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RNA-binding protein 24

Multifunctional RNA-binding protein involved in the regulation of pre-mRNA splicing, mRNA stability and mRNA translation important for cell fate decision and differentiation1,2. Plays a major role in pre-mRNA alternative splicing regulation3,4. Mediates preferentially muscle-specific exon inclusion in numerous mRNAs important for striated cardiac and skeletal muscle cell differentiation5,6. Binds to intronic splicing enhancer (ISE) composed of stretches of GU-rich motifs localized in flanking intron of exon that will be included by alternative splicing7. Involved in embryonic stem cell (ESC) transition to cardiac cell differentiation by promoting pre-mRNA alternative splicing events of several pluripotency and/or differentiation genes. Plays a role in the regulation of mRNA stability. Binds to 3'-untranslated region (UTR) AU-rich elements in target transcripts, such as CDKN1A and MYOG, leading to maintain their stabilities. Involved in myogenic differentiation by regulating MYOG levels. Binds to multiple regions in the mRNA 3'-UTR of TP63, hence inducing its destabilization. Also promotes the destabilization of the CHRM2 mRNA via its binding to a region in the coding sequence. Plays a role in the regulation of mRNA translation. Mediates repression of p53/TP53 mRNA translation through its binding to U-rich element in the 3'-UTR, hence preventing EIF4E from binding to p53/TP53 mRNA and translation initiation. Binds to a huge amount of mRNAs (By similarity). Required for embryonic heart development, sarcomer and M-band formation in striated muscles8,9. Together with RBM20, promotes the expression of short isoforms of PDLIM5/ENH in cardiomyocytes (By similarity).

AlphaFold DB , UniProt , Accession D3Z4I3, Species MOUSE (Mus musculus, Mouse), Gene Rbm24, Length 236 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
1M52.6Low77.9Confident236 Ų236119.1 Ų119.1100%1.16361%0.606SS**  099010.5-77.8-176.700108.5T3M1-T3 PolarHBondContact O-N 3.4Å
2H54.3Low79.4Confident191 Ų191114.4 Ų114.488%0.88458%0.578SS**  trans-77.7111.5168.9-66.6105.3000107T4H2-T4 PolarHBondContact O-N 3.12Å; H2-T4 VanDerWaalsContact O-N 3.11Å
3T57.7Low80.8Confident125 Ų125105.6 Ų105.677%0.76753%0.534SS*.  trans-69.4105.3165.3-169.60000106.4M1 Q5M1-T3 PolarHBondContact O-N 3.4Å; T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.7Å
4T71.9Confident81.9Confident126 Ų126102.6 Ų102.677%0.77352%0.515SS*.  trans-63.9101.2171-61.40000106.2H2 K6H2-T4 PolarHBondContact O-N 3.12Å; H2-T4 VanDerWaalsContact O-N 3.11Å; T4-K6 PolarHBondContact O-N 3.38Å
5Q72.4Confident83Confident175 Ų17595.7 Ų95.782%0.81848%0.481SS*.  trans-61110.4171.8-75-139.757.800107.7T3 D7T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.7Å; Q5-D7 PolarHBondContact O-N 2.97Å
6K83.4Confident83.8Confident121 Ų12190.2 Ų90.253%0.52646%0.455SS..  trans-64124.3174.4-176.8-175.8-72.2170.90108.1T4 T8 E38T4-K6 PolarHBondContact O-N 3.38Å; K6-T8 HydrophobicContact CD-CG2 4.47Å; K6-T8 HydrophobicContact CG-CG2 4.41Å; K6-T8 PolarHBondContact O-N 3.4Å; K6-T8 VanDerWaalsContact O-N 3.14Å; K6-E38 VanDerWaalsContact CD-OE2 3.29Å; K6-E38 WeakPolarHBondContact CD-OE2 3.42Å; K6-E38 IonicContact NZ-OE1 2.71Å; K6-E38 PolarHBondContact NZ-OE1 2.81Å; K6-E38 IonicContact NZ-OE2 2.75Å; K6-E38 PolarHBondContact NZ-OE2 3.43Å
7D88.6Confident84.6Confident110 Ų11087.1 Ų87.159%0.58845%0.452SS*.  trans-68.9110.5173.1-172.7-3.3000108.9Q5 T9Q5-D7 PolarHBondContact O-N 2.97Å; D7-T9 WeakPolarHBondContact OD1-CB 3.5Å; D7-T9 PolarHBondContact OD1-N 2.77Å; D7-T9 PolarHBondContact OD1-OG1 2.75Å
8T92.2Very high85.2Confident46 Ų4682.3 Ų82.328%0.28243%0.427SS..  trans-102.912.5179.653.90000112.3K6 Y10 T11 K12 T58K6-T8 HydrophobicContact CD-CG2 4.47Å; K6-T8 HydrophobicContact CG-CG2 4.41Å; K6-T8 PolarHBondContact O-N 3.4Å; K6-T8 VanDerWaalsContact O-N 3.14Å; T8-Y10 VanDerWaalsContact C-N 3.26Å; T8-Y10 PolarHBondContact O-N 2.94Å; T8-T11 WeakPolarHBondContact CA-OG1 3.47Å; T8-T11 PolarHBondContact O-N 2.89Å; T8-K12 WeakPolarHBondContact O-CB 3.15Å; T8-K12 PolarHBondContact O-N 3.15Å; T8-T58 HydrophobicContact CG2-CG2 3.75Å
9T92.7Very high85.8Confident56 Ų5678.2 Ų78.234%0.34441%0.406SS..THydrogen-bonded Turntrans-55.7-42-177.3-58.10000111.6D7 Y87D7-T9 WeakPolarHBondContact OD1-CB 3.5Å; D7-T9 PolarHBondContact OD1-N 2.77Å; D7-T9 PolarHBondContact OD1-OG1 2.75Å; T9-Y87 HydrophobicContact CG2-CD1 4.13Å; T9-Y87 HydrophobicContact CG2-CG 4.06Å; T9-Y87 VanDerWaalsContact O-CD1 3.26Å; T9-Y87 WeakPolarHBondContact O-CD1 3.4Å
10Y94.6Very high86.3Confident109 Ų10982.3 Ų82.343%0.42742%0.417SS..THydrogen-bonded Turntrans-102.5-1.7-177.6-56.9-74.7000114.6T8 A65 Y87T8-Y10 VanDerWaalsContact C-N 3.26Å; T8-Y10 PolarHBondContact O-N 2.94Å; Y10-A65 WeakPolarHBondContact O-CB 3.14Å; Y10-Y87 HydrophobicContact CD1-CE1 4.26Å; Y10-Y87 HydrophobicContact CE1-CE1 4.35Å
11T96.2Very high86.7Confident15 Ų1584.9 Ų84.99%0.09243%0.427CS..THydrogen-bonded Turntrans-109.6-17.6178.260.70000113T8 M59 R62T8-T11 WeakPolarHBondContact CA-OG1 3.47Å; T8-T11 PolarHBondContact O-N 2.89Å; T11-M59 VanDerWaalsContact CB-O 3.3Å; T11-M59 WeakPolarHBondContact CB-O 3.43Å; T11-M59 PolarHBondContact O-N 2.76Å; T11-R62 HydrophobicContact CG2-CB 4.4Å
12K96.6Very high88.7Confident63 Ų6373.9 Ų73.927%0.27437%0.373SS..EExtended strand (participates in β ladder)trans-87126178.6-166.5169.3-173.1155.30111.4T8 F56 V57 A86T8-K12 WeakPolarHBondContact O-CB 3.15Å; T8-K12 PolarHBondContact O-N 3.15Å; K12-F56 HydrophobicContact CG-CD1 4.49Å; K12-V57 CarbonylContact C-O 3.51Å; K12-V57 WeakPolarHBondContact CA-O 3.25Å; K12-A86 HydrophobicContact CB-CB 4.08Å; K12-A86 HydrophobicContact CD-CB 4.23Å; K12-A86 HydrophobicContact CG-CB 3.74Å; K12-A86 WeakPolarHBondContact O-CB 3.48Å; K12-A86 PolarHBondContact O-N 2.72Å
13I97.1Very high90.7Very high0 Ų068.2 Ų68.20%035%0.352CS..EExtended strand (participates in β ladder)trans-114.5131.7-176-53.1173.9000108.2V15 F31 F56 V57 M59 A65 A68 V83 N84I13-V15 HydrophobicContact CG2-CG2 4.22Å; I13-F31 HydrophobicContact CD1-CD1 4.47Å; I13-F31 HydrophobicContact CD1-CE1 4.45Å; I13-F56 VanDerWaalsContact O-CA 3.3Å; I13-F56 WeakPolarHBondContact O-CA 3.42Å; I13-V57 HydrophobicContact CB-CB 4.35Å; I13-V57 PolarHBondContact N-O 3.18Å; I13-V57 PolarHBondContact O-N 2.97Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.13Å; I13-M59 HydrophobicContact CG1-CG 4.44Å; I13-A65 HydrophobicContact CD1-CB 4.02Å; I13-A65 HydrophobicContact CG1-CB 4.1Å; I13-A68 HydrophobicContact CD1-CB 3.7Å; I13-V83 HydrophobicContact CG2-CG1 3.27Å; I13-N84 CarbonylContact C-O 3.58Å; I13-N84 WeakPolarHBondContact CA-O 3.44Å
14F97Very high92.5Very high63 Ų6366.9 Ų66.928%0.27634%0.34SS..EExtended strand (participates in β ladder)trans-86.9132.4166.4169.2-98.7000109.5Y54 F56 V83 N84 A86F14-Y54 AromaticContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; F14-F56 HydrophobicContact CB-CD1 4.42Å; F14-F56 HydrophobicContact CB-CE1 4.2Å; F14-F56 HydrophobicContact CD2-CD1 4.5Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; F14-V83 WeakPolarHBondContact O-CA 3.31Å; F14-N84 PolarHBondContact N-O 2.76Å; F14-N84 PolarHBondContact O-N 3.06Å; F14-A86 HydrophobicContact CB-CB 4.35Å
