A0A087XCW3_POEFO Loading...

Large ribosomal subunit protein uL5

AlphaFold DB (A0A3Q2DCD6), UniProt , Accession A0A087XCW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 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
1M44Very low55.1Low252 Ų252153.7 Ų153.7100%1.24179%0.792SS**  098.40-81.5169.3164.700109.5
2A38.2Very low57.9Low91 Ų91150 Ų15075%0.75277%0.771SS**  trans-150.494.7153.100000103.8Q4A2-Q4 PolarHBondContact O-N 2.95Å
3D37.6Very low60.2Low158 Ų158147.8 Ų147.885%0.84575%0.747SS**  trans-45.1104.4170.4-179.238.5000108.5G5D3-G5 PolarHBondContact O-N 2.94Å
4Q43.6Very low62.4Low189 Ų189147.6 Ų147.688%0.88374%0.742SS**  trans-7862165.1-70.6-16418.500106.8A2 E6A2-Q4 PolarHBondContact O-N 2.95Å; Q4-E6 PolarHBondContact O-N 2.72Å
5G39.9Very low64.4Low35 Ų35139.1 Ų139.136%0.36170%0.699SS.*  trans-52.2132170.100000107.9D3 K7D3-G5 PolarHBondContact O-N 2.94Å; G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.29Å
6E46.7Very low66.1Low195 Ų195138.9 Ų138.991%0.91169%0.688SS**  trans-45.496.7175-70.4178.214700108.9Q4 K8Q4-E6 PolarHBondContact O-N 2.72Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 2.84Å
7K50.7Low67.8Low196 Ų196131.9 Ų131.985%0.85265%0.654SS**  trans-67.9101175.4-83178.5179.6168.10105.1G5 E9G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.29Å; K7-E9 PolarHBondContact O-N 2.9Å
8K57Low69.3Low204 Ų204129.3 Ų129.389%0.88764%0.635SS**  trans-36.3111.4165.6-83.4-176.8174.9178.90107.5E6 N10E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 2.84Å; K8-N10 PolarHBondContact O-N 2.79Å; K8-N10 VanDerWaalsContact O-N 3.1Å
9E74.5Confident70.7Confident179 Ų179125.8 Ų125.884%0.83662%0.616SS**  trans-58.5123.3-178.5-92.5-171148.500107.4K7 P11K7-E9 PolarHBondContact O-N 2.9Å; E9-P11 VanDerWaalsContact O-CD 3.31Å; E9-P11 WeakPolarHBondContact O-CD 3.41Å; E9-P11 VanDerWaalsContact O-N 3.17Å
10N86Confident72Confident88 Ų88119.6 Ų119.647%0.47159%0.585SS.*  trans-60.3122.9178.1-178.1-25.4000107.5K8 M12 R13K8-N10 PolarHBondContact O-N 2.79Å; K8-N10 VanDerWaalsContact O-N 3.1Å; N10-M12 PolarHBondContact O-N 2.87Å; N10-M12 WeakPolarHBondContact OD1-CB 3.49Å; N10-M12 PolarHBondContact OD1-N 2.94Å; N10-R13 HydrophobicContact CB-CG 4.33Å; N10-R13 WeakPolarHBondContact O-CB 3.47Å; N10-R13 PolarHBondContact O-N 3.36Å
11P87.8Confident73.2Confident104 Ų104115.1 Ų115.168%0.67557%0.566SS**G310 helixtrans-53-29.5-179.1-27.734.8000113E9 R13 E14E9-P11 VanDerWaalsContact O-CD 3.31Å; E9-P11 WeakPolarHBondContact O-CD 3.41Å; E9-P11 VanDerWaalsContact O-N 3.17Å; P11-R13 PolarHBondContact O-N 2.95Å; P11-R13 VanDerWaalsContact O-N 3.08Å; P11-E14 WeakPolarHBondContact O-CB 3.3Å; P11-E14 PolarHBondContact O-N 3.05Å
12M89.2Confident75.7Confident109 Ų109103.1 Ų103.154%0.53751%0.507SS..G310 helixtrans-70.1-2.4177.7-60.7-63.9-77.700114.4N10 P137N10-M12 PolarHBondContact O-N 2.87Å; N10-M12 WeakPolarHBondContact OD1-CB 3.49Å; N10-M12 PolarHBondContact OD1-N 2.94Å; M12-P137 HydrophobicContact CE-CB 3.6Å; M12-P137 WeakPolarHBondContact O-CD 3.3Å; M12-P137 HydrophobicContact SD-CB 4.03Å
13R88Confident78.5Confident121 Ų121101.2 Ų101.246%0.45748%0.484SS..G310 helixtrans-98.8-3.1174.5-70.7-171.1169-169.7-1.1114N10 P11 L15 R136N10-R13 HydrophobicContact CB-CG 4.33Å; N10-R13 WeakPolarHBondContact O-CB 3.47Å; N10-R13 PolarHBondContact O-N 3.36Å; P11-R13 PolarHBondContact O-N 2.95Å; P11-R13 VanDerWaalsContact O-N 3.08Å; R13-L15 PolarHBondContact O-N 3.46Å; R13-R136 WeakPolarHBondContact O-CD 3.44Å; R13-R136 PolarHBondContact O-NE 3.14Å
14E90.1Very high81.3Confident145 Ų14593.9 Ų93.968%0.67845%0.445SS*.  trans-57.5135.3176.2-168.3-179.4-179.300111.1P11 P137P11-E14 WeakPolarHBondContact O-CB 3.3Å; P11-E14 PolarHBondContact O-N 3.05Å; E14-P137 WeakPolarHBondContact O-CD 3.08Å
15L92.1Very high83.7Confident20 Ų2088.7 Ų88.711%0.10543%0.428CS..  trans-83130.5177.7-89.970000109.4R13 L134 R136 I157 W165R13-L15 PolarHBondContact O-N 3.46Å; L15-L134 HydrophobicContact CD2-CD1 4.27Å; L15-R136 HydrophobicContact CD1-CG 4.3Å; L15-I157 HydrophobicContact CD2-CD1 4.45Å; L15-I157 HydrophobicContact CD2-CG2 3.89Å; L15-I157 HydrophobicContact CG-CD1 4.21Å; L15-I157 HydrophobicContact CG-CG1 4.4Å; L15-W165 HydrophobicContact CB-CG 3.91Å; L15-W165 HydrophobicContact CD2-CB 3.85Å; L15-W165 HydrophobicContact CD2-CG 3.99Å; L15-W165 PolarHBondContact O-NE1 3.38Å
16R92.7Very high86.2Confident137 Ų13788.3 Ų88.352%0.51742%0.419SS..EExtended strand (participates in β ladder)trans-131.2157.4175.360.6179.1-177.2-176.93.3111.3R18 G135R16-R18 PolarHBondContact O-N 3.05Å; R16-G135 VanDerWaalsContact CG-O 3.27Å; R16-G135 WeakPolarHBondContact CG-O 3.48Å; R16-G135 PolarHBondContact N-O 3.49Å; R16-G135 PolarHBondContact O-N 2.94Å
17I94.7Very high88.3Confident20 Ų2080.3 Ų80.310%0.10339%0.389CS..EExtended strand (participates in β ladder)trans-72116.4171.2-62.4160.8000108E80 L83 V132 L134 W165 Y170I17-E80 HydrophobicContact CD1-CG 3.93Å; I17-L83 HydrophobicContact CD1-CD2 3.64Å; I17-L83 HydrophobicContact CG1-CD2 4.45Å; I17-V132 HydrophobicContact CG1-CG1 4.28Å; I17-V132 HydrophobicContact CG2-CG1 4.16Å; I17-L134 HydrophobicContact CG1-CD2 4.08Å; I17-W165 HydrophobicContact CD1-CH2 3.86Å; I17-W165 HydrophobicContact CD1-CZ2 4.42Å; I17-W165 HydrophobicContact CG1-CH2 3.56Å; I17-W165 HydrophobicContact CG1-CZ2 3.99Å; I17-Y170 WeakPolarHBondContact CD1-OH 3.17Å
18R94.6Very high90.2Very high84 Ų8475 Ų7532%0.31737%0.368SS..EExtended strand (participates in β ladder)trans-83.5-41.6178.3-178.3176172.4179.5-6.4111.4R16 V133 D143R16-R18 PolarHBondContact O-N 3.05Å; R18-V133 HydrophobicContact CB-CG1 4.42Å; R18-V133 WeakPolarHBondContact CB-O 3.21Å; R18-V133 PolarHBondContact N-O 2.97Å; R18-D143 IonicContact CZ-OD1 3.35Å; R18-D143 IonicContact CZ-OD2 2.9Å; R18-D143 VanDerWaalsContact CZ-OD2 3.25Å; R18-D143 IonicContact NH1-OD1 3.95Å; R18-D143 IonicContact NH1-OD2 3.76Å; R18-D143 PolarHBondContact NH1-OD2 2.92Å; R18-D143 IonicContact NH2-OD1 3.71Å; R18-D143 PolarHBondContact NH2-OD1 3.42Å; R18-D143 IonicContact NH2-OD2 3.26Å; R18-D143 PolarHBondContact NH2-OD2 3.32Å
19K96.2Very high91.8Very high64 Ų6468.1 Ų68.128%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-161.1150.9174.459.4175.5-173.1167.90110.5T73 V74 R75 V133K19-T73 HydrophobicContact CB-CG2 3.88Å; K19-T73 HydrophobicContact CD-CG2 3.85Å; K19-T73 HydrophobicContact CG-CG2 4.41Å; K19-V74 WeakPolarHBondContact CA-O 3.46Å; K19-R75 HydrophobicContact CB-CG 3.82Å; K19-V133 HydrophobicContact CD-CG2 4.41Å; K19-V133 HydrophobicContact CG-CB 3.72Å; K19-V133 HydrophobicContact CG-CG1 4.43Å; K19-V133 HydrophobicContact CG-CG2 3.94Å; K19-V133 PolarHBondContact N-O 3.17Å; K19-V133 PolarHBondContact O-N 3.31Å
20L96.9Very high92.6Very high0 Ų061.7 Ų61.70%033%0.326CS..EExtended strand (participates in β ladder)trans-107123.7164.3177.267.6000107.7L22 T73 V74 A79 I82 L83 F130 V132L20-L22 HydrophobicContact CD1-CD2 4.39Å; L20-L22 HydrophobicContact CD2-CD2 4.01Å; L20-L22 HydrophobicContact CD2-CG 4.31Å; L20-L22 HydrophobicContact CG-CD2 4.06Å; L20-L22 HydrophobicContact CG-CG 4.26Å; L20-T73 CarbonylContact O-C 3.43Å; L20-T73 WeakPolarHBondContact O-CA 3.37Å; L20-V74 PolarHBondContact N-O 3.32Å; L20-V74 PolarHBondContact O-N 3.5Å; L20-A79 HydrophobicContact CB-CB 3.86Å; L20-I82 HydrophobicContact CD2-CB 4.06Å; L20-I82 HydrophobicContact CD2-CG2 3.91Å; L20-L83 HydrophobicContact CD1-CD1 4.48Å; L20-L83 HydrophobicContact CD2-CB 4.37Å; L20-F130 HydrophobicContact CD1-CB 4.4Å; L20-F130 HydrophobicContact CD1-CD1 3.97Å; L20-F130 HydrophobicContact CD2-CD1 4.23Å; L20-F130 HydrophobicContact CD2-CE1 4.43Å; L20-V132 HydrophobicContact CD1-CG2 3.67Å
21C97.2Very high92.8Very high27 Ų2762.8 Ų62.818%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-103.8123.1172.7-68.30000108.5Y131C21-Y131 PolarHBondContact N-O 3.35Å; C21-Y131 PolarHBondContact O-N 3.17Å
22L96.1Very high93Very high0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-106.9128.6176.5-64.3177.7000108.2L20 L40 L43 T44 H71 C72 V74 I82 L128 D129 F130L20-L22 HydrophobicContact CD1-CD2 4.39Å; L20-L22 HydrophobicContact CD2-CD2 4.01Å; L20-L22 HydrophobicContact CD2-CG 4.31Å; L20-L22 HydrophobicContact CG-CD2 4.06Å; L20-L22 HydrophobicContact CG-CG 4.26Å; L22-L40 HydrophobicContact CB-CD2 3.97Å; L22-L43 HydrophobicContact CD1-CD2 3.95Å; L22-T44 HydrophobicContact CD1-CG2 3.47Å; L22-T44 VanDerWaalsContact CD1-CG2 3.47Å; L22-H71 CarbonylContact O-C 3.56Å; L22-H71 WeakPolarHBondContact O-CA 3.39Å; L22-H71 VanDerWaalsContact O-CB 3.3Å; L22-H71 WeakPolarHBondContact O-CB 2.98Å; L22-C72 PolarHBondContact N-O 3.18Å; L22-C72 PolarHBondContact O-N 3.26Å; L22-V74 HydrophobicContact CD1-CG2 4.37Å; L22-I82 HydrophobicContact CD1-CG2 4.04Å; L22-L128 HydrophobicContact CB-CD1 4.19Å; L22-L128 HydrophobicContact CD2-CD2 4.26Å; L22-D129 WeakPolarHBondContact CA-O 3.24Å; L22-F130 HydrophobicContact CD2-CD1 3.38Å; L22-F130 HydrophobicContact CD2-CD2 4.14Å; L22-F130 HydrophobicContact CD2-CE1 3.42Å; L22-F130 VanDerWaalsContact CD2-CE1 3.42Å; L22-F130 HydrophobicContact CD2-CE2 4.16Å; L22-F130 HydrophobicContact CD2-CG 3.75Å; L22-F130 HydrophobicContact CD2-CZ 3.8Å
23N96.7Very high93.3Very high50 Ų5058.7 Ų58.727%0.26730%0.298SS..EExtended strand (participates in β ladder)trans-134.2130.6-176175.870.2000111.2H71 D129N23-H71 HydrophobicContact CB-CB 4.31Å; N23-D129 HydrophobicContact CB-CB 4.32Å; N23-D129 PolarHBondContact N-O 3.08Å; N23-D129 PolarHBondContact O-N 3.49Å
24I96.2Very high93.5Very high4 Ų456.1 Ų56.12%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-118115.7168.8-56.3-178.8000107.4V26 A36 L40 A69 V70 Y126 L128I24-V26 HydrophobicContact CG2-CG2 4Å; I24-A36 HydrophobicContact CD1-CB 4.39Å; I24-A36 HydrophobicContact CG2-CB 4.02Å; I24-L40 HydrophobicContact CD1-CD1 4.18Å; I24-L40 HydrophobicContact CD1-CD2 4.04Å; I24-L40 HydrophobicContact CD1-CG 3.71Å; I24-L40 HydrophobicContact CG1-CD1 4.13Å; I24-L40 HydrophobicContact CG1-CD2 4.21Å; I24-L40 HydrophobicContact CG1-CG 4.11Å; I24-A69 WeakPolarHBondContact O-CA 3.49Å; I24-A69 WeakPolarHBondContact O-CB 3.34Å; I24-V70 HydrophobicContact CB-CG1 4.03Å; I24-V70 PolarHBondContact N-O 3.12Å; I24-V70 PolarHBondContact O-N 2.7Å; I24-Y126 HydrophobicContact CG2-CD1 4.34Å; I24-L128 HydrophobicContact CD1-CD1 3.99Å; I24-L128 HydrophobicContact CG1-CD1 3.38Å
25C94.9Very high93.7Very high80 Ų8054 Ų5454%0.54128%0.281SS..EExtended strand (participates in β ladder)trans-101.6114171.6-166.90000109A69C25-A69 HydrophobicContact CB-CB 4.19Å
26V92.4Very high93.8Very high27 Ų2753 Ų5316%0.16428%0.276CS..  trans-94.5-30.8179.5-167.40000110.5I24 E28 R32 L33 A36 I68 Y126I24-V26 HydrophobicContact CG2-CG2 4Å; V26-E28 VanDerWaalsContact C-N 3.28Å; V26-E28 HydrophobicContact CG1-CG 3.89Å; V26-E28 PolarHBondContact O-N 3.12Å; V26-R32 HydrophobicContact CG1-CB 4.09Å; V26-R32 VanDerWaalsContact CG1-CD 3.43Å; V26-R32 HydrophobicContact CG1-CG 3.7Å; V26-L33 HydrophobicContact CG2-CD1 4.1Å; V26-A36 HydrophobicContact CG2-CB 3.95Å; V26-I68 PolarHBondContact N-O 3Å; V26-Y126 HydrophobicContact CG2-CE1 4.49Å
27G91.2Very high93.9Very high28 Ų2846.9 Ų46.929%0.28926%0.255SS..SBendtrans82.82.2178.100000114.4I62 I68G27-I62 WeakPolarHBondContact O-CG2 3.37Å; G27-I68 PolarHBondContact N-O 3.48Å; G27-I68 VanDerWaalsContact N-O 3.08Å
28E90.8Very high93.8Very high85 Ų8551.5 Ų51.540%0.39727%0.274SS..SBendtrans-138.9157.2176.963.9-171170.500110.8V26 R32V26-E28 VanDerWaalsContact C-N 3.28Å; V26-E28 HydrophobicContact CG1-CG 3.89Å; V26-E28 PolarHBondContact O-N 3.12Å; E28-R32 WeakPolarHBondContact OE1-CD 3.46Å; E28-R32 IonicContact OE1-NE 3.64Å; E28-R32 IonicContact OE1-NH1 2.72Å; E28-R32 PolarHBondContact OE1-NH1 3Å
29S89.3Confident93.7Very high59 Ų5947.6 Ų47.641%0.41326%0.26SS..  trans-87.7174.4169.262.90000111.4E66 K67S29-E66 WeakPolarHBondContact CB-OE1 3.45Å; S29-E66 PolarHBondContact OG-OE1 3.34Å; S29-K67 WeakPolarHBondContact CA-O 3.35Å
