A0A087XIZ1_POEFO Loading...

Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3

AlphaFold DB , UniProt , Accession A0A087XIZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 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
1M38.9Very low78.2Confident223 Ų22388.1 Ų88.1100%1.09945%0.448SS*.  0123.60-83.2-171.8-95.800108.4G3 R107M1-G3 PolarHBondContact O-N 3.13Å; M1-R107 PolarHBondContact O-NH1 3.05Å
2F43.4Very low79.7Confident192 Ų19282.8 Ų82.884%0.84242%0.42SS*.  trans-53.8130-176.5-57.7-86.3000110.1E4F2-E4 HydrophobicContact CB-CG 4.15Å; F2-E4 PolarHBondContact O-N 3.19Å; F2-E4 VanDerWaalsContact O-N 3.15Å
3G53.9Low81Confident43 Ų4382.4 Ų82.444%0.44341%0.41SS..  trans-76.199154.900000103.7M1 V5M1-G3 PolarHBondContact O-N 3.13Å; G3-V5 PolarHBondContact O-N 3.35Å; G3-V5 VanDerWaalsContact O-N 3.09Å
4E62.4Low81.9Confident135 Ų13579.9 Ų79.963%0.63140%0.402SS*.  trans-63.3113.3-177.2-65.5-178.8149.500107.7F2 M6F2-E4 HydrophobicContact CB-CG 4.15Å; F2-E4 PolarHBondContact O-N 3.19Å; F2-E4 VanDerWaalsContact O-N 3.15Å; E4-M6 PolarHBondContact O-N 3.46Å
5V83.3Confident82.6Confident81 Ų8179.3 Ų79.349%0.49140%0.4SS..  trans-64.2116160.5178.10000105G3 V26 L27 E28G3-V5 PolarHBondContact O-N 3.35Å; G3-V5 VanDerWaalsContact O-N 3.09Å; V5-V26 HydrophobicContact CG1-CG1 4.33Å; V5-L27 WeakPolarHBondContact CA-O 3.18Å; V5-E28 HydrophobicContact CG2-CG 4.22Å
6M93.8Very high83.1Confident25 Ų2587.2 Ų87.212%0.12343%0.425CS..EExtended strand (participates in β ladder)trans-111123.9178.2-175.9176.6-177.800108.8E4 V26 L27 R88 W89 A92E4-M6 PolarHBondContact O-N 3.46Å; M6-V26 CarbonylContact O-C 3.51Å; M6-L27 HydrophobicContact CB-CB 4.36Å; M6-L27 PolarHBondContact N-O 2.9Å; M6-L27 VanDerWaalsContact N-O 3.17Å; M6-L27 PolarHBondContact O-N 3Å; M6-R88 HydrophobicContact CE-CB 3.61Å; M6-R88 HydrophobicContact SD-CB 4.46Å; M6-W89 HydrophobicContact CB-CZ3 4.36Å; M6-W89 HydrophobicContact CE-CB 4.14Å; M6-W89 VanDerWaalsContact CE-CD1 3.41Å; M6-W89 HydrophobicContact CE-CD2 3.42Å; M6-W89 VanDerWaalsContact CE-CD2 3.42Å; M6-W89 VanDerWaalsContact CE-CE2 3.48Å; M6-W89 HydrophobicContact CE-CE3 4.08Å; M6-W89 HydrophobicContact CE-CG 3.42Å; M6-W89 VanDerWaalsContact CE-CG 3.42Å; M6-W89 HydrophobicContact CE-CZ2 4.18Å; M6-W89 HydrophobicContact CG-CD2 4.33Å; M6-W89 HydrophobicContact CG-CE3 4.14Å; M6-W89 HydrophobicContact CG-CH2 4.08Å; M6-W89 HydrophobicContact CG-CZ2 4.28Å; M6-W89 HydrophobicContact CG-CZ3 4.01Å; M6-W89 WeakPolarHBondContact O-CH2 3.31Å; M6-W89 VanDerWaalsContact SD-CA 3.58Å; M6-W89 HydrophobicContact SD-CB 4.37Å; M6-W89 HydrophobicContact SD-CD2 3.65Å; M6-W89 HydrophobicContact SD-CE3 3.66Å; M6-W89 HydrophobicContact SD-CG 3.98Å; M6-W89 HydrophobicContact SD-CZ3 4.15Å; M6-A92 HydrophobicContact CB-CB 3.88Å; M6-A92 HydrophobicContact CG-CB 4.24Å; M6-A92 HydrophobicContact SD-CB 3.39Å; M6-A92 WeakPolarHBondContact SD-CB 3.26Å
7E95.4Very high83.6Confident106 Ų10692.1 Ų92.150%0.49545%0.45SS..EExtended strand (participates in β ladder)trans-131.5157.2178.664-173.6-176.200111.4W24 F25 V26E7-W24 HydrophobicContact CB-CZ2 3.7Å; E7-W24 HydrophobicContact CG-CH2 4.28Å; E7-W24 HydrophobicContact CG-CZ2 3.6Å; E7-F25 CarbonylContact C-O 3.55Å; E7-F25 WeakPolarHBondContact CA-O 3.3Å; E7-V26 HydrophobicContact CB-CG2 4.15Å
8G95.8Very high84Confident12 Ų1290.7 Ų90.712%0.12445%0.448CS..EExtended strand (participates in β ladder)trans154.6175.9176.300000113.8L10 F25G8-L10 PolarHBondContact O-N 3.41Å; G8-F25 PolarHBondContact N-O 3.34Å; G8-F25 PolarHBondContact O-N 2.75Å
9I96.9Very high84.6Confident69 Ų6986.6 Ų86.635%0.35443%0.431SS..EExtended strand (participates in β ladder)trans-77.6125.4178.5-61.8-67.7000110.7P22 R23 W24I9-P22 HydrophobicContact CG2-CB 3.83Å; I9-R23 WeakPolarHBondContact CA-O 3.4Å; I9-W24 HydrophobicContact CD1-CB 4.42Å; I9-W24 HydrophobicContact CD1-CE3 3.72Å; I9-W24 HydrophobicContact CD1-CZ3 4.47Å; I9-W24 HydrophobicContact CG1-CE3 3.97Å; I9-W24 HydrophobicContact CG1-CZ3 4.28Å
10L98Very high85.2Confident1 Ų185.5 Ų85.51%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-120.3147159.7-64.8172.6000109.1G8 K12 R23 F25 V78 A80 W89G8-L10 PolarHBondContact O-N 3.41Å; L10-K12 PolarHBondContact O-N 2.9Å; L10-R23 PolarHBondContact N-O 3.29Å; L10-R23 PolarHBondContact O-N 3.45Å; L10-F25 HydrophobicContact CB-CD2 3.55Å; L10-F25 HydrophobicContact CB-CE2 3.69Å; L10-F25 HydrophobicContact CB-CG 4.31Å; L10-F25 HydrophobicContact CD1-CB 4.23Å; L10-F25 HydrophobicContact CD1-CD1 4.39Å; L10-F25 HydrophobicContact CD1-CD2 4.06Å; L10-F25 HydrophobicContact CD1-CE2 4.45Å; L10-F25 HydrophobicContact CD1-CG 3.99Å; L10-F25 HydrophobicContact CG-CD2 4.13Å; L10-F25 HydrophobicContact CG-CG 4.45Å; L10-V78 HydrophobicContact CD1-CB 4.43Å; L10-V78 HydrophobicContact CD1-CG2 4.3Å; L10-A80 HydrophobicContact CD2-CB 3.81Å; L10-W89 HydrophobicContact CD1-CD2 3.87Å; L10-W89 HydrophobicContact CD1-CE3 4.3Å; L10-W89 HydrophobicContact CD1-CG 4.23Å; L10-W89 HydrophobicContact CD1-CZ2 4.15Å; L10-W89 HydrophobicContact CD2-CD2 4.43Å; L10-W89 HydrophobicContact CD2-CG 4.13Å; L10-W89 HydrophobicContact CG-CD2 4.34Å; L10-W89 HydrophobicContact CG-CZ2 4.19Å
11Y98Very high85.8Confident82 Ų8284.9 Ų84.932%0.32242%0.418SS..EExtended strand (participates in β ladder)trans-82.5117.4170.6-66.2-89.7000108.7W20 Q21 P22 V78 R79 V81Y11-W20 VanDerWaalsContact O-CE3 3.27Å; Y11-W20 VanDerWaalsContact O-CZ3 3.32Å; Y11-W20 WeakPolarHBondContact O-CZ3 3.25Å; Y11-Q21 CarbonylContact C-O 3.48Å; Y11-Q21 WeakPolarHBondContact CA-O 3.36Å; Y11-P22 HydrophobicContact CD1-CB 4.21Å; Y11-P22 HydrophobicContact CE1-CB 3.95Å; Y11-P22 HydrophobicContact CE1-CG 4.42Å; Y11-V78 CarbonylContact O-C 3.53Å; Y11-V78 VanDerWaalsContact O-CA 3.26Å; Y11-V78 WeakPolarHBondContact O-CA 3.33Å; Y11-R79 PolarHBondContact N-O 2.77Å; Y11-R79 PolarHBondContact O-N 3.31Å; Y11-V81 HydrophobicContact CE2-CG2 4.22Å
12K97.3Very high88.6Confident25 Ų2577.1 Ų77.111%0.10938%0.384CS..EExtended strand (participates in β ladder)trans-99.2134.1175.3-175-179.7176.5-66.80109.5L10 T14 Q21 R23 F25 Y34 V78L10-K12 PolarHBondContact O-N 2.9Å; K12-T14 PolarHBondContact O-N 3.42Å; K12-Q21 PolarHBondContact N-O 2.97Å; K12-Q21 PolarHBondContact O-N 3.36Å; K12-R23 HydrophobicContact CB-CG 4.1Å; K12-F25 HydrophobicContact CB-CE2 4.19Å; K12-F25 HydrophobicContact CB-CZ 4.11Å; K12-F25 HydrophobicContact CD-CZ 4.15Å; K12-F25 HydrophobicContact CG-CZ 4.38Å; K12-Y34 HydrophobicContact CD-CD1 4.48Å; K12-Y34 HydrophobicContact CD-CD2 4.23Å; K12-Y34 HydrophobicContact CD-CE1 4.32Å; K12-Y34 HydrophobicContact CD-CE2 4.02Å; K12-Y34 HydrophobicContact CD-CG 4.46Å; K12-V78 HydrophobicContact CG-CG1 4.47Å
13W96.6Very high91.1Very high77 Ų7770.4 Ų70.429%0.29235%0.353SS..EExtended strand (participates in β ladder)trans-70.8127.1167.9-173.7-102.7000109.9Y16 G19 W20 Y77W13-Y16 AromaticContact CZ2-CD1 3.9Å; W13-Y16 HydrophobicContact CZ2-CD1 3.9Å; W13-Y16 HydrophobicContact CZ2-CE1 4.23Å; W13-Y16 HydrophobicContact CZ2-CG 4.41Å; W13-G19 WeakPolarHBondContact CA-O 3.3Å; W13-G19 VanDerWaalsContact CE3-C 3.43Å; W13-W20 HydrophobicContact CB-CD2 4.43Å; W13-W20 HydrophobicContact CB-CE3 4.11Å; W13-W20 HydrophobicContact CB-CH2 4.22Å; W13-W20 HydrophobicContact CB-CZ3 4.01Å; W13-W20 AromaticContact CE3-CD1 3.61Å; W13-W20 AromaticContact CE3-CD2 3.88Å; W13-W20 HydrophobicContact CE3-CD2 3.88Å; W13-W20 AromaticContact CE3-CE2 3.67Å; W13-W20 AromaticContact CE3-CG 3.86Å; W13-W20 HydrophobicContact CE3-CG 3.86Å; W13-W20 HydrophobicContact CE3-CZ2 4.3Å; W13-W20 AromaticContact CE3-NE1 3.47Å; W13-W20 AromaticContact CZ3-CD1 3.68Å; W13-W20 HydrophobicContact CZ3-CG 4.32Å; W13-W20 AromaticContact CZ3-NE1 3.65Å; W13-Y77 PolarHBondContact N-O 3.48Å
14T93.2Very high93.2Very high48 Ų4869.7 Ų69.729%0.29434%0.337SS..  trans-105.7-57.6-178.745.20000111.7K12 T18 G19 Q21K12-T14 PolarHBondContact O-N 3.42Å; T14-T18 PolarHBondContact OG1-OG1 3.01Å; T14-G19 PolarHBondContact N-O 2.98Å; T14-G19 PolarHBondContact OG1-O 3.42Å; T14-Q21 HydrophobicContact CG2-CB 4.14Å; T14-Q21 HydrophobicContact CG2-CG 4.09Å
15N93.1Very high94.8Very high71 Ų7163.3 Ų63.338%0.3831%0.307SS..  trans-164176.1175.161.335.5000110.9M17 T18 G19N15-M17 PolarHBondContact O-N 3.37Å; N15-M17 WeakPolarHBondContact OD1-CA 3.49Å; N15-M17 WeakPolarHBondContact OD1-CB 3.44Å; N15-M17 PolarHBondContact OD1-N 3.32Å; N15-T18 VanDerWaalsContact CG-OG1 3.24Å; N15-T18 PolarHBondContact O-N 2.76Å; N15-T18 WeakPolarHBondContact OD1-CB 3.28Å; N15-T18 PolarHBondContact OD1-N 2.73Å; N15-T18 PolarHBondContact OD1-OG1 3.27Å; N15-G19 VanDerWaalsContact O-CA 3.22Å; N15-G19 WeakPolarHBondContact O-CA 3.44Å; N15-G19 PolarHBondContact O-N 3.44Å
16Y90Very high95.4Very high205 Ų20560 Ų6080%0.80429%0.287SS*.THydrogen-bonded Turntrans-63.9-22.6178.4-70-74.8000114.8W13W13-Y16 AromaticContact CZ2-CD1 3.9Å; W13-Y16 HydrophobicContact CZ2-CD1 3.9Å; W13-Y16 HydrophobicContact CZ2-CE1 4.23Å; W13-Y16 HydrophobicContact CZ2-CG 4.41Å
17M90.9Very high95.5Very high170 Ų17059.1 Ų59.184%0.83728%0.283SS*.THydrogen-bonded Turntrans-83.5-36.6-178.1-58.9-63.5134.400112.6N15N15-M17 PolarHBondContact O-N 3.37Å; N15-M17 WeakPolarHBondContact OD1-CA 3.49Å; N15-M17 WeakPolarHBondContact OD1-CB 3.44Å; N15-M17 PolarHBondContact OD1-N 3.32Å
18T91.6Very high95.3Very high68 Ų6859 Ų5942%0.41728%0.282SS..THydrogen-bonded Turntrans-107.8-20-174.953.30000112.4T14 N15 Q21T14-T18 PolarHBondContact OG1-OG1 3.01Å; N15-T18 VanDerWaalsContact CG-OG1 3.24Å; N15-T18 PolarHBondContact O-N 2.76Å; N15-T18 WeakPolarHBondContact OD1-CB 3.28Å; N15-T18 PolarHBondContact OD1-N 2.73Å; N15-T18 PolarHBondContact OD1-OG1 3.27Å; T18-Q21 PolarHBondContact O-NE2 3.42Å
19G95.5Very high94.9Very high12 Ų1264 Ų6412%0.12431%0.306CS..  trans64.2-130173.700000113.9W13 T14 N15W13-G19 WeakPolarHBondContact CA-O 3.3Å; W13-G19 VanDerWaalsContact CE3-C 3.43Å; T14-G19 PolarHBondContact N-O 2.98Å; T14-G19 PolarHBondContact OG1-O 3.42Å; N15-G19 VanDerWaalsContact O-CA 3.22Å; N15-G19 WeakPolarHBondContact O-CA 3.44Å; N15-G19 PolarHBondContact O-N 3.44Å
20W96.9Very high94.6Very high65 Ų6561 Ų6125%0.24629%0.293CS..EExtended strand (participates in β ladder)trans-86.6122.9178.2-67.9100.4000110.3Y11 W13 Y77 R79Y11-W20 VanDerWaalsContact O-CE3 3.27Å; Y11-W20 VanDerWaalsContact O-CZ3 3.32Å; Y11-W20 WeakPolarHBondContact O-CZ3 3.25Å; W13-W20 HydrophobicContact CB-CD2 4.43Å; W13-W20 HydrophobicContact CB-CE3 4.11Å; W13-W20 HydrophobicContact CB-CH2 4.22Å; W13-W20 HydrophobicContact CB-CZ3 4.01Å; W13-W20 AromaticContact CE3-CD1 3.61Å; W13-W20 AromaticContact CE3-CD2 3.88Å; W13-W20 HydrophobicContact CE3-CD2 3.88Å; W13-W20 AromaticContact CE3-CE2 3.67Å; W13-W20 AromaticContact CE3-CG 3.86Å; W13-W20 HydrophobicContact CE3-CG 3.86Å; W13-W20 HydrophobicContact CE3-CZ2 4.3Å; W13-W20 AromaticContact CE3-NE1 3.47Å; W13-W20 AromaticContact CZ3-CD1 3.68Å; W13-W20 HydrophobicContact CZ3-CG 4.32Å; W13-W20 AromaticContact CZ3-NE1 3.65Å; W20-Y77 WeakPolarHBondContact CZ3-O 3.17Å; W20-R79 HydrophobicContact CE3-CB 3.98Å; W20-R79 HydrophobicContact CH2-CB 4.13Å; W20-R79 HydrophobicContact CZ3-CB 3.74Å
21Q97.1Very high94.4Very high73 Ų7363.1 Ų63.134%0.34131%0.305SS..EExtended strand (participates in β ladder)trans-120.4134-179.7-67.2-63.7-41.500110.4Y11 K12 T14 T18 R23Y11-Q21 CarbonylContact C-O 3.48Å; Y11-Q21 WeakPolarHBondContact CA-O 3.36Å; K12-Q21 PolarHBondContact N-O 2.97Å; K12-Q21 PolarHBondContact O-N 3.36Å; T14-Q21 HydrophobicContact CG2-CB 4.14Å; T14-Q21 HydrophobicContact CG2-CG 4.09Å; T18-Q21 PolarHBondContact O-NE2 3.42Å; Q21-R23 PolarHBondContact O-N 3.03Å
22P96.9Very high94.3Very high60 Ų6059.2 Ų59.239%0.3929%0.29SS..EExtended strand (participates in β ladder)trans-64.9132.8173.929.4-33.2000108.8I9 Y11I9-P22 HydrophobicContact CG2-CB 3.83Å; Y11-P22 HydrophobicContact CD1-CB 4.21Å; Y11-P22 HydrophobicContact CE1-CB 3.95Å; Y11-P22 HydrophobicContact CE1-CG 4.42Å
23R97.2Very high94.2Very high50 Ų5058.9 Ų58.919%0.18929%0.291CS..EExtended strand (participates in β ladder)trans-136.8143175.5-63.5-61.9179.2127.8-15.8108.7I9 L10 K12 Q21 F25 Y34 Y35 D36I9-R23 WeakPolarHBondContact CA-O 3.4Å; L10-R23 PolarHBondContact N-O 3.29Å; L10-R23 PolarHBondContact O-N 3.45Å; K12-R23 HydrophobicContact CB-CG 4.1Å; Q21-R23 PolarHBondContact O-N 3.03Å; R23-F25 HydrophobicContact CB-CD2 4.07Å; R23-F25 HydrophobicContact CB-CE2 3.71Å; R23-F25 WeakPolarHBondContact O-CD2 3.46Å; R23-F25 PolarHBondContact O-N 2.91Å; R23-Y34 HydrophobicContact CB-CD2 4.2Å; R23-Y34 HydrophobicContact CG-CD2 4.12Å; R23-Y35 WeakPolarHBondContact CD-O 3.31Å; R23-D36 IonicContact CZ-OD1 2.64Å; R23-D36 VanDerWaalsContact CZ-OD1 3.24Å; R23-D36 IonicContact NH1-OD1 3.28Å; R23-D36 PolarHBondContact NH1-OD1 3.48Å; R23-D36 IonicContact NH2-OD1 3.24Å
24W96.9Very high94.2Very high29 Ų2956.7 Ų56.711%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-76.8120.4171.5-171.4-106.2000108.5E7 I9 Y34 Y35 E38E7-W24 HydrophobicContact CB-CZ2 3.7Å; E7-W24 HydrophobicContact CG-CH2 4.28Å; E7-W24 HydrophobicContact CG-CZ2 3.6Å; I9-W24 HydrophobicContact CD1-CB 4.42Å; I9-W24 HydrophobicContact CD1-CE3 3.72Å; I9-W24 HydrophobicContact CD1-CZ3 4.47Å; I9-W24 HydrophobicContact CG1-CE3 3.97Å; I9-W24 HydrophobicContact CG1-CZ3 4.28Å; W24-Y34 CarbonylContact O-C 3.59Å; W24-Y34 VanDerWaalsContact O-CA 3.22Å; W24-Y34 WeakPolarHBondContact O-CA 3.35Å; W24-Y35 PolarHBondContact N-O 2.95Å; W24-Y35 PolarHBondContact O-N 3.39Å; W24-E38 HydrophobicContact CD2-CB 3.82Å; W24-E38 HydrophobicContact CD2-CG 4.14Å; W24-E38 HydrophobicContact CE3-CB 4.09Å; W24-E38 HydrophobicContact CG-CB 4.1Å; W24-E38 HydrophobicContact CH2-CG 4.2Å; W24-E38 HydrophobicContact CZ2-CB 4.35Å; W24-E38 HydrophobicContact CZ2-CG 3.78Å; W24-E38 HydrophobicContact CZ3-CB 4.45Å