15V97.1Very high93.7Very high0 Ų063.7 Ų63.70%033%0.327CS..EExtended strand (participates in β ladder)trans-124.3108.7177-170.10000108.5I13 L18 F31 Y54 G55 V57 I76 A81 N82 V83I13-V15 HydrophobicContact CG2-CG2 4.22Å; V15-L18 HydrophobicContact CG1-CD1 4.24Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.03Å; V15-F31 HydrophobicContact CB-CZ 4.5Å; V15-F31 HydrophobicContact CG1-CE2 4.21Å; V15-F31 HydrophobicContact CG1-CZ 4.22Å; V15-F31 HydrophobicContact CG2-CE1 4.4Å; V15-F31 HydrophobicContact CG2-CE2 3.65Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; V15-Y54 CarbonylContact O-C 3.56Å; V15-Y54 WeakPolarHBondContact O-CA 3.5Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; V15-G55 PolarHBondContact N-O 3.45Å; V15-G55 PolarHBondContact O-N 2.81Å; V15-V57 HydrophobicContact CG2-CG2 4.01Å; V15-I76 HydrophobicContact CG1-CD1 3.92Å; V15-A81 HydrophobicContact CG1-CB 4.43Å; V15-N82 CarbonylContact C-O 3.53Å; V15-N82 WeakPolarHBondContact CA-O 3.31Å; V15-V83 HydrophobicContact CG1-CG2 4.25Å
16G96.9Very high94.8Very high7 Ų756.8 Ų56.87%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-107.3163.7177.700000112.6L18 A81 N82G16-L18 VanDerWaalsContact C-N 3.34Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.26Å; G16-A81 VanDerWaalsContact O-CB 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.37Å; G16-N82 PolarHBondContact N-O 2.8Å; G16-N82 PolarHBondContact O-N 3.41Å
17G96.4Very high95.3Very high38 Ų3851 Ų5139%0.39227%0.273SS..SBendtrans76.421.6176.300000114G53 R79G17-G53 PolarHBondContact N-O 3.06Å; G17-R79 WeakPolarHBondContact O-CD 3.33Å; G17-R79 WeakPolarHBondContact O-CG 3.12Å
18L96.6Very high95.7Very high0 Ų052.3 Ų52.30%027%0.269CS..  trans-69146.3176.6-63.2171.7000111V15 G16 T22 L27 V42 G53 I76 R79 A81V15-L18 HydrophobicContact CG1-CD1 4.24Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.03Å; G16-L18 VanDerWaalsContact C-N 3.34Å; L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CD2-CG2 4.31Å; L18-L27 HydrophobicContact CD1-CD1 3.57Å; L18-V42 HydrophobicContact CD1-CG2 4.49Å; L18-G53 PolarHBondContact N-O 3.26Å; L18-I76 HydrophobicContact CD2-CB 4.25Å; L18-I76 HydrophobicContact CD2-CD1 3.9Å; L18-I76 HydrophobicContact CD2-CG2 4.11Å; L18-R79 PolarHBondContact O-NH1 3.41Å; L18-A81 HydrophobicContact CD2-CB 4.49Å
19P96Very high95.9Very high5 Ų558 Ų583%0.03229%0.29CS..  trans-56.7147.5164.2-2838.2000112.3H21 T22 D77 R79P19-H21 WeakPolarHBondContact CB-CE1 3.43Å; P19-H21 PolarHBondContact O-N 2.79Å; P19-H21 VanDerWaalsContact O-N 3.16Å; P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.5Å; P19-T22 WeakPolarHBondContact O-CB 3.33Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 VanDerWaalsContact O-N 3.09Å; P19-T22 PolarHBondContact O-OG1 2.99Å; P19-D77 HydrophobicContact CG-CB 3.91Å; P19-R79 HydrophobicContact CG-CB 3.53Å; P19-R79 HydrophobicContact CG-CG 4.44Å
20Y95.9Very high96Very high160 Ų16058.9 Ų58.963%0.62729%0.288SS*.THydrogen-bonded Turntrans-69-13-179.2-59.1-43.5000113.9S51Y20-S51 WeakPolarHBondContact CD1-O 3.3Å; Y20-S51 WeakPolarHBondContact O-CB 3.49Å
21H94.6Very high96.1Very high136 Ų13653.7 Ų53.763%0.6327%0.267SS*.THydrogen-bonded Turntrans-95-4.1175.663-99.9000113.2P19 T23P19-H21 WeakPolarHBondContact CB-CE1 3.43Å; P19-H21 PolarHBondContact O-N 2.79Å; P19-H21 VanDerWaalsContact O-N 3.16Å; H21-T23 PolarHBondContact O-N 3.29Å
22T95.4Very high96.1Very high6 Ų658.5 Ų58.54%0.03729%0.289CS..  trans-66.9127.6176.5-62.40000109.7L18 P19 S26 L27 V42 D77L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CD2-CG2 4.31Å; P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.5Å; P19-T22 WeakPolarHBondContact O-CB 3.33Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 VanDerWaalsContact O-N 3.09Å; P19-T22 PolarHBondContact O-OG1 2.99Å; T22-S26 WeakPolarHBondContact CG2-OG 3.36Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; T22-V42 HydrophobicContact CG2-CG2 4.45Å; T22-D77 WeakPolarHBondContact CB-OD2 3.48Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T22-D77 PolarHBondContact OG1-OD2 3.22Å
23T95.8Very high96.1Very high71 Ų7161 Ų6144%0.43631%0.309SS..  trans-98.5165.5175.862.70000111.1H21 A25 S26 L27H21-T23 PolarHBondContact O-N 3.29Å; T23-A25 PolarHBondContact O-N 3.11Å; T23-S26 PolarHBondContact N-OG 3.3Å; T23-S26 PolarHBondContact O-N 2.59Å; T23-S26 PolarHBondContact O-OG 2.93Å; T23-S26 PolarHBondContact OG1-N 3.14Å; T23-S26 PolarHBondContact OG1-OG 3.38Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 2.99Å
24D96.1Very high96Very high97 Ų9762.9 Ų62.952%0.51932%0.317SS..Hα-helixtrans-52.9-41.1169.850.6-79.9000111.7L27 R28D24-L27 PolarHBondContact O-N 3.02Å; D24-R28 WeakPolarHBondContact O-CB 3.22Å; D24-R28 PolarHBondContact O-N 2.93Å
25A96.1Very high96Very high59 Ų5960.8 Ų60.849%0.48831%0.313SS..Hα-helixtrans-64.2-45.817800000113.4T23 L27 R28 K29T23-A25 PolarHBondContact O-N 3.11Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.9Å; A25-R28 PolarHBondContact O-N 2.77Å; A25-K29 WeakPolarHBondContact O-CB 3.17Å; A25-K29 PolarHBondContact O-N 2.77Å
26S94.7Very high95.9Very high30 Ų3066.2 Ų66.221%0.2134%0.342CS..Hα-helixtrans-63.8-40.9176.843.50000111.7T22 T23 K29 Y30T22-S26 WeakPolarHBondContact CG2-OG 3.36Å; T23-S26 PolarHBondContact N-OG 3.3Å; T23-S26 PolarHBondContact O-N 2.59Å; T23-S26 PolarHBondContact O-OG 2.93Å; T23-S26 PolarHBondContact OG1-N 3.14Å; T23-S26 PolarHBondContact OG1-OG 3.38Å; S26-K29 PolarHBondContact O-N 2.99Å; S26-Y30 PolarHBondContact O-N 3.32Å; S26-Y30 VanDerWaalsContact O-N 3.08Å
27L95.9Very high95.9Very high0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-67.3-43.3178.7176.3159.1000110.4L18 T22 T23 D24 A25 K29 Y30 F31 A40 V42 V57L18-L27 HydrophobicContact CD1-CD1 3.57Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 2.99Å; D24-L27 PolarHBondContact O-N 3.02Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.9Å; L27-K29 PolarHBondContact O-N 3.28Å; L27-Y30 PolarHBondContact O-N 3.24Å; L27-F31 HydrophobicContact CD2-CD2 4.28Å; L27-F31 HydrophobicContact CG-CD2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.38Å; L27-F31 PolarHBondContact O-N 3.14Å; L27-A40 HydrophobicContact CD2-CB 3.74Å; L27-V42 HydrophobicContact CB-CG2 4.31Å; L27-V42 HydrophobicContact CD1-CG2 3.83Å; L27-V57 HydrophobicContact CD2-CG2 3.22Å; L27-V57 HydrophobicContact CG-CG2 4.15Å
28R96.5Very high95.9Very high137 Ų13769.4 Ų69.452%0.51735%0.346SS..Hα-helixtrans-57.4-49.9173.3-172.5-178.9-176.4167.73.8111.6D24 A25 Y30 F31 E32 I37 A40D24-R28 WeakPolarHBondContact O-CB 3.22Å; D24-R28 PolarHBondContact O-N 2.93Å; A25-R28 PolarHBondContact O-N 2.77Å; R28-Y30 PolarHBondContact O-N 3.34Å; R28-F31 PolarHBondContact O-N 2.83Å; R28-F31 VanDerWaalsContact O-N 3.1Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 PolarHBondContact O-N 3Å; R28-I37 HydrophobicContact CB-CD1 4.29Å; R28-I37 HydrophobicContact CG-CB 4.44Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.38Å; R28-I37 WeakPolarHBondContact O-CD1 3.42Å; R28-A40 HydrophobicContact CB-CB 3.85Å; R28-A40 HydrophobicContact CG-CB 4.26Å
29K96.1Very high95.9Very high165 Ų16574.3 Ų74.372%0.71737%0.368SS*.Hα-helixtrans-57.5-36.1179.9-174.1178.4-179.5-179.70112.5A25 S26 L27A25-K29 WeakPolarHBondContact O-CB 3.17Å; A25-K29 PolarHBondContact O-N 2.77Å; S26-K29 PolarHBondContact O-N 2.99Å; L27-K29 PolarHBondContact O-N 3.28Å
30Y95.4Very high95.9Very high75 Ų7574.9 Ų74.929%0.29437%0.373SS..Hα-helixtrans-67.2-43.8176.7-175.4-95.2000112.3S26 L27 R28 V33 F34 P74 I76S26-Y30 PolarHBondContact O-N 3.32Å; S26-Y30 VanDerWaalsContact O-N 3.08Å; L27-Y30 PolarHBondContact O-N 3.24Å; R28-Y30 PolarHBondContact O-N 3.34Å; Y30-V33 VanDerWaalsContact O-CG1 3.27Å; Y30-V33 WeakPolarHBondContact O-CG1 3.07Å; Y30-F34 HydrophobicContact CD1-CE2 4.46Å; Y30-F34 HydrophobicContact CE1-CE2 4.03Å; Y30-P74 HydrophobicContact CE1-CB 3.99Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.02Å; Y30-I76 HydrophobicContact CD1-CD1 3.78Å; Y30-I76 HydrophobicContact CD1-CG1 3.88Å; Y30-I76 HydrophobicContact CD2-CG1 4.14Å; Y30-I76 HydrophobicContact CE1-CD1 3.96Å; Y30-I76 HydrophobicContact CE1-CG1 3.87Å; Y30-I76 HydrophobicContact CE2-CG1 4.14Å; Y30-I76 HydrophobicContact CG-CD1 4.27Å; Y30-I76 HydrophobicContact CG-CG1 4.03Å