30G90.6Very high93.6Very high43 Ų4344.6 Ų44.644%0.44325%0.247SC..SBendtrans96.3-152.1176.200000114.2R32 L33 T34G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.36Å; G30-L33 PolarHBondContact O-N 3.34Å; G30-T34 PolarHBondContact O-N 2.86Å
31D92Very high93.4Very high111 Ų11148.6 Ų48.659%0.59427%0.265SS*.Hα-helixtrans-67.2-32.6-165.7-70.2-15.8000113.9L33 T34 R35D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 PolarHBondContact O-N 3.03Å; D31-T34 WeakPolarHBondContact CA-OG1 3.5Å; D31-T34 PolarHBondContact O-N 2.95Å; D31-T34 PolarHBondContact O-OG1 3.45Å; D31-R35 VanDerWaalsContact O-CG 3.25Å; D31-R35 WeakPolarHBondContact O-CG 3.43Å; D31-R35 PolarHBondContact O-N 3.03Å
32R91.9Very high93.2Very high123 Ų12352.9 Ų52.946%0.46428%0.283SS..Hα-helixtrans-64.7-36.7178.9-161.1-179.3178.5-175.7-2.5111.4V26 E28 G30 R35 A36 Y126V26-R32 HydrophobicContact CG1-CB 4.09Å; V26-R32 VanDerWaalsContact CG1-CD 3.43Å; V26-R32 HydrophobicContact CG1-CG 3.7Å; E28-R32 WeakPolarHBondContact OE1-CD 3.46Å; E28-R32 IonicContact OE1-NE 3.64Å; E28-R32 IonicContact OE1-NH1 2.72Å; E28-R32 PolarHBondContact OE1-NH1 3Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.36Å; R32-R35 PolarHBondContact O-N 2.95Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 2.72Å; R32-Y126 HydrophobicContact CG-CE1 3.69Å; R32-Y126 WeakPolarHBondContact CG-OH 3.25Å; R32-Y126 PolarHBondContact O-OH 2.98Å
33L93.8Very high93Very high4 Ų454 Ų542%0.02129%0.288CS..Hα-helixtrans-70.3-36.8175.7-174.563.7000112.3V26 G30 D31 A36 A37 F50 K67 V70V26-L33 HydrophobicContact CG2-CD1 4.1Å; G30-L33 PolarHBondContact O-N 3.34Å; D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 PolarHBondContact O-N 3.03Å; L33-A36 PolarHBondContact O-N 3.45Å; L33-A37 PolarHBondContact O-N 3Å; L33-F50 HydrophobicContact CD1-CD1 4.46Å; L33-F50 HydrophobicContact CD2-CD1 3.93Å; L33-F50 HydrophobicContact CD2-CE1 4.31Å; L33-F50 HydrophobicContact CG-CD1 3.98Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-K67 HydrophobicContact CD2-CB 3.56Å; L33-K67 WeakPolarHBondContact CD2-O 3.43Å; L33-V70 HydrophobicContact CD1-CB 4.14Å; L33-V70 HydrophobicContact CD1-CG1 4.18Å
34T93.7Very high92.7Very high68 Ų6851.8 Ų51.842%0.41728%0.277SS..Hα-helixtrans-70.3-34.4176.562.70000111.8G30 D31 A37 K38G30-T34 PolarHBondContact O-N 2.86Å; D31-T34 WeakPolarHBondContact CA-OG1 3.5Å; D31-T34 PolarHBondContact O-N 2.95Å; D31-T34 PolarHBondContact O-OG1 3.45Å; T34-A37 WeakPolarHBondContact O-CB 3.34Å; T34-A37 PolarHBondContact O-N 3.12Å; T34-K38 PolarHBondContact O-N 3.11Å
35R93.7Very high92.5Very high99 Ų9954.2 Ų54.237%0.37430%0.303SS..Hα-helixtrans-66.2-45.2171.6-68.9168.6-165.3-165.313.3112D31 R32 A37 K38 V39 S122 I123 Y126D31-R35 VanDerWaalsContact O-CG 3.25Å; D31-R35 WeakPolarHBondContact O-CG 3.43Å; D31-R35 PolarHBondContact O-N 3.03Å; R32-R35 PolarHBondContact O-N 2.95Å; R35-A37 PolarHBondContact O-N 3.23Å; R35-K38 WeakPolarHBondContact O-CB 3.42Å; R35-K38 PolarHBondContact O-N 3.28Å; R35-V39 PolarHBondContact O-N 2.85Å; R35-V39 VanDerWaalsContact O-N 3.12Å; R35-S122 VanDerWaalsContact CD-O 3.25Å; R35-S122 WeakPolarHBondContact CD-O 3.23Å; R35-S122 VanDerWaalsContact CZ-O 3.25Å; R35-S122 PolarHBondContact NE-O 3.47Å; R35-S122 PolarHBondContact NH1-O 3.25Å; R35-I123 HydrophobicContact CB-CG2 4.41Å; R35-Y126 HydrophobicContact CB-CE2 4.38Å
36A94.1Very high92.5Very high0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-58.5-3617400000112.3I24 V26 R32 L33 V39 L40 V70 Y126I24-A36 HydrophobicContact CD1-CB 4.39Å; I24-A36 HydrophobicContact CG2-CB 4.02Å; V26-A36 HydrophobicContact CG2-CB 3.95Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 2.72Å; L33-A36 PolarHBondContact O-N 3.45Å; A36-V39 PolarHBondContact O-N 2.9Å; A36-L40 PolarHBondContact O-N 3.1Å; A36-L40 VanDerWaalsContact O-N 3.14Å; A36-V70 HydrophobicContact CB-CG1 3.9Å; A36-Y126 HydrophobicContact CB-CD1 4.22Å; A36-Y126 HydrophobicContact CB-CE1 4.11Å
37A94.6Very high92.6Very high8 Ų858 Ų587%0.06632%0.319CS..Hα-helixtrans-62.8-42.717400000112L33 T34 R35 V39 L40 E41 P48 F50 V70L33-A37 PolarHBondContact O-N 3Å; T34-A37 WeakPolarHBondContact O-CB 3.34Å; T34-A37 PolarHBondContact O-N 3.12Å; R35-A37 PolarHBondContact O-N 3.23Å; A37-V39 VanDerWaalsContact C-N 3.32Å; A37-V39 PolarHBondContact O-N 3.4Å; A37-L40 PolarHBondContact O-N 2.79Å; A37-E41 WeakPolarHBondContact O-CB 3.32Å; A37-E41 PolarHBondContact O-N 3.01Å; A37-P48 HydrophobicContact CB-CG 3.88Å; A37-F50 HydrophobicContact CB-CE1 3.9Å; A37-F50 HydrophobicContact CB-CZ 3.68Å; A37-V70 HydrophobicContact CB-CG2 4Å
38K93.1Very high92.8Very high118 Ų11857.3 Ų57.351%0.51331%0.309SS..Hα-helixtrans-61.2-38.9175.4-69179.5177.3-177.20112.4T34 R35 E41 Q42T34-K38 PolarHBondContact O-N 3.11Å; R35-K38 WeakPolarHBondContact O-CB 3.42Å; R35-K38 PolarHBondContact O-N 3.28Å; K38-E41 PolarHBondContact O-N 3.33Å; K38-Q42 WeakPolarHBondContact O-CB 3.33Å; K38-Q42 WeakPolarHBondContact O-CG 3.44Å; K38-Q42 PolarHBondContact O-N 3.24Å
39V93Very high93.1Very high2 Ų257.2 Ų57.21%0.01232%0.315CS..Hα-helixtrans-61.2-48.3175.5175.80000111.2R35 A36 A37 E41 Q42 L43 H112 I117 I123 Y126R35-V39 PolarHBondContact O-N 2.85Å; R35-V39 VanDerWaalsContact O-N 3.12Å; A36-V39 PolarHBondContact O-N 2.9Å; A37-V39 VanDerWaalsContact C-N 3.32Å; A37-V39 PolarHBondContact O-N 3.4Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 2.9Å; V39-Q42 PolarHBondContact O-N 3.3Å; V39-L43 WeakPolarHBondContact O-CB 3.16Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-H112 HydrophobicContact CG1-CB 4.21Å; V39-I117 HydrophobicContact CG1-CD1 4.32Å; V39-I123 HydrophobicContact CG2-CG2 3.22Å; V39-Y126 HydrophobicContact CG2-CD2 4.03Å; V39-Y126 HydrophobicContact CG2-CE2 4.38Å
40L93.1Very high93.5Very high0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-64.6-36.1178-78.3178.6000112.3L22 I24 A36 A37 L43 T44 P48 V70 L128L22-L40 HydrophobicContact CB-CD2 3.97Å; I24-L40 HydrophobicContact CD1-CD1 4.18Å; I24-L40 HydrophobicContact CD1-CD2 4.04Å; I24-L40 HydrophobicContact CD1-CG 3.71Å; I24-L40 HydrophobicContact CG1-CD1 4.13Å; I24-L40 HydrophobicContact CG1-CD2 4.21Å; I24-L40 HydrophobicContact CG1-CG 4.11Å; A36-L40 PolarHBondContact O-N 3.1Å; A36-L40 VanDerWaalsContact O-N 3.14Å; A37-L40 PolarHBondContact O-N 2.79Å; L40-L43 PolarHBondContact O-N 3.02Å; L40-T44 WeakPolarHBondContact O-CB 3.31Å; L40-T44 WeakPolarHBondContact O-CG2 3.4Å; L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.23Å; L40-P48 HydrophobicContact CB-CB 4.2Å; L40-P48 HydrophobicContact CB-CG 4.43Å; L40-P48 HydrophobicContact CD1-CB 4.38Å; L40-V70 HydrophobicContact CD1-CB 4.27Å; L40-V70 HydrophobicContact CD1-CG1 3.74Å; L40-V70 HydrophobicContact CD1-CG2 3.95Å; L40-V70 WeakPolarHBondContact CD1-O 3.47Å; L40-L128 HydrophobicContact CD2-CD1 3.68Å
41E93.9Very high93.7Very high85 Ų8557.7 Ų57.740%0.39730%0.302SS..Hα-helixtrans-65.7-43.5176.1-172.8165.4-146.600111.5A37 K38 V39 L43 G45A37-E41 WeakPolarHBondContact O-CB 3.32Å; A37-E41 PolarHBondContact O-N 3.01Å; K38-E41 PolarHBondContact O-N 3.33Å; V39-E41 VanDerWaalsContact C-N 3.29Å; V39-E41 PolarHBondContact O-N 2.9Å; E41-L43 PolarHBondContact O-N 2.98Å; E41-G45 WeakPolarHBondContact O-CA 3.36Å; E41-G45 PolarHBondContact O-N 3.18Å
42Q91.8Very high93.9Very high116 Ų11658.9 Ų58.954%0.54230%0.302SS..Hα-helixtrans-63-40.6174-73.6176.1-9.200112.3K38 V39K38-Q42 WeakPolarHBondContact O-CB 3.33Å; K38-Q42 WeakPolarHBondContact O-CG 3.44Å; K38-Q42 PolarHBondContact O-N 3.24Å; V39-Q42 PolarHBondContact O-N 3.3Å
43L91.4Very high94.1Very high23 Ų2353.1 Ų53.112%0.1228%0.281CS..Hα-helixtrans-70-41.2-180-175.661.3000112.5L22 V39 L40 E41 I82 L115 I117 L128L22-L43 HydrophobicContact CD1-CD2 3.95Å; V39-L43 WeakPolarHBondContact O-CB 3.16Å; V39-L43 PolarHBondContact O-N 2.98Å; L40-L43 PolarHBondContact O-N 3.02Å; E41-L43 PolarHBondContact O-N 2.98Å; L43-I82 HydrophobicContact CD1-CG2 4.39Å; L43-I82 HydrophobicContact CD2-CG2 4.36Å; L43-I82 HydrophobicContact CG-CG2 4.34Å; L43-I82 WeakPolarHBondContact O-CD1 3.48Å; L43-L115 HydrophobicContact CD1-CB 4.31Å; L43-L115 HydrophobicContact CD1-CD1 4.32Å; L43-L115 HydrophobicContact CD2-CD1 3.93Å; L43-I117 HydrophobicContact CB-CD1 3.98Å; L43-I117 HydrophobicContact CD1-CD1 4.08Å; L43-L128 HydrophobicContact CD2-CD2 3.61Å
44T91.6Very high94.2Very high4 Ų461.8 Ų61.83%0.02531%0.313CS..Hα-helixtrans-101.8-20.9-170.564.10000114.4L22 L40 Q46 C72 V74 I82L22-T44 HydrophobicContact CD1-CG2 3.47Å; L22-T44 VanDerWaalsContact CD1-CG2 3.47Å; L40-T44 WeakPolarHBondContact O-CB 3.31Å; L40-T44 WeakPolarHBondContact O-CG2 3.4Å; L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.23Å; T44-Q46 PolarHBondContact O-N 3.45Å; T44-Q46 PolarHBondContact OG1-N 2.89Å; T44-Q46 PolarHBondContact OG1-O 3.03Å; T44-C72 HydrophobicContact CG2-CB 4.09Å; T44-C72 PolarHBondContact OG1-SG 2.89Å; T44-C72 VanDerWaalsContact OG1-SG 3.37Å; T44-V74 HydrophobicContact CG2-CG2 3.55Å; T44-I82 HydrophobicContact CG2-CD1 4.23Å
45G91.8Very high94.2Very high56 Ų5665.1 Ų65.158%0.57732%0.319SS*.SBendtrans6424.3-169.600000113.3E41E41-G45 WeakPolarHBondContact O-CA 3.36Å; E41-G45 PolarHBondContact O-N 3.18Å
46Q93.8Very high94.3Very high71 Ų7164.5 Ų64.533%0.33233%0.327SS..SBendtrans-130.6145.3-179.7-61.6-179.930.400109.9T44 P48 T73T44-Q46 PolarHBondContact O-N 3.45Å; T44-Q46 PolarHBondContact OG1-N 2.89Å; T44-Q46 PolarHBondContact OG1-O 3.03Å; Q46-P48 WeakPolarHBondContact O-CD 3.2Å; Q46-T73 PolarHBondContact OE1-O 3.27Å
47T94.8Very high94.3Very high116 Ų11666.8 Ų66.871%0.71234%0.34SS*.PPolyproline II helixtrans-67.9119.3174.6-45.80000109.9
48P96.7Very high94.3Very high12 Ų1278 Ų788%0.07838%0.381CS..PPolyproline II helixtrans-81162.8-17434.9-38.5000112.4A37 L40 Q46 V70 C72A37-P48 HydrophobicContact CB-CG 3.88Å; L40-P48 HydrophobicContact CB-CB 4.2Å; L40-P48 HydrophobicContact CB-CG 4.43Å; L40-P48 HydrophobicContact CD1-CB 4.38Å; Q46-P48 WeakPolarHBondContact O-CD 3.2Å; P48-V70 HydrophobicContact CB-CG2 3.54Å; P48-V70 HydrophobicContact CG-CG2 3.75Å; P48-C72 HydrophobicContact CB-CB 4.38Å
49V97Very high94.4Very high84 Ų8477.2 Ų77.251%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-103.7130.4-177.4-178.70000110.7V70 H71V49-V70 WeakPolarHBondContact O-CA 3.48Å; V49-H71 PolarHBondContact N-O 2.95Å; V49-H71 PolarHBondContact O-N 3.08Å; V49-H71 PolarHBondContact O-ND1 2.82Å
50F96.6Very high94.3Very high74 Ų7484.4 Ų84.433%0.32542%0.422SS..EExtended strand (participates in β ladder)trans-82.3126.2175.9-63.9-83.7000111.9L33 A37 K67 V70L33-F50 HydrophobicContact CD1-CD1 4.46Å; L33-F50 HydrophobicContact CD2-CD1 3.93Å; L33-F50 HydrophobicContact CD2-CE1 4.31Å; L33-F50 HydrophobicContact CG-CD1 3.98Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; A37-F50 HydrophobicContact CB-CE1 3.9Å; A37-F50 HydrophobicContact CB-CZ 3.68Å; F50-K67 HydrophobicContact CB-CD 3.94Å; F50-K67 HydrophobicContact CB-CG 4.29Å; F50-K67 HydrophobicContact CD1-CD 4.39Å; F50-K67 HydrophobicContact CG-CD 4.15Å; F50-V70 HydrophobicContact CD1-CB 4.35Å; F50-V70 HydrophobicContact CD1-CG2 4.39Å; F50-V70 HydrophobicContact CE1-CG2 4.37Å
51S96.1Very high94.3Very high38 Ų3887.1 Ų87.127%0.26645%0.45SS..EExtended strand (participates in β ladder)trans-92.7137.4174.9-66.80000110.9K67 I68 A69 H71S51-K67 WeakPolarHBondContact O-CA 3.4Å; S51-I68 PolarHBondContact O-N 2.75Å; S51-A69 PolarHBondContact N-O 3.08Å; S51-H71 PolarHBondContact OG-CE1 2.77Å; S51-H71 VanDerWaalsContact OG-CE1 3.31Å; S51-H71 PolarHBondContact OG-ND1 2.93Å
52K95.5Very high94.3Very high135 Ų13584.2 Ų84.259%0.58744%0.437SS*.EExtended strand (participates in β ladder)trans-99.7147.8178.8-61.2178.9-176.8178.90111.5R54 E66 K67K52-R54 PolarHBondContact O-N 2.91Å; K52-E66 CarbonylContact C-O 3.44Å; K52-E66 WeakPolarHBondContact CA-O 3.38Å; K52-K67 HydrophobicContact CG-CG 4.41Å
