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Putative protein-lysine deacylase ABHD14B

Acts as an atypical protein-lysine deacetylase in vitro. Catalyzes the deacetylation of lysine residues using CoA as substrate, generating acetyl-CoA and the free amine of protein-lysine residues. Additional experiments are however required to confirm the protein-lysine deacetylase activity in vivo. Has hydrolase activity towards various surrogate p-nitrophenyl (pNp) substrates, such as pNp-butyrate, pNp-acetate and pNp-octanoate in vitro, with a strong preference for pNp-acetate. May activate transcription.

AlphaFold DB , UniProt , Accession A0A087WRJ2, Species MOUSE (Mus musculus, Mouse), Gene Abhd14b, Length 151 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
1M50.9Low86.7Confident224 Ų22478 Ų78100%1.10344%0.442SS*.  0132.40-68.7171.5-166.500106.5G3M1-G3 PolarHBondContact O-N 2.74Å
2A59.4Low87.6Confident51 Ų5183.1 Ų83.142%0.42146%0.456SS..  trans-60.7132.4169.600000107.6
3G81.1Confident88.4Confident52 Ų5276.7 Ų76.754%0.53642%0.421SS..  trans-59.7146.917600000109.9M1 G26M1-G3 PolarHBondContact O-N 2.74Å; G3-G26 WeakPolarHBondContact O-CA 3.27Å; G3-G26 PolarHBondContact O-N 3.01Å
4V89.7Confident88.8Confident32 Ų3278.4 Ų78.419%0.19442%0.424CS..EExtended strand (participates in β ladder)trans-120.4142.8168.1-65.80000108.2T23 R24 Q55 A58 E59V4-T23 HydrophobicContact CB-CG2 3.85Å; V4-T23 HydrophobicContact CG2-CG2 4Å; V4-R24 WeakPolarHBondContact CA-O 3.29Å; V4-R24 WeakPolarHBondContact CB-O 3.27Å; V4-Q55 HydrophobicContact CG2-CG 4.35Å; V4-A58 HydrophobicContact CB-CB 4.21Å; V4-A58 HydrophobicContact CG1-CB 3.73Å; V4-E59 HydrophobicContact CG1-CG 3.87Å
5D92.3Very high89.1Confident76 Ų7677 Ų7741%0.40644%0.435SS..EExtended strand (participates in β ladder)trans-98.8118.1179.3-64.6-30000108.2T23 R24 S27D5-T23 CarbonylContact O-C 3.55Å; D5-T23 WeakPolarHBondContact O-CA 3.43Å; D5-R24 HydrophobicContact CB-CB 4.49Å; D5-R24 PolarHBondContact N-O 2.87Å; D5-R24 PolarHBondContact O-N 3.22Å; D5-S27 PolarHBondContact OD2-N 3.47Å; D5-S27 PolarHBondContact OD2-OG 2.84Å
6Q94.1Very high89.6Confident120 Ų12075.4 Ų75.456%0.56142%0.423SS*.EExtended strand (participates in β ladder)trans-103.8136.3179.7-68.1-177.318.100110.6E22 T23Q6-E22 WeakPolarHBondContact CA-O 3.42Å; Q6-T23 HydrophobicContact CG-CG2 3.8Å
7H94.4Very high90.1Very high99 Ų9977.2 Ų77.246%0.45843%0.431SS..EExtended strand (participates in β ladder)trans-142.8141.2-180176.648.5000110.7F20 E22H7-F20 AromaticContact CD2-CE2 3.98Å; H7-F20 AromaticContact CD2-CZ 3.9Å; H7-F20 AromaticContact NE2-CZ 3.81Å; H7-E22 HydrophobicContact CB-CB 4.49Å; H7-E22 PolarHBondContact N-O 3.23Å; H7-E22 PolarHBondContact O-N 3.14Å
8E97.7Very high90.5Very high82 Ų8272.9 Ų72.938%0.38341%0.407SS..EExtended strand (participates in β ladder)trans-121.6143.3170.3-60.6-179.2-160.900108.8F19 F20 R21 R74E8-F19 HydrophobicContact CB-CE2 4.08Å; E8-F19 HydrophobicContact CB-CZ 3.87Å; E8-F19 HydrophobicContact CG-CZ 4.12Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.37Å; E8-F20 WeakPolarHBondContact CA-O 3.37Å; E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 3.66Å; E8-R21 IonicContact OE1-NH1 2.6Å; E8-R21 PolarHBondContact OE1-NH1 3.47Å; E8-R21 IonicContact OE2-CZ 3.91Å; E8-R21 IonicContact OE2-NH1 3.48Å; E8-R21 PolarHBondContact OE2-NH1 3.33Å; E8-R21 IonicContact OE2-NH2 3.87Å; E8-R74 IonicContact OE2-NH1 3.01Å; E8-R74 PolarHBondContact OE2-NH1 3.4Å
9G97.7Very high91Very high17 Ų1769.7 Ų69.718%0.17539%0.389CS..EExtended strand (participates in β ladder)trans-163-175.9-179.900000113.3F19 F20G9-F19 WeakPolarHBondContact O-CA 3.5Å; G9-F19 VanDerWaalsContact O-CD2 3.31Å; G9-F19 WeakPolarHBondContact O-CD2 3.06Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 PolarHBondContact N-O 3.05Å; G9-F20 VanDerWaalsContact O-CD1 3.26Å; G9-F20 WeakPolarHBondContact O-CD1 3.38Å; G9-F20 PolarHBondContact O-N 3.3Å
10T98.3Very high91.4Very high86 Ų8666.9 Ų66.953%0.52837%0.372SS..EExtended strand (participates in β ladder)trans-126.7132.8175.8-60.10000108.4N17 L18T10-N17 HydrophobicContact CG2-CB 3.62Å; T10-L18 CarbonylContact C-O 3.54Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.43Å
11I98Very high91.7Very high19 Ų1964.3 Ų64.310%0.09736%0.357CS..EExtended strand (participates in β ladder)trans-111.5153.717356.1174.5000110.4V13 N17 L18 F20 V96 T99 L100I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.98Å; I11-N17 WeakPolarHBondContact O-CA 3.44Å; I11-L18 HydrophobicContact CG1-CB 4.1Å; I11-L18 PolarHBondContact N-O 3.05Å; I11-L18 PolarHBondContact O-N 3.35Å; I11-F20 HydrophobicContact CG1-CD1 4.43Å; I11-F20 HydrophobicContact CG2-CD1 3.85Å; I11-F20 HydrophobicContact CG2-CE1 3.65Å; I11-V96 HydrophobicContact CD1-CG1 4.38Å; I11-T99 HydrophobicContact CB-CG2 3.86Å; I11-T99 HydrophobicContact CG2-CG2 4.13Å; I11-L100 HydrophobicContact CD1-CD1 3.74Å; I11-L100 HydrophobicContact CD1-CD2 4.11Å; I11-L100 HydrophobicContact CD1-CG 3.67Å; I11-L100 HydrophobicContact CG2-CD2 3.63Å; I11-L100 HydrophobicContact CG2-CG 4.16Å
12K97.9Very high94Very high139 Ų13954 Ų5460%0.60431%0.306SS*.EExtended strand (participates in β ladder)trans-100111.1174.7-166.9171.3-176.51760110.1G15 Q16K12-G15 WeakPolarHBondContact CE-O 3.4Å; K12-Q16 CarbonylContact C-O 3.55Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.28Å
13V97.1Very high95.8Very high0 Ų051.8 Ų51.80%029%0.287CS..EExtended strand (participates in β ladder)trans-118.1120.1-179.6176.70000108.8I11 G15 Q16 L18 F92 A95 V96I11-V13 HydrophobicContact CD1-CG2 3.69Å; I11-V13 HydrophobicContact CG1-CG2 3.98Å; V13-G15 PolarHBondContact O-N 2.96Å; V13-G15 VanDerWaalsContact O-N 3.14Å; V13-Q16 PolarHBondContact N-O 2.93Å; V13-Q16 PolarHBondContact O-N 3.39Å; V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CB-CG 4.42Å; V13-L18 HydrophobicContact CG1-CD1 4.34Å; V13-L18 HydrophobicContact CG2-CD1 3.97Å; V13-F92 HydrophobicContact CG1-CD2 4.18Å; V13-F92 HydrophobicContact CG1-CE2 4.04Å; V13-A95 HydrophobicContact CG1-CB 3.92Å; V13-V96 HydrophobicContact CG1-CG2 3.99Å; V13-V96 HydrophobicContact CG2-CG2 3.99Å
14Q94.1Very high96.5Very high101 Ų10153.8 Ų53.847%0.47228%0.279SS..THydrogen-bonded Turntrans49.840.5-179.5-59.1-176.21.500113.2Q16 S91 A95Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 2.98Å; Q14-S91 PolarHBondContact NE2-O 3.16Å; Q14-A95 HydrophobicContact CG-CB 4.31Å
15G94.1Very high96.7Very high57 Ų5752.6 Ų52.659%0.58827%0.271SS*.THydrogen-bonded Turntrans86.9-7.9179.700000115.4K12 V13K12-G15 WeakPolarHBondContact CE-O 3.4Å; V13-G15 PolarHBondContact O-N 2.96Å; V13-G15 VanDerWaalsContact O-N 3.14Å
16Q96.2Very high96.6Very high51 Ų5149.3 Ų49.324%0.23826%0.256CS..EExtended strand (participates in β ladder)trans-110.6152.1-175.5-52.3-166.39100112.2K12 V13 Q14 A78 A79K12-Q16 CarbonylContact C-O 3.55Å; K12-Q16 VanDerWaalsContact CA-O 3.27Å; K12-Q16 WeakPolarHBondContact CA-O 3.28Å; V13-Q16 PolarHBondContact N-O 2.93Å; V13-Q16 PolarHBondContact O-N 3.39Å; Q14-Q16 VanDerWaalsContact C-N 3.33Å; Q14-Q16 PolarHBondContact O-N 2.98Å; Q16-A78 HydrophobicContact CB-CB 4.14Å; Q16-A79 PolarHBondContact NE2-O 2.82Å; Q16-A79 PolarHBondContact OE1-O 3.33Å
17N98.1Very high96Very high106 Ų10649 Ų4957%0.56727%0.266SS*.EExtended strand (participates in β ladder)trans-90.1123.5178.5-73-28.6000110.6T10 I11T10-N17 HydrophobicContact CG2-CB 3.62Å; I11-N17 WeakPolarHBondContact O-CA 3.44Å
18L98.6Very high95.1Very high0 Ų048.4 Ų48.40%029%0.287CS..EExtended strand (participates in β ladder)trans-116.4131.5172.9-58.8-179.8000110.3T10 I11 V13 P70 S75 A78 F92 V96T10-L18 CarbonylContact C-O 3.54Å; T10-L18 VanDerWaalsContact CA-O 3.28Å; T10-L18 WeakPolarHBondContact CA-O 3.43Å; I11-L18 HydrophobicContact CG1-CB 4.1Å; I11-L18 PolarHBondContact N-O 3.05Å; I11-L18 PolarHBondContact O-N 3.35Å; V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CB-CG 4.42Å; V13-L18 HydrophobicContact CG1-CD1 4.34Å; V13-L18 HydrophobicContact CG2-CD1 3.97Å; L18-P70 HydrophobicContact CD2-CG 4.04Å; L18-S75 WeakPolarHBondContact CA-OG 3.49Å; L18-A78 HydrophobicContact CD2-CB 3.77Å; L18-F92 HydrophobicContact CD1-CE2 4.05Å; L18-F92 HydrophobicContact CD1-CZ 3.6Å; L18-V96 HydrophobicContact CD1-CG2 4.21Å
19F98.8Very high94.4Very high12 Ų1248.6 Ų48.65%0.05329%0.288CS..EExtended strand (participates in β ladder)trans-78.5144.2173.2-178.8-97.1000110.9E8 G9 R21 D68 R74 S75E8-F19 HydrophobicContact CB-CE2 4.08Å; E8-F19 HydrophobicContact CB-CZ 3.87Å; E8-F19 HydrophobicContact CG-CZ 4.12Å; E8-F19 WeakPolarHBondContact OE2-CZ 3.37Å; G9-F19 WeakPolarHBondContact O-CA 3.5Å; G9-F19 VanDerWaalsContact O-CD2 3.31Å; G9-F19 WeakPolarHBondContact O-CD2 3.06Å; F19-R21 HydrophobicContact CE1-CG 3.6Å; F19-R21 HydrophobicContact CZ-CG 4.05Å; F19-D68 HydrophobicContact CB-CB 4.32Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.3Å; F19-D68 PolarHBondContact O-N 2.66Å; F19-R74 HydrophobicContact CB-CB 3.67Å; F19-R74 HydrophobicContact CD1-CB 3.85Å; F19-R74 HydrophobicContact CD1-CG 4.19Å; F19-R74 HydrophobicContact CD2-CB 4.11Å; F19-R74 HydrophobicContact CE1-CG 4.45Å; F19-R74 HydrophobicContact CG-CB 3.59Å; F19-R74 HydrophobicContact CG-CG 4.3Å; F19-S75 PolarHBondContact N-OG 3.41Å
20F98.8Very high93.8Very high13 Ų1353.3 Ų53.36%0.05732%0.316CS..EExtended strand (participates in β ladder)trans-141.9156.1173.476.5-83000112H7 E8 G9 I11 E22 V65 A66 I67 L100H7-F20 AromaticContact CD2-CE2 3.98Å; H7-F20 AromaticContact CD2-CZ 3.9Å; H7-F20 AromaticContact NE2-CZ 3.81Å; E8-F20 WeakPolarHBondContact CA-O 3.37Å; G9-F20 VanDerWaalsContact C-CD1 3.47Å; G9-F20 PolarHBondContact N-O 3.05Å; G9-F20 VanDerWaalsContact O-CD1 3.26Å; G9-F20 WeakPolarHBondContact O-CD1 3.38Å; G9-F20 PolarHBondContact O-N 3.3Å; I11-F20 HydrophobicContact CG1-CD1 4.43Å; I11-F20 HydrophobicContact CG2-CD1 3.85Å; I11-F20 HydrophobicContact CG2-CE1 3.65Å; F20-E22 HydrophobicContact CD2-CB 4.06Å; F20-E22 HydrophobicContact CE2-CB 3.87Å; F20-V65 HydrophobicContact CB-CG1 4.39Å; F20-V65 HydrophobicContact CD2-CG1 4.03Å; F20-A66 CarbonylContact C-O 3.59Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.39Å; F20-I67 HydrophobicContact CB-CG2 3.98Å; F20-L100 HydrophobicContact CD1-CD2 4.18Å; F20-L100 HydrophobicContact CD2-CD2 4.11Å; F20-L100 HydrophobicContact CE1-CD2 4.16Å; F20-L100 HydrophobicContact CE2-CD2 4.09Å; F20-L100 HydrophobicContact CG-CD2 4.16Å; F20-L100 HydrophobicContact CZ-CD2 4.12Å
