3.26Å; Y71-K75 HydrophobicContact CD1-CD 4.42Å; Y71-K75 HydrophobicContact CD2-CB 4.27Å; Y71-K75 HydrophobicContact CD2-CD 4.17Å; Y71-K75 HydrophobicContact CE2-CD 4.46Å; Y71-K75 HydrophobicContact CG-CB 4.39Å; Y71-K75 HydrophobicContact CG-CD 4.14Å; Y71-K75 HydrophobicContact CG-CG 4.44Å
76K94.4Very high90.8Very high37 Ų3766 Ų6616%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-75.1164170.3-71.1178.6-177.3169.30110.5V35 L38 I42 I65 G66 W67V35-K76 HydrophobicContact CG1-CB 3.72Å; V35-K76 WeakPolarHBondContact CG1-O 3.33Å; L38-K76 HydrophobicContact CD1-CD 4.25Å; I42-K76 PolarHBondContact O-NZ 3.27Å; I65-K76 HydrophobicContact CG2-CD 4.11Å; G66-K76 CarbonylContact O-C 3.56Å; G66-K76 WeakPolarHBondContact O-CA 3.48Å; W67-K76 HydrophobicContact CD2-CG 4.43Å; W67-K76 HydrophobicContact CE3-CG 4.09Å; W67-K76 HydrophobicContact CH2-CG 4.23Å; W67-K76 HydrophobicContact CZ3-CG 3.99Å
77S94.5Very high90.7Very high23 Ų2376 Ų7616%0.16135%0.35CS..EExtended strand (participates in β ladder)trans-127.3153.9164.758.70000109.8I65 G66I65-S77 VanDerWaalsContact CA-O 3.31Å; I65-S77 WeakPolarHBondContact CA-O 3.42Å; G66-S77 PolarHBondContact N-O 3.13Å; G66-S77 VanDerWaalsContact N-O 3.12Å; G66-S77 PolarHBondContact O-N 3.36Å
78M96.6Very high90.8Very high2 Ų278 Ų781%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-125.8118.1173.3-67.3168.567.400109.3F30 V35 L38 M63 S64 I65F30-M78 HydrophobicContact CB-CB 4.47Å; F30-M78 HydrophobicContact CD2-CB 4Å; F30-M78 HydrophobicContact CD2-CE 4.01Å; F30-M78 HydrophobicContact CE2-CE 4.25Å; F30-M78 PolarHBondContact N-O 2.85Å; V35-M78 HydrophobicContact CB-SD 4.31Å; V35-M78 HydrophobicContact CG1-CG 4.09Å; V35-M78 HydrophobicContact CG1-SD 4.31Å; V35-M78 HydrophobicContact CG2-CB 4.13Å; V35-M78 HydrophobicContact CG2-CG 3.98Å; V35-M78 HydrophobicContact CG2-SD 3.94Å; L38-M78 HydrophobicContact CD1-CG 3.81Å; L38-M78 HydrophobicContact CD1-SD 3.61Å; L38-M78 HydrophobicContact CD2-CE 4.17Å; L38-M78 HydrophobicContact CD2-SD 3.83Å; L38-M78 HydrophobicContact CG-SD 3.72Å; M63-M78 HydrophobicContact CE-CE 3.46Å; M63-M78 VanDerWaalsContact CE-CE 3.46Å; M63-M78 HydrophobicContact SD-CB 4.07Å; M63-M78 HydrophobicContact SD-CE 3.39Å; M63-M78 WeakPolarHBondContact SD-CE 3.26Å; M63-M78 HydrophobicContact SD-CG 4.16Å; S64-M78 WeakPolarHBondContact O-CA 3.31Å; I65-M78 HydrophobicContact CG1-CG 4.21Å
79E96Very high91.2Very high44 Ų4481.7 Ų81.721%0.20638%0.384CS..EExtended strand (participates in β ladder)trans-120.9115-179-69.7-173.4-131.200109.9T27 A28 N29 M63 S64T27-E79 HydrophobicContact CG2-CB 4.39Å; T27-E79 PolarHBondContact OG1-OE2 2.96Å; A28-E79 CarbonylContact O-C 3.57Å; A28-E79 WeakPolarHBondContact O-CA 3.15Å; N29-E79 WeakPolarHBondContact OD1-CG 3.29Å; M63-E79 CarbonylContact C-O 3.56Å; M63-E79 VanDerWaalsContact CA-O 3.28Å; M63-E79 WeakPolarHBondContact CA-O 3.34Å; S64-E79 PolarHBondContact N-O 3.01Å; S64-E79 PolarHBondContact O-N 3.25Å
80T97.8Very high91.9Very high0 Ų080.1 Ų80.10%037%0.371CS..EExtended strand (participates in β ladder)trans-104.3123.9-175.8-52.70000110.7T27 A28 M61 V62 M63 V82 L95 V97T27-T80 CarbonylContact C-O 3.56Å; T27-T80 WeakPolarHBondContact CA-O 3.32Å; A28-T80 PolarHBondContact N-O 3.26Å; A28-T80 PolarHBondContact O-N 3.25Å; M61-T80 HydrophobicContact CB-CG2 3.83Å; M61-T80 HydrophobicContact CG-CG2 3.97Å; M61-T80 HydrophobicContact SD-CG2 4.24Å; V62-T80 WeakPolarHBondContact O-CA 3.39Å; M63-T80 WeakPolarHBondContact CE-OG1 3.41Å; T80-V82 HydrophobicContact CG2-CG2 4.15Å; T80-L95 HydrophobicContact CG2-CD2 4.29Å; T80-V97 HydrophobicContact CG2-CG1 4.34Å
81H97.7Very high92.7Very high23 Ų2377.9 Ų77.911%0.10636%0.362CS..EExtended strand (participates in β ladder)trans-98.7112.7163.2178.665.8000109.2I25 P26 T27 M61 V62I25-H81 HydrophobicContact CG2-CB 4.15Å; P26-H81 PolarHBondContact O-ND1 3.27Å; T27-H81 HydrophobicContact CG2-CB 4.2Å; M61-H81 VanDerWaalsContact CA-O 3.29Å; M61-H81 WeakPolarHBondContact CA-O 3.2Å; M61-H81 WeakPolarHBondContact CB-O 3.4Å; V62-H81 HydrophobicContact CG2-CB 3.89Å; V62-H81 PolarHBondContact N-O 2.84Å; V62-H81 PolarHBondContact O-N 2.82Å
82V98.2Very high93.6Very high6 Ų675.2 Ų75.24%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-81.7125.6174.4-175.70000108.4A51 I53 Y59 T80 H84 F86 L95A51-V82 HydrophobicContact CB-CG1 4.3Å; A51-V82 HydrophobicContact CB-CG2 3.84Å; I53-V82 HydrophobicContact CD1-CG1 4.27Å; I53-V82 HydrophobicContact CD1-CG2 4.22Å; Y59-V82 HydrophobicContact CD2-CG1 4.07Å; Y59-V82 HydrophobicContact CG-CG1 4.16Å; T80-V82 HydrophobicContact CG2-CG2 4.15Å; V82-H84 HydrophobicContact CG1-CB 4.28Å; V82-H84 PolarHBondContact O-N 2.72Å; V82-F86 HydrophobicContact CB-CE2 3.91Å; V82-F86 HydrophobicContact CB-CZ 4.44Å; V82-F86 HydrophobicContact CG1-CE2 3.76Å; V82-F86 HydrophobicContact CG1-CZ 3.89Å; V82-L95 HydrophobicContact CG2-CD1 4.32Å
83I98.1Very high94.2Very high36 Ų3670.7 Ų70.719%0.18535%0.346CS..SBendtrans-81.165.7-175.3-53.9165.7000108.7K60 V62 I123 A126 K127K60-I83 HydrophobicContact CB-CB 4.32Å; K60-I83 HydrophobicContact CB-CD1 3.93Å; K60-I83 WeakPolarHBondContact O-CB 3.15Å; K60-I83 PolarHBondContact O-N 3.12Å; V62-I83 HydrophobicContact CG1-CD1 4.5Å; I83-I123 HydrophobicContact CD1-CG2 4.05Å; I83-I123 HydrophobicContact CG1-CG2 4.23Å; I83-I123 HydrophobicContact CG2-CG2 4.21Å; I83-A126 HydrophobicContact CD1-CB 4.37Å; I83-K127 HydrophobicContact CD1-CG 4.4Å
84H97.3Very high95Very high84 Ų8469.6 Ų69.639%0.38934%0.343SS..SBendtrans-157.2145.8178.1-17774000109.8Y59 V82 F86Y59-H84 HydrophobicContact CD1-CB 3.82Å; Y59-H84 AromaticContact CD1-CG 3.79Å; Y59-H84 AromaticContact CD1-ND1 3.82Å; Y59-H84 HydrophobicContact CD2-CB 4.32Å; Y59-H84 HydrophobicContact CE1-CB 4.2Å; Y59-H84 AromaticContact CE1-CE1 3.81Å; Y59-H84 AromaticContact CE1-CG 3.66Å; Y59-H84 AromaticContact CE1-ND1 3.48Å; Y59-H84 WeakPolarHBondContact CE1-ND1 3.43Å; Y59-H84 HydrophobicContact CG-CB 3.89Å; Y59-H84 AromaticContact CZ-CD2 3.91Å; Y59-H84 AromaticContact CZ-CG 3.94Å; V82-H84 HydrophobicContact CG1-CB 4.28Å; V82-H84 PolarHBondContact O-N 2.72Å; H84-F86 HydrophobicContact CB-CE2 3.86Å; H84-F86 HydrophobicContact CB-CZ 4.05Å; H84-F86 AromaticContact CD2-CD1 3.85Å; H84-F86 AromaticContact CD2-CE1 3.67Å; H84-F86 AromaticContact CD2-CE2 3.85Å; H84-F86 AromaticContact CD2-CZ 3.66Å; H84-F86 WeakPolarHBondContact O-CD2 3.42Å; H84-F86 PolarHBondContact O-N 2.77Å