25F97.2Very high94.3Very high0 Ų055.7 Ų55.70%027%0.274CS..EExtended strand (participates in β ladder)trans-107.3142.8174.9-80.2-101000109.6E7 G8 L10 K12 R23 I32 S33 Y34 F76 V78 W89E7-F25 CarbonylContact C-O 3.55Å; E7-F25 WeakPolarHBondContact CA-O 3.3Å; G8-F25 PolarHBondContact N-O 3.34Å; G8-F25 PolarHBondContact O-N 2.75Å; L10-F25 HydrophobicContact CB-CD2 3.55Å; L10-F25 HydrophobicContact CB-CE2 3.69Å; L10-F25 HydrophobicContact CB-CG 4.31Å; L10-F25 HydrophobicContact CD1-CB 4.23Å; L10-F25 HydrophobicContact CD1-CD1 4.39Å; L10-F25 HydrophobicContact CD1-CD2 4.06Å; L10-F25 HydrophobicContact CD1-CE2 4.45Å; L10-F25 HydrophobicContact CD1-CG 3.99Å; L10-F25 HydrophobicContact CG-CD2 4.13Å; L10-F25 HydrophobicContact CG-CG 4.45Å; K12-F25 HydrophobicContact CB-CE2 4.19Å; K12-F25 HydrophobicContact CB-CZ 4.11Å; K12-F25 HydrophobicContact CD-CZ 4.15Å; K12-F25 HydrophobicContact CG-CZ 4.38Å; R23-F25 HydrophobicContact CB-CD2 4.07Å; R23-F25 HydrophobicContact CB-CE2 3.71Å; R23-F25 WeakPolarHBondContact O-CD2 3.46Å; R23-F25 PolarHBondContact O-N 2.91Å; F25-I32 HydrophobicContact CB-CD1 4.46Å; F25-I32 HydrophobicContact CD1-CD1 3.72Å; F25-I32 HydrophobicContact CD1-CG1 3.77Å; F25-I32 HydrophobicContact CE1-CD1 4.43Å; F25-I32 HydrophobicContact CG-CD1 4.49Å; F25-S33 CarbonylContact C-O 3.51Å; F25-S33 VanDerWaalsContact CA-O 3.31Å; F25-S33 WeakPolarHBondContact CA-O 3.37Å; F25-Y34 HydrophobicContact CE1-CD1 4.4Å; F25-Y34 HydrophobicContact CE1-CG 4.21Å; F25-Y34 HydrophobicContact CZ-CG 4.19Å; F25-F76 HydrophobicContact CE1-CD2 4.26Å; F25-F76 HydrophobicContact CE1-CE2 4.49Å; F25-V78 HydrophobicContact CE1-CG1 4.26Å; F25-V78 HydrophobicContact CE2-CG1 4.43Å; F25-V78 HydrophobicContact CZ-CG1 3.74Å; F25-W89 HydrophobicContact CB-CH2 3.67Å; F25-W89 HydrophobicContact CB-CZ2 4.02Å; F25-W89 HydrophobicContact CB-CZ3 4.42Å
26V95.8Very high94.3Very high13 Ų1355.5 Ų55.58%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-132.3124.9175.7-176.50000107.6V5 M6 E7 E28 I32 S33 Y35V5-V26 HydrophobicContact CG1-CG1 4.33Å; M6-V26 CarbonylContact O-C 3.51Å; E7-V26 HydrophobicContact CB-CG2 4.15Å; V26-E28 HydrophobicContact CG1-CB 4.33Å; V26-I32 CarbonylContact O-C 3.55Å; V26-I32 WeakPolarHBondContact O-CA 3.34Å; V26-S33 PolarHBondContact N-O 2.89Å; V26-S33 PolarHBondContact O-N 3.42Å; V26-Y35 HydrophobicContact CB-CE2 4.19Å; V26-Y35 HydrophobicContact CG2-CD2 4.24Å; V26-Y35 HydrophobicContact CG2-CE2 3.84Å
27L95Very high94.4Very high5 Ų547.7 Ų47.73%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-105.4111.1171.2174.168000108.2V5 M6 V31 I32 M51 W89 A92 L93V5-L27 WeakPolarHBondContact CA-O 3.18Å; M6-L27 HydrophobicContact CB-CB 4.36Å; M6-L27 PolarHBondContact N-O 2.9Å; M6-L27 VanDerWaalsContact N-O 3.17Å; M6-L27 PolarHBondContact O-N 3Å; L27-V31 WeakPolarHBondContact CA-O 3.47Å; L27-I32 HydrophobicContact CD1-CB 3.98Å; L27-M51 HydrophobicContact CD1-CG 3.66Å; L27-M51 HydrophobicContact CD1-SD 4.36Å; L27-W89 HydrophobicContact CB-CZ3 4.06Å; L27-A92 HydrophobicContact CD2-CB 3.79Å; L27-L93 HydrophobicContact CD1-CD2 4.14Å; L27-L93 HydrophobicContact CD2-CD2 4Å; L27-L93 HydrophobicContact CD2-CG 4.35Å
28E91.5Very high94.4Very high103 Ų10344.8 Ų44.848%0.48123%0.232SC..EExtended strand (participates in β ladder)trans-141.8139-178.3-175.5173.5-148.300109.2V5 V26 G30 V31V5-E28 HydrophobicContact CG2-CG 4.22Å; V26-E28 HydrophobicContact CG1-CB 4.33Å; E28-G30 VanDerWaalsContact C-N 3.25Å; E28-G30 PolarHBondContact O-N 2.98Å; E28-V31 PolarHBondContact N-O 3.27Å; E28-V31 PolarHBondContact O-N 3.48Å
29D88.3Confident94.2Very high118 Ų11848.3 Ų48.363%0.63125%0.249SC*.THydrogen-bonded Turntrans48.440.6174.9-66.7-28.5000115.7V31D29-V31 VanDerWaalsContact C-N 3.27Å; D29-V31 PolarHBondContact O-N 2.85Å
30G90.3Very high93.7Very high7 Ų749 Ų497%0.07225%0.249CC..THydrogen-bonded Turntrans79.67.9178.900000114.2E28 K50 M51 S96E28-G30 VanDerWaalsContact C-N 3.25Å; E28-G30 PolarHBondContact O-N 2.98Å; G30-K50 CarbonylContact O-C 3.55Å; G30-M51 WeakPolarHBondContact O-CB 3.5Å; G30-M51 PolarHBondContact O-N 2.8Å; G30-S96 VanDerWaalsContact CA-OG 3.28Å; G30-S96 WeakPolarHBondContact CA-OG 3.3Å
31V93.1Very high93Very high44 Ų4448.7 Ų48.727%0.26726%0.255SS..EExtended strand (participates in β ladder)trans-126.3125.6-178.1-1770000109.7L27 E28 D29 I49 K50L27-V31 WeakPolarHBondContact CA-O 3.47Å; E28-V31 PolarHBondContact N-O 3.27Å; E28-V31 PolarHBondContact O-N 3.48Å; D29-V31 VanDerWaalsContact C-N 3.27Å; D29-V31 PolarHBondContact O-N 2.85Å; V31-I49 CarbonylContact C-O 3.58Å; V31-I49 WeakPolarHBondContact CA-O 3.38Å; V31-K50 HydrophobicContact CG2-CB 4.49Å; V31-K50 HydrophobicContact CG2-CG 4.36Å
32I95.3Very high92.1Very high0 Ų050.1 Ų50.10%028%0.279CS..EExtended strand (participates in β ladder)trans-95.9121168.8-176.4164.1000109.7F25 V26 L27 S48 I49 M51 L68 W89 L93F25-I32 HydrophobicContact CB-CD1 4.46Å; F25-I32 HydrophobicContact CD1-CD1 3.72Å; F25-I32 HydrophobicContact CD1-CG1 3.77Å; F25-I32 HydrophobicContact CE1-CD1 4.43Å; F25-I32 HydrophobicContact CG-CD1 4.49Å; V26-I32 CarbonylContact O-C 3.55Å; V26-I32 WeakPolarHBondContact O-CA 3.34Å; L27-I32 HydrophobicContact CD1-CB 3.98Å; I32-S48 CarbonylContact O-C 3.59Å; I32-S48 WeakPolarHBondContact O-CA 3.5Å; I32-I49 HydrophobicContact CG2-CB 3.79Å; I32-I49 HydrophobicContact CG2-CG2 4.29Å; I32-I49 PolarHBondContact N-O 3.24Å; I32-I49 PolarHBondContact O-N 3.12Å; I32-M51 HydrophobicContact CB-SD 4.17Å; I32-M51 HydrophobicContact CG2-SD 3.53Å; I32-M51 VanDerWaalsContact CG2-SD 3.53Å; I32-L68 HydrophobicContact CD1-CD1 4.05Å; I32-L68 HydrophobicContact CG2-CD1 3.98Å; I32-W89 HydrophobicContact CD1-CE3 4.28Å; I32-W89 HydrophobicContact CD1-CZ3 3.84Å; I32-L93 HydrophobicContact CB-CD2 4.29Å; I32-L93 HydrophobicContact CD1-CD2 3.76Å; I32-L93 HydrophobicContact CG2-CD2 4.41Å
33S95.6Very high91.4Very high18 Ų1855.3 Ų55.313%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-116.5153.8179.7-60.50000110.3F25 V26 G47 S48F25-S33 CarbonylContact C-O 3.51Å; F25-S33 VanDerWaalsContact CA-O 3.31Å; F25-S33 WeakPolarHBondContact CA-O 3.37Å; V26-S33 PolarHBondContact N-O 2.89Å; V26-S33 PolarHBondContact O-N 3.42Å; S33-G47 WeakPolarHBondContact CA-O 3.2Å; S33-S48 VanDerWaalsContact OG-CB 3.29Å; S33-S48 WeakPolarHBondContact OG-CB 3.44Å
34Y96.3Very high90.8Very high31 Ų3154.8 Ų54.812%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-131.5152.417479.5-83.3000113.5K12 R23 W24 F25 K46 G47 F76K12-Y34 HydrophobicContact CD-CD1 4.48Å; K12-Y34 HydrophobicContact CD-CD2 4.23Å; K12-Y34 HydrophobicContact CD-CE1 4.32Å; K12-Y34 HydrophobicContact CD-CE2 4.02Å; K12-Y34 HydrophobicContact CD-CG 4.46Å; R23-Y34 HydrophobicContact CB-CD2 4.2Å; R23-Y34 HydrophobicContact CG-CD2 4.12Å; W24-Y34 CarbonylContact O-C 3.59Å; W24-Y34 VanDerWaalsContact O-CA 3.22Å; W24-Y34 WeakPolarHBondContact O-CA 3.35Å; F25-Y34 HydrophobicContact CE1-CD1 4.4Å; F25-Y34 HydrophobicContact CE1-CG 4.21Å; F25-Y34 HydrophobicContact CZ-CG 4.19Å; Y34-K46 HydrophobicContact CD2-CB 3.97Å; Y34-K46 HydrophobicContact CE1-CB 4.25Å; Y34-K46 HydrophobicContact CE2-CB 3.4Å; Y34-K46 HydrophobicContact CE2-CG 4.25Å; Y34-K46 PolarHBondContact O-N 2.97Å; Y34-K46 PolarHBondContact OH-O 2.92Å; Y34-G47 VanDerWaalsContact CD1-O 3.24Å; Y34-G47 WeakPolarHBondContact CD1-O 3.36Å; Y34-G47 PolarHBondContact N-O 3.49Å; Y34-F76 AromaticContact CD1-CE2 3.82Å; Y34-F76 HydrophobicContact CD1-CE2 3.82Å; Y34-F76 AromaticContact CD1-CZ 3.75Å; Y34-F76 HydrophobicContact CD1-CZ 3.75Å; Y34-F76 HydrophobicContact CE1-CE1 4.09Å; Y34-F76 HydrophobicContact CE1-CE2 4.04Å; Y34-F76 AromaticContact CE1-CZ 3.47Å; Y34-F76 HydrophobicContact CE1-CZ 3.47Å; Y34-F76 VanDerWaalsContact CE1-CZ 3.47Å
35Y96Very high90.5Very high28 Ų2856 Ų5611%0.1132%0.319CS..EExtended strand (participates in β ladder)trans-132.9163.7-173.9-52.4-93.6000110.2R23 W24 V26 S37 V41 S45R23-Y35 WeakPolarHBondContact CD-O 3.31Å; W24-Y35 PolarHBondContact N-O 2.95Å; W24-Y35 PolarHBondContact O-N 3.39Å; V26-Y35 HydrophobicContact CB-CE2 4.19Å; V26-Y35 HydrophobicContact CG2-CD2 4.24Å; V26-Y35 HydrophobicContact CG2-CE2 3.84Å; Y35-S37 WeakPolarHBondContact CB-O 3.42Å; Y35-V41 HydrophobicContact CD1-CB 4.4Å; Y35-V41 HydrophobicContact CD1-CG2 4.19Å; Y35-V41 HydrophobicContact CD2-CG2 3.87Å; Y35-V41 HydrophobicContact CE1-CB 4.27Å; Y35-V41 HydrophobicContact CE1-CG1 4.23Å; Y35-V41 HydrophobicContact CE1-CG2 4.3Å; Y35-V41 HydrophobicContact CE2-CG2 4.03Å; Y35-V41 HydrophobicContact CG-CG2 3.97Å; Y35-S45 VanDerWaalsContact CE1-CA 3.41Å
36D92.7Very high90.3Very high67 Ų6761.5 Ų61.536%0.35834%0.343SS..SBendtrans-66.4-42.8174.6-71.5-26.8000110.2R23 D40 K46R23-D36 IonicContact CZ-OD1 2.64Å; R23-D36 VanDerWaalsContact CZ-OD1 3.24Å; R23-D36 IonicContact NH1-OD1 3.28Å; R23-D36 PolarHBondContact NH1-OD1 3.48Å; R23-D36 IonicContact NH2-OD1 3.24Å; D36-D40 WeakPolarHBondContact CB-OD2 3.4Å; D36-K46 WeakPolarHBondContact OD1-CE 3.39Å; D36-K46 WeakPolarHBondContact OD2-CE 3.48Å; D36-K46 IonicContact OD2-NZ 2.88Å; D36-K46 PolarHBondContact OD2-NZ 2.98Å
37S91.8Very high90.2Very high40 Ų4061.6 Ų61.628%0.2835%0.346SS..SBendtrans-146.6172.6174.368.80000111.6Y35 D39 D40Y35-S37 WeakPolarHBondContact CB-O 3.42Å; S37-D39 VanDerWaalsContact C-N 3.34Å; S37-D40 PolarHBondContact N-OD2 3.46Å; S37-D40 PolarHBondContact O-N 3.37Å; S37-D40 PolarHBondContact OG-OD2 3.41Å
38E90.6Very high90.2Very high109 Ų10963.9 Ų63.951%0.50936%0.362SS..G310 helixtrans-61.1-41.3175.4-175177.2179.500111.8W24 D40 V41W24-E38 HydrophobicContact CD2-CB 3.82Å; W24-E38 HydrophobicContact CD2-CG 4.14Å; W24-E38 HydrophobicContact CE3-CB 4.09Å; W24-E38 HydrophobicContact CG-CB 4.1Å; W24-E38 HydrophobicContact CH2-CG 4.2Å; W24-E38 HydrophobicContact CZ2-CB 4.35Å; W24-E38 HydrophobicContact CZ2-CG 3.78Å; W24-E38 HydrophobicContact CZ3-CB 4.45Å; E38-D40 PolarHBondContact O-N 3.47Å; E38-D40 VanDerWaalsContact O-N 3.17Å; E38-V41 WeakPolarHBondContact O-CG2 3.46Å; E38-V41 PolarHBondContact O-N 2.94Å
39D88.3Confident90.4Very high142 Ų14259.1 Ų59.176%0.75934%0.34SS*.G310 helixtrans-66.2-19177.9-60.1-49.4000113.2S37 V41S37-D39 VanDerWaalsContact C-N 3.34Å; D39-V41 VanDerWaalsContact C-N 3.32Å
40D85.8Confident90.6Very high26 Ų2658.8 Ų58.814%0.13933%0.333CS..G310 helixtrans-860.4-178.7-65.3-45.4000113.6D36 S37 E38 A42 K43D36-D40 WeakPolarHBondContact CB-OD2 3.4Å; S37-D40 PolarHBondContact N-OD2 3.46Å; S37-D40 PolarHBondContact O-N 3.37Å; S37-D40 PolarHBondContact OG-OD2 3.41Å; E38-D40 PolarHBondContact O-N 3.47Å; E38-D40 VanDerWaalsContact O-N 3.17Å; D40-A42 PolarHBondContact O-N 3.37Å; D40-K43 HydrophobicContact CB-CD 4.37Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.94Å; D40-K43 VanDerWaalsContact OD1-CD 3.26Å; D40-K43 WeakPolarHBondContact OD1-CD 3.47Å; D40-K43 VanDerWaalsContact OD1-CE 3.22Å; D40-K43 WeakPolarHBondContact OD1-CE 3.36Å; D40-K43 IonicContact OD1-NZ 3.52Å; D40-K43 PolarHBondContact OD1-NZ 3.38Å
41V80.9Confident90.7Very high60 Ų6058.4 Ų58.436%0.36433%0.33SS..G310 helixtrans-56.7-36.1179173.70000111.5Y35 E38 D39 K43 G44Y35-V41 HydrophobicContact CD1-CB 4.4Å; Y35-V41 HydrophobicContact CD1-CG2 4.19Å; Y35-V41 HydrophobicContact CD2-CG2 3.87Å; Y35-V41 HydrophobicContact CE1-CB 4.27Å; Y35-V41 HydrophobicContact CE1-CG1 4.23Å; Y35-V41 HydrophobicContact CE1-CG2 4.3Å; Y35-V41 HydrophobicContact CE2-CG2 4.03Å; Y35-V41 HydrophobicContact CG-CG2 3.97Å; E38-V41 WeakPolarHBondContact O-CG2 3.46Å; E38-V41 PolarHBondContact O-N 2.94Å; D39-V41 VanDerWaalsContact C-N 3.32Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.36Å; V41-G44 PolarHBondContact O-N 3.01Å
42A79Confident90.6Very high103 Ų10358.6 Ų58.685%0.85133%0.333SS*.G310 helixtrans-70.4-18.8176.400000114.4D40 G44D40-A42 PolarHBondContact O-N 3.37Å; A42-G44 VanDerWaalsContact C-N 3.34Å
43K82.8Confident90.4Very high168 Ų16862.4 Ų62.473%0.7336%0.356SS*.G310 helixtrans-85.5-10.1-178.8-60.2-179.4-170161.50113D40 V41D40-K43 HydrophobicContact CB-CD 4.37Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.94Å; D40-K43 VanDerWaalsContact OD1-CD 3.26Å; D40-K43 WeakPolarHBondContact OD1-CD 3.47Å; D40-K43 VanDerWaalsContact OD1-CE 3.22Å; D40-K43 WeakPolarHBondContact OD1-CE 3.36Å; D40-K43 IonicContact OD1-NZ 3.52Å; D40-K43 PolarHBondContact OD1-NZ 3.38Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.36Å
44G82.8Confident90.3Very high39 Ų3961.6 Ų61.640%0.40235%0.35SS..  trans101.7148.9-179.900000113.4V41 A42V41-G44 PolarHBondContact O-N 3.01Å; A42-G44 VanDerWaalsContact C-N 3.34Å
45S91.6Very high90.2Very high55 Ų5563.7 Ų63.739%0.38536%0.363SS..  trans-68.9141.9-17762.50000112Y35 G47Y35-S45 VanDerWaalsContact CE1-CA 3.41Å; S45-G47 VanDerWaalsContact C-N 3.28Å
46K93.7Very high90.2Very high116 Ų11664.5 Ų64.550%0.50437%0.369SS..SBendtrans-77.6-17.1172.4-63.6-63.3-175.6165.90113.1Y34 D36Y34-K46 HydrophobicContact CD2-CB 3.97Å; Y34-K46 HydrophobicContact CE1-CB 4.25Å; Y34-K46 HydrophobicContact CE2-CB 3.4Å; Y34-K46 HydrophobicContact CE2-CG 4.25Å; Y34-K46 PolarHBondContact O-N 2.97Å; Y34-K46 PolarHBondContact OH-O 2.92Å; D36-K46 WeakPolarHBondContact OD1-CE 3.39Å; D36-K46 WeakPolarHBondContact OD2-CE 3.48Å; D36-K46 IonicContact OD2-NZ 2.88Å; D36-K46 PolarHBondContact OD2-NZ 2.98Å
47G93.1Very high90.4Very high14 Ų1467 Ų6714%0.14438%0.377CS..EExtended strand (participates in β ladder)trans175.2159171.700000110.2S33 Y34 S45S33-G47 WeakPolarHBondContact CA-O 3.2Å; Y34-G47 VanDerWaalsContact CD1-O 3.24Å; Y34-G47 WeakPolarHBondContact CD1-O 3.36Å; Y34-G47 PolarHBondContact N-O 3.49Å; S45-G47 VanDerWaalsContact C-N 3.28Å