21R98.7Very high93.7Very high13 Ų1352.5 Ų52.55%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-118.7135.9169.5-58.1178176.6-80.3-10108.1E8 F19 S45 Q49 L54 V65 A66E8-R21 HydrophobicContact CG-CG 4.23Å; E8-R21 IonicContact OE1-CZ 3.66Å; E8-R21 IonicContact OE1-NH1 2.6Å; E8-R21 PolarHBondContact OE1-NH1 3.47Å; E8-R21 IonicContact OE2-CZ 3.91Å; E8-R21 IonicContact OE2-NH1 3.48Å; E8-R21 PolarHBondContact OE2-NH1 3.33Å; E8-R21 IonicContact OE2-NH2 3.87Å; F19-R21 HydrophobicContact CE1-CG 3.6Å; F19-R21 HydrophobicContact CZ-CG 4.05Å; R21-S45 WeakPolarHBondContact CD-OG 3.25Å; R21-S45 PolarHBondContact NE-OG 2.91Å; R21-Q49 VanDerWaalsContact NH1-CD 3.32Å; R21-L54 HydrophobicContact CB-CD1 3.85Å; R21-V65 CarbonylContact O-C 3.48Å; R21-V65 WeakPolarHBondContact O-CA 3.44Å; R21-A66 PolarHBondContact N-O 3.27Å; R21-A66 PolarHBondContact O-N 2.96Å
22E98.4Very high93.5Very high9 Ų958.7 Ų58.74%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-129.5141.2-178.7175.3173-105.800109.8Q6 H7 F20 R24 R63 A64 V65Q6-E22 WeakPolarHBondContact CA-O 3.42Å; H7-E22 HydrophobicContact CB-CB 4.49Å; H7-E22 PolarHBondContact N-O 3.23Å; H7-E22 PolarHBondContact O-N 3.14Å; F20-E22 HydrophobicContact CD2-CB 4.06Å; F20-E22 HydrophobicContact CE2-CB 3.87Å; E22-R24 HydrophobicContact CG-CG 4.01Å; E22-R24 IonicContact OE1-CZ 3.62Å; E22-R24 IonicContact OE1-NE 3.39Å; E22-R24 PolarHBondContact OE1-NE 3.07Å; E22-R24 IonicContact OE1-NH2 3.07Å; E22-R24 PolarHBondContact OE1-NH2 2.89Å; E22-R24 VanDerWaalsContact OE1-NH2 3.07Å; E22-R24 IonicContact OE2-CZ 3.27Å; E22-R24 VanDerWaalsContact OE2-CZ 3.27Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.14Å; E22-R24 IonicContact OE2-NH2 2.91Å; E22-R24 PolarHBondContact OE2-NH2 3.24Å; E22-R63 IonicContact OE1-CZ 3.17Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 3.19Å; E22-R63 IonicContact OE1-NH2 2.79Å; E22-R63 PolarHBondContact OE1-NH2 3.26Å; E22-A64 CarbonylContact C-O 3.57Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.36Å; E22-V65 HydrophobicContact CB-CG2 4.26Å; E22-V65 HydrophobicContact CG-CG2 3.97Å
23T97.8Very high93.5Very high3 Ų354 Ų542%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-133.6128.3166.8-49.80000109V4 D5 Q6 L54 A58 A64V4-T23 HydrophobicContact CB-CG2 3.85Å; V4-T23 HydrophobicContact CG2-CG2 4Å; D5-T23 CarbonylContact O-C 3.55Å; D5-T23 WeakPolarHBondContact O-CA 3.43Å; Q6-T23 HydrophobicContact CG-CG2 3.8Å; T23-L54 WeakPolarHBondContact OG1-CB 3.2Å; T23-A58 HydrophobicContact CG2-CB 3.49Å; T23-A58 VanDerWaalsContact CG2-CB 3.49Å; T23-A64 PolarHBondContact N-O 2.88Å; T23-A64 PolarHBondContact O-N 2.91Å
24R96.1Very high93.5Very high95 Ų9554.3 Ų54.336%0.35831%0.314SS..EExtended strand (participates in β ladder)trans-114152.3-179.8-61.7-175.2-176.1-143.90110.7V4 D5 E22 R63V4-R24 WeakPolarHBondContact CA-O 3.29Å; V4-R24 WeakPolarHBondContact CB-O 3.27Å; D5-R24 HydrophobicContact CB-CB 4.49Å; D5-R24 PolarHBondContact N-O 2.87Å; D5-R24 PolarHBondContact O-N 3.22Å; E22-R24 HydrophobicContact CG-CG 4.01Å; E22-R24 IonicContact OE1-CZ 3.62Å; E22-R24 IonicContact OE1-NE 3.39Å; E22-R24 PolarHBondContact OE1-NE 3.07Å; E22-R24 IonicContact OE1-NH2 3.07Å; E22-R24 PolarHBondContact OE1-NH2 2.89Å; E22-R24 VanDerWaalsContact OE1-NH2 3.07Å; E22-R24 IonicContact OE2-CZ 3.27Å; E22-R24 VanDerWaalsContact OE2-CZ 3.27Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.14Å; E22-R24 IonicContact OE2-NH2 2.91Å; E22-R24 PolarHBondContact OE2-NH2 3.24Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.29Å
25P94.6Very high93.8Very high7 Ų749.8 Ų49.85%0.04529%0.293CS..EExtended strand (participates in β ladder)trans-52.2141.1161.5-20.232.7000109.3Q29 V31 Y62P25-Q29 HydrophobicContact CB-CB 3.94Å; P25-V31 HydrophobicContact CG-CG2 4.19Å; P25-Y62 WeakPolarHBondContact CD-O 3.48Å
26G89.3Confident94Very high7 Ų747 Ų477%0.07227%0.265CS..  trans-60.4157.5-176.200000113.5G3 G28 Q29G3-G26 WeakPolarHBondContact O-CA 3.27Å; G3-G26 PolarHBondContact O-N 3.01Å; G26-G28 PolarHBondContact O-N 2.85Å; G26-Q29 WeakPolarHBondContact O-CB 3.28Å; G26-Q29 PolarHBondContact O-N 2.88Å
27S80.4Confident94.1Very high113 Ų11344.6 Ų44.679%0.7925%0.254SS*.THydrogen-bonded Turntrans-39.8125179.4-70.50000113.7D5D5-S27 PolarHBondContact OD2-N 3.47Å; D5-S27 PolarHBondContact OD2-OG 2.84Å
28G76.6Confident94.1Very high86 Ų8639.6 Ų39.689%0.88723%0.227SC*.THydrogen-bonded Turntrans91.6-5.2179.600000115.4G26G26-G28 PolarHBondContact O-N 2.85Å
29Q82.3Confident94.2Very high87 Ų8739.7 Ų39.741%0.40723%0.227SC..PPolyproline II helixtrans-90.8136.5173.4-63.2-160.9-12.300112.2P25 G26 V31P25-Q29 HydrophobicContact CB-CB 3.94Å; G26-Q29 WeakPolarHBondContact O-CB 3.28Å; G26-Q29 PolarHBondContact O-N 2.88Å; Q29-V31 PolarHBondContact O-N 2.85Å
30P86.6Confident94.1Very high116 Ų11639.2 Ų39.275%0.75323%0.226SC*.PPolyproline II helixtrans-68.1128.6176.327.9-33.1000110.6
31V94.3Very high94.1Very high68 Ų6842.7 Ų42.741%0.41224%0.244SC..PPolyproline II helixtrans-79.4124.3171.4178.50000108.8P25 Q29 R63P25-V31 HydrophobicContact CG-CG2 4.19Å; Q29-V31 PolarHBondContact O-N 2.85Å; V31-R63 HydrophobicContact CG1-CB 3.61Å
32R95.4Very high94Very high150 Ų15052.5 Ų52.557%0.56628%0.281SS*.  trans-70.7-58.1179-64.3-17865.4-150.5-4.4111.9G61 Y62R32-G61 PolarHBondContact N-O 2.96Å; R32-Y62 HydrophobicContact CB-CD1 4.18Å; R32-Y62 HydrophobicContact CB-CE1 4.36Å; R32-Y62 PolarHBondContact NH1-OH 2.94Å
33F96.9Very high94Very high40 Ų4057.3 Ų57.318%0.17530%0.302CS..  trans-166.7170.5175.949.9-101.7000110.3V35 Y62 R63 V106 R129F33-V35 HydrophobicContact CD2-CG2 4.47Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; F33-Y62 HydrophobicContact CD1-CE1 4.47Å; F33-Y62 AromaticContact CD2-CD1 3.93Å; F33-Y62 HydrophobicContact CD2-CD1 3.93Å; F33-Y62 HydrophobicContact CD2-CE1 4.31Å; F33-Y62 HydrophobicContact CE1-CD1 4.25Å; F33-Y62 AromaticContact CE1-CE1 3.79Å; F33-Y62 HydrophobicContact CE1-CE1 3.79Å; F33-Y62 AromaticContact CE2-CD1 3.59Å; F33-Y62 HydrophobicContact CE2-CD1 3.59Å; F33-Y62 AromaticContact CE2-CE1 3.59Å; F33-Y62 HydrophobicContact CE2-CE1 3.59Å; F33-Y62 HydrophobicContact CG-CD1 4.39Å; F33-Y62 AromaticContact CZ-CD1 3.79Å; F33-Y62 HydrophobicContact CZ-CD1 3.79Å; F33-Y62 AromaticContact CZ-CE1 3.31Å; F33-Y62 HydrophobicContact CZ-CE1 3.31Å; F33-R63 PolarHBondContact O-N 3.07Å; F33-V106 HydrophobicContact CD2-CG2 4.12Å; F33-V106 HydrophobicContact CE2-CG2 3.63Å; F33-V106 HydrophobicContact CZ-CG2 4.42Å; F33-R129 VanDerWaalsContact CD1-CD 3.45Å; F33-R129 VanDerWaalsContact CG-CD 3.5Å
34S98.3Very high94Very high6 Ų657.8 Ų57.84%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-87.3144.7179.8-51.80000112.2R63 L102 P105 V106S34-R63 CarbonylContact C-O 3.51Å; S34-R63 VanDerWaalsContact CA-O 3.27Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; S34-L102 VanDerWaalsContact CB-O 3.31Å; S34-L102 WeakPolarHBondContact CB-O 3.47Å; S34-L102 PolarHBondContact OG-O 3.41Å; S34-P105 CarbonylContact O-C 3.58Å; S34-P105 VanDerWaalsContact O-CA 3.27Å; S34-P105 WeakPolarHBondContact O-CA 3.39Å; S34-V106 PolarHBondContact O-N 2.82Å
35V98.8Very high94.1Very high6 Ų653.3 Ų53.34%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-119.1117.6169.8-176.10000107.2F33 L37 L57 Y62 R63 V65 V106 I108F33-V35 HydrophobicContact CD2-CG2 4.47Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; V35-L37 HydrophobicContact CB-CD1 4.5Å; V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.37Å; V35-L37 WeakPolarHBondContact O-CD1 3.34Å; V35-L57 HydrophobicContact CB-CD1 4.18Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.47Å; V35-Y62 HydrophobicContact CG2-CG 4.32Å; V35-R63 PolarHBondContact N-O 2.8Å; V35-V65 PolarHBondContact O-N 3.33Å; V35-V106 CarbonylContact C-O 3.58Å; V35-V106 WeakPolarHBondContact CA-O 3.48Å; V35-V106 HydrophobicContact CG1-CB 4.44Å; V35-V106 HydrophobicContact CG2-CB 4.33Å; V35-I108 HydrophobicContact CG1-CD1 3.81Å; V35-I108 HydrophobicContact CG1-CG1 3.98Å
36L98.8Very high94.3Very high0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-95.6118.6175.5177.661.5000109.2L38 V65 I67 V96 V97 L102 P105 V106 V107 I108L36-L38 HydrophobicContact CD1-CD2 4.46Å; L36-L38 HydrophobicContact CD2-CD2 4.31Å; L36-L38 HydrophobicContact CG-CD2 4.13Å; L36-V65 CarbonylContact C-O 3.49Å; L36-V65 WeakPolarHBondContact CA-O 3.49Å; L36-I67 HydrophobicContact CD1-CG2 3.99Å; L36-V96 HydrophobicContact CD2-CG1 4.43Å; L36-V97 HydrophobicContact CD2-CG2 4.16Å; L36-L102 HydrophobicContact CB-CD1 4.21Å; L36-L102 HydrophobicContact CD1-CD1 4.24Å; L36-L102 HydrophobicContact CD2-CD1 4.49Å; L36-P105 HydrophobicContact CB-CB 4.44Å; L36-V106 PolarHBondContact N-O 3.18Å; L36-V107 HydrophobicContact CB-CG2 4.26Å; L36-V107 HydrophobicContact CD2-CG2 4.29Å; L36-V107 WeakPolarHBondContact O-CA 3.25Å; L36-I108 PolarHBondContact O-N 3Å
37L98.9Very high94.8Very high0 Ų059.7 Ų59.70%032%0.32CS..EExtended strand (participates in β ladder)trans-104118179.9-5889.1000109.7V35 W48 T53 L54 L57 A64 V65 A66 I67 I108V35-L37 HydrophobicContact CB-CD1 4.5Å; V35-L37 HydrophobicContact CG1-CD1 4.09Å; V35-L37 HydrophobicContact CG1-CG 4.37Å; V35-L37 WeakPolarHBondContact O-CD1 3.34Å; L37-W48 HydrophobicContact CB-CD2 4.38Å; L37-W48 HydrophobicContact CB-CG 4.25Å; L37-W48 HydrophobicContact CD2-CB 4.35Å; L37-W48 HydrophobicContact CD2-CD2 3.63Å; L37-W48 HydrophobicContact CD2-CE3 3.85Å; L37-W48 HydrophobicContact CD2-CG 3.88Å; L37-W48 HydrophobicContact CD2-CZ2 4.43Å; L37-W48 HydrophobicContact CD2-CZ3 4.34Å; L37-T53 HydrophobicContact CD2-CG2 3.73Å; L37-L54 HydrophobicContact CD1-CD2 3.71Å; L37-L54 HydrophobicContact CD2-CD2 4.26Å; L37-L57 HydrophobicContact CD1-CD1 4.06Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; L37-A64 HydrophobicContact CD1-CB 4.3Å; L37-V65 WeakPolarHBondContact CD1-O 3.38Å; L37-V65 PolarHBondContact N-O 2.9Å; L37-A66 HydrophobicContact CB-CB 4.04Å; L37-A66 WeakPolarHBondContact O-CA 3.38Å; L37-I67 PolarHBondContact O-N 3.44Å; L37-I108 HydrophobicContact CD2-CD1 4.22Å; L37-I108 HydrophobicContact CG-CD1 4.19Å
38L98.9Very high95.6Very high0 Ų056.3 Ų56.30%029%0.29CS..  trans-95.7175.7170.6-49.9180000109.7L36 W48 I67 L69 L93 V107 I108 P110L36-L38 HydrophobicContact CD1-CD2 4.46Å; L36-L38 HydrophobicContact CD2-CD2 4.31Å; L36-L38 HydrophobicContact CG-CD2 4.13Å; L38-W48 PolarHBondContact O-NE1 2.95Å; L38-I67 HydrophobicContact CD2-CD1 3.7Å; L38-I67 HydrophobicContact CD2-CG1 3.86Å; L38-L69 HydrophobicContact CD2-CD2 4.48Å; L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD2-CD2 4.12Å; L38-V107 HydrophobicContact CD1-CG1 4.03Å; L38-V107 HydrophobicContact CG-CG1 4.37Å; L38-I108 WeakPolarHBondContact CB-O 3.26Å; L38-I108 PolarHBondContact N-O 3.14Å; L38-P110 WeakPolarHBondContact O-CD 3.1Å
