A0A2K5N2Y0_CERAT Loading...

tRNA (guanine(10)-N(2))-methyltransferase TRMT11

Catalytic subunit of the TRMT11-TRM112 methyltransferase complex, that specifically mediates the S-adenosyl-L-methionine-dependent N(2)-methylation of guanosine nucleotide at position 10 (m2G10) in tRNAs. This is one of the major tRNA (guanine-N(2))-methyltransferases.

AlphaFold DB , UniProt , Accession A0A2K5N2Y0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRMT11, Length 460 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
1M32.6Very low62.3Low243 Ų24390.8 Ų90.8100%1.19753%0.533SS*.  0114.40-74.2171.7-173.700106.8
2A29Very low65.1Low94 Ų9483.3 Ų83.378%0.77749%0.489SS*.  trans-65.7136.9171.500000107.9S4A2-S4 PolarHBondContact O-N 3.2Å
3P34.4Very low67.6Low120 Ų12078.3 Ų78.378%0.77946%0.459SS*.  trans-57.7135.5178.324.5-31.4000108.5C5P3-C5 PolarHBondContact O-N 3.21Å
4S40Very low69.6Low110 Ų11072.8 Ų72.877%0.76943%0.426SS*.  trans-56.4105.2173.356.70000107.8A2 T6A2-S4 PolarHBondContact O-N 3.2Å; S4-T6 PolarHBondContact O-N 3.26Å
5C47.5Very low71.2Confident90 Ų9067.9 Ų67.961%0.60840%0.398SS*.  trans-65.3105.7-179.5-1540000106.9P3 L7P3-C5 PolarHBondContact O-N 3.21Å; C5-L7 PolarHBondContact O-N 3.42Å
6T62Low72.5Confident107 Ų10767.8 Ų67.866%0.65639%0.392SS*.  trans-64.4104.4177.544.30000108.2S4 N8S4-T6 PolarHBondContact O-N 3.26Å; T6-N8 PolarHBondContact O-N 3.33Å
7L71.6Confident73.6Confident91 Ų9169.5 Ų69.548%0.47640%0.396SS..PPolyproline II helixtrans-66.5127177.4-66.9170.8000109.5C5 P55C5-L7 PolarHBondContact O-N 3.42Å; L7-P55 HydrophobicContact CD2-CB 4.07Å; L7-P55 HydrophobicContact CD2-CG 3.78Å
8N84.5Confident74.6Confident36 Ų3668.8 Ų68.819%0.19339%0.388CS..EExtended strand (participates in β ladder)trans-86147171.7-75.6-27.1000109.8T6 Y10 S53 I54 K97T6-N8 PolarHBondContact O-N 3.33Å; N8-Y10 HydrophobicContact CB-CD2 4.38Å; N8-Y10 HydrophobicContact CB-CE2 3.58Å; N8-Y10 VanDerWaalsContact O-CD2 3.31Å; N8-Y10 WeakPolarHBondContact O-CD2 3.39Å; N8-S53 WeakPolarHBondContact O-CA 3.39Å; N8-I54 PolarHBondContact N-O 3.13Å; N8-I54 VanDerWaalsContact N-O 3.13Å; N8-I54 PolarHBondContact O-N 3.47Å; N8-K97 PolarHBondContact OD1-NZ 2.92Å
9R92.4Very high75.5Confident106 Ų10668 Ų6840%0.438%0.383SS..EExtended strand (participates in β ladder)trans-86.4129.9175.7-66.818070.2-168.82.5109.8L52 L76 H79R9-L52 CarbonylContact C-O 3.46Å; R9-L76 HydrophobicContact CB-CB 4.24Å; R9-L76 HydrophobicContact CB-CD2 4.44Å; R9-L76 PolarHBondContact O-N 3.02Å; R9-H79 PolarHBondContact NH1-CD2 3.24Å; R9-H79 VanDerWaalsContact NH1-CD2 3.34Å; R9-H79 PolarHBondContact NH1-NE2 3.03Å; R9-H79 PolarHBondContact NH2-CD2 2.89Å; R9-H79 PolarHBondContact NH2-NE2 3.24Å
10Y95Very high76.4Confident1 Ų169.3 Ų69.30%0.00439%0.386CS..EExtended strand (participates in β ladder)trans-123.6150.1175.1-64.2-93.4000109.9N8 I51 L52 I54 E57 A60 I73 F74 E75 I175N8-Y10 HydrophobicContact CB-CD2 4.38Å; N8-Y10 HydrophobicContact CB-CE2 3.58Å; N8-Y10 VanDerWaalsContact O-CD2 3.31Å; N8-Y10 WeakPolarHBondContact O-CD2 3.39Å; Y10-I51 CarbonylContact O-C 3.52Å; Y10-I51 WeakPolarHBondContact O-CA 3.35Å; Y10-L52 PolarHBondContact N-O 3.11Å; Y10-L52 PolarHBondContact O-N 2.96Å; Y10-I54 HydrophobicContact CD2-CB 3.55Å; Y10-I54 HydrophobicContact CD2-CD1 3.98Å; Y10-I54 HydrophobicContact CD2-CG1 3.84Å; Y10-I54 HydrophobicContact CE2-CB 3.67Å; Y10-I54 HydrophobicContact CE2-CG1 4.45Å; Y10-I54 HydrophobicContact CE2-CG2 4.46Å; Y10-I54 HydrophobicContact CG-CD1 4.12Å; Y10-I54 HydrophobicContact CG-CG1 4.45Å; Y10-E57 VanDerWaalsContact OH-CA 3.25Å; Y10-E57 WeakPolarHBondContact OH-CA 3.37Å; Y10-E57 PolarHBondContact OH-N 3.37Å; Y10-E57 VanDerWaalsContact OH-N 3.11Å; Y10-A60 HydrophobicContact CD1-CB 4.16Å; Y10-A60 HydrophobicContact CE1-CB 3.96Å; Y10-I73 HydrophobicContact CD1-CD1 4.27Å; Y10-I73 HydrophobicContact CD1-CG1 4.37Å; Y10-I73 HydrophobicContact CG-CD1 4.22Å; Y10-F74 CarbonylContact C-O 3.57Å; Y10-F74 WeakPolarHBondContact CA-O 3.49Å; Y10-F74 WeakPolarHBondContact CB-O 3.27Å; Y10-E75 HydrophobicContact CD1-CB 4.35Å; Y10-E75 HydrophobicContact CE1-CB 4.2Å; Y10-I175 HydrophobicContact CD1-CG1 4.4Å; Y10-I175 HydrophobicContact CE1-CG1 4.24Å
11L96.3Very high77.3Confident1 Ų166.1 Ų66.11%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-112119.5172.8-18073.9000108.9F49 W50 I51 I73 F74 L76 L152 Y170L11-F49 HydrophobicContact CD1-CB 4.05Å; L11-F49 HydrophobicContact CD2-CD1 4.24Å; L11-W50 CarbonylContact C-O 3.6Å; L11-W50 WeakPolarHBondContact CA-O 3.45Å; L11-I51 HydrophobicContact CD1-CG1 3.78Å; L11-I73 CarbonylContact O-C 3.54Å; L11-I73 WeakPolarHBondContact O-CA 3.32Å; L11-F74 HydrophobicContact CB-CB 4.41Å; L11-F74 PolarHBondContact N-O 2.91Å; L11-F74 WeakPolarHBondContact O-CD2 3.33Å; L11-F74 PolarHBondContact O-N 3.11Å; L11-L76 HydrophobicContact CB-CB 4.45Å; L11-L76 HydrophobicContact CB-CD1 4.26Å; L11-L152 HydrophobicContact CD2-CD1 3.92Å; L11-L152 HydrophobicContact CD2-CD2 4.29Å; L11-L152 HydrophobicContact CD2-CG 4.47Å; L11-Y170 HydrophobicContact CD1-CD1 4.16Å; L11-Y170 HydrophobicContact CD1-CE1 4.29Å; L11-Y170 HydrophobicContact CD1-CG 4.33Å; L11-Y170 HydrophobicContact CD2-CD1 4.18Å; L11-Y170 HydrophobicContact CD2-CD2 4.01Å; L11-Y170 HydrophobicContact CD2-CG 3.65Å
12L96.3Very high80.2Confident0 Ų054.8 Ų54.80%031%0.312CS..EExtended strand (participates in β ladder)trans-89.2128.3166.7-72.5158.7000109.8M14 I26 F49 W50 L52 L63 M64 A70 I73L12-M14 HydrophobicContact CB-CG 4.28Å; L12-M14 HydrophobicContact CB-SD 3.69Å; L12-M14 HydrophobicContact CD1-SD 4.11Å; L12-M14 HydrophobicContact CD2-SD 4.46Å; L12-M14 HydrophobicContact CG-SD 4.34Å; L12-I26 HydrophobicContact CD1-CD1 4.14Å; L12-I26 HydrophobicContact CD1-CG2 4.43Å; L12-F49 CarbonylContact O-C 3.45Å; L12-F49 WeakPolarHBondContact O-CA 3.29Å; L12-W50 HydrophobicContact CB-CB 4.1Å; L12-W50 HydrophobicContact CD1-CE3 4.15Å; L12-W50 PolarHBondContact N-O 2.69Å; L12-W50 PolarHBondContact O-N 2.94Å; L12-L52 HydrophobicContact CD1-CD1 3.28Å; L12-L52 HydrophobicContact CD1-CG 4.08Å; L12-L52 HydrophobicContact CG-CD1 4.38Å; L12-L63 HydrophobicContact CD2-CD2 4.22Å; L12-M64 HydrophobicContact CD2-CE 4.44Å; L12-M64 HydrophobicContact CD2-SD 3.59Å; L12-M64 VanDerWaalsContact CD2-SD 3.59Å; L12-A70 HydrophobicContact CD2-CB 3.75Å; L12-I73 HydrophobicContact CD2-CB 3.88Å; L12-I73 HydrophobicContact CD2-CD1 3.79Å; L12-I73 HydrophobicContact CD2-CG1 3.79Å; L12-I73 HydrophobicContact CG-CD1 4.03Å; L12-I73 HydrophobicContact CG-CG1 4.03Å
13L96.8Very high83.3Confident19 Ų1952.7 Ų52.710%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-87.5108.5161.1174.460.4000108.1P48 F49 K71 S72 F74L13-P48 CarbonylContact C-O 3.52Å; L13-P48 WeakPolarHBondContact CA-O 3.34Å; L13-P48 HydrophobicContact CD1-CB 4.36Å; L13-F49 HydrophobicContact CD1-CD1 4.12Å; L13-F49 HydrophobicContact CD1-CE1 3.64Å; L13-F49 HydrophobicContact CD1-CZ 4.09Å; L13-K71 HydrophobicContact CD2-CB 4.36Å; L13-K71 HydrophobicContact CD2-CD 4.37Å; L13-K71 HydrophobicContact CG-CB 4.19Å; L13-K71 HydrophobicContact CG-CD 4.28Å; L13-K71 WeakPolarHBondContact O-CA 3.39Å; L13-K71 WeakPolarHBondContact O-CB 3.31Å; L13-K71 PolarHBondContact O-N 2.76Å; L13-S72 PolarHBondContact N-O 2.97Å; L13-S72 PolarHBondContact O-N 2.93Å; L13-F74 HydrophobicContact CB-CE2 4.07Å
14M95.9Very high86.2Confident1 Ų148 Ų481%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-90.2151.3-176.6-59.1-58.3-78.600112.1L12 R22 I26 Y44 P48 W50 C69 A70L12-M14 HydrophobicContact CB-CG 4.28Å; L12-M14 HydrophobicContact CB-SD 3.69Å; L12-M14 HydrophobicContact CD1-SD 4.11Å; L12-M14 HydrophobicContact CD2-SD 4.46Å; L12-M14 HydrophobicContact CG-SD 4.34Å; M14-R22 HydrophobicContact CE-CB 3.68Å; M14-R22 HydrophobicContact CE-CG 4.06Å; M14-I26 HydrophobicContact CE-CD1 4.33Å; M14-I26 HydrophobicContact CE-CG1 3.94Å; M14-Y44 WeakPolarHBondContact CB-OH 3.36Å; M14-Y44 HydrophobicContact CG-CE1 3.83Å; M14-Y44 WeakPolarHBondContact CG-OH 3.29Å; M14-P48 PolarHBondContact N-O 3.17Å; M14-W50 HydrophobicContact CE-CE3 4.26Å; M14-W50 HydrophobicContact CE-CZ3 4.48Å; M14-W50 HydrophobicContact CG-CB 4.39Å; M14-W50 HydrophobicContact SD-CE3 4.41Å; M14-C69 HydrophobicContact CE-CB 4.04Å; M14-A70 HydrophobicContact CE-CB 4.28Å; M14-A70 HydrophobicContact SD-CB 3.57Å; M14-A70 VanDerWaalsContact SD-CB 3.57Å
15A94.1Very high88.9Confident0 Ų042.7 Ų42.70%022%0.22CC..  trans-68.6148.4166.200000111.2E17 R22 C69 K71A15-E17 PolarHBondContact O-N 3.48Å; A15-R22 WeakPolarHBondContact O-CD 3.43Å; A15-R22 PolarHBondContact O-NH1 2.9Å; A15-C69 VanDerWaalsContact CB-O 3.31Å; A15-C69 WeakPolarHBondContact CB-O 3.33Å; A15-C69 PolarHBondContact N-O 3.16Å; A15-K71 HydrophobicContact CB-CG 4.44Å
16Q92.4Very high91.2Very high65 Ų6538.4 Ų38.430%0.30419%0.191SC..SBendtrans-95.844.5174.7-74.1-65.7-39.500110.6K46 S47 P48 F115Q16-K46 PolarHBondContact NE2-O 2.86Å; Q16-S47 PolarHBondContact NE2-O 3.19Å; Q16-P48 HydrophobicContact CG-CB 4.21Å; Q16-P48 VanDerWaalsContact NE2-CA 3.34Å; Q16-P48 VanDerWaalsContact NE2-N 3.19Å; Q16-F115 HydrophobicContact CG-CE2 3.62Å; Q16-F115 HydrophobicContact CG-CZ 3.72Å