48S94.5Very high90.6Very high54 Ų5468.5 Ų68.538%0.37838%0.384SS..EExtended strand (participates in β ladder)trans-144.3157-177.759.30000111.2I32 S33 Q74I32-S48 CarbonylContact O-C 3.59Å; I32-S48 WeakPolarHBondContact O-CA 3.5Å; S33-S48 VanDerWaalsContact OG-CB 3.29Å; S33-S48 WeakPolarHBondContact OG-CB 3.44Å; S48-Q74 PolarHBondContact O-NE2 2.72Å
49I95Very high90.8Very high2 Ų266.1 Ų66.11%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-133127.8177.3-69.5-175.8000108V31 I32 M51 C54 L68 I70 Q74 F76V31-I49 CarbonylContact C-O 3.58Å; V31-I49 WeakPolarHBondContact CA-O 3.38Å; I32-I49 HydrophobicContact CG2-CB 3.79Å; I32-I49 HydrophobicContact CG2-CG2 4.29Å; I32-I49 PolarHBondContact N-O 3.24Å; I32-I49 PolarHBondContact O-N 3.12Å; I49-M51 PolarHBondContact O-N 3.4Å; I49-C54 HydrophobicContact CG2-CB 3.42Å; I49-C54 VanDerWaalsContact CG2-CB 3.42Å; I49-L68 HydrophobicContact CD1-CB 3.9Å; I49-I70 HydrophobicContact CB-CD1 4.2Å; I49-I70 HydrophobicContact CD1-CG1 4.47Å; I49-I70 HydrophobicContact CG1-CD1 3.98Å; I49-I70 HydrophobicContact CG1-CG1 4.34Å; I49-I70 HydrophobicContact CG2-CD1 3.87Å; I49-I70 HydrophobicContact CG2-CG1 3.87Å; I49-Q74 HydrophobicContact CD1-CG 4.35Å; I49-Q74 HydrophobicContact CG1-CG 4.47Å; I49-F76 HydrophobicContact CD1-CB 4.36Å; I49-F76 HydrophobicContact CD1-CD1 4.23Å; I49-F76 HydrophobicContact CD1-CD2 3.37Å; I49-F76 HydrophobicContact CD1-CE1 4.43Å; I49-F76 HydrophobicContact CD1-CE2 3.61Å; I49-F76 HydrophobicContact CD1-CG 3.72Å; I49-F76 HydrophobicContact CD1-CZ 4.15Å; I49-F76 HydrophobicContact CG1-CD2 4.03Å; I49-F76 HydrophobicContact CG1-CE2 3.72Å; I49-F76 HydrophobicContact CG1-CZ 4.15Å
50K92.9Very high91Very high111 Ų11165.3 Ų65.348%0.48338%0.375SS..EExtended strand (participates in β ladder)trans-78.9120.2169.9-169.8174.9-175.7168.80109.8G30 V31 S52 V53 C54G30-K50 CarbonylContact O-C 3.55Å; V31-K50 HydrophobicContact CG2-CB 4.49Å; V31-K50 HydrophobicContact CG2-CG 4.36Å; K50-S52 WeakPolarHBondContact CE-OG 3.25Å; K50-S52 WeakPolarHBondContact CG-OG 3.49Å; K50-S52 PolarHBondContact O-N 3.01Å; K50-V53 HydrophobicContact CB-CG2 4.18Å; K50-V53 WeakPolarHBondContact O-CG2 3.39Å; K50-V53 PolarHBondContact O-N 3.38Å; K50-C54 WeakPolarHBondContact O-CB 3.48Å; K50-C54 PolarHBondContact O-N 3.17Å
51M93.6Very high91.4Very high0 Ų070 Ų700%041%0.405CS..G310 helixtrans-62.3-30.7-174.4-66.3-49.9-57.400113.1L27 G30 I32 I49 V53 C54 I56 L93 K97L27-M51 HydrophobicContact CD1-CG 3.66Å; L27-M51 HydrophobicContact CD1-SD 4.36Å; G30-M51 WeakPolarHBondContact O-CB 3.5Å; G30-M51 PolarHBondContact O-N 2.8Å; I32-M51 HydrophobicContact CB-SD 4.17Å; I32-M51 HydrophobicContact CG2-SD 3.53Å; I32-M51 VanDerWaalsContact CG2-SD 3.53Å; I49-M51 PolarHBondContact O-N 3.4Å; M51-V53 PolarHBondContact O-N 3.22Å; M51-C54 PolarHBondContact O-N 3.04Å; M51-I56 HydrophobicContact CE-CD1 3.78Å; M51-I56 HydrophobicContact CE-CG1 4.02Å; M51-L93 HydrophobicContact CE-CB 3.74Å; M51-L93 HydrophobicContact CE-CD2 3.42Å; M51-L93 VanDerWaalsContact CE-CD2 3.42Å; M51-L93 HydrophobicContact CE-CG 4.16Å; M51-L93 HydrophobicContact CG-CD2 4.4Å; M51-L93 HydrophobicContact SD-CD2 3.47Å; M51-L93 WeakPolarHBondContact SD-CD2 3.39Å; M51-K97 HydrophobicContact CB-CB 4.33Å; M51-K97 WeakPolarHBondContact O-CG 3.37Å
52S90.4Very high92.1Very high48 Ų4868.8 Ų68.834%0.33640%0.397SS..G310 helixtrans-62.7-24.7179.367.20000114.4K50K50-S52 WeakPolarHBondContact CE-OG 3.25Å; K50-S52 WeakPolarHBondContact CG-OG 3.49Å; K50-S52 PolarHBondContact O-N 3.01Å
53V90.8Very high92.9Very high80 Ų8066.8 Ų66.849%0.48538%0.376SS..G310 helixtrans-1123.3179.9-58.10000112.5K50 M51 I70K50-V53 HydrophobicContact CB-CG2 4.18Å; K50-V53 WeakPolarHBondContact O-CG2 3.39Å; K50-V53 PolarHBondContact O-N 3.38Å; M51-V53 PolarHBondContact O-N 3.22Å; V53-I70 HydrophobicContact CG2-CD1 4.48Å; V53-I70 HydrophobicContact CG2-CG2 4.42Å
54C92.9Very high93.5Very high0 Ų059.5 Ų59.50%035%0.346CS..PPolyproline II helixtrans-98.3134.9-175.6178.80000111.4I49 K50 M51 I69 K97I49-C54 HydrophobicContact CG2-CB 3.42Å; I49-C54 VanDerWaalsContact CG2-CB 3.42Å; K50-C54 WeakPolarHBondContact O-CB 3.48Å; K50-C54 PolarHBondContact O-N 3.17Å; M51-C54 PolarHBondContact O-N 3.04Å; C54-I69 CarbonylContact C-O 3.44Å; C54-I69 WeakPolarHBondContact CA-O 3.39Å; C54-I69 PolarHBondContact SG-N 3.19Å; C54-K97 WeakPolarHBondContact O-CD 3.07Å; C54-K97 WeakPolarHBondContact O-CE 3.44Å; C54-K97 PolarHBondContact O-NZ 3.48Å
55D95Very high94.2Very high75 Ų7561.9 Ų61.940%0.40134%0.343SS..EExtended strand (participates in β ladder)trans-92131.1166.3-70.4-31.2000111.8I69 K97D55-I69 HydrophobicContact CB-CB 4.47Å; D55-I69 PolarHBondContact N-O 3.35Å; D55-I69 PolarHBondContact O-N 3.44Å; D55-K97 IonicContact OD1-NZ 2.65Å; D55-K97 PolarHBondContact OD1-NZ 2.81Å
56I96.1Very high94.5Very high46 Ų4659.4 Ų59.424%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-100.6117.7178.4-53.1167.3000107.1M51 E67 L68 L90 L93 K97M51-I56 HydrophobicContact CE-CD1 3.78Å; M51-I56 HydrophobicContact CE-CG1 4.02Å; I56-E67 WeakPolarHBondContact CA-O 3.48Å; I56-L68 HydrophobicContact CB-CD2 4.44Å; I56-L68 HydrophobicContact CG1-CD2 3.98Å; I56-L68 HydrophobicContact CG2-CD2 4.23Å; I56-L90 HydrophobicContact CG2-CD2 3.69Å; I56-L93 HydrophobicContact CD1-CB 3.72Å; I56-K97 HydrophobicContact CD1-CD 4.49Å
57K96.5Very high94.7Very high119 Ų11956.2 Ų56.252%0.51731%0.312SS..EExtended strand (participates in β ladder)trans-111.3127.1172.6-65.2-173.5-175.3173.10110.1L66 E67 I69K57-L66 CarbonylContact O-C 3.47Å; K57-L66 VanDerWaalsContact O-CA 3.29Å; K57-L66 WeakPolarHBondContact O-CA 3.14Å; K57-E67 HydrophobicContact CB-CB 4.27Å; K57-E67 PolarHBondContact N-O 3.1Å; K57-E67 PolarHBondContact O-N 3.5Å; K57-I69 HydrophobicContact CD-CD1 3.5Å; K57-I69 VanDerWaalsContact CD-CD1 3.5Å; K57-I69 HydrophobicContact CG-CD1 3.92Å
58V96.6Very high94.8Very high71 Ų7155.6 Ų55.643%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-92.2137.7174.5-173.60000108.7L90V58-L90 HydrophobicContact CG1-CD1 4.4Å; V58-L90 HydrophobicContact CG2-CD1 3.83Å; V58-L90 HydrophobicContact CG2-CD2 3.68Å; V58-L90 HydrophobicContact CG2-CG 4.44Å
59H95.6Very high94.9Very high59 Ų5954.1 Ų54.127%0.27329%0.293SS..  trans-71.5130.6174.2-164.6-70.9000109.9T61 D62 R65H59-T61 PolarHBondContact CE1-OG1 2.92Å; H59-T61 PolarHBondContact ND1-N 3.45Å; H59-T61 PolarHBondContact ND1-OG1 3.4Å; H59-T61 PolarHBondContact O-N 3.46Å; H59-D62 HydrophobicContact CB-CB 4.29Å; H59-D62 PolarHBondContact ND1-N 2.89Å; H59-D62 VanDerWaalsContact ND1-N 3.12Å; H59-R65 HydrophobicContact CB-CB 3.67Å; H59-R65 PolarHBondContact N-O 3.36Å
60P92Very high94.9Very high125 Ų12554.9 Ų54.981%0.81230%0.297SS*.SBendtrans-68.8-34.8-171.624.2-34.1000113.7
61T93.4Very high94.7Very high124 Ų12453.8 Ų53.876%0.76130%0.301SS*.SBendtrans-104.8-39.5-176.5530000114.3H59 S63H59-T61 PolarHBondContact CE1-OG1 2.92Å; H59-T61 PolarHBondContact ND1-N 3.45Å; H59-T61 PolarHBondContact ND1-OG1 3.4Å; H59-T61 PolarHBondContact O-N 3.46Å; T61-S63 PolarHBondContact O-N 2.94Å
62D95.2Very high94.4Very high36 Ų3658.2 Ų58.219%0.19335%0.346CS..  trans-79.3110175.7-169.1-36.5000111.4H59 T64 R65 R86H59-D62 HydrophobicContact CB-CB 4.29Å; H59-D62 PolarHBondContact ND1-N 2.89Å; H59-D62 VanDerWaalsContact ND1-N 3.12Å; D62-T64 PolarHBondContact O-N 3.46Å; D62-T64 WeakPolarHBondContact OD1-CA 3.48Å; D62-T64 WeakPolarHBondContact OD1-CB 3.21Å; D62-T64 PolarHBondContact OD1-N 3.14Å; D62-T64 PolarHBondContact OD1-OG1 3.06Å; D62-R65 HydrophobicContact CB-CB 4.12Å; D62-R65 HydrophobicContact CB-CG 4.05Å; D62-R65 PolarHBondContact O-N 3.18Å; D62-R65 PolarHBondContact OD1-N 3Å; D62-R65 VanDerWaalsContact OD2-CD 3.25Å; D62-R65 WeakPolarHBondContact OD2-CD 3.48Å; D62-R65 WeakPolarHBondContact OD2-CG 3.34Å; D62-R65 IonicContact OD2-CZ 3.47Å; D62-R65 IonicContact OD2-NE 2.86Å; D62-R65 PolarHBondContact OD2-NE 3.28Å; D62-R65 IonicContact OD2-NH2 3.38Å; D62-R86 PolarHBondContact O-NH1 3.37Å
63S95.8Very high94.4Very high61 Ų6163.7 Ų63.743%0.42737%0.367SS..THydrogen-bonded Turntrans-69.70.2-179.265.60000114.6T61 A83 R86T61-S63 PolarHBondContact O-N 2.94Å; S63-A83 WeakPolarHBondContact O-CA 3.44Å; S63-R86 VanDerWaalsContact C-CZ 3.44Å; S63-R86 WeakPolarHBondContact O-CD 3.41Å; S63-R86 PolarHBondContact O-NE 3.45Å; S63-R86 PolarHBondContact O-NH1 2.86Å
64T97.1Very high94.3Very high14 Ų1462.8 Ų62.89%0.08636%0.357CS..THydrogen-bonded Turntrans-117.3-12.4-178.568.50000113.8D62 R79 A80D62-T64 PolarHBondContact O-N 3.46Å; D62-T64 WeakPolarHBondContact OD1-CA 3.48Å; D62-T64 WeakPolarHBondContact OD1-CB 3.21Å; D62-T64 PolarHBondContact OD1-N 3.14Å; D62-T64 PolarHBondContact OD1-OG1 3.06Å; T64-R79 CarbonylContact O-C 3.59Å; T64-R79 VanDerWaalsContact O-CA 3.32Å; T64-R79 WeakPolarHBondContact O-CA 3.33Å; T64-R79 WeakPolarHBondContact OG1-CG 3.31Å; T64-R79 PolarHBondContact OG1-NE 2.93Å; T64-R79 VanDerWaalsContact OG1-NE 3.15Å; T64-A80 PolarHBondContact O-N 2.97Å
65R97.2Very high94.4Very high90 Ų9066.2 Ų66.234%0.3437%0.373SS..EExtended strand (participates in β ladder)trans-98.1143.1-175.9-70.2-178.4-160.1-164.62.8113.6H59 D62 R79H59-R65 HydrophobicContact CB-CB 3.67Å; H59-R65 PolarHBondContact N-O 3.36Å; D62-R65 HydrophobicContact CB-CB 4.12Å; D62-R65 HydrophobicContact CB-CG 4.05Å; D62-R65 PolarHBondContact O-N 3.18Å; D62-R65 PolarHBondContact OD1-N 3Å; D62-R65 VanDerWaalsContact OD2-CD 3.25Å; D62-R65 WeakPolarHBondContact OD2-CD 3.48Å; D62-R65 WeakPolarHBondContact OD2-CG 3.34Å; D62-R65 IonicContact OD2-CZ 3.47Å; D62-R65 IonicContact OD2-NE 2.86Å; D62-R65 PolarHBondContact OD2-NE 3.28Å; D62-R65 IonicContact OD2-NH2 3.38Å; R65-R79 HydrophobicContact CG-CB 4.25Å; R65-R79 HydrophobicContact CG-CG 4.36Å
66L97.1Very high94.5Very high2 Ų263 Ų631%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-148.4161.3168.370.8100.1000110.3K57 L68 V78 R86 L90 L93K57-L66 CarbonylContact O-C 3.47Å; K57-L66 VanDerWaalsContact O-CA 3.29Å; K57-L66 WeakPolarHBondContact O-CA 3.14Å; L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 3.91Å; L66-V78 HydrophobicContact CD1-CG2 3.33Å; L66-V78 HydrophobicContact CD2-CG2 4.19Å; L66-V78 HydrophobicContact CG-CG2 3.48Å; L66-V78 VanDerWaalsContact CG-CG2 3.48Å; L66-V78 PolarHBondContact N-O 3.27Å; L66-V78 PolarHBondContact O-N 2.85Å; L66-R86 HydrophobicContact CD2-CG 3.93Å; L66-L90 HydrophobicContact CB-CD2 4.49Å; L66-L90 HydrophobicContact CD2-CD2 4.33Å; L66-L90 HydrophobicContact CD2-CG 4.48Å; L66-L93 HydrophobicContact CD1-CD1 4.33Å
67E97.3Very high94.5Very high50 Ų5065.4 Ų65.423%0.23436%0.363CS..EExtended strand (participates in β ladder)trans-126.5139178.7-57.3176.6-161.400110.4I56 K57 I69 H75 F76 Y77I56-E67 WeakPolarHBondContact CA-O 3.48Å; K57-E67 HydrophobicContact CB-CB 4.27Å; K57-E67 PolarHBondContact N-O 3.1Å; K57-E67 PolarHBondContact O-N 3.5Å; E67-I69 HydrophobicContact CB-CD1 4.39Å; E67-I69 HydrophobicContact CB-CG1 4.49Å; E67-H75 IonicContact OE2-CE1 2.61Å; E67-H75 PolarHBondContact OE2-CE1 3.12Å; E67-H75 IonicContact OE2-NE2 3.24Å; E67-H75 PolarHBondContact OE2-NE2 2.86Å; E67-F76 CarbonylContact C-O 3.55Å; E67-F76 VanDerWaalsContact CA-O 3.3Å; E67-F76 WeakPolarHBondContact CA-O 3.4Å; E67-Y77 HydrophobicContact CG-CD1 3.72Å; E67-Y77 HydrophobicContact CG-CE1 4.13Å
68L96.8Very high94.6Very high0 Ų059.8 Ų59.80%034%0.338CS..EExtended strand (participates in β ladder)trans-114.1117174.1-53.8178000108.4I32 I49 I56 L66 H75 F76 L93I32-L68 HydrophobicContact CD1-CD1 4.05Å; I32-L68 HydrophobicContact CG2-CD1 3.98Å; I49-L68 HydrophobicContact CD1-CB 3.9Å; I56-L68 HydrophobicContact CB-CD2 4.44Å; I56-L68 HydrophobicContact CG1-CD2 3.98Å; I56-L68 HydrophobicContact CG2-CD2 4.23Å; L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 3.91Å; L68-H75 WeakPolarHBondContact O-CA 3.4Å; L68-F76 HydrophobicContact CB-CB 4.22Å; L68-F76 PolarHBondContact N-O 2.91Å; L68-F76 PolarHBondContact O-N 3.02Å; L68-L93 HydrophobicContact CD2-CD1 4.06Å
69I95.9Very high94.6Very high23 Ų2360.8 Ų60.812%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-121124.8-171.1-62.6156.3000109.1C54 D55 K57 E67 H75C54-I69 CarbonylContact C-O 3.44Å; C54-I69 WeakPolarHBondContact CA-O 3.39Å; C54-I69 PolarHBondContact SG-N 3.19Å; D55-I69 HydrophobicContact CB-CB 4.47Å; D55-I69 PolarHBondContact N-O 3.35Å; D55-I69 PolarHBondContact O-N 3.44Å; K57-I69 HydrophobicContact CD-CD1 3.5Å; K57-I69 VanDerWaalsContact CD-CD1 3.5Å; K57-I69 HydrophobicContact CG-CD1 3.92Å; E67-I69 HydrophobicContact CB-CD1 4.39Å; E67-I69 HydrophobicContact CB-CG1 4.49Å; I69-H75 WeakPolarHBondContact CG1-CD2 3.41Å; I69-H75 WeakPolarHBondContact CG1-NE2 3.4Å
70I94.3Very high94.7Very high19 Ų1958 Ų5810%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-102.9111158.8-54179.6000106.3I49 V53 G72 E73 Q74I49-I70 HydrophobicContact CB-CD1 4.2Å; I49-I70 HydrophobicContact CD1-CG1 4.47Å; I49-I70 HydrophobicContact CG1-CD1 3.98Å; I49-I70 HydrophobicContact CG1-CG1 4.34Å; I49-I70 HydrophobicContact CG2-CD1 3.87Å; I49-I70 HydrophobicContact CG2-CG1 3.87Å; V53-I70 HydrophobicContact CG2-CD1 4.48Å; V53-I70 HydrophobicContact CG2-CG2 4.42Å; I70-G72 PolarHBondContact O-N 2.94Å; I70-E73 HydrophobicContact CB-CB 4.15Å; I70-E73 HydrophobicContact CG2-CB 3.87Å; I70-E73 HydrophobicContact CG2-CG 4.18Å; I70-E73 PolarHBondContact O-N 3.03Å; I70-E73 VanDerWaalsContact O-N 3.08Å; I70-Q74 HydrophobicContact CB-CB 4.44Å; I70-Q74 HydrophobicContact CD1-CB 4.29Å; I70-Q74 HydrophobicContact CG1-CB 4.5Å; I70-Q74 PolarHBondContact N-O 2.97Å; I70-Q74 PolarHBondContact O-N 3.27Å
71P89.6Confident95Very high88 Ų8856 Ų5657%0.57131%0.306SS*.THydrogen-bonded Turntrans-52.5123.7-178.5-26.834.7000112E73P71-E73 VanDerWaalsContact C-N 3.29Å; P71-E73 PolarHBondContact O-N 3.44Å