31F96.1Very high96Very high0 Ų069.5 Ų69.50%036%0.357CS..Hα-helixtrans-83-17.4-175.8-77.2-86000114.2I13 V15 L27 R28 V33 F34 I37 V57 M59 A68 I76 V83I13-F31 HydrophobicContact CD1-CD1 4.47Å; I13-F31 HydrophobicContact CD1-CE1 4.45Å; V15-F31 HydrophobicContact CB-CZ 4.5Å; V15-F31 HydrophobicContact CG1-CE2 4.21Å; V15-F31 HydrophobicContact CG1-CZ 4.22Å; V15-F31 HydrophobicContact CG2-CE1 4.4Å; V15-F31 HydrophobicContact CG2-CE2 3.65Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; L27-F31 HydrophobicContact CD2-CD2 4.28Å; L27-F31 HydrophobicContact CG-CD2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.38Å; L27-F31 PolarHBondContact O-N 3.14Å; R28-F31 PolarHBondContact O-N 2.83Å; R28-F31 VanDerWaalsContact O-N 3.1Å; F31-V33 PolarHBondContact O-N 2.82Å; F31-F34 HydrophobicContact CD1-CD2 4.01Å; F31-F34 HydrophobicContact CD1-CE2 4.24Å; F31-F34 PolarHBondContact O-N 2.77Å; F31-I37 HydrophobicContact CB-CD1 3.73Å; F31-I37 HydrophobicContact CB-CG1 4.42Å; F31-V57 HydrophobicContact CB-CG1 4.09Å; F31-V57 HydrophobicContact CD2-CG2 3.71Å; F31-V57 HydrophobicContact CE2-CG2 3.95Å; F31-V57 HydrophobicContact CG-CG1 4.17Å; F31-V57 HydrophobicContact CG-CG2 4.1Å; F31-M59 HydrophobicContact CB-SD 4.41Å; F31-A68 HydrophobicContact CD1-CB 3.86Å; F31-A68 HydrophobicContact CE1-CB 3.97Å; F31-I76 HydrophobicContact CE2-CD1 4.07Å; F31-I76 HydrophobicContact CZ-CD1 4.4Å; F31-V83 HydrophobicContact CE1-CG1 4.25Å; F31-V83 HydrophobicContact CE1-CG2 4.49Å; F31-V83 HydrophobicContact CZ-CG1 4.4Å; F31-V83 HydrophobicContact CZ-CG2 4Å
32E96.2Very high96.1Very high117 Ų11764.1 Ų64.155%0.54733%0.334SS..G310 helixtrans-61-27.9-178.8-174.4176.817900112.3R28 F34 G35 I37R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 PolarHBondContact O-N 3Å; E32-F34 PolarHBondContact O-N 3.04Å; E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.14Å; E32-I37 HydrophobicContact CB-CD1 4.15Å
33V95.7Very high96.1Very high115 Ų11566 Ų6670%0.69734%0.344SS*.G310 helixtrans-62-25.8175.173.40000113.2Y30 F31Y30-V33 VanDerWaalsContact O-CG1 3.27Å; Y30-V33 WeakPolarHBondContact O-CG1 3.07Å; F31-V33 PolarHBondContact O-N 2.82Å
34F95.7Very high96.2Very high40 Ų4066.3 Ų66.318%0.17535%0.345CS..G310 helixtrans-89-11.4179.8-55.6-70.1000112.9Y30 F31 E32 M59 A64 R67 A68Y30-F34 HydrophobicContact CD1-CE2 4.46Å; Y30-F34 HydrophobicContact CE1-CE2 4.03Å; F31-F34 HydrophobicContact CD1-CD2 4.01Å; F31-F34 HydrophobicContact CD1-CE2 4.24Å; F31-F34 PolarHBondContact O-N 2.77Å; E32-F34 PolarHBondContact O-N 3.04Å; F34-M59 HydrophobicContact CB-CE 4.4Å; F34-A64 VanDerWaalsContact O-CB 3.28Å; F34-A64 WeakPolarHBondContact O-CB 3.35Å; F34-R67 HydrophobicContact CB-CB 4.46Å; F34-R67 HydrophobicContact CD1-CB 4.24Å; F34-R67 VanDerWaalsContact O-CZ 3.22Å; F34-R67 PolarHBondContact O-NE 2.86Å; F34-R67 VanDerWaalsContact O-NE 3.16Å; F34-R67 PolarHBondContact O-NH2 3.2Å; F34-A68 HydrophobicContact CB-CB 4.16Å; F34-A68 HydrophobicContact CD2-CB 3.77Å; F34-A68 HydrophobicContact CE2-CB 4.3Å; F34-A68 HydrophobicContact CG-CB 3.91Å
35G95.9Very high96.1Very high18 Ų1864.3 Ų64.319%0.18633%0.334CS..SBendtrans144.5-176.8-179.500000112.8E32 M59E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.14Å; G35-M59 WeakPolarHBondContact O-CE 3.35Å
36D96.8Very high96.1Very high115 Ų11573.1 Ų73.162%0.61536%0.355SS*.  trans-67.5139.4-178.2-66.1-56.3000112.3A60D36-A60 HydrophobicContact CB-CB 3.87Å; D36-A60 WeakPolarHBondContact O-CB 3.42Å; D36-A60 PolarHBondContact O-N 3.46Å
37I96.8Very high96.1Very high19 Ų1980.5 Ų80.510%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-106.9125.6-178.6-62.4169.9000109.4R28 F31 E32 A40 V57 M59R28-I37 HydrophobicContact CB-CD1 4.29Å; R28-I37 HydrophobicContact CG-CB 4.44Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.38Å; R28-I37 WeakPolarHBondContact O-CD1 3.42Å; F31-I37 HydrophobicContact CB-CD1 3.73Å; F31-I37 HydrophobicContact CB-CG1 4.42Å; E32-I37 HydrophobicContact CB-CD1 4.15Å; I37-A40 HydrophobicContact CG2-CB 4.02Å; I37-V57 HydrophobicContact CG1-CG1 4.4Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; I37-M59 HydrophobicContact CG1-CE 4.01Å; I37-M59 HydrophobicContact CG1-SD 4.02Å
38E96.1Very high96.1Very high93 Ų9384.3 Ų84.344%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-80.2-45.7172.5179.7170.1-173.400111.4K6 T58K6-E38 VanDerWaalsContact CD-OE2 3.29Å; K6-E38 WeakPolarHBondContact CD-OE2 3.42Å; K6-E38 IonicContact NZ-OE1 2.71Å; K6-E38 PolarHBondContact NZ-OE1 2.81Å; K6-E38 IonicContact NZ-OE2 2.75Å; K6-E38 PolarHBondContact NZ-OE2 3.43Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.37Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 3.22Å
39E96Very high96Very high102 Ų10280.4 Ų80.448%0.47741%0.412SS..EExtended strand (participates in β ladder)trans-149.6138.8-179.1-173.3179.6-14100110.8V41 V57 T58E39-V41 HydrophobicContact CG-CG1 4Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.48Å; E39-T58 PolarHBondContact N-O 2.99Å; E39-T58 PolarHBondContact O-N 3.44Å
40A97Very high95.9Very high17 Ų1779.7 Ų79.714%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-136.6117175.900000108.8L27 R28 I37L27-A40 HydrophobicContact CD2-CB 3.74Å; R28-A40 HydrophobicContact CB-CB 3.85Å; R28-A40 HydrophobicContact CG-CB 4.26Å; I37-A40 HydrophobicContact CG2-CB 4.02Å
41V96.9Very high95.9Very high48 Ų4876.8 Ų76.829%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-135.3128.1-175.3-680000111.5E39 I43 G55 F56E39-V41 HydrophobicContact CG-CG1 4Å; V41-I43 HydrophobicContact CG2-CD1 4.36Å; V41-G55 CarbonylContact O-C 3.47Å; V41-G55 WeakPolarHBondContact O-CA 3.25Å; V41-F56 HydrophobicContact CG2-CB 4.05Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 2.91Å
42V97.1Very high95.9Very high22 Ų2284 Ų8413%0.13343%0.426CS..EExtended strand (participates in β ladder)trans-91.9129.3168177.20000108.1L18 T22 L27 T44 S51L18-V42 HydrophobicContact CD1-CG2 4.49Å; T22-V42 HydrophobicContact CG2-CG2 4.45Å; L27-V42 HydrophobicContact CB-CG2 4.31Å; L27-V42 HydrophobicContact CD1-CG2 3.83Å; V42-T44 PolarHBondContact O-N 2.71Å; V42-S51 WeakPolarHBondContact CG1-OG 3.3Å
43I96.3Very high95.9Very high47 Ų4778.8 Ų78.824%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-83.9119.7-179.7-54.2-54.2000109.5V41 R52 Y54 F56V41-I43 HydrophobicContact CG2-CD1 4.36Å; I43-R52 WeakPolarHBondContact O-CB 3.44Å; I43-R52 PolarHBondContact O-N 2.76Å; I43-Y54 HydrophobicContact CB-CD2 4.13Å; I43-Y54 HydrophobicContact CB-CE1 4.34Å; I43-Y54 HydrophobicContact CB-CE2 3.65Å; I43-Y54 HydrophobicContact CG1-CD2 3.94Å; I43-Y54 HydrophobicContact CG1-CE2 3.48Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.48Å; I43-Y54 HydrophobicContact CG2-CE1 4.4Å; I43-Y54 HydrophobicContact CG2-CE2 4.04Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.3Å; I43-Y54 PolarHBondContact N-O 3.21Å; I43-F56 HydrophobicContact CD1-CD2 4.15Å; I43-F56 HydrophobicContact CD1-CE2 4.44Å; I43-F56 HydrophobicContact CG1-CD2 4.06Å; I43-F56 HydrophobicContact CG1-CE2 4.09Å
44T96Very high95.9Very high77 Ų7775.9 Ų75.947%0.47238%0.381SS..EExtended strand (participates in β ladder)trans-102.7154.9174.657.20000110.8V42 K50V42-T44 PolarHBondContact O-N 2.71Å; T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.25Å; T44-K50 WeakPolarHBondContact CA-O 3.18Å; T44-K50 WeakPolarHBondContact CB-O 3.38Å