85K94.5Very high95.6Very high190 Ų19064.4 Ų64.483%0.82631%0.311SS*.  trans-92.299.1178.2-172.2174.3-178.1175.70110.3
86F93.8Very high96.1Very high64 Ų6462 Ų6228%0.28130%0.301SS..  trans-76.9147.7172.9-61.7-85.3000111.3I53 Y59 V82 H84 F90I53-F86 HydrophobicContact CD1-CE1 4.08Å; I53-F86 HydrophobicContact CD1-CE2 4.43Å; I53-F86 HydrophobicContact CD1-CZ 3.58Å; I53-F86 HydrophobicContact CG1-CE1 4.46Å; I53-F86 HydrophobicContact CG1-CZ 4.31Å; Y59-F86 HydrophobicContact CD2-CE1 4.47Å; Y59-F86 AromaticContact CD2-CZ 3.9Å; Y59-F86 HydrophobicContact CD2-CZ 3.9Å; Y59-F86 AromaticContact CE2-CE1 3.94Å; Y59-F86 HydrophobicContact CE2-CE1 3.94Å; Y59-F86 AromaticContact CE2-CZ 3.82Å; Y59-F86 HydrophobicContact CE2-CZ 3.82Å; V82-F86 HydrophobicContact CB-CE2 3.91Å; V82-F86 HydrophobicContact CB-CZ 4.44Å; V82-F86 HydrophobicContact CG1-CE2 3.76Å; V82-F86 HydrophobicContact CG1-CZ 3.89Å; H84-F86 HydrophobicContact CB-CE2 3.86Å; H84-F86 HydrophobicContact CB-CZ 4.05Å; H84-F86 AromaticContact CD2-CD1 3.85Å; H84-F86 AromaticContact CD2-CE1 3.67Å; H84-F86 AromaticContact CD2-CE2 3.85Å; H84-F86 AromaticContact CD2-CZ 3.66Å; H84-F86 WeakPolarHBondContact O-CD2 3.42Å; H84-F86 PolarHBondContact O-N 2.77Å; F86-F90 HydrophobicContact CB-CD1 4.46Å; F86-F90 HydrophobicContact CB-CE1 4.5Å; F86-F90 HydrophobicContact CD1-CD1 4.34Å; F86-F90 HydrophobicContact CD1-CE1 4.49Å; F86-F90 HydrophobicContact CD2-CD1 4.24Å; F86-F90 AromaticContact CD2-CE1 3.65Å; F86-F90 HydrophobicContact CD2-CE1 3.65Å; F86-F90 AromaticContact CE2-CE1 3.97Å; F86-F90 HydrophobicContact CE2-CE1 3.97Å; F86-F90 HydrophobicContact CG-CD1 4.07Å; F86-F90 AromaticContact CG-CE1 3.94Å; F86-F90 HydrophobicContact CG-CE1 3.94Å
87K92.5Very high96.3Very high214 Ų21460.2 Ų60.293%0.9329%0.293SS*.SBendtrans-77.1-30175.3-67.3-178.3-180177.60112.4
88E92.4Very high96.5Very high162 Ų16259.1 Ų59.176%0.75729%0.286SS*.SBendtrans-136157.8-173.3-63179.7-176.500110
89D93.3Very high96.6Very high87 Ų8759 Ų5947%0.46529%0.285SS..  trans-69.2148.5170.9-67.2-20.1000109.6K21 Y91K21-D89 IonicContact NZ-OD1 3.82Å; K21-D89 PolarHBondContact NZ-OD1 3.38Å; K21-D89 IonicContact NZ-OD2 2.68Å; K21-D89 PolarHBondContact NZ-OD2 2.64Å; D89-Y91 HydrophobicContact CB-CD2 3.79Å; D89-Y91 HydrophobicContact CB-CE2 3.89Å
90F95.7Very high96.7Very high33 Ų3357.5 Ų57.515%0.14528%0.279CS..  trans-118.933.8-176.649.4-96.2000112.6V12 A28 I53 F86 Q93V12-F90 HydrophobicContact CB-CD2 4.29Å; V12-F90 HydrophobicContact CG1-CD2 4.16Å; V12-F90 HydrophobicContact CG1-CE2 4.18Å; V12-F90 HydrophobicContact CG2-CD2 3.86Å; V12-F90 HydrophobicContact CG2-CE2 3.96Å; A28-F90 HydrophobicContact CB-CE2 3.78Å; A28-F90 HydrophobicContact CB-CZ 4.22Å; I53-F90 HydrophobicContact CG1-CD2 4.13Å; I53-F90 HydrophobicContact CG1-CE2 4.23Å; I53-F90 HydrophobicContact CG1-CG 4.35Å; I53-F90 HydrophobicContact CG2-CB 3.96Å; I53-F90 HydrophobicContact CG2-CD2 4.23Å; I53-F90 HydrophobicContact CG2-CG 4.14Å; F86-F90 HydrophobicContact CB-CD1 4.46Å; F86-F90 HydrophobicContact CB-CE1 4.5Å; F86-F90 HydrophobicContact CD1-CD1 4.34Å; F86-F90 HydrophobicContact CD1-CE1 4.49Å; F86-F90 HydrophobicContact CD2-CD1 4.24Å; F86-F90 AromaticContact CD2-CE1 3.65Å; F86-F90 HydrophobicContact CD2-CE1 3.65Å; F86-F90 AromaticContact CE2-CE1 3.97Å; F86-F90 HydrophobicContact CE2-CE1 3.97Å; F86-F90 HydrophobicContact CG-CD1 4.07Å; F86-F90 AromaticContact CG-CE1 3.94Å; F86-F90 HydrophobicContact CG-CE1 3.94Å; F90-Q93 HydrophobicContact CB-CB 4.37Å; F90-Q93 HydrophobicContact CB-CG 4.23Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 3.46Å
91Y95.9Very high96.7Very high91 Ų9157.9 Ų57.936%0.35728%0.283SS..THydrogen-bonded Turntrans-56.2141.9170.7-66.6-67.9000111V12 R14 D89 Q93V12-Y91 HydrophobicContact CG1-CD1 3.99Å; V12-Y91 HydrophobicContact CG1-CE1 4.4Å; R14-Y91 HydrophobicContact CB-CE1 4.2Å; R14-Y91 HydrophobicContact CG-CD1 3.71Å; R14-Y91 HydrophobicContact CG-CE1 3.54Å; R14-Y91 HydrophobicContact CG-CE2 4.46Å; R14-Y91 HydrophobicContact CG-CG 4.26Å; D89-Y91 HydrophobicContact CB-CD2 3.79Å; D89-Y91 HydrophobicContact CB-CE2 3.89Å; Y91-Q93 PolarHBondContact O-N 3.21Å
92G96.4Very high96.7Very high43 Ų4360.6 Ų60.644%0.44329%0.293SS..THydrogen-bonded Turntrans78.5-10.3-177.600000114.8E11 V12E11-G92 WeakPolarHBondContact OE1-CA 3.41Å; V12-G92 PolarHBondContact O-N 2.94Å
93Q97.5Very high96.7Very high91 Ų9161.3 Ų61.343%0.42530%0.296SS..SBendtrans-81.7150.6171.9-60.3-160.660.400110.8V12 I53 F90 Y91 L95V12-Q93 PolarHBondContact N-O 2.8Å; I53-Q93 HydrophobicContact CG2-CB 3.86Å; I53-Q93 HydrophobicContact CG2-CG 4.45Å; F90-Q93 HydrophobicContact CB-CB 4.37Å; F90-Q93 HydrophobicContact CB-CG 4.23Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 3.46Å; Y91-Q93 PolarHBondContact O-N 3.21Å; Q93-L95 PolarHBondContact O-N 3.49Å
94T97.9Very high96.7Very high66 Ų6661.2 Ų61.241%0.40529%0.294SS..EExtended strand (participates in β ladder)trans-71119.3171.7-57.90000109.9R9 G54R9-T94 HydrophobicContact CB-CG2 4.18Å; G54-T94 PolarHBondContact N-O 2.81Å
95L98.4Very high96.8Very high0 Ų060.1 Ų60.10%030%0.295CS..EExtended strand (participates in β ladder)trans-94.6120.5166175.764.8000108.6R9 G10 V12 A28 F30 A51 I53 T80 V82 Q93 V97R9-L95 WeakPolarHBondContact CA-O 3.38Å; G10-L95 PolarHBondContact N-O 3.09Å; G10-L95 PolarHBondContact O-N 2.83Å; V12-L95 HydrophobicContact CG2-CB 3.45Å; V12-L95 VanDerWaalsContact CG2-CB 3.45Å; V12-L95 HydrophobicContact CG2-CD2 4.17Å; V12-L95 HydrophobicContact CG2-CG 4.4Å; A28-L95 HydrophobicContact CB-CD2 3.96Å; F30-L95 HydrophobicContact CE1-CB 4.01Å; F30-L95 HydrophobicContact CE1-CD2 4.2Å; F30-L95 HydrophobicContact CE1-CG 4.18Å; F30-L95 WeakPolarHBondContact CE1-O 3.33Å; F30-L95 HydrophobicContact CE2-CD2 3.92Å; F30-L95 HydrophobicContact CE2-CG 4.46Å; F30-L95 HydrophobicContact CZ-CB 4.04Å; F30-L95 HydrophobicContact CZ-CD2 3.59Å; F30-L95 HydrophobicContact CZ-CG 3.68Å; A51-L95 HydrophobicContact CB-CD1 3.98Å; I53-L95 HydrophobicContact CD1-CD1 4.17Å; I53-L95 HydrophobicContact CG1-CD1 4.17Å; T80-L95 HydrophobicContact CG2-CD2 4.29Å; V82-L95 HydrophobicContact CG2-CD1 4.32Å; Q93-L95 PolarHBondContact O-N 3.49Å; L95-V97 HydrophobicContact CD1-CG1 4.11Å; L95-V97 HydrophobicContact CD2-CG1 4.24Å; L95-V97 HydrophobicContact CG-CG1 3.9Å