72G86.8Confident95.1Very high92 Ų9253.3 Ų53.395%0.94829%0.288SS*.THydrogen-bonded Turntrans79.3-0.8177.300000116.1I70I70-G72 PolarHBondContact O-N 2.94Å
73E90Very high95.2Very high163 Ų16353.6 Ų53.676%0.76230%0.295SS*.THydrogen-bonded Turntrans-126.4-67.1-176.3-64.4-173.8175.500113.1I70 P71I70-E73 HydrophobicContact CB-CB 4.15Å; I70-E73 HydrophobicContact CG2-CB 3.87Å; I70-E73 HydrophobicContact CG2-CG 4.18Å; I70-E73 PolarHBondContact O-N 3.03Å; I70-E73 VanDerWaalsContact O-N 3.08Å; P71-E73 VanDerWaalsContact C-N 3.29Å; P71-E73 PolarHBondContact O-N 3.44Å
74Q89.6Confident95.2Very high62 Ų6253.7 Ų53.729%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-138.1141.1-166.3-163.5164.2-84.400111.5S48 I49 I70 F76S48-Q74 PolarHBondContact O-NE2 2.72Å; I49-Q74 HydrophobicContact CD1-CG 4.35Å; I49-Q74 HydrophobicContact CG1-CG 4.47Å; I70-Q74 HydrophobicContact CB-CB 4.44Å; I70-Q74 HydrophobicContact CD1-CB 4.29Å; I70-Q74 HydrophobicContact CG1-CB 4.5Å; I70-Q74 PolarHBondContact N-O 2.97Å; I70-Q74 PolarHBondContact O-N 3.27Å; Q74-F76 HydrophobicContact CG-CD1 3.9Å; Q74-F76 HydrophobicContact CG-CE1 3.45Å; Q74-F76 VanDerWaalsContact CG-CE1 3.45Å; Q74-F76 HydrophobicContact CG-CZ 4.08Å
75H94.6Very high95.3Very high72 Ų7255 Ų5533%0.33331%0.305SS..EExtended strand (participates in β ladder)trans-137.1114.9177.8-165177.6000109.4E67 L68 I69 Y77E67-H75 IonicContact OE2-CE1 2.61Å; E67-H75 PolarHBondContact OE2-CE1 3.12Å; E67-H75 IonicContact OE2-NE2 3.24Å; E67-H75 PolarHBondContact OE2-NE2 2.86Å; L68-H75 WeakPolarHBondContact O-CA 3.4Å; I69-H75 WeakPolarHBondContact CG1-CD2 3.41Å; I69-H75 WeakPolarHBondContact CG1-NE2 3.4Å; H75-Y77 AromaticContact CE1-CE1 3.62Å; H75-Y77 AromaticContact CE1-CE2 3.82Å; H75-Y77 AromaticContact CE1-CZ 3.19Å; H75-Y77 PolarHBondContact CE1-OH 3.22Å; H75-Y77 AromaticContact CG-CE2 3.92Å; H75-Y77 AromaticContact ND1-CE2 3.7Å; H75-Y77 AromaticContact ND1-CZ 3.48Å; H75-Y77 PolarHBondContact ND1-OH 3.47Å; H75-Y77 VanDerWaalsContact ND1-OH 3.17Å; H75-Y77 AromaticContact NE2-CE1 3.69Å; H75-Y77 AromaticContact NE2-CZ 3.61Å
76F96.4Very high95.3Very high7 Ų752.6 Ų52.63%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-104.3118173.1-65.1-11000109.7F25 Y34 I49 E67 L68 Q74 V78F25-F76 HydrophobicContact CE1-CD2 4.26Å; F25-F76 HydrophobicContact CE1-CE2 4.49Å; Y34-F76 AromaticContact CD1-CE2 3.82Å; Y34-F76 HydrophobicContact CD1-CE2 3.82Å; Y34-F76 AromaticContact CD1-CZ 3.75Å; Y34-F76 HydrophobicContact CD1-CZ 3.75Å; Y34-F76 HydrophobicContact CE1-CE1 4.09Å; Y34-F76 HydrophobicContact CE1-CE2 4.04Å; Y34-F76 AromaticContact CE1-CZ 3.47Å; Y34-F76 HydrophobicContact CE1-CZ 3.47Å; Y34-F76 VanDerWaalsContact CE1-CZ 3.47Å; I49-F76 HydrophobicContact CD1-CB 4.36Å; I49-F76 HydrophobicContact CD1-CD1 4.23Å; I49-F76 HydrophobicContact CD1-CD2 3.37Å; I49-F76 HydrophobicContact CD1-CE1 4.43Å; I49-F76 HydrophobicContact CD1-CE2 3.61Å; I49-F76 HydrophobicContact CD1-CG 3.72Å; I49-F76 HydrophobicContact CD1-CZ 4.15Å; I49-F76 HydrophobicContact CG1-CD2 4.03Å; I49-F76 HydrophobicContact CG1-CE2 3.72Å; I49-F76 HydrophobicContact CG1-CZ 4.15Å; E67-F76 CarbonylContact C-O 3.55Å; E67-F76 VanDerWaalsContact CA-O 3.3Å; E67-F76 WeakPolarHBondContact CA-O 3.4Å; L68-F76 HydrophobicContact CB-CB 4.22Å; L68-F76 PolarHBondContact N-O 2.91Å; L68-F76 PolarHBondContact O-N 3.02Å; Q74-F76 HydrophobicContact CG-CD1 3.9Å; Q74-F76 HydrophobicContact CG-CE1 3.45Å; Q74-F76 VanDerWaalsContact CG-CE1 3.45Å; Q74-F76 HydrophobicContact CG-CZ 4.08Å; F76-V78 HydrophobicContact CB-CG1 4.03Å
77Y97.1Very high95.3Very high97 Ų9757.2 Ų57.238%0.3832%0.317SS..EExtended strand (participates in β ladder)trans-88.6118162.4-57.5-91.5000107.4W13 W20 E67 H75W13-Y77 PolarHBondContact N-O 3.48Å; W20-Y77 WeakPolarHBondContact CZ3-O 3.17Å; E67-Y77 HydrophobicContact CG-CD1 3.72Å; E67-Y77 HydrophobicContact CG-CE1 4.13Å; H75-Y77 AromaticContact CE1-CE1 3.62Å; H75-Y77 AromaticContact CE1-CE2 3.82Å; H75-Y77 AromaticContact CE1-CZ 3.19Å; H75-Y77 PolarHBondContact CE1-OH 3.22Å; H75-Y77 AromaticContact CG-CE2 3.92Å; H75-Y77 AromaticContact ND1-CE2 3.7Å; H75-Y77 AromaticContact ND1-CZ 3.48Å; H75-Y77 PolarHBondContact ND1-OH 3.47Å; H75-Y77 VanDerWaalsContact ND1-OH 3.17Å; H75-Y77 AromaticContact NE2-CE1 3.69Å; H75-Y77 AromaticContact NE2-CZ 3.61Å
78V97.8Very high95.2Very high1 Ų161.9 Ų61.91%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-128.9149.9-178.5-56.50000111.4L10 Y11 K12 F25 L66 F76L10-V78 HydrophobicContact CD1-CB 4.43Å; L10-V78 HydrophobicContact CD1-CG2 4.3Å; Y11-V78 CarbonylContact O-C 3.53Å; Y11-V78 VanDerWaalsContact O-CA 3.26Å; Y11-V78 WeakPolarHBondContact O-CA 3.33Å; K12-V78 HydrophobicContact CG-CG1 4.47Å; F25-V78 HydrophobicContact CE1-CG1 4.26Å; F25-V78 HydrophobicContact CE2-CG1 4.43Å; F25-V78 HydrophobicContact CZ-CG1 3.74Å; L66-V78 HydrophobicContact CD1-CG2 3.33Å; L66-V78 HydrophobicContact CD2-CG2 4.19Å; L66-V78 HydrophobicContact CG-CG2 3.48Å; L66-V78 VanDerWaalsContact CG-CG2 3.48Å; L66-V78 PolarHBondContact N-O 3.27Å; L66-V78 PolarHBondContact O-N 2.85Å; F76-V78 HydrophobicContact CB-CG1 4.03Å
79R97.7Very high95.2Very high92 Ų9261.9 Ų61.935%0.34733%0.333SS..EExtended strand (participates in β ladder)trans-133.4129.5179.7171.9-179.9179.4-143.5-4.6109Y11 W20 T64 R65Y11-R79 PolarHBondContact N-O 2.77Å; Y11-R79 PolarHBondContact O-N 3.31Å; W20-R79 HydrophobicContact CE3-CB 3.98Å; W20-R79 HydrophobicContact CH2-CB 4.13Å; W20-R79 HydrophobicContact CZ3-CB 3.74Å; T64-R79 CarbonylContact O-C 3.59Å; T64-R79 VanDerWaalsContact O-CA 3.32Å; T64-R79 WeakPolarHBondContact O-CA 3.33Å; T64-R79 WeakPolarHBondContact OG1-CG 3.31Å; T64-R79 PolarHBondContact OG1-NE 2.93Å; T64-R79 VanDerWaalsContact OG1-NE 3.15Å; R65-R79 HydrophobicContact CG-CB 4.25Å; R65-R79 HydrophobicContact CG-CG 4.36Å
80A97.9Very high95.2Very high0 Ų062.1 Ų62.10%033%0.334CS..  trans-82162.4173.200000111.5L10 T64 N82 E85 R86L10-A80 HydrophobicContact CD2-CB 3.81Å; T64-A80 PolarHBondContact O-N 2.97Å; A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.38Å; A80-E85 HydrophobicContact CB-CB 3.8Å; A80-R86 HydrophobicContact CB-CB 3.79Å
81V96.4Very high95.3Very high82 Ų8264.7 Ų64.750%0.49735%0.35SS..SBendtrans-61.2-37.5178.9-177.10000111.3Y11 E85Y11-V81 HydrophobicContact CE2-CG2 4.22Å; V81-E85 HydrophobicContact CB-CG 4.26Å
82N96.7Very high95.4Very high69 Ų6960.9 Ų60.937%0.36933%0.326SS..SBendtrans-152.7178.1178.363.151.7000110.8A80 A84 E85 R86A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.38Å; N82-A84 VanDerWaalsContact C-N 3.33Å; N82-A84 PolarHBondContact O-N 3.08Å; N82-A84 WeakPolarHBondContact OD1-CA 3.43Å; N82-A84 WeakPolarHBondContact OD1-CB 3.18Å; N82-A84 PolarHBondContact OD1-N 3.05Å; N82-E85 PolarHBondContact O-N 3.06Å; N82-E85 PolarHBondContact OD1-N 3.41Å; N82-R86 PolarHBondContact O-N 2.75Å
83A96.9Very high95.8Very high42 Ų4256.5 Ų56.535%0.34728%0.281SS..Hα-helixtrans-66.8-31.7-177.900000113.7S63 R86 Q87S63-A83 WeakPolarHBondContact O-CA 3.44Å; A83-R86 PolarHBondContact O-N 2.92Å; A83-Q87 PolarHBondContact O-N 3.47Å
84A97Very high96Very high63 Ų6350.2 Ų50.252%0.52126%0.26SS..Hα-helixtrans-68.3-46.8176.900000110.7N82 R86 Q87 R88N82-A84 VanDerWaalsContact C-N 3.33Å; N82-A84 PolarHBondContact O-N 3.08Å; N82-A84 WeakPolarHBondContact OD1-CA 3.43Å; N82-A84 WeakPolarHBondContact OD1-CB 3.18Å; N82-A84 PolarHBondContact OD1-N 3.05Å; A84-R86 VanDerWaalsContact C-N 3.31Å; A84-R86 PolarHBondContact O-N 3.45Å; A84-Q87 WeakPolarHBondContact O-CB 3.3Å; A84-Q87 PolarHBondContact O-N 2.83Å; A84-R88 WeakPolarHBondContact O-CG 3.06Å; A84-R88 PolarHBondContact O-N 3.44Å
85E97.1Very high96Very high42 Ų4250.8 Ų50.820%0.19627%0.27CS..Hα-helixtrans-56.5-46.4172.7-71.6-45120.800111.5A80 V81 N82 Q87 R88 W89A80-E85 HydrophobicContact CB-CB 3.8Å; V81-E85 HydrophobicContact CB-CG 4.26Å; N82-E85 PolarHBondContact O-N 3.06Å; N82-E85 PolarHBondContact OD1-N 3.41Å; E85-Q87 PolarHBondContact O-N 3.02Å; E85-R88 PolarHBondContact O-N 3.33Å; E85-R88 IonicContact OE1-CZ 3.83Å; E85-R88 IonicContact OE1-NE 3.65Å; E85-R88 PolarHBondContact OE1-NE 3.24Å; E85-R88 IonicContact OE1-NH2 3.12Å; E85-R88 PolarHBondContact OE1-NH2 3.46Å; E85-R88 IonicContact OE2-CZ 2.97Å; E85-R88 IonicContact OE2-NE 3.86Å; E85-R88 PolarHBondContact OE2-NE 3.47Å; E85-R88 IonicContact OE2-NH2 2.75Å; E85-R88 PolarHBondContact OE2-NH2 3.2Å; E85-W89 VanDerWaalsContact O-CD1 3.24Å; E85-W89 PolarHBondContact O-N 3.21Å
86R97.3Very high95.8Very high38 Ų3848.4 Ų48.414%0.14326%0.262CS..Hα-helixtrans-55.4-44.8175.9-169.3-163.161.6-179-6.3110.7D62 S63 L66 A80 N82 A83 A84 W89 L90D62-R86 PolarHBondContact O-NH1 3.37Å; S63-R86 VanDerWaalsContact C-CZ 3.44Å; S63-R86 WeakPolarHBondContact O-CD 3.41Å; S63-R86 PolarHBondContact O-NE 3.45Å; S63-R86 PolarHBondContact O-NH1 2.86Å; L66-R86 HydrophobicContact CD2-CG 3.93Å; A80-R86 HydrophobicContact CB-CB 3.79Å; N82-R86 PolarHBondContact O-N 2.75Å; A83-R86 PolarHBondContact O-N 2.92Å; A84-R86 VanDerWaalsContact C-N 3.31Å; A84-R86 PolarHBondContact O-N 3.45Å; R86-W89 PolarHBondContact O-N 3Å; R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 HydrophobicContact CG-CG 4.46Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 3.12Å
87Q97.3Very high95.5Very high99 Ų9951.4 Ų51.446%0.46328%0.275SS..Hα-helixtrans-64.4-43.4179.9-171.861.223.400111.9A83 A84 E85 W89 L90 V91A83-Q87 PolarHBondContact O-N 3.47Å; A84-Q87 WeakPolarHBondContact O-CB 3.3Å; A84-Q87 PolarHBondContact O-N 2.83Å; E85-Q87 PolarHBondContact O-N 3.02Å; Q87-W89 VanDerWaalsContact C-N 3.31Å; Q87-W89 PolarHBondContact O-N 3.5Å; Q87-L90 PolarHBondContact O-N 3.43Å; Q87-V91 VanDerWaalsContact O-CG2 3.31Å; Q87-V91 WeakPolarHBondContact O-CG2 3.48Å; Q87-V91 PolarHBondContact O-N 3.21Å
88R96.2Very high95Very high148 Ų14850.2 Ų50.256%0.55829%0.286SS*.Hα-helixtrans-56.7-47.3174.6-64.4-161.5-65.1-176.112.3111M6 A84 E85 L90 V91 A92M6-R88 HydrophobicContact CE-CB 3.61Å; M6-R88 HydrophobicContact SD-CB 4.46Å; A84-R88 WeakPolarHBondContact O-CG 3.06Å; A84-R88 PolarHBondContact O-N 3.44Å; E85-R88 PolarHBondContact O-N 3.33Å; E85-R88 IonicContact OE1-CZ 3.83Å; E85-R88 IonicContact OE1-NE 3.65Å; E85-R88 PolarHBondContact OE1-NE 3.24Å; E85-R88 IonicContact OE1-NH2 3.12Å; E85-R88 PolarHBondContact OE1-NH2 3.46Å; E85-R88 IonicContact OE2-CZ 2.97Å; E85-R88 IonicContact OE2-NE 3.86Å; E85-R88 PolarHBondContact OE2-NE 3.47Å; E85-R88 IonicContact OE2-NH2 2.75Å; E85-R88 PolarHBondContact OE2-NH2 3.2Å; R88-L90 PolarHBondContact O-N 2.89Å; R88-V91 PolarHBondContact O-N 3.39Å; R88-A92 PolarHBondContact O-N 3.13Å
89W96.9Very high93.5Very high1 Ų151.5 Ų51.50%0.00430%0.299CS..Hα-helixtrans-61.3-44.7176.7-82.2105000112.3M6 L10 F25 L27 I32 E85 R86 Q87 V91 A92 L93M6-W89 HydrophobicContact CB-CZ3 4.36Å; M6-W89 HydrophobicContact CE-CB 4.14Å; M6-W89 VanDerWaalsContact CE-CD1 3.41Å; M6-W89 HydrophobicContact CE-CD2 3.42Å; M6-W89 VanDerWaalsContact CE-CD2 3.42Å; M6-W89 VanDerWaalsContact CE-CE2 3.48Å; M6-W89 HydrophobicContact CE-CE3 4.08Å; M6-W89 HydrophobicContact CE-CG 3.42Å; M6-W89 VanDerWaalsContact CE-CG 3.42Å; M6-W89 HydrophobicContact CE-CZ2 4.18Å; M6-W89 HydrophobicContact CG-CD2 4.33Å; M6-W89 HydrophobicContact CG-CE3 4.14Å; M6-W89 HydrophobicContact CG-CH2 4.08Å; M6-W89 HydrophobicContact CG-CZ2 4.28Å; M6-W89 HydrophobicContact CG-CZ3 4.01Å; M6-W89 WeakPolarHBondContact O-CH2 3.31Å; M6-W89 VanDerWaalsContact SD-CA 3.58Å; M6-W89 HydrophobicContact SD-CB 4.37Å; M6-W89 HydrophobicContact SD-CD2 3.65Å; M6-W89 HydrophobicContact SD-CE3 3.66Å; M6-W89 HydrophobicContact SD-CG 3.98Å; M6-W89 HydrophobicContact SD-CZ3 4.15Å; L10-W89 HydrophobicContact CD1-CD2 3.87Å; L10-W89 HydrophobicContact CD1-CE3 4.3Å; L10-W89 HydrophobicContact CD1-CG 4.23Å; L10-W89 HydrophobicContact CD1-CZ2 4.15Å; L10-W89 HydrophobicContact CD2-CD2 4.43Å; L10-W89 HydrophobicContact CD2-CG 4.13Å; L10-W89 HydrophobicContact CG-CD2 4.34Å; L10-W89 HydrophobicContact CG-CZ2 4.19Å; F25-W89 HydrophobicContact CB-CH2 3.67Å; F25-W89 HydrophobicContact CB-CZ2 4.02Å; F25-W89 HydrophobicContact CB-CZ3 4.42Å; L27-W89 HydrophobicContact CB-CZ3 4.06Å; I32-W89 HydrophobicContact CD1-CE3 4.28Å; I32-W89 HydrophobicContact CD1-CZ3 3.84Å; E85-W89 VanDerWaalsContact O-CD1 3.24Å; E85-W89 PolarHBondContact O-N 3.21Å; R86-W89 PolarHBondContact O-N 3Å; Q87-W89 VanDerWaalsContact C-N 3.31Å; Q87-W89 PolarHBondContact O-N 3.5Å; W89-V91 VanDerWaalsContact C-N 3.33Å; W89-V91 PolarHBondContact O-N 2.76Å; W89-A92 PolarHBondContact O-N 2.99Å; W89-L93 HydrophobicContact CB-CD1 4.37Å; W89-L93 HydrophobicContact CE3-CD1 4.46Å; W89-L93 HydrophobicContact CE3-CG 4.41Å; W89-L93 WeakPolarHBondContact O-CB 3.37Å; W89-L93 WeakPolarHBondContact O-CD1 3.45Å; W89-L93 WeakPolarHBondContact O-CG 3.41Å; W89-L93 PolarHBondContact O-N 2.9Å
90L96Very high91.6Very high28 Ų2849 Ų4915%0.14729%0.294CS..Hα-helixtrans-62-40.6177.8-73.5171.7000112.6I56 V58 L66 R86 Q87 R88 G94I56-L90 HydrophobicContact CG2-CD2 3.69Å; V58-L90 HydrophobicContact CG1-CD1 4.4Å; V58-L90 HydrophobicContact CG2-CD1 3.83Å; V58-L90 HydrophobicContact CG2-CD2 3.68Å; V58-L90 HydrophobicContact CG2-CG 4.44Å; L66-L90 HydrophobicContact CB-CD2 4.49Å; L66-L90 HydrophobicContact CD2-CD2 4.33Å; L66-L90 HydrophobicContact CD2-CG 4.48Å; R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 HydrophobicContact CG-CG 4.46Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 3.12Å; Q87-L90 PolarHBondContact O-N 3.43Å; R88-L90 PolarHBondContact O-N 2.89Å; L90-G94 PolarHBondContact O-N 2.77Å