53A96.3Very high94.4Very high3 Ų387.5 Ų87.53%0.02544%0.444CS..PPolyproline II helixtrans-66.7129.4171.500000110.5R63 N65 E66 I68A53-R63 WeakPolarHBondContact CB-O 3.47Å; A53-N65 PolarHBondContact O-N 2.9Å; A53-E66 PolarHBondContact N-O 3.08Å; A53-I68 HydrophobicContact CB-CD1 3.97Å; A53-I68 HydrophobicContact CB-CG1 4.31Å; A53-I68 HydrophobicContact CB-CG2 3.89Å
54R94.8Very high94.5Very high186 Ų18694.5 Ų94.570%0.70247%0.469SS*.SBendtrans-76.2-32.9178.1-173.7176.8173.3-166-2.4112.5K52K52-R54 PolarHBondContact O-N 2.91Å
55Y95.1Very high94.7Very high137 Ų13799.3 Ų99.354%0.53749%0.494SS..SBendtrans-132.3156-174.8-59.4-71.1000110.9
56T95.3Very high94.8Very high87 Ų8798.8 Ų98.853%0.53448%0.477SS..  trans-85.9125168.4-590000108.5I62 R64T56-I62 WeakPolarHBondContact CA-O 3.41Å; T56-I62 WeakPolarHBondContact CG2-O 3.32Å; T56-R64 WeakPolarHBondContact OG1-CB 3.4Å; T56-R64 PolarHBondContact OG1-N 3.13Å
57V94.3Very high94.9Very high48 Ų48100.2 Ų100.229%0.29148%0.482SS..BIsolated β-bridgetrans-133.8107.8179.3-176.40000108.5S59 F60 G61 I62V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 VanDerWaalsContact CG1-OG 3.31Å; V57-S59 WeakPolarHBondContact CG1-OG 3.45Å; V57-S59 PolarHBondContact O-N 3.18Å; V57-F60 HydrophobicContact CB-CD2 4.01Å; V57-F60 HydrophobicContact CG1-CB 4.5Å; V57-F60 HydrophobicContact CG1-CD2 3.54Å; V57-F60 HydrophobicContact CG1-CE2 4.05Å; V57-F60 HydrophobicContact CG1-CG 4.22Å; V57-F60 PolarHBondContact O-N 2.84Å; V57-G61 PolarHBondContact O-N 3.42Å; V57-I62 HydrophobicContact CB-CD1 4.14Å; V57-I62 HydrophobicContact CB-CG1 3.9Å; V57-I62 HydrophobicContact CG2-CD1 4.29Å; V57-I62 HydrophobicContact CG2-CG1 4.45Å; V57-I62 PolarHBondContact N-O 2.93Å; V57-I62 PolarHBondContact O-N 2.97Å
58R94.1Very high94.9Very high242 Ų24296 Ų9691%0.91346%0.455SS*.G310 helixtrans-63.8-35.8-174-69.4-173.4-170.5173.93.2113.2F60 G61R58-F60 PolarHBondContact O-N 3.08Å; R58-G61 PolarHBondContact O-N 3.46Å
59S95.5Very high94.9Very high102 Ų10295.8 Ų95.871%0.71345%0.454SS*.G310 helixtrans-62.8-28.3179.255.80000113.3V57V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 VanDerWaalsContact CG1-OG 3.31Å; V57-S59 WeakPolarHBondContact CG1-OG 3.45Å; V57-S59 PolarHBondContact O-N 3.18Å
60F91.5Very high94.9Very high153 Ų15391.8 Ų91.867%0.67143%0.43SS*.G310 helixtrans-98.7-0.1176-58.6-43.5000113V57 R58 I62V57-F60 HydrophobicContact CB-CD2 4.01Å; V57-F60 HydrophobicContact CG1-CB 4.5Å; V57-F60 HydrophobicContact CG1-CD2 3.54Å; V57-F60 HydrophobicContact CG1-CE2 4.05Å; V57-F60 HydrophobicContact CG1-CG 4.22Å; V57-F60 PolarHBondContact O-N 2.84Å; R58-F60 PolarHBondContact O-N 3.08Å; F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 4.12Å; F60-I62 HydrophobicContact CB-CG2 4.44Å; F60-I62 HydrophobicContact CD2-CD1 4.45Å; F60-I62 PolarHBondContact O-N 2.98Å
61G92Very high94.9Very high57 Ų5791.1 Ų91.159%0.58843%0.427SS*.THydrogen-bonded Turntrans70.15.9-177.800000115.6V57 R58V57-G61 PolarHBondContact O-N 3.42Å; R58-G61 PolarHBondContact O-N 3.46Å
62I94.1Very high94.9Very high24 Ų2489.5 Ų89.512%0.12342%0.416CS..BIsolated β-bridgetrans-91.4141.1-173.560.9-179.2000113G27 T56 V57 F60 I68G27-I62 WeakPolarHBondContact O-CG2 3.37Å; T56-I62 WeakPolarHBondContact CA-O 3.41Å; T56-I62 WeakPolarHBondContact CG2-O 3.32Å; V57-I62 HydrophobicContact CB-CD1 4.14Å; V57-I62 HydrophobicContact CB-CG1 3.9Å; V57-I62 HydrophobicContact CG2-CD1 4.29Å; V57-I62 HydrophobicContact CG2-CG1 4.45Å; V57-I62 PolarHBondContact N-O 2.93Å; V57-I62 PolarHBondContact O-N 2.97Å; F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 4.12Å; F60-I62 HydrophobicContact CB-CG2 4.44Å; F60-I62 HydrophobicContact CD2-CD1 4.45Å; F60-I62 PolarHBondContact O-N 2.98Å; I62-I68 HydrophobicContact CB-CG2 4.35Å; I62-I68 HydrophobicContact CG2-CG2 3.82Å
63R93.9Very high95Very high185 Ų18585.2 Ų85.270%0.69840%0.401SS*.  trans-107.2151172.6-59.6-177.9-179.7-167.20.8111.8A53 N65 E66A53-R63 WeakPolarHBondContact CB-O 3.47Å; R63-N65 PolarHBondContact O-N 3.42Å; R63-E66 HydrophobicContact CB-CB 4.41Å; R63-E66 WeakPolarHBondContact CB-OE2 3.36Å; R63-E66 PolarHBondContact N-OE2 3.3Å; R63-E66 WeakPolarHBondContact O-CB 3.34Å; R63-E66 PolarHBondContact O-N 2.99Å; R63-E66 VanDerWaalsContact O-N 3.15Å
64R94.9Very high95Very high170 Ų17085 Ų8564%0.64240%0.4SS*.THydrogen-bonded Turntrans-56.1137.2176.4-176.2174.2-176.4-171.50.2111.1T56 E66T56-R64 WeakPolarHBondContact OG1-CB 3.4Å; T56-R64 PolarHBondContact OG1-N 3.13Å; R64-E66 PolarHBondContact O-N 3.09Å
65N94.3Very high95Very high105 Ų10583.8 Ų83.856%0.56140%0.395SS*.THydrogen-bonded Turntrans66.12.7-177.7-60.2-37000115.9A53 R63A53-N65 PolarHBondContact O-N 2.9Å; R63-N65 PolarHBondContact O-N 3.42Å
66E94.1Very high95Very high45 Ų4579.6 Ų79.621%0.2139%0.394CS..  trans-67.6142.2171.3-171.4171.1-17500110.5S29 K52 A53 R63 R64S29-E66 WeakPolarHBondContact CB-OE1 3.45Å; S29-E66 PolarHBondContact OG-OE1 3.34Å; K52-E66 CarbonylContact C-O 3.44Å; K52-E66 WeakPolarHBondContact CA-O 3.38Å; A53-E66 PolarHBondContact N-O 3.08Å; R63-E66 HydrophobicContact CB-CB 4.41Å; R63-E66 WeakPolarHBondContact CB-OE2 3.36Å; R63-E66 PolarHBondContact N-OE2 3.3Å; R63-E66 WeakPolarHBondContact O-CB 3.34Å; R63-E66 PolarHBondContact O-N 2.99Å; R63-E66 VanDerWaalsContact O-N 3.15Å; R64-E66 PolarHBondContact O-N 3.09Å
67K95.8Very high94.9Very high102 Ų10278.5 Ų78.544%0.44339%0.394SS..EExtended strand (participates in β ladder)trans-77.3124.9175-63.2177.9179.2177.70108.5S29 L33 F50 S51 K52S29-K67 WeakPolarHBondContact CA-O 3.35Å; L33-K67 HydrophobicContact CD2-CB 3.56Å; L33-K67 WeakPolarHBondContact CD2-O 3.43Å; F50-K67 HydrophobicContact CB-CD 3.94Å; F50-K67 HydrophobicContact CB-CG 4.29Å; F50-K67 HydrophobicContact CD1-CD 4.39Å; F50-K67 HydrophobicContact CG-CD 4.15Å; S51-K67 WeakPolarHBondContact O-CA 3.4Å; K52-K67 HydrophobicContact CG-CG 4.41Å
68I95.3Very high94.8Very high28 Ų2881.1 Ų81.114%0.14440%0.401CS..EExtended strand (participates in β ladder)trans-126.3-22-171.857.1164.2000114.1V26 G27 S51 A53 I62V26-I68 PolarHBondContact N-O 3Å; G27-I68 PolarHBondContact N-O 3.48Å; G27-I68 VanDerWaalsContact N-O 3.08Å; S51-I68 PolarHBondContact O-N 2.75Å; A53-I68 HydrophobicContact CB-CD1 3.97Å; A53-I68 HydrophobicContact CB-CG1 4.31Å; A53-I68 HydrophobicContact CB-CG2 3.89Å; I62-I68 HydrophobicContact CB-CG2 4.35Å; I62-I68 HydrophobicContact CG2-CG2 3.82Å
69A95.9Very high94.9Very high6 Ų669.7 Ų69.75%0.0536%0.358CS..EExtended strand (participates in β ladder)trans-146159.3-172.800000109.9I24 C25 S51I24-A69 WeakPolarHBondContact O-CA 3.49Å; I24-A69 WeakPolarHBondContact O-CB 3.34Å; C25-A69 HydrophobicContact CB-CB 4.19Å; S51-A69 PolarHBondContact N-O 3.08Å
70V96.9Very high94.8Very high0 Ų068.6 Ų68.60%034%0.342CS..EExtended strand (participates in β ladder)trans-133.4135.4178.660.90000108.4I24 L33 A36 A37 L40 P48 V49 F50I24-V70 HydrophobicContact CB-CG1 4.03Å; I24-V70 PolarHBondContact N-O 3.12Å; I24-V70 PolarHBondContact O-N 2.7Å; L33-V70 HydrophobicContact CD1-CB 4.14Å; L33-V70 HydrophobicContact CD1-CG1 4.18Å; A36-V70 HydrophobicContact CB-CG1 3.9Å; A37-V70 HydrophobicContact CB-CG2 4Å; L40-V70 HydrophobicContact CD1-CB 4.27Å; L40-V70 HydrophobicContact CD1-CG1 3.74Å; L40-V70 HydrophobicContact CD1-CG2 3.95Å; L40-V70 WeakPolarHBondContact CD1-O 3.47Å; P48-V70 HydrophobicContact CB-CG2 3.54Å; P48-V70 HydrophobicContact CG-CG2 3.75Å; V49-V70 WeakPolarHBondContact O-CA 3.48Å; F50-V70 HydrophobicContact CD1-CB 4.35Å; F50-V70 HydrophobicContact CD1-CG2 4.39Å; F50-V70 HydrophobicContact CE1-CG2 4.37Å
71H96.9Very high94.9Very high60 Ų6066.5 Ų66.528%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-139.7153.6-178.569.8-76.4000111.6L22 N23 V49 S51L22-H71 CarbonylContact O-C 3.56Å; L22-H71 WeakPolarHBondContact O-CA 3.39Å; L22-H71 VanDerWaalsContact O-CB 3.3Å; L22-H71 WeakPolarHBondContact O-CB 2.98Å; N23-H71 HydrophobicContact CB-CB 4.31Å; V49-H71 PolarHBondContact N-O 2.95Å; V49-H71 PolarHBondContact O-N 3.08Å; V49-H71 PolarHBondContact O-ND1 2.82Å; S51-H71 PolarHBondContact OG-CE1 2.77Å; S51-H71 VanDerWaalsContact OG-CE1 3.31Å; S51-H71 PolarHBondContact OG-ND1 2.93Å
72C96.9Very high95Very high5 Ų564.3 Ų64.33%0.03431%0.309CS..EExtended strand (participates in β ladder)trans-133.2142.2176.2-174.40000109.5L22 T44 P48L22-C72 PolarHBondContact N-O 3.18Å; L22-C72 PolarHBondContact O-N 3.26Å; T44-C72 HydrophobicContact CG2-CB 4.09Å; T44-C72 PolarHBondContact OG1-SG 2.89Å; T44-C72 VanDerWaalsContact OG1-SG 3.37Å; P48-C72 HydrophobicContact CB-CB 4.38Å
73T97Very high95Very high44 Ų4463.1 Ų63.127%0.2730%0.303SS..EExtended strand (participates in β ladder)trans-113.5113.3174.5-63.20000109.5K19 L20 Q46K19-T73 HydrophobicContact CB-CG2 3.88Å; K19-T73 HydrophobicContact CD-CG2 3.85Å; K19-T73 HydrophobicContact CG-CG2 4.41Å; L20-T73 CarbonylContact O-C 3.43Å; L20-T73 WeakPolarHBondContact O-CA 3.37Å; Q46-T73 PolarHBondContact OE1-O 3.27Å
74V96.3Very high95Very high0 Ų059.2 Ų59.20%029%0.293CS..EExtended strand (participates in β ladder)trans-102.2145.7178.4-167.10000109.5K19 L20 L22 T44 K78 A79 I82K19-V74 WeakPolarHBondContact CA-O 3.46Å; L20-V74 PolarHBondContact N-O 3.32Å; L20-V74 PolarHBondContact O-N 3.5Å; L22-V74 HydrophobicContact CD1-CG2 4.37Å; T44-V74 HydrophobicContact CG2-CG2 3.55Å; V74-K78 HydrophobicContact CG1-CB 3.59Å; V74-A79 HydrophobicContact CB-CB 4.24Å; V74-A79 HydrophobicContact CG1-CB 4.04Å; V74-I82 HydrophobicContact CG1-CD1 4.32Å; V74-I82 HydrophobicContact CG2-CD1 4.24Å
75R95.7Very high94.9Very high159 Ų15956.3 Ų56.360%0.629%0.285SS*.  trans-139.6161.8177.5-60.7-172.1179.9119.2-1.5110K19K19-R75 HydrophobicContact CB-CG 3.82Å
76G93.6Very high94.8Very high49 Ų4951.3 Ų51.351%0.50526%0.258SS..SBendtrans73.5-154.7178.500000112.8K78 A79 E80G76-K78 VanDerWaalsContact C-N 3.32Å; G76-K78 PolarHBondContact O-N 3.45Å; G76-A79 WeakPolarHBondContact O-CB 3.48Å; G76-A79 PolarHBondContact O-N 2.78Å; G76-E80 PolarHBondContact O-N 3.31Å
77A94.3Very high94.8Very high65 Ų6549.2 Ų49.254%0.53725%0.248SC..Hα-helixtrans-54.3-44.1-174.900000113.2A79 E80 E81A77-A79 PolarHBondContact O-N 3.39Å; A77-A79 VanDerWaalsContact O-N 3.14Å; A77-E80 WeakPolarHBondContact O-CB 3.45Å; A77-E80 PolarHBondContact O-N 3.01Å; A77-E81 PolarHBondContact O-N 3.46Å
78K92.9Very high94.7Very high103 Ų10351.4 Ų51.445%0.44826%0.258SS..Hα-helixtrans-55.9-34.1176.4-69-171.6174.4-1710113.3V74 G76 I82V74-K78 HydrophobicContact CG1-CB 3.59Å; G76-K78 VanDerWaalsContact C-N 3.32Å; G76-K78 PolarHBondContact O-N 3.45Å; K78-I82 WeakPolarHBondContact O-CB 3.32Å; K78-I82 WeakPolarHBondContact O-CD1 3.27Å; K78-I82 VanDerWaalsContact O-CG1 3.24Å; K78-I82 WeakPolarHBondContact O-CG1 3.46Å; K78-I82 PolarHBondContact O-N 3.32Å; K78-I82 VanDerWaalsContact O-N 3.11Å
79A94.6Very high94.6Very high1 Ų152.1 Ų52.11%0.00826%0.263CS..Hα-helixtrans-71.3-34.6178.400000111.5L20 V74 G76 A77 L83L20-A79 HydrophobicContact CB-CB 3.86Å; V74-A79 HydrophobicContact CB-CB 4.24Å; V74-A79 HydrophobicContact CG1-CB 4.04Å; G76-A79 WeakPolarHBondContact O-CB 3.48Å; G76-A79 PolarHBondContact O-N 2.78Å; A77-A79 PolarHBondContact O-N 3.39Å; A77-A79 VanDerWaalsContact O-N 3.14Å; A79-L83 WeakPolarHBondContact O-CB 3.41Å; A79-L83 PolarHBondContact O-N 2.81Å
80E94.3Very high94.3Very high79 Ų7957.3 Ų57.337%0.36928%0.281SS..Hα-helixtrans-71-43.9177.5-54.7-162.5132.400110.8I17 G76 A77 L83 E84 K169I17-E80 HydrophobicContact CD1-CG 3.93Å; G76-E80 PolarHBondContact O-N 3.31Å; A77-E80 WeakPolarHBondContact O-CB 3.45Å; A77-E80 PolarHBondContact O-N 3.01Å; E80-L83 PolarHBondContact O-N 3.4Å; E80-E84 WeakPolarHBondContact O-CB 3.47Å; E80-E84 PolarHBondContact O-N 2.93Å; E80-K169 IonicContact OE1-NZ 3.54Å; E80-K169 PolarHBondContact OE1-NZ 2.84Å