96S98.6Very high96.7Very high5 Ų555.1 Ų55.14%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-103131.4172.6-56.80000108.7R9 A51 C52R9-S96 VanDerWaalsContact CD-OG 3.27Å; R9-S96 WeakPolarHBondContact CD-OG 3.49Å; R9-S96 WeakPolarHBondContact CG-OG 3.24Å; R9-S96 PolarHBondContact NE-OG 2.75Å; A51-S96 CarbonylContact C-O 3.52Å; A51-S96 VanDerWaalsContact CA-O 3.28Å; A51-S96 WeakPolarHBondContact CA-O 3.48Å; C52-S96 PolarHBondContact N-O 3.23Å; C52-S96 PolarHBondContact O-N 2.98Å
97V98.6Very high96.7Very high0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-134.2149-179.3-64.10000112.7F7 C8 F30 W50 A51 M61 M63 T80 L95 F143F7-V97 WeakPolarHBondContact CA-O 3.45Å; C8-V97 PolarHBondContact N-O 3.47Å; C8-V97 PolarHBondContact O-N 3.02Å; C8-V97 WeakPolarHBondContact SG-CG2 3.35Å; F30-V97 HydrophobicContact CE2-CG1 4.26Å; F30-V97 HydrophobicContact CE2-CG2 3.94Å; F30-V97 HydrophobicContact CZ-CG1 4.05Å; F30-V97 HydrophobicContact CZ-CG2 3.85Å; W50-V97 CarbonylContact O-C 3.44Å; W50-V97 VanDerWaalsContact O-CA 3.25Å; W50-V97 WeakPolarHBondContact O-CA 3.13Å; A51-V97 HydrophobicContact CB-CG1 4.1Å; M61-V97 HydrophobicContact CE-CB 3.83Å; M61-V97 HydrophobicContact CE-CG1 4.1Å; M63-V97 HydrophobicContact CE-CB 4.49Å; M63-V97 HydrophobicContact CE-CG1 4.47Å; M63-V97 HydrophobicContact CE-CG2 3.94Å; T80-V97 HydrophobicContact CG2-CG1 4.34Å; L95-V97 HydrophobicContact CD1-CG1 4.11Å; L95-V97 HydrophobicContact CD2-CG1 4.24Å; L95-V97 HydrophobicContact CG-CG1 3.9Å; V97-F143 WeakPolarHBondContact O-CE1 3.35Å
98V98.6Very high96.6Very high0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-122.7106.5168.7-176.90000107.4P5 Y6 F7 G49 W50 V100 L138 F143 F144P5-V98 HydrophobicContact CB-CG1 3.98Å; Y6-V98 CarbonylContact O-C 3.49Å; Y6-V98 WeakPolarHBondContact O-CA 3.45Å; F7-V98 HydrophobicContact CD1-CB 4.27Å; F7-V98 HydrophobicContact CD1-CG1 4.05Å; F7-V98 HydrophobicContact CD1-CG2 3.34Å; F7-V98 HydrophobicContact CE1-CB 4.25Å; F7-V98 HydrophobicContact CE1-CG1 3.72Å; F7-V98 HydrophobicContact CE1-CG2 3.45Å; F7-V98 VanDerWaalsContact CE1-CG2 3.45Å; F7-V98 HydrophobicContact CE2-CG1 4.26Å; F7-V98 HydrophobicContact CG-CG1 4.45Å; F7-V98 HydrophobicContact CG-CG2 4.19Å; F7-V98 HydrophobicContact CZ-CG1 3.82Å; F7-V98 HydrophobicContact CZ-CG2 4.39Å; G49-V98 CarbonylContact C-O 3.51Å; G49-V98 WeakPolarHBondContact CA-O 3.24Å; W50-V98 PolarHBondContact N-O 3.06Å; W50-V98 PolarHBondContact O-N 2.98Å; V98-V100 HydrophobicContact CG1-CG2 4.2Å; V98-V100 PolarHBondContact O-N 2.6Å; V98-L138 HydrophobicContact CG1-CD1 4.45Å; V98-F143 HydrophobicContact CG2-CD1 3.63Å; V98-F143 HydrophobicContact CG2-CE1 3.95Å; V98-F144 HydrophobicContact CB-CZ 4.15Å; V98-F144 HydrophobicContact CG2-CE1 4.22Å; V98-F144 HydrophobicContact CG2-CE2 3.74Å; V98-F144 HydrophobicContact CG2-CZ 3.44Å; V98-F144 VanDerWaalsContact CG2-CZ 3.44Å
99L98.6Very high96.6Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-73.5121.1170-64.8171.6000108.1L4 P5 Y6 Y47 M61 M63 I65L4-L99 HydrophobicContact CD2-CB 3.8Å; P5-L99 CarbonylContact C-O 3.58Å; P5-L99 WeakPolarHBondContact CA-O 3.38Å; Y6-L99 HydrophobicContact CD1-CD1 4Å; Y6-L99 PolarHBondContact N-O 3.41Å; Y6-L99 PolarHBondContact O-N 2.9Å; Y47-L99 HydrophobicContact CG-CD2 4.32Å; M61-L99 HydrophobicContact CE-CD2 3.68Å; M61-L99 HydrophobicContact CE-CG 4.46Å; M63-L99 HydrophobicContact CB-CD2 3.88Å; M63-L99 HydrophobicContact CE-CD2 3.91Å; M63-L99 HydrophobicContact CE-CG 4.47Å; M63-L99 HydrophobicContact CG-CD2 4.33Å; M63-L99 HydrophobicContact SD-CD1 3.99Å; M63-L99 HydrophobicContact SD-CD2 3.54Å; M63-L99 VanDerWaalsContact SD-CD2 3.54Å; M63-L99 HydrophobicContact SD-CG 4.21Å; I65-L99 HydrophobicContact CD1-CD1 4.06Å
100V98.4Very high96.5Very high13 Ų1350.8 Ų50.88%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-102.7-43-173.4178.40000110.8Y48 V98 L130 H135 L138Y48-V100 HydrophobicContact CD2-CB 4.3Å; Y48-V100 HydrophobicContact CE2-CB 4.04Å; Y48-V100 HydrophobicContact CE2-CG1 3.99Å; Y48-V100 PolarHBondContact O-N 3Å; V98-V100 HydrophobicContact CG1-CG2 4.2Å; V98-V100 PolarHBondContact O-N 2.6Å; V100-L130 HydrophobicContact CB-CD2 4.34Å; V100-L130 HydrophobicContact CG2-CD2 4.17Å; V100-H135 HydrophobicContact CG1-CB 3.95Å; V100-H135 WeakPolarHBondContact CG1-CD2 3.43Å; V100-H135 VanDerWaalsContact CG1-CG 3.48Å; V100-L138 HydrophobicContact CB-CD1 4.43Å; V100-L138 HydrophobicContact CG1-CD1 4Å; V100-L138 HydrophobicContact CG2-CD1 3.69Å
101G98.1Very high96.4Very high7 Ų751.4 Ų51.47%0.07229%0.286CS..EExtended strand (participates in β ladder)trans-155.4171.8-176.700000113.6Y47 Y48Y47-G101 VanDerWaalsContact CA-O 3.31Å; Y47-G101 WeakPolarHBondContact CA-O 3.29Å; Y47-G101 WeakPolarHBondContact CD1-O 3.28Å; Y48-G101 WeakPolarHBondContact CD1-O 3.18Å; Y48-G101 VanDerWaalsContact CE1-CA 3.44Å; Y48-G101 PolarHBondContact N-O 3.43Å; Y48-G101 PolarHBondContact O-N 3.28Å
102Y98.4Very high96.1Very high80 Ų8051.8 Ų51.831%0.31429%0.294SS..EExtended strand (participates in β ladder)trans-106141.3-179.8177.8-99.5000110.3M1 Y47 R104 S105M1-Y102 HydrophobicContact CE-CD2 4.1Å; M1-Y102 HydrophobicContact CE-CG 4.32Å; Y47-Y102 HydrophobicContact CD1-CD2 4.17Å; Y47-Y102 HydrophobicContact CD2-CD2 4.44Å; Y47-Y102 AromaticContact CE1-CD2 3.7Å; Y47-Y102 HydrophobicContact CE1-CD2 3.7Å; Y47-Y102 HydrophobicContact CE1-CG 4.37Å; Y47-Y102 AromaticContact CE2-CD2 4Å; Y47-Y102 HydrophobicContact CE2-CD2 4Å; Y47-Y102 HydrophobicContact CE2-CE2 4.37Å; Y47-Y102 AromaticContact CZ-CD2 3.62Å; Y102-R104 WeakPolarHBondContact CE2-O 3.49Å; Y102-R104 VanDerWaalsContact CZ-O 3.29Å; Y102-R104 PolarHBondContact OH-O 3.39Å; Y102-S105 WeakPolarHBondContact OH-CA 3.28Å; Y102-S105 WeakPolarHBondContact OH-CB 3.49Å; Y102-S105 PolarHBondContact OH-N 3.06Å