45D95.9Very high96Very high54 Ų5474 Ų7429%0.28937%0.373SS..PPolyproline II helixtrans-74.4128.5169.9172.415.7000109.5Q47 T48 G49 K50 R52D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.97Å; D45-Q47 PolarHBondContact OD1-N 2.8Å; D45-T48 WeakPolarHBondContact CB-OG1 3.29Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-OG1 2.82Å; D45-G49 VanDerWaalsContact O-CA 3.22Å; D45-G49 WeakPolarHBondContact O-CA 3.32Å; D45-G49 PolarHBondContact O-N 2.98Å; D45-K50 PolarHBondContact N-O 3.02Å; D45-R52 HydrophobicContact CB-CG 4.23Å
46R95Very high96Very high245 Ų24575.6 Ų75.693%0.92538%0.375SS*.THydrogen-bonded Turntrans-66.7-27.6-177.4-172.3179-66.4172.2-1.1112.7
47Q95.8Very high96.1Very high185 Ų18570.1 Ų70.186%0.86435%0.346SS*.THydrogen-bonded Turntrans-82-44.9-178.9-67.6-173.1-20.300112D45D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.97Å; D45-Q47 PolarHBondContact OD1-N 2.8Å
48T95.2Very high96.1Very high80 Ų8069.4 Ų69.449%0.49134%0.342SS..THydrogen-bonded Turntrans-97.1-16.2-174.262.20000114.1D45 K50D45-T48 WeakPolarHBondContact CB-OG1 3.29Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-OG1 2.82Å; T48-K50 PolarHBondContact O-N 2.74Å; T48-K50 PolarHBondContact OG1-N 2.73Å
49G93.9Very high96.1Very high54 Ų5465 Ų6556%0.55732%0.322SS*.  trans70.20.2-172.100000114.3D45D45-G49 VanDerWaalsContact O-CA 3.22Å; D45-G49 WeakPolarHBondContact O-CA 3.32Å; D45-G49 PolarHBondContact O-N 2.98Å
50K94.3Very high96.1Very high150 Ų15062.4 Ų62.465%0.65232%0.318SS*.  trans-81147.9-176.8-63.3-177.2179.8-176.20111.1T44 D45 T48 R52T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.25Å; T44-K50 WeakPolarHBondContact CA-O 3.18Å; T44-K50 WeakPolarHBondContact CB-O 3.38Å; D45-K50 PolarHBondContact N-O 3.02Å; T48-K50 PolarHBondContact O-N 2.74Å; T48-K50 PolarHBondContact OG1-N 2.73Å; K50-R52 PolarHBondContact O-N 2.75Å
51S95.4Very high96.1Very high15 Ų1566 Ų6611%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-60.8134.3172.5176.50000111Y20 V42 G53Y20-S51 WeakPolarHBondContact CD1-O 3.3Å; Y20-S51 WeakPolarHBondContact O-CB 3.49Å; V42-S51 WeakPolarHBondContact CG1-OG 3.3Å; S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 2.81Å; S51-G53 VanDerWaalsContact OG-N 3.14Å
52R95.8Very high96Very high150 Ų15070.2 Ų70.257%0.56635%0.345SS*.EExtended strand (participates in β ladder)trans-78.1-0.6173-61.1-173.468.8-176.6-0.8112.6I43 D45 K50 Y54I43-R52 WeakPolarHBondContact O-CB 3.44Å; I43-R52 PolarHBondContact O-N 2.76Å; D45-R52 HydrophobicContact CB-CG 4.23Å; K50-R52 PolarHBondContact O-N 2.75Å; R52-Y54 VanDerWaalsContact C-N 3.34Å; R52-Y54 HydrophobicContact CB-CD1 3.62Å; R52-Y54 HydrophobicContact CB-CE1 3.38Å; R52-Y54 HydrophobicContact CG-CE1 4.18Å; R52-Y54 PolarHBondContact NH1-OH 2.9Å
53G95.8Very high95.9Very high8 Ų872 Ų728%0.08236%0.362CS..EExtended strand (participates in β ladder)trans76.819.7-179.200000113.9G17 L18 S51G17-G53 PolarHBondContact N-O 3.06Å; L18-G53 PolarHBondContact N-O 3.26Å; S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 2.81Å; S51-G53 VanDerWaalsContact OG-N 3.14Å
54Y96.9Very high95.9Very high55 Ų5569.7 Ų69.722%0.21635%0.351CS..EExtended strand (participates in β ladder)trans-145.3158.9172.173.1-87.7000111.5F14 V15 I43 R52 F56F14-Y54 AromaticContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; V15-Y54 CarbonylContact O-C 3.56Å; V15-Y54 WeakPolarHBondContact O-CA 3.5Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; I43-Y54 HydrophobicContact CB-CD2 4.13Å; I43-Y54 HydrophobicContact CB-CE1 4.34Å; I43-Y54 HydrophobicContact CB-CE2 3.65Å; I43-Y54 HydrophobicContact CG1-CD2 3.94Å; I43-Y54 HydrophobicContact CG1-CE2 3.48Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.48Å; I43-Y54 HydrophobicContact CG2-CE1 4.4Å; I43-Y54 HydrophobicContact CG2-CE2 4.04Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.3Å; I43-Y54 PolarHBondContact N-O 3.21Å; R52-Y54 VanDerWaalsContact C-N 3.34Å; R52-Y54 HydrophobicContact CB-CD1 3.62Å; R52-Y54 HydrophobicContact CB-CE1 3.38Å; R52-Y54 HydrophobicContact CG-CE1 4.18Å; R52-Y54 PolarHBondContact NH1-OH 2.9Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 HydrophobicContact CE2-CE2 4.02Å
55G97Very high95.9Very high0 Ų066 Ų660%033%0.328CS..EExtended strand (participates in β ladder)trans-151.6177.4-178.900000112.3V15 V41V15-G55 PolarHBondContact N-O 3.45Å; V15-G55 PolarHBondContact O-N 2.81Å; V41-G55 CarbonylContact O-C 3.47Å; V41-G55 WeakPolarHBondContact O-CA 3.25Å
56F97.3Very high95.9Very high52 Ų5268 Ų6823%0.22834%0.335CS..EExtended strand (participates in β ladder)trans-128.8141.4174.2-64.7-81.5000110.4K12 I13 F14 V41 I43 Y54 A86K12-F56 HydrophobicContact CG-CD1 4.49Å; I13-F56 VanDerWaalsContact O-CA 3.3Å; I13-F56 WeakPolarHBondContact O-CA 3.42Å; F14-F56 HydrophobicContact CB-CD1 4.42Å; F14-F56 HydrophobicContact CB-CE1 4.2Å; F14-F56 HydrophobicContact CD2-CD1 4.5Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; V41-F56 HydrophobicContact CG2-CB 4.05Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 2.91Å; I43-F56 HydrophobicContact CD1-CD2 4.15Å; I43-F56 HydrophobicContact CD1-CE2 4.44Å; I43-F56 HydrophobicContact CG1-CD2 4.06Å; I43-F56 HydrophobicContact CG1-CE2 4.09Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 HydrophobicContact CE2-CE2 4.02Å; F56-A86 HydrophobicContact CD1-CB 4.18Å; F56-A86 HydrophobicContact CE1-CB 4.18Å
57V97.5Very high96Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-124.5126.6173.8-173.30000108.4K12 I13 V15 L27 F31 I37 E39 M59K12-V57 CarbonylContact C-O 3.51Å; K12-V57 WeakPolarHBondContact CA-O 3.25Å; I13-V57 HydrophobicContact CB-CB 4.35Å; I13-V57 PolarHBondContact N-O 3.18Å; I13-V57 PolarHBondContact O-N 2.97Å; V15-V57 HydrophobicContact CG2-CG2 4.01Å; L27-V57 HydrophobicContact CD2-CG2 3.22Å; L27-V57 HydrophobicContact CG-CG2 4.15Å; F31-V57 HydrophobicContact CB-CG1 4.09Å; F31-V57 HydrophobicContact CD2-CG2 3.71Å; F31-V57 HydrophobicContact CE2-CG2 3.95Å; F31-V57 HydrophobicContact CG-CG1 4.17Å; F31-V57 HydrophobicContact CG-CG2 4.1Å; I37-V57 HydrophobicContact CG1-CG1 4.4Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.48Å; V57-M59 HydrophobicContact CG1-SD 3.57Å; V57-M59 VanDerWaalsContact CG1-SD 3.57Å
58T96.8Very high96Very high4 Ų454.4 Ų54.43%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-105.3112.5171.9-51.80000107.3T8 E38 E39T8-T58 HydrophobicContact CG2-CG2 3.75Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.37Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 3.22Å; E39-T58 PolarHBondContact N-O 2.99Å; E39-T58 PolarHBondContact O-N 3.44Å
59M97.3Very high96Very high0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-79151.6174.7-54.3-55.1-67.900110.3T11 I13 F31 F34 G35 I37 V57 D61 A64 A65T11-M59 VanDerWaalsContact CB-O 3.3Å; T11-M59 WeakPolarHBondContact CB-O 3.43Å; T11-M59 PolarHBondContact O-N 2.76Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.13Å; I13-M59 HydrophobicContact CG1-CG 4.44Å; F31-M59 HydrophobicContact CB-SD 4.41Å; F34-M59 HydrophobicContact CB-CE 4.4Å; G35-M59 WeakPolarHBondContact O-CE 3.35Å; I37-M59 HydrophobicContact CG1-CE 4.01Å; I37-M59 HydrophobicContact CG1-SD 4.02Å; V57-M59 HydrophobicContact CG1-SD 3.57Å; V57-M59 VanDerWaalsContact CG1-SD 3.57Å; M59-D61 VanDerWaalsContact C-N 3.35Å; M59-A64 HydrophobicContact CB-CB 4.15Å; M59-A64 HydrophobicContact CE-CB 3.79Å; M59-A64 HydrophobicContact CG-CB 4.42Å; M59-A65 HydrophobicContact CB-CB 4.16Å; M59-A65 HydrophobicContact CG-CB 3.87Å
60A95.8Very high96Very high48 Ų4857.6 Ų57.640%0.39727%0.272SS..SBendtrans-67-39.917300000111.4D36D36-A60 HydrophobicContact CB-CB 3.87Å; D36-A60 WeakPolarHBondContact O-CB 3.42Å; D36-A60 PolarHBondContact O-N 3.46Å