91V94.9Very high89.4Confident72 Ų7256.7 Ų56.744%0.43633%0.334SS..Hα-helixtrans-63.6-49.11771710000110.3Q87 R88 W89 S95Q87-V91 VanDerWaalsContact O-CG2 3.31Å; Q87-V91 WeakPolarHBondContact O-CG2 3.48Å; Q87-V91 PolarHBondContact O-N 3.21Å; R88-V91 PolarHBondContact O-N 3.39Å; W89-V91 VanDerWaalsContact C-N 3.33Å; W89-V91 PolarHBondContact O-N 2.76Å; V91-S95 VanDerWaalsContact O-CB 3.25Å; V91-S95 WeakPolarHBondContact O-CB 3.26Å; V91-S95 PolarHBondContact O-N 2.87Å; V91-S95 PolarHBondContact O-OG 3.5Å
92A93.6Very high87.1Confident8 Ų859.1 Ų59.17%0.06634%0.34CS..Hα-helixtrans-65.1-46.3-179.800000111.9M6 L27 R88 W89 S95 S96M6-A92 HydrophobicContact CB-CB 3.88Å; M6-A92 HydrophobicContact CG-CB 4.24Å; M6-A92 HydrophobicContact SD-CB 3.39Å; M6-A92 WeakPolarHBondContact SD-CB 3.26Å; L27-A92 HydrophobicContact CD2-CB 3.79Å; R88-A92 PolarHBondContact O-N 3.13Å; W89-A92 PolarHBondContact O-N 2.99Å; A92-S95 PolarHBondContact O-N 2.76Å; A92-S96 WeakPolarHBondContact O-CB 3.41Å; A92-S96 PolarHBondContact O-N 2.64Å
93L94.8Very high84.9Confident1 Ų157.9 Ų57.91%0.00534%0.337CS..Hα-helixtrans-63.1-43.7178.2-69.4167.2000112L27 I32 M51 I56 L66 L68 W89 S96 K97L27-L93 HydrophobicContact CD1-CD2 4.14Å; L27-L93 HydrophobicContact CD2-CD2 4Å; L27-L93 HydrophobicContact CD2-CG 4.35Å; I32-L93 HydrophobicContact CB-CD2 4.29Å; I32-L93 HydrophobicContact CD1-CD2 3.76Å; I32-L93 HydrophobicContact CG2-CD2 4.41Å; M51-L93 HydrophobicContact CE-CB 3.74Å; M51-L93 HydrophobicContact CE-CD2 3.42Å; M51-L93 VanDerWaalsContact CE-CD2 3.42Å; M51-L93 HydrophobicContact CE-CG 4.16Å; M51-L93 HydrophobicContact CG-CD2 4.4Å; M51-L93 HydrophobicContact SD-CD2 3.47Å; M51-L93 WeakPolarHBondContact SD-CD2 3.39Å; I56-L93 HydrophobicContact CD1-CB 3.72Å; L66-L93 HydrophobicContact CD1-CD1 4.33Å; L68-L93 HydrophobicContact CD2-CD1 4.06Å; W89-L93 HydrophobicContact CB-CD1 4.37Å; W89-L93 HydrophobicContact CE3-CD1 4.46Å; W89-L93 HydrophobicContact CE3-CG 4.41Å; W89-L93 WeakPolarHBondContact O-CB 3.37Å; W89-L93 WeakPolarHBondContact O-CD1 3.45Å; W89-L93 WeakPolarHBondContact O-CG 3.41Å; W89-L93 PolarHBondContact O-N 2.9Å; L93-S96 PolarHBondContact O-N 3.28Å; L93-K97 WeakPolarHBondContact O-CB 3.37Å; L93-K97 PolarHBondContact O-N 3.24Å
94G93.3Very high82.8Confident31 Ų3162.9 Ų62.932%0.3235%0.353SS..Hα-helixtrans-64.3-44.4176.800000112.1L90 S96 K97 A98L90-G94 PolarHBondContact O-N 2.77Å; G94-S96 PolarHBondContact O-N 3.06Å; G94-K97 PolarHBondContact O-N 3.4Å; G94-A98 WeakPolarHBondContact O-CB 3.35Å; G94-A98 PolarHBondContact O-N 2.92Å
95S90.4Very high80.6Confident73 Ų7368.1 Ų68.151%0.5136%0.364SS..Hα-helixtrans-63.3-42.2176.8-580000111.5V91 A92 A98 G99V91-S95 VanDerWaalsContact O-CB 3.25Å; V91-S95 WeakPolarHBondContact O-CB 3.26Å; V91-S95 PolarHBondContact O-N 2.87Å; V91-S95 PolarHBondContact O-OG 3.5Å; A92-S95 PolarHBondContact O-N 2.76Å; S95-A98 PolarHBondContact O-N 3.45Å; S95-G99 PolarHBondContact O-N 2.98Å
96S89.9Confident78.5Confident22 Ų2270 Ų7015%0.15437%0.372CS..Hα-helixtrans-64.3-44.1176.8-172.90000112.2G30 A92 L93 G94 A98 G99 T100G30-S96 VanDerWaalsContact CA-OG 3.28Å; G30-S96 WeakPolarHBondContact CA-OG 3.3Å; A92-S96 WeakPolarHBondContact O-CB 3.41Å; A92-S96 PolarHBondContact O-N 2.64Å; L93-S96 PolarHBondContact O-N 3.28Å; G94-S96 PolarHBondContact O-N 3.06Å; S96-A98 PolarHBondContact O-N 3.47Å; S96-G99 PolarHBondContact O-N 3.18Å; S96-T100 PolarHBondContact O-N 3.09Å; S96-T100 PolarHBondContact O-OG1 2.94Å
97K90Very high76.5Confident70 Ų7073.8 Ų73.830%0.30439%0.386SS..Hα-helixtrans-60.8-42.6174.6-178169.6-178175.90111.8M51 C54 D55 I56 L93 G94M51-K97 HydrophobicContact CB-CB 4.33Å; M51-K97 WeakPolarHBondContact O-CG 3.37Å; C54-K97 WeakPolarHBondContact O-CD 3.07Å; C54-K97 WeakPolarHBondContact O-CE 3.44Å; C54-K97 PolarHBondContact O-NZ 3.48Å; D55-K97 IonicContact OD1-NZ 2.65Å; D55-K97 PolarHBondContact OD1-NZ 2.81Å; I56-K97 HydrophobicContact CD1-CD 4.49Å; L93-K97 WeakPolarHBondContact O-CB 3.37Å; L93-K97 PolarHBondContact O-N 3.24Å; G94-K97 PolarHBondContact O-N 3.4Å
98A85.9Confident74.8Confident73 Ų7370.1 Ų70.160%0.60338%0.376SS*.Hα-helixtrans-72.6-39.4178.100000113.1G94 S95 S96 T100G94-A98 WeakPolarHBondContact O-CB 3.35Å; G94-A98 PolarHBondContact O-N 2.92Å; S95-A98 PolarHBondContact O-N 3.45Å; S96-A98 PolarHBondContact O-N 3.47Å; A98-T100 VanDerWaalsContact C-N 3.34Å; A98-T100 PolarHBondContact O-N 3.29Å
99G67.4Low73.6Confident28 Ų2865.3 Ų65.329%0.28936%0.364SS..Hα-helixtrans-77.1-11.3-173.600000115.7S95 S96 L101 E102 S103S95-G99 PolarHBondContact O-N 2.98Å; S96-G99 PolarHBondContact O-N 3.18Å; G99-L101 PolarHBondContact O-N 3.43Å; G99-E102 PolarHBondContact O-N 3.47Å; G99-S103 VanDerWaalsContact O-CB 3.3Å; G99-S103 WeakPolarHBondContact O-CB 3.34Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 VanDerWaalsContact O-N 3.09Å; G99-S103 PolarHBondContact O-OG 2.9Å
100T57.4Low72.7Confident38 Ų3868.2 Ų68.223%0.23338%0.38CS..THydrogen-bonded Turntrans-70.8-17.4-178.8-55.10000112.8S96 A98 E102S96-T100 PolarHBondContact O-N 3.09Å; S96-T100 PolarHBondContact O-OG1 2.94Å; A98-T100 VanDerWaalsContact C-N 3.34Å; A98-T100 PolarHBondContact O-N 3.29Å; T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 PolarHBondContact O-N 2.99Å
101L52Low71.9Confident163 Ų16369.6 Ų69.685%0.85339%0.392SS*.THydrogen-bonded Turntrans-71.5-19.7175-83.6163.3000113.6G99G99-L101 PolarHBondContact O-N 3.43Å
102E47.4Very low71.6Confident133 Ų13368 Ų6862%0.62138%0.381SS*.THydrogen-bonded Turntrans-126.8-22.6-176.5-66.1-167.7122.300115.2G99 T100 H104 K105 H106G99-E102 PolarHBondContact O-N 3.47Å; T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 PolarHBondContact O-N 2.99Å; E102-H104 PolarHBondContact O-N 3.15Å; E102-K105 PolarHBondContact O-N 3.23Å; E102-H106 WeakPolarHBondContact O-CB 3.14Å; E102-H106 PolarHBondContact O-N 3.38Å
103S51.2Low71.2Confident42 Ų4272.4 Ų72.429%0.29440%0.398SS..Hα-helixtrans-67.1-37.5-159.8-800000117.4G99 K105 R107G99-S103 VanDerWaalsContact O-CB 3.3Å; G99-S103 WeakPolarHBondContact O-CB 3.34Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 VanDerWaalsContact O-N 3.09Å; G99-S103 PolarHBondContact O-OG 2.9Å; S103-K105 VanDerWaalsContact C-N 3.31Å; S103-K105 PolarHBondContact O-N 2.7Å; S103-R107 WeakPolarHBondContact O-CB 3.39Å; S103-R107 VanDerWaalsContact O-CG 3.3Å; S103-R107 WeakPolarHBondContact O-CG 3.41Å; S103-R107 PolarHBondContact O-N 2.94Å; S103-R107 VanDerWaalsContact O-N 3.14Å
104H53Low70.9Confident148 Ų14876.3 Ų76.369%0.68542%0.422SS*.Hα-helixtrans-72.7-24.6-176.6-76.5-67.4000113.6E102E102-H104 PolarHBondContact O-N 3.15Å
105K50.9Low70.8Confident172 Ų17276.7 Ų76.775%0.74842%0.415SS*.Hα-helixtrans-95.6-31.4176.6-157.9171.6-177.9178.10112E102 S103 S109E102-K105 PolarHBondContact O-N 3.23Å; S103-K105 VanDerWaalsContact C-N 3.31Å; S103-K105 PolarHBondContact O-N 2.7Å; K105-S109 WeakPolarHBondContact O-CB 3.31Å; K105-S109 PolarHBondContact O-N 3.49Å
106H52.8Low70.9Confident81 Ų8177.1 Ų77.138%0.37541%0.41SS..Hα-helixtrans-77.8-38.7-179.1-114.571.1000113.8E102 S109 D110E102-H106 WeakPolarHBondContact O-CB 3.14Å; E102-H106 PolarHBondContact O-N 3.38Å; H106-S109 CarbonylContact O-C 3.59Å; H106-S109 PolarHBondContact O-N 3.34Å; H106-S109 VanDerWaalsContact O-N 3.16Å; H106-D110 IonicContact CD2-OD1 2.77Å; H106-D110 IonicContact CD2-OD2 2.97Å; H106-D110 PolarHBondContact CD2-OD2 2.91Å; H106-D110 IonicContact CG-OD2 3.07Å; H106-D110 WeakPolarHBondContact O-CB 3.08Å; H106-D110 VanDerWaalsContact O-CG 3.23Å; H106-D110 PolarHBondContact O-N 3.46Å
107R55.3Low71.1Confident118 Ų11879.2 Ų79.245%0.44542%0.424SS..Hα-helixtrans-63.5-50.4-174.4-76.9-82-122.5-93.3-16.5113.6M1 S103 S109 C111M1-R107 PolarHBondContact O-NH1 3.05Å; S103-R107 WeakPolarHBondContact O-CB 3.39Å; S103-R107 VanDerWaalsContact O-CG 3.3Å; S103-R107 WeakPolarHBondContact O-CG 3.41Å; S103-R107 PolarHBondContact O-N 2.94Å; S103-R107 VanDerWaalsContact O-N 3.14Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.92Å; R107-C111 WeakPolarHBondContact O-CB 3.19Å; R107-C111 PolarHBondContact O-N 3.38Å
108G61.5Low71.2Confident23 Ų2378.6 Ų78.624%0.23742%0.423CS..Hα-helixtrans-63.5-37.717300000111.4L112G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.14Å
109S71.1Confident71.7Confident46 Ų4675.7 Ų75.732%0.32240%0.397SS..Hα-helixtrans-67.4-42.5-180-172.10000113.3K105 H106 R107 L112 K113K105-S109 WeakPolarHBondContact O-CB 3.31Å; K105-S109 PolarHBondContact O-N 3.49Å; H106-S109 CarbonylContact O-C 3.59Å; H106-S109 PolarHBondContact O-N 3.34Å; H106-S109 VanDerWaalsContact O-N 3.16Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.92Å; S109-L112 PolarHBondContact O-N 3.32Å; S109-K113 WeakPolarHBondContact O-CB 3.29Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 2.97Å; S109-K113 VanDerWaalsContact OG-CE 3.3Å; S109-K113 WeakPolarHBondContact OG-CE 3.37Å
110D76.8Confident72.9Confident63 Ų6382.5 Ų82.534%0.33741%0.414SS..Hα-helixtrans-75.7-38.4-177.7-65.4-27.9000112.5H106 L112 K113 T114H106-D110 IonicContact CD2-OD1 2.77Å; H106-D110 IonicContact CD2-OD2 2.97Å; H106-D110 PolarHBondContact CD2-OD2 2.91Å; H106-D110 IonicContact CG-OD2 3.07Å; H106-D110 WeakPolarHBondContact O-CB 3.08Å; H106-D110 VanDerWaalsContact O-CG 3.23Å; H106-D110 PolarHBondContact O-N 3.46Å; D110-L112 VanDerWaalsContact C-N 3.34Å; D110-K113 PolarHBondContact O-N 3.49Å; D110-K113 IonicContact OD1-NZ 2.86Å; D110-K113 PolarHBondContact OD1-NZ 3.32Å; D110-T114 PolarHBondContact O-N 3.39Å; D110-T114 PolarHBondContact O-OG1 3.36Å
111C81Confident74.7Confident57 Ų5786.3 Ų86.339%0.38543%0.432SS..Hα-helixtrans-61.6-46171.3-170.50000110.4R107 K113 T114 K115 L169R107-C111 WeakPolarHBondContact O-CB 3.19Å; R107-C111 PolarHBondContact O-N 3.38Å; C111-K113 PolarHBondContact O-N 2.81Å; C111-T114 WeakPolarHBondContact O-CB 3.47Å; C111-T114 PolarHBondContact O-N 2.95Å; C111-K115 WeakPolarHBondContact O-CG 3.45Å; C111-K115 PolarHBondContact O-N 3.4Å; C111-L169 HydrophobicContact CB-CD1 4.26Å; C111-L169 VanDerWaalsContact SG-CD1 3.59Å
112L87.1Confident76.7Confident39 Ų3981.1 Ų81.120%0.20440%0.402CS..Hα-helixtrans-63.7-39.3176.6-175.2141.4000112.5G108 S109 D110 T114 K115 M116 L169 A170G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.14Å; S109-L112 PolarHBondContact O-N 3.32Å; D110-L112 VanDerWaalsContact C-N 3.34Å; L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.49Å; L112-K115 PolarHBondContact O-N 3.09Å; L112-M116 HydrophobicContact CD2-CE 4.35Å; L112-M116 HydrophobicContact CD2-CG 3.99Å; L112-M116 HydrophobicContact CG-CG 4.44Å; L112-M116 VanDerWaalsContact O-CB 3.31Å; L112-M116 WeakPolarHBondContact O-CB 3.38Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.31Å; L112-L169 HydrophobicContact CD1-CB 4.36Å; L112-A170 HydrophobicContact CD1-CB 3.74Å
113K86.5Confident79Confident100 Ų10077.7 Ų77.744%0.43539%0.392SS..Hα-helixtrans-59.5-42.7173.6-75.6167.7-155.9160.30111.7S109 D110 C111 M116 S117S109-K113 WeakPolarHBondContact O-CB 3.29Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 2.97Å; S109-K113 VanDerWaalsContact OG-CE 3.3Å; S109-K113 WeakPolarHBondContact OG-CE 3.37Å; D110-K113 PolarHBondContact O-N 3.49Å; D110-K113 IonicContact OD1-NZ 2.86Å; D110-K113 PolarHBondContact OD1-NZ 3.32Å; C111-K113 PolarHBondContact O-N 2.81Å; K113-M116 PolarHBondContact O-N 3.01Å; K113-S117 PolarHBondContact O-N 3.42Å; K113-S117 VanDerWaalsContact O-N 3.08Å; K113-S117 PolarHBondContact O-OG 2.83Å
114T88.8Confident81Confident82 Ų8280.8 Ų80.850%0.50341%0.405SS..Hα-helixtrans-64.3-48.1178.7-54.60000110.6D110 C111 L112 M116 S117 E118D110-T114 PolarHBondContact O-N 3.39Å; D110-T114 PolarHBondContact O-OG1 3.36Å; C111-T114 WeakPolarHBondContact O-CB 3.47Å; C111-T114 PolarHBondContact O-N 2.95Å; L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.49Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 3.16Å; T114-S117 WeakPolarHBondContact O-CA 3.28Å; T114-S117 WeakPolarHBondContact O-CB 3.3Å; T114-S117 PolarHBondContact O-N 3.48Å; T114-E118 PolarHBondContact O-N 2.97Å
115K90.2Very high83Confident39 Ų3976.9 Ų76.917%0.1739%0.389CS..Hα-helixtrans-64.5-34.8177.6-68.3-78.2164.6-175.90113C111 L112 S117 E118 L119 T162 E165 C166 L169C111-K115 WeakPolarHBondContact O-CG 3.45Å; C111-K115 PolarHBondContact O-N 3.4Å; L112-K115 PolarHBondContact O-N 3.09Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 3.44Å; K115-E118 WeakPolarHBondContact CD-OE2 3.49Å; K115-E118 IonicContact NZ-OE1 2.69Å; K115-E118 IonicContact NZ-OE2 3.49Å; K115-E118 PolarHBondContact NZ-OE2 3.22Å; K115-E118 WeakPolarHBondContact O-CB 3.19Å; K115-E118 PolarHBondContact O-N 3.36Å; K115-L119 WeakPolarHBondContact O-CG 3.42Å; K115-L119 PolarHBondContact O-N 2.93Å; K115-T162 HydrophobicContact CB-CG2 4.47Å; K115-T162 HydrophobicContact CD-CG2 3.8Å; K115-E165 WeakPolarHBondContact CE-OE2 3.22Å; K115-E165 IonicContact NZ-OE2 3.68Å; K115-E165 PolarHBondContact NZ-OE2 3.18Å; K115-C166 WeakPolarHBondContact CB-SG 3.42Å; K115-L169 HydrophobicContact CG-CD1 4.38Å
116M91.6Very high85Confident82 Ų8270 Ų7040%0.40436%0.36SS..Hα-helixtrans-64.2-34.8171.2-77.7-71-177.600112.5L112 K113 T114 L119 R120L112-M116 HydrophobicContact CD2-CE 4.35Å; L112-M116 HydrophobicContact CD2-CG 3.99Å; L112-M116 HydrophobicContact CG-CG 4.44Å; L112-M116 VanDerWaalsContact O-CB 3.31Å; L112-M116 WeakPolarHBondContact O-CB 3.38Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.31Å; K113-M116 PolarHBondContact O-N 3.01Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 3.16Å; M116-L119 HydrophobicContact SD-CD1 4.26Å; M116-R120 WeakPolarHBondContact O-CG 3.25Å; M116-R120 PolarHBondContact O-N 3.3Å; M116-R120 VanDerWaalsContact O-N 3.12Å