103I98.4Very high95.9Very high22 Ų2257.3 Ų57.311%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-99.9-63.4176.6-57.5-172.2000109.4I46 Y48 V62 D122 A126I46-I103 HydrophobicContact CB-CB 4.31Å; I46-I103 HydrophobicContact CG2-CB 4.35Å; I46-I103 HydrophobicContact CG2-CD1 4.09Å; I46-I103 HydrophobicContact CG2-CG1 4.48Å; I46-I103 PolarHBondContact O-N 3.13Å; Y48-I103 HydrophobicContact CD1-CD1 4.21Å; Y48-I103 HydrophobicContact CD1-CG1 3.65Å; Y48-I103 HydrophobicContact CE1-CG1 4.43Å; V62-I103 HydrophobicContact CG1-CD1 4.36Å; I103-D122 HydrophobicContact CD1-CB 4.02Å; I103-D122 WeakPolarHBondContact CD1-O 3.31Å; I103-A126 HydrophobicContact CD1-CB 4.39Å
104R98.1Very high95.8Very high34 Ų3456.4 Ų56.413%0.12831%0.306CS..EExtended strand (participates in β ladder)trans-161.6165.8-170.562.9173.7-178.182-2.9112.2G45 I46 Y102 D122G45-R104 CarbonylContact C-O 3.36Å; G45-R104 WeakPolarHBondContact CA-O 3.41Å; I46-R104 HydrophobicContact CB-CG 4.13Å; I46-R104 HydrophobicContact CG1-CG 4.03Å; I46-R104 PolarHBondContact N-O 2.89Å; Y102-R104 WeakPolarHBondContact CE2-O 3.49Å; Y102-R104 VanDerWaalsContact CZ-O 3.29Å; Y102-R104 PolarHBondContact OH-O 3.39Å; R104-D122 WeakPolarHBondContact CD-OD1 3.46Å; R104-D122 IonicContact CZ-OD1 2.94Å; R104-D122 IonicContact CZ-OD2 2.69Å; R104-D122 VanDerWaalsContact CZ-OD2 3.28Å; R104-D122 IonicContact NE-OD1 2.79Å; R104-D122 PolarHBondContact NE-OD1 3.29Å; R104-D122 IonicContact NE-OD2 3.15Å; R104-D122 PolarHBondContact NE-OD2 2.92Å; R104-D122 VanDerWaalsContact NE-OD2 3.15Å; R104-D122 IonicContact NH2-OD1 3.28Å; R104-D122 IonicContact NH2-OD2 2.72Å; R104-D122 PolarHBondContact NH2-OD2 3.31Å
105S97.6Very high95.5Very high60 Ų6056 Ų5642%0.4230%0.301SS..  trans-71.6165.7173.263.10000111.4Y102Y102-S105 WeakPolarHBondContact OH-CA 3.28Å; Y102-S105 WeakPolarHBondContact OH-CB 3.49Å; Y102-S105 PolarHBondContact OH-N 3.06Å
106E94.3Very high95.3Very high86 Ų8658.2 Ų58.240%0.40231%0.313SS..  trans-55.5142.6165.2-64.9177.3102.300109.7T44 G66T44-E106 WeakPolarHBondContact CB-OE2 3.27Å; T44-E106 PolarHBondContact OG1-OE2 3.48Å; G66-E106 VanDerWaalsContact CA-OE1 3.27Å; G66-E106 WeakPolarHBondContact CA-OE1 3.31Å
107K93.1Very high95.1Very high125 Ų12560.8 Ų60.854%0.54333%0.334SS..  trans-136.3144178.9-69.6-177.5180179.40108.5F109K107-F109 HydrophobicContact CB-CE1 4.3Å; K107-F109 HydrophobicContact CB-CE2 4.04Å; K107-F109 HydrophobicContact CB-CZ 3.78Å; K107-F109 WeakPolarHBondContact O-CE2 3.42Å
108S90.8Very high95Very high126 Ų12661.7 Ų61.788%0.88134%0.341SS*.  trans-86.1142.6165.7-63.30000108.9
109F91.3Very high94.9Very high61 Ų6163.3 Ų63.327%0.26835%0.35SS..  trans-118.2135.3-179.5-63.5-78.9000109.5K107 S111 D114 L115 A118K107-F109 HydrophobicContact CB-CE1 4.3Å; K107-F109 HydrophobicContact CB-CE2 4.04Å; K107-F109 HydrophobicContact CB-CZ 3.78Å; K107-F109 WeakPolarHBondContact O-CE2 3.42Å; F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 2.81Å; F109-D114 HydrophobicContact CB-CB 4.15Å; F109-D114 HydrophobicContact CD1-CB 4.04Å; F109-L115 HydrophobicContact CB-CB 4.02Å; F109-L115 HydrophobicContact CD2-CB 3.99Å; F109-L115 HydrophobicContact CD2-CD1 3.51Å; F109-L115 HydrophobicContact CD2-CG 4.35Å; F109-L115 HydrophobicContact CE2-CD1 3.66Å; F109-L115 HydrophobicContact CG-CB 4.02Å; F109-L115 HydrophobicContact CG-CD1 4.37Å; F109-A118 HydrophobicContact CD1-CB 4.26Å; F109-A118 HydrophobicContact CE1-CB 3.28Å; F109-A118 HydrophobicContact CE2-CB 4.29Å; F109-A118 HydrophobicContact CZ-CB 3.29Å
110P91.4Very high94.8Very high123 Ų12367 Ų6780%0.79937%0.369SS*.SBendtrans-76.7-16.8-176.629.5-30.4000112.4D114P110-D114 VanDerWaalsContact CG-OD2 3.3Å; P110-D114 WeakPolarHBondContact CG-OD2 3.44Å
111S93.4Very high94.8Very high46 Ų4669.8 Ų69.832%0.32239%0.39SS..SBendtrans-140.7165.1175.377.20000112.2F109 E113 D114 L115F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 2.81Å; S111-E113 VanDerWaalsContact C-N 3.31Å; S111-E113 PolarHBondContact OG-N 2.94Å; S111-D114 WeakPolarHBondContact CB-OD2 3Å; S111-D114 PolarHBondContact N-OD2 2.95Å; S111-D114 PolarHBondContact OG-N 3.25Å; S111-D114 VanDerWaalsContact OG-N 3.07Å; S111-D114 PolarHBondContact OG-OD2 3.25Å; S111-L115 PolarHBondContact O-N 2.96Å
112L89.8Confident94.9Very high99 Ų9969.8 Ų69.852%0.51839%0.388SS..Hα-helixtrans-65.7-35.4172.2-178.960.2000111.9L23 L115 I116L23-L112 HydrophobicContact CD1-CD1 3.84Å; L23-L112 HydrophobicContact CD2-CD1 3.75Å; L23-L112 HydrophobicContact CD2-CD2 3.84Å; L23-L112 HydrophobicContact CD2-CG 4.18Å; L23-L112 HydrophobicContact CG-CD1 4.46Å; L112-L115 HydrophobicContact CD1-CD2 4.21Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 3.03Å; L112-I116 HydrophobicContact CD1-CD1 4.4Å; L112-I116 HydrophobicContact CD1-CG1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.02Å; L112-I116 WeakPolarHBondContact O-CG1 3.28Å; L112-I116 PolarHBondContact O-N 2.81Å
113E92.9Very high94.9Very high159 Ų15966.5 Ų66.574%0.74338%0.376SS*.Hα-helixtrans-63.6-43.1178-65.8179.4-179.200111.1S111 L115 I116 A117S111-E113 VanDerWaalsContact C-N 3.31Å; S111-E113 PolarHBondContact OG-N 2.94Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 3.36Å; E113-I116 PolarHBondContact O-N 2.72Å; E113-A117 WeakPolarHBondContact O-CB 3.37Å; E113-A117 PolarHBondContact O-N 2.87Å
114D94.6Very high94.9Very high73 Ų7370.2 Ų70.239%0.3939%0.392SS..Hα-helixtrans-63.9-37.9176.4-64.6-52.4000112.1F109 P110 S111 A118F109-D114 HydrophobicContact CB-CB 4.15Å; F109-D114 HydrophobicContact CD1-CB 4.04Å; P110-D114 VanDerWaalsContact CG-OD2 3.3Å; P110-D114 WeakPolarHBondContact CG-OD2 3.44Å; S111-D114 WeakPolarHBondContact CB-OD2 3Å; S111-D114 PolarHBondContact N-OD2 2.95Å; S111-D114 PolarHBondContact OG-N 3.25Å; S111-D114 VanDerWaalsContact OG-N 3.07Å; S111-D114 PolarHBondContact OG-OD2 3.25Å; D114-A118 WeakPolarHBondContact O-CB 3.47Å; D114-A118 PolarHBondContact O-N 2.62Å