61D95.4Very high96Very high92 Ų9255.4 Ų55.449%0.49227%0.268SS..SBendtrans-110.9143.3-178.5-67.5-60.9000112.7M59 A63 A64 A65M59-D61 VanDerWaalsContact C-N 3.35Å; D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 3.44Å; D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.34Å; D61-A65 PolarHBondContact O-N 3.34Å
62R95.2Very high95.9Very high136 Ų13657.5 Ų57.551%0.51328%0.281SS..Hα-helixtrans-60.7-40.9170.7176.2179.2165.8175.2-2.1111.9T11 A64 A65 E66T11-R62 HydrophobicContact CG2-CB 4.4Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.37Å; R62-A65 PolarHBondContact O-N 3.44Å; R62-A65 VanDerWaalsContact O-N 3.12Å; R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.33Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.01Å; R62-E66 IonicContact NH2-OE1 3Å; R62-E66 PolarHBondContact NH2-OE1 2.96Å; R62-E66 PolarHBondContact O-N 3.36Å
63A96Very high95.9Very high59 Ų5954.4 Ų54.449%0.48828%0.276SS..Hα-helixtrans-62-36.5178.600000111.9D61 E66 R67D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 3.44Å; A63-E66 PolarHBondContact O-N 3.12Å; A63-R67 WeakPolarHBondContact O-CG 2.99Å; A63-R67 PolarHBondContact O-N 3.24Å
64A96.5Very high95.9Very high0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-65.4-40.1174.700000111.6F34 M59 D61 R62 R67 A68F34-A64 VanDerWaalsContact O-CB 3.28Å; F34-A64 WeakPolarHBondContact O-CB 3.35Å; M59-A64 HydrophobicContact CB-CB 4.15Å; M59-A64 HydrophobicContact CE-CB 3.79Å; M59-A64 HydrophobicContact CG-CB 4.42Å; D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.34Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.37Å; A64-R67 PolarHBondContact O-N 3.41Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 3.36Å
65A96.5Very high95.8Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-66-39.8175.700000113.3Y10 I13 M59 D61 R62 A68 C69 L85Y10-A65 WeakPolarHBondContact O-CB 3.14Å; I13-A65 HydrophobicContact CD1-CB 4.02Å; I13-A65 HydrophobicContact CG1-CB 4.1Å; M59-A65 HydrophobicContact CB-CB 4.16Å; M59-A65 HydrophobicContact CG-CB 3.87Å; D61-A65 PolarHBondContact O-N 3.34Å; R62-A65 PolarHBondContact O-N 3.44Å; R62-A65 VanDerWaalsContact O-N 3.12Å; A65-A68 PolarHBondContact O-N 3.12Å; A65-C69 WeakPolarHBondContact O-CB 3.46Å; A65-C69 PolarHBondContact O-N 3.16Å; A65-C69 PolarHBondContact O-SG 2.91Å; A65-L85 HydrophobicContact CB-CD2 4.4Å
66E95.5Very high95.6Very high94 Ų9457.5 Ų57.544%0.43929%0.294SS..Hα-helixtrans-64.4-40.3174.6-70.8176.9-177.800111.7R62 A63 C69 K70R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.33Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.01Å; R62-E66 IonicContact NH2-OE1 3Å; R62-E66 PolarHBondContact NH2-OE1 2.96Å; R62-E66 PolarHBondContact O-N 3.36Å; A63-E66 PolarHBondContact O-N 3.12Å; E66-C69 PolarHBondContact O-N 3.09Å; E66-K70 PolarHBondContact O-N 3.33Å; E66-K70 VanDerWaalsContact O-N 3.12Å
67R96.1Very high95.4Very high141 Ų14158.7 Ų58.753%0.53230%0.302SS..Hα-helixtrans-61.3-44.6173.2-72.9-170-64-155.6-2112.2F34 A63 A64 C69 K70F34-R67 HydrophobicContact CB-CB 4.46Å; F34-R67 HydrophobicContact CD1-CB 4.24Å; F34-R67 VanDerWaalsContact O-CZ 3.22Å; F34-R67 PolarHBondContact O-NE 2.86Å; F34-R67 VanDerWaalsContact O-NE 3.16Å; F34-R67 PolarHBondContact O-NH2 3.2Å; A63-R67 WeakPolarHBondContact O-CG 2.99Å; A63-R67 PolarHBondContact O-N 3.24Å; A64-R67 PolarHBondContact O-N 3.41Å; R67-C69 VanDerWaalsContact C-N 3.3Å; R67-C69 PolarHBondContact O-N 3.34Å; R67-K70 VanDerWaalsContact O-CB 3.25Å; R67-K70 WeakPolarHBondContact O-CB 3.4Å; R67-K70 PolarHBondContact O-N 3.22Å
68A95.4Very high95.3Very high4 Ų462.2 Ų62.23%0.03334%0.338CS..Hα-helixtrans-67-29.6178.800000113.2I13 F31 F34 A64 A65I13-A68 HydrophobicContact CD1-CB 3.7Å; F31-A68 HydrophobicContact CD1-CB 3.86Å; F31-A68 HydrophobicContact CE1-CB 3.97Å; F34-A68 HydrophobicContact CB-CB 4.16Å; F34-A68 HydrophobicContact CD2-CB 3.77Å; F34-A68 HydrophobicContact CE2-CB 4.3Å; F34-A68 HydrophobicContact CG-CB 3.91Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 3.36Å; A65-A68 PolarHBondContact O-N 3.12Å
69C94.9Very high95.2Very high31 Ų3167.1 Ų67.121%0.20936%0.357CS..THydrogen-bonded Turntrans-87.4-3.6176.4-62.40000113.7A65 E66 R67 D71A65-C69 WeakPolarHBondContact O-CB 3.46Å; A65-C69 PolarHBondContact O-N 3.16Å; A65-C69 PolarHBondContact O-SG 2.91Å; E66-C69 PolarHBondContact O-N 3.09Å; R67-C69 VanDerWaalsContact C-N 3.3Å; R67-C69 PolarHBondContact O-N 3.34Å; C69-D71 VanDerWaalsContact C-N 3.29Å; C69-D71 PolarHBondContact O-N 2.84Å
70K95.1Very high95.2Very high171 Ų17174.3 Ų74.374%0.74339%0.388SS*.SBendtrans-62-39.5179.5-172.1173.1-178.9179.50111.7E66 R67 P72E66-K70 PolarHBondContact O-N 3.33Å; E66-K70 VanDerWaalsContact O-N 3.12Å; R67-K70 VanDerWaalsContact O-CB 3.25Å; R67-K70 WeakPolarHBondContact O-CB 3.4Å; R67-K70 PolarHBondContact O-N 3.22Å; K70-P72 VanDerWaalsContact O-CD 3.32Å; K70-P72 WeakPolarHBondContact O-CD 3.49Å
71D93.6Very high95.2Very high103 Ų10372.1 Ų72.155%0.55137%0.37SS*.SBendtrans-102.498.7172.6-64.4-44000109C69 N73 P74C69-D71 VanDerWaalsContact C-N 3.29Å; C69-D71 PolarHBondContact O-N 2.84Å; D71-N73 PolarHBondContact O-N 2.83Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å
72P93.7Very high95.3Very high59 Ų5970.8 Ų70.838%0.38336%0.363SS..SBendtrans-70.1-13.4-17527.3-35.9000113.5K70 P74 N82 V83K70-P72 VanDerWaalsContact O-CD 3.32Å; K70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.49Å; P72-N82 CarbonylContact O-C 3.46Å; P72-N82 VanDerWaalsContact O-CA 3.32Å; P72-N82 WeakPolarHBondContact O-CA 3.33Å; P72-V83 PolarHBondContact O-N 3.32Å
73N95.7Very high95.3Very high86 Ų8664.4 Ų64.446%0.4634%0.339SS..SBendtrans-129.163.7-176.6-58.7120.1000113.9D71 K80 A81D71-N73 PolarHBondContact O-N 2.83Å; N73-K80 HydrophobicContact CB-CD 4.2Å; N73-K80 HydrophobicContact CB-CG 4.18Å; N73-A81 VanDerWaalsContact CA-O 3.3Å; N73-A81 WeakPolarHBondContact CA-O 3.41Å
74P95.5Very high95.3Very high12 Ų1264.7 Ų64.78%0.07833%0.332CS..  trans-71.4158.1177.627.5-28.9000112.1Y30 D71 P72 I76 A81 V83Y30-P74 HydrophobicContact CE1-CB 3.99Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.02Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.49Å; P74-I76 HydrophobicContact CB-CG1 4.48Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 HydrophobicContact CG-CG1 4.49Å; P74-A81 HydrophobicContact CG-CB 4.37Å; P74-A81 PolarHBondContact O-N 2.85Å; P74-V83 HydrophobicContact CG-CB 4.43Å; P74-V83 HydrophobicContact CG-CG2 3.4Å
75I95.3Very high95.3Very high114 Ų11466 Ų6659%0.58534%0.339SS*.EExtended strand (participates in β ladder)trans-98.2114.5170.5-59.3176.1000108.2R79I75-R79 WeakPolarHBondContact CA-O 3.37Å
76I93.9Very high95.2Very high2 Ų266.6 Ų66.61%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-116.1126.4179.1-55.4177.1000107.7V15 L18 Y30 F31 P74 G78 R79 A81V15-I76 HydrophobicContact CG1-CD1 3.92Å; L18-I76 HydrophobicContact CD2-CB 4.25Å; L18-I76 HydrophobicContact CD2-CD1 3.9Å; L18-I76 HydrophobicContact CD2-CG2 4.11Å; Y30-I76 HydrophobicContact CD1-CD1 3.78Å; Y30-I76 HydrophobicContact CD1-CG1 3.88Å; Y30-I76 HydrophobicContact CD2-CG1 4.14Å; Y30-I76 HydrophobicContact CE1-CD1 3.96Å; Y30-I76 HydrophobicContact CE1-CG1 3.87Å; Y30-I76 HydrophobicContact CE2-CG1 4.14Å; Y30-I76 HydrophobicContact CG-CD1 4.27Å; Y30-I76 HydrophobicContact CG-CG1 4.03Å; F31-I76 HydrophobicContact CE2-CD1 4.07Å; F31-I76 HydrophobicContact CZ-CD1 4.4Å; P74-I76 HydrophobicContact CB-CG1 4.48Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 HydrophobicContact CG-CG1 4.49Å; I76-G78 PolarHBondContact O-N 2.77Å; I76-G78 VanDerWaalsContact O-N 3.09Å; I76-R79 PolarHBondContact N-O 3.01Å; I76-R79 PolarHBondContact O-N 2.91Å; I76-A81 HydrophobicContact CD1-CB 3.89Å; I76-A81 HydrophobicContact CG1-CB 4.14Å