117S94.1Very high86.9Confident66 Ų6669.6 Ų69.646%0.46236%0.363SS..Hα-helixtrans-69.3-40.3172.5-61.20000112.1K113 T114 K115 R120 L121K113-S117 PolarHBondContact O-N 3.42Å; K113-S117 VanDerWaalsContact O-N 3.08Å; K113-S117 PolarHBondContact O-OG 2.83Å; T114-S117 WeakPolarHBondContact O-CA 3.28Å; T114-S117 WeakPolarHBondContact O-CB 3.3Å; T114-S117 PolarHBondContact O-N 3.48Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 3.44Å; S117-R120 PolarHBondContact O-N 3.04Å; S117-L121 PolarHBondContact O-N 3.34Å
118E93.8Very high88.6Confident58 Ų5869.7 Ų69.727%0.27137%0.369SS..Hα-helixtrans-58.7-45.8172.1-71.5175.1-161.100111.1T114 K115 R120 L121 Y122 T162T114-E118 PolarHBondContact O-N 2.97Å; K115-E118 WeakPolarHBondContact CD-OE2 3.49Å; K115-E118 IonicContact NZ-OE1 2.69Å; K115-E118 IonicContact NZ-OE2 3.49Å; K115-E118 PolarHBondContact NZ-OE2 3.22Å; K115-E118 WeakPolarHBondContact O-CB 3.19Å; K115-E118 PolarHBondContact O-N 3.36Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.45Å; E118-L121 WeakPolarHBondContact O-CB 3.35Å; E118-L121 PolarHBondContact O-N 3.42Å; E118-L121 VanDerWaalsContact O-N 3.14Å; E118-Y122 HydrophobicContact CB-CD2 4.42Å; E118-Y122 HydrophobicContact CB-CE2 3.95Å; E118-Y122 WeakPolarHBondContact O-CD2 3.47Å; E118-Y122 PolarHBondContact O-N 3.35Å; E118-T162 HydrophobicContact CB-CG2 4.07Å
119L95.2Very high90Very high12 Ų1269.1 Ų69.16%0.06336%0.359CS..Hα-helixtrans-61-37.4177-74.4173000113.1K115 M116 Y122 C123 F159 T162 L163 C166K115-L119 WeakPolarHBondContact O-CG 3.42Å; K115-L119 PolarHBondContact O-N 2.93Å; M116-L119 HydrophobicContact SD-CD1 4.26Å; L119-Y122 PolarHBondContact O-N 3.21Å; L119-C123 VanDerWaalsContact O-CB 3.31Å; L119-C123 WeakPolarHBondContact O-CB 3.46Å; L119-C123 PolarHBondContact O-N 2.88Å; L119-F159 HydrophobicContact CB-CE2 4.32Å; L119-F159 HydrophobicContact CD2-CD2 3.58Å; L119-F159 HydrophobicContact CD2-CE2 3.55Å; L119-F159 HydrophobicContact CD2-CG 4.17Å; L119-F159 HydrophobicContact CD2-CZ 4.11Å; L119-F159 WeakPolarHBondContact CD2-O 3.25Å; L119-T162 HydrophobicContact CD2-CG2 4.01Å; L119-T162 HydrophobicContact CG-CG2 3.96Å; L119-L163 HydrophobicContact CD1-CD1 3.87Å; L119-L163 HydrophobicContact CD2-CB 4.05Å; L119-L163 HydrophobicContact CD2-CD1 4.39Å; L119-C166 HydrophobicContact CD1-CB 4.23Å; L119-C166 VanDerWaalsContact CD1-SG 3.6Å
120R93.9Very high90.9Very high171 Ų17169.5 Ų69.565%0.64536%0.36SS*.Hα-helixtrans-63.4-45.9174-73.9173.2-176.7152.60.5110.9M116 S117 E118 Y122 C123 D124M116-R120 WeakPolarHBondContact O-CG 3.25Å; M116-R120 PolarHBondContact O-N 3.3Å; M116-R120 VanDerWaalsContact O-N 3.12Å; S117-R120 PolarHBondContact O-N 3.04Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 3.45Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; R120-Y122 PolarHBondContact O-N 2.86Å; R120-C123 WeakPolarHBondContact O-CB 3.4Å; R120-C123 PolarHBondContact O-N 2.95Å; R120-D124 PolarHBondContact O-N 3.38Å
121L94.8Very high91.4Very high118 Ų11872.2 Ų72.262%0.61837%0.37SS*.Hα-helixtrans-61.4-43.3177.2-17468.6000111.7S117 E118 D124 L125S117-L121 PolarHBondContact O-N 3.34Å; E118-L121 WeakPolarHBondContact O-CB 3.35Å; E118-L121 PolarHBondContact O-N 3.42Å; E118-L121 VanDerWaalsContact O-N 3.14Å; L121-D124 PolarHBondContact O-N 3.17Å; L121-L125 WeakPolarHBondContact O-CB 3.29Å; L121-L125 PolarHBondContact O-N 3.22Å
122Y94.7Very high91.6Very high54 Ų5472 Ų7221%0.21237%0.368CS..Hα-helixtrans-65.5-37.3175.3-65.1-40.9000112.2E118 L119 R120 L125 L126 T158 T162E118-Y122 HydrophobicContact CB-CD2 4.42Å; E118-Y122 HydrophobicContact CB-CE2 3.95Å; E118-Y122 WeakPolarHBondContact O-CD2 3.47Å; E118-Y122 PolarHBondContact O-N 3.35Å; L119-Y122 PolarHBondContact O-N 3.21Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; R120-Y122 PolarHBondContact O-N 2.86Å; Y122-L125 PolarHBondContact O-N 3.1Å; Y122-L126 WeakPolarHBondContact O-CB 3.32Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 3.38Å; Y122-T158 HydrophobicContact CE1-CG2 4.06Å; Y122-T158 HydrophobicContact CE2-CG2 4.08Å; Y122-T162 HydrophobicContact CE2-CG2 4.16Å; Y122-T162 WeakPolarHBondContact CE2-OG1 3.33Å
123C94.3Very high91.4Very high61 Ų6171.8 Ų71.841%0.41237%0.366SS..Hα-helixtrans-60.5-48.6173.7-170.80000111.2L119 R120 L125 L126 V127L119-C123 VanDerWaalsContact O-CB 3.31Å; L119-C123 WeakPolarHBondContact O-CB 3.46Å; L119-C123 PolarHBondContact O-N 2.88Å; R120-C123 WeakPolarHBondContact O-CB 3.4Å; R120-C123 PolarHBondContact O-N 2.95Å; C123-L125 VanDerWaalsContact C-N 3.3Å; C123-L125 PolarHBondContact O-N 3.07Å; C123-L126 PolarHBondContact O-N 3.5Å; C123-V127 WeakPolarHBondContact O-CG2 3.36Å; C123-V127 PolarHBondContact O-N 2.84Å
124D94.3Very high91.1Very high107 Ų10773.3 Ų73.357%0.57238%0.375SS*.Hα-helixtrans-60.5-42.2177.6-65.5-21.5000111R120 L121 V127 Q128R120-D124 PolarHBondContact O-N 3.38Å; L121-D124 PolarHBondContact O-N 3.17Å; D124-V127 PolarHBondContact O-N 2.86Å; D124-Q128 PolarHBondContact O-N 3.48Å
125L93.3Very high90.3Very high65 Ų6572.8 Ų72.834%0.3438%0.375SS..Hα-helixtrans-64.2-43.7176.9-177.160.7000112.4L121 Y122 C123 V127 Q128 Q129 T155L121-L125 WeakPolarHBondContact O-CB 3.29Å; L121-L125 PolarHBondContact O-N 3.22Å; Y122-L125 PolarHBondContact O-N 3.1Å; C123-L125 VanDerWaalsContact C-N 3.3Å; C123-L125 PolarHBondContact O-N 3.07Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 3.43Å; L125-Q128 PolarHBondContact O-N 3.31Å; L125-Q129 HydrophobicContact CD1-CG 4.48Å; L125-Q129 WeakPolarHBondContact O-CG 3.47Å; L125-Q129 PolarHBondContact O-N 2.97Å; L125-T155 HydrophobicContact CB-CG2 4.37Å; L125-T155 HydrophobicContact CD2-CG2 3.69Å; L125-T155 HydrophobicContact CG-CG2 3.97Å
126L94.1Very high89.1Confident29 Ų2977.6 Ų77.615%0.15240%0.398CS..Hα-helixtrans-61.5-42.7176.2-74.2172000111.3Y122 C123 Q128 Q129 V130 L152 T155 C156 F159Y122-L126 WeakPolarHBondContact O-CB 3.32Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 3.38Å; C123-L126 PolarHBondContact O-N 3.5Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 2.92Å; L126-Q129 PolarHBondContact O-N 3.47Å; L126-V130 VanDerWaalsContact O-CG2 3.3Å; L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.02Å; L126-L152 HydrophobicContact CD2-CD1 3.61Å; L126-T155 HydrophobicContact CD2-CG2 3.6Å; L126-T155 HydrophobicContact CG-CG2 3.8Å; L126-C156 WeakPolarHBondContact CD2-SG 3.41Å; L126-F159 HydrophobicContact CD1-CB 4.25Å; L126-F159 HydrophobicContact CD1-CD2 4.31Å; L126-F159 HydrophobicContact CD1-CG 4.2Å
127V92.6Very high87.6Confident71 Ų7180.5 Ų80.543%0.4341%0.41SS..Hα-helixtrans-60.9-44.1175.9171.10000110.6C123 D124 L125 V130 Q131C123-V127 WeakPolarHBondContact O-CG2 3.36Å; C123-V127 PolarHBondContact O-N 2.84Å; D124-V127 PolarHBondContact O-N 2.86Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 3.43Å; V127-V130 PolarHBondContact O-N 3.28Å; V127-Q131 VanDerWaalsContact O-CG 3.3Å; V127-Q131 WeakPolarHBondContact O-CG 3.36Å; V127-Q131 PolarHBondContact O-N 3.27Å
128Q91.7Very high85.8Confident121 Ų12182.5 Ų82.557%0.56542%0.424SS*.Hα-helixtrans-64.5-42.6178.4-171.2178.8-10.200112.4D124 L125 L126 Q131 T132D124-Q128 PolarHBondContact O-N 3.48Å; L125-Q128 PolarHBondContact O-N 3.31Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 2.92Å; Q128-Q131 PolarHBondContact O-N 3.46Å; Q128-T132 WeakPolarHBondContact O-CB 3.36Å; Q128-T132 PolarHBondContact O-N 2.8Å; Q128-T132 PolarHBondContact O-OG1 3.48Å
129Q90.9Very high84Confident10 Ų1082.1 Ų82.15%0.04744%0.436CS..Hα-helixtrans-64.3-42.9177.5-73.3167.5-10.600111.8L125 L126 T132 I133 L152 T155L125-Q129 HydrophobicContact CD1-CG 4.48Å; L125-Q129 WeakPolarHBondContact O-CG 3.47Å; L125-Q129 PolarHBondContact O-N 2.97Å; L126-Q129 PolarHBondContact O-N 3.47Å; Q129-T132 WeakPolarHBondContact O-CB 3.11Å; Q129-T132 PolarHBondContact O-N 3.42Å; Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 3.31Å; Q129-L152 HydrophobicContact CB-CD1 3.84Å; Q129-T155 PolarHBondContact NE2-OG1 3.39Å; Q129-T155 PolarHBondContact OE1-OG1 3.48Å
130V88.8Confident81.9Confident55 Ų5590.3 Ų90.333%0.33348%0.48SS..Hα-helixtrans-63.4-44176.9170.40000111.5L126 V127 T132 I133 Q134 L152L126-V130 VanDerWaalsContact O-CG2 3.3Å; L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.02Å; V127-V130 PolarHBondContact O-N 3.28Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.13Å; V130-I133 PolarHBondContact O-N 3.26Å; V130-Q134 HydrophobicContact CG1-CG 4.42Å; V130-Q134 WeakPolarHBondContact O-CB 3.38Å; V130-Q134 VanDerWaalsContact O-CG 3.28Å; V130-Q134 WeakPolarHBondContact O-CG 3.13Å; V130-Q134 PolarHBondContact O-N 3.21Å; V130-L152 HydrophobicContact CG2-CD1 4.03Å; V130-L152 HydrophobicContact CG2-CD2 4.28Å
131Q87.4Confident79.8Confident119 Ų11986.5 Ų86.556%0.55649%0.485SS*.Hα-helixtrans-62.2-39.5175.9-73.6174.7-4.100112V127 Q128 Q134 S135V127-Q131 VanDerWaalsContact O-CG 3.3Å; V127-Q131 WeakPolarHBondContact O-CG 3.36Å; V127-Q131 PolarHBondContact O-N 3.27Å; Q128-Q131 PolarHBondContact O-N 3.46Å; Q131-Q134 PolarHBondContact O-N 3.32Å; Q131-S135 WeakPolarHBondContact O-CB 3.39Å; Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 2.86Å
132T85.4Confident77.9Confident53 Ų5390.1 Ų90.133%0.32550%0.499SS..Hα-helixtrans-62-49.6177.9-56.80000110.6Q128 Q129 V130 Q134 S135 Q136Q128-T132 WeakPolarHBondContact O-CB 3.36Å; Q128-T132 PolarHBondContact O-N 2.8Å; Q128-T132 PolarHBondContact O-OG1 3.48Å; Q129-T132 WeakPolarHBondContact O-CB 3.11Å; Q129-T132 PolarHBondContact O-N 3.42Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.13Å; T132-Q134 PolarHBondContact O-N 3.03Å; T132-S135 PolarHBondContact O-N 2.97Å; T132-S135 PolarHBondContact O-OG 3.15Å; T132-Q136 VanDerWaalsContact O-CG 3.26Å; T132-Q136 WeakPolarHBondContact O-CG 3.32Å; T132-Q136 PolarHBondContact O-N 2.63Å
133I82.9Confident76.1Confident35 Ų3594.6 Ų94.618%0.17953%0.526CS..Hα-helixtrans-61.3-41.7176.8-65.9166.2000111.7Q129 V130 Q136 H137 E148 L152Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 3.31Å; V130-I133 PolarHBondContact O-N 3.26Å; I133-Q136 PolarHBondContact O-N 2.79Å; I133-H137 PolarHBondContact O-N 2.69Å; I133-E148 HydrophobicContact CD1-CB 4.16Å; I133-E148 HydrophobicContact CG1-CB 3.79Å; I133-L152 HydrophobicContact CD1-CB 4.34Å; I133-L152 HydrophobicContact CD1-CD2 4Å
134Q79.5Confident74.3Confident131 Ų13196.2 Ų96.261%0.61254%0.536SS*.Hα-helixtrans-66.9-37.7178.5-74.3176.76.700112.8V130 Q131 T132 Q136 H137V130-Q134 HydrophobicContact CG1-CG 4.42Å; V130-Q134 WeakPolarHBondContact O-CB 3.38Å; V130-Q134 VanDerWaalsContact O-CG 3.28Å; V130-Q134 WeakPolarHBondContact O-CG 3.13Å; V130-Q134 PolarHBondContact O-N 3.21Å; Q131-Q134 PolarHBondContact O-N 3.32Å; T132-Q134 PolarHBondContact O-N 3.03Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-H137 PolarHBondContact O-N 3.37Å
135S73.8Confident72.7Confident72 Ų7294 Ų9450%0.50353%0.528SS..Hα-helixtrans-66.8-36.3178.171.50000112.5Q131 T132 H137 S138Q131-S135 WeakPolarHBondContact O-CB 3.39Å; Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 2.86Å; T132-S135 PolarHBondContact O-N 2.97Å; T132-S135 PolarHBondContact O-OG 3.15Å; S135-H137 VanDerWaalsContact C-N 3.32Å; S135-H137 PolarHBondContact O-N 2.83Å; S135-S138 PolarHBondContact O-N 2.76Å; S135-S138 PolarHBondContact O-OG 2.8Å
136Q64.8Low71.5Confident139 Ų13995.1 Ų95.165%0.6554%0.537SS*.Hα-helixtrans-70.8-26.3178-66.1-102.3-80.700112.5T132 I133 Q134 S138T132-Q136 VanDerWaalsContact O-CG 3.26Å; T132-Q136 WeakPolarHBondContact O-CG 3.32Å; T132-Q136 PolarHBondContact O-N 2.63Å; I133-Q136 PolarHBondContact O-N 2.79Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-S138 VanDerWaalsContact C-N 3.26Å; Q136-S138 PolarHBondContact O-N 3.06Å
137H60.6Low70.7Confident143 Ų14398.1 Ų98.166%0.66256%0.561SS**THydrogen-bonded Turntrans-78.4-0.1177.8-100.970.2000114.8I133 Q134 S135I133-H137 PolarHBondContact O-N 2.69Å; Q134-H137 PolarHBondContact O-N 3.37Å; S135-H137 VanDerWaalsContact C-N 3.32Å; S135-H137 PolarHBondContact O-N 2.83Å
138S55.2Low70Confident109 Ų10997.8 Ų97.876%0.76255%0.554SS**THydrogen-bonded Turntrans-91.1-2.4179.866.20000114.6S135 Q136S135-S138 PolarHBondContact O-N 2.76Å; S135-S138 PolarHBondContact O-OG 2.8Å; Q136-S138 VanDerWaalsContact C-N 3.26Å; Q136-S138 PolarHBondContact O-N 3.06Å
139G55.1Low69.5Low50 Ų5094.3 Ų94.352%0.51555%0.546SS..SBendtrans-125.2128173.500000111.3A141G139-A141 PolarHBondContact O-N 2.88Å
140D51.4Low69.3Low183 Ų18397 Ų9798%0.97957%0.566SS**  trans-45108171.4-97.4-28.5000111.6
141A50.8Low69.4Low91 Ų9198.7 Ų98.775%0.75257%0.573SS**  trans-162.7120.5157.400000110.8G139 D143G139-A141 PolarHBondContact O-N 2.88Å; A141-D143 PolarHBondContact O-N 3.12Å; A141-D143 VanDerWaalsContact O-N 3.13Å
142E54.9Low69.6Low195 Ų19594.8 Ų94.891%0.91156%0.556SS**  trans-7290.3172.2-67.6-130.8123.300111.3
143D56.8Low69.8Low148 Ų14895 Ų9579%0.79156%0.559SS**  trans-149.9136.8154.2-98.6-43.8000109.6A141A141-D143 PolarHBondContact O-N 3.12Å; A141-D143 VanDerWaalsContact O-N 3.13Å
144P56.9Low70.3Confident94 Ų9495.3 Ų95.361%0.6157%0.567SS**  trans-67.8131.6-173.726.9-32.4000110.1T146P144-T146 PolarHBondContact O-N 3.09Å; P144-T146 PolarHBondContact O-OG1 3.34Å
145P60.6Low71Confident62 Ų6289.6 Ų89.640%0.40354%0.541SS..  trans-77.852.7178.734.3-36.2000110.2S147 A149P145-S147 VanDerWaalsContact C-N 3.32Å; P145-S147 PolarHBondContact O-N 3.41Å; P145-A149 WeakPolarHBondContact O-CB 3.22Å; P145-A149 PolarHBondContact O-N 3.33Å
146T67.7Low72Confident88 Ų8888.4 Ų88.454%0.5453%0.532SS..Hα-helixtrans-64.3-40.4-173.3-41.20000110.6P144 S150P144-T146 PolarHBondContact O-N 3.09Å; P144-T146 PolarHBondContact O-OG1 3.34Å; T146-S150 VanDerWaalsContact O-CB 3.25Å; T146-S150 WeakPolarHBondContact O-CB 3.41Å; T146-S150 PolarHBondContact O-N 2.96Å; T146-S150 PolarHBondContact O-OG 3.41Å
147S77Confident73.4Confident92 Ų9287.4 Ų87.464%0.64353%0.527SS*.Hα-helixtrans-66.6-48.7-179.2-173.70000112.7P145 S150 L151P145-S147 VanDerWaalsContact C-N 3.32Å; P145-S147 PolarHBondContact O-N 3.41Å; S147-S150 PolarHBondContact O-N 3.27Å; S147-L151 PolarHBondContact O-N 2.85Å