17E90.9Very high92.7Very high97 Ų9736.3 Ų36.345%0.45317%0.172SC..SBendtrans-136.2154.8176.5-70.6164.7-154.100106.9A15 L19 R180A15-E17 PolarHBondContact O-N 3.48Å; E17-L19 VanDerWaalsContact C-N 3.25Å; E17-L19 PolarHBondContact O-N 2.9Å; E17-L19 VanDerWaalsContact O-N 3.16Å; E17-R180 VanDerWaalsContact CD-NH2 3.27Å; E17-R180 IonicContact OE1-NH2 3.25Å; E17-R180 PolarHBondContact OE1-NH2 2.94Å; E17-R180 IonicContact OE2-CZ 2.8Å; E17-R180 IonicContact OE2-NH1 3.9Å; E17-R180 IonicContact OE2-NH2 3.39Å; E17-R180 PolarHBondContact OE2-NH2 3.39Å
18H90.8Very high93.9Very high57 Ų5732.1 Ų32.126%0.26415%0.151SC..SBendtrans5144.5174.3-61.4-58.1000113E20 F21 I206H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 2.99Å; H18-E20 VanDerWaalsContact O-N 3.15Å; H18-F21 HydrophobicContact CB-CB 4.31Å; H18-F21 HydrophobicContact CB-CD2 3.53Å; H18-F21 HydrophobicContact CB-CE2 4.32Å; H18-F21 HydrophobicContact CB-CG 4.26Å; H18-F21 WeakPolarHBondContact O-CB 3.33Å; H18-F21 WeakPolarHBondContact O-CD2 3.24Å; H18-F21 PolarHBondContact O-N 3.41Å; H18-I206 HydrophobicContact CB-CD1 4.24Å
19L92.8Very high94.5Very high54 Ų5430.4 Ų30.428%0.28314%0.142SC..Hα-helixtrans-55.6-39-169.6-59.3-179.3000113.6E17 F21 R22 K46E17-L19 VanDerWaalsContact C-N 3.25Å; E17-L19 PolarHBondContact O-N 2.9Å; E17-L19 VanDerWaalsContact O-N 3.16Å; L19-F21 PolarHBondContact O-N 3.25Å; L19-R22 WeakPolarHBondContact O-CG 3.39Å; L19-R22 PolarHBondContact O-N 2.77Å; L19-K46 HydrophobicContact CD1-CB 4.38Å; L19-K46 HydrophobicContact CD1-CD 3.98Å; L19-K46 HydrophobicContact CD1-CG 4.07Å
20E92.6Very high94.6Very high94 Ų9425.4 Ų25.444%0.43912%0.123SC..Hα-helixtrans-66.1-21179.6-62.1-62.7116.600113.6H18 P24 C395 E396H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 2.99Å; H18-E20 VanDerWaalsContact O-N 3.15Å; E20-P24 WeakPolarHBondContact O-CD 3.43Å; E20-C395 HydrophobicContact CB-CB 4.21Å; E20-C395 PolarHBondContact O-SG 3.4Å; E20-E396 HydrophobicContact CG-CB 4.38Å
21F95Very high94.5Very high3 Ų328.1 Ų28.11%0.01314%0.142CC..Hα-helixtrans-92.1-20.2-175.8-56-84.7000112.4H18 L19 L23 E25 I206 W370 C395 Q397 L407H18-F21 HydrophobicContact CB-CB 4.31Å; H18-F21 HydrophobicContact CB-CD2 3.53Å; H18-F21 HydrophobicContact CB-CE2 4.32Å; H18-F21 HydrophobicContact CB-CG 4.26Å; H18-F21 WeakPolarHBondContact O-CB 3.33Å; H18-F21 WeakPolarHBondContact O-CD2 3.24Å; H18-F21 PolarHBondContact O-N 3.41Å; L19-F21 PolarHBondContact O-N 3.25Å; F21-L23 PolarHBondContact O-N 2.93Å; F21-E25 VanDerWaalsContact O-CB 3.24Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 3.14Å; F21-I206 HydrophobicContact CB-CD1 4.19Å; F21-I206 HydrophobicContact CB-CG2 3.99Å; F21-I206 HydrophobicContact CD1-CG2 3.96Å; F21-I206 HydrophobicContact CG-CD1 4.46Å; F21-I206 HydrophobicContact CG-CG2 4.25Å; F21-W370 AromaticContact CE1-CH2 3.54Å; F21-W370 HydrophobicContact CE1-CH2 3.54Å; F21-W370 HydrophobicContact CE1-CZ2 4.39Å; F21-W370 HydrophobicContact CE1-CZ3 4.14Å; F21-W370 AromaticContact CZ-CH2 3.53Å; F21-W370 HydrophobicContact CZ-CH2 3.53Å; F21-W370 HydrophobicContact CZ-CZ3 4.07Å; F21-C395 HydrophobicContact CD1-CB 3.67Å; F21-C395 HydrophobicContact CE1-CB 3.49Å; F21-C395 VanDerWaalsContact CE1-CB 3.49Å; F21-C395 HydrophobicContact CG-CB 4.37Å; F21-C395 HydrophobicContact CZ-CB 4.07Å; F21-Q397 HydrophobicContact CE2-CB 4.4Å; F21-Q397 HydrophobicContact CZ-CB 3.99Å; F21-L407 HydrophobicContact CD1-CB 4.45Å; F21-L407 HydrophobicContact CD1-CD2 3.8Å; F21-L407 HydrophobicContact CE1-CB 3.71Å; F21-L407 HydrophobicContact CE1-CD2 3.78Å; F21-L407 HydrophobicContact CE1-CG 4.4Å
22R94.6Very high94.4Very high4 Ų430.1 Ų30.12%0.01515%0.152CC..Hα-helixtrans-58.2-51.9-173-59.3-168.7-59.7166.211.4112.2M14 A15 L19 I26 G45 S47 C69M14-R22 HydrophobicContact CE-CB 3.68Å; M14-R22 HydrophobicContact CE-CG 4.06Å; A15-R22 WeakPolarHBondContact O-CD 3.43Å; A15-R22 PolarHBondContact O-NH1 2.9Å; L19-R22 WeakPolarHBondContact O-CG 3.39Å; L19-R22 PolarHBondContact O-N 2.77Å; R22-I26 WeakPolarHBondContact O-CB 3.45Å; R22-I26 WeakPolarHBondContact O-CG1 3.16Å; R22-I26 PolarHBondContact O-N 2.87Å; R22-I26 VanDerWaalsContact O-N 3.12Å; R22-G45 PolarHBondContact NH2-O 3Å; R22-S47 PolarHBondContact NH1-O 2.87Å; R22-S47 PolarHBondContact NH2-O 2.85Å; R22-C69 HydrophobicContact CB-CB 4.42Å; R22-C69 HydrophobicContact CG-CB 4.03Å
23L93.8Very high94.2Very high51 Ų5132.9 Ų32.927%0.26717%0.165SC..Hα-helixtrans-66.5-49.9-177.5163.670.8000111.8F21 E25 I26 K27 F37 W50F21-L23 PolarHBondContact O-N 2.93Å; L23-E25 PolarHBondContact O-N 2.93Å; L23-I26 PolarHBondContact O-N 2.96Å; L23-K27 HydrophobicContact CD1-CD 3.8Å; L23-K27 HydrophobicContact CD1-CG 4.05Å; L23-K27 HydrophobicContact CG-CD 4.18Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.18Å; L23-K27 PolarHBondContact O-N 3.06Å; L23-F37 HydrophobicContact CD1-CE1 4.04Å; L23-F37 HydrophobicContact CD1-CZ 3.86Å; L23-W50 HydrophobicContact CB-CH2 3.91Å; L23-W50 HydrophobicContact CD1-CH2 3.42Å; L23-W50 VanDerWaalsContact CD1-CH2 3.42Å; L23-W50 HydrophobicContact CD1-CZ2 3.64Å; L23-W50 HydrophobicContact CG-CH2 4.28Å
24P95.1Very high93.7Very high20 Ų2035 Ų3513%0.1319%0.192CC..Hα-helixtrans-65.5-34.3178.5-31.744.5000114.8E20 S28 H210 C395E20-P24 WeakPolarHBondContact O-CD 3.43Å; P24-S28 WeakPolarHBondContact O-CB 3.41Å; P24-S28 PolarHBondContact O-N 2.98Å; P24-S28 PolarHBondContact O-OG 2.87Å; P24-H210 VanDerWaalsContact CB-CE1 3.43Å; P24-H210 WeakPolarHBondContact CB-CE1 3.43Å; P24-C395 VanDerWaalsContact CG-SG 3.55Å
25E96.8Very high93.1Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-62.4-53.1173.6-170.1-165-141.300110.2F21 L23 K27 S28 L29 T67 V68 C69 N209F21-E25 VanDerWaalsContact O-CB 3.24Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 3.14Å; L23-E25 PolarHBondContact O-N 2.93Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.25Å; E25-S28 PolarHBondContact O-N 2.94Å; E25-S28 VanDerWaalsContact O-N 3.11Å; E25-L29 HydrophobicContact CG-CD1 4.11Å; E25-L29 WeakPolarHBondContact O-CG 3.25Å; E25-L29 PolarHBondContact O-N 3.3Å; E25-T67 PolarHBondContact OE2-OG1 2.96Å; E25-V68 PolarHBondContact OE1-N 3.09Å; E25-V68 VanDerWaalsContact OE1-N 3.16Å; E25-C69 WeakPolarHBondContact OE2-CB 3.35Å; E25-C69 PolarHBondContact OE2-N 3.15Å; E25-C69 PolarHBondContact OE2-SG 3.35Å; E25-C69 VanDerWaalsContact OE2-SG 3.35Å; E25-N209 HydrophobicContact CG-CB 3.76Å; E25-N209 PolarHBondContact OE1-ND2 2.88Å
26I95.4Very high92.4Very high0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-62-41-178.5-66.9-64.7000111.5L12 M14 R22 L23 S28 L29 L30 F37 W50 L52 L63L12-I26 HydrophobicContact CD1-CD1 4.14Å; L12-I26 HydrophobicContact CD1-CG2 4.43Å; M14-I26 HydrophobicContact CE-CD1 4.33Å; M14-I26 HydrophobicContact CE-CG1 3.94Å; R22-I26 WeakPolarHBondContact O-CB 3.45Å; R22-I26 WeakPolarHBondContact O-CG1 3.16Å; R22-I26 PolarHBondContact O-N 2.87Å; R22-I26 VanDerWaalsContact O-N 3.12Å; L23-I26 PolarHBondContact O-N 2.96Å; I26-S28 VanDerWaalsContact C-N 3.35Å; I26-S28 PolarHBondContact O-N 3.02Å; I26-L29 PolarHBondContact O-N 2.97Å; I26-L30 HydrophobicContact CG2-CD1 3.94Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 WeakPolarHBondContact O-CG 3.46Å; I26-L30 PolarHBondContact O-N 3.45Å; I26-F37 HydrophobicContact CG2-CE2 4.25Å; I26-W50 HydrophobicContact CB-CH2 4.22Å; I26-W50 HydrophobicContact CB-CZ3 3.76Å; I26-W50 HydrophobicContact CG1-CE3 4.44Å; I26-W50 HydrophobicContact CG1-CZ3 3.79Å; I26-W50 HydrophobicContact CG2-CH2 4.12Å; I26-W50 HydrophobicContact CG2-CZ3 3.81Å; I26-L52 HydrophobicContact CG2-CD1 3.79Å; I26-L63 HydrophobicContact CD1-CD1 4.11Å; I26-L63 HydrophobicContact CD1-CD2 3.82Å; I26-L63 HydrophobicContact CD1-CG 4.31Å; I26-L63 HydrophobicContact CG2-CD1 4.24Å
27K94.5Very high91.8Very high62 Ų6242.4 Ų42.427%0.2723%0.227SC..Hα-helixtrans-59.4-44.1173.2-83.1178.4162-178.50112.2L23 E25 S31 F37 E42L23-K27 HydrophobicContact CD1-CD 3.8Å; L23-K27 HydrophobicContact CD1-CG 4.05Å; L23-K27 HydrophobicContact CG-CD 4.18Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.18Å; L23-K27 PolarHBondContact O-N 3.06Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.25Å; K27-S31 WeakPolarHBondContact O-CB 3.24Å; K27-S31 PolarHBondContact O-N 2.73Å; K27-F37 HydrophobicContact CD-CD1 4.33Å; K27-F37 HydrophobicContact CD-CG 4.48Å; K27-F37 VanDerWaalsContact CE-CD1 3.41Å; K27-F37 HydrophobicContact CG-CB 4.26Å; K27-F37 HydrophobicContact CG-CD1 3.98Å; K27-F37 HydrophobicContact CG-CD2 3.73Å; K27-F37 HydrophobicContact CG-CE1 4.33Å; K27-F37 HydrophobicContact CG-CE2 4.11Å; K27-F37 HydrophobicContact CG-CG 3.69Å; K27-F37 HydrophobicContact CG-CZ 4.42Å; K27-E42 WeakPolarHBondContact CE-OE1 3.34Å; K27-E42 IonicContact NZ-OE1 3.49Å; K27-E42 PolarHBondContact NZ-OE1 3.44Å; K27-E42 IonicContact NZ-OE2 2.93Å
28S96.2Very high91.1Very high4 Ų439.7 Ų39.73%0.02822%0.221CC..Hα-helixtrans-66.4-42.7-179.2-60.50000111.6P24 E25 I26 S31 L32 N209 R366P24-S28 WeakPolarHBondContact O-CB 3.41Å; P24-S28 PolarHBondContact O-N 2.98Å; P24-S28 PolarHBondContact O-OG 2.87Å; E25-S28 PolarHBondContact O-N 2.94Å; E25-S28 VanDerWaalsContact O-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.35Å; I26-S28 PolarHBondContact O-N 3.02Å; S28-S31 PolarHBondContact O-N 3.35Å; S28-L32 WeakPolarHBondContact O-CB 3.12Å; S28-L32 PolarHBondContact O-N 2.93Å; S28-N209 WeakPolarHBondContact CB-O 3.48Å; S28-R366 PolarHBondContact OG-NH1 3.11Å