39H98.8Very high96.7Very high2 Ų255 Ų551%0.00926%0.261CS..  trans-138.3162.9-17767.583.9000113.2F43 I67 L69 S113H39-F43 HydrophobicContact CB-CB 4.24Å; H39-F43 PolarHBondContact CE1-O 3.37Å; H39-F43 PolarHBondContact ND1-O 2.85Å; H39-I67 PolarHBondContact CD2-O 3.2Å; H39-I67 VanDerWaalsContact CD2-O 3.25Å; H39-L69 PolarHBondContact NE2-N 3.4Å; H39-S113 WeakPolarHBondContact O-CB 3.38Å
40G97.9Very high97.4Very high3 Ų356.5 Ų56.53%0.03127%0.272CS..  trans-81168.4170.800000112.2R42 F43G40-R42 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 3.36Å; G40-R42 VanDerWaalsContact O-N 3.14Å; G40-F43 PolarHBondContact O-N 2.97Å
41I97.4Very high98Very high85 Ų8556.4 Ų56.444%0.43626%0.264SS..THydrogen-bonded Turntrans-59.2-29.4-172.7-163.3166.1000115L72 I84 L112I41-L72 HydrophobicContact CG1-CD1 4.47Å; I41-L72 HydrophobicContact CG1-CD2 4.38Å; I41-I84 HydrophobicContact CD1-CD1 3.79Å; I41-L112 HydrophobicContact CB-CB 4.17Å; I41-L112 HydrophobicContact CB-CD2 3.78Å; I41-L112 HydrophobicContact CB-CG 4.39Å; I41-L112 HydrophobicContact CG1-CD2 4.01Å
42R97.3Very high98.2Very high220 Ų22054 Ų5483%0.8325%0.252SS*.THydrogen-bonded Turntrans-92.41.3179.5-65.2-166.2-66.4-170.4-2.4114G40G40-R42 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 3.36Å; G40-R42 VanDerWaalsContact O-N 3.14Å
43F98.2Very high98.3Very high109 Ų10948.1 Ų48.148%0.47823%0.234SC..  trans-124.3178.9-173.5-57.5-69.3000110.1H39 G40 T47H39-F43 HydrophobicContact CB-CB 4.24Å; H39-F43 PolarHBondContact CE1-O 3.37Å; H39-F43 PolarHBondContact ND1-O 2.85Å; G40-F43 PolarHBondContact O-N 2.97Å; F43-T47 HydrophobicContact CB-CG2 4.34Å; F43-T47 HydrophobicContact CD1-CG2 3.69Å; F43-T47 HydrophobicContact CE1-CG2 4.39Å; F43-T47 HydrophobicContact CG-CG2 4.28Å
44S98.7Very high98.4Very high13 Ų1346.3 Ų46.39%0.09123%0.226CC..  trans-156.6-179.4178.864.20000109.9E46 T47 D68S44-E46 PolarHBondContact O-N 3.5Å; S44-E46 WeakPolarHBondContact OG-CB 3.47Å; S44-E46 PolarHBondContact OG-N 3.08Å; S44-T47 PolarHBondContact N-OG1 2.97Å; S44-T47 VanDerWaalsContact O-CB 3.3Å; S44-T47 WeakPolarHBondContact O-CB 3.38Å; S44-T47 PolarHBondContact O-N 3.36Å; S44-T47 PolarHBondContact O-OG1 2.97Å; S44-D68 WeakPolarHBondContact CB-OD1 3.38Å
45S98.6Very high98.3Very high1 Ų149.7 Ų49.71%0.00724%0.241CC..Hα-helixtrans-52.7-32169.762.20000113R21 T47 W48 Q49 D68R21-S45 WeakPolarHBondContact CD-OG 3.25Å; R21-S45 PolarHBondContact NE-OG 2.91Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 3.36Å; S45-W48 PolarHBondContact O-N 3.24Å; S45-Q49 PolarHBondContact O-N 3.26Å; S45-Q49 VanDerWaalsContact O-N 3.16Å; S45-D68 WeakPolarHBondContact CB-OD1 3.3Å; S45-D68 PolarHBondContact N-OD1 3.36Å; S45-D68 PolarHBondContact OG-OD1 3.25Å
46E98.6Very high98.3Very high97 Ų9758.1 Ų58.145%0.45327%0.272SS..Hα-helixtrans-62.5-33.1176.8-179177.2-122.800112.1S44 W48 Q49 N50S44-E46 PolarHBondContact O-N 3.5Å; S44-E46 WeakPolarHBondContact OG-CB 3.47Å; S44-E46 PolarHBondContact OG-N 3.08Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.5Å; E46-Q49 PolarHBondContact O-N 2.79Å; E46-N50 WeakPolarHBondContact O-CB 3.42Å; E46-N50 VanDerWaalsContact O-CG 3.28Å; E46-N50 PolarHBondContact O-N 3.43Å
47T98.7Very high98.2Very high51 Ų5159.7 Ų59.731%0.31328%0.28SS..Hα-helixtrans-62-43176-52.60000111F43 S44 S45 Q49 N50 L51F43-T47 HydrophobicContact CB-CG2 4.34Å; F43-T47 HydrophobicContact CD1-CG2 3.69Å; F43-T47 HydrophobicContact CE1-CG2 4.39Å; F43-T47 HydrophobicContact CG-CG2 4.28Å; S44-T47 PolarHBondContact N-OG1 2.97Å; S44-T47 VanDerWaalsContact O-CB 3.3Å; S44-T47 WeakPolarHBondContact O-CB 3.38Å; S44-T47 PolarHBondContact O-N 3.36Å; S44-T47 PolarHBondContact O-OG1 2.97Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 3.36Å; T47-Q49 VanDerWaalsContact C-N 3.34Å; T47-N50 PolarHBondContact O-N 3.15Å; T47-L51 VanDerWaalsContact O-CB 3.25Å; T47-L51 WeakPolarHBondContact O-CB 3.31Å; T47-L51 PolarHBondContact O-N 2.98Å
48W98.6Very high98.1Very high43 Ų4359.7 Ų59.716%0.16328%0.28CS..Hα-helixtrans-66.3-36.4177.1-68.5121.1000112.8L37 L38 S45 E46 L51 G52 T53 L54 A66 I108 P110L37-W48 HydrophobicContact CB-CD2 4.38Å; L37-W48 HydrophobicContact CB-CG 4.25Å; L37-W48 HydrophobicContact CD2-CB 4.35Å; L37-W48 HydrophobicContact CD2-CD2 3.63Å; L37-W48 HydrophobicContact CD2-CE3 3.85Å; L37-W48 HydrophobicContact CD2-CG 3.88Å; L37-W48 HydrophobicContact CD2-CZ2 4.43Å; L37-W48 HydrophobicContact CD2-CZ3 4.34Å; L38-W48 PolarHBondContact O-NE1 2.95Å; S45-W48 PolarHBondContact O-N 3.24Å; E46-W48 VanDerWaalsContact C-N 3.33Å; E46-W48 PolarHBondContact O-N 3.5Å; W48-L51 HydrophobicContact CE3-CD2 4.32Å; W48-L51 HydrophobicContact CZ3-CD2 4.3Å; W48-G52 PolarHBondContact O-N 3.46Å; W48-T53 HydrophobicContact CE3-CG2 3.74Å; W48-T53 HydrophobicContact CZ3-CG2 3.99Å; W48-T53 PolarHBondContact O-N 2.93Å; W48-L54 HydrophobicContact CB-CD2 4.41Å; W48-L54 HydrophobicContact CB-CG 4.2Å; W48-A66 HydrophobicContact CB-CB 4.35Å; W48-A66 HydrophobicContact CG-CB 4.46Å; W48-I108 HydrophobicContact CH2-CG2 4.18Å; W48-I108 HydrophobicContact CZ2-CG2 4.2Å; W48-P110 HydrophobicContact CZ2-CG 4.21Å
49Q98.1Very high97.9Very high59 Ų5963.7 Ų63.728%0.27630%0.299SS..Hα-helixtrans-64.8-51.5174.4-177.9173.4-66.100111.1R21 S45 E46 T47 L51 G52 L54R21-Q49 VanDerWaalsContact NH1-CD 3.32Å; S45-Q49 PolarHBondContact O-N 3.26Å; S45-Q49 VanDerWaalsContact O-N 3.16Å; E46-Q49 PolarHBondContact O-N 2.79Å; T47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 3.4Å; Q49-G52 WeakPolarHBondContact O-CA 3.49Å; Q49-G52 PolarHBondContact O-N 2.98Å; Q49-L54 HydrophobicContact CB-CD1 4.22Å
50N98.1Very high97.8Very high118 Ų11866.2 Ų66.263%0.63132%0.32SS*.Hα-helixtrans-66.5-31.4-177.5-68.3-12.1000112.6E46 T47 G52E46-N50 WeakPolarHBondContact O-CB 3.42Å; E46-N50 VanDerWaalsContact O-CG 3.28Å; E46-N50 PolarHBondContact O-N 3.43Å; T47-N50 PolarHBondContact O-N 3.15Å; N50-G52 PolarHBondContact O-N 2.78Å
51L98.2Very high97.7Very high114 Ų11466.7 Ų66.760%0.59733%0.325SS*.THydrogen-bonded Turntrans-70.9-13.7172.2-171.259.9000112.7T47 W48 Q49 T53T47-L51 VanDerWaalsContact O-CB 3.25Å; T47-L51 WeakPolarHBondContact O-CB 3.31Å; T47-L51 PolarHBondContact O-N 2.98Å; W48-L51 HydrophobicContact CE3-CD2 4.32Å; W48-L51 HydrophobicContact CZ3-CD2 4.3Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 3.4Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.3Å; L51-T53 PolarHBondContact O-N 2.93Å
52G98Very high97.7Very high16 Ų1665.1 Ų65.117%0.16531%0.314CS..THydrogen-bonded Turntrans75.714.6-175.900000113.8W48 Q49 N50 Q55 R56W48-G52 PolarHBondContact O-N 3.46Å; Q49-G52 WeakPolarHBondContact O-CA 3.49Å; Q49-G52 PolarHBondContact O-N 2.98Å; N50-G52 PolarHBondContact O-N 2.78Å; G52-Q55 PolarHBondContact O-N 2.92Å; G52-R56 WeakPolarHBondContact O-CG 3.02Å; G52-R56 PolarHBondContact O-N 2.87Å
53T98.5Very high97.8Very high28 Ų2855.8 Ų55.817%0.17228%0.278CS..Hα-helixtrans-68.6-42.3-176-57.20000111.5L37 W48 L51 Q55 R56 L57L37-T53 HydrophobicContact CD2-CG2 3.73Å; W48-T53 HydrophobicContact CE3-CG2 3.74Å; W48-T53 HydrophobicContact CZ3-CG2 3.99Å; W48-T53 PolarHBondContact O-N 2.93Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 WeakPolarHBondContact CD2-OG1 3.3Å; L51-T53 PolarHBondContact O-N 2.93Å; T53-Q55 VanDerWaalsContact C-N 3.32Å; T53-Q55 PolarHBondContact O-N 2.87Å; T53-R56 PolarHBondContact O-N 2.79Å; T53-L57 HydrophobicContact CG2-CD1 4.14Å; T53-L57 WeakPolarHBondContact O-CG 3.43Å; T53-L57 PolarHBondContact O-N 2.82Å
54L98.3Very high97.8Very high2 Ų250.6 Ų50.61%0.0126%0.256CS..Hα-helixtrans-59.6-44.8177.1-60.7-179.7000111.4R21 T23 L37 W48 Q49 L57 A58 A64 A66R21-L54 HydrophobicContact CB-CD1 3.85Å; T23-L54 WeakPolarHBondContact OG1-CB 3.2Å; L37-L54 HydrophobicContact CD1-CD2 3.71Å; L37-L54 HydrophobicContact CD2-CD2 4.26Å; W48-L54 HydrophobicContact CB-CD2 4.41Å; W48-L54 HydrophobicContact CB-CG 4.2Å; Q49-L54 HydrophobicContact CB-CD1 4.22Å; L54-L57 PolarHBondContact O-N 2.97Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 3.07Å; L54-A58 VanDerWaalsContact O-N 3.07Å; L54-A64 HydrophobicContact CB-CB 4.34Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; L54-A66 HydrophobicContact CD1-CB 4.37Å; L54-A66 HydrophobicContact CD2-CB 3.98Å
55Q97.1Very high97.8Very high77 Ų7750 Ų5036%0.3625%0.251SS..Hα-helixtrans-62.3-49.7177178.3173.8-3.400112V4 G52 T53 L57 A58 E59V4-Q55 HydrophobicContact CG2-CG 4.35Å; G52-Q55 PolarHBondContact O-N 2.92Å; T53-Q55 VanDerWaalsContact C-N 3.32Å; T53-Q55 PolarHBondContact O-N 2.87Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 2.7Å; Q55-A58 PolarHBondContact O-N 2.91Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; Q55-E59 HydrophobicContact CG-CG 4.29Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q55-E59 PolarHBondContact NE2-OE1 2.76Å; Q55-E59 WeakPolarHBondContact O-CG 3.36Å; Q55-E59 PolarHBondContact O-N 3.39Å
56R97.7Very high97.8Very high183 Ų18349.9 Ų49.969%0.69125%0.251SS*.Hα-helixtrans-61.2-37.5-179.5-72.6-176.8-166.3-83.52.7112.7G52 T53 A60G52-R56 WeakPolarHBondContact O-CG 3.02Å; G52-R56 PolarHBondContact O-N 2.87Å; T53-R56 PolarHBondContact O-N 2.79Å; R56-A60 WeakPolarHBondContact O-CB 3.26Å; R56-A60 PolarHBondContact O-N 2.79Å; R56-A60 VanDerWaalsContact O-N 3.14Å
57L97.9Very high97.8Very high33 Ų3345.3 Ų45.317%0.17323%0.23CC..Hα-helixtrans-66.5-42.1175.7-74.2173.1000111.5V35 L37 T53 L54 Q55 A60 G61 Y62 A64V35-L57 HydrophobicContact CB-CD1 4.18Å; V35-L57 HydrophobicContact CG1-CD1 3.96Å; V35-L57 HydrophobicContact CG2-CD2 4.47Å; L37-L57 HydrophobicContact CD1-CD1 4.06Å; L37-L57 HydrophobicContact CD2-CD1 4.16Å; T53-L57 HydrophobicContact CG2-CD1 4.14Å; T53-L57 WeakPolarHBondContact O-CG 3.43Å; T53-L57 PolarHBondContact O-N 2.82Å; L54-L57 PolarHBondContact O-N 2.97Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 2.7Å; L57-A60 CarbonylContact O-C 3.55Å; L57-A60 PolarHBondContact O-N 2.84Å; L57-G61 PolarHBondContact O-N 2.84Å; L57-Y62 HydrophobicContact CB-CD2 4.48Å; L57-Y62 HydrophobicContact CD2-CD2 3.97Å; L57-Y62 HydrophobicContact CD2-CE2 4.5Å; L57-Y62 WeakPolarHBondContact O-CB 3.25Å; L57-Y62 VanDerWaalsContact O-CD2 3.28Å; L57-Y62 WeakPolarHBondContact O-CD2 3.49Å; L57-Y62 PolarHBondContact O-N 3.44Å; L57-A64 HydrophobicContact CB-CB 3.73Å; L57-A64 HydrophobicContact CD1-CB 3.92Å; L57-A64 HydrophobicContact CG-CB 4.5Å