81E93.7Very high94.1Very high110 Ų11064.2 Ų64.251%0.51431%0.314SS..Hα-helixtrans-59.8-48176-68169.3-162.700112.4A77 L83 E84 K85A77-E81 PolarHBondContact O-N 3.46Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-E84 PolarHBondContact O-N 3.37Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 2.95Å; E81-K85 VanDerWaalsContact O-N 3.08Å
82I93.6Very high94Very high10 Ų1064.5 Ų64.55%0.05131%0.313CS..Hα-helixtrans-69.6-36.3-179.8-63.5165.2000110.7L20 L22 L43 T44 V74 K78 G86 F130L20-I82 HydrophobicContact CD2-CB 4.06Å; L20-I82 HydrophobicContact CD2-CG2 3.91Å; L22-I82 HydrophobicContact CD1-CG2 4.04Å; L43-I82 HydrophobicContact CD1-CG2 4.39Å; L43-I82 HydrophobicContact CD2-CG2 4.36Å; L43-I82 HydrophobicContact CG-CG2 4.34Å; L43-I82 WeakPolarHBondContact O-CD1 3.48Å; T44-I82 HydrophobicContact CG2-CD1 4.23Å; V74-I82 HydrophobicContact CG1-CD1 4.32Å; V74-I82 HydrophobicContact CG2-CD1 4.24Å; K78-I82 WeakPolarHBondContact O-CB 3.32Å; K78-I82 WeakPolarHBondContact O-CD1 3.27Å; K78-I82 VanDerWaalsContact O-CG1 3.24Å; K78-I82 WeakPolarHBondContact O-CG1 3.46Å; K78-I82 PolarHBondContact O-N 3.32Å; K78-I82 VanDerWaalsContact O-N 3.11Å; I82-G86 PolarHBondContact O-N 3.08Å; I82-F130 HydrophobicContact CG2-CE1 3.75Å; I82-F130 HydrophobicContact CG2-CZ 4.33Å
83L94.1Very high93.8Very high0 Ų067.9 Ų67.90%033%0.328CS..Hα-helixtrans-64.4-44175.3177.959.3000111.3I17 L20 A79 E80 E81 G86 L87 F105 F107 V132 Y170I17-L83 HydrophobicContact CD1-CD2 3.64Å; I17-L83 HydrophobicContact CG1-CD2 4.45Å; L20-L83 HydrophobicContact CD1-CD1 4.48Å; L20-L83 HydrophobicContact CD2-CB 4.37Å; A79-L83 WeakPolarHBondContact O-CB 3.41Å; A79-L83 PolarHBondContact O-N 2.81Å; E80-L83 PolarHBondContact O-N 3.4Å; E81-L83 VanDerWaalsContact C-N 3.35Å; L83-G86 PolarHBondContact O-N 3.27Å; L83-G86 VanDerWaalsContact O-N 3.16Å; L83-L87 HydrophobicContact CD1-CD1 4.04Å; L83-L87 HydrophobicContact CD1-CD2 4.48Å; L83-L87 HydrophobicContact CD1-CG 3.95Å; L83-L87 HydrophobicContact CG-CD1 3.87Å; L83-L87 HydrophobicContact CG-CG 4.24Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.43Å; L83-F105 HydrophobicContact CD2-CZ 4.41Å; L83-F107 HydrophobicContact CD1-CE1 3.81Å; L83-F107 HydrophobicContact CD1-CZ 4.05Å; L83-V132 HydrophobicContact CD1-CG2 3.51Å; L83-V132 HydrophobicContact CD2-CG1 4.24Å; L83-V132 HydrophobicContact CD2-CG2 3.89Å; L83-V132 HydrophobicContact CG-CG2 4.34Å; L83-Y170 HydrophobicContact CD2-CE2 4.27Å
84E93.5Very high93.6Very high103 Ų10366.1 Ų66.148%0.48132%0.317SS..Hα-helixtrans-61.6-44.4177.9-175.5172.8-167.900111.5E80 E81 G86 L87 K88E80-E84 WeakPolarHBondContact O-CB 3.47Å; E80-E84 PolarHBondContact O-N 2.93Å; E81-E84 PolarHBondContact O-N 3.37Å; E84-G86 VanDerWaalsContact C-N 3.32Å; E84-G86 PolarHBondContact O-N 3.4Å; E84-L87 PolarHBondContact O-N 2.86Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.74Å
85K92.9Very high93.5Very high109 Ų10971.5 Ų71.547%0.47434%0.337SS..Hα-helixtrans-57-45.6171.8-71.3177.3-179.9-176.30111.7E81 K88 V89 L115E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 2.95Å; E81-K85 VanDerWaalsContact O-N 3.08Å; K85-K88 PolarHBondContact O-N 3.06Å; K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 3.3Å; K85-L115 HydrophobicContact CB-CD2 4.24Å
86G93.2Very high93.4Very high0 Ų069 Ų690%033%0.331CS..Hα-helixtrans-66.6-38.5179.100000113.9I82 L83 E84 K88 V89 R90 F107I82-G86 PolarHBondContact O-N 3.08Å; L83-G86 PolarHBondContact O-N 3.27Å; L83-G86 VanDerWaalsContact O-N 3.16Å; E84-G86 VanDerWaalsContact C-N 3.32Å; E84-G86 PolarHBondContact O-N 3.4Å; G86-K88 VanDerWaalsContact C-N 3.35Å; G86-V89 PolarHBondContact O-N 3.41Å; G86-R90 PolarHBondContact O-N 3.23Å; G86-F107 WeakPolarHBondContact O-CE2 2.83Å
87L93.6Very high93.4Very high0 Ų071.7 Ų71.70%033%0.333CS..Hα-helixtrans-68.4-35.4176.6-72.2172.8000111.7L83 E84 V89 R90 E91 Y92 L94 F107 F166 Y170L83-L87 HydrophobicContact CD1-CD1 4.04Å; L83-L87 HydrophobicContact CD1-CD2 4.48Å; L83-L87 HydrophobicContact CD1-CG 3.95Å; L83-L87 HydrophobicContact CG-CD1 3.87Å; L83-L87 HydrophobicContact CG-CG 4.24Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.43Å; E84-L87 PolarHBondContact O-N 2.86Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.16Å; L87-R90 CarbonylContact O-C 3.5Å; L87-R90 VanDerWaalsContact O-C 3.3Å; L87-R90 WeakPolarHBondContact O-CA 3.2Å; L87-R90 PolarHBondContact O-N 3.1Å; L87-E91 PolarHBondContact O-N 2.84Å; L87-E91 VanDerWaalsContact O-N 3.08Å; L87-Y92 HydrophobicContact CB-CD1 3.84Å; L87-Y92 HydrophobicContact CB-CE1 3.95Å; L87-Y92 PolarHBondContact O-N 2.89Å; L87-L94 HydrophobicContact CD2-CD1 4.26Å; L87-F107 HydrophobicContact CD2-CD1 4.3Å; L87-F107 HydrophobicContact CD2-CE1 3.62Å; L87-F107 HydrophobicContact CD2-CZ 3.93Å; L87-F107 HydrophobicContact CG-CE1 4.23Å; L87-F107 HydrophobicContact CG-CZ 4.2Å; L87-F166 HydrophobicContact CD1-CE2 3.77Å; L87-F166 HydrophobicContact CD2-CE2 3.59Å; L87-F166 HydrophobicContact CD2-CZ 3.91Å; L87-F166 HydrophobicContact CG-CE2 4.33Å; L87-Y170 HydrophobicContact CD1-CD1 3.88Å; L87-Y170 HydrophobicContact CD1-CD2 3.97Å; L87-Y170 HydrophobicContact CD1-CE1 4.08Å; L87-Y170 HydrophobicContact CD1-CE2 4.16Å; L87-Y170 HydrophobicContact CD1-CG 3.83Å
88K93Very high93.4Very high149 Ų14971.1 Ų71.165%0.64832%0.322SS*.Hα-helixtrans-60.1-39.5174.5-172.1176.9-178.5177.40112.5E84 K85 G86 R90 E91 Y92E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.74Å; K85-K88 PolarHBondContact O-N 3.06Å; G86-K88 VanDerWaalsContact C-N 3.35Å; K88-R90 PolarHBondContact O-N 3.24Å; K88-E91 PolarHBondContact O-N 2.99Å; K88-Y92 HydrophobicContact CB-CE2 4.32Å
89V93.2Very high93.5Very high43 Ų4366.4 Ų66.426%0.26130%0.301SS..Hα-helixtrans-63.2-28.5174.4-179.70000112K85 G86 L87 I109 D114 L115K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 3.3Å; G86-V89 PolarHBondContact O-N 3.41Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.16Å; V89-I109 HydrophobicContact CB-CD1 4.15Å; V89-I109 HydrophobicContact CG1-CD1 4.32Å; V89-I109 HydrophobicContact CG1-CG2 3.93Å; V89-I109 HydrophobicContact CG2-CD1 4.4Å; V89-D114 HydrophobicContact CB-CB 4.31Å; V89-D114 HydrophobicContact CG1-CB 3.7Å; V89-D114 HydrophobicContact CG2-CB 3.56Å; V89-D114 WeakPolarHBondContact CG2-O 3.13Å; V89-L115 HydrophobicContact CG2-CD2 4.17Å
90R91.1Very high93.5Very high114 Ų11467.9 Ų67.943%0.4331%0.311SS..THydrogen-bonded Turntrans-94.511.5175.3-72.6-64.2-167.8173.6-4.2113.3G86 L87 K88 Y92 E93 F107 G108G86-R90 PolarHBondContact O-N 3.23Å; L87-R90 CarbonylContact O-C 3.5Å; L87-R90 VanDerWaalsContact O-C 3.3Å; L87-R90 WeakPolarHBondContact O-CA 3.2Å; L87-R90 PolarHBondContact O-N 3.1Å; K88-R90 PolarHBondContact O-N 3.24Å; R90-Y92 PolarHBondContact O-N 3.17Å; R90-Y92 VanDerWaalsContact O-N 3.08Å; R90-E93 PolarHBondContact O-N 2.8Å; R90-F107 HydrophobicContact CG-CD2 3.86Å; R90-F107 HydrophobicContact CG-CE2 4.26Å; R90-G108 VanDerWaalsContact CZ-O 3.23Å; R90-G108 PolarHBondContact NE-O 3.29Å; R90-G108 PolarHBondContact NH2-O 2.88Å
91E92.8Very high93.4Very high146 Ų14670.7 Ų70.768%0.68233%0.329SS*.THydrogen-bonded Turntrans5428.9-178.8-56.5-177.6156.600113.1L87 K88 E93L87-E91 PolarHBondContact O-N 2.84Å; L87-E91 VanDerWaalsContact O-N 3.08Å; K88-E91 PolarHBondContact O-N 2.99Å; E91-E93 HydrophobicContact CB-CG 4.37Å; E91-E93 PolarHBondContact O-N 2.83Å; E91-E93 VanDerWaalsContact O-N 3.13Å
92Y93.1Very high93.3Very high66 Ų6670.1 Ų70.126%0.25933%0.333SS..THydrogen-bonded Turntrans58.318.1-173.8-56.3-93000114.5L87 K88 R90 Y170 G172 I173L87-Y92 HydrophobicContact CB-CD1 3.84Å; L87-Y92 HydrophobicContact CB-CE1 3.95Å; L87-Y92 PolarHBondContact O-N 2.89Å; K88-Y92 HydrophobicContact CB-CE2 4.32Å; R90-Y92 PolarHBondContact O-N 3.17Å; R90-Y92 VanDerWaalsContact O-N 3.08Å; Y92-Y170 HydrophobicContact CE1-CD1 4.39Å; Y92-G172 CarbonylContact O-C 3.53Å; Y92-G172 VanDerWaalsContact O-CA 3.23Å; Y92-G172 WeakPolarHBondContact O-CA 3.4Å; Y92-I173 PolarHBondContact O-N 2.91Å
93E93.4Very high93.2Very high76 Ų7669.7 Ų69.736%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-95.6124.9177.3-56-161.8153.200111.4R90 E91 I173R90-E93 PolarHBondContact O-N 2.8Å; E91-E93 HydrophobicContact CB-CG 4.37Å; E91-E93 PolarHBondContact O-N 2.83Å; E91-E93 VanDerWaalsContact O-N 3.13Å; E93-I173 WeakPolarHBondContact CA-O 3.35Å; E93-I173 HydrophobicContact CG-CB 4.33Å
94L93.8Very high93.3Very high6 Ų670.6 Ų70.63%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-128.6153.6172.3-67.9-179.8000110.3L87 F99 F105 F107 F166 I173 I174 L175L87-L94 HydrophobicContact CD2-CD1 4.26Å; L94-F99 HydrophobicContact CB-CE2 4.04Å; L94-F99 HydrophobicContact CB-CZ 4.46Å; L94-F99 HydrophobicContact CD1-CE2 4.35Å; L94-F99 HydrophobicContact CD1-CZ 4.06Å; L94-F105 HydrophobicContact CD1-CD2 3.75Å; L94-F105 HydrophobicContact CD1-CE2 4.01Å; L94-F107 HydrophobicContact CD2-CB 3.82Å; L94-F107 HydrophobicContact CD2-CD1 3.94Å; L94-F107 HydrophobicContact CD2-CG 4.06Å; L94-F166 HydrophobicContact CB-CE1 4.15Å; L94-F166 HydrophobicContact CB-CZ 4.43Å; L94-F166 HydrophobicContact CD1-CD1 4.27Å; L94-F166 HydrophobicContact CD1-CD2 4.1Å; L94-F166 HydrophobicContact CD1-CE1 3.79Å; L94-F166 HydrophobicContact CD1-CE2 3.63Å; L94-F166 HydrophobicContact CD1-CG 4.41Å; L94-F166 HydrophobicContact CD1-CZ 3.46Å; L94-F166 VanDerWaalsContact CD1-CZ 3.46Å; L94-F166 HydrophobicContact CG-CE1 3.98Å; L94-F166 HydrophobicContact CG-CE2 4.39Å; L94-F166 HydrophobicContact CG-CZ 3.75Å; L94-I173 PolarHBondContact N-O 2.87Å; L94-I174 CarbonylContact O-C 3.35Å; L94-I174 VanDerWaalsContact O-CA 3.25Å; L94-I174 WeakPolarHBondContact O-CA 3.42Å; L94-L175 PolarHBondContact O-N 3.23Å
95R93.8Very high93.4Very high113 Ų11365.7 Ų65.743%0.42631%0.313SS..EExtended strand (participates in β ladder)trans-93.3154.3174.5-53.2-179175.9-155.9-3.6110.5N97 N98 F99 L175R95-N97 PolarHBondContact O-N 2.91Å; R95-N98 VanDerWaalsContact CB-OD1 3.3Å; R95-N98 WeakPolarHBondContact CB-OD1 3.39Å; R95-N98 PolarHBondContact N-OD1 2.89Å; R95-N98 VanDerWaalsContact O-CB 3.3Å; R95-N98 WeakPolarHBondContact O-CB 3.17Å; R95-N98 PolarHBondContact O-N 3.39Å; R95-N98 PolarHBondContact O-OD1 2.83Å; R95-F99 WeakPolarHBondContact O-CD2 3.11Å; R95-L175 WeakPolarHBondContact CA-O 3.43Å; R95-L175 HydrophobicContact CG-CB 4.29Å
96K93.6Very high93.5Very high106 Ų10661.1 Ų61.146%0.46130%0.296SS..G310 helixtrans-54-28.8173.1-172174.2-178-179.10113.3N98 F99 K159 M163 I174 L175K96-N98 VanDerWaalsContact C-N 3.31Å; K96-N98 PolarHBondContact O-N 3.15Å; K96-F99 PolarHBondContact O-N 3.34Å; K96-K159 WeakPolarHBondContact O-CE 3.34Å; K96-K159 PolarHBondContact O-NZ 2.76Å; K96-M163 HydrophobicContact CG-SD 3.92Å; K96-I174 HydrophobicContact CB-CG2 4.42Å; K96-L175 PolarHBondContact N-O 3.32Å
97N93.3Very high93.7Very high106 Ų10661.6 Ų61.657%0.56730%0.299SS*.G310 helixtrans-75-18.7179.7-66.4-5.8000113.3R95 F99R95-N97 PolarHBondContact O-N 2.91Å; N97-F99 PolarHBondContact O-N 3.02Å
98N94.2Very high93.7Very high54 Ų5462.8 Ų62.829%0.28931%0.31SS..G310 helixtrans-72.1-17.8175.8-6984.3000113R95 K96 F105 G106R95-N98 VanDerWaalsContact CB-OD1 3.3Å; R95-N98 WeakPolarHBondContact CB-OD1 3.39Å; R95-N98 PolarHBondContact N-OD1 2.89Å; R95-N98 VanDerWaalsContact O-CB 3.3Å; R95-N98 WeakPolarHBondContact O-CB 3.17Å; R95-N98 PolarHBondContact O-N 3.39Å; R95-N98 PolarHBondContact O-OD1 2.83Å; K96-N98 VanDerWaalsContact C-N 3.31Å; K96-N98 PolarHBondContact O-N 3.15Å; N98-F105 WeakPolarHBondContact O-CA 3.34Å; N98-G106 WeakPolarHBondContact CB-O 3.47Å; N98-G106 PolarHBondContact ND2-O 3.48Å; N98-G106 PolarHBondContact O-N 2.86Å