29L96.8Very high89.9Confident0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-67.6-43.8177.5-69.1177.2000112.8E25 I26 S31 L32 F33 L63 R66 N209E25-L29 HydrophobicContact CG-CD1 4.11Å; E25-L29 WeakPolarHBondContact O-CG 3.25Å; E25-L29 PolarHBondContact O-N 3.3Å; I26-L29 PolarHBondContact O-N 2.97Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 2.97Å; L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.11Å; L29-F33 HydrophobicContact CD2-CE2 4.45Å; L29-F33 WeakPolarHBondContact O-CD2 3.49Å; L29-F33 PolarHBondContact O-N 3.13Å; L29-F33 VanDerWaalsContact O-N 3.14Å; L29-L63 HydrophobicContact CB-CD1 4.2Å; L29-L63 HydrophobicContact CB-CG 4.19Å; L29-L63 HydrophobicContact CD1-CG 4.32Å; L29-R66 HydrophobicContact CD1-CB 4.05Å; L29-R66 HydrophobicContact CD2-CB 3.68Å; L29-R66 HydrophobicContact CD2-CG 4.33Å; L29-N209 HydrophobicContact CD2-CB 4.06Å; L29-N209 HydrophobicContact CG-CB 4.3Å
30L94.2Very high88.6Confident0 Ų043.1 Ų43.10%026%0.256CS..Hα-helixtrans-60.2-46.3175.3-77.9169.9000110.9I26 L32 F33 G34 G35 F37 L52 I54 I59 L63I26-L30 HydrophobicContact CG2-CD1 3.94Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 WeakPolarHBondContact O-CG 3.46Å; I26-L30 PolarHBondContact O-N 3.45Å; L30-L32 VanDerWaalsContact C-N 3.28Å; L30-L32 PolarHBondContact O-N 3.36Å; L30-F33 PolarHBondContact O-N 3.31Å; L30-G34 PolarHBondContact O-N 3.07Å; L30-G35 WeakPolarHBondContact O-CA 3.4Å; L30-G35 PolarHBondContact O-N 2.72Å; L30-F37 HydrophobicContact CD1-CD2 3.58Å; L30-F37 HydrophobicContact CD1-CE2 4.05Å; L30-L52 HydrophobicContact CD1-CD1 4.35Å; L30-I54 HydrophobicContact CD2-CD1 4.44Å; L30-I54 HydrophobicContact CD2-CG1 4.35Å; L30-I54 HydrophobicContact CD2-CG2 4.26Å; L30-I59 HydrophobicContact CD2-CG2 3.85Å; L30-L63 HydrophobicContact CD1-CD1 4.41Å; L30-L63 HydrophobicContact CD2-CD1 3.77Å; L30-L63 HydrophobicContact CG-CD1 3.64Å
31S93.4Very high87.6Confident59 Ų5939.2 Ų39.241%0.41324%0.238SC..Hα-helixtrans-62.2-35.4176.9176.80000112.7K27 S28 L29 G34 K212K27-S31 WeakPolarHBondContact O-CB 3.24Å; K27-S31 PolarHBondContact O-N 2.73Å; S28-S31 PolarHBondContact O-N 3.35Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 2.97Å; S31-G34 PolarHBondContact O-N 3.04Å; S31-K212 WeakPolarHBondContact OG-CE 3.42Å; S31-K212 PolarHBondContact OG-NZ 3.28Å
32L94.4Very high86.1Confident42 Ų4243.4 Ų43.422%0.2226%0.258CS..Hα-helixtrans-64.3-38.3176.7176.764000112.5S28 L29 L30 G34 K212 K214S28-L32 WeakPolarHBondContact O-CB 3.12Å; S28-L32 PolarHBondContact O-N 2.93Å; L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.11Å; L30-L32 VanDerWaalsContact C-N 3.28Å; L30-L32 PolarHBondContact O-N 3.36Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 3.41Å; L32-K212 HydrophobicContact CB-CG 4.42Å; L32-K212 HydrophobicContact CD1-CB 4.3Å; L32-K214 HydrophobicContact CD1-CB 4.39Å; L32-K214 HydrophobicContact CD1-CD 4.35Å
33F92.6Very high84.5Confident59 Ų5949.1 Ų49.126%0.25929%0.293SS..THydrogen-bonded Turntrans-92.415.7-179.1-60.7-58.8000113.8L29 L30 G35 I59 N62 R66L29-F33 HydrophobicContact CD2-CE2 4.45Å; L29-F33 WeakPolarHBondContact O-CD2 3.49Å; L29-F33 PolarHBondContact O-N 3.13Å; L29-F33 VanDerWaalsContact O-N 3.14Å; L30-F33 PolarHBondContact O-N 3.31Å; F33-G35 VanDerWaalsContact C-N 3.29Å; F33-G35 PolarHBondContact O-N 2.99Å; F33-I59 HydrophobicContact CB-CG2 4.28Å; F33-N62 HydrophobicContact CD1-CB 3.82Å; F33-N62 HydrophobicContact CD2-CB 3.93Å; F33-N62 HydrophobicContact CE1-CB 3.81Å; F33-N62 HydrophobicContact CE2-CB 3.94Å; F33-N62 WeakPolarHBondContact CE2-O 3.01Å; F33-N62 HydrophobicContact CG-CB 3.87Å; F33-N62 HydrophobicContact CZ-CB 3.86Å; F33-N62 WeakPolarHBondContact CZ-O 3.46Å; F33-R66 HydrophobicContact CZ-CG 4.2Å
34G84.9Confident83.2Confident64 Ų6448.1 Ų48.166%0.6629%0.286SS*.THydrogen-bonded Turntrans76.411.5177.700000114.8L30 S31 L32L30-G34 PolarHBondContact O-N 3.07Å; S31-G34 PolarHBondContact O-N 3.04Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 3.41Å
35G83.7Confident82.2Confident7 Ų750 Ų507%0.07231%0.308CS..  trans-77.4152.2170.300000112.1L30 F33L30-G35 WeakPolarHBondContact O-CA 3.4Å; L30-G35 PolarHBondContact O-N 2.72Å; F33-G35 VanDerWaalsContact C-N 3.29Å; F33-G35 PolarHBondContact O-N 2.99Å
36Q79.8Confident81.4Confident169 Ų16955.9 Ų55.979%0.7933%0.334SS*.  trans-104.1145.7170.1-65.5-174.60.300110.1
37F80.3Confident81.1Confident45 Ų4557.2 Ų57.220%0.19734%0.343CS..  trans-105.1116.8175.3-160.3-84.8000108.9L23 I26 K27 L30 Q41 E42 W50 L52L23-F37 HydrophobicContact CD1-CE1 4.04Å; L23-F37 HydrophobicContact CD1-CZ 3.86Å; I26-F37 HydrophobicContact CG2-CE2 4.25Å; K27-F37 HydrophobicContact CD-CD1 4.33Å; K27-F37 HydrophobicContact CD-CG 4.48Å; K27-F37 VanDerWaalsContact CE-CD1 3.41Å; K27-F37 HydrophobicContact CG-CB 4.26Å; K27-F37 HydrophobicContact CG-CD1 3.98Å; K27-F37 HydrophobicContact CG-CD2 3.73Å; K27-F37 HydrophobicContact CG-CE1 4.33Å; K27-F37 HydrophobicContact CG-CE2 4.11Å; K27-F37 HydrophobicContact CG-CG 3.69Å; K27-F37 HydrophobicContact CG-CZ 4.42Å; L30-F37 HydrophobicContact CD1-CD2 3.58Å; L30-F37 HydrophobicContact CD1-CE2 4.05Å; F37-Q41 HydrophobicContact CD1-CB 4.26Å; F37-Q41 HydrophobicContact CE1-CB 3.46Å; F37-Q41 VanDerWaalsContact CE1-CB 3.46Å; F37-Q41 HydrophobicContact CE2-CB 4.19Å; F37-Q41 HydrophobicContact CZ-CB 3.38Å; F37-E42 HydrophobicContact CD1-CG 3.99Å; F37-E42 HydrophobicContact CE1-CB 4.43Å; F37-E42 HydrophobicContact CE1-CG 3.56Å; F37-W50 HydrophobicContact CE1-CZ2 4.49Å; F37-W50 HydrophobicContact CE2-CH2 4.05Å; F37-W50 AromaticContact CE2-CZ2 3.99Å; F37-W50 HydrophobicContact CE2-CZ2 3.99Å; F37-W50 AromaticContact CZ-CH2 3.86Å; F37-W50 HydrophobicContact CZ-CH2 3.86Å; F37-W50 AromaticContact CZ-CZ2 3.43Å; F37-W50 HydrophobicContact CZ-CZ2 3.43Å; F37-W50 VanDerWaalsContact CZ-CZ2 3.43Å; F37-L52 HydrophobicContact CE2-CD2 3.77Å; F37-L52 HydrophobicContact CZ-CD2 3.92Å
38A74.7Confident81Confident40 Ų4054.3 Ų54.333%0.33133%0.331SS..  trans-79.3145.717700000111S40 Q41A38-S40 PolarHBondContact O-N 3.13Å; A38-Q41 HydrophobicContact CB-CG 4.28Å; A38-Q41 VanDerWaalsContact O-CB 3.32Å; A38-Q41 WeakPolarHBondContact O-CB 3.48Å; A38-Q41 PolarHBondContact O-N 3.11Å
39S66.4Low80.9Confident93 Ų9354.5 Ų54.565%0.6533%0.331SS*.G310 helixtrans-59.1-33.517952.60000113Q41 E42S39-Q41 PolarHBondContact O-N 2.96Å; S39-Q41 VanDerWaalsContact O-N 3.15Å; S39-E42 VanDerWaalsContact O-CB 3.31Å; S39-E42 WeakPolarHBondContact O-CB 3.23Å; S39-E42 WeakPolarHBondContact O-CG 3.26Å; S39-E42 PolarHBondContact O-N 3.48Å
40S64.4Low80.8Confident90 Ų9054.8 Ų54.863%0.62933%0.332SS*.G310 helixtrans-62.8-19175.562.80000113.7A38 E42 T43A38-S40 PolarHBondContact O-N 3.13Å; S40-E42 VanDerWaalsContact C-N 3.34Å; S40-T43 PolarHBondContact O-OG1 3.32Å
41Q72.6Confident80.7Confident12 Ų1257 Ų576%0.05634%0.344CS..G310 helixtrans-85-9.3177.8-62.2170-88.300112.1F37 A38 S39 W50 L52 S53F37-Q41 HydrophobicContact CD1-CB 4.26Å; F37-Q41 HydrophobicContact CE1-CB 3.46Å; F37-Q41 VanDerWaalsContact CE1-CB 3.46Å; F37-Q41 HydrophobicContact CE2-CB 4.19Å; F37-Q41 HydrophobicContact CZ-CB 3.38Å; A38-Q41 HydrophobicContact CB-CG 4.28Å; A38-Q41 VanDerWaalsContact O-CB 3.32Å; A38-Q41 WeakPolarHBondContact O-CB 3.48Å; A38-Q41 PolarHBondContact O-N 3.11Å; S39-Q41 PolarHBondContact O-N 2.96Å; S39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-W50 WeakPolarHBondContact O-CZ2 3.36Å; Q41-W50 PolarHBondContact O-NE1 3.36Å; Q41-L52 HydrophobicContact CB-CD2 3.74Å; Q41-L52 HydrophobicContact CG-CD2 4.01Å; Q41-L52 VanDerWaalsContact NE2-CB 3.33Å; Q41-S53 PolarHBondContact NE2-O 3.13Å; Q41-S53 VanDerWaalsContact NE2-O 3.16Å
42E63Low80.6Confident91 Ų9154.2 Ų54.243%0.42532%0.324SS..THydrogen-bonded Turntrans-76.1-20.3-175.3-62-175.2166.300113.7K27 F37 S39 S40 Y44K27-E42 WeakPolarHBondContact CE-OE1 3.34Å; K27-E42 IonicContact NZ-OE1 3.49Å; K27-E42 PolarHBondContact NZ-OE1 3.44Å; K27-E42 IonicContact NZ-OE2 2.93Å; F37-E42 HydrophobicContact CD1-CG 3.99Å; F37-E42 HydrophobicContact CE1-CB 4.43Å; F37-E42 HydrophobicContact CE1-CG 3.56Å; S39-E42 VanDerWaalsContact O-CB 3.31Å; S39-E42 WeakPolarHBondContact O-CB 3.23Å; S39-E42 WeakPolarHBondContact O-CG 3.26Å; S39-E42 PolarHBondContact O-N 3.48Å; S40-E42 VanDerWaalsContact C-N 3.34Å; E42-Y44 PolarHBondContact O-N 3.21Å; E42-Y44 VanDerWaalsContact O-N 3.15Å
43T60.8Low80.4Confident124 Ų12454 Ų5476%0.76133%0.326SS*.THydrogen-bonded Turntrans-84.221-171.446.70000115S40 G45S40-T43 PolarHBondContact O-OG1 3.32Å; T43-G45 VanDerWaalsContact C-N 3.28Å; T43-G45 PolarHBondContact O-N 3.31Å