115L92.6Very high94.9Very high57 Ų5771.8 Ų71.830%0.29840%0.401SS..Hα-helixtrans-62.6-49.8174.2172.362.9000110.8F109 S111 L112 E113 A117 A118 I119F109-L115 HydrophobicContact CB-CB 4.02Å; F109-L115 HydrophobicContact CD2-CB 3.99Å; F109-L115 HydrophobicContact CD2-CD1 3.51Å; F109-L115 HydrophobicContact CD2-CG 4.35Å; F109-L115 HydrophobicContact CE2-CD1 3.66Å; F109-L115 HydrophobicContact CG-CB 4.02Å; F109-L115 HydrophobicContact CG-CD1 4.37Å; S111-L115 PolarHBondContact O-N 2.96Å; L112-L115 HydrophobicContact CD1-CD2 4.21Å; L112-L115 WeakPolarHBondContact O-CB 3.16Å; L112-L115 PolarHBondContact O-N 3.03Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 3.36Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.21Å; L115-A118 PolarHBondContact O-N 3.07Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.15Å; L115-I119 HydrophobicContact CG-CD1 3.88Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.42Å; L115-I119 PolarHBondContact O-N 2.84Å
116I92.9Very high95Very high47 Ų4768.9 Ų68.924%0.24138%0.381CS..Hα-helixtrans-61-44.6179.1-68.6167.1000110.5L23 L112 E113 A118 I119 N120L23-I116 HydrophobicContact CD2-CD1 4.26Å; L112-I116 HydrophobicContact CD1-CD1 4.4Å; L112-I116 HydrophobicContact CD1-CG1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.02Å; L112-I116 WeakPolarHBondContact O-CG1 3.28Å; L112-I116 PolarHBondContact O-N 2.81Å; E113-I116 PolarHBondContact O-N 2.72Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 2.84Å; I116-I119 PolarHBondContact O-N 2.88Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.35Å; I116-N120 PolarHBondContact O-N 2.79Å; I116-N120 PolarHBondContact O-ND2 2.8Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å
117A95.8Very high95.2Very high59 Ų5968.1 Ų68.149%0.48838%0.376SS..Hα-helixtrans-59.6-43.7178.100000111.7E113 L115 N120 S121E113-A117 WeakPolarHBondContact O-CB 3.37Å; E113-A117 PolarHBondContact O-N 2.87Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.21Å; A117-N120 PolarHBondContact O-N 2.8Å; A117-S121 PolarHBondContact O-N 3.38Å
118A96.8Very high95.4Very high18 Ų1867.1 Ų67.115%0.14938%0.381CS..Hα-helixtrans-64.7-43176.700000112.6F109 D114 L115 I116 N120 S121 D122F109-A118 HydrophobicContact CD1-CB 4.26Å; F109-A118 HydrophobicContact CE1-CB 3.28Å; F109-A118 HydrophobicContact CE2-CB 4.29Å; F109-A118 HydrophobicContact CZ-CB 3.29Å; D114-A118 WeakPolarHBondContact O-CB 3.47Å; D114-A118 PolarHBondContact O-N 2.62Å; L115-A118 PolarHBondContact O-N 3.07Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 2.84Å; A118-N120 VanDerWaalsContact C-N 3.34Å; A118-N120 PolarHBondContact O-N 2.89Å; A118-S121 WeakPolarHBondContact O-CB 3.08Å; A118-S121 PolarHBondContact O-N 2.81Å; A118-D122 PolarHBondContact O-N 3.43Å
119I95.8Very high95.8Very high35 Ų3564 Ų6418%0.17935%0.351CS..Hα-helixtrans-64.5-41178-61.9162.3000110.9I25 L115 I116 S121 D122 I123I25-I119 HydrophobicContact CD1-CB 3.9Å; I25-I119 HydrophobicContact CD1-CD1 4.18Å; I25-I119 HydrophobicContact CD1-CG2 3.59Å; I25-I119 HydrophobicContact CG2-CG2 3.86Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.15Å; L115-I119 HydrophobicContact CG-CD1 3.88Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.42Å; L115-I119 PolarHBondContact O-N 2.84Å; I116-I119 PolarHBondContact O-N 2.88Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.83Å; I119-D122 WeakPolarHBondContact O-CB 3.41Å; I119-D122 PolarHBondContact O-N 2.83Å; I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 HydrophobicContact CG2-CG1 4.5Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.48Å
120N97.2Very high96.2Very high77 Ų7761 Ų6141%0.41234%0.338SS..Hα-helixtrans-63.1-39.8175.2-75.1-40.4000111.7I116 A117 A118 D122 I123 E124I116-N120 WeakPolarHBondContact CG2-ND2 3.35Å; I116-N120 PolarHBondContact O-N 2.79Å; I116-N120 PolarHBondContact O-ND2 2.8Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å; A117-N120 PolarHBondContact O-N 2.8Å; A118-N120 VanDerWaalsContact C-N 3.34Å; A118-N120 PolarHBondContact O-N 2.89Å; N120-D122 VanDerWaalsContact C-N 3.33Å; N120-D122 PolarHBondContact O-N 2.83Å; N120-I123 PolarHBondContact O-N 3.47Å; N120-E124 WeakPolarHBondContact O-CG 3.45Å; N120-E124 PolarHBondContact O-N 2.95Å
121S98.4Very high96.5Very high72 Ų7260.1 Ų60.150%0.50332%0.323SS..Hα-helixtrans-60.8-42.6172.8-172.80000111.7A117 A118 I119 I123 E124 E125A117-S121 PolarHBondContact O-N 3.38Å; A118-S121 WeakPolarHBondContact O-CB 3.08Å; A118-S121 PolarHBondContact O-N 2.81Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.83Å; S121-I123 VanDerWaalsContact C-N 3.33Å; S121-I123 PolarHBondContact O-N 3.4Å; S121-E124 PolarHBondContact O-N 3.39Å; S121-E125 WeakPolarHBondContact O-CB 3.38Å; S121-E125 PolarHBondContact O-N 2.99Å
122D98.6Very high96.7Very high7 Ų761.5 Ų61.54%0.03733%0.327CS..Hα-helixtrans-62.6-40.9177.3-61.2-32.8000111.2I46 I103 R104 A118 I119 N120 E125 A126I46-D122 HydrophobicContact CG2-CB 4.11Å; I103-D122 HydrophobicContact CD1-CB 4.02Å; I103-D122 WeakPolarHBondContact CD1-O 3.31Å; R104-D122 WeakPolarHBondContact CD-OD1 3.46Å; R104-D122 IonicContact CZ-OD1 2.94Å; R104-D122 IonicContact CZ-OD2 2.69Å; R104-D122 VanDerWaalsContact CZ-OD2 3.28Å; R104-D122 IonicContact NE-OD1 2.79Å; R104-D122 PolarHBondContact NE-OD1 3.29Å; R104-D122 IonicContact NE-OD2 3.15Å; R104-D122 PolarHBondContact NE-OD2 2.92Å; R104-D122 VanDerWaalsContact NE-OD2 3.15Å; R104-D122 IonicContact NH2-OD1 3.28Å; R104-D122 IonicContact NH2-OD2 2.72Å; R104-D122 PolarHBondContact NH2-OD2 3.31Å; A118-D122 PolarHBondContact O-N 3.43Å; I119-D122 WeakPolarHBondContact O-CB 3.41Å; I119-D122 PolarHBondContact O-N 2.83Å; N120-D122 VanDerWaalsContact C-N 3.33Å; N120-D122 PolarHBondContact O-N 2.83Å; D122-E125 PolarHBondContact O-N 2.93Å; D122-A126 WeakPolarHBondContact O-CB 3.25Å; D122-A126 PolarHBondContact O-N 3.48Å
123I98.6Very high97.1Very high11 Ų1161.5 Ų61.56%0.05633%0.333CS..Hα-helixtrans-63.6-46177-72.7166.3000111.2I25 V62 I83 I119 N120 S121 A126 K127I25-I123 HydrophobicContact CG2-CD1 4.28Å; V62-I123 HydrophobicContact CG1-CG1 4.42Å; V62-I123 HydrophobicContact CG2-CG1 4Å; I83-I123 HydrophobicContact CD1-CG2 4.05Å; I83-I123 HydrophobicContact CG1-CG2 4.23Å; I83-I123 HydrophobicContact CG2-CG2 4.21Å; I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 HydrophobicContact CG2-CG1 4.5Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.48Å; N120-I123 PolarHBondContact O-N 3.47Å; S121-I123 VanDerWaalsContact C-N 3.33Å; S121-I123 PolarHBondContact O-N 3.4Å; I123-A126 PolarHBondContact O-N 3.12Å; I123-K127 HydrophobicContact CG2-CD 4.36Å; I123-K127 WeakPolarHBondContact O-CG 3.25Å; I123-K127 PolarHBondContact O-N 3.28Å