99F95.3Very high93.7Very high4 Ų456 Ų562%0.01828%0.281CS..BIsolated β-bridgetrans-92125.9178.3-63.3-97.5000110.6L94 R95 K96 N97 F105 K159 A162 M163 F166 I174L94-F99 HydrophobicContact CB-CE2 4.04Å; L94-F99 HydrophobicContact CB-CZ 4.46Å; L94-F99 HydrophobicContact CD1-CE2 4.35Å; L94-F99 HydrophobicContact CD1-CZ 4.06Å; R95-F99 WeakPolarHBondContact O-CD2 3.11Å; K96-F99 PolarHBondContact O-N 3.34Å; N97-F99 PolarHBondContact O-N 3.02Å; F99-F105 HydrophobicContact CD1-CB 3.59Å; F99-F105 HydrophobicContact CD1-CD1 4.38Å; F99-F105 HydrophobicContact CD1-CG 4.21Å; F99-F105 HydrophobicContact CE1-CB 3.8Å; F99-F105 HydrophobicContact CE1-CD1 4.05Å; F99-F105 AromaticContact CE1-CG 3.94Å; F99-F105 HydrophobicContact CE1-CG 3.94Å; F99-F105 HydrophobicContact CG-CB 4.07Å; F99-F105 HydrophobicContact CZ-CB 4.44Å; F99-K159 HydrophobicContact CB-CD 4.33Å; F99-K159 HydrophobicContact CB-CG 3.85Å; F99-K159 WeakPolarHBondContact O-CD 3.49Å; F99-K159 WeakPolarHBondContact O-CE 3.42Å; F99-K159 PolarHBondContact O-NZ 3Å; F99-A162 HydrophobicContact CD1-CB 4.12Å; F99-M163 HydrophobicContact CB-CG 4.27Å; F99-M163 HydrophobicContact CD1-CG 3.79Å; F99-M163 HydrophobicContact CD2-CG 3.79Å; F99-M163 HydrophobicContact CD2-SD 4.34Å; F99-M163 HydrophobicContact CE1-CG 4.03Å; F99-M163 HydrophobicContact CE2-CG 4.02Å; F99-M163 HydrophobicContact CG-CG 3.68Å; F99-M163 HydrophobicContact CZ-CG 4.14Å; F99-F166 HydrophobicContact CE1-CB 4.09Å; F99-F166 HydrophobicContact CE1-CG 4.49Å; F99-F166 HydrophobicContact CZ-CB 4.01Å; F99-F166 HydrophobicContact CZ-CD1 4.02Å; F99-F166 HydrophobicContact CZ-CG 4.02Å; F99-I174 HydrophobicContact CE2-CD1 4.04Å; F99-I174 HydrophobicContact CE2-CG1 4.35Å; F99-I174 HydrophobicContact CE2-CG2 4.45Å; F99-I174 HydrophobicContact CZ-CD1 3.99Å
100S94.6Very high93.6Very high32 Ų3261.8 Ų61.822%0.22431%0.305CS..  trans-79.1160174.565.90000112.1T102 G103 N104S100-T102 PolarHBondContact O-N 3.32Å; S100-G103 PolarHBondContact O-N 3.24Å; S100-N104 WeakPolarHBondContact CB-O 3.41Å; S100-N104 PolarHBondContact N-O 3.36Å; S100-N104 WeakPolarHBondContact OG-CA 3.49Å; S100-N104 WeakPolarHBondContact OG-CB 3.5Å; S100-N104 PolarHBondContact OG-N 3.01Å; S100-N104 PolarHBondContact OG-O 3.01Å
101D92.3Very high93.6Very high137 Ų13760.2 Ų60.273%0.73330%0.303SS*.THydrogen-bonded Turntrans-62.8-27.4177.1-60.8-30.3000112.7G103D101-G103 PolarHBondContact O-N 2.98Å
102T91.2Very high93.4Very high99 Ų9953.6 Ų53.661%0.60727%0.272SS*.THydrogen-bonded Turntrans-771.5176.1-31.50000113S100 N104 I157S100-T102 PolarHBondContact O-N 3.32Å; T102-N104 VanDerWaalsContact C-N 3.32Å; T102-N104 PolarHBondContact O-N 3.11Å; T102-I157 CarbonylContact C-O 3.53Å
103G90.6Very high93.2Very high0 Ų052.7 Ų52.70%027%0.271CS..SBendtrans76.217.1179.300000114.5S100 D101 L134 A162S100-G103 PolarHBondContact O-N 3.24Å; D101-G103 PolarHBondContact O-N 2.98Å; G103-L134 WeakPolarHBondContact O-CD1 2.88Å; G103-A162 WeakPolarHBondContact O-CB 3.21Å
104N96.3Very high93Very high20 Ų2053.5 Ų53.511%0.10728%0.278CS..  trans-94.9158.2168.7-54.5-50.4000109.5S100 T102 Y131 V132 V133 L134S100-N104 WeakPolarHBondContact CB-O 3.41Å; S100-N104 PolarHBondContact N-O 3.36Å; S100-N104 WeakPolarHBondContact OG-CA 3.49Å; S100-N104 WeakPolarHBondContact OG-CB 3.5Å; S100-N104 PolarHBondContact OG-N 3.01Å; S100-N104 PolarHBondContact OG-O 3.01Å; T102-N104 VanDerWaalsContact C-N 3.32Å; T102-N104 PolarHBondContact O-N 3.11Å; N104-Y131 HydrophobicContact CB-CE1 4.17Å; N104-V132 WeakPolarHBondContact CB-O 3.31Å; N104-V133 WeakPolarHBondContact OD1-CA 2.86Å; N104-V133 WeakPolarHBondContact OD1-CG1 3.48Å; N104-L134 PolarHBondContact OD1-N 2.95Å; N104-L134 VanDerWaalsContact OD1-N 3.08Å
105F96.2Very high92.6Very high0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-140.6160.1177.767-85.7000111.3L83 L94 N98 F99 V132 L134 W165 F166L83-F105 HydrophobicContact CD2-CZ 4.41Å; L94-F105 HydrophobicContact CD1-CD2 3.75Å; L94-F105 HydrophobicContact CD1-CE2 4.01Å; N98-F105 WeakPolarHBondContact O-CA 3.34Å; F99-F105 HydrophobicContact CD1-CB 3.59Å; F99-F105 HydrophobicContact CD1-CD1 4.38Å; F99-F105 HydrophobicContact CD1-CG 4.21Å; F99-F105 HydrophobicContact CE1-CB 3.8Å; F99-F105 HydrophobicContact CE1-CD1 4.05Å; F99-F105 AromaticContact CE1-CG 3.94Å; F99-F105 HydrophobicContact CE1-CG 3.94Å; F99-F105 HydrophobicContact CG-CB 4.07Å; F99-F105 HydrophobicContact CZ-CB 4.44Å; F105-V132 HydrophobicContact CD1-CB 4.11Å; F105-V132 HydrophobicContact CD1-CG1 4.4Å; F105-V132 HydrophobicContact CD2-CB 4.3Å; F105-V132 HydrophobicContact CD2-CG2 4.26Å; F105-V132 HydrophobicContact CE1-CB 3.77Å; F105-V132 HydrophobicContact CE1-CG1 3.68Å; F105-V132 HydrophobicContact CE1-CG2 4.31Å; F105-V132 HydrophobicContact CE2-CB 3.97Å; F105-V132 HydrophobicContact CE2-CG2 3.68Å; F105-V132 HydrophobicContact CG-CB 4.37Å; F105-V132 HydrophobicContact CZ-CB 3.69Å; F105-V132 HydrophobicContact CZ-CG1 3.76Å; F105-V132 HydrophobicContact CZ-CG2 3.7Å; F105-V132 PolarHBondContact N-O 2.92Å; F105-V132 PolarHBondContact O-N 3.45Å; F105-L134 HydrophobicContact CD1-CD1 4.28Å; F105-L134 HydrophobicContact CD1-CG 4.48Å; F105-L134 HydrophobicContact CE1-CD1 4.13Å; F105-L134 HydrophobicContact CE1-CD2 4.27Å; F105-L134 HydrophobicContact CE1-CG 4.22Å; F105-W165 HydrophobicContact CE1-CE3 4.48Å; F105-W165 AromaticContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CZ-CZ3 4.22Å; F105-F166 HydrophobicContact CE2-CD2 4.34Å; F105-F166 HydrophobicContact CZ-CD2 4.23Å
106G96.1Very high92.1Very high12 Ų1251.6 Ų51.612%0.12429%0.293CS..EExtended strand (participates in β ladder)trans-156.9160176.800000112.4N98 F130N98-G106 WeakPolarHBondContact CB-O 3.47Å; N98-G106 PolarHBondContact ND2-O 3.48Å; N98-G106 PolarHBondContact O-N 2.86Å; G106-F130 CarbonylContact C-O 3.57Å; G106-F130 WeakPolarHBondContact CA-O 3.43Å
107F95.5Very high91.7Very high11 Ų1147.8 Ų47.85%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-149.8152.2178.758.8-88000109.5L83 G86 L87 R90 L94 I109 F130L83-F107 HydrophobicContact CD1-CE1 3.81Å; L83-F107 HydrophobicContact CD1-CZ 4.05Å; G86-F107 WeakPolarHBondContact O-CE2 2.83Å; L87-F107 HydrophobicContact CD2-CD1 4.3Å; L87-F107 HydrophobicContact CD2-CE1 3.62Å; L87-F107 HydrophobicContact CD2-CZ 3.93Å; L87-F107 HydrophobicContact CG-CE1 4.23Å; L87-F107 HydrophobicContact CG-CZ 4.2Å; R90-F107 HydrophobicContact CG-CD2 3.86Å; R90-F107 HydrophobicContact CG-CE2 4.26Å; L94-F107 HydrophobicContact CD2-CB 3.82Å; L94-F107 HydrophobicContact CD2-CD1 3.94Å; L94-F107 HydrophobicContact CD2-CG 4.06Å; F107-I109 HydrophobicContact CD2-CG1 4.12Å; F107-I109 HydrophobicContact CE2-CD1 4.03Å; F107-I109 HydrophobicContact CE2-CG1 4.03Å; F107-F130 HydrophobicContact CD1-CB 4.21Å; F107-F130 HydrophobicContact CD2-CB 4.24Å; F107-F130 HydrophobicContact CD2-CD2 4.44Å; F107-F130 HydrophobicContact CD2-CG 4.47Å; F107-F130 HydrophobicContact CE1-CB 3.93Å; F107-F130 HydrophobicContact CE1-CG 4.45Å; F107-F130 HydrophobicContact CE2-CB 3.98Å; F107-F130 HydrophobicContact CE2-CD1 4.36Å; F107-F130 AromaticContact CE2-CD2 3.96Å; F107-F130 HydrophobicContact CE2-CD2 3.96Å; F107-F130 AromaticContact CE2-CG 3.86Å; F107-F130 HydrophobicContact CE2-CG 3.86Å; F107-F130 HydrophobicContact CG-CB 4.36Å; F107-F130 HydrophobicContact CZ-CB 3.82Å; F107-F130 HydrophobicContact CZ-CD1 4.01Å; F107-F130 HydrophobicContact CZ-CD2 4.4Å; F107-F130 AromaticContact CZ-CG 3.84Å; F107-F130 HydrophobicContact CZ-CG 3.84Å; F107-F130 PolarHBondContact N-O 3.14Å; F107-F130 WeakPolarHBondContact O-CB 3.48Å; F107-F130 PolarHBondContact O-N 2.96Å
108G94.7Very high91.4Very high24 Ų2452 Ų5225%0.24729%0.291CS..EExtended strand (participates in β ladder)trans-97.2153.2173.300000111R90 L128R90-G108 VanDerWaalsContact CZ-O 3.23Å; R90-G108 PolarHBondContact NE-O 3.29Å; R90-G108 PolarHBondContact NH2-O 2.88Å; G108-L128 CarbonylContact C-O 3.51Å; G108-L128 WeakPolarHBondContact CA-O 3.24Å
109I93.7Very high91.1Very high8 Ų855.1 Ų55.14%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-122.9137.5166.8-59.1-179.8000106.9V89 F107 E111 L115 G127 L128 F130V89-I109 HydrophobicContact CB-CD1 4.15Å; V89-I109 HydrophobicContact CG1-CD1 4.32Å; V89-I109 HydrophobicContact CG1-CG2 3.93Å; V89-I109 HydrophobicContact CG2-CD1 4.4Å; F107-I109 HydrophobicContact CD2-CG1 4.12Å; F107-I109 HydrophobicContact CE2-CD1 4.03Å; F107-I109 HydrophobicContact CE2-CG1 4.03Å; I109-E111 WeakPolarHBondContact CG2-O 3.15Å; I109-L115 HydrophobicContact CD1-CD1 4.47Å; I109-L115 HydrophobicContact CD1-CD2 3.75Å; I109-L115 HydrophobicContact CD1-CG 4.29Å; I109-G127 CarbonylContact O-C 3.3Å; I109-G127 WeakPolarHBondContact O-CA 3.46Å; I109-L128 PolarHBondContact N-O 3.49Å; I109-L128 PolarHBondContact O-N 2.59Å; I109-F130 HydrophobicContact CD1-CD2 4.01Å; I109-F130 HydrophobicContact CD1-CE2 3.41Å; I109-F130 VanDerWaalsContact CD1-CE2 3.41Å; I109-F130 HydrophobicContact CD1-CZ 3.97Å; I109-F130 HydrophobicContact CG1-CD2 4.19Å; I109-F130 HydrophobicContact CG1-CE2 3.99Å
110Q90.6Very high90.6Very high163 Ų16358.1 Ų58.176%0.76232%0.315SS*.SBendtrans-80.3-33.6-179.4-73.1-177.7-21.500112.5Y126 G127Q110-Y126 CarbonylContact O-C 3.53Å; Q110-G127 WeakPolarHBondContact O-CA 3.48Å; Q110-G127 PolarHBondContact O-N 3.26Å; Q110-G127 VanDerWaalsContact O-N 3.17Å
111E91.6Very high90.3Very high81 Ų8161.1 Ų61.138%0.37934%0.335SS..  trans-126.6121.6-177-51.9-166.6-179.800111I109 I113 I125I109-E111 WeakPolarHBondContact CG2-O 3.15Å; E111-I113 PolarHBondContact O-N 2.9Å; E111-I125 HydrophobicContact CB-CG2 3.88Å; E111-I125 HydrophobicContact CG-CG2 3.77Å
112H87.5Confident90Very high7 Ų758.2 Ų58.23%0.03233%0.325CS..G310 helixtrans-73.9-8.8175.566.2-88.8000113.7V39 D114 L115 G124 Y126V39-H112 HydrophobicContact CG1-CB 4.21Å; H112-D114 VanDerWaalsContact C-N 3.27Å; H112-D114 PolarHBondContact O-N 3.08Å; H112-L115 HydrophobicContact CB-CD1 4.28Å; H112-L115 WeakPolarHBondContact O-CB 3.43Å; H112-L115 PolarHBondContact O-N 3.09Å; H112-G124 PolarHBondContact CE1-O 2.92Å; H112-G124 VanDerWaalsContact CE1-O 3.24Å; H112-Y126 AromaticContact CE1-CD2 3.86Å; H112-Y126 PolarHBondContact CE1-N 3.06Å; H112-Y126 VanDerWaalsContact CE1-N 3.31Å; H112-Y126 PolarHBondContact N-O 3.29Å; H112-Y126 VanDerWaalsContact N-O 3.09Å; H112-Y126 PolarHBondContact ND1-N 3.39Å; H112-Y126 VanDerWaalsContact ND1-N 3.1Å; H112-Y126 PolarHBondContact ND1-O 3.22Å; H112-Y126 VanDerWaalsContact ND1-O 3.08Å
113I90Very high89.7Confident47 Ų4754.1 Ų54.124%0.24130%0.299CS..G310 helixtrans-65.2-37.2178.4-59.3173.5000110E111 L115 G116 Y119 I125E111-I113 PolarHBondContact O-N 2.9Å; I113-L115 PolarHBondContact O-N 3.08Å; I113-G116 PolarHBondContact O-N 3.25Å; I113-Y119 HydrophobicContact CD1-CD2 3.57Å; I113-Y119 HydrophobicContact CD1-CE2 4.28Å; I113-Y119 HydrophobicContact CD1-CG 4.26Å; I113-Y119 HydrophobicContact CG1-CD2 4.4Å; I113-I125 HydrophobicContact CD1-CD1 4Å; I113-I125 HydrophobicContact CD1-CG1 3.9Å
114D88.1Confident89.6Confident94 Ų9455.2 Ų55.250%0.50331%0.31SS..G310 helixtrans-61.2-16.6178.4-59.8-27.9000113.1V89 H112 G116V89-D114 HydrophobicContact CB-CB 4.31Å; V89-D114 HydrophobicContact CG1-CB 3.7Å; V89-D114 HydrophobicContact CG2-CB 3.56Å; V89-D114 WeakPolarHBondContact CG2-O 3.13Å; H112-D114 VanDerWaalsContact C-N 3.27Å; H112-D114 PolarHBondContact O-N 3.08Å; D114-G116 PolarHBondContact O-N 3.31Å
115L86.1Confident89.4Confident6 Ų658 Ų583%0.03132%0.324CS..G310 helixtrans-78.5-0.3173.9-61.8168.9000113.3L43 K85 V89 I109 H112 I113 L128 F130L43-L115 HydrophobicContact CD1-CB 4.31Å; L43-L115 HydrophobicContact CD1-CD1 4.32Å; L43-L115 HydrophobicContact CD2-CD1 3.93Å; K85-L115 HydrophobicContact CB-CD2 4.24Å; V89-L115 HydrophobicContact CG2-CD2 4.17Å; I109-L115 HydrophobicContact CD1-CD1 4.47Å; I109-L115 HydrophobicContact CD1-CD2 3.75Å; I109-L115 HydrophobicContact CD1-CG 4.29Å; H112-L115 HydrophobicContact CB-CD1 4.28Å; H112-L115 WeakPolarHBondContact O-CB 3.43Å; H112-L115 PolarHBondContact O-N 3.09Å; I113-L115 PolarHBondContact O-N 3.08Å; L115-L128 HydrophobicContact CD1-CD2 3.75Å; L115-F130 HydrophobicContact CD1-CE2 4.19Å; L115-F130 HydrophobicContact CD1-CZ 3.82Å; L115-F130 HydrophobicContact CD2-CZ 3.89Å