58A96.9Very high97.8Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-65.3-43.317600000113.1V4 T23 L54 Q55 A60 G61 Y62V4-A58 HydrophobicContact CB-CB 4.21Å; V4-A58 HydrophobicContact CG1-CB 3.73Å; T23-A58 HydrophobicContact CG2-CB 3.49Å; T23-A58 VanDerWaalsContact CG2-CB 3.49Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 3.07Å; L54-A58 VanDerWaalsContact O-N 3.07Å; Q55-A58 PolarHBondContact O-N 2.91Å; Q55-A58 VanDerWaalsContact O-N 3.14Å; A58-A60 PolarHBondContact O-N 2.81Å; A58-G61 PolarHBondContact O-N 2.75Å; A58-Y62 VanDerWaalsContact CA-O 3.28Å; A58-Y62 WeakPolarHBondContact CA-O 3.26Å
59E95.4Very high97.8Very high84 Ų8441 Ų4139%0.39321%0.207SC..Hα-helixtrans-60.5-27.6173.7-71.6172.5174.400112.3V4 Q55 G61V4-E59 HydrophobicContact CG1-CG 3.87Å; Q55-E59 HydrophobicContact CG-CG 4.29Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q55-E59 PolarHBondContact NE2-OE1 2.76Å; Q55-E59 WeakPolarHBondContact O-CG 3.36Å; Q55-E59 PolarHBondContact O-N 3.39Å; E59-G61 VanDerWaalsContact C-N 3.31Å
60A95.9Very high97.8Very high55 Ų5538.4 Ų38.446%0.45520%0.196SC..THydrogen-bonded Turntrans-86.15.5174.200000114.1R56 L57 A58 Y62R56-A60 WeakPolarHBondContact O-CB 3.26Å; R56-A60 PolarHBondContact O-N 2.79Å; R56-A60 VanDerWaalsContact O-N 3.14Å; L57-A60 CarbonylContact O-C 3.55Å; L57-A60 PolarHBondContact O-N 2.84Å; A58-A60 PolarHBondContact O-N 2.81Å; A60-Y62 HydrophobicContact CB-CD2 3.81Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å
61G96.2Very high97.8Very high12 Ų1234.7 Ų34.712%0.12419%0.185CC..THydrogen-bonded Turntrans89.114.3175.400000115.5R32 L57 A58 E59R32-G61 PolarHBondContact N-O 2.96Å; L57-G61 PolarHBondContact O-N 2.84Å; A58-G61 PolarHBondContact O-N 2.75Å; E59-G61 VanDerWaalsContact C-N 3.31Å
62Y97.8Very high97.8Very high52 Ų5231.1 Ų31.120%0.20417%0.167CC..  trans-103.4145.8178.6-50.1-71000112P25 R32 F33 V35 L57 A58 A60 A64P25-Y62 WeakPolarHBondContact CD-O 3.48Å; R32-Y62 HydrophobicContact CB-CD1 4.18Å; R32-Y62 HydrophobicContact CB-CE1 4.36Å; R32-Y62 PolarHBondContact NH1-OH 2.94Å; F33-Y62 HydrophobicContact CD1-CE1 4.47Å; F33-Y62 AromaticContact CD2-CD1 3.93Å; F33-Y62 HydrophobicContact CD2-CD1 3.93Å; F33-Y62 HydrophobicContact CD2-CE1 4.31Å; F33-Y62 HydrophobicContact CE1-CD1 4.25Å; F33-Y62 AromaticContact CE1-CE1 3.79Å; F33-Y62 HydrophobicContact CE1-CE1 3.79Å; F33-Y62 AromaticContact CE2-CD1 3.59Å; F33-Y62 HydrophobicContact CE2-CD1 3.59Å; F33-Y62 AromaticContact CE2-CE1 3.59Å; F33-Y62 HydrophobicContact CE2-CE1 3.59Å; F33-Y62 HydrophobicContact CG-CD1 4.39Å; F33-Y62 AromaticContact CZ-CD1 3.79Å; F33-Y62 HydrophobicContact CZ-CD1 3.79Å; F33-Y62 AromaticContact CZ-CE1 3.31Å; F33-Y62 HydrophobicContact CZ-CE1 3.31Å; V35-Y62 HydrophobicContact CG2-CG 4.32Å; L57-Y62 HydrophobicContact CB-CD2 4.48Å; L57-Y62 HydrophobicContact CD2-CD2 3.97Å; L57-Y62 HydrophobicContact CD2-CE2 4.5Å; L57-Y62 WeakPolarHBondContact O-CB 3.25Å; L57-Y62 VanDerWaalsContact O-CD2 3.28Å; L57-Y62 WeakPolarHBondContact O-CD2 3.49Å; L57-Y62 PolarHBondContact O-N 3.44Å; A58-Y62 VanDerWaalsContact CA-O 3.28Å; A58-Y62 WeakPolarHBondContact CA-O 3.26Å; A60-Y62 HydrophobicContact CB-CD2 3.81Å; A60-Y62 HydrophobicContact CB-CE2 3.67Å; Y62-A64 PolarHBondContact O-N 3.46Å
63R97.8Very high97.8Very high24 Ų2431.7 Ų31.79%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-80.7106.2168.2171.8178.8-177-154.5-5.1108.4E22 R24 V31 F33 S34 V35 V65 L100 E101E22-R63 IonicContact OE1-CZ 3.17Å; E22-R63 IonicContact OE1-NE 2.7Å; E22-R63 PolarHBondContact OE1-NE 3.19Å; E22-R63 IonicContact OE1-NH2 2.79Å; E22-R63 PolarHBondContact OE1-NH2 3.26Å; R24-R63 HydrophobicContact CG-CG 4.28Å; R24-R63 VanDerWaalsContact NH2-CZ 3.29Å; V31-R63 HydrophobicContact CG1-CB 3.61Å; F33-R63 PolarHBondContact O-N 3.07Å; S34-R63 CarbonylContact C-O 3.51Å; S34-R63 VanDerWaalsContact CA-O 3.27Å; S34-R63 WeakPolarHBondContact CA-O 3.48Å; V35-R63 PolarHBondContact N-O 2.8Å; R63-V65 HydrophobicContact CG-CG2 4.13Å; R63-L100 VanDerWaalsContact CZ-O 3.3Å; R63-L100 PolarHBondContact NH1-O 3.16Å; R63-L100 PolarHBondContact NH2-O 3.35Å; R63-E101 PolarHBondContact NH1-O 3.18Å
64A98.6Very high97.7Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-95123.8-178.200000110.3E22 T23 L37 L54 L57 Y62E22-A64 CarbonylContact C-O 3.57Å; E22-A64 VanDerWaalsContact CA-O 3.3Å; E22-A64 WeakPolarHBondContact CA-O 3.36Å; T23-A64 PolarHBondContact N-O 2.88Å; T23-A64 PolarHBondContact O-N 2.91Å; L37-A64 HydrophobicContact CD1-CB 4.3Å; L54-A64 HydrophobicContact CB-CB 4.34Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; L57-A64 HydrophobicContact CB-CB 3.73Å; L57-A64 HydrophobicContact CD1-CB 3.92Å; L57-A64 HydrophobicContact CG-CB 4.5Å; Y62-A64 PolarHBondContact O-N 3.46Å
65V98.8Very high97.7Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-129.1121.5178.8-175.30000109.5F20 R21 E22 V35 L36 L37 R63 I67 L100 L102F20-V65 HydrophobicContact CB-CG1 4.39Å; F20-V65 HydrophobicContact CD2-CG1 4.03Å; R21-V65 CarbonylContact O-C 3.48Å; R21-V65 WeakPolarHBondContact O-CA 3.44Å; E22-V65 HydrophobicContact CB-CG2 4.26Å; E22-V65 HydrophobicContact CG-CG2 3.97Å; V35-V65 PolarHBondContact O-N 3.33Å; L36-V65 CarbonylContact C-O 3.49Å; L36-V65 WeakPolarHBondContact CA-O 3.49Å; L37-V65 WeakPolarHBondContact CD1-O 3.38Å; L37-V65 PolarHBondContact N-O 2.9Å; R63-V65 HydrophobicContact CG-CG2 4.13Å; V65-I67 HydrophobicContact CG1-CG2 4.47Å; V65-L100 HydrophobicContact CG1-CD1 3.89Å; V65-L102 HydrophobicContact CB-CD2 4.45Å; V65-L102 HydrophobicContact CG2-CD2 3.84Å
66A98.9Very high97.6Very high0 Ų041.1 Ų41.10%021%0.206CC..EExtended strand (participates in β ladder)trans-111129.5171.300000110F20 R21 L37 W48 L54F20-A66 CarbonylContact C-O 3.59Å; F20-A66 VanDerWaalsContact CA-O 3.25Å; F20-A66 WeakPolarHBondContact CA-O 3.39Å; R21-A66 PolarHBondContact N-O 3.27Å; R21-A66 PolarHBondContact O-N 2.96Å; L37-A66 HydrophobicContact CB-CB 4.04Å; L37-A66 WeakPolarHBondContact O-CA 3.38Å; W48-A66 HydrophobicContact CB-CB 4.35Å; W48-A66 HydrophobicContact CG-CB 4.46Å; L54-A66 HydrophobicContact CD1-CB 4.37Å; L54-A66 HydrophobicContact CD2-CB 3.98Å
67I98.8Very high97.6Very high1 Ų141.3 Ų41.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-104.3153.4176.568.4177000110.3F20 L36 L37 L38 H39 V65 L69 L93 V96 L100F20-I67 HydrophobicContact CB-CG2 3.98Å; L36-I67 HydrophobicContact CD1-CG2 3.99Å; L37-I67 PolarHBondContact O-N 3.44Å; L38-I67 HydrophobicContact CD2-CD1 3.7Å; L38-I67 HydrophobicContact CD2-CG1 3.86Å; H39-I67 PolarHBondContact CD2-O 3.2Å; H39-I67 VanDerWaalsContact CD2-O 3.25Å; V65-I67 HydrophobicContact CG1-CG2 4.47Å; I67-L69 HydrophobicContact CD1-CD2 4.19Å; I67-L93 HydrophobicContact CD1-CD2 4.32Å; I67-V96 HydrophobicContact CD1-CG1 4.06Å; I67-V96 HydrophobicContact CD1-CG2 4.28Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; I67-L100 HydrophobicContact CG2-CD1 4.19Å
68D98.8Very high97.5Very high2 Ų240 Ų401%0.01121%0.208CC..PPolyproline II helixtrans-90.8119163.2-73.3-6.1000108.8F19 S44 S45 G73 R74 S75F19-D68 HydrophobicContact CB-CB 4.32Å; F19-D68 WeakPolarHBondContact CD1-OD2 3.3Å; F19-D68 PolarHBondContact O-N 2.66Å; S44-D68 WeakPolarHBondContact CB-OD1 3.38Å; S45-D68 WeakPolarHBondContact CB-OD1 3.3Å; S45-D68 PolarHBondContact N-OD1 3.36Å; S45-D68 PolarHBondContact OG-OD1 3.25Å; D68-G73 WeakPolarHBondContact OD2-CA 3.36Å; D68-R74 PolarHBondContact OD2-N 3.29Å; D68-S75 WeakPolarHBondContact CB-OG 3.17Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.4Å; D68-S75 PolarHBondContact O-OG 3.19Å
69L98.6Very high97.5Very high0 Ų042.9 Ų42.90%023%0.232CC..PPolyproline II helixtrans-64.6154.8179.2-70171.3000111.4L38 H39 I67 G71 L72 F92 Y116L38-L69 HydrophobicContact CD2-CD2 4.48Å; H39-L69 PolarHBondContact NE2-N 3.4Å; I67-L69 HydrophobicContact CD1-CD2 4.19Å; L69-G71 PolarHBondContact O-N 2.83Å; L69-L72 HydrophobicContact CB-CD1 4.43Å; L69-L72 PolarHBondContact O-N 3.18Å; L69-F92 HydrophobicContact CD2-CE1 4.45Å; L69-Y116 HydrophobicContact CD1-CD2 4.05Å; L69-Y116 HydrophobicContact CD1-CE2 4.03Å; L69-Y116 HydrophobicContact CD2-CD1 4.42Å; L69-Y116 HydrophobicContact CD2-CD2 3.98Å; L69-Y116 HydrophobicContact CD2-CE2 4.13Å; L69-Y116 HydrophobicContact CD2-CG 4.15Å
70P98.4Very high97.6Very high6 Ų641.3 Ų41.34%0.03923%0.234CC..THydrogen-bonded Turntrans-52.6134.7-178.5-25.232.4000113.1L18 L72 A78 A80 F92L18-P70 HydrophobicContact CD2-CG 4.04Å; P70-L72 PolarHBondContact O-N 3.31Å; P70-A78 CarbonylContact C-O 3.44Å; P70-A78 HydrophobicContact CB-CB 4.01Å; P70-A80 HydrophobicContact CB-CB 4.32Å; P70-F92 HydrophobicContact CG-CE1 4.5Å; P70-F92 HydrophobicContact CG-CE2 3.94Å; P70-F92 HydrophobicContact CG-CZ 3.59Å
71G97.4Very high97.6Very high39 Ų3940.8 Ų40.840%0.40223%0.226SC..THydrogen-bonded Turntrans79.3-1.218000000114.3L69 S75 A78L69-G71 PolarHBondContact O-N 2.83Å; G71-S75 PolarHBondContact N-O 3.18Å; G71-A78 WeakPolarHBondContact CA-O 3.47Å; G71-A78 PolarHBondContact N-O 3.39Å
72L98Very high97.6Very high39 Ų3940.9 Ų40.920%0.20423%0.226CC..SBendtrans-125.8162.6-174.5-58.3175.3000111.8I41 L69 P70 R74 S75 L112I41-L72 HydrophobicContact CG1-CD1 4.47Å; I41-L72 HydrophobicContact CG1-CD2 4.38Å; L69-L72 HydrophobicContact CB-CD1 4.43Å; L69-L72 PolarHBondContact O-N 3.18Å; P70-L72 PolarHBondContact O-N 3.31Å; L72-R74 PolarHBondContact O-N 2.99Å; L72-S75 CarbonylContact O-C 3.56Å; L72-S75 WeakPolarHBondContact O-CA 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.44Å; L72-S75 PolarHBondContact O-N 3.37Å; L72-L112 HydrophobicContact CD1-CD2 3.5Å
73G97.5Very high97.6Very high28 Ų2842.3 Ų42.329%0.28924%0.241SC..THydrogen-bonded Turntrans57-124.8178.100000112.6D68 K76D68-G73 WeakPolarHBondContact OD2-CA 3.36Å; G73-K76 WeakPolarHBondContact O-CE 3.43Å; G73-K76 WeakPolarHBondContact O-CG 3.43Å
74R98.1Very high97.5Very high156 Ų15647 Ų4759%0.58927%0.266SS*.THydrogen-bonded Turntrans-95.21.2173.3-60.4-179.584.9177.36.8112.9E8 F19 D68 L72E8-R74 IonicContact OE2-NH1 3.01Å; E8-R74 PolarHBondContact OE2-NH1 3.4Å; F19-R74 HydrophobicContact CB-CB 3.67Å; F19-R74 HydrophobicContact CD1-CB 3.85Å; F19-R74 HydrophobicContact CD1-CG 4.19Å; F19-R74 HydrophobicContact CD2-CB 4.11Å; F19-R74 HydrophobicContact CE1-CG 4.45Å; F19-R74 HydrophobicContact CG-CB 3.59Å; F19-R74 HydrophobicContact CG-CG 4.3Å; D68-R74 PolarHBondContact OD2-N 3.29Å; L72-R74 PolarHBondContact O-N 2.99Å