124E98.7Very high97.2Very high99 Ų9958.5 Ų58.546%0.46332%0.319SS..Hα-helixtrans-65.8-41.1178.4-68.9-51.2128.800111.7N120 S121 A126 K127 V128N120-E124 WeakPolarHBondContact O-CG 3.45Å; N120-E124 PolarHBondContact O-N 2.95Å; S121-E124 PolarHBondContact O-N 3.39Å; E124-A126 PolarHBondContact O-N 2.96Å; E124-K127 WeakPolarHBondContact O-CB 3.49Å; E124-K127 PolarHBondContact O-N 3.25Å; E124-K127 IonicContact OE1-NZ 3.94Å; E124-K127 PolarHBondContact OE1-NZ 2.94Å; E124-K127 IonicContact OE2-NZ 2.62Å; E124-V128 WeakPolarHBondContact O-CG2 3.34Å; E124-V128 PolarHBondContact O-N 2.72Å
125E98.7Very high97.4Very high67 Ų6756.3 Ų56.331%0.31331%0.306SS..Hα-helixtrans-62.3-43.5175.3-172.7173.4154.100111.8S121 D122 K127 V128 K129S121-E125 WeakPolarHBondContact O-CB 3.38Å; S121-E125 PolarHBondContact O-N 2.99Å; D122-E125 PolarHBondContact O-N 2.93Å; E125-K127 PolarHBondContact O-N 2.69Å; E125-V128 PolarHBondContact O-N 3.06Å; E125-K129 HydrophobicContact CG-CD 4.01Å; E125-K129 HydrophobicContact CG-CG 4.37Å; E125-K129 WeakPolarHBondContact O-CB 3.32Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.47Å; E125-K129 WeakPolarHBondContact OE1-CE 3.45Å; E125-K129 IonicContact OE1-NZ 2.85Å; E125-K129 PolarHBondContact OE1-NZ 2.79Å
126A98.8Very high97.6Very high0 Ų057 Ų570%031%0.309CS..Hα-helixtrans-59.6-44.7174.300000112Y48 V62 I83 I103 D122 I123 E124 V128 K129 L130Y48-A126 HydrophobicContact CG-CB 4.3Å; V62-A126 HydrophobicContact CG1-CB 3.48Å; V62-A126 VanDerWaalsContact CG1-CB 3.48Å; I83-A126 HydrophobicContact CD1-CB 4.37Å; I103-A126 HydrophobicContact CD1-CB 4.39Å; D122-A126 WeakPolarHBondContact O-CB 3.25Å; D122-A126 PolarHBondContact O-N 3.48Å; I123-A126 PolarHBondContact O-N 3.12Å; E124-A126 PolarHBondContact O-N 2.96Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.47Å; A126-K129 PolarHBondContact O-N 2.68Å; A126-L130 VanDerWaalsContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CB 3.36Å; A126-L130 WeakPolarHBondContact O-CD1 3.49Å; A126-L130 VanDerWaalsContact O-CG 3.24Å; A126-L130 WeakPolarHBondContact O-CG 3.4Å; A126-L130 PolarHBondContact O-N 3.19Å
127K98.7Very high97.8Very high69 Ų6961.3 Ų61.330%0.333%0.326SS..Hα-helixtrans-57.6-44.7177.5-76.5172.3-176.3169.40111.6K60 I83 I123 E124 E125K60-K127 HydrophobicContact CD-CG 4.25Å; K60-K127 PolarHBondContact NZ-O 3.16Å; I83-K127 HydrophobicContact CD1-CG 4.4Å; I123-K127 HydrophobicContact CG2-CD 4.36Å; I123-K127 WeakPolarHBondContact O-CG 3.25Å; I123-K127 PolarHBondContact O-N 3.28Å; E124-K127 WeakPolarHBondContact O-CB 3.49Å; E124-K127 PolarHBondContact O-N 3.25Å; E124-K127 IonicContact OE1-NZ 3.94Å; E124-K127 PolarHBondContact OE1-NZ 2.94Å; E124-K127 IonicContact OE2-NZ 2.62Å; E125-K127 PolarHBondContact O-N 2.69Å
128V98.6Very high97.9Very high105 Ų10559.5 Ų59.564%0.63631%0.308SS*.Hα-helixtrans-69.2-50.6179.3173.70000111.1E124 E125 A126 L130 E131E124-V128 WeakPolarHBondContact O-CG2 3.34Å; E124-V128 PolarHBondContact O-N 2.72Å; E125-V128 PolarHBondContact O-N 3.06Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.47Å; V128-L130 VanDerWaalsContact C-N 3.27Å; V128-L130 PolarHBondContact O-N 2.91Å; V128-E131 PolarHBondContact O-N 3.49Å; V128-E131 VanDerWaalsContact O-N 3.13Å
129K98.6Very high97.9Very high59 Ų5963 Ų6326%0.25732%0.32SS..Hα-helixtrans-62.6-32.9-176.6-75.8-177.6170.3174.40113Y48 E125 A126 E131 L132 H135Y48-K129 HydrophobicContact CD1-CD 4.23Å; Y48-K129 HydrophobicContact CD2-CB 4.36Å; Y48-K129 HydrophobicContact CE1-CB 4.27Å; Y48-K129 HydrophobicContact CE1-CD 3.48Å; Y48-K129 VanDerWaalsContact CE1-CD 3.48Å; Y48-K129 HydrophobicContact CE2-CB 3.78Å; Y48-K129 HydrophobicContact CE2-CD 4.5Å; E125-K129 HydrophobicContact CG-CD 4.01Å; E125-K129 HydrophobicContact CG-CG 4.37Å; E125-K129 WeakPolarHBondContact O-CB 3.32Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.47Å; E125-K129 WeakPolarHBondContact OE1-CE 3.45Å; E125-K129 IonicContact OE1-NZ 2.85Å; E125-K129 PolarHBondContact OE1-NZ 2.79Å; A126-K129 PolarHBondContact O-N 2.68Å; K129-E131 PolarHBondContact O-N 3.48Å; K129-L132 WeakPolarHBondContact O-CB 3.29Å; K129-L132 WeakPolarHBondContact O-CG 3.43Å; K129-L132 PolarHBondContact O-N 3.15Å; K129-H135 PolarHBondContact O-ND1 3.48Å
130L98.6Very high97.9Very high0 Ų069.2 Ų69.20%035%0.348CS..THydrogen-bonded Turntrans-73.6-11.2179.5-72.7167.9000114.2Y48 G49 W50 K60 V100 A126 V128 L132 H135 I136Y48-L130 HydrophobicContact CD2-CD1 4.27Å; Y48-L130 HydrophobicContact CD2-CD2 3.68Å; Y48-L130 HydrophobicContact CD2-CG 3.7Å; Y48-L130 HydrophobicContact CE2-CD2 4.02Å; Y48-L130 HydrophobicContact CE2-CG 4.22Å; G49-L130 WeakPolarHBondContact O-CD1 3.13Å; W50-L130 HydrophobicContact CD2-CD2 4.42Å; W50-L130 HydrophobicContact CH2-CB 4.28Å; W50-L130 HydrophobicContact CZ2-CB 3.89Å; W50-L130 HydrophobicContact CZ2-CD2 4.08Å; W50-L130 HydrophobicContact CZ2-CG 4.44Å; K60-L130 HydrophobicContact CB-CD1 3.7Å; K60-L130 HydrophobicContact CD-CB 4.13Å; K60-L130 HydrophobicContact CD-CD1 3.96Å; K60-L130 HydrophobicContact CG-CB 4.4Å; K60-L130 HydrophobicContact CG-CD1 3.7Å; V100-L130 HydrophobicContact CB-CD2 4.34Å; V100-L130 HydrophobicContact CG2-CD2 4.17Å; A126-L130 VanDerWaalsContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CB 3.36Å; A126-L130 WeakPolarHBondContact O-CD1 3.49Å; A126-L130 VanDerWaalsContact O-CG 3.24Å; A126-L130 WeakPolarHBondContact O-CG 3.4Å; A126-L130 PolarHBondContact O-N 3.19Å; V128-L130 VanDerWaalsContact C-N 3.27Å; V128-L130 PolarHBondContact O-N 2.91Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-H135 HydrophobicContact CD2-CB 4.36Å; L130-I136 PolarHBondContact O-N 2.93Å