116G82.1Confident89.2Confident72 Ų7258.6 Ų58.674%0.74233%0.326SS*.THydrogen-bonded Turntrans90.620.1177.700000114.6I113 D114I113-G116 PolarHBondContact O-N 3.25Å; D114-G116 PolarHBondContact O-N 3.31Å
117I86.2Confident89.1Confident26 Ų2659.7 Ų59.713%0.13334%0.338CS..PPolyproline II helixtrans-86.6133.6173.9-59.7175.9000108.8V39 L43 Y119V39-I117 HydrophobicContact CG1-CD1 4.32Å; L43-I117 HydrophobicContact CB-CD1 3.98Å; L43-I117 HydrophobicContact CD1-CD1 4.08Å; I117-Y119 PolarHBondContact O-N 3.1Å
118K86.6Confident89Confident194 Ų19459.3 Ų59.384%0.84334%0.336SS*.PPolyproline II helixtrans-63.1131.9175.2-173.7179.8179.4-178.20109.8D120K118-D120 PolarHBondContact O-N 2.86Å
119Y87.3Confident89.1Confident121 Ų12162 Ų6248%0.47535%0.345SS..PPolyproline II helixtrans-62130.1176179.6-115.3000111.8I113 I117 P121 I125I113-Y119 HydrophobicContact CD1-CD2 3.57Å; I113-Y119 HydrophobicContact CD1-CE2 4.28Å; I113-Y119 HydrophobicContact CD1-CG 4.26Å; I113-Y119 HydrophobicContact CG1-CD2 4.4Å; I117-Y119 PolarHBondContact O-N 3.1Å; Y119-P121 HydrophobicContact CD1-CG 4.31Å; Y119-P121 HydrophobicContact CE1-CB 4.28Å; Y119-P121 HydrophobicContact CE1-CG 3.8Å; Y119-I125 HydrophobicContact CE2-CG1 4.09Å
120D86.4Confident89.2Confident66 Ų6661.8 Ų61.835%0.35334%0.344SS..  trans-120.7114.7169.2-174.6-17.3000109K118 S122 I123 G124K118-D120 PolarHBondContact O-N 2.86Å; D120-S122 PolarHBondContact O-N 2.88Å; D120-S122 VanDerWaalsContact O-N 3.1Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 3.24Å; D120-S122 PolarHBondContact OD1-OG 3.4Å; D120-I123 HydrophobicContact CB-CB 4.28Å; D120-I123 HydrophobicContact CB-CD1 4.01Å; D120-I123 HydrophobicContact CB-CG1 4.09Å; D120-I123 PolarHBondContact O-N 2.81Å; D120-G124 PolarHBondContact O-N 3.25Å
121P86.4Confident89.6Confident96 Ų9659 Ų5962%0.62333%0.327SS*.THydrogen-bonded Turntrans-55.1-27.7177-23.632000113.7Y119 I123Y119-P121 HydrophobicContact CD1-CG 4.31Å; Y119-P121 HydrophobicContact CE1-CB 4.28Å; Y119-P121 HydrophobicContact CE1-CG 3.8Å; P121-I123 VanDerWaalsContact C-N 3.3Å; P121-I123 PolarHBondContact O-N 3.28Å
122S86.2Confident89.8Confident76 Ų7655.1 Ų55.153%0.53131%0.309SS..THydrogen-bonded Turntrans-71.2-28.6-179.3-43.20000112R35 D120R35-S122 VanDerWaalsContact CD-O 3.25Å; R35-S122 WeakPolarHBondContact CD-O 3.23Å; R35-S122 VanDerWaalsContact CZ-O 3.25Å; R35-S122 PolarHBondContact NE-O 3.47Å; R35-S122 PolarHBondContact NH1-O 3.25Å; D120-S122 PolarHBondContact O-N 2.88Å; D120-S122 VanDerWaalsContact O-N 3.1Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 3.24Å; D120-S122 PolarHBondContact OD1-OG 3.4Å
123I85.9Confident90.3Very high13 Ų1355.8 Ų55.87%0.06731%0.314CS..THydrogen-bonded Turntrans-88.4-45-176.4-67.3-179.9000110.3R35 V39 D120 P121 Y126R35-I123 HydrophobicContact CB-CG2 4.41Å; V39-I123 HydrophobicContact CG2-CG2 3.22Å; D120-I123 HydrophobicContact CB-CB 4.28Å; D120-I123 HydrophobicContact CB-CD1 4.01Å; D120-I123 HydrophobicContact CB-CG1 4.09Å; D120-I123 PolarHBondContact O-N 2.81Å; P121-I123 VanDerWaalsContact C-N 3.3Å; P121-I123 PolarHBondContact O-N 3.28Å; I123-Y126 HydrophobicContact CG2-CD2 4.27Å; I123-Y126 HydrophobicContact CG2-CE2 3.77Å; I123-Y126 WeakPolarHBondContact O-CE2 3.41Å; I123-Y126 PolarHBondContact O-OH 3.2Å
124G87.9Confident90.6Very high22 Ų2253.7 Ų53.723%0.22730%0.303CS..  trans83.6-180-174.500000112.9H112 D120H112-G124 PolarHBondContact CE1-O 2.92Å; H112-G124 VanDerWaalsContact CE1-O 3.24Å; D120-G124 PolarHBondContact O-N 3.25Å
125I91.9Very high90.8Very high78 Ų7849.3 Ų49.340%0.428%0.28SS..  trans-93.8135.3-178.5-53.4178.6000109.6E111 I113 Y119E111-I125 HydrophobicContact CB-CG2 3.88Å; E111-I125 HydrophobicContact CG-CG2 3.77Å; I113-I125 HydrophobicContact CD1-CD1 4Å; I113-I125 HydrophobicContact CD1-CG1 3.9Å; Y119-I125 HydrophobicContact CE2-CG1 4.09Å
126Y93.1Very high91.2Very high13 Ų1350 Ų505%0.05128%0.282CS..  trans-130.3139.7178.5-65.5-79.6000110.9I24 V26 R32 R35 A36 V39 Q110 H112 I123I24-Y126 HydrophobicContact CG2-CD1 4.34Å; V26-Y126 HydrophobicContact CG2-CE1 4.49Å; R32-Y126 HydrophobicContact CG-CE1 3.69Å; R32-Y126 WeakPolarHBondContact CG-OH 3.25Å; R32-Y126 PolarHBondContact O-OH 2.98Å; R35-Y126 HydrophobicContact CB-CE2 4.38Å; A36-Y126 HydrophobicContact CB-CD1 4.22Å; A36-Y126 HydrophobicContact CB-CE1 4.11Å; V39-Y126 HydrophobicContact CG2-CD2 4.03Å; V39-Y126 HydrophobicContact CG2-CE2 4.38Å; Q110-Y126 CarbonylContact O-C 3.53Å; H112-Y126 AromaticContact CE1-CD2 3.86Å; H112-Y126 PolarHBondContact CE1-N 3.06Å; H112-Y126 VanDerWaalsContact CE1-N 3.31Å; H112-Y126 PolarHBondContact N-O 3.29Å; H112-Y126 VanDerWaalsContact N-O 3.09Å; H112-Y126 PolarHBondContact ND1-N 3.39Å; H112-Y126 VanDerWaalsContact ND1-N 3.1Å; H112-Y126 PolarHBondContact ND1-O 3.22Å; H112-Y126 VanDerWaalsContact ND1-O 3.08Å; I123-Y126 HydrophobicContact CG2-CD2 4.27Å; I123-Y126 HydrophobicContact CG2-CE2 3.77Å; I123-Y126 WeakPolarHBondContact O-CE2 3.41Å; I123-Y126 PolarHBondContact O-OH 3.2Å
127G93.6Very high91.7Very high36 Ų3647.7 Ų47.737%0.37125%0.254SS..  trans-76.7151.5163.700000111.7I109 Q110I109-G127 CarbonylContact O-C 3.3Å; I109-G127 WeakPolarHBondContact O-CA 3.46Å; Q110-G127 WeakPolarHBondContact O-CA 3.48Å; Q110-G127 PolarHBondContact O-N 3.26Å; Q110-G127 VanDerWaalsContact O-N 3.17Å
128L93.8Very high91.9Very high2 Ų248.4 Ų48.41%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-138.8131.8-173.9-17864.4000110.5L22 I24 L40 L43 G108 I109 L115 F130L22-L128 HydrophobicContact CB-CD1 4.19Å; L22-L128 HydrophobicContact CD2-CD2 4.26Å; I24-L128 HydrophobicContact CD1-CD1 3.99Å; I24-L128 HydrophobicContact CG1-CD1 3.38Å; L40-L128 HydrophobicContact CD2-CD1 3.68Å; L43-L128 HydrophobicContact CD2-CD2 3.61Å; G108-L128 CarbonylContact C-O 3.51Å; G108-L128 WeakPolarHBondContact CA-O 3.24Å; I109-L128 PolarHBondContact N-O 3.49Å; I109-L128 PolarHBondContact O-N 2.59Å; L115-L128 HydrophobicContact CD1-CD2 3.75Å; L128-F130 HydrophobicContact CB-CE2 4.22Å; L128-F130 HydrophobicContact CD2-CD2 4.25Å; L128-F130 HydrophobicContact CD2-CE2 3.35Å; L128-F130 HydrophobicContact CD2-CZ 3.62Å; L128-F130 HydrophobicContact CG-CD2 4.1Å; L128-F130 HydrophobicContact CG-CE2 3.63Å; L128-F130 HydrophobicContact CG-CZ 4.36Å
129D96.4Very high92.2Very high81 Ų8140.3 Ų40.343%0.43323%0.233SC..EExtended strand (participates in β ladder)trans-97.6127.5173-62.9-43.6000110.6L22 N23L22-D129 WeakPolarHBondContact CA-O 3.24Å; N23-D129 HydrophobicContact CB-CB 4.32Å; N23-D129 PolarHBondContact N-O 3.08Å; N23-D129 PolarHBondContact O-N 3.49Å
130F96.6Very high92.4Very high3 Ų338.2 Ų38.21%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-100.5125.7171.6-72.2-113000109.1L20 L22 I82 G106 F107 I109 L115 L128L20-F130 HydrophobicContact CD1-CB 4.4Å; L20-F130 HydrophobicContact CD1-CD1 3.97Å; L20-F130 HydrophobicContact CD2-CD1 4.23Å; L20-F130 HydrophobicContact CD2-CE1 4.43Å; L22-F130 HydrophobicContact CD2-CD1 3.38Å; L22-F130 HydrophobicContact CD2-CD2 4.14Å; L22-F130 HydrophobicContact CD2-CE1 3.42Å; L22-F130 VanDerWaalsContact CD2-CE1 3.42Å; L22-F130 HydrophobicContact CD2-CE2 4.16Å; L22-F130 HydrophobicContact CD2-CG 3.75Å; L22-F130 HydrophobicContact CD2-CZ 3.8Å; I82-F130 HydrophobicContact CG2-CE1 3.75Å; I82-F130 HydrophobicContact CG2-CZ 4.33Å; G106-F130 CarbonylContact C-O 3.57Å; G106-F130 WeakPolarHBondContact CA-O 3.43Å; F107-F130 HydrophobicContact CD1-CB 4.21Å; F107-F130 HydrophobicContact CD2-CB 4.24Å; F107-F130 HydrophobicContact CD2-CD2 4.44Å; F107-F130 HydrophobicContact CD2-CG 4.47Å; F107-F130 HydrophobicContact CE1-CB 3.93Å; F107-F130 HydrophobicContact CE1-CG 4.45Å; F107-F130 HydrophobicContact CE2-CB 3.98Å; F107-F130 HydrophobicContact CE2-CD1 4.36Å; F107-F130 AromaticContact CE2-CD2 3.96Å; F107-F130 HydrophobicContact CE2-CD2 3.96Å; F107-F130 AromaticContact CE2-CG 3.86Å; F107-F130 HydrophobicContact CE2-CG 3.86Å; F107-F130 HydrophobicContact CG-CB 4.36Å; F107-F130 HydrophobicContact CZ-CB 3.82Å; F107-F130 HydrophobicContact CZ-CD1 4.01Å; F107-F130 HydrophobicContact CZ-CD2 4.4Å; F107-F130 AromaticContact CZ-CG 3.84Å; F107-F130 HydrophobicContact CZ-CG 3.84Å; F107-F130 PolarHBondContact N-O 3.14Å; F107-F130 WeakPolarHBondContact O-CB 3.48Å; F107-F130 PolarHBondContact O-N 2.96Å; I109-F130 HydrophobicContact CD1-CD2 4.01Å; I109-F130 HydrophobicContact CD1-CE2 3.41Å; I109-F130 VanDerWaalsContact CD1-CE2 3.41Å; I109-F130 HydrophobicContact CD1-CZ 3.97Å; I109-F130 HydrophobicContact CG1-CD2 4.19Å; I109-F130 HydrophobicContact CG1-CE2 3.99Å; L115-F130 HydrophobicContact CD1-CE2 4.19Å; L115-F130 HydrophobicContact CD1-CZ 3.82Å; L115-F130 HydrophobicContact CD2-CZ 3.89Å; L128-F130 HydrophobicContact CB-CE2 4.22Å; L128-F130 HydrophobicContact CD2-CD2 4.25Å; L128-F130 HydrophobicContact CD2-CE2 3.35Å; L128-F130 HydrophobicContact CD2-CZ 3.62Å; L128-F130 HydrophobicContact CG-CD2 4.1Å; L128-F130 HydrophobicContact CG-CE2 3.63Å; L128-F130 HydrophobicContact CG-CZ 4.36Å
131Y97.8Very high92.8Very high104 Ų10438 Ų3841%0.40823%0.233SC..EExtended strand (participates in β ladder)trans-128.3112.6172-165.2-100.5000110.7C21 N104 V133C21-Y131 PolarHBondContact N-O 3.35Å; C21-Y131 PolarHBondContact O-N 3.17Å; N104-Y131 HydrophobicContact CB-CE1 4.17Å; Y131-V133 HydrophobicContact CD1-CG2 3.95Å; Y131-V133 HydrophobicContact CE1-CG2 3.87Å
132V96.9Very high93.1Very high0 Ų035.8 Ų35.80%022%0.224CC..EExtended strand (participates in β ladder)trans-96.6123.2-177.7-174.40000109.3I17 L20 L83 N104 F105 L134I17-V132 HydrophobicContact CG1-CG1 4.28Å; I17-V132 HydrophobicContact CG2-CG1 4.16Å; L20-V132 HydrophobicContact CD1-CG2 3.67Å; L83-V132 HydrophobicContact CD1-CG2 3.51Å; L83-V132 HydrophobicContact CD2-CG1 4.24Å; L83-V132 HydrophobicContact CD2-CG2 3.89Å; L83-V132 HydrophobicContact CG-CG2 4.34Å; N104-V132 WeakPolarHBondContact CB-O 3.31Å; F105-V132 HydrophobicContact CD1-CB 4.11Å; F105-V132 HydrophobicContact CD1-CG1 4.4Å; F105-V132 HydrophobicContact CD2-CB 4.3Å; F105-V132 HydrophobicContact CD2-CG2 4.26Å; F105-V132 HydrophobicContact CE1-CB 3.77Å; F105-V132 HydrophobicContact CE1-CG1 3.68Å; F105-V132 HydrophobicContact CE1-CG2 4.31Å; F105-V132 HydrophobicContact CE2-CB 3.97Å; F105-V132 HydrophobicContact CE2-CG2 3.68Å; F105-V132 HydrophobicContact CG-CB 4.37Å; F105-V132 HydrophobicContact CZ-CB 3.69Å; F105-V132 HydrophobicContact CZ-CG1 3.76Å; F105-V132 HydrophobicContact CZ-CG2 3.7Å; F105-V132 PolarHBondContact N-O 2.92Å; F105-V132 PolarHBondContact O-N 3.45Å; V132-L134 HydrophobicContact CG1-CD2 4.13Å
133V96.8Very high93.4Very high22 Ų2236.7 Ų36.713%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-101.7116.3172.8179.90000109R18 K19 N104 Y131R18-V133 HydrophobicContact CB-CG1 4.42Å; R18-V133 WeakPolarHBondContact CB-O 3.21Å; R18-V133 PolarHBondContact N-O 2.97Å; K19-V133 HydrophobicContact CD-CG2 4.41Å; K19-V133 HydrophobicContact CG-CB 3.72Å; K19-V133 HydrophobicContact CG-CG1 4.43Å; K19-V133 HydrophobicContact CG-CG2 3.94Å; K19-V133 PolarHBondContact N-O 3.17Å; K19-V133 PolarHBondContact O-N 3.31Å; N104-V133 WeakPolarHBondContact OD1-CA 2.86Å; N104-V133 WeakPolarHBondContact OD1-CG1 3.48Å; Y131-V133 HydrophobicContact CD1-CG2 3.95Å; Y131-V133 HydrophobicContact CE1-CG2 3.87Å