75S97.6Very high97.2Very high3 Ų348.6 Ų48.62%0.02128%0.283CS..  trans-96.229.8173.7-58.60000112.7L18 F19 D68 G71 L72 E77 A78L18-S75 WeakPolarHBondContact CA-OG 3.49Å; F19-S75 PolarHBondContact N-OG 3.41Å; D68-S75 WeakPolarHBondContact CB-OG 3.17Å; D68-S75 VanDerWaalsContact O-CB 3.29Å; D68-S75 WeakPolarHBondContact O-CB 3.4Å; D68-S75 PolarHBondContact O-OG 3.19Å; G71-S75 PolarHBondContact N-O 3.18Å; L72-S75 CarbonylContact O-C 3.56Å; L72-S75 WeakPolarHBondContact O-CA 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.44Å; L72-S75 PolarHBondContact O-N 3.37Å; S75-E77 VanDerWaalsContact C-N 3.28Å; S75-E77 PolarHBondContact O-N 3.37Å; S75-A78 WeakPolarHBondContact O-CB 3.14Å; S75-A78 PolarHBondContact O-N 3.47Å; S75-A78 VanDerWaalsContact O-N 3.11Å
76K95.3Very high97.1Very high146 Ų14653.9 Ų53.964%0.63531%0.308SS*.THydrogen-bonded Turntrans-61.1-32.7-172.7-63.9-174.8180-179.90114.3G73 A78G73-K76 WeakPolarHBondContact O-CE 3.43Å; G73-K76 WeakPolarHBondContact O-CG 3.43Å; K76-A78 VanDerWaalsContact C-N 3.28Å; K76-A78 PolarHBondContact O-N 3.19Å
77E96.2Very high97Very high187 Ų18756.6 Ų56.687%0.87433%0.325SS*.THydrogen-bonded Turntrans-78.4-12.6-179.4-56.6-5613700112.9S75S75-E77 VanDerWaalsContact C-N 3.28Å; S75-E77 PolarHBondContact O-N 3.37Å
78A97.1Very high97Very high5 Ų556.7 Ų56.74%0.04133%0.326CS..SBendtrans-80.7129176.200000110.4Q16 L18 P70 G71 S75 K76Q16-A78 HydrophobicContact CB-CB 4.14Å; L18-A78 HydrophobicContact CD2-CB 3.77Å; P70-A78 CarbonylContact C-O 3.44Å; P70-A78 HydrophobicContact CB-CB 4.01Å; G71-A78 WeakPolarHBondContact CA-O 3.47Å; G71-A78 PolarHBondContact N-O 3.39Å; S75-A78 WeakPolarHBondContact O-CB 3.14Å; S75-A78 PolarHBondContact O-N 3.47Å; S75-A78 VanDerWaalsContact O-N 3.11Å; K76-A78 VanDerWaalsContact C-N 3.28Å; K76-A78 PolarHBondContact O-N 3.19Å
79A97.3Very high96.9Very high61 Ų6159.4 Ų59.450%0.50434%0.344SS..PPolyproline II helixtrans-76.5134.8172.600000110.9Q16Q16-A79 PolarHBondContact NE2-O 2.82Å; Q16-A79 PolarHBondContact OE1-O 3.33Å
80A95.9Very high96.7Very high51 Ų5160.1 Ų60.142%0.42135%0.351SS..PPolyproline II helixtrans-64.2136.8172.800000110.6P70 A82P70-A80 HydrophobicContact CB-CB 4.32Å; A80-A82 WeakPolarHBondContact CB-O 3.42Å; A80-A82 PolarHBondContact O-N 2.7Å
81P95.8Very high96.6Very high45 Ų4563 Ų6329%0.29237%0.372SS..SBendtrans-73.9-8.5-179.133-38.3000113.2A88 P89 F92 Y116P81-A88 HydrophobicContact CG-CB 3.88Å; P81-P89 HydrophobicContact CB-CG 4.5Å; P81-F92 HydrophobicContact CG-CD2 4.16Å; P81-F92 HydrophobicContact CG-CG 4.29Å; P81-Y116 HydrophobicContact CG-CD1 4.49Å; P81-Y116 HydrophobicContact CG-CE1 3.8Å
82A97Very high96.6Very high14 Ų1461.3 Ų61.312%0.11635%0.353CS..SBendtrans-151.2155.2173.800000110.7A80 E86 A88 M115A80-A82 WeakPolarHBondContact CB-O 3.42Å; A80-A82 PolarHBondContact O-N 2.7Å; A82-E86 HydrophobicContact CB-CB 4.49Å; A82-A88 HydrophobicContact CB-CB 4.24Å; A82-M115 HydrophobicContact CB-CE 4.31Å
83P97Very high96.6Very high81 Ų8159.4 Ų59.453%0.52634%0.344SS..  trans-61.5153.7171.1-20.833.1000112.8G85 E86 M115P83-G85 PolarHBondContact O-N 3.37Å; P83-E86 PolarHBondContact O-N 3.23Å; P83-E86 VanDerWaalsContact O-N 3.1Å; P83-M115 WeakPolarHBondContact O-CE 3.32Å
84I96Very high96.6Very high122 Ų12259.5 Ų59.563%0.62634%0.342SS*.THydrogen-bonded Turntrans-59.8128.1175.8-64172.6000109.8I41 L112I41-I84 HydrophobicContact CD1-CD1 3.79Å; I84-L112 HydrophobicContact CG1-CD1 4.34Å; I84-L112 HydrophobicContact CG2-CD1 4.02Å
85G92.6Very high96.5Very high34 Ų3453.2 Ų53.235%0.35132%0.323SS..THydrogen-bonded Turntrans97.2-10.4-178.900000114P83 C138P83-G85 PolarHBondContact O-N 3.37Å; G85-C138 VanDerWaalsContact C-SG 3.59Å; G85-C138 PolarHBondContact O-SG 3.28Å
86E97.5Very high96.6Very high112 Ų11253 Ų5352%0.52332%0.322SS..SBendtrans-103.3141.2173-65-170.7-171.800111.3A82 P83 A88 M115A82-E86 HydrophobicContact CB-CB 4.49Å; P83-E86 PolarHBondContact O-N 3.23Å; P83-E86 VanDerWaalsContact O-N 3.1Å; E86-A88 PolarHBondContact O-N 3.04Å; E86-M115 VanDerWaalsContact O-CE 3.29Å; E86-M115 WeakPolarHBondContact O-CE 3.37Å
87P97.1Very high96.7Very high56 Ų5646.7 Ų46.736%0.36430%0.295SS..PPolyproline II helixtrans-61.3125.6176.1-19.831.8000111.7P119 K141P87-P119 HydrophobicContact CB-CG 3.59Å; P87-K141 HydrophobicContact CG-CB 3.68Å; P87-K141 HydrophobicContact CG-CG 4.12Å
88A97.6Very high96.7Very high3 Ų343.4 Ų43.43%0.02528%0.283CS..PPolyproline II helixtrans-70.9156.9170.600000110.8P81 A82 E86 G90 M115 Y116 P119P81-A88 HydrophobicContact CG-CB 3.88Å; A82-A88 HydrophobicContact CB-CB 4.24Å; E86-A88 PolarHBondContact O-N 3.04Å; A88-G90 PolarHBondContact O-N 3.25Å; A88-M115 WeakPolarHBondContact CB-O 3.33Å; A88-M115 PolarHBondContact N-O 2.75Å; A88-Y116 HydrophobicContact CB-CD1 3.69Å; A88-Y116 HydrophobicContact CB-CE1 3.97Å; A88-Y116 HydrophobicContact CB-CG 4.29Å; A88-P119 WeakPolarHBondContact O-CB 3.48Å; A88-P119 WeakPolarHBondContact O-CG 3.45Å
89P96.8Very high96.7Very high60 Ų6046.2 Ų46.239%0.3930%0.3SS..PPolyproline II helixtrans-56.7125.2172.4-23.434.1000111P81 S91 F92P81-P89 HydrophobicContact CB-CG 4.5Å; P89-S91 PolarHBondContact O-N 3.16Å; P89-S91 VanDerWaalsContact O-N 3.08Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.46Å; P89-F92 PolarHBondContact O-N 2.91Å
90G95.1Very high96.7Very high14 Ų1443.8 Ų43.814%0.14428%0.279CS..THydrogen-bonded Turntrans-58.4-24.1178.300000113.5A88 F92 L93 A94A88-G90 PolarHBondContact O-N 3.25Å; G90-F92 PolarHBondContact O-N 2.65Å; G90-L93 PolarHBondContact O-N 3.43Å; G90-A94 PolarHBondContact O-N 2.92Å
91S96.3Very high96.8Very high68 Ų6849 Ų4948%0.47630%0.295SS..Hα-helixtrans-62-18.6172.659.40000113.9Q14 P89 A95Q14-S91 PolarHBondContact NE2-O 3.16Å; P89-S91 PolarHBondContact O-N 3.16Å; P89-S91 VanDerWaalsContact O-N 3.08Å; S91-A95 WeakPolarHBondContact O-CB 3.3Å; S91-A95 PolarHBondContact O-N 2.99Å
92F97.6Very high96.8Very high2 Ų247.3 Ų47.31%0.00928%0.283CS..Hα-helixtrans-63.7-54.3175.6176-96.9000111.5V13 L18 L69 P70 P81 P89 G90 A94 A95 V96 Y116V13-F92 HydrophobicContact CG1-CD2 4.18Å; V13-F92 HydrophobicContact CG1-CE2 4.04Å; L18-F92 HydrophobicContact CD1-CE2 4.05Å; L18-F92 HydrophobicContact CD1-CZ 3.6Å; L69-F92 HydrophobicContact CD2-CE1 4.45Å; P70-F92 HydrophobicContact CG-CE1 4.5Å; P70-F92 HydrophobicContact CG-CE2 3.94Å; P70-F92 HydrophobicContact CG-CZ 3.59Å; P81-F92 HydrophobicContact CG-CD2 4.16Å; P81-F92 HydrophobicContact CG-CG 4.29Å; P89-F92 VanDerWaalsContact O-CB 3.23Å; P89-F92 WeakPolarHBondContact O-CB 3.46Å; P89-F92 PolarHBondContact O-N 2.91Å; G90-F92 PolarHBondContact O-N 2.65Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A95 PolarHBondContact O-N 3.34Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.5Å; F92-V96 PolarHBondContact O-N 3.33Å; F92-V96 VanDerWaalsContact O-N 3.07Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CE1 4.02Å; F92-Y116 AromaticContact CE1-CD1 3.69Å; F92-Y116 HydrophobicContact CE1-CD1 3.69Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.33Å; F92-Y116 HydrophobicContact CZ-CE1 4.43Å
93L97.5Very high96.7Very high0 Ų048.6 Ų48.60%030%0.297CS..Hα-helixtrans-72.4-29.5178.4-70.9-175000112.3L38 I67 G90 A95 V96 V97 Y116 F120L38-L93 HydrophobicContact CD1-CD1 3.86Å; L38-L93 HydrophobicContact CD2-CD2 4.12Å; I67-L93 HydrophobicContact CD1-CD2 4.32Å; G90-L93 PolarHBondContact O-N 3.43Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.05Å; L93-V96 HydrophobicContact CD2-CG2 4.31Å; L93-V96 WeakPolarHBondContact O-CB 3.36Å; L93-V96 PolarHBondContact O-N 3.44Å; L93-V97 WeakPolarHBondContact O-CB 3.26Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.34Å; L93-V97 PolarHBondContact O-N 3.11Å; L93-Y116 WeakPolarHBondContact CD1-O 3.29Å; L93-F120 HydrophobicContact CB-CB 3.86Å; L93-F120 HydrophobicContact CB-CD1 3.71Å; L93-F120 HydrophobicContact CB-CD2 4.12Å; L93-F120 HydrophobicContact CB-CE1 4.24Å; L93-F120 HydrophobicContact CB-CG 3.63Å; L93-F120 HydrophobicContact CD1-CB 3.99Å; L93-F120 HydrophobicContact CD1-CD1 3.97Å; L93-F120 HydrophobicContact CD1-CG 4.27Å; L93-F120 HydrophobicContact CG-CB 4.42Å
94A97.1Very high96.7Very high30 Ų3046.8 Ų46.825%0.24829%0.285CS..Hα-helixtrans-56.8-48.3169.300000110.8G90 F92 V96 V97 D98 F120G90-A94 PolarHBondContact O-N 2.92Å; F92-A94 VanDerWaalsContact C-N 3.34Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 2.91Å; A94-V97 PolarHBondContact O-N 3.03Å; A94-V97 VanDerWaalsContact O-N 3.16Å; A94-D98 VanDerWaalsContact O-CG 3.29Å; A94-D98 PolarHBondContact O-N 3.04Å; A94-F120 HydrophobicContact CB-CD2 4.21Å; A94-F120 HydrophobicContact CB-CE2 3.9Å
95A97.2Very high96.8Very high23 Ų2341 Ų4119%0.1926%0.256CS..Hα-helixtrans-63.7-35.1177.200000113.3V13 Q14 S91 F92 L93 T99V13-A95 HydrophobicContact CG1-CB 3.92Å; Q14-A95 HydrophobicContact CG-CB 4.31Å; S91-A95 WeakPolarHBondContact O-CB 3.3Å; S91-A95 PolarHBondContact O-N 2.99Å; F92-A95 PolarHBondContact O-N 3.34Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.05Å; A95-T99 VanDerWaalsContact O-CB 3.26Å; A95-T99 WeakPolarHBondContact O-CB 3.3Å; A95-T99 PolarHBondContact O-N 3.43Å; A95-T99 PolarHBondContact O-OG1 2.73Å
96V98Very high97.1Very high0 Ų040.5 Ų40.50%025%0.246CC..Hα-helixtrans-61.6-50171.9171.50000110.6I11 V13 L18 L36 I67 F92 L93 A94 D98 T99 L100I11-V96 HydrophobicContact CD1-CG1 4.38Å; V13-V96 HydrophobicContact CG1-CG2 3.99Å; V13-V96 HydrophobicContact CG2-CG2 3.99Å; L18-V96 HydrophobicContact CD1-CG2 4.21Å; L36-V96 HydrophobicContact CD2-CG1 4.43Å; I67-V96 HydrophobicContact CD1-CG1 4.06Å; I67-V96 HydrophobicContact CD1-CG2 4.28Å; I67-V96 HydrophobicContact CG2-CG1 4.19Å; F92-V96 HydrophobicContact CE1-CG2 4.2Å; F92-V96 HydrophobicContact CZ-CG2 4.38Å; F92-V96 WeakPolarHBondContact O-CG2 3.5Å; F92-V96 PolarHBondContact O-N 3.33Å; F92-V96 VanDerWaalsContact O-N 3.07Å; L93-V96 HydrophobicContact CD2-CG2 4.31Å; L93-V96 WeakPolarHBondContact O-CB 3.36Å; L93-V96 PolarHBondContact O-N 3.44Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 2.91Å; V96-D98 VanDerWaalsContact C-N 3.31Å; V96-D98 PolarHBondContact O-N 3.06Å; V96-T99 PolarHBondContact O-N 2.95Å; V96-L100 HydrophobicContact CG1-CD1 3.78Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 PolarHBondContact O-N 2.69Å