77D92.7Very high95.1Very high76 Ų7667.1 Ų67.141%0.40634%0.343SS..THydrogen-bonded Turntrans50.136.2-178.6-60.9-34.4000113.4P19 T22 R79P19-D77 HydrophobicContact CG-CB 3.91Å; T22-D77 WeakPolarHBondContact CB-OD2 3.48Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T22-D77 PolarHBondContact OG1-OD2 3.22Å; D77-R79 PolarHBondContact O-N 2.85Å
78G94.3Very high94.9Very high74 Ų7465.5 Ų65.576%0.76334%0.344SS*.THydrogen-bonded Turntrans79.96.8178.800000115.7I76I76-G78 PolarHBondContact O-N 2.77Å; I76-G78 VanDerWaalsContact O-N 3.09Å
79R95.6Very high94.6Very high108 Ų10868.3 Ų68.341%0.40837%0.373SS..EExtended strand (participates in β ladder)trans-119.4140.8173.8-177179.3-77.8-170.5-7.8111G17 L18 P19 I75 I76 D77 A81G17-R79 WeakPolarHBondContact O-CD 3.33Å; G17-R79 WeakPolarHBondContact O-CG 3.12Å; L18-R79 PolarHBondContact O-NH1 3.41Å; P19-R79 HydrophobicContact CG-CB 3.53Å; P19-R79 HydrophobicContact CG-CG 4.44Å; I75-R79 WeakPolarHBondContact CA-O 3.37Å; I76-R79 PolarHBondContact N-O 3.01Å; I76-R79 PolarHBondContact O-N 2.91Å; D77-R79 PolarHBondContact O-N 2.85Å; R79-A81 PolarHBondContact O-N 3.35Å
80K96.8Very high94Very high150 Ų15069.9 Ų69.965%0.65239%0.388SS*.EExtended strand (participates in β ladder)trans-68.4114.3173.3-170.817268.11760109.9N73N73-K80 HydrophobicContact CB-CD 4.2Å; N73-K80 HydrophobicContact CB-CG 4.18Å
81A96.7Very high93.3Very high3 Ų370.3 Ų70.33%0.02539%0.391CS..  trans-92.4170.8174.400000110.9V15 G16 L18 N73 P74 I76 R79V15-A81 HydrophobicContact CG1-CB 4.43Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.26Å; G16-A81 VanDerWaalsContact O-CB 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.37Å; L18-A81 HydrophobicContact CD2-CB 4.49Å; N73-A81 VanDerWaalsContact CA-O 3.3Å; N73-A81 WeakPolarHBondContact CA-O 3.41Å; P74-A81 HydrophobicContact CG-CB 4.37Å; P74-A81 PolarHBondContact O-N 2.85Å; I76-A81 HydrophobicContact CD1-CB 3.89Å; I76-A81 HydrophobicContact CG1-CB 4.14Å; R79-A81 PolarHBondContact O-N 3.35Å
82N96.1Very high92.3Very high64 Ų6470.9 Ų70.934%0.34240%0.4SS..EExtended strand (participates in β ladder)trans-124.6127.8171.5-178.6-38.2000108.5V15 G16 P72 N84V15-N82 CarbonylContact C-O 3.53Å; V15-N82 WeakPolarHBondContact CA-O 3.31Å; G16-N82 PolarHBondContact N-O 2.8Å; G16-N82 PolarHBondContact O-N 3.41Å; P72-N82 CarbonylContact O-C 3.46Å; P72-N82 VanDerWaalsContact O-CA 3.32Å; P72-N82 WeakPolarHBondContact O-CA 3.33Å; N82-N84 PolarHBondContact OD1-ND2 2.82Å
83V96.7Very high90.9Very high1 Ų179.3 Ų79.31%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-119.6129.6-177.5-177.50000109.5I13 F14 V15 F31 P72 P74I13-V83 HydrophobicContact CG2-CG1 3.27Å; F14-V83 WeakPolarHBondContact O-CA 3.31Å; V15-V83 HydrophobicContact CG1-CG2 4.25Å; F31-V83 HydrophobicContact CE1-CG1 4.25Å; F31-V83 HydrophobicContact CE1-CG2 4.49Å; F31-V83 HydrophobicContact CZ-CG1 4.4Å; F31-V83 HydrophobicContact CZ-CG2 4Å; P72-V83 PolarHBondContact O-N 3.32Å; P74-V83 HydrophobicContact CG-CB 4.43Å; P74-V83 HydrophobicContact CG-CG2 3.4Å
84N96Very high89.2Confident66 Ų6682.3 Ų82.335%0.35344%0.438SS..EExtended strand (participates in β ladder)trans-149.4155.9177.8-85.9-64.6000110.6I13 F14 N82 A86 L88I13-N84 CarbonylContact C-O 3.58Å; I13-N84 WeakPolarHBondContact CA-O 3.44Å; F14-N84 PolarHBondContact N-O 2.76Å; F14-N84 PolarHBondContact O-N 3.06Å; N82-N84 PolarHBondContact OD1-ND2 2.82Å; N84-A86 PolarHBondContact O-N 2.81Å; N84-L88 HydrophobicContact CB-CD1 4.49Å
85L95.5Very high87.3Confident26 Ų2689.5 Ų89.514%0.13647%0.473CS..EExtended strand (participates in β ladder)trans-62.2130.6169.6-67172.5000109.6A65 Y87 L88A65-L85 HydrophobicContact CB-CD2 4.4Å; L85-Y87 HydrophobicContact CB-CD1 3.58Å; L85-Y87 HydrophobicContact CB-CE1 3.39Å; L85-Y87 HydrophobicContact CD1-CD1 4.44Å; L85-Y87 HydrophobicContact CD1-CE1 3.55Å; L85-Y87 HydrophobicContact CG-CE1 4.06Å; L85-Y87 PolarHBondContact O-N 3.47Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.49Å
86A94.9Very high85.1Confident13 Ų1392.1 Ų92.111%0.10748%0.483CS..Hα-helixtrans-63.7-27.2-167.800000112.8K12 F14 F56 N84 L88 G89 A90K12-A86 HydrophobicContact CB-CB 4.08Å; K12-A86 HydrophobicContact CD-CB 4.23Å; K12-A86 HydrophobicContact CG-CB 3.74Å; K12-A86 WeakPolarHBondContact O-CB 3.48Å; K12-A86 PolarHBondContact O-N 2.72Å; F14-A86 HydrophobicContact CB-CB 4.35Å; F56-A86 HydrophobicContact CD1-CB 4.18Å; F56-A86 HydrophobicContact CE1-CB 4.18Å; N84-A86 PolarHBondContact O-N 2.81Å; A86-L88 PolarHBondContact O-N 3.26Å; A86-G89 PolarHBondContact O-N 3.22Å; A86-A90 WeakPolarHBondContact O-CB 3.04Å; A86-A90 PolarHBondContact O-N 3.08Å
87Y93.2Very high83.1Confident106 Ų10697.4 Ų97.442%0.41652%0.517SS..Hα-helixtrans-63.5-25.6176.379.2-94000112.9T9 Y10 L85T9-Y87 HydrophobicContact CG2-CD1 4.13Å; T9-Y87 HydrophobicContact CG2-CG 4.06Å; T9-Y87 VanDerWaalsContact O-CD1 3.26Å; T9-Y87 WeakPolarHBondContact O-CD1 3.4Å; Y10-Y87 HydrophobicContact CD1-CE1 4.26Å; Y10-Y87 HydrophobicContact CE1-CE1 4.35Å; L85-Y87 HydrophobicContact CB-CD1 3.58Å; L85-Y87 HydrophobicContact CB-CE1 3.39Å; L85-Y87 HydrophobicContact CD1-CD1 4.44Å; L85-Y87 HydrophobicContact CD1-CE1 3.55Å; L85-Y87 HydrophobicContact CG-CE1 4.06Å; L85-Y87 PolarHBondContact O-N 3.47Å; L85-Y87 VanDerWaalsContact O-N 3.14Å
88L91.9Very high81.1Confident106 Ų10697.3 Ų97.356%0.55553%0.534SS*.Hα-helixtrans-69.5-34.6179.1-64.1169.9000112.2N84 L85 A86N84-L88 HydrophobicContact CB-CD1 4.49Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.49Å; A86-L88 PolarHBondContact O-N 3.26Å
89G87.9Confident78.7Confident63 Ų63102.2 Ų102.265%0.64954%0.535SS*.Hα-helixtrans-101.7-7-179.700000114.1A86 K91A86-G89 PolarHBondContact O-N 3.22Å; G89-K91 PolarHBondContact O-N 3.42Å
90A84.2Confident76.5Confident64 Ų64102 Ų10253%0.52956%0.557SS.*SBendtrans-65.1112.1177.400000108.6A86A86-A90 WeakPolarHBondContact O-CB 3.04Å; A86-A90 PolarHBondContact O-N 3.08Å
91K78.4Confident73.9Confident181 Ų181102.5 Ų102.579%0.78756%0.559SS**  trans-47131167.7-69.9177.4177.2-179.10107.3G89 R93G89-K91 PolarHBondContact O-N 3.42Å; K91-R93 PolarHBondContact O-N 2.94Å
92P73.2Confident71.5Confident115 Ų115106 Ų10675%0.74760%0.595SS**  trans-54.2110.4176.621.6-30.9000106I94P92-I94 PolarHBondContact O-N 2.97Å
93R64.8Low69.4Low235 Ų235108.5 Ų108.589%0.88761%0.612SS**  trans-70.388.5168.6-69.6-154.9-137.5162.36.1103.9K91 M95K91-R93 PolarHBondContact O-N 2.94Å; R93-M95 PolarHBondContact O-N 3.1Å
94I60.5Low67.2Low149 Ų149116.2 Ų116.276%0.76465%0.648SS**  trans-60.696153-60.8170.6000102.3P92 Q96P92-I94 PolarHBondContact O-N 2.97Å; I94-Q96 PolarHBondContact O-N 3.23Å
95M54.7Low65.1Low164 Ų164121.8 Ų121.881%0.80867%0.672SS**  trans-56.294168.5-171.298.1133.400103.5R93 P97R93-M95 PolarHBondContact O-N 3.1Å; M95-P97 WeakPolarHBondContact O-CD 3.46Å
96Q50Low63.2Low169 Ų169127.2 Ų127.279%0.7970%0.701SS**  trans-54.1118.4165-105.8-166.7-6.700103.7I94 G98I94-Q96 PolarHBondContact O-N 3.23Å; Q96-G98 PolarHBondContact O-N 3.4Å
97P51Low61.1Low112 Ų112134.4 Ų134.473%0.72773%0.732SS**  trans-62.9100.1167.225.4-27.9000104.3M95 F99M95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-F99 PolarHBondContact O-N 3.46Å
98G51Low59Low74 Ų74135.6 Ų135.676%0.76375%0.752SS**  trans-68.761.7172.100000109.4Q96 A100Q96-G98 PolarHBondContact O-N 3.4Å; G98-A100 PolarHBondContact O-N 2.99Å; G98-A100 VanDerWaalsContact O-N 3.15Å
99F43.8Very low57.1Low177 Ų177135 Ų13578%0.77676%0.763SS**  trans-73.584.2144.5-96.3-87.4000105.9P97 F101P97-F99 PolarHBondContact O-N 3.46Å; F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.17Å; F99-F101 HydrophobicContact CE1-CD2 4.48Å; F99-F101 PolarHBondContact O-N 3.09Å
100A50.2Low55.6Low105 Ų105140 Ų14087%0.86877%0.774SS**  trans-67.867.5150.100000107.5G98G98-A100 PolarHBondContact O-N 2.99Å; G98-A100 VanDerWaalsContact O-N 3.15Å