44Y66.8Low80.3Confident30 Ų3051.1 Ų51.112%0.11831%0.313CS..  trans-66.7-18.3-172.3171.3-124.9000116.2M14 E42 S47 P48 F49 W50M14-Y44 WeakPolarHBondContact CB-OH 3.36Å; M14-Y44 HydrophobicContact CG-CE1 3.83Å; M14-Y44 WeakPolarHBondContact CG-OH 3.29Å; E42-Y44 PolarHBondContact O-N 3.21Å; E42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-S47 PolarHBondContact OH-O 2.97Å; Y44-P48 WeakPolarHBondContact OH-CA 3.35Å; Y44-P48 PolarHBondContact OH-O 3.43Å; Y44-F49 WeakPolarHBondContact CE2-O 3.35Å; Y44-F49 PolarHBondContact OH-N 3.42Å; Y44-W50 VanDerWaalsContact CB-CE2 3.46Å; Y44-W50 HydrophobicContact CD1-CB 3.9Å; Y44-W50 AromaticContact CD1-CD2 3.3Å; Y44-W50 HydrophobicContact CD1-CD2 3.3Å; Y44-W50 AromaticContact CD1-CE2 3.71Å; Y44-W50 AromaticContact CD1-CE3 3.59Å; Y44-W50 HydrophobicContact CD1-CE3 3.59Å; Y44-W50 AromaticContact CD1-CG 3.48Å; Y44-W50 HydrophobicContact CD1-CG 3.48Å; Y44-W50 VanDerWaalsContact CD1-CG 3.48Å; Y44-W50 HydrophobicContact CD1-CZ2 4.27Å; Y44-W50 HydrophobicContact CD1-CZ3 4.25Å; Y44-W50 HydrophobicContact CD2-CB 3.57Å; Y44-W50 AromaticContact CD2-CD1 3.47Å; Y44-W50 VanDerWaalsContact CD2-CD1 3.47Å; Y44-W50 HydrophobicContact CD2-CD2 4.16Å; Y44-W50 AromaticContact CD2-CG 3.43Å; Y44-W50 HydrophobicContact CD2-CG 3.43Å; Y44-W50 VanDerWaalsContact CD2-CG 3.43Å; Y44-W50 HydrophobicContact CE1-CB 3.64Å; Y44-W50 AromaticContact CE1-CD2 3.75Å; Y44-W50 HydrophobicContact CE1-CD2 3.75Å; Y44-W50 AromaticContact CE1-CE3 3.76Å; Y44-W50 HydrophobicContact CE1-CE3 3.76Å; Y44-W50 AromaticContact CE1-CG 3.75Å; Y44-W50 HydrophobicContact CE1-CG 3.75Å; Y44-W50 HydrophobicContact CE2-CB 3.37Å; Y44-W50 AromaticContact CE2-CG 3.79Å; Y44-W50 HydrophobicContact CE2-CG 3.79Å; Y44-W50 HydrophobicContact CG-CB 3.84Å; Y44-W50 AromaticContact CG-CD1 3.35Å; Y44-W50 AromaticContact CG-CD2 3.5Å; Y44-W50 HydrophobicContact CG-CD2 3.5Å; Y44-W50 VanDerWaalsContact CG-CD2 3.5Å; Y44-W50 AromaticContact CG-CE2 3.62Å; Y44-W50 HydrophobicContact CG-CE3 4.26Å; Y44-W50 AromaticContact CG-CG 3.27Å; Y44-W50 HydrophobicContact CG-CG 3.27Å; Y44-W50 HydrophobicContact CG-CZ2 4.42Å; Y44-W50 AromaticContact CG-NE1 3.58Å; Y44-W50 AromaticContact CZ-CG 3.86Å; Y44-W50 PolarHBondContact OH-N 2.97Å
45G73.5Confident80.5Confident58 Ų5849.6 Ų49.660%0.59829%0.292SS*.THydrogen-bonded Turntrans59.2-143.1177.100000113.6R22 T43R22-G45 PolarHBondContact NH2-O 3Å; T43-G45 VanDerWaalsContact C-N 3.28Å; T43-G45 PolarHBondContact O-N 3.31Å
46K81.2Confident80.9Confident125 Ų12551 Ų5154%0.54330%0.3SS..THydrogen-bonded Turntrans-99.34.9-176.8-65.9-175.9179.9176.10114.3Q16 L19 L157Q16-K46 PolarHBondContact NE2-O 2.86Å; L19-K46 HydrophobicContact CD1-CB 4.38Å; L19-K46 HydrophobicContact CD1-CD 3.98Å; L19-K46 HydrophobicContact CD1-CG 4.07Å; K46-L157 HydrophobicContact CB-CD1 3.9Å
47S88.9Confident81.5Confident27 Ų2745.3 Ų45.319%0.18927%0.274CS..  trans-56.8152.5177.8173.20000110.9Q16 R22 Y44 F49Q16-S47 PolarHBondContact NE2-O 3.19Å; R22-S47 PolarHBondContact NH1-O 2.87Å; R22-S47 PolarHBondContact NH2-O 2.85Å; Y44-S47 PolarHBondContact OH-O 2.97Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact OG-N 3.33Å
48P92.6Very high82.2Confident1 Ų148.5 Ų48.51%0.00629%0.293CS..SBendtrans-81.9-3.916726.3-25000113.4L13 M14 Q16 Y44 F115L13-P48 CarbonylContact C-O 3.52Å; L13-P48 WeakPolarHBondContact CA-O 3.34Å; L13-P48 HydrophobicContact CD1-CB 4.36Å; M14-P48 PolarHBondContact N-O 3.17Å; Q16-P48 HydrophobicContact CG-CB 4.21Å; Q16-P48 VanDerWaalsContact NE2-CA 3.34Å; Q16-P48 VanDerWaalsContact NE2-N 3.19Å; Y44-P48 WeakPolarHBondContact OH-CA 3.35Å; Y44-P48 PolarHBondContact OH-O 3.43Å; P48-F115 HydrophobicContact CB-CD2 4.03Å; P48-F115 HydrophobicContact CB-CE2 4.13Å; P48-F115 HydrophobicContact CB-CG 4.36Å; P48-F115 HydrophobicContact CG-CB 4.21Å; P48-F115 HydrophobicContact CG-CD1 3.58Å; P48-F115 HydrophobicContact CG-CD2 3.64Å; P48-F115 HydrophobicContact CG-CE1 3.79Å; P48-F115 HydrophobicContact CG-CE2 3.86Å; P48-F115 HydrophobicContact CG-CG 3.5Å; P48-F115 HydrophobicContact CG-CZ 3.94Å
49F94Very high83.2Confident8 Ų847.6 Ų47.64%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-121.497.5-172.3-67.6-70.3000113.7L11 L12 L13 Y44 S47 F115 L152 D154 Y170L11-F49 HydrophobicContact CD1-CB 4.05Å; L11-F49 HydrophobicContact CD2-CD1 4.24Å; L12-F49 CarbonylContact O-C 3.45Å; L12-F49 WeakPolarHBondContact O-CA 3.29Å; L13-F49 HydrophobicContact CD1-CD1 4.12Å; L13-F49 HydrophobicContact CD1-CE1 3.64Å; L13-F49 HydrophobicContact CD1-CZ 4.09Å; Y44-F49 WeakPolarHBondContact CE2-O 3.35Å; Y44-F49 PolarHBondContact OH-N 3.42Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact OG-N 3.33Å; F49-F115 HydrophobicContact CE2-CB 3.66Å; F49-F115 HydrophobicContact CE2-CG 4.38Å; F49-F115 HydrophobicContact CZ-CB 3.95Å; F49-L152 HydrophobicContact CD1-CB 4.41Å; F49-L152 HydrophobicContact CD1-CD2 4.38Å; F49-L152 HydrophobicContact CE1-CB 3.69Å; F49-L152 HydrophobicContact CE1-CD2 3.73Å; F49-L152 HydrophobicContact CE1-CG 4.36Å; F49-L152 HydrophobicContact CZ-CB 4.26Å; F49-D154 HydrophobicContact CD2-CB 3.56Å; F49-D154 HydrophobicContact CE2-CB 3.5Å; F49-Y170 HydrophobicContact CB-CE2 3.76Å; F49-Y170 HydrophobicContact CD1-CD2 4.19Å; F49-Y170 HydrophobicContact CD1-CE2 4.12Å; F49-Y170 HydrophobicContact CD2-CE2 4.1Å; F49-Y170 HydrophobicContact CG-CD2 4.27Å; F49-Y170 AromaticContact CG-CE2 3.73Å; F49-Y170 HydrophobicContact CG-CE2 3.73Å
50W93.6Very high84.6Confident6 Ų643.2 Ų43.22%0.02325%0.251CS..EExtended strand (participates in β ladder)trans-101.5116.3-174.9-158.8-8000112.2L11 L12 M14 L23 I26 F37 Q41 Y44 L52L11-W50 CarbonylContact C-O 3.6Å; L11-W50 WeakPolarHBondContact CA-O 3.45Å; L12-W50 HydrophobicContact CB-CB 4.1Å; L12-W50 HydrophobicContact CD1-CE3 4.15Å; L12-W50 PolarHBondContact N-O 2.69Å; L12-W50 PolarHBondContact O-N 2.94Å; M14-W50 HydrophobicContact CE-CE3 4.26Å; M14-W50 HydrophobicContact CE-CZ3 4.48Å; M14-W50 HydrophobicContact CG-CB 4.39Å; M14-W50 HydrophobicContact SD-CE3 4.41Å; L23-W50 HydrophobicContact CB-CH2 3.91Å; L23-W50 HydrophobicContact CD1-CH2 3.42Å; L23-W50 VanDerWaalsContact CD1-CH2 3.42Å; L23-W50 HydrophobicContact CD1-CZ2 3.64Å; L23-W50 HydrophobicContact CG-CH2 4.28Å; I26-W50 HydrophobicContact CB-CH2 4.22Å; I26-W50 HydrophobicContact CB-CZ3 3.76Å; I26-W50 HydrophobicContact CG1-CE3 4.44Å; I26-W50 HydrophobicContact CG1-CZ3 3.79Å; I26-W50 HydrophobicContact CG2-CH2 4.12Å; I26-W50 HydrophobicContact CG2-CZ3 3.81Å; F37-W50 HydrophobicContact CE1-CZ2 4.49Å; F37-W50 HydrophobicContact CE2-CH2 4.05Å; F37-W50 AromaticContact CE2-CZ2 3.99Å; F37-W50 HydrophobicContact CE2-CZ2 3.99Å; F37-W50 AromaticContact CZ-CH2 3.86Å; F37-W50 HydrophobicContact CZ-CH2 3.86Å; F37-W50 AromaticContact CZ-CZ2 3.43Å; F37-W50 HydrophobicContact CZ-CZ2 3.43Å; F37-W50 VanDerWaalsContact CZ-CZ2 3.43Å; Q41-W50 WeakPolarHBondContact O-CZ2 3.36Å; Q41-W50 PolarHBondContact O-NE1 3.36Å; Y44-W50 VanDerWaalsContact CB-CE2 3.46Å; Y44-W50 HydrophobicContact CD1-CB 3.9Å; Y44-W50 AromaticContact CD1-CD2 3.3Å; Y44-W50 HydrophobicContact CD1-CD2 3.3Å; Y44-W50 AromaticContact CD1-CE2 3.71Å; Y44-W50 AromaticContact CD1-CE3 3.59Å; Y44-W50 HydrophobicContact CD1-CE3 3.59Å; Y44-W50 AromaticContact CD1-CG 3.48Å; Y44-W50 HydrophobicContact CD1-CG 3.48Å; Y44-W50 VanDerWaalsContact CD1-CG 3.48Å; Y44-W50 HydrophobicContact CD1-CZ2 4.27Å; Y44-W50 HydrophobicContact CD1-CZ3 4.25Å; Y44-W50 HydrophobicContact CD2-CB 3.57Å; Y44-W50 AromaticContact CD2-CD1 3.47Å; Y44-W50 VanDerWaalsContact CD2-CD1 3.47Å; Y44-W50 HydrophobicContact CD2-CD2 4.16Å; Y44-W50 AromaticContact CD2-CG 3.43Å; Y44-W50 HydrophobicContact CD2-CG 3.43Å; Y44-W50 VanDerWaalsContact CD2-CG 3.43Å; Y44-W50 HydrophobicContact CE1-CB 3.64Å; Y44-W50 AromaticContact CE1-CD2 3.75Å; Y44-W50 HydrophobicContact CE1-CD2 3.75Å; Y44-W50 AromaticContact CE1-CE3 3.76Å; Y44-W50 HydrophobicContact CE1-CE3 3.76Å; Y44-W50 AromaticContact CE1-CG 3.75Å; Y44-W50 HydrophobicContact CE1-CG 3.75Å; Y44-W50 HydrophobicContact CE2-CB 3.37Å; Y44-W50 AromaticContact CE2-CG 3.79Å; Y44-W50 HydrophobicContact CE2-CG 3.79Å; Y44-W50 HydrophobicContact CG-CB 3.84Å; Y44-W50 AromaticContact CG-CD1 3.35Å; Y44-W50 AromaticContact CG-CD2 3.5Å; Y44-W50 HydrophobicContact CG-CD2 3.5Å; Y44-W50 VanDerWaalsContact CG-CD2 3.5Å; Y44-W50 AromaticContact CG-CE2 3.62Å; Y44-W50 HydrophobicContact CG-CE3 4.26Å; Y44-W50 AromaticContact CG-CG 3.27Å; Y44-W50 HydrophobicContact CG-CG 3.27Å; Y44-W50 HydrophobicContact CG-CZ2 4.42Å; Y44-W50 AromaticContact CG-NE1 3.58Å; Y44-W50 AromaticContact CZ-CG 3.86Å; Y44-W50 PolarHBondContact OH-N 2.97Å; W50-L52 HydrophobicContact CD2-CD1 4.44Å; W50-L52 HydrophobicContact CD2-CD2 3.86Å; W50-L52 HydrophobicContact CD2-CG 4.16Å; W50-L52 VanDerWaalsContact CE2-CD2 3.46Å; W50-L52 HydrophobicContact CG-CD2 4.09Å; W50-L52 HydrophobicContact CG-CG 4.16Å; W50-L52 HydrophobicContact CZ2-CD2 3.94Å; W50-L52 VanDerWaalsContact NE1-CD2 3.3Å
51I93.1Very high86.2Confident47 Ų4742.8 Ų42.824%0.24124%0.236CC..EExtended strand (participates in β ladder)trans-83.3124.4169.8-56.9177.9000109.6Y10 L11 L76 Y170Y10-I51 CarbonylContact O-C 3.52Å; Y10-I51 WeakPolarHBondContact O-CA 3.35Å; L11-I51 HydrophobicContact CD1-CG1 3.78Å; I51-L76 HydrophobicContact CD1-CD2 3.74Å; I51-L76 HydrophobicContact CG1-CD2 4Å; I51-L76 HydrophobicContact CG2-CD2 3.99Å; I51-Y170 HydrophobicContact CD1-CD1 4.49Å; I51-Y170 HydrophobicContact CD1-CE1 4Å; I51-Y170 HydrophobicContact CG1-CE1 4.48Å