97V97.7Very high97.2Very high12 Ų1235.2 Ų35.27%0.07322%0.222CC..Hα-helixtrans-60.2-42.3-179.1165.80000111.2L36 L93 A94 E101 L102 G103 P105 F120L36-V97 HydrophobicContact CD2-CG2 4.16Å; L93-V97 WeakPolarHBondContact O-CB 3.26Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.34Å; L93-V97 PolarHBondContact O-N 3.11Å; A94-V97 PolarHBondContact O-N 3.03Å; A94-V97 VanDerWaalsContact O-N 3.16Å; V97-E101 PolarHBondContact O-N 2.94Å; V97-E101 VanDerWaalsContact O-N 3.11Å; V97-L102 HydrophobicContact CG1-CB 4.25Å; V97-L102 HydrophobicContact CG2-CD1 4.35Å; V97-L102 PolarHBondContact O-N 3.25Å; V97-G103 WeakPolarHBondContact CG1-O 3.34Å; V97-P105 HydrophobicContact CG1-CG 4.36Å; V97-P105 HydrophobicContact CG2-CG 3.87Å; V97-F120 HydrophobicContact CG2-CE1 4.2Å; V97-F120 HydrophobicContact CG2-CZ 3.99Å
98D96.8Very high97.2Very high118 Ų11833.9 Ų33.963%0.63121%0.211SC*.Hα-helixtrans-68.6-46.8178.7-69.2-18.9000111.5A94 V96 L100 E101A94-D98 VanDerWaalsContact O-CG 3.29Å; A94-D98 PolarHBondContact O-N 3.04Å; V96-D98 VanDerWaalsContact C-N 3.31Å; V96-D98 PolarHBondContact O-N 3.06Å; D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 PolarHBondContact O-N 3.44Å; D98-E101 PolarHBondContact O-N 3.25Å
99T97.4Very high97.3Very high65 Ų6533.7 Ų33.740%0.39921%0.21SC..Hα-helixtrans-66-31.6-177.5-570000112.2I11 A95 V96I11-T99 HydrophobicContact CB-CG2 3.86Å; I11-T99 HydrophobicContact CG2-CG2 4.13Å; A95-T99 VanDerWaalsContact O-CB 3.26Å; A95-T99 WeakPolarHBondContact O-CB 3.3Å; A95-T99 PolarHBondContact O-N 3.43Å; A95-T99 PolarHBondContact O-OG1 2.73Å; V96-T99 PolarHBondContact O-N 2.95Å
100L96.9Very high97.4Very high10 Ų1031.9 Ų31.95%0.05220%0.198CC..THydrogen-bonded Turntrans-89.8-2.1175.9-73.6165.5000113.1I11 F20 R63 V65 I67 V96 D98 L102I11-L100 HydrophobicContact CD1-CD1 3.74Å; I11-L100 HydrophobicContact CD1-CD2 4.11Å; I11-L100 HydrophobicContact CD1-CG 3.67Å; I11-L100 HydrophobicContact CG2-CD2 3.63Å; I11-L100 HydrophobicContact CG2-CG 4.16Å; F20-L100 HydrophobicContact CD1-CD2 4.18Å; F20-L100 HydrophobicContact CD2-CD2 4.11Å; F20-L100 HydrophobicContact CE1-CD2 4.16Å; F20-L100 HydrophobicContact CE2-CD2 4.09Å; F20-L100 HydrophobicContact CG-CD2 4.16Å; F20-L100 HydrophobicContact CZ-CD2 4.12Å; R63-L100 VanDerWaalsContact CZ-O 3.3Å; R63-L100 PolarHBondContact NH1-O 3.16Å; R63-L100 PolarHBondContact NH2-O 3.35Å; V65-L100 HydrophobicContact CG1-CD1 3.89Å; I67-L100 HydrophobicContact CG2-CD1 4.19Å; V96-L100 HydrophobicContact CG1-CD1 3.78Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 PolarHBondContact O-N 2.69Å; D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 PolarHBondContact O-N 3.44Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 HydrophobicContact CB-CD1 4.18Å; L100-L102 HydrophobicContact CB-CD2 3.66Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.23Å; L100-L102 PolarHBondContact O-N 3.25Å
101E96.9Very high97.5Very high161 Ų16133.7 Ų33.775%0.75221%0.208SC*.THydrogen-bonded Turntrans51.347.6-177.9-57.6178.9173.100111.9R63 V97 D98 G103R63-E101 PolarHBondContact NH1-O 3.18Å; V97-E101 PolarHBondContact O-N 2.94Å; V97-E101 VanDerWaalsContact O-N 3.11Å; D98-E101 PolarHBondContact O-N 3.25Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.79Å
102L96.6Very high97.6Very high8 Ų831 Ų314%0.04219%0.189CC..  trans-77.2-15.8-173.1-58.8-176.4000113.2S34 L36 V65 V97 L100 P105S34-L102 VanDerWaalsContact CB-O 3.31Å; S34-L102 WeakPolarHBondContact CB-O 3.47Å; S34-L102 PolarHBondContact OG-O 3.41Å; L36-L102 HydrophobicContact CB-CD1 4.21Å; L36-L102 HydrophobicContact CD1-CD1 4.24Å; L36-L102 HydrophobicContact CD2-CD1 4.49Å; V65-L102 HydrophobicContact CB-CD2 4.45Å; V65-L102 HydrophobicContact CG2-CD2 3.84Å; V97-L102 HydrophobicContact CG1-CB 4.25Å; V97-L102 HydrophobicContact CG2-CD1 4.35Å; V97-L102 PolarHBondContact O-N 3.25Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 HydrophobicContact CB-CD1 4.18Å; L100-L102 HydrophobicContact CB-CD2 3.66Å; L100-L102 HydrophobicContact CB-CG 3.63Å; L100-L102 HydrophobicContact CD1-CD1 4.23Å; L100-L102 PolarHBondContact O-N 3.25Å; L102-P105 HydrophobicContact CB-CB 4.39Å
103G96.1Very high97.7Very high41 Ų4130.9 Ų30.942%0.42319%0.188SC..  trans58.8-160.2-162.500000110.9V97 E101 P105V97-G103 WeakPolarHBondContact CG1-O 3.34Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.79Å; G103-P105 WeakPolarHBondContact O-CD 3.38Å; G103-P105 VanDerWaalsContact O-N 3.11Å
104P96.2Very high97.7Very high43 Ų4330.9 Ų30.928%0.27919%0.188SC..SBendtrans-67.2103.6174.8-24.236.1000111.9Q127 R129P104-Q127 WeakPolarHBondContact CA-O 3.42Å; P104-Q127 HydrophobicContact CB-CB 4.13Å; P104-Q127 VanDerWaalsContact CB-O 3.3Å; P104-Q127 WeakPolarHBondContact CB-O 3.49Å; P104-Q127 HydrophobicContact CG-CB 4.03Å; P104-R129 WeakPolarHBondContact O-CB 3.41Å; P104-R129 PolarHBondContact O-NH1 3.05Å
105P98.1Very high97.8Very high1 Ų129.6 Ų29.61%0.00618%0.177CC..  trans-91.9164.2-172.635.4-25.5000111.2S34 L36 V97 L102 G103 V107 L128 R129S34-P105 CarbonylContact O-C 3.58Å; S34-P105 VanDerWaalsContact O-CA 3.27Å; S34-P105 WeakPolarHBondContact O-CA 3.39Å; L36-P105 HydrophobicContact CB-CB 4.44Å; V97-P105 HydrophobicContact CG1-CG 4.36Å; V97-P105 HydrophobicContact CG2-CG 3.87Å; L102-P105 HydrophobicContact CB-CB 4.39Å; G103-P105 WeakPolarHBondContact O-CD 3.38Å; G103-P105 VanDerWaalsContact O-N 3.11Å; P105-V107 HydrophobicContact CG-CG2 4.26Å; P105-L128 HydrophobicContact CG-CD2 4.13Å; P105-R129 PolarHBondContact O-N 3.39Å
106V98.6Very high97.8Very high24 Ų2428.8 Ų28.815%0.14517%0.169CC..EExtended strand (participates in β ladder)trans-83.4132.4155.4173.90000108.1F33 S34 V35 L36 R129 G130 V132F33-V106 HydrophobicContact CD2-CG2 4.12Å; F33-V106 HydrophobicContact CE2-CG2 3.63Å; F33-V106 HydrophobicContact CZ-CG2 4.42Å; S34-V106 PolarHBondContact O-N 2.82Å; V35-V106 CarbonylContact C-O 3.58Å; V35-V106 WeakPolarHBondContact CA-O 3.48Å; V35-V106 HydrophobicContact CG1-CB 4.44Å; V35-V106 HydrophobicContact CG2-CB 4.33Å; L36-V106 PolarHBondContact N-O 3.18Å; V106-R129 HydrophobicContact CG2-CB 4.25Å; V106-R129 HydrophobicContact CG2-CG 4.26Å; V106-G130 CarbonylContact C-O 3.55Å; V106-G130 VanDerWaalsContact CA-O 3.29Å; V106-G130 WeakPolarHBondContact CA-O 3.4Å; V106-V132 HydrophobicContact CG1-CG2 4.12Å
107V98.8Very high97.8Very high1 Ų128.9 Ų28.91%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-107.4123.7177174.20000110.7L36 L38 P105 F120 L128 G130 F131 V132L36-V107 HydrophobicContact CB-CG2 4.26Å; L36-V107 HydrophobicContact CD2-CG2 4.29Å; L36-V107 WeakPolarHBondContact O-CA 3.25Å; L38-V107 HydrophobicContact CD1-CG1 4.03Å; L38-V107 HydrophobicContact CG-CG1 4.37Å; P105-V107 HydrophobicContact CG-CG2 4.26Å; V107-F120 HydrophobicContact CG2-CE1 4.24Å; V107-L128 HydrophobicContact CB-CD2 4.28Å; V107-L128 HydrophobicContact CG2-CD2 3.44Å; V107-L128 VanDerWaalsContact CG2-CD2 3.44Å; V107-G130 PolarHBondContact N-O 2.96Å; V107-F131 HydrophobicContact CB-CD2 4.19Å; V107-F131 HydrophobicContact CG1-CD2 4.3Å; V107-F131 HydrophobicContact CG1-CE2 4.28Å; V107-V132 PolarHBondContact O-N 2.74Å
108I98.9Very high97.9Very high27 Ų2728.4 Ų28.414%0.13817%0.167CC..EExtended strand (participates in β ladder)trans-100119.1171.8-54.2-174.4000108.4V35 L36 L37 L38 W48 V132V35-I108 HydrophobicContact CG1-CD1 3.81Å; V35-I108 HydrophobicContact CG1-CG1 3.98Å; L36-I108 PolarHBondContact O-N 3Å; L37-I108 HydrophobicContact CD2-CD1 4.22Å; L37-I108 HydrophobicContact CG-CD1 4.19Å; L38-I108 WeakPolarHBondContact CB-O 3.26Å; L38-I108 PolarHBondContact N-O 3.14Å; W48-I108 HydrophobicContact CH2-CG2 4.18Å; W48-I108 HydrophobicContact CZ2-CG2 4.2Å; I108-V132 WeakPolarHBondContact CA-O 3.31Å; I108-V132 HydrophobicContact CG1-CB 4.16Å; I108-V132 HydrophobicContact CG1-CG2 4.44Å
109S98.8Very high97.9Very high0 Ų023.6 Ų23.60%014%0.142CC..EExtended strand (participates in β ladder)trans-130.893.7-171-1750000112.9S113 G114 S117 V132 V134S109-S113 VanDerWaalsContact C-OG 3.24Å; S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.41Å; S109-S113 PolarHBondContact OG-O 3.32Å; S109-S113 PolarHBondContact OG-OG 3.34Å; S109-G114 PolarHBondContact OG-N 3.04Å; S109-S117 VanDerWaalsContact CB-OG 3.3Å; S109-S117 WeakPolarHBondContact CB-OG 3.15Å; S109-S117 VanDerWaalsContact OG-CB 3.26Å; S109-S117 WeakPolarHBondContact OG-CB 3.38Å; S109-S117 PolarHBondContact OG-OG 3.2Å; S109-V132 PolarHBondContact N-O 2.89Å; S109-V134 PolarHBondContact O-N 2.86Å
110P98.6Very high97.9Very high21 Ų2121 Ų2114%0.13613%0.125CC..EExtended strand (participates in β ladder)trans-86.9140.6171.733.4-34.2000113.4L38 W48 L112 S113 V134L38-P110 WeakPolarHBondContact O-CD 3.1Å; W48-P110 HydrophobicContact CZ2-CG 4.21Å; P110-L112 PolarHBondContact O-N 3.01Å; P110-S113 WeakPolarHBondContact CD-OG 3.45Å; P110-S113 VanDerWaalsContact N-OG 3.09Å; P110-S113 PolarHBondContact O-N 3.19Å; P110-S113 PolarHBondContact O-OG 3.34Å; P110-V134 CarbonylContact C-O 3.5Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.11Å; P110-V134 HydrophobicContact CB-CB 4.01Å
111S98.1Very high97.9Very high53 Ų5321.5 Ų21.537%0.37113%0.127SC..G310 helixtrans49-119.3163.9-173.70000114.3S113 G114 V134 A135 P136 I137S111-S113 PolarHBondContact O-N 2.75Å; S111-G114 PolarHBondContact O-N 3.41Å; S111-V134 PolarHBondContact N-O 2.89Å; S111-A135 VanDerWaalsContact CA-O 3.26Å; S111-A135 WeakPolarHBondContact CA-O 3.22Å; S111-A135 PolarHBondContact N-O 2.86Å; S111-P136 WeakPolarHBondContact O-CA 3.29Å; S111-I137 PolarHBondContact O-N 2.9Å
112L98.4Very high97.9Very high11 Ų1115 Ų156%0.05810%0.099CC..G310 helixtrans-45.5-41.3-178.6179.272000112.9I41 L72 I84 P110 G114 M115 I137I41-L112 HydrophobicContact CB-CB 4.17Å; I41-L112 HydrophobicContact CB-CD2 3.78Å; I41-L112 HydrophobicContact CB-CG 4.39Å; I41-L112 HydrophobicContact CG1-CD2 4.01Å; L72-L112 HydrophobicContact CD1-CD2 3.5Å; I84-L112 HydrophobicContact CG1-CD1 4.34Å; I84-L112 HydrophobicContact CG2-CD1 4.02Å; P110-L112 PolarHBondContact O-N 3.01Å; L112-G114 PolarHBondContact O-N 3.48Å; L112-M115 HydrophobicContact CD1-SD 3.72Å; L112-M115 HydrophobicContact CG-SD 4.26Å; L112-M115 VanDerWaalsContact O-CG 3.31Å; L112-M115 WeakPolarHBondContact O-CG 3.44Å; L112-M115 PolarHBondContact O-N 3.01Å; L112-M115 VanDerWaalsContact O-N 3.15Å; L112-I137 HydrophobicContact CD1-CD1 3.93Å