131E98.2Very high97.9Very high104 Ų10468.1 Ų68.149%0.48634%0.343SS..THydrogen-bonded Turntrans-83.8-7.6172.2-63.6-59.6144.300113.1K60 V128 K129K60-E131 WeakPolarHBondContact CE-OE1 3.42Å; K60-E131 IonicContact NZ-OE1 2.6Å; K60-E131 PolarHBondContact NZ-OE1 3.16Å; V128-E131 PolarHBondContact O-N 3.49Å; V128-E131 VanDerWaalsContact O-N 3.13Å; K129-E131 PolarHBondContact O-N 3.48Å
132L98Very high97.8Very high74 Ų7470.2 Ų70.239%0.38735%0.348SS..SBendtrans-62.9139.4174.4-64.8173.4000110.2K129 L130 E134 H135 I136K129-L132 WeakPolarHBondContact O-CB 3.29Å; K129-L132 WeakPolarHBondContact O-CG 3.43Å; K129-L132 PolarHBondContact O-N 3.15Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L132-E134 PolarHBondContact O-N 3.46Å; L132-E134 VanDerWaalsContact O-N 3.13Å; L132-H135 PolarHBondContact O-N 3.23Å; L132-I136 PolarHBondContact O-N 3.28Å
133P97.5Very high97.7Very high99 Ų9971.8 Ų71.864%0.64335%0.354SS*.Hα-helixtrans-53.9-37.5-174.2-28.835.8000114.5H135P133-H135 VanDerWaalsContact C-N 3.27Å; P133-H135 PolarHBondContact O-N 2.96Å
134E96.3Very high97.5Very high97 Ų9772 Ų7245%0.45336%0.355SS..Hα-helixtrans-69.4-22.617864.1-88.5-157.200113.8L132 K137L132-E134 PolarHBondContact O-N 3.46Å; L132-E134 VanDerWaalsContact O-N 3.13Å; E134-K137 WeakPolarHBondContact O-CE 3.41Å; E134-K137 WeakPolarHBondContact O-CG 3.33Å
135H97.8Very high97Very high27 Ų2772.1 Ų72.113%0.12536%0.363CS..Hα-helixtrans-98.6-37.8-178.3-60.8157.1000112.2Y48 W50 V100 K129 L130 L132 P133 K137 L138Y48-H135 PolarHBondContact OH-CE1 3.43Å; Y48-H135 VanDerWaalsContact OH-CE1 3.26Å; W50-H135 PolarHBondContact NE1-O 3.05Å; V100-H135 HydrophobicContact CG1-CB 3.95Å; V100-H135 WeakPolarHBondContact CG1-CD2 3.43Å; V100-H135 VanDerWaalsContact CG1-CG 3.48Å; K129-H135 PolarHBondContact O-ND1 3.48Å; L130-H135 HydrophobicContact CD2-CB 4.36Å; L132-H135 PolarHBondContact O-N 3.23Å; P133-H135 VanDerWaalsContact C-N 3.27Å; P133-H135 PolarHBondContact O-N 2.96Å; H135-K137 VanDerWaalsContact C-N 3.29Å; H135-K137 PolarHBondContact O-N 3.01Å; H135-L138 WeakPolarHBondContact O-CB 3.46Å; H135-L138 PolarHBondContact O-N 3.02Å; H135-L138 VanDerWaalsContact O-N 3.12Å
136I97.6Very high96Very high70 Ų7072 Ų7236%0.35937%0.37SS..Hα-helixtrans-64.3-35-177.4-162.6170.9000112.2L130 L132 L138 K139L130-I136 PolarHBondContact O-N 2.93Å; L132-I136 PolarHBondContact O-N 3.28Å; I136-L138 PolarHBondContact O-N 3.39Å; I136-L138 VanDerWaalsContact O-N 3.17Å; I136-K139 WeakPolarHBondContact O-CB 3.38Å; I136-K139 PolarHBondContact O-N 3.32Å
137K97.1Very high94.1Very high139 Ų13976.5 Ų76.560%0.60440%0.397SS*.G310 helixtrans-59.6-26.5175.666.7178.5-175.3179.70113.6E134 H135 K139 E140E134-K137 WeakPolarHBondContact O-CE 3.41Å; E134-K137 WeakPolarHBondContact O-CG 3.33Å; H135-K137 VanDerWaalsContact C-N 3.29Å; H135-K137 PolarHBondContact O-N 3.01Å; K137-K139 PolarHBondContact O-N 3.15Å; K137-E140 PolarHBondContact O-N 2.81Å
138L97.5Very high91.9Very high20 Ų2078.2 Ų78.211%0.10541%0.414CS..G310 helixtrans-71.4-17.1179.2-65171.4000112.3P5 F7 V98 V100 H135 I136 E140 D141 F144P5-L138 HydrophobicContact CB-CD1 4.17Å; P5-L138 HydrophobicContact CG-CD1 4.44Å; F7-L138 HydrophobicContact CZ-CD2 4.42Å; V98-L138 HydrophobicContact CG1-CD1 4.45Å; V100-L138 HydrophobicContact CB-CD1 4.43Å; V100-L138 HydrophobicContact CG1-CD1 4Å; V100-L138 HydrophobicContact CG2-CD1 3.69Å; H135-L138 WeakPolarHBondContact O-CB 3.46Å; H135-L138 PolarHBondContact O-N 3.02Å; H135-L138 VanDerWaalsContact O-N 3.12Å; I136-L138 PolarHBondContact O-N 3.39Å; I136-L138 VanDerWaalsContact O-N 3.17Å; L138-E140 PolarHBondContact O-N 2.93Å; L138-D141 WeakPolarHBondContact O-CB 3.34Å; L138-D141 PolarHBondContact O-N 3.08Å; L138-F144 WeakPolarHBondContact O-CE2 3.3Å
139K97.6Very high89.1Confident93 Ų9380.6 Ų80.640%0.40442%0.423SS..G310 helixtrans-61-31.4171.6-171.4-173.2175.3-169.50111.8W50 V58 I136 K137W50-K139 HydrophobicContact CD2-CB 3.92Å; W50-K139 HydrophobicContact CD2-CG 4.21Å; W50-K139 HydrophobicContact CE3-CB 4.09Å; W50-K139 HydrophobicContact CE3-CD 4.34Å; W50-K139 HydrophobicContact CE3-CG 3.88Å; W50-K139 HydrophobicContact CH2-CB 4.14Å; W50-K139 HydrophobicContact CH2-CD 3.97Å; W50-K139 HydrophobicContact CH2-CG 4.22Å; W50-K139 HydrophobicContact CZ2-CB 3.97Å; W50-K139 HydrophobicContact CZ3-CB 4.18Å; W50-K139 HydrophobicContact CZ3-CD 3.8Å; W50-K139 HydrophobicContact CZ3-CG 3.86Å; V58-K139 HydrophobicContact CB-CG 3.92Å; V58-K139 HydrophobicContact CG1-CG 3.84Å; V58-K139 WeakPolarHBondContact O-CE 3.37Å; I136-K139 WeakPolarHBondContact O-CB 3.38Å; I136-K139 PolarHBondContact O-N 3.32Å; K137-K139 PolarHBondContact O-N 3.15Å
140E95.8Very high86.3Confident165 Ų16582.7 Ų82.777%0.77144%0.444SS*.G310 helixtrans-99.410.4-176.7-59.9-179.7178.600112.5K137 L138K137-E140 PolarHBondContact O-N 2.81Å; L138-E140 PolarHBondContact O-N 2.93Å
141D96.9Very high83.1Confident54 Ų5487.4 Ų87.429%0.28948%0.478SS..  trans-60.9139.9-179.6-164.9-73.7000111.2F7 L138 F143 F144F7-D141 HydrophobicContact CE1-CB 4.48Å; L138-D141 WeakPolarHBondContact O-CB 3.34Å; L138-D141 PolarHBondContact O-N 3.08Å; D141-F143 HydrophobicContact CB-CB 4.43Å; D141-F143 PolarHBondContact O-N 3.16Å; D141-F143 WeakPolarHBondContact OD1-CB 3.38Å; D141-F143 PolarHBondContact OD1-N 2.96Å; D141-F144 PolarHBondContact O-N 3.28Å
142N95.6Very high80.5Confident115 Ų11587.8 Ų87.862%0.61549%0.489SS*.G310 helixtrans-58.4-19.2178.1-70.8-27.8000112.7F144 T145 S146N142-F144 PolarHBondContact O-N 3.29Å; N142-T145 PolarHBondContact O-N 3.47Å; N142-T145 VanDerWaalsContact O-N 3.15Å; N142-T145 PolarHBondContact O-OG1 2.99Å; N142-S146 WeakPolarHBondContact O-CB 3.45Å; N142-S146 PolarHBondContact O-N 2.99Å; N142-S146 PolarHBondContact O-OG 3.16Å