52L91.3Very high87.3Confident1 Ų144.7 Ų44.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-125.3143.4174.9-65.7-176.9000111.2R9 Y10 L12 I26 L30 F37 Q41 W50 I54R9-L52 CarbonylContact C-O 3.46Å; Y10-L52 PolarHBondContact N-O 3.11Å; Y10-L52 PolarHBondContact O-N 2.96Å; L12-L52 HydrophobicContact CD1-CD1 3.28Å; L12-L52 HydrophobicContact CD1-CG 4.08Å; L12-L52 HydrophobicContact CG-CD1 4.38Å; I26-L52 HydrophobicContact CG2-CD1 3.79Å; L30-L52 HydrophobicContact CD1-CD1 4.35Å; F37-L52 HydrophobicContact CE2-CD2 3.77Å; F37-L52 HydrophobicContact CZ-CD2 3.92Å; Q41-L52 HydrophobicContact CB-CD2 3.74Å; Q41-L52 HydrophobicContact CG-CD2 4.01Å; Q41-L52 VanDerWaalsContact NE2-CB 3.33Å; W50-L52 HydrophobicContact CD2-CD1 4.44Å; W50-L52 HydrophobicContact CD2-CD2 3.86Å; W50-L52 HydrophobicContact CD2-CG 4.16Å; W50-L52 VanDerWaalsContact CE2-CD2 3.46Å; W50-L52 HydrophobicContact CG-CD2 4.09Å; W50-L52 HydrophobicContact CG-CG 4.16Å; W50-L52 HydrophobicContact CZ2-CD2 3.94Å; W50-L52 VanDerWaalsContact NE1-CD2 3.3Å; L52-I54 HydrophobicContact CB-CD1 4.44Å; L52-I54 HydrophobicContact CB-CG1 4.12Å
53S90.7Very high88.9Confident36 Ų3640.3 Ų40.325%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-85.9119.6161.9-64.90000108.7N8 Q41N8-S53 WeakPolarHBondContact O-CA 3.39Å; Q41-S53 PolarHBondContact NE2-O 3.13Å; Q41-S53 VanDerWaalsContact NE2-O 3.16Å
54I90.4Very high90.7Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-124.9138.9178.6-54177.6000108.6N8 Y10 L30 L52 S56 I59 A60 I73N8-I54 PolarHBondContact N-O 3.13Å; N8-I54 VanDerWaalsContact N-O 3.13Å; N8-I54 PolarHBondContact O-N 3.47Å; Y10-I54 HydrophobicContact CD2-CB 3.55Å; Y10-I54 HydrophobicContact CD2-CD1 3.98Å; Y10-I54 HydrophobicContact CD2-CG1 3.84Å; Y10-I54 HydrophobicContact CE2-CB 3.67Å; Y10-I54 HydrophobicContact CE2-CG1 4.45Å; Y10-I54 HydrophobicContact CE2-CG2 4.46Å; Y10-I54 HydrophobicContact CG-CD1 4.12Å; Y10-I54 HydrophobicContact CG-CG1 4.45Å; L30-I54 HydrophobicContact CD2-CD1 4.44Å; L30-I54 HydrophobicContact CD2-CG1 4.35Å; L30-I54 HydrophobicContact CD2-CG2 4.26Å; L52-I54 HydrophobicContact CB-CD1 4.44Å; L52-I54 HydrophobicContact CB-CG1 4.12Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.24Å; I54-I59 HydrophobicContact CG2-CB 3.85Å; I54-I59 HydrophobicContact CG2-CG2 3.6Å; I54-A60 HydrophobicContact CD1-CB 4.15Å; I54-A60 HydrophobicContact CG2-CB 4.47Å; I54-I73 HydrophobicContact CD1-CD1 3.67Å
55P88.4Confident92.1Very high31 Ų3139.2 Ų39.220%0.20121%0.211CC..SBendtrans-65-31.9-173.3-20.931.4000114.9L7 I59L7-P55 HydrophobicContact CD2-CB 4.07Å; L7-P55 HydrophobicContact CD2-CG 3.78Å; P55-I59 HydrophobicContact CB-CD1 4.01Å; P55-I59 HydrophobicContact CG-CD1 3.98Å
56S91.3Very high93.2Very high36 Ų3637.2 Ų37.225%0.25219%0.186SC..  trans-151.6159.4-178.171.20000112.8I54 D58 I59 A60I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.24Å; S56-D58 PolarHBondContact O-N 2.89Å; S56-I59 PolarHBondContact O-N 3.23Å; S56-I59 WeakPolarHBondContact OG-CG1 3.18Å; S56-I59 PolarHBondContact OG-N 3.25Å; S56-A60 PolarHBondContact O-N 3.48Å
57E94.1Very high94Very high50 Ų5031.2 Ų31.223%0.23416%0.16CC..Hα-helixtrans-64.2-32.5174-172.8176.6139.200111.2Y10 I59 A60 R61 R173 I175Y10-E57 VanDerWaalsContact OH-CA 3.25Å; Y10-E57 WeakPolarHBondContact OH-CA 3.37Å; Y10-E57 PolarHBondContact OH-N 3.37Å; Y10-E57 VanDerWaalsContact OH-N 3.11Å; E57-I59 PolarHBondContact O-N 3.38Å; E57-A60 WeakPolarHBondContact O-CB 3.38Å; E57-A60 PolarHBondContact O-N 2.74Å; E57-R61 HydrophobicContact CG-CG 4.37Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.87Å; E57-R61 IonicContact OE1-CZ 3.46Å; E57-R61 IonicContact OE1-NE 3.66Å; E57-R61 PolarHBondContact OE1-NE 2.83Å; E57-R61 IonicContact OE1-NH2 3.28Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; E57-R173 IonicContact OE1-NH1 2.74Å; E57-R173 IonicContact OE2-CZ 2.8Å; E57-R173 IonicContact OE2-NH1 3.71Å; E57-R173 PolarHBondContact OE2-NH1 2.69Å; E57-R173 IonicContact OE2-NH2 3.2Å; E57-R173 PolarHBondContact OE2-NH2 3.37Å; E57-I175 HydrophobicContact CG-CD1 4.19Å; E57-I175 HydrophobicContact CG-CG2 3.79Å
58D95.3Very high94.4Very high112 Ų11230 Ų3060%0.59915%0.151SC*.Hα-helixtrans-63.5-41.3177.2-66.7-38.4000112.4S56 R61 N62S56-D58 PolarHBondContact O-N 2.89Å; D58-R61 PolarHBondContact O-N 3.06Å; D58-N62 WeakPolarHBondContact O-CB 3.36Å; D58-N62 VanDerWaalsContact O-CG 3.25Å; D58-N62 PolarHBondContact O-N 2.9Å; D58-N62 PolarHBondContact O-ND2 2.95Å
59I94.9Very high94.6Very high22 Ų2230.1 Ų30.111%0.11315%0.152CC..Hα-helixtrans-64.7-43.2174.6-67.6171.2000110L30 F33 I54 P55 S56 E57 R61 N62 L63L30-I59 HydrophobicContact CD2-CG2 3.85Å; F33-I59 HydrophobicContact CB-CG2 4.28Å; I54-I59 HydrophobicContact CG2-CB 3.85Å; I54-I59 HydrophobicContact CG2-CG2 3.6Å; P55-I59 HydrophobicContact CB-CD1 4.01Å; P55-I59 HydrophobicContact CG-CD1 3.98Å; S56-I59 PolarHBondContact O-N 3.23Å; S56-I59 WeakPolarHBondContact OG-CG1 3.18Å; S56-I59 PolarHBondContact OG-N 3.25Å; E57-I59 PolarHBondContact O-N 3.38Å; I59-R61 PolarHBondContact O-N 3.36Å; I59-N62 PolarHBondContact O-N 3.23Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 PolarHBondContact O-N 2.78Å
60A95.6Very high94.7Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-57.8-47.3174.800000111.6Y10 I54 S56 E57 L63 M64 I73Y10-A60 HydrophobicContact CD1-CB 4.16Å; Y10-A60 HydrophobicContact CE1-CB 3.96Å; I54-A60 HydrophobicContact CD1-CB 4.15Å; I54-A60 HydrophobicContact CG2-CB 4.47Å; S56-A60 PolarHBondContact O-N 3.48Å; E57-A60 WeakPolarHBondContact O-CB 3.38Å; E57-A60 PolarHBondContact O-N 2.74Å; A60-L63 PolarHBondContact O-N 2.79Å; A60-M64 WeakPolarHBondContact O-CG 3.46Å; A60-M64 PolarHBondContact O-N 2.9Å; A60-I73 HydrophobicContact CB-CD1 3.95Å
61R97.4Very high94.9Very high82 Ų8233.9 Ų33.931%0.30917%0.169SC..Hα-helixtrans-62.1-44.7176.9-72.8179.1177.3-67.3-7.1112.1E57 D58 I59 L63 M64 K65 I175E57-R61 HydrophobicContact CG-CG 4.37Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.87Å; E57-R61 IonicContact OE1-CZ 3.46Å; E57-R61 IonicContact OE1-NE 3.66Å; E57-R61 PolarHBondContact OE1-NE 2.83Å; E57-R61 IonicContact OE1-NH2 3.28Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; D58-R61 PolarHBondContact O-N 3.06Å; I59-R61 PolarHBondContact O-N 3.36Å; R61-L63 VanDerWaalsContact C-N 3.35Å; R61-M64 PolarHBondContact O-N 2.79Å; R61-K65 WeakPolarHBondContact O-CG 3.48Å; R61-K65 PolarHBondContact O-N 3.49Å; R61-I175 HydrophobicContact CG-CG2 3.58Å; R61-I175 PolarHBondContact NH1-O 3.04Å; R61-I175 PolarHBondContact NH2-O 3.31Å
62N96.7Very high95.1Very high51 Ų5132.4 Ų32.427%0.27316%0.162SC..Hα-helixtrans-66.6-36.2179.8-73-26.8000112.4F33 D58 I59 K65F33-N62 HydrophobicContact CD1-CB 3.82Å; F33-N62 HydrophobicContact CD2-CB 3.93Å; F33-N62 HydrophobicContact CE1-CB 3.81Å; F33-N62 HydrophobicContact CE2-CB 3.94Å; F33-N62 WeakPolarHBondContact CE2-O 3.01Å; F33-N62 HydrophobicContact CG-CB 3.87Å; F33-N62 HydrophobicContact CZ-CB 3.86Å; F33-N62 WeakPolarHBondContact CZ-O 3.46Å; D58-N62 WeakPolarHBondContact O-CB 3.36Å; D58-N62 VanDerWaalsContact O-CG 3.25Å; D58-N62 PolarHBondContact O-N 2.9Å; D58-N62 PolarHBondContact O-ND2 2.95Å; I59-N62 PolarHBondContact O-N 3.23Å; N62-K65 PolarHBondContact O-N 3.42Å; N62-K65 PolarHBondContact OD1-NZ 3.42Å
63L96.7Very high95.4Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-59.7-47.1170.1179.9147.1000111.4L12 I26 L29 L30 I59 A60 R61 K65 R66 T67L12-L63 HydrophobicContact CD2-CD2 4.22Å; I26-L63 HydrophobicContact CD1-CD1 4.11Å; I26-L63 HydrophobicContact CD1-CD2 3.82Å; I26-L63 HydrophobicContact CD1-CG 4.31Å; I26-L63 HydrophobicContact CG2-CD1 4.24Å; L29-L63 HydrophobicContact CB-CD1 4.2Å; L29-L63 HydrophobicContact CB-CG 4.19Å; L29-L63 HydrophobicContact CD1-CG 4.32Å; L30-L63 HydrophobicContact CD1-CD1 4.41Å; L30-L63 HydrophobicContact CD2-CD1 3.77Å; L30-L63 HydrophobicContact CG-CD1 3.64Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 PolarHBondContact O-N 2.78Å; A60-L63 PolarHBondContact O-N 2.79Å; R61-L63 VanDerWaalsContact C-N 3.35Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 3.3Å; L63-R66 PolarHBondContact O-N 3.23Å; L63-R66 VanDerWaalsContact O-N 3.09Å; L63-T67 HydrophobicContact CD2-CG2 3.94Å; L63-T67 PolarHBondContact O-N 3.18Å
64M97.8Very high95.8Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-67.9-28-178.3-64.5-47.5-65.100113.5L12 A60 R61 R66 T67 A70 I73 A176 G178L12-M64 HydrophobicContact CD2-CE 4.44Å; L12-M64 HydrophobicContact CD2-SD 3.59Å; L12-M64 VanDerWaalsContact CD2-SD 3.59Å; A60-M64 WeakPolarHBondContact O-CG 3.46Å; A60-M64 PolarHBondContact O-N 2.9Å; R61-M64 PolarHBondContact O-N 2.79Å; M64-R66 PolarHBondContact O-N 3.47Å; M64-T67 HydrophobicContact CE-CG2 3.91Å; M64-T67 HydrophobicContact SD-CG2 3.81Å; M64-A70 HydrophobicContact CE-CB 3.8Å; M64-A70 HydrophobicContact SD-CB 4.18Å; M64-I73 HydrophobicContact CE-CB 4.38Å; M64-I73 HydrophobicContact CG-CB 3.81Å; M64-I73 HydrophobicContact CG-CG2 3.31Å; M64-I73 HydrophobicContact SD-CB 3.69Å; M64-I73 HydrophobicContact SD-CG2 3.94Å; M64-A176 HydrophobicContact CB-CB 3.67Å; M64-A176 HydrophobicContact CG-CB 3.98Å; M64-G178 WeakPolarHBondContact O-CA 3.14Å