148E78.5Confident75Confident64 Ų6483 Ų8330%0.29951%0.511SS..Hα-helixtrans-67.4-39.1179.6-63.8-60.1136.700111.6I133 L151 L152I133-E148 HydrophobicContact CD1-CB 4.16Å; I133-E148 HydrophobicContact CG1-CB 3.79Å; E148-L151 PolarHBondContact O-N 3.06Å; E148-L152 WeakPolarHBondContact O-CB 3.26Å; E148-L152 PolarHBondContact O-N 3.45Å
149A81Confident77Confident48 Ų4880.3 Ų80.340%0.39749%0.485SS..Hα-helixtrans-66.8-37.8174.600000112.5P145 L152 S153P145-A149 WeakPolarHBondContact O-CB 3.22Å; P145-A149 PolarHBondContact O-N 3.33Å; A149-L152 PolarHBondContact O-N 2.77Å; A149-S153 PolarHBondContact O-N 3.48Å
150S87.3Confident78.9Confident66 Ų6682 Ų8246%0.46248%0.482SS..Hα-helixtrans-66.6-38.6173.7-69.60000112.4T146 S147 S153 A154T146-S150 VanDerWaalsContact O-CB 3.25Å; T146-S150 WeakPolarHBondContact O-CB 3.41Å; T146-S150 PolarHBondContact O-N 2.96Å; T146-S150 PolarHBondContact O-OG 3.41Å; S147-S150 PolarHBondContact O-N 3.27Å; S150-S153 PolarHBondContact O-N 2.88Å; S150-S153 PolarHBondContact O-OG 2.97Å; S150-S153 VanDerWaalsContact O-OG 3.12Å; S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 2.97Å
151L89.3Confident80.9Confident90 Ų9080.3 Ų80.347%0.47146%0.462SS..Hα-helixtrans-66.7-40.3176-174.366.2000111.6S147 E148 A154 T155S147-L151 PolarHBondContact O-N 2.85Å; E148-L151 PolarHBondContact O-N 3.06Å; L151-A154 PolarHBondContact O-N 2.68Å; L151-T155 PolarHBondContact O-N 3.23Å; L151-T155 PolarHBondContact O-OG1 3.46Å
152L91.8Very high82.9Confident38 Ų3876.2 Ų76.220%0.19943%0.427CS..Hα-helixtrans-61.8-45.4173-177.868.4000111.4L126 Q129 V130 I133 E148 A149 A154 T155 C156L126-L152 HydrophobicContact CD2-CD1 3.61Å; Q129-L152 HydrophobicContact CB-CD1 3.84Å; V130-L152 HydrophobicContact CG2-CD1 4.03Å; V130-L152 HydrophobicContact CG2-CD2 4.28Å; I133-L152 HydrophobicContact CD1-CB 4.34Å; I133-L152 HydrophobicContact CD1-CD2 4Å; E148-L152 WeakPolarHBondContact O-CB 3.26Å; E148-L152 PolarHBondContact O-N 3.45Å; A149-L152 PolarHBondContact O-N 2.77Å; L152-A154 PolarHBondContact O-N 3.22Å; L152-T155 PolarHBondContact O-N 2.88Å; L152-C156 PolarHBondContact O-N 2.88Å; L152-C156 PolarHBondContact O-SG 2.74Å; L152-C156 VanDerWaalsContact O-SG 3.4Å
153S90.8Very high84.8Confident56 Ų5670 Ų7039%0.39240%0.4SS..Hα-helixtrans-62.3-42.7178.788.40000111.8A149 S150 T155 C156 E157A149-S153 PolarHBondContact O-N 3.48Å; S150-S153 PolarHBondContact O-N 2.88Å; S150-S153 PolarHBondContact O-OG 2.97Å; S150-S153 VanDerWaalsContact O-OG 3.12Å; S153-T155 VanDerWaalsContact C-N 3.31Å; S153-T155 PolarHBondContact O-N 3.42Å; S153-C156 WeakPolarHBondContact O-CB 3.32Å; S153-C156 PolarHBondContact O-N 3.32Å; S153-E157 WeakPolarHBondContact O-CG 3.18Å; S153-E157 PolarHBondContact O-N 2.83Å
154A92.4Very high86.5Confident42 Ų4268.4 Ų68.435%0.34739%0.388SS..Hα-helixtrans-62-38.3176.400000112.4S150 L151 L152 E157 T158S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 2.97Å; L151-A154 PolarHBondContact O-N 2.68Å; L152-A154 PolarHBondContact O-N 3.22Å; A154-E157 PolarHBondContact O-N 3.22Å; A154-T158 PolarHBondContact O-N 3.17Å; A154-T158 VanDerWaalsContact O-N 3.1Å; A154-T158 PolarHBondContact O-OG1 3.26Å
155T93.6Very high88.1Confident11 Ų1167.5 Ų67.57%0.06738%0.375CS..Hα-helixtrans-69.2-41.2177.3-51.60000111L125 L126 Q129 L151 L152 S153 T158 F159L125-T155 HydrophobicContact CB-CG2 4.37Å; L125-T155 HydrophobicContact CD2-CG2 3.69Å; L125-T155 HydrophobicContact CG-CG2 3.97Å; L126-T155 HydrophobicContact CD2-CG2 3.6Å; L126-T155 HydrophobicContact CG-CG2 3.8Å; Q129-T155 PolarHBondContact NE2-OG1 3.39Å; Q129-T155 PolarHBondContact OE1-OG1 3.48Å; L151-T155 PolarHBondContact O-N 3.23Å; L151-T155 PolarHBondContact O-OG1 3.46Å; L152-T155 PolarHBondContact O-N 2.88Å; S153-T155 VanDerWaalsContact C-N 3.31Å; S153-T155 PolarHBondContact O-N 3.42Å; T155-T158 PolarHBondContact O-N 3.44Å; T155-F159 WeakPolarHBondContact O-CB 3.31Å; T155-F159 PolarHBondContact O-N 2.79Å
156C94.8Very high89.6Confident47 Ų4764.7 Ų64.732%0.31836%0.357SS..Hα-helixtrans-60.2-45.5173.3-74.70000112.2L126 L152 S153 T158 F159 I160L126-C156 WeakPolarHBondContact CD2-SG 3.41Å; L152-C156 PolarHBondContact O-N 2.88Å; L152-C156 PolarHBondContact O-SG 2.74Å; L152-C156 VanDerWaalsContact O-SG 3.4Å; S153-C156 WeakPolarHBondContact O-CB 3.32Å; S153-C156 PolarHBondContact O-N 3.32Å; C156-T158 VanDerWaalsContact C-N 3.33Å; C156-T158 PolarHBondContact O-N 3.35Å; C156-F159 WeakPolarHBondContact O-CB 3.26Å; C156-F159 PolarHBondContact O-N 3Å; C156-I160 VanDerWaalsContact O-CG1 3.25Å; C156-I160 WeakPolarHBondContact O-CG1 3.29Å; C156-I160 PolarHBondContact O-N 2.77Å
157E95.1Very high90.6Very high119 Ų11965.2 Ų65.256%0.55636%0.355SS*.Hα-helixtrans-60.5-43.1177.5-75.1175.7-162.800111.8S153 A154 I160 R161S153-E157 WeakPolarHBondContact O-CG 3.18Å; S153-E157 PolarHBondContact O-N 2.83Å; A154-E157 PolarHBondContact O-N 3.22Å; E157-I160 PolarHBondContact O-N 3.28Å; E157-R161 WeakPolarHBondContact O-CB 3.3Å; E157-R161 PolarHBondContact O-N 3.2Å
158T94.8Very high91.1Very high50 Ų5063.6 Ų63.631%0.30734%0.343SS..Hα-helixtrans-68-39.6178.7-48.80000111.3Y122 A154 T155 C156 T162Y122-T158 HydrophobicContact CE1-CG2 4.06Å; Y122-T158 HydrophobicContact CE2-CG2 4.08Å; A154-T158 PolarHBondContact O-N 3.17Å; A154-T158 VanDerWaalsContact O-N 3.1Å; A154-T158 PolarHBondContact O-OG1 3.26Å; T155-T158 PolarHBondContact O-N 3.44Å; C156-T158 VanDerWaalsContact C-N 3.33Å; C156-T158 PolarHBondContact O-N 3.35Å; T158-T162 WeakPolarHBondContact O-CB 3.33Å; T158-T162 PolarHBondContact O-N 2.79Å; T158-T162 PolarHBondContact O-OG1 3.49Å
159F96.1Very high91.4Very high53 Ų5362.3 Ų62.323%0.23234%0.338CS..Hα-helixtrans-59.9-49.8173.5175.8-90.1000111.6L119 L126 T155 C156 R161 T162 L163L119-F159 HydrophobicContact CB-CE2 4.32Å; L119-F159 HydrophobicContact CD2-CD2 3.58Å; L119-F159 HydrophobicContact CD2-CE2 3.55Å; L119-F159 HydrophobicContact CD2-CG 4.17Å; L119-F159 HydrophobicContact CD2-CZ 4.11Å; L119-F159 WeakPolarHBondContact CD2-O 3.25Å; L126-F159 HydrophobicContact CD1-CB 4.25Å; L126-F159 HydrophobicContact CD1-CD2 4.31Å; L126-F159 HydrophobicContact CD1-CG 4.2Å; T155-F159 WeakPolarHBondContact O-CB 3.31Å; T155-F159 PolarHBondContact O-N 2.79Å; C156-F159 WeakPolarHBondContact O-CB 3.26Å; C156-F159 PolarHBondContact O-N 3Å; F159-R161 PolarHBondContact O-N 2.97Å; F159-T162 PolarHBondContact O-N 2.88Å; F159-L163 HydrophobicContact CE1-CD2 4.36Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 2.8Å
160I95.4Very high91.6Very high86 Ų8661.6 Ų61.644%0.44133%0.332SS..Hα-helixtrans-60.8-46.9-179-68.5164.2000110.3C156 E157 T162 L163 E164C156-I160 VanDerWaalsContact O-CG1 3.25Å; C156-I160 WeakPolarHBondContact O-CG1 3.29Å; C156-I160 PolarHBondContact O-N 2.77Å; E157-I160 PolarHBondContact O-N 3.28Å; I160-T162 VanDerWaalsContact C-N 3.31Å; I160-T162 PolarHBondContact O-N 2.87Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 2.86Å; I160-L163 VanDerWaalsContact O-N 3.13Å; I160-E164 HydrophobicContact CG2-CG 4.46Å; I160-E164 WeakPolarHBondContact O-CG 3.48Å; I160-E164 PolarHBondContact O-N 3.24Å
161R93.9Very high91.2Very high147 Ų14763.3 Ų63.356%0.55534%0.336SS*.Hα-helixtrans-57.3-45.6176.4-171.4-173.8-55.4172.65.8111.9E157 F159 L163 E164 E165E157-R161 WeakPolarHBondContact O-CB 3.3Å; E157-R161 PolarHBondContact O-N 3.2Å; F159-R161 PolarHBondContact O-N 2.97Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.47Å; R161-E164 PolarHBondContact O-N 2.86Å; R161-E165 WeakPolarHBondContact O-CG 3.26Å; R161-E165 PolarHBondContact O-N 3.38Å
162T92.3Very high90.5Very high5 Ų564.9 Ų64.93%0.03134%0.341CS..Hα-helixtrans-66.8-34.2179.5-510000111.6K115 E118 L119 Y122 T158 F159 I160 E165 C166K115-T162 HydrophobicContact CB-CG2 4.47Å; K115-T162 HydrophobicContact CD-CG2 3.8Å; E118-T162 HydrophobicContact CB-CG2 4.07Å; L119-T162 HydrophobicContact CD2-CG2 4.01Å; L119-T162 HydrophobicContact CG-CG2 3.96Å; Y122-T162 HydrophobicContact CE2-CG2 4.16Å; Y122-T162 WeakPolarHBondContact CE2-OG1 3.33Å; T158-T162 WeakPolarHBondContact O-CB 3.33Å; T158-T162 PolarHBondContact O-N 2.79Å; T158-T162 PolarHBondContact O-OG1 3.49Å; F159-T162 PolarHBondContact O-N 2.88Å; I160-T162 VanDerWaalsContact C-N 3.31Å; I160-T162 PolarHBondContact O-N 2.87Å; T162-E165 PolarHBondContact O-N 3.36Å; T162-C166 PolarHBondContact O-N 2.99Å
163L94.5Very high89.2Confident65 Ų6566.6 Ų66.634%0.3436%0.356SS..Hα-helixtrans-68.2-42.8175.9-173.179.9000111.3L119 F159 I160 R161 E165 C166 M167L119-L163 HydrophobicContact CD1-CD1 3.87Å; L119-L163 HydrophobicContact CD2-CB 4.05Å; L119-L163 HydrophobicContact CD2-CD1 4.39Å; F159-L163 HydrophobicContact CE1-CD2 4.36Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 2.8Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 2.86Å; I160-L163 VanDerWaalsContact O-N 3.13Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.47Å; L163-E165 VanDerWaalsContact C-N 3.33Å; L163-C166 WeakPolarHBondContact O-CB 3.43Å; L163-C166 PolarHBondContact O-N 2.77Å; L163-M167 HydrophobicContact CD2-CE 4.36Å; L163-M167 HydrophobicContact CG-CE 4.3Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.22Å
164E93.4Very high88Confident114 Ų11470.3 Ų70.353%0.53337%0.371SS..Hα-helixtrans-60.7-42.5174.5-72.1175.1169.800111.5I160 R161 C166 M167 S168I160-E164 HydrophobicContact CG2-CG 4.46Å; I160-E164 WeakPolarHBondContact O-CG 3.48Å; I160-E164 PolarHBondContact O-N 3.24Å; R161-E164 PolarHBondContact O-N 2.86Å; E164-C166 PolarHBondContact O-N 3.21Å; E164-M167 HydrophobicContact CG-CE 4.26Å; E164-M167 PolarHBondContact O-N 2.65Å; E164-S168 WeakPolarHBondContact O-CB 3.24Å; E164-S168 PolarHBondContact O-N 2.98Å
165E90.1Very high86.1Confident74 Ų7473.1 Ų73.135%0.34638%0.384SS..Hα-helixtrans-58.9-46.1172.3-72.5172.9-162.300111.5K115 R161 T162 L163 M167 S168 L169K115-E165 WeakPolarHBondContact CE-OE2 3.22Å; K115-E165 IonicContact NZ-OE2 3.68Å; K115-E165 PolarHBondContact NZ-OE2 3.18Å; R161-E165 WeakPolarHBondContact O-CG 3.26Å; R161-E165 PolarHBondContact O-N 3.38Å; T162-E165 PolarHBondContact O-N 3.36Å; L163-E165 VanDerWaalsContact C-N 3.33Å; E165-M167 PolarHBondContact O-N 2.9Å; E165-S168 PolarHBondContact O-N 2.92Å; E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 VanDerWaalsContact O-CG 3.26Å; E165-L169 WeakPolarHBondContact O-CG 3.22Å; E165-L169 PolarHBondContact O-N 2.89Å
166C91.4Very high84Confident3 Ų377.7 Ų77.72%0.0241%0.414CS..Hα-helixtrans-58-47.7174.6-86.80000112.7K115 L119 T162 L163 E164 S168 L169 A170K115-C166 WeakPolarHBondContact CB-SG 3.42Å; L119-C166 HydrophobicContact CD1-CB 4.23Å; L119-C166 VanDerWaalsContact CD1-SG 3.6Å; T162-C166 PolarHBondContact O-N 2.99Å; L163-C166 WeakPolarHBondContact O-CB 3.43Å; L163-C166 PolarHBondContact O-N 2.77Å; E164-C166 PolarHBondContact O-N 3.21Å; C166-S168 VanDerWaalsContact C-N 3.33Å; C166-S168 PolarHBondContact O-N 2.97Å; C166-L169 PolarHBondContact O-N 2.95Å; C166-A170 WeakPolarHBondContact O-CB 3.33Å; C166-A170 PolarHBondContact O-N 2.64Å
167M89.6Confident81.5Confident100 Ų10080.7 Ų80.749%0.49343%0.427SS..Hα-helixtrans-64.3-39.3179.7-71.5-170.9-67.900111.6L163 E164 E165 A170 N171L163-M167 HydrophobicContact CD2-CE 4.36Å; L163-M167 HydrophobicContact CG-CE 4.3Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.22Å; E164-M167 HydrophobicContact CG-CE 4.26Å; E164-M167 PolarHBondContact O-N 2.65Å; E165-M167 PolarHBondContact O-N 2.9Å; M167-A170 PolarHBondContact O-N 2.83Å; M167-N171 WeakPolarHBondContact O-CB 3.47Å; M167-N171 VanDerWaalsContact O-CG 3.28Å; M167-N171 PolarHBondContact O-N 2.61Å; M167-N171 PolarHBondContact O-ND2 2.9Å
168S87Confident79.2Confident58 Ų5883.1 Ų83.141%0.40644%0.443SS..Hα-helixtrans-62.4-48.9174.8-176.40000111.8E164 E165 C166 A170 N171 Q172E164-S168 WeakPolarHBondContact O-CB 3.24Å; E164-S168 PolarHBondContact O-N 2.98Å; E165-S168 PolarHBondContact O-N 2.92Å; C166-S168 VanDerWaalsContact C-N 3.33Å; C166-S168 PolarHBondContact O-N 2.97Å; S168-A170 VanDerWaalsContact C-N 3.34Å; S168-A170 PolarHBondContact O-N 3.45Å; S168-N171 PolarHBondContact O-N 2.87Å; S168-Q172 VanDerWaalsContact O-CG 3.29Å; S168-Q172 WeakPolarHBondContact O-CG 2.84Å; S168-Q172 PolarHBondContact O-N 2.82Å; S168-Q172 VanDerWaalsContact O-N 3.07Å; S168-Q172 PolarHBondContact O-NE2 3.38Å; S168-Q172 PolarHBondContact OG-NE2 3.08Å; S168-Q172 VanDerWaalsContact OG-NE2 3.1Å
169L85.6Confident76.7Confident37 Ų3790 Ų9019%0.19446%0.463CS..Hα-helixtrans-62.4-39.2177.8-70169.8000112.3C111 L112 K115 E165 C166 S173C111-L169 HydrophobicContact CB-CD1 4.26Å; C111-L169 VanDerWaalsContact SG-CD1 3.59Å; L112-L169 HydrophobicContact CD1-CB 4.36Å; K115-L169 HydrophobicContact CG-CD1 4.38Å; E165-L169 WeakPolarHBondContact O-CB 3.36Å; E165-L169 VanDerWaalsContact O-CG 3.26Å; E165-L169 WeakPolarHBondContact O-CG 3.22Å; E165-L169 PolarHBondContact O-N 2.89Å; C166-L169 PolarHBondContact O-N 2.95Å; L169-S173 PolarHBondContact O-N 3.17Å
170A83.9Confident74Confident33 Ų3392.8 Ų92.827%0.27349%0.486SS..Hα-helixtrans-65.5-44.9176.500000111.9L112 C166 M167 S168 Q172 S173 L174L112-A170 HydrophobicContact CD1-CB 3.74Å; C166-A170 WeakPolarHBondContact O-CB 3.33Å; C166-A170 PolarHBondContact O-N 2.64Å; M167-A170 PolarHBondContact O-N 2.83Å; S168-A170 VanDerWaalsContact C-N 3.34Å; S168-A170 PolarHBondContact O-N 3.45Å; A170-Q172 PolarHBondContact O-N 3.18Å; A170-S173 WeakPolarHBondContact O-CB 3.45Å; A170-S173 PolarHBondContact O-N 2.78Å; A170-S173 VanDerWaalsContact O-N 3.13Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 2.66Å