134L95.6Very high93.8Very high3 Ų340.2 Ų40.22%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-85153.9173.4-63.2-177.2000110.2L15 I17 G103 N104 F105 V132 I157 A162 W165L15-L134 HydrophobicContact CD2-CD1 4.27Å; I17-L134 HydrophobicContact CG1-CD2 4.08Å; G103-L134 WeakPolarHBondContact O-CD1 2.88Å; N104-L134 PolarHBondContact OD1-N 2.95Å; N104-L134 VanDerWaalsContact OD1-N 3.08Å; F105-L134 HydrophobicContact CD1-CD1 4.28Å; F105-L134 HydrophobicContact CD1-CG 4.48Å; F105-L134 HydrophobicContact CE1-CD1 4.13Å; F105-L134 HydrophobicContact CE1-CD2 4.27Å; F105-L134 HydrophobicContact CE1-CG 4.22Å; V132-L134 HydrophobicContact CG1-CD2 4.13Å; L134-I157 HydrophobicContact CB-CD1 3.82Å; L134-A162 HydrophobicContact CD1-CB 3.86Å; L134-W165 HydrophobicContact CD1-CD2 4.2Å; L134-W165 HydrophobicContact CD1-CE3 3.79Å; L134-W165 HydrophobicContact CD1-CZ3 4.21Å; L134-W165 HydrophobicContact CD2-CD2 4.36Å; L134-W165 HydrophobicContact CD2-CE3 3.99Å; L134-W165 HydrophobicContact CD2-CH2 3.68Å; L134-W165 HydrophobicContact CD2-CZ2 4.03Å; L134-W165 HydrophobicContact CD2-CZ3 3.67Å
135G94.1Very high94.1Very high1 Ų149 Ų491%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-157.3161.917700000111.8R16R16-G135 VanDerWaalsContact CG-O 3.27Å; R16-G135 WeakPolarHBondContact CG-O 3.48Å; R16-G135 PolarHBondContact N-O 3.49Å; R16-G135 PolarHBondContact O-N 2.94Å
136R93.8Very high94.3Very high20 Ų2055 Ų558%0.07529%0.287CS..  trans-106158.7168.8-68.6177.1168.5135.52.9110.6R13 L15 G138 F139 H155 R156 I157 E161R13-R136 WeakPolarHBondContact O-CD 3.44Å; R13-R136 PolarHBondContact O-NE 3.14Å; L15-R136 HydrophobicContact CD1-CG 4.3Å; R136-G138 PolarHBondContact O-N 3.32Å; R136-F139 HydrophobicContact CB-CD1 3.92Å; R136-F139 HydrophobicContact CB-CE1 3.69Å; R136-F139 HydrophobicContact CB-CZ 4.49Å; R136-F139 HydrophobicContact CG-CE1 4.24Å; R136-F139 WeakPolarHBondContact O-CB 3.46Å; R136-F139 WeakPolarHBondContact O-CD1 3.34Å; R136-F139 PolarHBondContact O-N 3.33Å; R136-H155 PolarHBondContact NH1-O 3.45Å; R136-R156 PolarHBondContact NH1-O 2.76Å; R136-I157 HydrophobicContact CG-CG1 4.47Å; R136-E161 IonicContact CZ-OE2 2.74Å; R136-E161 IonicContact NH1-OE2 3.25Å; R136-E161 IonicContact NH2-OE2 2.59Å; R136-E161 PolarHBondContact NH2-OE2 3.39Å
137P91.9Very high94.4Very high24 Ų2462.4 Ų62.416%0.15632%0.319CS..THydrogen-bonded Turntrans-46.4137.9159.6-27.135.9000111.2M12 E14 H155M12-P137 HydrophobicContact CE-CB 3.6Å; M12-P137 WeakPolarHBondContact O-CD 3.3Å; M12-P137 HydrophobicContact SD-CB 4.03Å; E14-P137 WeakPolarHBondContact O-CD 3.08Å; P137-H155 PolarHBondContact O-CE1 3.33Å; P137-H155 PolarHBondContact O-NE2 3.43Å
138G91.1Very high94.5Very high41 Ų4165.4 Ų65.442%0.42333%0.331SS..THydrogen-bonded Turntrans90.3-6.1-177.300000116.4R136 S140 I141R136-G138 PolarHBondContact O-N 3.32Å; G138-S140 PolarHBondContact O-N 2.86Å; G138-S140 VanDerWaalsContact O-N 3.15Å; G138-I141 WeakPolarHBondContact O-CG2 3.13Å; G138-I141 PolarHBondContact O-N 3.25Å
139F92.9Very high94.5Very high25 Ų2566.6 Ų66.611%0.1134%0.344CS..G310 helixtrans-62.4-20.3174-87.938.2000113.4R136 I141 A142 I151 H155 I157R136-F139 HydrophobicContact CB-CD1 3.92Å; R136-F139 HydrophobicContact CB-CE1 3.69Å; R136-F139 HydrophobicContact CB-CZ 4.49Å; R136-F139 HydrophobicContact CG-CE1 4.24Å; R136-F139 WeakPolarHBondContact O-CB 3.46Å; R136-F139 WeakPolarHBondContact O-CD1 3.34Å; R136-F139 PolarHBondContact O-N 3.33Å; F139-I141 PolarHBondContact O-N 3.03Å; F139-I141 VanDerWaalsContact O-N 3.1Å; F139-A142 PolarHBondContact O-N 3.1Å; F139-I151 HydrophobicContact CB-CD1 4.27Å; F139-I151 HydrophobicContact CD1-CD1 4.1Å; F139-I151 HydrophobicContact CD2-CD1 3.92Å; F139-I151 HydrophobicContact CE1-CD1 4.39Å; F139-I151 HydrophobicContact CE1-CG2 4.19Å; F139-I151 HydrophobicContact CE2-CD1 4.24Å; F139-I151 HydrophobicContact CG-CD1 3.84Å; F139-I151 HydrophobicContact CZ-CD1 4.46Å; F139-H155 AromaticContact CD1-CD2 3.71Å; F139-H155 AromaticContact CD1-NE2 3.85Å; F139-H155 AromaticContact CE1-CD2 3.52Å; F139-H155 AromaticContact CE1-NE2 3.88Å; F139-H155 WeakPolarHBondContact CE1-O 3.2Å; F139-I157 HydrophobicContact CE2-CD1 4.26Å; F139-I157 HydrophobicContact CZ-CD1 4.07Å; F139-I157 HydrophobicContact CZ-CG1 4.03Å
140S91.8Very high94.3Very high76 Ų7674 Ų7453%0.53137%0.365SS..G310 helixtrans-60.8-16.8176.557.80000113.9G138 A142 D143 K144G138-S140 PolarHBondContact O-N 2.86Å; G138-S140 VanDerWaalsContact O-N 3.15Å; S140-A142 PolarHBondContact O-N 3.12Å; S140-D143 WeakPolarHBondContact CA-OD2 3.48Å; S140-D143 PolarHBondContact O-N 3.42Å; S140-D143 VanDerWaalsContact O-N 3.08Å; S140-K144 WeakPolarHBondContact O-CB 3.38Å; S140-K144 WeakPolarHBondContact O-CG 3.3Å; S140-K144 PolarHBondContact O-N 2.92Å
141I94.4Very high94.1Very high61 Ų6175.3 Ų75.331%0.31337%0.372SS..G310 helixtrans-59.5-30.2177.8-161166.9000113G138 F139 G149 I151G138-I141 WeakPolarHBondContact O-CG2 3.13Å; G138-I141 PolarHBondContact O-N 3.25Å; F139-I141 PolarHBondContact O-N 3.03Å; F139-I141 VanDerWaalsContact O-N 3.1Å; I141-G149 PolarHBondContact O-N 2.67Å; I141-I151 HydrophobicContact CG2-CG1 4.1Å
142A93.4Very high93.8Very high51 Ų5172.6 Ų72.642%0.42138%0.376SS..G310 helixtrans-82.5-23178.300000112.8F139 S140 G149 I151F139-A142 PolarHBondContact O-N 3.1Å; S140-A142 PolarHBondContact O-N 3.12Å; A142-G149 WeakPolarHBondContact CA-O 3.46Å; A142-I151 HydrophobicContact CB-CD1 4.18Å; A142-I151 HydrophobicContact CB-CG1 4.18Å
143D92.4Very high93.5Very high95 Ų9576.5 Ų76.551%0.50841%0.409SS..THydrogen-bonded Turntrans-99.4-26.5-175.8-42.5-78000113.1R18 S140R18-D143 IonicContact CZ-OD1 3.35Å; R18-D143 IonicContact CZ-OD2 2.9Å; R18-D143 VanDerWaalsContact CZ-OD2 3.25Å; R18-D143 IonicContact NH1-OD1 3.95Å; R18-D143 IonicContact NH1-OD2 3.76Å; R18-D143 PolarHBondContact NH1-OD2 2.92Å; R18-D143 IonicContact NH2-OD1 3.71Å; R18-D143 PolarHBondContact NH2-OD1 3.42Å; R18-D143 IonicContact NH2-OD2 3.26Å; R18-D143 PolarHBondContact NH2-OD2 3.32Å; S140-D143 WeakPolarHBondContact CA-OD2 3.48Å; S140-D143 PolarHBondContact O-N 3.42Å; S140-D143 VanDerWaalsContact O-N 3.08Å
144K93.2Very high93.2Very high87 Ų8784.1 Ų84.138%0.37844%0.44SS..  trans-67.1139-175.268.5-176.9-171.71790111.3S140 R146 K147 T148S140-K144 WeakPolarHBondContact O-CB 3.38Å; S140-K144 WeakPolarHBondContact O-CG 3.3Å; S140-K144 PolarHBondContact O-N 2.92Å; K144-R146 WeakPolarHBondContact CD-O 3.42Å; K144-R146 VanDerWaalsContact CE-O 3.24Å; K144-R146 WeakPolarHBondContact CE-O 3.2Å; K144-R146 WeakPolarHBondContact CG-O 3.36Å; K144-K147 WeakPolarHBondContact CE-O 3.49Å; K144-K147 PolarHBondContact NZ-O 3.43Å; K144-T148 WeakPolarHBondContact O-CG2 3.37Å
145K95.3Very high93Very high207 Ų20786.1 Ų86.190%0.945%0.449SS*.SBendtrans-67.9-43.3178.8-175.4176.5179.2179.60113.4
146R95.4Very high92.8Very high203 Ų20392.9 Ų92.977%0.76647%0.474SS*.THydrogen-bonded Turntrans-86.4128.3-177-173.9178.8-177.4-166.31.8110.7K144K144-R146 WeakPolarHBondContact CD-O 3.42Å; K144-R146 VanDerWaalsContact CE-O 3.24Å; K144-R146 WeakPolarHBondContact CE-O 3.2Å; K144-R146 WeakPolarHBondContact CG-O 3.36Å
147K94.4Very high92.8Very high168 Ų16892.4 Ų92.473%0.7347%0.473SS*.THydrogen-bonded Turntrans54.450.1179.6-64.6-176.8174.1-173.60112.2K144K144-K147 WeakPolarHBondContact CE-O 3.49Å; K144-K147 PolarHBondContact NZ-O 3.43Å
148T95.4Very high92.9Very high99 Ų9999.3 Ų99.361%0.60750%0.496SS*.  trans-52.8140.8173.838.90000110.9K144K144-T148 WeakPolarHBondContact O-CG2 3.37Å
149G94.1Very high93Very high28 Ų2899.5 Ų99.529%0.28949%0.485SS..  trans-142.5168175.900000111.4I141 A142I141-G149 PolarHBondContact O-N 2.67Å; A142-G149 WeakPolarHBondContact CA-O 3.46Å
150R93.1Very high93Very high235 Ų235103.8 Ų103.889%0.88751%0.506SS*.PPolyproline II helixtrans-93.7144.1175.9-65.5-178.8179.8-179.1-0110.4G152R150-G152 PolarHBondContact O-N 3.28Å
151I92.8Very high93Very high31 Ų31103 Ų10316%0.15949%0.493CS..PPolyproline II helixtrans-71.4119.4172.6-58.7167.8000108.2F139 I141 A142 H155 R156F139-I151 HydrophobicContact CB-CD1 4.27Å; F139-I151 HydrophobicContact CD1-CD1 4.1Å; F139-I151 HydrophobicContact CD2-CD1 3.92Å; F139-I151 HydrophobicContact CE1-CD1 4.39Å; F139-I151 HydrophobicContact CE1-CG2 4.19Å; F139-I151 HydrophobicContact CE2-CD1 4.24Å; F139-I151 HydrophobicContact CG-CD1 3.84Å; F139-I151 HydrophobicContact CZ-CD1 4.46Å; I141-I151 HydrophobicContact CG2-CG1 4.1Å; A142-I151 HydrophobicContact CB-CD1 4.18Å; A142-I151 HydrophobicContact CB-CG1 4.18Å; I151-H155 HydrophobicContact CG2-CB 3.97Å; I151-R156 HydrophobicContact CB-CG 4.4Å; I151-R156 HydrophobicContact CG2-CG 3.81Å; I151-R156 PolarHBondContact O-NE 3.43Å; I151-R156 VanDerWaalsContact O-NE 3.09Å; I151-R156 PolarHBondContact O-NH2 2.93Å
152G91.8Very high93Very high47 Ų47100 Ų10049%0.48548%0.479SS..PPolyproline II helixtrans-62.3148.3178.300000112R150 K154 H155 R156R150-G152 PolarHBondContact O-N 3.28Å; G152-K154 VanDerWaalsContact C-N 3.26Å; G152-K154 PolarHBondContact O-N 2.93Å; G152-H155 PolarHBondContact O-N 3.32Å; G152-R156 PolarHBondContact O-N 3.4Å
153A90.1Very high93Very high83 Ų8398.8 Ų98.869%0.68646%0.464SS*.THydrogen-bonded Turntrans-55.9-38-173.200000113.5H155 R156A153-H155 PolarHBondContact O-N 3.37Å; A153-R156 PolarHBondContact O-N 3.49Å
154K89.4Confident93.1Very high181 Ų181101.7 Ų101.779%0.78747%0.468SS*.THydrogen-bonded Turntrans-68.5-19.1177.3-63.5-178.4-179.9177.70114G152G152-K154 VanDerWaalsContact C-N 3.26Å; G152-K154 PolarHBondContact O-N 2.93Å
155H91.2Very high93.1Very high46 Ų4698.7 Ų98.721%0.21345%0.454CS..THydrogen-bonded Turntrans-97.9-16.5-179.9-158.462.5000112.6R136 P137 F139 I151 G152 A153R136-H155 PolarHBondContact NH1-O 3.45Å; P137-H155 PolarHBondContact O-CE1 3.33Å; P137-H155 PolarHBondContact O-NE2 3.43Å; F139-H155 AromaticContact CD1-CD2 3.71Å; F139-H155 AromaticContact CD1-NE2 3.85Å; F139-H155 AromaticContact CE1-CD2 3.52Å; F139-H155 AromaticContact CE1-NE2 3.88Å; F139-H155 WeakPolarHBondContact CE1-O 3.2Å; I151-H155 HydrophobicContact CG2-CB 3.97Å; G152-H155 PolarHBondContact O-N 3.32Å; A153-H155 PolarHBondContact O-N 3.37Å
156R91.3Very high93Very high143 Ų14388.9 Ų88.954%0.5441%0.412SS..SBendtrans-64.9153.4172.6-63.5-177.8-170-178.30.2110.2R136 I151 G152 A153R136-R156 PolarHBondContact NH1-O 2.76Å; I151-R156 HydrophobicContact CB-CG 4.4Å; I151-R156 HydrophobicContact CG2-CG 3.81Å; I151-R156 PolarHBondContact O-NE 3.43Å; I151-R156 VanDerWaalsContact O-NE 3.09Å; I151-R156 PolarHBondContact O-NH2 2.93Å; G152-R156 PolarHBondContact O-N 3.4Å; A153-R156 PolarHBondContact O-N 3.49Å
157I93.3Very high93Very high10 Ų1083.4 Ų83.45%0.05140%0.395CS..PPolyproline II helixtrans-90.8134.6177.3-58.1166000107.5L15 T102 L134 R136 F139 E161 A162L15-I157 HydrophobicContact CD2-CD1 4.45Å; L15-I157 HydrophobicContact CD2-CG2 3.89Å; L15-I157 HydrophobicContact CG-CD1 4.21Å; L15-I157 HydrophobicContact CG-CG1 4.4Å; T102-I157 CarbonylContact C-O 3.53Å; L134-I157 HydrophobicContact CB-CD1 3.82Å; R136-I157 HydrophobicContact CG-CG1 4.47Å; F139-I157 HydrophobicContact CE2-CD1 4.26Å; F139-I157 HydrophobicContact CZ-CD1 4.07Å; F139-I157 HydrophobicContact CZ-CG1 4.03Å; I157-E161 HydrophobicContact CG2-CB 4.24Å; I157-A162 HydrophobicContact CG2-CB 4.32Å
158R93.4Very high92.9Very high169 Ų16982.9 Ų82.964%0.63840%0.395SS*.PPolyproline II helixtrans-93.8156.4171.9-64.4-179.7174.5-167.7-1.7110.3E160 E161 A162R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 3.37Å; R158-E161 HydrophobicContact CB-CG 4.19Å; R158-E161 WeakPolarHBondContact O-CB 3.08Å; R158-E161 PolarHBondContact O-N 2.88Å; R158-E161 VanDerWaalsContact O-N 3.12Å; R158-A162 PolarHBondContact O-N 2.58Å; R158-A162 VanDerWaalsContact O-N 3.12Å
159K93.4Very high92.7Very high44 Ų4482.1 Ų82.119%0.19138%0.383CS..Hα-helixtrans-50.4-44.7173.3-176.8168.6172.7151.30113.1K96 F99 E161 A162 M163K96-K159 WeakPolarHBondContact O-CE 3.34Å; K96-K159 PolarHBondContact O-NZ 2.76Å; F99-K159 HydrophobicContact CB-CD 4.33Å; F99-K159 HydrophobicContact CB-CG 3.85Å; F99-K159 WeakPolarHBondContact O-CD 3.49Å; F99-K159 WeakPolarHBondContact O-CE 3.42Å; F99-K159 PolarHBondContact O-NZ 3Å; K159-E161 PolarHBondContact O-N 3.43Å; K159-A162 PolarHBondContact O-N 2.85Å; K159-M163 HydrophobicContact CG-CE 4.27Å; K159-M163 WeakPolarHBondContact O-CG 3.34Å; K159-M163 PolarHBondContact O-N 3.15Å