65K97.3Very high96.1Very high130 Ų13031.1 Ų31.157%0.56515%0.152SC*.THydrogen-bonded Turntrans-63.8-2.3170.6-71.8174.9-173.9167.90114.2R61 N62 L63 Q179R61-K65 WeakPolarHBondContact O-CG 3.48Å; R61-K65 PolarHBondContact O-N 3.49Å; N62-K65 PolarHBondContact O-N 3.42Å; N62-K65 PolarHBondContact OD1-NZ 3.42Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 3.3Å; K65-Q179 WeakPolarHBondContact O-CG 3.4Å
66R96.8Very high96.4Very high16 Ų1630 Ų306%0.0614%0.144CC..THydrogen-bonded Turntrans-134-40.5-174.6-69.2-163.761.4153.42115.7L29 F33 L63 M64 V68 N209 V213 F236L29-R66 HydrophobicContact CD1-CB 4.05Å; L29-R66 HydrophobicContact CD2-CB 3.68Å; L29-R66 HydrophobicContact CD2-CG 4.33Å; F33-R66 HydrophobicContact CZ-CG 4.2Å; L63-R66 PolarHBondContact O-N 3.23Å; L63-R66 VanDerWaalsContact O-N 3.09Å; M64-R66 PolarHBondContact O-N 3.47Å; R66-V68 PolarHBondContact O-N 2.98Å; R66-N209 PolarHBondContact NE-OD1 2.8Å; R66-N209 PolarHBondContact NH2-OD1 3.38Å; R66-N209 PolarHBondContact O-ND2 3.47Å; R66-V213 PolarHBondContact NH1-O 3.37Å; R66-V213 PolarHBondContact NH2-O 3.15Å; R66-F236 HydrophobicContact CB-CE1 4.31Å; R66-F236 HydrophobicContact CB-CZ 4.39Å; R66-F236 HydrophobicContact CG-CD1 4.41Å; R66-F236 HydrophobicContact CG-CE1 3.93Å; R66-F236 HydrophobicContact CG-CZ 4.42Å; R66-F236 VanDerWaalsContact NH2-CD2 3.29Å
67T97.6Very high96.7Very high0 Ų028.5 Ų28.50%013%0.133CC..  trans-61.5134.7-175.3178.80000110.9E25 L63 M64 C69 A70 Q179E25-T67 PolarHBondContact OE2-OG1 2.96Å; L63-T67 HydrophobicContact CD2-CG2 3.94Å; L63-T67 PolarHBondContact O-N 3.18Å; M64-T67 HydrophobicContact CE-CG2 3.91Å; M64-T67 HydrophobicContact SD-CG2 3.81Å; T67-C69 PolarHBondContact OG1-N 2.96Å; T67-A70 HydrophobicContact CG2-CB 3.62Å; T67-A70 PolarHBondContact OG1-N 3.04Å; T67-Q179 PolarHBondContact O-N 3.22Å
68V97.1Very high96.7Very high2 Ų226.2 Ų26.21%0.01212%0.123CC..SBendtrans-106.3-9.4168.8-60.10000111.5E25 R66 Q179 R180 I183 F205 I206E25-V68 PolarHBondContact OE1-N 3.09Å; E25-V68 VanDerWaalsContact OE1-N 3.16Å; R66-V68 PolarHBondContact O-N 2.98Å; V68-Q179 HydrophobicContact CG1-CB 4.35Å; V68-R180 WeakPolarHBondContact O-CG 3.47Å; V68-R180 PolarHBondContact O-NH1 3.29Å; V68-I183 HydrophobicContact CB-CD1 4.48Å; V68-F205 HydrophobicContact CG1-CB 3.83Å; V68-F205 HydrophobicContact CG1-CG 4.33Å; V68-F205 HydrophobicContact CG2-CB 4.12Å; V68-I206 HydrophobicContact CG2-CD1 4.2Å; V68-I206 HydrophobicContact CG2-CG1 3.47Å; V68-I206 VanDerWaalsContact CG2-CG1 3.47Å
69C96.4Very high96.7Very high3 Ų323.8 Ų23.82%0.0211%0.108CC..SBendtrans-82.5-28.3172.7-67.30000113.8M14 A15 R22 E25 T67M14-C69 HydrophobicContact CE-CB 4.04Å; A15-C69 VanDerWaalsContact CB-O 3.31Å; A15-C69 WeakPolarHBondContact CB-O 3.33Å; A15-C69 PolarHBondContact N-O 3.16Å; R22-C69 HydrophobicContact CB-CB 4.42Å; R22-C69 HydrophobicContact CG-CB 4.03Å; E25-C69 WeakPolarHBondContact OE2-CB 3.35Å; E25-C69 PolarHBondContact OE2-N 3.15Å; E25-C69 PolarHBondContact OE2-SG 3.35Å; E25-C69 VanDerWaalsContact OE2-SG 3.35Å; T67-C69 PolarHBondContact OG1-N 2.96Å
70A96.4Very high96.8Very high0 Ų022.9 Ų22.90%010%0.104CC..EExtended strand (participates in β ladder)trans-93.5144175.500000112L12 M14 M64 T67L12-A70 HydrophobicContact CD2-CB 3.75Å; M14-A70 HydrophobicContact CE-CB 4.28Å; M14-A70 HydrophobicContact SD-CB 3.57Å; M14-A70 VanDerWaalsContact SD-CB 3.57Å; M64-A70 HydrophobicContact CE-CB 3.8Å; M64-A70 HydrophobicContact SD-CB 4.18Å; T67-A70 HydrophobicContact CG2-CB 3.62Å; T67-A70 PolarHBondContact OG1-N 3.04Å
71K97.1Very high96.7Very high93 Ų9329.2 Ų29.240%0.40413%0.133SC..EExtended strand (participates in β ladder)trans-87.7-48.5173.8-62.1-176.4176.3178.40111.3L13 A15 D177 G178L13-K71 HydrophobicContact CD2-CB 4.36Å; L13-K71 HydrophobicContact CD2-CD 4.37Å; L13-K71 HydrophobicContact CG-CB 4.19Å; L13-K71 HydrophobicContact CG-CD 4.28Å; L13-K71 WeakPolarHBondContact O-CA 3.39Å; L13-K71 WeakPolarHBondContact O-CB 3.31Å; L13-K71 PolarHBondContact O-N 2.76Å; A15-K71 HydrophobicContact CB-CG 4.44Å; K71-D177 CarbonylContact O-C 3.52Å; K71-D177 WeakPolarHBondContact O-CA 3.4Å; K71-G178 PolarHBondContact O-N 3.24Å
72S97.9Very high96.6Very high15 Ų1526.8 Ų26.811%0.10513%0.129CC..EExtended strand (participates in β ladder)trans-154157.1-177.1-50.70000110.8L13 A176 D177L13-S72 PolarHBondContact N-O 2.97Å; L13-S72 PolarHBondContact O-N 2.93Å; S72-A176 CarbonylContact C-O 3.43Å; S72-A176 WeakPolarHBondContact CA-O 3.33Å; S72-D177 WeakPolarHBondContact CB-OD1 3.32Å; S72-D177 PolarHBondContact OG-OD1 2.95Å
73I98.1Very high96.4Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-122.7142.9169.3-158.8172.6000111.2Y10 L11 L12 I54 A60 M64 I175 A176Y10-I73 HydrophobicContact CD1-CD1 4.27Å; Y10-I73 HydrophobicContact CD1-CG1 4.37Å; Y10-I73 HydrophobicContact CG-CD1 4.22Å; L11-I73 CarbonylContact O-C 3.54Å; L11-I73 WeakPolarHBondContact O-CA 3.32Å; L12-I73 HydrophobicContact CD2-CB 3.88Å; L12-I73 HydrophobicContact CD2-CD1 3.79Å; L12-I73 HydrophobicContact CD2-CG1 3.79Å; L12-I73 HydrophobicContact CG-CD1 4.03Å; L12-I73 HydrophobicContact CG-CG1 4.03Å; I54-I73 HydrophobicContact CD1-CD1 3.67Å; A60-I73 HydrophobicContact CB-CD1 3.95Å; M64-I73 HydrophobicContact CE-CB 4.38Å; M64-I73 HydrophobicContact CG-CB 3.81Å; M64-I73 HydrophobicContact CG-CG2 3.31Å; M64-I73 HydrophobicContact SD-CB 3.69Å; M64-I73 HydrophobicContact SD-CG2 3.94Å; I73-I175 HydrophobicContact CG2-CB 3.76Å; I73-I175 HydrophobicContact CG2-CG1 4.46Å; I73-I175 HydrophobicContact CG2-CG2 4.14Å; I73-I175 PolarHBondContact O-N 3.22Å; I73-A176 PolarHBondContact N-O 3.39Å
74F97.9Very high96.3Very high1 Ų132.4 Ų32.40%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-125.6139.2-179.6-52.7-92.5000109.4Y10 L11 L13 L76 S150 L152 R173 W174Y10-F74 CarbonylContact C-O 3.57Å; Y10-F74 WeakPolarHBondContact CA-O 3.49Å; Y10-F74 WeakPolarHBondContact CB-O 3.27Å; L11-F74 HydrophobicContact CB-CB 4.41Å; L11-F74 PolarHBondContact N-O 2.91Å; L11-F74 WeakPolarHBondContact O-CD2 3.33Å; L11-F74 PolarHBondContact O-N 3.11Å; L13-F74 HydrophobicContact CB-CE2 4.07Å; F74-L76 PolarHBondContact O-N 3.04Å; F74-S150 VanDerWaalsContact CE1-OG 3.29Å; F74-S150 WeakPolarHBondContact CE1-OG 3.28Å; F74-L152 HydrophobicContact CD1-CD1 4.49Å; F74-L152 HydrophobicContact CD2-CD1 4.35Å; F74-L152 HydrophobicContact CD2-CD2 4.08Å; F74-L152 HydrophobicContact CE2-CD1 4.5Å; F74-L152 HydrophobicContact CE2-CD2 3.59Å; F74-L152 HydrophobicContact CG-CD1 4.37Å; F74-L152 HydrophobicContact CZ-CD2 3.93Å; F74-R173 CarbonylContact C-O 3.59Å; F74-R173 WeakPolarHBondContact CA-O 3.09Å; F74-W174 HydrophobicContact CD1-CB 3.86Å; F74-W174 HydrophobicContact CE1-CB 3.81Å; F74-W174 AromaticContact CE1-CD1 3.72Å; F74-W174 HydrophobicContact CE1-CG 4.18Å
75E96.6Very high96.2Very high10 Ų1036.9 Ų36.95%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-68.9119.6160.3176.3-176.8-141.200107.7Y10 W77 Y93 G172 R173 I175Y10-E75 HydrophobicContact CD1-CB 4.35Å; Y10-E75 HydrophobicContact CE1-CB 4.2Å; E75-W77 PolarHBondContact O-N 2.97Å; E75-W77 PolarHBondContact OE2-NE1 3.48Å; E75-W77 VanDerWaalsContact OE2-NE1 3.13Å; E75-Y93 PolarHBondContact OE1-OH 3.25Å; E75-G172 CarbonylContact O-C 3.55Å; E75-G172 WeakPolarHBondContact O-CA 3.3Å; E75-R173 HydrophobicContact CB-CB 4.41Å; E75-R173 PolarHBondContact N-O 3.09Å; E75-R173 PolarHBondContact O-N 3.34Å; E75-R173 IonicContact OE1-NH2 2.72Å; E75-R173 IonicContact OE2-CZ 2.73Å; E75-R173 VanDerWaalsContact OE2-CZ 3.25Å; E75-R173 IonicContact OE2-NE 3.93Å; E75-R173 PolarHBondContact OE2-NE 2.96Å; E75-R173 IonicContact OE2-NH2 3.5Å; E75-R173 PolarHBondContact OE2-NH2 3.43Å; E75-I175 HydrophobicContact CB-CD1 3.95Å; E75-I175 HydrophobicContact CB-CG1 4.24Å
76L96.5Very high96.2Very high7 Ų731 Ų314%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-85.2116-172.9-17766.6000109.9R9 L11 I51 F74 G78 Y170R9-L76 HydrophobicContact CB-CB 4.24Å; R9-L76 HydrophobicContact CB-CD2 4.44Å; R9-L76 PolarHBondContact O-N 3.02Å; L11-L76 HydrophobicContact CB-CB 4.45Å; L11-L76 HydrophobicContact CB-CD1 4.26Å; I51-L76 HydrophobicContact CD1-CD2 3.74Å; I51-L76 HydrophobicContact CG1-CD2 4Å; I51-L76 HydrophobicContact CG2-CD2 3.99Å; F74-L76 PolarHBondContact O-N 3.04Å; L76-G78 WeakPolarHBondContact CD1-O 3.46Å; L76-Y170 HydrophobicContact CD1-CD1 4.21Å