113S98.5Very high97.7Very high0 Ų016 Ų160%011%0.108CC..G310 helixtrans-60.6-14.6-175.2640000114.6H39 S109 P110 S111 M115 Y116 S117H39-S113 WeakPolarHBondContact O-CB 3.38Å; S109-S113 VanDerWaalsContact C-OG 3.24Å; S109-S113 VanDerWaalsContact CA-OG 3.26Å; S109-S113 WeakPolarHBondContact CA-OG 3.41Å; S109-S113 PolarHBondContact OG-O 3.32Å; S109-S113 PolarHBondContact OG-OG 3.34Å; P110-S113 WeakPolarHBondContact CD-OG 3.45Å; P110-S113 VanDerWaalsContact N-OG 3.09Å; P110-S113 PolarHBondContact O-N 3.19Å; P110-S113 PolarHBondContact O-OG 3.34Å; S111-S113 PolarHBondContact O-N 2.75Å; S113-M115 PolarHBondContact O-N 2.61Å; S113-Y116 PolarHBondContact O-N 3.04Å; S113-S117 PolarHBondContact O-N 3.34Å; S113-S117 PolarHBondContact O-OG 3.41Å
114G98.4Very high97.3Very high0 Ų020.6 Ų20.60%013%0.13CC..Hα-helixtrans-51.2-38.1171.300000113.7S109 S111 L112 Y116 S117 L118 I137S109-G114 PolarHBondContact OG-N 3.04Å; S111-G114 PolarHBondContact O-N 3.41Å; L112-G114 PolarHBondContact O-N 3.48Å; G114-Y116 PolarHBondContact O-N 2.6Å; G114-Y116 VanDerWaalsContact O-N 3.16Å; G114-S117 WeakPolarHBondContact CA-OG 3.34Å; G114-S117 PolarHBondContact O-N 3.08Å; G114-L118 VanDerWaalsContact O-CB 3.29Å; G114-L118 WeakPolarHBondContact O-CB 3.44Å; G114-L118 WeakPolarHBondContact O-CG 3.21Å; G114-L118 PolarHBondContact O-N 3.33Å; G114-I137 CarbonylContact C-O 3.53Å; G114-I137 WeakPolarHBondContact CA-O 3.23Å
115M98.4Very high96.7Very high2 Ų222.1 Ų22.11%0.0115%0.154CC..Hα-helixtrans-63.4-22178.175-172.7-73.500113.3A82 P83 E86 A88 L112 S113 P119 I137A82-M115 HydrophobicContact CB-CE 4.31Å; P83-M115 WeakPolarHBondContact O-CE 3.32Å; E86-M115 VanDerWaalsContact O-CE 3.29Å; E86-M115 WeakPolarHBondContact O-CE 3.37Å; A88-M115 WeakPolarHBondContact CB-O 3.33Å; A88-M115 PolarHBondContact N-O 2.75Å; L112-M115 HydrophobicContact CD1-SD 3.72Å; L112-M115 HydrophobicContact CG-SD 4.26Å; L112-M115 VanDerWaalsContact O-CG 3.31Å; L112-M115 WeakPolarHBondContact O-CG 3.44Å; L112-M115 PolarHBondContact O-N 3.01Å; L112-M115 VanDerWaalsContact O-N 3.15Å; S113-M115 PolarHBondContact O-N 2.61Å; M115-P119 WeakPolarHBondContact O-CD 3.26Å; M115-I137 HydrophobicContact CB-CD1 4.21Å; M115-I137 HydrophobicContact CB-CG1 4.39Å; M115-I137 HydrophobicContact SD-CD1 4.45Å
116Y98.4Very high96.1Very high7 Ų723.7 Ų23.73%0.02717%0.165CC..Hα-helixtrans-98.6-42.6177.3-62.4-89.6000112L69 P81 A88 F92 L93 S113 G114L69-Y116 HydrophobicContact CD1-CD2 4.05Å; L69-Y116 HydrophobicContact CD1-CE2 4.03Å; L69-Y116 HydrophobicContact CD2-CD1 4.42Å; L69-Y116 HydrophobicContact CD2-CD2 3.98Å; L69-Y116 HydrophobicContact CD2-CE2 4.13Å; L69-Y116 HydrophobicContact CD2-CG 4.15Å; P81-Y116 HydrophobicContact CG-CD1 4.49Å; P81-Y116 HydrophobicContact CG-CE1 3.8Å; A88-Y116 HydrophobicContact CB-CD1 3.69Å; A88-Y116 HydrophobicContact CB-CE1 3.97Å; A88-Y116 HydrophobicContact CB-CG 4.29Å; F92-Y116 AromaticContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CD1 3.52Å; F92-Y116 HydrophobicContact CD1-CE1 4.02Å; F92-Y116 AromaticContact CE1-CD1 3.69Å; F92-Y116 HydrophobicContact CE1-CD1 3.69Å; F92-Y116 AromaticContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CE1-CE1 3.9Å; F92-Y116 HydrophobicContact CG-CD1 4.33Å; F92-Y116 HydrophobicContact CZ-CE1 4.43Å; L93-Y116 WeakPolarHBondContact CD1-O 3.29Å; S113-Y116 PolarHBondContact O-N 3.04Å; G114-Y116 PolarHBondContact O-N 2.6Å; G114-Y116 VanDerWaalsContact O-N 3.16Å
117S98.3Very high95.3Very high1 Ų129.2 Ų29.21%0.00719%0.19CC..Hα-helixtrans-76.7-36.2-171.967.20000113.4S109 S113 G114 F120 L121S109-S117 VanDerWaalsContact CB-OG 3.3Å; S109-S117 WeakPolarHBondContact CB-OG 3.15Å; S109-S117 VanDerWaalsContact OG-CB 3.26Å; S109-S117 WeakPolarHBondContact OG-CB 3.38Å; S109-S117 PolarHBondContact OG-OG 3.2Å; S113-S117 PolarHBondContact O-N 3.34Å; S113-S117 PolarHBondContact O-OG 3.41Å; G114-S117 WeakPolarHBondContact CA-OG 3.34Å; G114-S117 PolarHBondContact O-N 3.08Å; S117-F120 PolarHBondContact O-N 2.97Å; S117-L121 VanDerWaalsContact O-CB 3.32Å; S117-L121 WeakPolarHBondContact O-CB 3.42Å; S117-L121 PolarHBondContact O-N 2.82Å
118L98.2Very high95.1Very high3 Ų331 Ų312%0.01620%0.199CC..Hα-helixtrans-68-45.9-178-69173.8000112.3G114 F120 L121 V122 F131 I137 C138 T139 I142 Y147G114-L118 VanDerWaalsContact O-CB 3.29Å; G114-L118 WeakPolarHBondContact O-CB 3.44Å; G114-L118 WeakPolarHBondContact O-CG 3.21Å; G114-L118 PolarHBondContact O-N 3.33Å; L118-F120 PolarHBondContact O-N 3.31Å; L118-L121 HydrophobicContact CD2-CD2 4.29Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.25Å; L118-F131 HydrophobicContact CD2-CE1 4.22Å; L118-F131 HydrophobicContact CD2-CZ 4.17Å; L118-I137 WeakPolarHBondContact CD1-O 3.34Å; L118-C138 HydrophobicContact CD1-CB 4.44Å; L118-C138 WeakPolarHBondContact CD1-O 3.46Å; L118-T139 HydrophobicContact CD1-CG2 3.89Å; L118-I142 HydrophobicContact CB-CD1 4.15Å; L118-I142 HydrophobicContact CB-CG1 3.84Å; L118-I142 HydrophobicContact CD1-CG1 4.31Å; L118-Y147 HydrophobicContact CD2-CE1 4.05Å; L118-Y147 WeakPolarHBondContact CD2-OH 3.43Å
119P97.3Very high94.9Very high17 Ų1736.1 Ų36.111%0.1122%0.216CC..Hα-helixtrans-62.9-32173.9-28.141.1000113.1P87 A88 M115 A123P87-P119 HydrophobicContact CB-CG 3.59Å; A88-P119 WeakPolarHBondContact O-CB 3.48Å; A88-P119 WeakPolarHBondContact O-CG 3.45Å; M115-P119 WeakPolarHBondContact O-CD 3.26Å; P119-A123 WeakPolarHBondContact O-CB 3.34Å; P119-A123 PolarHBondContact O-N 3.48Å
120F97.3Very high94.9Very high11 Ų1137.3 Ų37.35%0.04823%0.229CC..Hα-helixtrans-71.9-38.2174.5177.4-128000112.4L93 A94 V97 V107 S117 L118 V122 A123 S126 L128L93-F120 HydrophobicContact CB-CB 3.86Å; L93-F120 HydrophobicContact CB-CD1 3.71Å; L93-F120 HydrophobicContact CB-CD2 4.12Å; L93-F120 HydrophobicContact CB-CE1 4.24Å; L93-F120 HydrophobicContact CB-CG 3.63Å; L93-F120 HydrophobicContact CD1-CB 3.99Å; L93-F120 HydrophobicContact CD1-CD1 3.97Å; L93-F120 HydrophobicContact CD1-CG 4.27Å; L93-F120 HydrophobicContact CG-CB 4.42Å; A94-F120 HydrophobicContact CB-CD2 4.21Å; A94-F120 HydrophobicContact CB-CE2 3.9Å; V97-F120 HydrophobicContact CG2-CE1 4.2Å; V97-F120 HydrophobicContact CG2-CZ 3.99Å; V107-F120 HydrophobicContact CG2-CE1 4.24Å; S117-F120 PolarHBondContact O-N 2.97Å; L118-F120 PolarHBondContact O-N 3.31Å; F120-V122 VanDerWaalsContact C-N 3.34Å; F120-V122 PolarHBondContact O-N 3.07Å; F120-A123 PolarHBondContact O-N 3.28Å; F120-S126 WeakPolarHBondContact O-CB 3.29Å; F120-S126 PolarHBondContact O-OG 2.94Å; F120-L128 HydrophobicContact CD1-CD1 4.42Å; F120-L128 HydrophobicContact CD1-CD2 4.13Å; F120-L128 HydrophobicContact CE1-CD1 4.45Å; F120-L128 HydrophobicContact CE1-CD2 3.43Å; F120-L128 VanDerWaalsContact CE1-CD2 3.43Å; F120-L128 HydrophobicContact CE1-CG 4.12Å; F120-L128 HydrophobicContact CZ-CD2 4.08Å
121L97.1Very high94.8Very high19 Ų1938.8 Ų38.810%0.09923%0.233CC..Hα-helixtrans-60.2-43.2177.9174.367.1000111.9S117 L118 L128 F131 V150S117-L121 VanDerWaalsContact O-CB 3.32Å; S117-L121 WeakPolarHBondContact O-CB 3.42Å; S117-L121 PolarHBondContact O-N 2.82Å; L118-L121 HydrophobicContact CD2-CD2 4.29Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.37Å; L121-L128 HydrophobicContact CB-CD1 4.18Å; L121-L128 HydrophobicContact CD1-CD1 3.53Å; L121-L128 HydrophobicContact CG-CD1 4.48Å; L121-F131 HydrophobicContact CD1-CB 4.17Å; L121-F131 HydrophobicContact CD1-CD1 4.41Å; L121-F131 HydrophobicContact CD1-CG 4.2Å; L121-F131 HydrophobicContact CD2-CD1 3.71Å; L121-F131 HydrophobicContact CD2-CE1 3.77Å; L121-F131 HydrophobicContact CD2-CG 4.26Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å; L121-V150 HydrophobicContact CD1-CG1 3.73Å; L121-V150 HydrophobicContact CD1-CG2 4.18Å; L121-V150 HydrophobicContact CD2-CG2 4.35Å; L121-V150 HydrophobicContact CG-CG1 4.33Å; L121-V150 HydrophobicContact CG-CG2 3.87Å
122V96.3Very high94.9Very high25 Ų2539.5 Ų39.515%0.15224%0.235CC..THydrogen-bonded Turntrans-95.33.2-177.4-54.80000113.6L118 F120 I142 D146 V150L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.25Å; F120-V122 VanDerWaalsContact C-N 3.34Å; F120-V122 PolarHBondContact O-N 3.07Å; V122-I142 HydrophobicContact CG1-CG2 3.86Å; V122-I142 HydrophobicContact CG2-CD1 4.33Å; V122-I142 HydrophobicContact CG2-CG2 4.39Å; V122-D146 HydrophobicContact CB-CB 4.02Å; V122-D146 HydrophobicContact CG1-CB 4.05Å; V122-D146 HydrophobicContact CG2-CB 4.28Å; V122-V150 HydrophobicContact CG1-CG2 4.05Å
123A93.6Very high94.9Very high29 Ų2942.2 Ų42.224%0.2425%0.253CS..SBendtrans-64.2138.4179.100000110.9P119 F120 G125 S126P119-A123 WeakPolarHBondContact O-CB 3.34Å; P119-A123 PolarHBondContact O-N 3.48Å; F120-A123 PolarHBondContact O-N 3.28Å; A123-G125 PolarHBondContact O-N 2.97Å; A123-S126 WeakPolarHBondContact O-CB 3.28Å; A123-S126 PolarHBondContact O-N 2.71Å
124P88.3Confident94.9Very high137 Ų13746 Ų4689%0.8928%0.276SS*.THydrogen-bonded Turntrans-55.1127.6174.8-2634.3000111.7S126P124-S126 PolarHBondContact O-N 3.39Å
125G82.8Confident94.8Very high76 Ų7650.2 Ų50.278%0.78431%0.312SS*.THydrogen-bonded Turntrans75.37.3-179.500000114.9A123 Q127A123-G125 PolarHBondContact O-N 2.97Å; G125-Q127 PolarHBondContact O-N 3.15Å
126S85.4Confident94.8Very high33 Ų3351.1 Ų51.123%0.23132%0.318CS..  trans-58.1126172.9-170.80000110.8F120 A123 P124F120-S126 WeakPolarHBondContact O-CB 3.29Å; F120-S126 PolarHBondContact O-OG 2.94Å; A123-S126 WeakPolarHBondContact O-CB 3.28Å; A123-S126 PolarHBondContact O-N 2.71Å; P124-S126 PolarHBondContact O-N 3.39Å
127Q82.4Confident94.8Very high141 Ų14153.4 Ų53.466%0.65933%0.329SS*.  trans-110.884.7178.3-63.9-166.1-25.300109.1P104 G125P104-Q127 WeakPolarHBondContact CA-O 3.42Å; P104-Q127 HydrophobicContact CB-CB 4.13Å; P104-Q127 VanDerWaalsContact CB-O 3.3Å; P104-Q127 WeakPolarHBondContact CB-O 3.49Å; P104-Q127 HydrophobicContact CG-CB 4.03Å; G125-Q127 PolarHBondContact O-N 3.15Å
128L93.5Very high94.7Very high39 Ų3953.7 Ų53.720%0.20433%0.331CS..  trans-94.3139167.9-70.5176.7000109.6P105 V107 F120 L121P105-L128 HydrophobicContact CG-CD2 4.13Å; V107-L128 HydrophobicContact CB-CD2 4.28Å; V107-L128 HydrophobicContact CG2-CD2 3.44Å; V107-L128 VanDerWaalsContact CG2-CD2 3.44Å; F120-L128 HydrophobicContact CD1-CD1 4.42Å; F120-L128 HydrophobicContact CD1-CD2 4.13Å; F120-L128 HydrophobicContact CE1-CD1 4.45Å; F120-L128 HydrophobicContact CE1-CD2 3.43Å; F120-L128 VanDerWaalsContact CE1-CD2 3.43Å; F120-L128 HydrophobicContact CE1-CG 4.12Å; F120-L128 HydrophobicContact CZ-CD2 4.08Å; L121-L128 HydrophobicContact CB-CD1 4.18Å; L121-L128 HydrophobicContact CD1-CD1 3.53Å; L121-L128 HydrophobicContact CG-CD1 4.48Å
129R95.9Very high94.7Very high133 Ų13356.8 Ų56.850%0.50235%0.351SS..SBendtrans-83.9-21.2170.5178.8164.9-80.8124.8-12.6112F33 P104 P105 V106F33-R129 VanDerWaalsContact CD1-CD 3.45Å; F33-R129 VanDerWaalsContact CG-CD 3.5Å; P104-R129 WeakPolarHBondContact O-CB 3.41Å; P104-R129 PolarHBondContact O-NH1 3.05Å; P105-R129 PolarHBondContact O-N 3.39Å; V106-R129 HydrophobicContact CG2-CB 4.25Å; V106-R129 HydrophobicContact CG2-CG 4.26Å