160E92.5Very high92.6Very high115 Ų11582 Ų8254%0.53737%0.374SS..Hα-helixtrans-64.6-39179.4-64.9173-176.900113.2R158 A162 M163 R164R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 3.37Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-M163 HydrophobicContact CB-CE 4.37Å; E160-M163 HydrophobicContact CG-CE 4.08Å; E160-M163 PolarHBondContact O-N 2.77Å; E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-N 3.34Å
161E92.5Very high92.5Very high59 Ų5977.7 Ų77.728%0.27637%0.369SS..Hα-helixtrans-65.5-40.5177-65.5173.5-165.600110.8R136 I157 R158 K159 R164 W165R136-E161 IonicContact CZ-OE2 2.74Å; R136-E161 IonicContact NH1-OE2 3.25Å; R136-E161 IonicContact NH2-OE2 2.59Å; R136-E161 PolarHBondContact NH2-OE2 3.39Å; I157-E161 HydrophobicContact CG2-CB 4.24Å; R158-E161 HydrophobicContact CB-CG 4.19Å; R158-E161 WeakPolarHBondContact O-CB 3.08Å; R158-E161 PolarHBondContact O-N 2.88Å; R158-E161 VanDerWaalsContact O-N 3.12Å; K159-E161 PolarHBondContact O-N 3.43Å; E161-R164 PolarHBondContact O-N 2.99Å; E161-W165 WeakPolarHBondContact O-CB 3.47Å; E161-W165 PolarHBondContact O-N 3.24Å
162A93.9Very high92.3Very high0 Ų076.5 Ų76.50%036%0.364CS..Hα-helixtrans-65.6-38.7176.300000112.6F99 G103 L134 I157 R158 K159 E160 W165 F166F99-A162 HydrophobicContact CD1-CB 4.12Å; G103-A162 WeakPolarHBondContact O-CB 3.21Å; L134-A162 HydrophobicContact CD1-CB 3.86Å; I157-A162 HydrophobicContact CG2-CB 4.32Å; R158-A162 PolarHBondContact O-N 2.58Å; R158-A162 VanDerWaalsContact O-N 3.12Å; K159-A162 PolarHBondContact O-N 2.85Å; E160-A162 VanDerWaalsContact C-N 3.34Å; A162-W165 PolarHBondContact O-N 2.79Å; A162-F166 WeakPolarHBondContact O-CB 3.21Å; A162-F166 PolarHBondContact O-N 2.95Å
163M94.1Very high92.3Very high25 Ų2578.6 Ų78.612%0.12336%0.363CS..Hα-helixtrans-63.8-46.9175.3-73.2-171.4-6100111.6K96 F99 K159 E160 W165 F166 Q167 I174K96-M163 HydrophobicContact CG-SD 3.92Å; F99-M163 HydrophobicContact CB-CG 4.27Å; F99-M163 HydrophobicContact CD1-CG 3.79Å; F99-M163 HydrophobicContact CD2-CG 3.79Å; F99-M163 HydrophobicContact CD2-SD 4.34Å; F99-M163 HydrophobicContact CE1-CG 4.03Å; F99-M163 HydrophobicContact CE2-CG 4.02Å; F99-M163 HydrophobicContact CG-CG 3.68Å; F99-M163 HydrophobicContact CZ-CG 4.14Å; K159-M163 HydrophobicContact CG-CE 4.27Å; K159-M163 WeakPolarHBondContact O-CG 3.34Å; K159-M163 PolarHBondContact O-N 3.15Å; E160-M163 HydrophobicContact CB-CE 4.37Å; E160-M163 HydrophobicContact CG-CE 4.08Å; E160-M163 PolarHBondContact O-N 2.77Å; M163-W165 VanDerWaalsContact C-N 3.33Å; M163-W165 PolarHBondContact O-N 2.85Å; M163-F166 PolarHBondContact O-N 3.05Å; M163-Q167 WeakPolarHBondContact O-CG 3.33Å; M163-Q167 PolarHBondContact O-N 3.21Å; M163-I174 HydrophobicContact CB-CD1 3.47Å; M163-I174 VanDerWaalsContact CB-CD1 3.47Å; M163-I174 HydrophobicContact CG-CD1 3.76Å; M163-I174 WeakPolarHBondContact O-CD1 3.43Å; M163-I174 HydrophobicContact SD-CD1 4.39Å; M163-I174 HydrophobicContact SD-CG2 4.31Å
164R93.7Very high92.4Very high155 Ų15576.3 Ų76.359%0.58534%0.339SS*.Hα-helixtrans-61.7-41.8176-70.1177.1-171.2176.63.3112E160 E161 F166 Q167 Q168E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-N 3.34Å; E161-R164 PolarHBondContact O-N 2.99Å; R164-F166 VanDerWaalsContact C-N 3.33Å; R164-F166 PolarHBondContact O-N 3.3Å; R164-Q167 PolarHBondContact O-N 3.48Å; R164-Q168 WeakPolarHBondContact O-CB 3.25Å; R164-Q168 WeakPolarHBondContact O-CG 3.25Å; R164-Q168 PolarHBondContact O-N 3.48Å
165W94Very high92.5Very high25 Ų2570.6 Ų70.610%0.09532%0.317CS..Hα-helixtrans-62.3-40.2176.7178.287.1000112.2L15 I17 F105 L134 E161 A162 M163 Q168 K169 Y170L15-W165 HydrophobicContact CB-CG 3.91Å; L15-W165 HydrophobicContact CD2-CB 3.85Å; L15-W165 HydrophobicContact CD2-CG 3.99Å; L15-W165 PolarHBondContact O-NE1 3.38Å; I17-W165 HydrophobicContact CD1-CH2 3.86Å; I17-W165 HydrophobicContact CD1-CZ2 4.42Å; I17-W165 HydrophobicContact CG1-CH2 3.56Å; I17-W165 HydrophobicContact CG1-CZ2 3.99Å; F105-W165 HydrophobicContact CE1-CE3 4.48Å; F105-W165 AromaticContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CZ-CZ3 4.22Å; L134-W165 HydrophobicContact CD1-CD2 4.2Å; L134-W165 HydrophobicContact CD1-CE3 3.79Å; L134-W165 HydrophobicContact CD1-CZ3 4.21Å; L134-W165 HydrophobicContact CD2-CD2 4.36Å; L134-W165 HydrophobicContact CD2-CE3 3.99Å; L134-W165 HydrophobicContact CD2-CH2 3.68Å; L134-W165 HydrophobicContact CD2-CZ2 4.03Å; L134-W165 HydrophobicContact CD2-CZ3 3.67Å; E161-W165 WeakPolarHBondContact O-CB 3.47Å; E161-W165 PolarHBondContact O-N 3.24Å; A162-W165 PolarHBondContact O-N 2.79Å; M163-W165 VanDerWaalsContact C-N 3.33Å; M163-W165 PolarHBondContact O-N 2.85Å; W165-Q168 PolarHBondContact O-N 2.94Å; W165-K169 HydrophobicContact CH2-CD 3.71Å; W165-K169 HydrophobicContact CZ2-CD 3.29Å; W165-K169 HydrophobicContact CZ2-CG 4.48Å; W165-K169 VanDerWaalsContact O-CB 3.32Å; W165-K169 WeakPolarHBondContact O-CB 3.18Å; W165-K169 PolarHBondContact O-N 3.25Å; W165-Y170 AromaticContact CH2-CE2 3.79Å; W165-Y170 HydrophobicContact CH2-CE2 3.79Å; W165-Y170 HydrophobicContact CZ3-CD2 4.39Å; W165-Y170 AromaticContact CZ3-CE2 3.92Å; W165-Y170 HydrophobicContact CZ3-CE2 3.92Å
166F93.9Very high92.3Very high0 Ų073.5 Ų73.50%034%0.34CS..Hα-helixtrans-64.1-44.7176.3178.1-104.9000111.7L87 L94 F99 F105 A162 M163 R164 Y170 I174L87-F166 HydrophobicContact CD1-CE2 3.77Å; L87-F166 HydrophobicContact CD2-CE2 3.59Å; L87-F166 HydrophobicContact CD2-CZ 3.91Å; L87-F166 HydrophobicContact CG-CE2 4.33Å; L94-F166 HydrophobicContact CB-CE1 4.15Å; L94-F166 HydrophobicContact CB-CZ 4.43Å; L94-F166 HydrophobicContact CD1-CD1 4.27Å; L94-F166 HydrophobicContact CD1-CD2 4.1Å; L94-F166 HydrophobicContact CD1-CE1 3.79Å; L94-F166 HydrophobicContact CD1-CE2 3.63Å; L94-F166 HydrophobicContact CD1-CG 4.41Å; L94-F166 HydrophobicContact CD1-CZ 3.46Å; L94-F166 VanDerWaalsContact CD1-CZ 3.46Å; L94-F166 HydrophobicContact CG-CE1 3.98Å; L94-F166 HydrophobicContact CG-CE2 4.39Å; L94-F166 HydrophobicContact CG-CZ 3.75Å; F99-F166 HydrophobicContact CE1-CB 4.09Å; F99-F166 HydrophobicContact CE1-CG 4.49Å; F99-F166 HydrophobicContact CZ-CB 4.01Å; F99-F166 HydrophobicContact CZ-CD1 4.02Å; F99-F166 HydrophobicContact CZ-CG 4.02Å; F105-F166 HydrophobicContact CE2-CD2 4.34Å; F105-F166 HydrophobicContact CZ-CD2 4.23Å; A162-F166 WeakPolarHBondContact O-CB 3.21Å; A162-F166 PolarHBondContact O-N 2.95Å; M163-F166 PolarHBondContact O-N 3.05Å; R164-F166 VanDerWaalsContact C-N 3.33Å; R164-F166 PolarHBondContact O-N 3.3Å; F166-Y170 AromaticContact CD2-CD2 3.98Å; F166-Y170 HydrophobicContact CD2-CD2 3.98Å; F166-Y170 HydrophobicContact CE2-CD2 4.22Å; F166-Y170 PolarHBondContact O-N 3.49Å; F166-Y170 VanDerWaalsContact O-N 3.11Å; F166-I174 HydrophobicContact CD1-CD1 4.22Å; F166-I174 HydrophobicContact CD1-CG1 4.06Å
167Q93.8Very high91.6Very high88 Ų8868.2 Ų68.241%0.41133%0.33SS..Hα-helixtrans-61.5-42.7175.3-71.5174.5-32.400112.1M163 R164 D171 G172 I174M163-Q167 WeakPolarHBondContact O-CG 3.33Å; M163-Q167 PolarHBondContact O-N 3.21Å; R164-Q167 PolarHBondContact O-N 3.48Å; Q167-D171 WeakPolarHBondContact O-CA 3.49Å; Q167-D171 PolarHBondContact O-N 2.9Å; Q167-D171 VanDerWaalsContact O-N 3.12Å; Q167-G172 WeakPolarHBondContact CG-O 3.42Å; Q167-I174 HydrophobicContact CG-CD1 3.8Å; Q167-I174 HydrophobicContact CG-CG1 4.08Å
168Q93Very high90Very high157 Ų15779 Ų7973%0.73438%0.377SS*.Hα-helixtrans-74.9-36.4-178-73.9176.8-6.200113.8R164 W165R164-Q168 WeakPolarHBondContact O-CB 3.25Å; R164-Q168 WeakPolarHBondContact O-CG 3.25Å; R164-Q168 PolarHBondContact O-N 3.48Å; W165-Q168 PolarHBondContact O-N 2.94Å
169K92.3Very high89.8Confident84 Ų8474.6 Ų74.637%0.36536%0.364SS..Hα-helixtrans-84.9-34.9-174.6-173.8171.5-178.4174.50113.1E80 W165E80-K169 IonicContact OE1-NZ 3.54Å; E80-K169 PolarHBondContact OE1-NZ 2.84Å; W165-K169 HydrophobicContact CH2-CD 3.71Å; W165-K169 HydrophobicContact CZ2-CD 3.29Å; W165-K169 HydrophobicContact CZ2-CG 4.48Å; W165-K169 VanDerWaalsContact O-CB 3.32Å; W165-K169 WeakPolarHBondContact O-CB 3.18Å; W165-K169 PolarHBondContact O-N 3.25Å
170Y91.8Very high89.6Confident26 Ų2676.2 Ų76.210%0.10237%0.373CS..Hα-helixtrans-120.88.2-171.7-66.1-72.8000113.1I17 L83 L87 Y92 W165 F166 G172I17-Y170 WeakPolarHBondContact CD1-OH 3.17Å; L83-Y170 HydrophobicContact CD2-CE2 4.27Å; L87-Y170 HydrophobicContact CD1-CD1 3.88Å; L87-Y170 HydrophobicContact CD1-CD2 3.97Å; L87-Y170 HydrophobicContact CD1-CE1 4.08Å; L87-Y170 HydrophobicContact CD1-CE2 4.16Å; L87-Y170 HydrophobicContact CD1-CG 3.83Å; Y92-Y170 HydrophobicContact CE1-CD1 4.39Å; W165-Y170 AromaticContact CH2-CE2 3.79Å; W165-Y170 HydrophobicContact CH2-CE2 3.79Å; W165-Y170 HydrophobicContact CZ3-CD2 4.39Å; W165-Y170 AromaticContact CZ3-CE2 3.92Å; W165-Y170 HydrophobicContact CZ3-CE2 3.92Å; F166-Y170 AromaticContact CD2-CD2 3.98Å; F166-Y170 HydrophobicContact CD2-CD2 3.98Å; F166-Y170 HydrophobicContact CE2-CD2 4.22Å; F166-Y170 PolarHBondContact O-N 3.49Å; F166-Y170 VanDerWaalsContact O-N 3.11Å; Y170-G172 PolarHBondContact O-N 3.06Å
171D91.1Very high89.5Confident143 Ų14374 Ų7477%0.76536%0.364SS*.  trans49.430.2-173.7-62.6-45000113Q167Q167-D171 WeakPolarHBondContact O-CA 3.49Å; Q167-D171 PolarHBondContact O-N 2.9Å; Q167-D171 VanDerWaalsContact O-N 3.12Å
172G87.8Confident89.3Confident6 Ų674.9 Ų74.96%0.06237%0.369CS..  trans-78.3145.3-167.800000113.5Y92 Q167 Y170Y92-G172 CarbonylContact O-C 3.53Å; Y92-G172 VanDerWaalsContact O-CA 3.23Å; Y92-G172 WeakPolarHBondContact O-CA 3.4Å; Q167-G172 WeakPolarHBondContact CG-O 3.42Å; Y170-G172 PolarHBondContact O-N 3.06Å
173I92.3Very high89Confident92 Ų9279.6 Ų79.647%0.47239%0.392SS..EExtended strand (participates in β ladder)trans-90.3129.7179.8-59.1171.6000108.9Y92 E93 L94 L175Y92-I173 PolarHBondContact O-N 2.91Å; E93-I173 WeakPolarHBondContact CA-O 3.35Å; E93-I173 HydrophobicContact CG-CB 4.33Å; L94-I173 PolarHBondContact N-O 2.87Å; I173-L175 HydrophobicContact CG2-CD2 4.14Å
174I92.3Very high88.7Confident35 Ų3583.2 Ų83.218%0.17941%0.41CS..EExtended strand (participates in β ladder)trans-107.3107176.7-57-179.5000109.8L94 K96 F99 M163 F166 Q167L94-I174 CarbonylContact O-C 3.35Å; L94-I174 VanDerWaalsContact O-CA 3.25Å; L94-I174 WeakPolarHBondContact O-CA 3.42Å; K96-I174 HydrophobicContact CB-CG2 4.42Å; F99-I174 HydrophobicContact CE2-CD1 4.04Å; F99-I174 HydrophobicContact CE2-CG1 4.35Å; F99-I174 HydrophobicContact CE2-CG2 4.45Å; F99-I174 HydrophobicContact CZ-CD1 3.99Å; M163-I174 HydrophobicContact CB-CD1 3.47Å; M163-I174 VanDerWaalsContact CB-CD1 3.47Å; M163-I174 HydrophobicContact CG-CD1 3.76Å; M163-I174 WeakPolarHBondContact O-CD1 3.43Å; M163-I174 HydrophobicContact SD-CD1 4.39Å; M163-I174 HydrophobicContact SD-CG2 4.31Å; F166-I174 HydrophobicContact CD1-CD1 4.22Å; F166-I174 HydrophobicContact CD1-CG1 4.06Å; Q167-I174 HydrophobicContact CG-CD1 3.8Å; Q167-I174 HydrophobicContact CG-CG1 4.08Å
175L91.4Very high88.3Confident61 Ų6178.1 Ų78.132%0.31940%0.397SS..EExtended strand (participates in β ladder)trans-76.8147.4177.1-60.1176.5000111.1L94 R95 K96 I173L94-L175 PolarHBondContact O-N 3.23Å; R95-L175 WeakPolarHBondContact CA-O 3.43Å; R95-L175 HydrophobicContact CG-CB 4.29Å; K96-L175 PolarHBondContact N-O 3.32Å; I173-L175 HydrophobicContact CG2-CD2 4.14Å
176P86.7Confident87.9Confident106 Ų10682.2 Ų82.269%0.68842%0.421SS*.PPolyproline II helixtrans-59.5154173.825-32.4000111.4
177G76.8Confident87.4Confident33 Ų3389 Ų8934%0.3446%0.456SS..PPolyproline II helixtrans-61.2145.1172.700000110.3
178K59.1Low86.8Confident237 Ų23789.1 Ų89.1100%1.0346%0.46SS*.  trans-64.30164.3-112.2-171.1178.4-174.70109.7

Retrieved 178 of 178 residues in 264.1 ms (Link to these results)

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