77W95.8Very high96.1Very high5 Ų533.2 Ų33.22%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-94.5-39.4177.5-671000111.7E75 L90 Y93 M98 F101 L102 F149 F171 R173E75-W77 PolarHBondContact O-N 2.97Å; E75-W77 PolarHBondContact OE2-NE1 3.48Å; E75-W77 VanDerWaalsContact OE2-NE1 3.13Å; W77-L90 HydrophobicContact CB-CD2 3.83Å; W77-Y93 HydrophobicContact CB-CD1 4.33Å; W77-Y93 HydrophobicContact CB-CD2 4.23Å; W77-Y93 HydrophobicContact CB-CE1 4.46Å; W77-Y93 HydrophobicContact CB-CE2 4.37Å; W77-Y93 HydrophobicContact CB-CG 4.19Å; W77-Y93 AromaticContact CD1-CE1 3.7Å; W77-Y93 AromaticContact CD1-CE2 3.98Å; W77-Y93 AromaticContact CD1-CZ 3.46Å; W77-Y93 VanDerWaalsContact CD1-CZ 3.46Å; W77-Y93 HydrophobicContact CD2-CE1 4.39Å; W77-Y93 HydrophobicContact CG-CD1 4.23Å; W77-Y93 AromaticContact CG-CE1 3.97Å; W77-Y93 HydrophobicContact CG-CE1 3.97Å; W77-Y93 HydrophobicContact CG-CE2 4.4Å; W77-Y93 AromaticContact NE1-CE1 3.98Å; W77-Y93 AromaticContact NE1-CZ 3.96Å; W77-Y93 WeakPolarHBondContact O-CB 3.26Å; W77-Y93 WeakPolarHBondContact O-CD2 3.19Å; W77-M98 HydrophobicContact CD2-CG 4.19Å; W77-M98 HydrophobicContact CE3-CE 3.54Å; W77-M98 HydrophobicContact CE3-CG 4.03Å; W77-M98 HydrophobicContact CE3-SD 4.31Å; W77-M98 HydrophobicContact CH2-CB 3.96Å; W77-M98 HydrophobicContact CH2-CE 4.27Å; W77-M98 HydrophobicContact CH2-CG 4.01Å; W77-M98 HydrophobicContact CZ2-CB 4.34Å; W77-M98 HydrophobicContact CZ2-CG 4.18Å; W77-M98 HydrophobicContact CZ3-CB 4.25Å; W77-M98 HydrophobicContact CZ3-CE 3.43Å; W77-M98 VanDerWaalsContact CZ3-CE 3.43Å; W77-M98 HydrophobicContact CZ3-CG 3.98Å; W77-M98 HydrophobicContact CZ3-SD 4.46Å; W77-F101 HydrophobicContact CZ2-CD2 4.04Å; W77-L102 HydrophobicContact CH2-CD1 4.38Å; W77-L102 HydrophobicContact CH2-CD2 4.05Å; W77-L102 HydrophobicContact CH2-CG 4.2Å; W77-L102 HydrophobicContact CZ3-CD1 4.34Å; W77-L102 HydrophobicContact CZ3-CD2 4.23Å; W77-F149 HydrophobicContact CE3-CE1 4.48Å; W77-F149 HydrophobicContact CH2-CD1 4.01Å; W77-F149 AromaticContact CH2-CE1 3.18Å; W77-F149 HydrophobicContact CH2-CE1 3.18Å; W77-F149 AromaticContact CH2-CZ 3.84Å; W77-F149 HydrophobicContact CH2-CZ 3.84Å; W77-F149 HydrophobicContact CZ2-CD1 4.48Å; W77-F149 AromaticContact CZ2-CE1 3.66Å; W77-F149 HydrophobicContact CZ2-CE1 3.66Å; W77-F149 HydrophobicContact CZ3-CD1 4.02Å; W77-F149 AromaticContact CZ3-CE1 3.62Å; W77-F149 HydrophobicContact CZ3-CE1 3.62Å; W77-F149 HydrophobicContact CZ3-CZ 4.41Å; W77-F171 HydrophobicContact CB-CD1 4.33Å; W77-F171 HydrophobicContact CE3-CD1 4.03Å; W77-F171 AromaticContact CE3-CE1 3.6Å; W77-F171 HydrophobicContact CE3-CE1 3.6Å; W77-F171 HydrophobicContact CZ3-CE1 4.03Å; W77-F171 PolarHBondContact N-O 3.24Å; W77-R173 HydrophobicContact CZ2-CB 4.15Å
78G95.3Very high96Very high1 Ų136.4 Ų36.41%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-152.1155177.100000113.4L76 L86 S89 F171L76-G78 WeakPolarHBondContact CD1-O 3.46Å; G78-L86 VanDerWaalsContact C-CD1 3.46Å; G78-L86 WeakPolarHBondContact O-CD1 3.43Å; G78-S89 VanDerWaalsContact CA-OG 3.27Å; G78-S89 WeakPolarHBondContact CA-OG 3.33Å; G78-F171 PolarHBondContact N-O 2.77Å; G78-F171 VanDerWaalsContact N-O 3.11Å; G78-F171 PolarHBondContact O-N 3.44Å
79H95.7Very high95.9Very high62 Ų6237.9 Ų37.929%0.28720%0.195SC..EExtended strand (participates in β ladder)trans-145.7152.6172.272.190.3000111R9 S89 I169 Y170R9-H79 PolarHBondContact NH1-CD2 3.24Å; R9-H79 VanDerWaalsContact NH1-CD2 3.34Å; R9-H79 PolarHBondContact NH1-NE2 3.03Å; R9-H79 PolarHBondContact NH2-CD2 2.89Å; R9-H79 PolarHBondContact NH2-NE2 3.24Å; H79-S89 PolarHBondContact N-OG 3.22Å; H79-S89 WeakPolarHBondContact O-CB 3.15Å; H79-I169 CarbonylContact C-O 3.47Å; H79-I169 VanDerWaalsContact CA-O 3.29Å; H79-I169 WeakPolarHBondContact CA-O 3.44Å; H79-Y170 HydrophobicContact CB-CD1 3.63Å; H79-Y170 HydrophobicContact CB-CE1 4.04Å
80G95.8Very high95.8Very high3 Ų337.8 Ų37.83%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-164.4162.4175.400000111.8S82 N168 I169G80-S82 VanDerWaalsContact C-N 3.35Å; G80-N168 WeakPolarHBondContact O-CA 3.46Å; G80-I169 PolarHBondContact N-O 2.86Å; G80-I169 PolarHBondContact O-N 3.48Å
81Q94.9Very high95.6Very high132 Ų13244.9 Ų44.962%0.61723%0.225SC*.SBendtrans-87.6-11.7171.8-62.1-176-19.100112E85 H167Q81-E85 PolarHBondContact N-OE2 3.26Å; Q81-H167 WeakPolarHBondContact CA-O 3.47Å
82S94.1Very high95.3Very high32 Ų3247 Ų4722%0.22424%0.241CC..SBendtrans-134.1163.8171.389.40000110.9G80 E84 E85 L86G80-S82 VanDerWaalsContact C-N 3.35Å; S82-E84 VanDerWaalsContact C-N 3.26Å; S82-E84 VanDerWaalsContact CB-OE2 3.28Å; S82-E84 WeakPolarHBondContact CB-OE2 3.41Å; S82-E84 PolarHBondContact O-N 3.32Å; S82-E84 PolarHBondContact OG-N 2.8Å; S82-E84 PolarHBondContact OG-OE2 3.37Å; S82-E85 PolarHBondContact O-N 3.39Å; S82-E85 PolarHBondContact OG-N 3.32Å; S82-L86 PolarHBondContact O-N 3.02Å
83P92.8Very high95Very high49 Ų4947.8 Ų47.832%0.31824%0.242SC..Hα-helixtrans-54.9-41.4172.3-25.635.5000112.9E85 L86 Y87 I169P83-E85 PolarHBondContact O-N 3.4Å; P83-L86 WeakPolarHBondContact O-CB 3.41Å; P83-L86 PolarHBondContact O-N 3.43Å; P83-Y87 HydrophobicContact CB-CE2 3.84Å; P83-Y87 VanDerWaalsContact O-CD1 3.3Å; P83-Y87 WeakPolarHBondContact O-CD1 3.5Å; P83-Y87 WeakPolarHBondContact O-CD2 3.03Å; P83-Y87 PolarHBondContact O-N 2.83Å; P83-I169 HydrophobicContact CG-CD1 4.03Å
84E94.3Very high94.7Very high119 Ų11950.7 Ų50.756%0.55626%0.261SS*.Hα-helixtrans-64.6-41.3-179.1-58.570.5-14900111.8S82 Y87 S88S82-E84 VanDerWaalsContact C-N 3.26Å; S82-E84 VanDerWaalsContact CB-OE2 3.28Å; S82-E84 WeakPolarHBondContact CB-OE2 3.41Å; S82-E84 PolarHBondContact O-N 3.32Å; S82-E84 PolarHBondContact OG-N 2.8Å; S82-E84 PolarHBondContact OG-OE2 3.37Å; E84-Y87 PolarHBondContact O-N 3.4Å; E84-S88 WeakPolarHBondContact O-CB 3.15Å; E84-S88 PolarHBondContact O-N 3.21Å; E84-S88 PolarHBondContact O-OG 3.28Å
85E96.4Very high94.2Very high95 Ų9554.5 Ų54.544%0.44428%0.284SS..Hα-helixtrans-64.5-43.1174.1-72.4-175.6-173.500111.5Q81 S82 P83 Y87 S88 S89Q81-E85 PolarHBondContact N-OE2 3.26Å; S82-E85 PolarHBondContact O-N 3.39Å; S82-E85 PolarHBondContact OG-N 3.32Å; P83-E85 PolarHBondContact O-N 3.4Å; E85-Y87 PolarHBondContact O-N 2.9Å; E85-S88 PolarHBondContact O-N 3.06Å; E85-S89 WeakPolarHBondContact O-CB 3.11Å; E85-S89 PolarHBondContact O-N 2.89Å
86L95.9Very high93.8Very high5 Ų562.1 Ų62.13%0.02632%0.32CS..Hα-helixtrans-59.5-47.5175.6173.466.1000111G78 S82 P83 S88 S89 L90 I169 F171G78-L86 VanDerWaalsContact C-CD1 3.46Å; G78-L86 WeakPolarHBondContact O-CD1 3.43Å; S82-L86 PolarHBondContact O-N 3.02Å; P83-L86 WeakPolarHBondContact O-CB 3.41Å; P83-L86 PolarHBondContact O-N 3.43Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.33Å; L86-S89 WeakPolarHBondContact O-CB 3.33Å; L86-S89 PolarHBondContact O-N 3.16Å; L86-L90 HydrophobicContact CD1-CD1 4.03Å; L86-L90 HydrophobicContact CD1-CG 4.16Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 HydrophobicContact CG-CD1 3.88Å; L86-L90 HydrophobicContact CG-CG 4.42Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 3.14Å; L86-I169 HydrophobicContact CD2-CB 4.13Å; L86-I169 HydrophobicContact CD2-CG2 3.57Å; L86-F171 HydrophobicContact CD1-CB 3.99Å
87Y95.2Very high93.5Very high64 Ų6465.7 Ų65.725%0.25134%0.335SS..Hα-helixtrans-63.5-39.5-179.8-55.1-26.3000111.6P83 E84 E85 L90 K91 A130 L131 F133P83-Y87 HydrophobicContact CB-CE2 3.84Å; P83-Y87 VanDerWaalsContact O-CD1 3.3Å; P83-Y87 WeakPolarHBondContact O-CD1 3.5Å; P83-Y87 WeakPolarHBondContact O-CD2 3.03Å; P83-Y87 PolarHBondContact O-N 2.83Å; E84-Y87 PolarHBondContact O-N 3.4Å; E85-Y87 PolarHBondContact O-N 2.9Å; Y87-L90 PolarHBondContact O-N 2.86Å; Y87-K91 WeakPolarHBondContact O-CG 3.29Å; Y87-K91 PolarHBondContact O-N 3.4Å; Y87-A130 VanDerWaalsContact OH-CB 3.28Å; Y87-A130 WeakPolarHBondContact OH-CB 3.35Å; Y87-L131 HydrophobicContact CE1-CD2 4.45Å; Y87-F133 AromaticContact CD1-CE1 3.52Å; Y87-F133 HydrophobicContact CD1-CE1 3.52Å; Y87-F133 AromaticContact CD1-CZ 3.69Å; Y87-F133 HydrophobicContact CD1-CZ 3.69Å; Y87-F133 HydrophobicContact CE1-CE1 4.07Å; Y87-F133 AromaticContact CG-CE1 3.88Å; Y87-F133 HydrophobicContact CG-CE1 3.88Å; Y87-F133 HydrophobicContact CG-CZ 4.03Å
88S95.1Very high93.2Very high67 Ų6765.6 Ų65.647%0.46934%0.335SS..Hα-helixtrans-63.1-44.3174.2-57.70000111.2E84 E85 L86 L90 K91 N92E84-S88 WeakPolarHBondContact O-CB 3.15Å; E84-S88 PolarHBondContact O-N 3.21Å; E84-S88 PolarHBondContact O-OG 3.28Å; E85-S88 PolarHBondContact O-N 3.06Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.33Å; S88-L90 VanDerWaalsContact C-N 3.31Å; S88-L90 PolarHBondContact O-N 2.95Å; S88-K91 PolarHBondContact O-N 3.47Å; S88-N92 VanDerWaalsContact O-CG 3.31Å; S88-N92 PolarHBondContact O-N 3.04Å; S88-N92 PolarHBondContact O-ND2 2.91Å; S88-N92 VanDerWaalsContact O-ND2 3.17Å
89S95Very high93Very high32 Ų3269 Ų6922%0.22436%0.355CS..Hα-helixtrans-61.8-38.1175.1-177.60000112.3G78 H79 E85 L86 N92 Y93G78-S89 VanDerWaalsContact CA-OG 3.27Å; G78-S89 WeakPolarHBondContact CA-OG 3.33Å; H79-S89 PolarHBondContact N-OG 3.22Å; H79-S89 WeakPolarHBondContact O-CB 3.15Å; E85-S89 WeakPolarHBondContact O-CB 3.11Å; E85-S89 PolarHBondContact O-N 2.89Å; L86-S89 WeakPolarHBondContact O-CB 3.33Å; L86-S89 PolarHBondContact O-N 3.16Å; S89-N92 PolarHBondContact O-N 3.22Å; S89-Y93 PolarHBondContact O-N 3.14Å