130G97.3Very high94.6Very high26 Ų2661.4 Ų61.427%0.26838%0.375SS..EExtended strand (participates in β ladder)trans-178.8160.4176.200000111.6V106 V107V106-G130 CarbonylContact C-O 3.55Å; V106-G130 VanDerWaalsContact CA-O 3.29Å; V106-G130 WeakPolarHBondContact CA-O 3.4Å; V107-G130 PolarHBondContact N-O 2.96Å
131F98.1Very high94.6Very high52 Ų5266.4 Ų66.423%0.22840%0.396CS..EExtended strand (participates in β ladder)trans-133.2127.4-179.1-176.1-122.3000110.3V107 L118 L121 P133V107-F131 HydrophobicContact CB-CD2 4.19Å; V107-F131 HydrophobicContact CG1-CD2 4.3Å; V107-F131 HydrophobicContact CG1-CE2 4.28Å; L118-F131 HydrophobicContact CD2-CE1 4.22Å; L118-F131 HydrophobicContact CD2-CZ 4.17Å; L121-F131 HydrophobicContact CD1-CB 4.17Å; L121-F131 HydrophobicContact CD1-CD1 4.41Å; L121-F131 HydrophobicContact CD1-CG 4.2Å; L121-F131 HydrophobicContact CD2-CD1 3.71Å; L121-F131 HydrophobicContact CD2-CE1 3.77Å; L121-F131 HydrophobicContact CD2-CG 4.26Å; L121-F131 HydrophobicContact CD2-CZ 4.37Å; F131-P133 HydrophobicContact CD1-CB 4.32Å; F131-P133 HydrophobicContact CD1-CG 4.03Å; F131-P133 HydrophobicContact CE1-CB 3.65Å; F131-P133 HydrophobicContact CE1-CG 3.8Å; F131-P133 HydrophobicContact CZ-CB 3.97Å; F131-P133 WeakPolarHBondContact O-CD 3.46Å
132V98.6Very high94.5Very high68 Ų6866.5 Ų66.541%0.41240%0.397SS..EExtended strand (participates in β ladder)trans-121.287.2-179.6-173.90000108.8V106 V107 I108 S109V106-V132 HydrophobicContact CG1-CG2 4.12Å; V107-V132 PolarHBondContact O-N 2.74Å; I108-V132 WeakPolarHBondContact CA-O 3.31Å; I108-V132 HydrophobicContact CG1-CB 4.16Å; I108-V132 HydrophobicContact CG1-CG2 4.44Å; S109-V132 PolarHBondContact N-O 2.89Å
133P98.1Very high94.5Very high67 Ų6769.2 Ų69.244%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-77.8137.4176.229.2-31.2000111.4F131 P136F131-P133 HydrophobicContact CD1-CB 4.32Å; F131-P133 HydrophobicContact CD1-CG 4.03Å; F131-P133 HydrophobicContact CE1-CB 3.65Å; F131-P133 HydrophobicContact CE1-CG 3.8Å; F131-P133 HydrophobicContact CZ-CB 3.97Å; F131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-P136 HydrophobicContact CB-CG 3.78Å
134V98.3Very high94.5Very high80 Ų8071.7 Ų71.749%0.48543%0.431SS..EExtended strand (participates in β ladder)trans-125.987.8173.2-174.50000109.1S109 P110 S111S109-V134 PolarHBondContact O-N 2.86Å; P110-V134 CarbonylContact C-O 3.5Å; P110-V134 VanDerWaalsContact CA-O 3.25Å; P110-V134 WeakPolarHBondContact CA-O 3.11Å; P110-V134 HydrophobicContact CB-CB 4.01Å; S111-V134 PolarHBondContact N-O 2.89Å
135A97.9Very high94.8Very high89 Ų8970.5 Ų70.574%0.73642%0.42SS*.SBendtrans46.754.7-174.700000113.6S111S111-A135 VanDerWaalsContact CA-O 3.26Å; S111-A135 WeakPolarHBondContact CA-O 3.22Å; S111-A135 PolarHBondContact N-O 2.86Å
136P97.7Very high95.3Very high21 Ų2169.7 Ų69.714%0.13640%0.398CS..  trans-66.6149.4-179.828.5-33.7000112S111 P133 T139S111-P136 WeakPolarHBondContact O-CA 3.29Å; P133-P136 HydrophobicContact CB-CG 3.78Å; P136-T139 HydrophobicContact CB-CG2 4.45Å; P136-T139 HydrophobicContact CG-CG2 3.75Å
137I98Very high95.7Very high54 Ų5472 Ų7228%0.27740%0.402SS..SBendtrans-78.5170.7167.267.4168.6000110.9S111 L112 G114 M115 L118 T139S111-I137 PolarHBondContact O-N 2.9Å; L112-I137 HydrophobicContact CD1-CD1 3.93Å; G114-I137 CarbonylContact C-O 3.53Å; G114-I137 WeakPolarHBondContact CA-O 3.23Å; M115-I137 HydrophobicContact CB-CD1 4.21Å; M115-I137 HydrophobicContact CB-CG1 4.39Å; M115-I137 HydrophobicContact SD-CD1 4.45Å; L118-I137 WeakPolarHBondContact CD1-O 3.34Å; I137-T139 PolarHBondContact O-N 2.74Å
138C97.6Very high96.1Very high7 Ų769.3 Ų69.35%0.04741%0.405CS..  trans64.115.7177-55.50000115G85 L118 D140 K141G85-C138 VanDerWaalsContact C-SG 3.59Å; G85-C138 PolarHBondContact O-SG 3.28Å; L118-C138 HydrophobicContact CD1-CB 4.44Å; L118-C138 WeakPolarHBondContact CD1-O 3.46Å; C138-D140 PolarHBondContact O-N 2.9Å; C138-K141 HydrophobicContact CB-CB 4.28Å; C138-K141 HydrophobicContact CB-CG 3.94Å; C138-K141 WeakPolarHBondContact O-CB 3.1Å; C138-K141 PolarHBondContact O-N 3.37Å
139T97.3Very high95.9Very high69 Ų6970.8 Ų70.842%0.42342%0.418SS..G310 helixtrans-63.7-30.6174.250.60000112.4L118 P136 I137 K141 Y147L118-T139 HydrophobicContact CD1-CG2 3.89Å; P136-T139 HydrophobicContact CB-CG2 4.45Å; P136-T139 HydrophobicContact CG-CG2 3.75Å; I137-T139 PolarHBondContact O-N 2.74Å; T139-K141 PolarHBondContact O-N 3.21Å; T139-Y147 PolarHBondContact O-OH 3.28Å
140D96.4Very high95.6Very high114 Ų11467.3 Ų67.361%0.6141%0.412SS*.G310 helixtrans-71.5-13.1173.666.7-62.6000113.4C138C138-D140 PolarHBondContact O-N 2.9Å
141K96.5Very high94.5Very high116 Ų11678.9 Ų78.950%0.50446%0.455SS..G310 helixtrans-90.2-12.6-177.7-54.7-57.3-178.9-151.40113.5P87 C138 T139P87-K141 HydrophobicContact CG-CB 3.68Å; P87-K141 HydrophobicContact CG-CG 4.12Å; C138-K141 HydrophobicContact CB-CB 4.28Å; C138-K141 HydrophobicContact CB-CG 3.94Å; C138-K141 WeakPolarHBondContact O-CB 3.1Å; C138-K141 PolarHBondContact O-N 3.37Å; T139-K141 PolarHBondContact O-N 3.21Å
142I95.6Very high94.3Very high21 Ų2180.2 Ų80.211%0.10847%0.466CS..SBendtrans-99.3128.2176-53.3-54.6000108.1L118 V122 D146 Y147L118-I142 HydrophobicContact CB-CD1 4.15Å; L118-I142 HydrophobicContact CB-CG1 3.84Å; L118-I142 HydrophobicContact CD1-CG1 4.31Å; V122-I142 HydrophobicContact CG1-CG2 3.86Å; V122-I142 HydrophobicContact CG2-CD1 4.33Å; V122-I142 HydrophobicContact CG2-CG2 4.39Å; I142-D146 HydrophobicContact CG2-CB 3.79Å; I142-Y147 HydrophobicContact CB-CD2 4.09Å; I142-Y147 HydrophobicContact CB-CE1 4.27Å; I142-Y147 HydrophobicContact CB-CE2 3.48Å; I142-Y147 VanDerWaalsContact CB-CE2 3.48Å; I142-Y147 HydrophobicContact CG1-CE2 4.46Å; I142-Y147 HydrophobicContact CG2-CD1 4.1Å; I142-Y147 HydrophobicContact CG2-CD2 3.72Å; I142-Y147 HydrophobicContact CG2-CE1 3.97Å; I142-Y147 HydrophobicContact CG2-CE2 3.61Å; I142-Y147 HydrophobicContact CG2-CG 3.97Å
143N94.8Very high94.1Very high81 Ų8180.8 Ų80.843%0.43347%0.469SS..  trans-77.4162.5-179.47155.8000111.2V145 D146 Y147N143-V145 PolarHBondContact O-N 2.8Å; N143-V145 WeakPolarHBondContact OD1-CA 3.5Å; N143-V145 WeakPolarHBondContact OD1-CB 3.27Å; N143-V145 PolarHBondContact OD1-N 2.84Å; N143-D146 VanDerWaalsContact CG-OD2 3.24Å; N143-D146 PolarHBondContact ND2-OD2 3.37Å; N143-D146 PolarHBondContact O-N 3.1Å; N143-D146 VanDerWaalsContact OD1-CG 3.32Å; N143-D146 PolarHBondContact OD1-N 2.93Å; N143-D146 PolarHBondContact OD1-OD2 3.14Å; N143-Y147 PolarHBondContact O-N 3.28Å
144A94.7Very high93.9Very high81 Ų8181.6 Ų81.667%0.66947%0.471SS*.Hα-helixtrans-63.2-29.3-177.500000113.5A148A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.48Å; A144-A148 PolarHBondContact O-N 3.27Å
145V93.9Very high93.6Very high112 Ų11281.7 Ų81.768%0.67947%0.47SS*.Hα-helixtrans-70-42.8179.7178.30000110.5N143 A148 S149N143-V145 PolarHBondContact O-N 2.8Å; N143-V145 WeakPolarHBondContact OD1-CA 3.5Å; N143-V145 WeakPolarHBondContact OD1-CB 3.27Å; N143-V145 PolarHBondContact OD1-N 2.84Å; V145-A148 PolarHBondContact O-N 2.96Å; V145-S149 PolarHBondContact O-N 3.48Å; V145-S149 VanDerWaalsContact O-N 3.08Å
146D93.4Very high93.3Very high60 Ų6081.3 Ų81.332%0.32145%0.453SS..Hα-helixtrans-63.8-43.2176.7-66-23.5000110.7V122 I142 N143 A148 S149V122-D146 HydrophobicContact CB-CB 4.02Å; V122-D146 HydrophobicContact CG1-CB 4.05Å; V122-D146 HydrophobicContact CG2-CB 4.28Å; I142-D146 HydrophobicContact CG2-CB 3.79Å; N143-D146 VanDerWaalsContact CG-OD2 3.24Å; N143-D146 PolarHBondContact ND2-OD2 3.37Å; N143-D146 PolarHBondContact O-N 3.1Å; N143-D146 VanDerWaalsContact OD1-CG 3.32Å; N143-D146 PolarHBondContact OD1-N 2.93Å; N143-D146 PolarHBondContact OD1-OD2 3.14Å; D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.26Å; D146-S149 WeakPolarHBondContact O-CB 3.48Å; D146-S149 PolarHBondContact O-N 2.88Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 PolarHBondContact O-OG 3.49Å
147Y93.1Very high93Very high80 Ų8085.3 Ų85.331%0.31447%0.474SS..Hα-helixtrans-61.9-40.7172.9-81-54.8000112.8L118 T139 I142 N143 S149 V150L118-Y147 HydrophobicContact CD2-CE1 4.05Å; L118-Y147 WeakPolarHBondContact CD2-OH 3.43Å; T139-Y147 PolarHBondContact O-OH 3.28Å; I142-Y147 HydrophobicContact CB-CD2 4.09Å; I142-Y147 HydrophobicContact CB-CE1 4.27Å; I142-Y147 HydrophobicContact CB-CE2 3.48Å; I142-Y147 VanDerWaalsContact CB-CE2 3.48Å; I142-Y147 HydrophobicContact CG1-CE2 4.46Å; I142-Y147 HydrophobicContact CG2-CD1 4.1Å; I142-Y147 HydrophobicContact CG2-CD2 3.72Å; I142-Y147 HydrophobicContact CG2-CE1 3.97Å; I142-Y147 HydrophobicContact CG2-CE2 3.61Å; I142-Y147 HydrophobicContact CG2-CG 3.97Å; N143-Y147 PolarHBondContact O-N 3.28Å; Y147-S149 PolarHBondContact O-N 3.47Å; Y147-V150 WeakPolarHBondContact O-CB 3.47Å; Y147-V150 PolarHBondContact O-N 2.85Å
148A91.6Very high92.7Very high86 Ų8687.5 Ų87.571%0.71149%0.488SS*.Hα-helixtrans-67.2-16.4177.700000113.2A144 V145 D146A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.48Å; A144-A148 PolarHBondContact O-N 3.27Å; V145-A148 PolarHBondContact O-N 2.96Å; D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.26Å
149S89Confident92.3Very high70 Ų7093.7 Ų93.749%0.4952%0.522SS..THydrogen-bonded Turntrans-81.1-15.8177.380.80000114V145 D146 Y147 K151V145-S149 PolarHBondContact O-N 3.48Å; V145-S149 VanDerWaalsContact O-N 3.08Å; D146-S149 WeakPolarHBondContact O-CB 3.48Å; D146-S149 PolarHBondContact O-N 2.88Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 PolarHBondContact O-OG 3.49Å; Y147-S149 PolarHBondContact O-N 3.47Å; S149-K151 PolarHBondContact O-N 3.11Å
150V88.8Confident91.9Very high60 Ų6095.8 Ų95.836%0.36453%0.531SS..  trans-69.8128.3178.7-177.90000109.4L121 V122 Y147L121-V150 HydrophobicContact CD1-CG1 3.73Å; L121-V150 HydrophobicContact CD1-CG2 4.18Å; L121-V150 HydrophobicContact CD2-CG2 4.35Å; L121-V150 HydrophobicContact CG-CG1 4.33Å; L121-V150 HydrophobicContact CG-CG2 3.87Å; V122-V150 HydrophobicContact CG1-CG2 4.05Å; Y147-V150 WeakPolarHBondContact O-CB 3.47Å; Y147-V150 PolarHBondContact O-N 2.85Å
151K75Confident91.5Very high268 Ų26894.1 Ų94.1100%1.16552%0.523SS*.  trans-104.30-177-66.2-174.9-179.3178.60112.9S149S149-K151 PolarHBondContact O-N 3.11Å

Retrieved 151 of 151 residues in 474.3 ms (Link to these results)

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