101F41.9Very low54.3Low159 Ų159144.1 Ų144.170%0.69779%0.786SS**  trans-87.8112.4162.3-143.4-92.3000105.6F99 V103F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.17Å; F99-F101 HydrophobicContact CE1-CD2 4.48Å; F99-F101 PolarHBondContact O-N 3.09Å; F101-V103 HydrophobicContact CD1-CG2 4.36Å; F101-V103 PolarHBondContact O-N 3.2Å
102G45.3Very low53Low76 Ų76144 Ų14478%0.78479%0.788SS**  trans-57.4104.8174.800000109.7
103V51.8Low52Low117 Ų117150.1 Ų150.171%0.70980%0.796SS**  trans-130.4114.5157.6-158.80000104.7F101 Q105F101-V103 HydrophobicContact CD1-CG2 4.36Å; F101-V103 PolarHBondContact O-N 3.2Å; V103-Q105 PolarHBondContact O-N 3.01Å
104Q51.6Low51.4Low163 Ų163144 Ų14476%0.76279%0.787SS**  trans-48136.8174.6-75-172.6-9.600109.6L106Q104-L106 PolarHBondContact O-N 3.14Å
105Q51.3Low51.1Low184 Ų184147.2 Ų147.286%0.8680%0.796SS**  trans-55.791.4157-80.6-80.37.200107.3V103 H107V103-Q105 PolarHBondContact O-N 3.01Å; Q105-H107 PolarHBondContact O-N 3.22Å
106L56.4Low51Low139 Ų139142.5 Ų142.573%0.72879%0.789SS**  trans-83.7107179.3-133.2140.1000105.9Q104Q104-L106 PolarHBondContact O-N 3.14Å
107H50.8Low51.2Low164 Ų164142.8 Ų142.876%0.75979%0.794SS**  trans-54.3129.4179.4-71.581.1000110.4Q105 A109Q105-H107 PolarHBondContact O-N 3.22Å; H107-A109 VanDerWaalsContact C-N 3.26Å; H107-A109 PolarHBondContact O-N 2.67Å
108P48.2Very low51.2Low131 Ų131143 Ų14385%0.85180%0.795SS**  trans-80.179.8169.631.3-29.4000108.7
109A53.3Low51.2Low95 Ų95143.2 Ų143.279%0.78579%0.79SS**  trans-89.1108162.600000108H107H107-A109 VanDerWaalsContact C-N 3.26Å; H107-A109 PolarHBondContact O-N 2.67Å
110L55.9Low51.8Low166 Ų166142.8 Ų142.887%0.86979%0.79SS**PPolyproline II helixtrans-73.2134.2-163-157145.1000112.4Q112L110-Q112 PolarHBondContact O-N 3.16Å
111I57.3Low51.8Low152 Ų152147.8 Ų147.878%0.77979%0.788SS**PPolyproline II helixtrans-52.7120.7173.3-78.2162000111.1
112Q51.1Low52.2Low179 Ų179146.8 Ų146.884%0.83680%0.795SS**PPolyproline II helixtrans-58.9135.3167.9-68.5175.727.900110.9L110L110-Q112 PolarHBondContact O-N 3.16Å
113R51.3Low52.5Low242 Ų242153.5 Ų153.591%0.91380%0.798SS**  trans-164.6144.8131.2-107168.1146.4-122.1-11.4111.7
114P52.7Low52.8Low108 Ų108153 Ų15370%0.70180%0.797SS**  trans-103.8151.9-143.738.2-32.4000113.1
115F52.6Low52.7Low216 Ų216154 Ų15495%0.94780%0.802SS**  trans-178.8117.3138.2-113.3-84.6000110.2
116G53.9Low52.9Low64 Ų64149.6 Ų149.666%0.6680%0.797SS**  trans94.6105.9145.900000121.2
117I54.5Low52.8Low175 Ų175151.8 Ų151.890%0.89780%0.801SS**  trans70.7140.4138.636.7177.5000122.5
118P50.3Low52.8Low116 Ų116150.2 Ų150.275%0.75380%0.803SS**  trans-129.1167-142.639.7-20.6000119
119A51.5Low52.8Low80 Ų80151.4 Ų151.466%0.66180%0.797SS**  trans76.1154.7143.200000123.9
120H55.3Low52.8Low168 Ų168152.5 Ų152.578%0.77880%0.796SS**  trans95122.3167.2-56.6-75000115.4
121Y50Low52.5Low209 Ų209147.8 Ų147.882%0.8279%0.787SS**  cis-152.8137.712.3-112.8-90.3000108.7
122V52.2Low52.3Low138 Ų138147.6 Ų147.684%0.83679%0.793SS**  trans-110.6136.6170.5156.20000108.7
123Y51.5Low52.2Low217 Ų217144.5 Ų144.585%0.85179%0.786SS**PPolyproline II helixtrans-100.2150.5172.2-129.1-103000110.8
124P58.2Low52.2Low107 Ų107140.2 Ų140.270%0.69578%0.78SS**PPolyproline II helixtrans-93.2150.7-157.133.4-25.8000114.3
125Q49.2Very low51.9Low183 Ų183139.9 Ų139.986%0.85578%0.777SS**PPolyproline II helixtrans-76140.9168.7-76.2-94.5-43.900111.2
126A54.3Low52Low93 Ų93137.2 Ų137.277%0.76977%0.768SS**PPolyproline II helixtrans-84117170.400000110.9
127F53.7Low52Low184 Ų184140.6 Ų140.681%0.80778%0.775SS**  trans-10.2139.6146.6-75.2-106.6000115.5
128V52.9Low51.7Low131 Ų131140 Ų14079%0.79477%0.769SS**  -172.5108.367.4169.90000105.5
129Q46.7Very low51.7Low157 Ų157140.7 Ų140.773%0.73477%0.773SS**  54.9157.876.2-70.9-77.215.200115.7
130P53.1Low51.4Low118 Ų118142.3 Ų142.377%0.76678%0.775SS**  cis-138.5165.6-16.427.6-5.8000114.1
131G49.4Very low51.1Low66 Ų66138.9 Ų138.968%0.6878%0.776SS**  trans178.4108.7162.600000114.7
132V53.4Low50.9Low148 Ų148133.8 Ų133.890%0.89778%0.777SS**  trans88.4141.9167.5-154.90000116.1
133V50.3Low50.6Low114 Ų114131.7 Ų131.769%0.69177%0.774SS**  trans-126.2140.1-134.5-92.80000112.1
134I49.9Very low50.2Low152 Ų152126.3 Ų126.378%0.77978%0.775SS**  trans73.5142.8135-63.9171.1000117.4
135P46.3Very low49.7Very low101 Ų101126.8 Ų126.866%0.65678%0.78SS**  cis-141.9178.1-24.437.6-18.2000115.5
136H54.3Low49.8Very low160 Ų160124.1 Ų124.174%0.74178%0.777SS**  trans109.1121.9136.6101.7-61.9000120.8
137V55.4Low49.7Very low136 Ų136126.1 Ų126.182%0.82478%0.78SS**  trans75.1118.7152.7-560000122.2
138Q47.8Very low49.2Very low162 Ų162122.8 Ų122.876%0.75778%0.776SS**  trans-116.3152177.8152.3175.9-24.700108.2T140Q138-T140 HydrophobicContact CG-CG2 4.34Å
139P49.7Very low48.7Very low131 Ų131126.8 Ų126.885%0.85178%0.779SS**  -151.4177.9101.333.2-9.2000116.4
140T45.9Very low49.1Very low113 Ų113124.3 Ų124.369%0.69377%0.769SS**  trans-117.7157-147.541.40000116.3Q138Q138-T140 HydrophobicContact CG-CG2 4.34Å
141A49.4Very low48.6Very low97 Ų97124.7 Ų124.780%0.80277%0.765SS**  trans91.9133.4134.700000124.8
142A45.4Very low48.6Very low102 Ų102131.5 Ų131.584%0.84377%0.772SS**  trans71.8147.3140.900000120
143A46.4Very low48.6Very low94 Ų94130.1 Ų130.178%0.77776%0.764SS**  cis-165.7160-2.600000111.3
144A42.3Very low48.7Very low104 Ų104128.2 Ų128.286%0.8677%0.767SS**  trans40.3124.5147.600000123.6
145S47.9Very low48.5Very low116 Ų116125.7 Ų125.781%0.81177%0.769SS**  trans-157.1120137.558.60000112.2
146T51.6Low48.4Very low127 Ų127125.2 Ų125.278%0.77977%0.773SS**  trans-22.5139.3157.544.50000118.2
147T51.3Low47.9Very low136 Ų136129.3 Ų129.383%0.83478%0.784SS**  169.3156.1110.336.20000111.8
148P44.6Very low47.5Very low113 Ų113127.2 Ų127.273%0.73478%0.781SS**  trans-105.1156.9-146.838.5-31.6000114.2
149Y40.7Very low47.1Very low215 Ų215126.8 Ų126.884%0.84378%0.779SS**  trans-156.1115.2157.4-139.8-114.4000113.9
150I55.1Low46.9Very low105 Ų105130.8 Ų130.854%0.53878%0.779SS.*  trans67.8106147.6-59.7-167000119.6Y152I150-Y152 HydrophobicContact CG2-CD2 3.7Å; I150-Y152 HydrophobicContact CG2-CE2 4.47Å
151D42.6Very low46.8Very low126 Ų126131.2 Ų131.267%0.67479%0.786SS**  trans-73.8131152.2-158.3-68.1000109.3T153D151-T153 WeakPolarHBondContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D151-T153 PolarHBondContact OD1-N 3.3Å; D151-T153 VanDerWaalsContact OD1-N 3.12Å; D151-T153 PolarHBondContact OD1-OG1 3.18Å
152Y51.1Low46.5Very low210 Ų210131.5 Ų131.582%0.82479%0.788SS**  trans-132.167.9167.7-125.4-83.6000107.8I150I150-Y152 HydrophobicContact CG2-CD2 3.7Å; I150-Y152 HydrophobicContact CG2-CE2 4.47Å
153T52.8Low46.4Very low119 Ų119131.4 Ų131.473%0.7379%0.787SS**  trans-98.8119.7165.655.40000109.3D151D151-T153 WeakPolarHBondContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D151-T153 PolarHBondContact OD1-N 3.3Å; D151-T153 VanDerWaalsContact OD1-N 3.12Å; D151-T153 PolarHBondContact OD1-OG1 3.18Å
154G51.4Low46.2Very low73 Ų73131.5 Ų131.575%0.75379%0.788SS**SBendtrans98.293.2169.600000115.4
155A47.2Very low46.1Very low99 Ų99131.4 Ų131.482%0.81879%0.788SS**  trans165.568.6141.500000111.2
156A44.3Very low45.8Very low91 Ų91130.6 Ų130.675%0.75279%0.788SS**SBendtrans-165.538.6164.800000113.5
157Y43.5Very low45.3Very low247 Ų247129.3 Ų129.397%0.96979%0.79SS**SBendtrans-140.860.3170-88.5-87.2000109.1
158A46.2Very low44.8Very low92 Ų92127.9 Ų127.976%0.7679%0.792SS**SBendtrans-16256.817400000110.6
159Q40.6Very low44.6Very low152 Ų152127 Ų12771%0.7180%0.795SS**SBendtrans-164149.4161.4-124.5157.2-106.200106
160Y45.1Very low44.5Very low216 Ų216121.7 Ų121.785%0.84780%0.795SS**SBendtrans76.136.6-178-17.5-71.5000118