171N79.9Confident71.5Confident101 Ų10194.6 Ų94.654%0.5450%0.504SS..Hα-helixtrans-63.8-41-180-78.2-22.7000112.2M167 S168 S173 L174 T175M167-N171 WeakPolarHBondContact O-CB 3.47Å; M167-N171 VanDerWaalsContact O-CG 3.28Å; M167-N171 PolarHBondContact O-N 2.61Å; M167-N171 PolarHBondContact O-ND2 2.9Å; S168-N171 PolarHBondContact O-N 2.87Å; N171-S173 PolarHBondContact O-N 2.73Å; N171-L174 PolarHBondContact O-N 2.63Å; N171-T175 PolarHBondContact O-N 2.79Å; N171-T175 PolarHBondContact O-OG1 3.23Å
172Q73.2Confident69.2Low124 Ų12496.7 Ų96.758%0.57952%0.52SS*.Hα-helixtrans-60.5-30.3174.7-69.117140.100112.5S168 A170S168-Q172 VanDerWaalsContact O-CG 3.29Å; S168-Q172 WeakPolarHBondContact O-CG 2.84Å; S168-Q172 PolarHBondContact O-N 2.82Å; S168-Q172 VanDerWaalsContact O-N 3.07Å; S168-Q172 PolarHBondContact O-NE2 3.38Å; S168-Q172 PolarHBondContact OG-NE2 3.08Å; S168-Q172 VanDerWaalsContact OG-NE2 3.1Å; A170-Q172 PolarHBondContact O-N 3.18Å
173S66Low66.8Low74 Ų74107.8 Ų107.852%0.51756%0.561SS.*Hα-helixtrans-76.8-21.4175-176.50000113.7L169 A170 N171L169-S173 PolarHBondContact O-N 3.17Å; A170-S173 WeakPolarHBondContact O-CB 3.45Å; A170-S173 PolarHBondContact O-N 2.78Å; A170-S173 VanDerWaalsContact O-N 3.13Å; N171-S173 PolarHBondContact O-N 2.73Å
174L64.3Low64.5Low134 Ų134113 Ų11370%0.70259%0.586SS**Hα-helixtrans-94.6-15.4-176.6-66.5173000113.1A170 N171 P176A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 2.66Å; N171-L174 PolarHBondContact O-N 2.63Å; L174-P176 WeakPolarHBondContact O-CD 3.46Å
175T53.4Low62.1Low100 Ų100116.7 Ų116.761%0.61360%0.6SS**  trans-104.987.4175.354.60000111.2N171 D177N171-T175 PolarHBondContact O-N 2.79Å; N171-T175 PolarHBondContact O-OG1 3.23Å; T175-D177 PolarHBondContact O-N 2.75Å
176P49.7Very low59.5Low107 Ų107123.9 Ų123.970%0.69562%0.624SS**  trans-68.8122.6167.328.1-29.7000108.6L174 L178L174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-L178 PolarHBondContact O-N 2.88Å
177D42.1Very low57Low111 Ų111129.3 Ų129.359%0.59466%0.662SS**  trans-51.7102.4-178.4-160.40.9000111.5T175 R179T175-D177 PolarHBondContact O-N 2.75Å; D177-R179 VanDerWaalsContact C-N 3.31Å; D177-R179 PolarHBondContact O-N 3.48Å; D177-R179 WeakPolarHBondContact OD1-CG 3.46Å; D177-R179 IonicContact OD1-NE 2.76Å; D177-R179 PolarHBondContact OD1-NE 3.24Å; D177-R179 IonicContact OD2-CZ 2.77Å; D177-R179 IonicContact OD2-NE 3.09Å; D177-R179 PolarHBondContact OD2-NE 3.36Å; D177-R179 IonicContact OD2-NH2 3.42Å; D177-R179 PolarHBondContact OD2-NH2 2.9Å
178L47.2Very low54.6Low169 Ų169130.2 Ų130.289%0.88567%0.668SS**  trans-83.775.9169.1-71.6177.7000108.9P176P176-L178 PolarHBondContact O-N 2.88Å
179R41.9Very low52.4Low196 Ų196132.7 Ų132.774%0.7469%0.685SS**  trans-83.5126.8162.8-67.6-173.3-158.2163.610.7109.6D177D177-R179 VanDerWaalsContact C-N 3.31Å; D177-R179 PolarHBondContact O-N 3.48Å; D177-R179 WeakPolarHBondContact OD1-CG 3.46Å; D177-R179 IonicContact OD1-NE 2.76Å; D177-R179 PolarHBondContact OD1-NE 3.24Å; D177-R179 IonicContact OD2-CZ 2.77Å; D177-R179 IonicContact OD2-NE 3.09Å; D177-R179 PolarHBondContact OD2-NE 3.36Å; D177-R179 IonicContact OD2-NH2 3.42Å; D177-R179 PolarHBondContact OD2-NH2 2.9Å
180P39.3Very low50.5Low111 Ų111138.9 Ų138.972%0.72171%0.713SS**  trans-62.4139.1169.5-14.828.1000109.3E182P180-E182 PolarHBondContact O-N 3.06Å
181P42.4Very low48.7Very low124 Ų124143.2 Ų143.281%0.80574%0.738SS**  trans-65.9113.2172.426.2-30.1000108.4R183P181-R183 PolarHBondContact O-N 3.07Å
182E46Very low46.5Very low190 Ų190142 Ų14289%0.88875%0.749SS**  trans-60.2115.3165.1-79.1-158.1133.300108.2P180 M184P180-E182 PolarHBondContact O-N 3.06Å; E182-M184 PolarHBondContact O-N 2.97Å
183R42.5Very low44.8Very low238 Ų238143 Ų14390%0.89877%0.765SS**  trans-64.495.5-176.9-173.3176.7174176.7-1.5109.3P181 K185P181-R183 PolarHBondContact O-N 3.07Å; R183-K185 PolarHBondContact O-N 3.2Å; R183-K185 VanDerWaalsContact O-N 3.14Å
184M44.9Very low43.4Very low175 Ų175149.1 Ų149.186%0.86278%0.777SS**  trans-53.3115.5170.5-16775.6139.700109.5E182 R186E182-M184 PolarHBondContact O-N 2.97Å; M184-R186 PolarHBondContact O-N 3.14Å
185K42.9Very low41.9Very low192 Ų192147.7 Ų147.784%0.83578%0.779SS**  trans-68.5112.9171.4-68.1179.1-178.9176.60107.7R183 S187R183-K185 PolarHBondContact O-N 3.2Å; R183-K185 VanDerWaalsContact O-N 3.14Å; K185-S187 PolarHBondContact O-N 3.09Å; K185-S187 VanDerWaalsContact O-N 3.09Å
186R37.2Very low41Very low225 Ų225151.1 Ų151.185%0.84979%0.785SS**  trans-62.8105.7169.2-76.8-178.5-175.3132.71.5108.9M184 I188M184-R186 PolarHBondContact O-N 3.14Å; R186-I188 HydrophobicContact CB-CG1 4.35Å
187S38.9Very low40.1Very low117 Ų117152.8 Ų152.882%0.81879%0.789SS**  trans-92.989.1157.6-66.90000107.4K185K185-S187 PolarHBondContact O-N 3.09Å; K185-S187 VanDerWaalsContact O-N 3.09Å
188I39Very low39.7Very low118 Ų118159 Ų15961%0.60580%0.804SS**  trans-92.4100.9167.3-61.8171.2000106.5R186 H190R186-I188 HydrophobicContact CB-CG1 4.35Å; I188-H190 WeakPolarHBondContact CG2-CE1 3.05Å; I188-H190 WeakPolarHBondContact CG2-ND1 3.4Å
189S39.5Very low39.2Very low111 Ų111156.7 Ų156.778%0.77680%0.802SS**  trans-110.199.3157.656.20000107.6
190H45.3Very low38.8Very low166 Ų166150.5 Ų150.577%0.76980%0.799SS**  trans-78.8141164-75.186.2000108.8I188I188-H190 WeakPolarHBondContact CG2-CE1 3.05Å; I188-H190 WeakPolarHBondContact CG2-ND1 3.4Å
191P47.7Very low38.4Very low124 Ų124151.9 Ų151.981%0.80581%0.805SS**  trans-86129.416627.7-19.2000110.7
192G33.5Very low37.9Very low76 Ų76153 Ų15378%0.78480%0.804SS**  trans69.5100143.400000119
193T37.8Very low37.1Very low146 Ų146152.7 Ų152.790%0.89680%0.799SS**  trans-123.2113.6138.8350000109.4S195T193-S195 PolarHBondContact O-N 3.42Å
194Y35.8Very low36.5Very low201 Ų201149.3 Ų149.379%0.78879%0.793SS**PPolyproline II helixtrans-54118.8173.4-176-110.6000110.5F196Y194-F196 AromaticContact CE1-CD2 3.79Å; Y194-F196 HydrophobicContact CE1-CD2 3.79Å; Y194-F196 HydrophobicContact CE1-CE2 4.35Å
195S33.3Very low35.7Very low104 Ų104151.8 Ų151.873%0.72780%0.795SS**PPolyproline II helixtrans-85.6122.7170.7-1760000108.5T193T193-S195 PolarHBondContact O-N 3.42Å
196F33Very low35.2Very low172 Ų172148.4 Ų148.475%0.75479%0.79SS**PPolyproline II helixtrans-90.1117.7169-148.7-91.6000107.8Y194Y194-F196 AromaticContact CE1-CD2 3.79Å; Y194-F196 HydrophobicContact CE1-CD2 3.79Å; Y194-F196 HydrophobicContact CE1-CE2 4.35Å
197D32.3Very low34.9Very low143 Ų143143.5 Ų143.577%0.76579%0.79SS**PPolyproline II helixtrans-57.8136176.5-88.1-56000112
198R34Very low34.5Very low242 Ų242141.5 Ų141.591%0.91379%0.788SS**  trans-100.8106.2170.5-169-179.7-175.8176.91.8108.6
199S36.1Very low34Very low120 Ų120139.4 Ų139.484%0.83980%0.796SS**  trans-61136.8169.6-35.90000111.4
200G32.8Very low33.6Very low66 Ų66142.5 Ų142.568%0.6880%0.798SS**  trans177.974.1176.300000117.4
201V31.6Very low32.9Very low140 Ų140145.6 Ų145.685%0.84880%0.803SS**  trans68108.1133.3-177.10000120.4
202L30.8Very low32.2Very low148 Ų148145.6 Ų145.678%0.77581%0.806SS**  66.9117.9126.9-152.9107.7000121.4
203K31.2Very low32.4Very low182 Ų182146.3 Ų146.379%0.79181%0.805SS**  -170.5124.4111.8-131.2168.9179.3172.90113.1
204E28.4Very low32.6Very low167 Ų167145.5 Ų145.578%0.7880%0.802SS**  trans-61149.6162.4-70.5168.4112.800111.5
205Y29.2Very low32.5Very low227 Ų227145.5 Ų145.589%0.8980%0.8SS**  trans-158150.7136.5-102.5-77.7000111.1
206V31.4Very low32.6Very low122 Ų122149.2 Ų149.274%0.73980%0.798SS**  trans-95.7158.1-158.6159.60000113.3
207S31Very low32.4Very low121 Ų121149.8 Ų149.885%0.84680%0.803SS**  trans87.2129.9151-92.80000120.9
208G29.9Very low32.6Very low76 Ų76154 Ų15478%0.78481%0.808SS**  trans144.985.414000000117.7
209G29.5Very low32.8Very low74 Ų74149 Ų14976%0.76381%0.805SS**  73113.8124.800000122.5
210Q31.5Very low32.7Very low176 Ų176148.5 Ų148.582%0.82280%0.801SS**  trans86.8109.9131-59.3-158.9-40.400122.8
211R31.1Very low32.7Very low230 Ų230151 Ų15187%0.86881%0.808SS**  46122.1125.6-67.9-177.4175.8-174.1-0.4119.6
212S32.5Very low32.7Very low124 Ų124151.6 Ų151.687%0.86781%0.807SS**  -177134.9106.329.20000112
213A37.4Very low32.8Very low92 Ų92149.3 Ų149.376%0.7680%0.803SS**  trans-89.5166.916800000109.7
214P42.3Very low32.8Very low128 Ų128145.1 Ų145.183%0.83180%0.797SS**  -142.3146.893.735.2-18.8000116.5
215R33.3Very low33Very low202 Ų202143 Ų14376%0.76280%0.795SS**  trans-49.1159.5149.2-89.1174.2155.2168.4-5.2110.4
216R34.3Very low33.3Very low181 Ų181143.1 Ų143.168%0.68380%0.796SS**  cis-170.3152.818.7-111.1161.4-176.1-176.8-0.6104.2
217H30.5Very low33.3Very low184 Ų184144.7 Ų144.785%0.85280%0.795SS**  -159.4125.797.5-109.6-84.9000110.9
218R35.8Very low33.4Very low231 Ų231145.4 Ų145.487%0.87279%0.794SS**  trans-88.9145.6159.7-86.9179.4170.2158.6-3.8108.1
219T39Very low33.7Very low138 Ų138148.4 Ų148.485%0.84779%0.788SS**  trans-140.4125.5142.449.60000108.6
220S32.3Very low33.9Very low109 Ų109156.2 Ų156.276%0.76279%0.794SS**  trans-81.1160.6171.9-75.10000112
221S33Very low33.9Very low118 Ų118155 Ų15583%0.82579%0.793SS**  164.2113.8124.8-75.90000106.9
222D32Very low34.3Very low153 Ų153151.6 Ų151.682%0.81879%0.791SS**  92.8143.151.6-159.418.4000113.8
223S32.7Very low34.7Very low100 Ų100151.3 Ų151.370%0.69979%0.786SS**  trans85.2139.5173.4-49.90000117.5
224S32.4Very low34.4Very low95 Ų95151.5 Ų151.566%0.66479%0.788SS**  cis179.8133.8-1149.90000107.6
225V32.5Very low34.1Very low123 Ų123152.2 Ų152.275%0.74578%0.784SS**  trans35.2117.8140-147.30000120.2
226Y35.3Very low34.1Very low229 Ų229150.4 Ų150.490%0.89879%0.789SS**  -142.5123.2129.137-92000110
227E30.8Very low34Very low154 Ų154145.3 Ų145.372%0.7279%0.793SS**  trans-94.9134.4178-176.6174.2151.900107.8
228T34.1Very low34.1Very low136 Ų136144.3 Ų144.383%0.83479%0.794SS**  trans-149.8101.3157.9-64.40000107.9
229E34.5Very low34Very low140 Ų140138 Ų13865%0.65479%0.785SS**  trans-60.5145.4166.3-68.5-136.6128.900112.3
230R34.4Very low33.7Very low237 Ų237136.7 Ų136.789%0.89478%0.782SS**  trans-161.590.2139.7-106.4170.9-165.3153.14.7110.9
231L32.3Very low33.7Very low150 Ų150136.8 Ų136.879%0.78578%0.782SS**  trans31.4109.6133.6-61.9166.2000118.5
232L38.1Very low34.2Very low159 Ų159138 Ų13883%0.83278%0.779SS**  trans-88.3157.5138.8-66.4174.3000108
233P41.3Very low34.7Very low118 Ų118136.9 Ų136.977%0.76678%0.78SS**  -145.4135.886.529.9-9.8000114.5
234A32.1Very low35.3Very low96 Ų96140.5 Ų140.579%0.79379%0.785SS**  trans-88.9118.1154.400000108
235L35.6Very low35.6Very low144 Ų144144 Ų14475%0.75479%0.791SS**  trans-132.8149.1164-79.5178.7000109.2
236N33.3Very low35.8Very low163 Ų163148.6 Ų148.687%0.87280%0.795SS**  trans87.7137.4173.1-50.7-18.7000113.9
237G32.5Very low35.6Very low75 Ų75141.2 Ų141.277%0.77379%0.789SS**  cis167.5158.610.400000108
238D32Very low35.7Very low163 Ų163137.3 Ų137.387%0.87279%0.79SS**  trans-69.9168.2-168.8-128.1-26.2000116
239S34.8Very low36Very low98 Ų98136.7 Ų136.769%0.68579%0.791SS**  trans101.1124.6148.3-69.20000122.7
240S31.9Very low36.1Very low111 Ų111134.8 Ų134.878%0.77680%0.799SS**  trans72131.5142.364.90000117.3
241S32Very low36.5Very low110 Ų110129 Ų12977%0.76980%0.795SS**  cis-171.514848.9-47.90000111.1
242I44.3Very low37.3Very low145 Ų145128.1 Ų128.174%0.74480%0.798SS**  trans-73.6155.6163.1-73.1-177.2000110.2E244I242-E244 VanDerWaalsContact CG2-N 3.26Å
243P43.1Very low37.3Very low129 Ų129129.7 Ų129.784%0.83880%0.798SS**  -132.2125.8123.229.6-14.4000113.3
244E44.4Very low37.1Very low176 Ų176130.8 Ų130.882%0.82280%0.803SS**  trans-80.4144.4151.3-91.9-1749500108.7I242I242-E244 VanDerWaalsContact CG2-N 3.26Å
245E37.6Very low38Very low167 Ų167132.6 Ų132.678%0.7880%0.804SS**  trans-164.7149.5147.5-89.1-69.2116.300106.1
246R37.7Very low38.5Very low220 Ų220131.3 Ų131.383%0.8381%0.805SS**  cis176150.3-22.7-179.4169.6-171.8-140.53.8106.6
247G30.6Very low39Very low75 Ų75129.4 Ų129.477%0.77380%0.799SS**  trans110.7133.215000000115.1
248G32.9Very low39.4Very low71 Ų71133.8 Ų133.873%0.73281%0.805SS**  cis167.7132.32.700000109.5
249S40.7Very low40.5Very low123 Ų123131.7 Ų131.786%0.8680%0.798SS**  trans19.5130153.459.60000122.2
250A37.4Very low41Very low100 Ų100134.3 Ų134.383%0.82680%0.804SS**  157.5132.4108.200000112.4
251S42.7Very low42.2Very low117 Ų117135.3 Ų135.382%0.81881%0.806SS**  trans-76.9160.3166.5-49.40000110.8
252P47.6Very low43.3Very low130 Ų130136.3 Ų136.384%0.84480%0.803SS**  -146.9168.786.835.2-15.6000116
253K38.8Very low43.8Very low193 Ų193135.9 Ų135.984%0.83980%0.801SS**  trans-68.3141.4175.8-168.2177.3-172-1790111.6
254T36.8Very low44.6Very low141 Ų141134.3 Ų134.387%0.86579%0.793SS**  trans175.5133.4131.229.30000111.8
255T51Low44.7Very low133 Ų133137.6 Ų137.682%0.81681%0.814SS**  trans-85.1150.4173.742.80000110.9
256P47.5Very low45.1Very low117 Ų117136.2 Ų136.276%0.7682%0.816SS**  trans-92.7133.9177.934.7-30.9000113.6
257T43.9Very low45.5Very low123 Ų123131.7 Ų131.776%0.75582%0.815SS**  trans50.2102.8141.139.90000121
258D38.9Very low46.3Very low168 Ų168134.9 Ų134.990%0.89882%0.817SS**  trans-75.3132.1134-91.7-53000108.9
259T57Low47.1Very low118 Ų118138.6 Ų138.672%0.72482%0.822SS**  trans-125.796.4158.8470000107.7
260D45Very low47.5Very low153 Ų153139.6 Ų139.682%0.81882%0.82SS**  trans-71.9127158.8-152.5-63.2000107.3
261T56.8Low48.1Very low132 Ų132142.3 Ų142.381%0.8182%0.819SS**  trans-121.9104.2172.5-60.70000106.1
262D55Low48.5Very low132 Ų132144.1 Ų144.171%0.70682%0.819SS**  trans-138.3133.3160.4-143.90000111.7
263L55.1Low48.6Very low136 Ų136145.2 Ų145.271%0.71282%0.818SS**  trans7898.1155.6-70.4155.2000123
264S58.3Low49.4Very low95 Ų95141.2 Ų141.266%0.66482%0.816SS**  68.9129.5113.763.90000123.2
265I47.7Very low50.6Low246 Ų246141.2 Ų141.2100%1.26281%0.811SS**  trans84.20165.7-58.6174.4000115.9

Retrieved 265 of 265 residues in 539.2 ms (Link to these results)

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