143F96.3Very high77.6Confident40 Ų4091 Ų9118%0.17551%0.511CS..G310 helixtrans-56.2-21.9168.5177.7-101.3000113.7F7 C8 R9 V97 V98 D141F7-F143 HydrophobicContact CB-CD2 4.13Å; F7-F143 HydrophobicContact CB-CE1 4.42Å; F7-F143 HydrophobicContact CB-CE2 3.93Å; F7-F143 HydrophobicContact CB-CG 4.45Å; F7-F143 HydrophobicContact CB-CZ 4.07Å; F7-F143 HydrophobicContact CD1-CB 3.72Å; F7-F143 AromaticContact CD1-CD1 3.68Å; F7-F143 HydrophobicContact CD1-CD1 3.68Å; F7-F143 AromaticContact CD1-CD2 3.93Å; F7-F143 HydrophobicContact CD1-CD2 3.93Å; F7-F143 HydrophobicContact CD1-CE1 4.23Å; F7-F143 HydrophobicContact CD1-CE2 4.46Å; F7-F143 AromaticContact CD1-CG 3.49Å; F7-F143 HydrophobicContact CD1-CG 3.49Å; F7-F143 VanDerWaalsContact CD1-CG 3.49Å; F7-F143 HydrophobicContact CE1-CB 3.98Å; F7-F143 HydrophobicContact CE1-CD1 4.43Å; F7-F143 HydrophobicContact CE1-CG 4.22Å; F7-F143 HydrophobicContact CG-CD2 4.48Å; F7-F143 HydrophobicContact CG-CG 4.42Å; C8-F143 WeakPolarHBondContact O-CZ 3.41Å; R9-F143 HydrophobicContact CG-CE1 4.28Å; R9-F143 HydrophobicContact CG-CE2 3.74Å; R9-F143 HydrophobicContact CG-CZ 3.34Å; R9-F143 PolarHBondContact NH2-O 3.35Å; V97-F143 WeakPolarHBondContact O-CE1 3.35Å; V98-F143 HydrophobicContact CG2-CD1 3.63Å; V98-F143 HydrophobicContact CG2-CE1 3.95Å; D141-F143 HydrophobicContact CB-CB 4.43Å; D141-F143 PolarHBondContact O-N 3.16Å; D141-F143 WeakPolarHBondContact OD1-CB 3.38Å; D141-F143 PolarHBondContact OD1-N 2.96Å
144F95.6Very high74.7Confident15 Ų1591.2 Ų91.27%0.06652%0.515CS..G310 helixtrans-92.3-17.2175.7-67.8-60.3000114W50 C52 V58 V98 L138 D141 N142W50-F144 HydrophobicContact CB-CE2 3.8Å; W50-F144 HydrophobicContact CB-CZ 3.57Å; C52-F144 HydrophobicContact CB-CD1 3.43Å; C52-F144 VanDerWaalsContact CB-CD1 3.43Å; C52-F144 HydrophobicContact CB-CE1 3.85Å; C52-F144 HydrophobicContact CB-CG 4.31Å; V58-F144 HydrophobicContact CG1-CD2 3.96Å; V58-F144 HydrophobicContact CG1-CE1 4.36Å; V58-F144 HydrophobicContact CG1-CE2 3.73Å; V58-F144 HydrophobicContact CG1-CG 4.36Å; V58-F144 HydrophobicContact CG1-CZ 3.92Å; V58-F144 HydrophobicContact CG2-CB 3.73Å; V58-F144 HydrophobicContact CG2-CD1 4.17Å; V58-F144 HydrophobicContact CG2-CD2 3.81Å; V58-F144 HydrophobicContact CG2-CE2 4.42Å; V58-F144 HydrophobicContact CG2-CG 3.64Å; V98-F144 HydrophobicContact CB-CZ 4.15Å; V98-F144 HydrophobicContact CG2-CE1 4.22Å; V98-F144 HydrophobicContact CG2-CE2 3.74Å; V98-F144 HydrophobicContact CG2-CZ 3.44Å; V98-F144 VanDerWaalsContact CG2-CZ 3.44Å; L138-F144 WeakPolarHBondContact O-CE2 3.3Å; D141-F144 PolarHBondContact O-N 3.28Å; N142-F144 PolarHBondContact O-N 3.29Å
145T87.1Confident71.8Confident102 Ų10292.1 Ų92.163%0.62653%0.533SS*.THydrogen-bonded Turntrans-106.8-19.3-175.356.20000113.6N142 T147N142-T145 PolarHBondContact O-N 3.47Å; N142-T145 VanDerWaalsContact O-N 3.15Å; N142-T145 PolarHBondContact O-OG1 2.99Å; T145-T147 PolarHBondContact O-N 3.46Å; T145-T147 VanDerWaalsContact O-N 3.09Å
146S77.3Confident68.8Low66 Ų6696.1 Ų96.146%0.46256%0.563SS.*  trans-72.6103-179.9-590000110.7R9 N142 T148R9-S146 PolarHBondContact NH1-O 3.43Å; R9-S146 PolarHBondContact NH2-O 2.85Å; N142-S146 WeakPolarHBondContact O-CB 3.45Å; N142-S146 PolarHBondContact O-N 2.99Å; N142-S146 PolarHBondContact O-OG 3.16Å; S146-T148 PolarHBondContact O-N 3.34Å
147T59.3Low65.9Low93 Ų9398.6 Ų98.657%0.57159%0.587SS**  trans-66.2120.5168.713.10000109.1T145 N149T145-T147 PolarHBondContact O-N 3.46Å; T145-T147 VanDerWaalsContact O-N 3.09Å; T147-N149 PolarHBondContact O-N 3.26Å
148T53.2Low63.1Low106 Ų10697.1 Ų97.165%0.6560%0.6SS**  trans-70.499.6167.339.50000108.2S146 S150S146-T148 PolarHBondContact O-N 3.34Å; T148-S150 PolarHBondContact O-N 3.3Å
149N38.6Very low60.2Low155 Ų155100.9 Ų100.983%0.82964%0.635SS**  trans-68.179.2160.5-81-18.4000108.6T147 S151T147-N149 PolarHBondContact O-N 3.26Å; N149-S151 PolarHBondContact O-N 3.43Å
150S40Very low57.2Low102 Ų102102.3 Ų102.371%0.71366%0.656SS**  trans-93.483.3164.446.90000108.6T148T148-S150 PolarHBondContact O-N 3.3Å
151S31.4Very low54.5Low100 Ų100100.7 Ų100.770%0.69966%0.658SS**  trans-69140.7156.8-59.60000108.7N149 V153N149-S151 PolarHBondContact O-N 3.43Å; S151-V153 PolarHBondContact O-N 3.46Å
152P44.6Very low51.7Low112 Ų112103.3 Ų103.373%0.72768%0.681SS**  trans-67.4131.1172.627-28.7000108.7S154P152-S154 PolarHBondContact O-N 2.61Å
153V36.7Very low49.1Very low141 Ų141106.4 Ų106.486%0.85569%0.691SS**  trans-65.498.5171.5-179.50000107.6S151 S155S151-V153 PolarHBondContact O-N 3.46Å; V153-S155 PolarHBondContact O-N 3.07Å; V153-S155 VanDerWaalsContact O-N 3.1Å
154S36.9Very low46.5Very low103 Ų103109.8 Ų109.872%0.7272%0.72SS**  trans-68.896.8163.9-53.20000107.9P152 S156P152-S154 PolarHBondContact O-N 2.61Å; S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 3.41Å
155S34.5Very low44.1Very low117 Ų117116.4 Ų116.482%0.81875%0.754SS**  trans-74.189.6165.6570000109V153V153-S155 PolarHBondContact O-N 3.07Å; V153-S155 VanDerWaalsContact O-N 3.1Å
156S35.8Very low41.9Very low110 Ų110118.4 Ų118.477%0.76976%0.76SS**  trans-101.4111.2159.755.80000109.3S154S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 3.41Å
157S36.2Very low40.1Very low123 Ų123123 Ų12386%0.8678%0.779SS**  trans-144.8105.6145.857.70000108.4
158A37.4Very low39.1Very low107 Ų107121.8 Ų121.888%0.88479%0.785SS**  trans-85.1130.9165.100000108.1
159A37.9Very low38.3Very low100 Ų100129.8 Ų129.883%0.82681%0.814SS**  trans-169.3103.6147.400000108.9
160S34.4Very low38.3Very low123 Ų123128.5 Ų128.586%0.8681%0.814SS**  trans-135.398.1152.6-172.50000107.2
161T38.8Very low38.2Very low130 Ų130129.9 Ų129.980%0.79882%0.819SS**  trans-78128.6173.8-63.40000108.6
162S38.1Very low38.6Very low110 Ų110131.6 Ų131.677%0.76983%0.826SS**  trans-48.2132.2169.6-51.40000112.8
163Q40.8Very low38.2Very low180 Ų180132.7 Ų132.784%0.84183%0.831SS**  trans-134.2109.1151.9-96.4-178.3-0.700109.9
164S41.1Very low38.3Very low110 Ų110132.2 Ų132.277%0.76983%0.83SS**  trans-73124159.525.10000109.3
165I46.5Very low38.4Very low154 Ų154134.1 Ų134.179%0.7984%0.837SS**  trans-131.1120.1155.8-63.5-174.2000108.1
166I41.4Very low38.7Very low144 Ų144135.4 Ų135.474%0.73884%0.839SS**  trans-95.3126.6170.1-64.2162.4000106.9
167N38.1Very low38.9Very low162 Ų162137.3 Ų137.387%0.86684%0.844SS**  trans153.5135.2134.4-87.1-25.6000113.1
168G38Very low39.1Very low68 Ų68138.5 Ų138.570%0.70184%0.843SS**  trans135.764.5145.200000118.4
169H36.8Very low39.3Very low274 Ų274141.4 Ų141.4100%1.26984%0.839SS**  165.70119.7-91-22.4000112

Retrieved 169 of 169 residues in 298.1 ms (Link to these results)

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