161S43Very low43.9Very low121 Ų121121.4 Ų121.485%0.84681%0.808SS**  trans-142.744.9150.972.10000111.4
162A42.8Very low44Very low103 Ų103119.7 Ų119.785%0.85181%0.812SS**SBendtrans-115.516.5166.900000111.6
163A43.4Very low43.7Very low100 Ų100119.9 Ų119.983%0.82681%0.812SS**SBendtrans-131.148.417900000111.5
164A41.9Very low43.2Very low96 Ų96120.3 Ų120.379%0.79381%0.81SS**SBendtrans-141.58.5166.300000113
165A42Very low42.7Very low103 Ų103123.5 Ų123.585%0.85181%0.805SS**SBendtrans-98.616.617700000113.5
166A41.3Very low42.4Very low99 Ų99128.4 Ų128.482%0.81880%0.804SS**SBendtrans-135.217.9-173.800000115.3
167A40.5Very low42.9Very low99 Ų99129.6 Ų129.682%0.81880%0.804SS**  trans-125.82917800000113.7
168A40.4Very low42.8Very low107 Ų107128.5 Ų128.588%0.88480%0.8SS**SBendtrans-9614.917400000113.4
169A39.9Very low42.9Very low95 Ų95128.8 Ų128.879%0.78580%0.803SS**SBendtrans-15082.6-176.400000111.2
170A40.2Very low43.2Very low103 Ų103125.6 Ų125.685%0.85180%0.802SS**  trans171.7112.7152.800000110.6
171A42.7Very low43.6Very low98 Ų98121.1 Ų121.181%0.8180%0.802SS**  trans137.272162.500000107.8
172A43Very low44.1Very low90 Ų90121.4 Ų121.474%0.74480%0.801SS**  60.4124.774.300000113
173Y45.6Very low44.2Very low215 Ų215121 Ų12184%0.84380%0.798SS**  trans83.496.3171-84.5-94.3000119
174D42Very low44.4Very low128 Ų128121.1 Ų121.168%0.68480%0.799SS**  164.190101.5-137.1-91.5000107.8
175Q40.5Very low44.6Very low139 Ų139121.2 Ų121.265%0.6580%0.8SS**  61.4104.696.5-165.7152.2-64.200113.9
176Y40.9Very low44.6Very low202 Ų202119.5 Ų119.579%0.79279%0.792SS**  -176.2145118.6-90.7-71.9000110.6
177P54.5Low44.6Very low116 Ų116124.6 Ų124.675%0.75379%0.791SS**  trans-104.2155.5-144.238.7-35.5000116.1
178Y42.1Very low44.7Very low224 Ų224126.5 Ų126.588%0.87879%0.793SS**  trans-69.1139.2171.6-124.6-97.6000112.2
179A48Very low44.7Very low99 Ų99128.1 Ų128.182%0.81879%0.792SS**  trans-96.6123.3157.300000108.9
180A47.4Very low44.8Very low85 Ų85130 Ų13070%0.70279%0.793SS**  trans-108139.5171.600000109.5
181S53.4Low44.9Very low121 Ų121128.7 Ų128.785%0.84679%0.791SS**  -178.2148.2120.9-80.20000112.3
182P54.6Low44.8Very low127 Ų127127.8 Ų127.883%0.82579%0.791SS**  trans-109.8153.4-164.338.8-27.5000114.2
183A44.9Very low44.7Very low95 Ų95134.8 Ų134.879%0.78580%0.8SS**  trans-178.8109.8151.800000107.8
184A46.4Very low44.7Very low102 Ų102130.1 Ų130.184%0.84380%0.798SS**  89.4134.481.900000113.9
185A46Very low44.6Very low99 Ų99134.4 Ų134.482%0.81881%0.806SS**  trans89.3126.3165.700000119.2
186G42.8Very low45.1Very low66 Ų66132.8 Ų132.868%0.6882%0.817SS**  trans132.8105.1145.500000116
187Y41.1Very low45.2Very low206 Ų206129 Ų12981%0.80882%0.815SS**  trans-88.3144.4-170.4-22.5-87.6000112.8
188V42.2Very low44.7Very low140 Ų140132.1 Ų132.185%0.84882%0.819SS**  trans40.8123.6136.7-1730000119.5
189T40.2Very low44.9Very low140 Ų140129.6 Ų129.686%0.85982%0.815SS**  -179.5157.2124.2176.70000112.8
190T42.2Very low45Very low134 Ų134129.4 Ų129.482%0.82281%0.806SS**  trans-99.1161-156.8-166.40000114.3
191G41.8Very low45.1Very low77 Ų77132.6 Ų132.679%0.79481%0.809SS**  trans105.9125.414200000118.6
192G42.2Very low44.9Very low79 Ų79133.6 Ų133.681%0.81481%0.81SS**  trans153.195.6155.400000115.9
193Y39.9Very low44.4Very low236 Ų236131.9 Ų131.993%0.92581%0.807SS**  trans-83.4142165.3-64.5-89.4000110.6
194S44.8Very low44.6Very low117 Ų117132.2 Ų132.282%0.81881%0.81SS**  trans-152.2139.6154.159.10000111.3
195Y40Very low44.9Very low218 Ų218132.2 Ų132.286%0.85581%0.81SS**  trans-108.7146.2-177.340-92000109.1
196A50.9Low45.2Very low105 Ų105133.8 Ų133.887%0.86881%0.812SS**  trans-148131157.800000110.3
197V44.6Very low45.3Very low123 Ų123133.7 Ų133.775%0.74581%0.811SS**  trans-103.2135.8-178.7159.60000108.3
198Q42.3Very low45.6Very low182 Ų182130.7 Ų130.785%0.8581%0.814SS**  trans-169.6105.1150.6-141.2137.1-41.600109.4
199Q47.7Very low45.6Very low171 Ų171128.7 Ų128.780%0.79981%0.812SS**  100.8151.373.4-83.1-140.431.200114.2
200P50.3Low45.7Very low94 Ų94126.7 Ų126.761%0.6181%0.81SS**  trans-133.3179.6-141.542.6-24000117.8
201I49.3Very low45.8Very low153 Ų153124.9 Ų124.979%0.78581%0.809SS**  trans62.6138.715469.7172.2000124.2
202T48Very low45.7Very low141 Ų141126 Ų12687%0.86581%0.81SS**  trans156.1146.313946.90000108.4
203A45.7Very low45.7Very low91 Ų91127 Ų12775%0.75281%0.81SS**  cis-161.6130.5-3.600000106.5
204A47.4Very low45.8Very low103 Ų103120.8 Ų120.885%0.85181%0.808SS**  44.8116.1107.500000118.9
205A54.3Low45.4Very low101 Ų101119.9 Ų119.984%0.83581%0.808SS**  174.2151113.300000114
206P50.9Low45.4Very low133 Ų133114.2 Ų114.286%0.86481%0.806SS**  trans-112.3174.4-172.141-29.7000114.5
207G46.3Very low44.9Very low64 Ų64114.1 Ų114.166%0.6681%0.805SS**  trans144.6115.5150.500000119.5
208T47.4Very low44.8Very low143 Ų143112.4 Ų112.488%0.87780%0.804SS**  trans71110.4136.646.90000123.3
209A42.1Very low44.6Very low98 Ų98108.3 Ų108.381%0.8180%0.801SS**  61.2123.4119.900000121
210A42Very low44.4Very low97 Ų97105.2 Ų105.280%0.80281%0.805SS**  171.2142.6113.500000113.5
211A43.3Very low44.3Very low97 Ų97105.3 Ų105.380%0.80281%0.814SS**  trans63.8110149.400000119.1
212A40.8Very low44Very low99 Ų99108 Ų10882%0.81882%0.82SS**  76.8130.358.800000115.1
213A41.6Very low43.9Very low100 Ų100104.5 Ų104.583%0.82681%0.812SS**  trans78.9111.9158.600000118.8
214A42.3Very low44.2Very low106 Ų106107 Ų10788%0.87681%0.808SS**  171125.597.700000110.9
215A36.6Very low44.1Very low99 Ų99111.3 Ų111.382%0.81880%0.804SS**  trans-90.5163.8168.100000110.5
216A39.5Very low44Very low99 Ų99114 Ų11482%0.81880%0.799SS**  trans91.3147.1154.500000119.4
217A40.7Very low44Very low103 Ų103113.4 Ų113.485%0.85180%0.796SS**  trans74.5146.5171.200000116.1
218A41.8Very low44.2Very low87 Ų87120 Ų12072%0.71981%0.809SS**  cis-170.1132.7-11.900000104.4
219A39.6Very low44.4Very low95 Ų95122.4 Ų122.479%0.78581%0.811SS**  69.8126.8113.100000117.3
220A42.8Very low44.9Very low106 Ų106124.6 Ų124.688%0.87681%0.808SS**  trans76.8109.8151.200000120.1
221A47.8Very low45.6Very low97 Ų97127.4 Ų127.480%0.80280%0.804SS**  trans177.996.5133.100000108.4
222F42.9Very low46.2Very low209 Ų209128.6 Ų128.692%0.91780%0.802SS**  61.9113.889.2-125.9-86000115
223G45.9Very low46.8Very low68 Ų68129.7 Ų129.770%0.70179%0.794SS**  trans155.278.8169.300000111.5
224Q51.7Low47.6Very low143 Ų143134.5 Ų134.567%0.66879%0.791SS**  84.5126.383.3-84.7-75.2-4.100114.4
225Y46.7Very low48.4Very low194 Ų194137.4 Ų137.476%0.76179%0.788SS**  trans74.4139165.2-82.3-95.8000121.2
226Q52Low49.4Very low156 Ų156145.7 Ų145.773%0.72981%0.81SS**  cis-179.9132-31-161.917717.200105
227P50.9Low49.9Very low122 Ų122148 Ų14879%0.79281%0.809SS**PPolyproline II helixtrans-95.5124.8171.131.7-28.4000112
228Q49.3Very low50.4Low201 Ų201150.4 Ų150.494%0.93981%0.807SS**PPolyproline II helixtrans-72125.9170.7-93.6174.5-51.300110.8
229Q51.8Low50.9Low195 Ų195153.9 Ų153.991%0.91181%0.812SS**PPolyproline II helixtrans-86.3140.1171.4-68.6-147.49.300111.8
230L52.6Low51.6Low143 Ų143157.4 Ų157.475%0.74981%0.814SS**  trans-104.4165.2171.8-148.593.5000108.6
231Q56.6Low52.1Low156 Ų156160.6 Ų160.673%0.72981%0.81SS**  trans86103.2-178.1-84.282.512.600115.5
232T56.3Low52.4Low123 Ų123164.8 Ų164.876%0.75581%0.81SS**  82.7131.760.4-52.50000113.1
233D54.2Low53.1Low122 Ų122161.6 Ų161.665%0.65280%0.803SS**  trans87106.1158.3-123.4-118.1000118.3
234R58.6Low53.6Low201 Ų201168.8 Ų168.876%0.75881%0.811SS**  141125.7116.2-74.9-147.2170.8164.1-3.4116.6
235M58.7Low53.8Low166 Ų166171 Ų17182%0.81882%0.822SS**  trans70.1102144.8-65.7-159.4-8300118.5
236Q58.2Low54.5Low273 Ų273168.9 Ų168.9100%1.27683%0.828SS**  -157.60101.9-74.4-149.22500110

Retrieved 236 of 236 residues in 32.2 ms (Link to these results)