90L94.7Very high92.7Very high2 Ų269.9 Ų69.91%0.0137%0.366CS..Hα-helixtrans-71-41.1179.5-75.8169.2000112.6W77 L86 Y87 S88 N92 Y93 L131 F133 L134 F171W77-L90 HydrophobicContact CB-CD2 3.83Å; L86-L90 HydrophobicContact CD1-CD1 4.03Å; L86-L90 HydrophobicContact CD1-CG 4.16Å; L86-L90 HydrophobicContact CD2-CD1 4.47Å; L86-L90 HydrophobicContact CG-CD1 3.88Å; L86-L90 HydrophobicContact CG-CG 4.42Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 3.14Å; Y87-L90 PolarHBondContact O-N 2.86Å; S88-L90 VanDerWaalsContact C-N 3.31Å; S88-L90 PolarHBondContact O-N 2.95Å; L90-N92 PolarHBondContact O-N 3.38Å; L90-Y93 WeakPolarHBondContact O-CB 3.47Å; L90-Y93 PolarHBondContact O-N 2.94Å; L90-Y93 VanDerWaalsContact O-N 3.11Å; L90-L131 HydrophobicContact CD1-CD2 4.05Å; L90-F133 HydrophobicContact CB-CE2 4.19Å; L90-F133 HydrophobicContact CB-CZ 4.24Å; L90-F133 HydrophobicContact CD1-CZ 3.99Å; L90-L134 HydrophobicContact CB-CD2 4.31Å; L90-L134 HydrophobicContact CD1-CD1 4.37Å; L90-F171 HydrophobicContact CD1-CB 4.13Å; L90-F171 HydrophobicContact CD1-CD1 4.28Å; L90-F171 HydrophobicContact CD1-CG 4.3Å; L90-F171 HydrophobicContact CD2-CB 4.04Å; L90-F171 HydrophobicContact CD2-CD1 3.54Å; L90-F171 HydrophobicContact CD2-CE1 4.44Å; L90-F171 HydrophobicContact CD2-CG 4.15Å
91K92.2Very high92.6Very high149 Ų14971.7 Ų71.765%0.64837%0.373SS*.Hα-helixtrans-63-29175.3-72.9174.6-177.6179.50112.7Y87 S88 F133Y87-K91 WeakPolarHBondContact O-CG 3.29Å; Y87-K91 PolarHBondContact O-N 3.4Å; S88-K91 PolarHBondContact O-N 3.47Å; K91-F133 HydrophobicContact CG-CD2 4.34Å; K91-F133 HydrophobicContact CG-CE2 4.14Å
92N91.9Very high92.3Very high137 Ų13765.6 Ų65.673%0.73335%0.345SS*.THydrogen-bonded Turntrans-84.7-7.3177.3-68.7-26.6000113.5S88 S89 L90S88-N92 VanDerWaalsContact O-CG 3.31Å; S88-N92 PolarHBondContact O-N 3.04Å; S88-N92 PolarHBondContact O-ND2 2.91Å; S88-N92 VanDerWaalsContact O-ND2 3.17Å; S89-N92 PolarHBondContact O-N 3.22Å; L90-N92 PolarHBondContact O-N 3.38Å
93Y91.4Very high92.1Very high31 Ų3167.9 Ų67.912%0.12235%0.352CS..SBendtrans-75.6137.9178.2-170.3-93.1000110.5E75 W77 S89 L90 V95 K97 M98E75-Y93 PolarHBondContact OE1-OH 3.25Å; W77-Y93 HydrophobicContact CB-CD1 4.33Å; W77-Y93 HydrophobicContact CB-CD2 4.23Å; W77-Y93 HydrophobicContact CB-CE1 4.46Å; W77-Y93 HydrophobicContact CB-CE2 4.37Å; W77-Y93 HydrophobicContact CB-CG 4.19Å; W77-Y93 AromaticContact CD1-CE1 3.7Å; W77-Y93 AromaticContact CD1-CE2 3.98Å; W77-Y93 AromaticContact CD1-CZ 3.46Å; W77-Y93 VanDerWaalsContact CD1-CZ 3.46Å; W77-Y93 HydrophobicContact CD2-CE1 4.39Å; W77-Y93 HydrophobicContact CG-CD1 4.23Å; W77-Y93 AromaticContact CG-CE1 3.97Å; W77-Y93 HydrophobicContact CG-CE1 3.97Å; W77-Y93 HydrophobicContact CG-CE2 4.4Å; W77-Y93 AromaticContact NE1-CE1 3.98Å; W77-Y93 AromaticContact NE1-CZ 3.96Å; W77-Y93 WeakPolarHBondContact O-CB 3.26Å; W77-Y93 WeakPolarHBondContact O-CD2 3.19Å; S89-Y93 PolarHBondContact O-N 3.14Å; L90-Y93 WeakPolarHBondContact O-CB 3.47Å; L90-Y93 PolarHBondContact O-N 2.94Å; L90-Y93 VanDerWaalsContact O-N 3.11Å; Y93-V95 PolarHBondContact O-N 3.37Å; Y93-V95 VanDerWaalsContact O-N 3.09Å; Y93-K97 HydrophobicContact CE1-CB 3.72Å; Y93-K97 HydrophobicContact CE1-CD 4.49Å; Y93-M98 HydrophobicContact CD1-CG 3.52Å; Y93-M98 HydrophobicContact CD1-SD 3.78Å; Y93-M98 HydrophobicContact CE1-CG 3.73Å
94P91.1Very high92Very high61 Ų6168 Ų6840%0.39635%0.354SS..  trans-59.5115.9-176.8-25.334.6000112.7E96 K97P94-E96 PolarHBondContact O-N 2.96Å; P94-K97 HydrophobicContact CB-CD 4.42Å; P94-K97 HydrophobicContact CB-CG 4.24Å; P94-K97 WeakPolarHBondContact O-CB 3.38Å; P94-K97 PolarHBondContact O-N 3.2Å
95V87.4Confident91.8Very high82 Ų8268.9 Ų68.950%0.49736%0.362SS..Hα-helixtrans-58.5-36.7-178.91770000111.5Y93 K97 M98 V99Y93-V95 PolarHBondContact O-N 3.37Å; Y93-V95 VanDerWaalsContact O-N 3.09Å; V95-K97 PolarHBondContact O-N 2.81Å; V95-K97 VanDerWaalsContact O-N 3.14Å; V95-M98 WeakPolarHBondContact O-CA 3.44Å; V95-M98 WeakPolarHBondContact O-CB 3.46Å; V95-M98 PolarHBondContact O-N 3.46Å; V95-V99 HydrophobicContact CG1-CG2 3.77Å; V95-V99 WeakPolarHBondContact O-CG2 3.35Å; V95-V99 PolarHBondContact O-N 2.79Å
96E89.4Confident91.6Very high170 Ų17064.7 Ų64.779%0.79434%0.344SS*.Hα-helixtrans-54.1-32.6175.8-61158.7-156.700113P94 P100P94-E96 PolarHBondContact O-N 2.96Å; E96-P100 VanDerWaalsContact O-CD 3.29Å; E96-P100 WeakPolarHBondContact O-CD 3.33Å
97K88.8Confident91.6Very high81 Ų8166 Ų6635%0.35235%0.352SS..Hα-helixtrans-80.7-23.3176.5-68.3-171.8175.8-172.90112.7N8 Y93 P94 V95 F101N8-K97 PolarHBondContact OD1-NZ 2.92Å; Y93-K97 HydrophobicContact CE1-CB 3.72Å; Y93-K97 HydrophobicContact CE1-CD 4.49Å; P94-K97 HydrophobicContact CB-CD 4.42Å; P94-K97 HydrophobicContact CB-CG 4.24Å; P94-K97 WeakPolarHBondContact O-CB 3.38Å; P94-K97 PolarHBondContact O-N 3.2Å; V95-K97 PolarHBondContact O-N 2.81Å; V95-K97 VanDerWaalsContact O-N 3.14Å; K97-F101 WeakPolarHBondContact O-CD2 3.38Å; K97-F101 WeakPolarHBondContact O-CE2 3.46Å
98M90.5Very high91.7Very high4 Ų464.5 Ų64.52%0.0235%0.346CS..Hα-helixtrans-84.8-44.5179.8-60.8174.966.400111.9W77 Y93 V95 P100 F101 L102 L134W77-M98 HydrophobicContact CD2-CG 4.19Å; W77-M98 HydrophobicContact CE3-CE 3.54Å; W77-M98 HydrophobicContact CE3-CG 4.03Å; W77-M98 HydrophobicContact CE3-SD 4.31Å; W77-M98 HydrophobicContact CH2-CB 3.96Å; W77-M98 HydrophobicContact CH2-CE 4.27Å; W77-M98 HydrophobicContact CH2-CG 4.01Å; W77-M98 HydrophobicContact CZ2-CB 4.34Å; W77-M98 HydrophobicContact CZ2-CG 4.18Å; W77-M98 HydrophobicContact CZ3-CB 4.25Å; W77-M98 HydrophobicContact CZ3-CE 3.43Å; W77-M98 VanDerWaalsContact CZ3-CE 3.43Å; W77-M98 HydrophobicContact CZ3-CG 3.98Å; W77-M98 HydrophobicContact CZ3-SD 4.46Å; Y93-M98 HydrophobicContact CD1-CG 3.52Å; Y93-M98 HydrophobicContact CD1-SD 3.78Å; Y93-M98 HydrophobicContact CE1-CG 3.73Å; V95-M98 WeakPolarHBondContact O-CA 3.44Å; V95-M98 WeakPolarHBondContact O-CB 3.46Å; V95-M98 PolarHBondContact O-N 3.46Å; M98-P100 VanDerWaalsContact C-N 3.32Å; M98-P100 VanDerWaalsContact O-N 3.12Å; M98-F101 PolarHBondContact O-N 3.18Å; M98-L102 HydrophobicContact CB-CD1 3.77Å; M98-L102 HydrophobicContact CB-CG 4.39Å; M98-L102 HydrophobicContact CE-CD1 3.83Å; M98-L102 WeakPolarHBondContact O-CG 2.83Å; M98-L102 PolarHBondContact O-N 2.8Å; M98-L134 HydrophobicContact CE-CD1 4.46Å; M98-L134 HydrophobicContact CE-CD2 3.72Å
99V89.4Confident91.7Very high73 Ų7363 Ų6344%0.44233%0.331SS..G310 helixtrans-45.7-44-173.6165.80000114.1V95 F101 L102 H103V95-V99 HydrophobicContact CG1-CG2 3.77Å; V95-V99 WeakPolarHBondContact O-CG2 3.35Å; V95-V99 PolarHBondContact O-N 2.79Å; V99-F101 PolarHBondContact O-N 2.86Å; V99-L102 PolarHBondContact O-N 2.84Å; V99-L102 VanDerWaalsContact O-N 3.13Å; V99-H103 PolarHBondContact O-N 3.15Å
100P91.2Very high91.8Very high80 Ų8062.6 Ų62.652%0.51933%0.326SS..G310 helixtrans-57.6-23.7179.4-26.635.9000114.7E96 M98E96-P100 VanDerWaalsContact O-CD 3.29Å; E96-P100 WeakPolarHBondContact O-CD 3.33Å; M98-P100 VanDerWaalsContact C-N 3.32Å; M98-P100 VanDerWaalsContact O-N 3.12Å
101F92.2Very high91.9Very high41 Ų4166.7 Ų66.718%0.1834%0.344CS..G310 helixtrans-107-3.4-175.8-48.9-68000113.5W77 K97 M98 V99 H147 F149 R173W77-F101 HydrophobicContact CZ2-CD2 4.04Å; K97-F101 WeakPolarHBondContact O-CD2 3.38Å; K97-F101 WeakPolarHBondContact O-CE2 3.46Å; M98-F101 PolarHBondContact O-N 3.18Å; V99-F101 PolarHBondContact O-N 2.86Å; F101-H147 AromaticContact CD1-CE1 3.67Å; F101-H147 AromaticContact CD1-ND1 3.83Å; F101-H147 PolarHBondContact O-CD2 2.67Å; F101-H147 VanDerWaalsContact O-CD2 3.3Å; F101-F149 HydrophobicContact CB-CE1 4.49Å; F101-F149 HydrophobicContact CB-CZ 3.93Å; F101-R173 VanDerWaalsContact CG-CD 3.48Å
102L90.3Very high92Very high4 Ų460.8 Ų60.82%0.02132%0.319CS..THydrogen-bonded Turntrans-115-3.1-175.6-59.1-174.6000113.3W77 M98 V99 P135 F136 E137 G138 F149W77-L102 HydrophobicContact CH2-CD1 4.38Å; W77-L102 HydrophobicContact CH2-CD2 4.05Å; W77-L102 HydrophobicContact CH2-CG 4.2Å; W77-L102 HydrophobicContact CZ3-CD1 4.34Å; W77-L102 HydrophobicContact CZ3-CD2 4.23Å; M98-L102 HydrophobicContact CB-CD1 3.77Å; M98-L102 HydrophobicContact CB-CG 4.39Å; M98-L102 HydrophobicContact CE-CD1 3.83Å; M98-L102 WeakPolarHBondContact O-CG 2.83Å; M98-L102 PolarHBondContact O-N 2.8Å; V99-L102 PolarHBondContact O-N 2.84Å; V99-L102 VanDerWaalsContact O-N 3.13Å; L102-P135 WeakPolarHBondContact CB-O 3.37Å; L102-P135 HydrophobicContact CD1-CG 3.94Å; L102-F136 HydrophobicContact CD2-CD1 3.35Å; L102-F136 HydrophobicContact CD2-CE1 3.15Å; L102-F136 HydrophobicContact CD2-CE2 4.42Å; L102-F136 HydrophobicContact CD2-CG 4.06Å; L102-F136 HydrophobicContact CD2-CZ 3.73Å; L102-E137 CarbonylContact O-C 3.59Å; L102-E137 WeakPolarHBondContact O-CA 3.47Å; L102-E137 WeakPolarHBondContact O-CB 3.23Å; L102-E137 PolarHBondContact O-N 2.98Å; L102-G138 PolarHBondContact O-N 3.44Å; L102-F149 HydrophobicContact CD2-CE1 4.39Å; L102-F149 HydrophobicContact CD2-CE2 4.1Å; L102-F149 HydrophobicContact CD2-CZ 3.72Å
103H89.4Confident92.2Very high79 Ų7957.3 Ų57.337%0.36630%0.298SS..  trans-61.9151.2-174.3-169.2-98.9000113.7V99 D105 S106 G138V99-H103 PolarHBondContact O-N 3.15Å; H103-D105 VanDerWaalsContact C-N 3.27Å; H103-D105 IonicContact CE1-OD2 3.38Å; H103-D105 PolarHBondContact CE1-OD2 2.98Å; H103-D105 PolarHBondContact ND1-N 3.05Å; H103-D105 IonicContact ND1-OD2 3.93Å; H103-D105 PolarHBondContact O-N 2.83Å; H103-S106 WeakPolarHBondContact O-CB 3.42Å; H103-S106 PolarHBondContact O-N 2.97Å; H103-S106 PolarHBondContact O-OG 3.25Å; H103-G138 VanDerWaalsContact O-CA 3.24Å; H103-G138 WeakPolarHBondContact O-CA 3.35Å; H103-G138 PolarHBondContact O-N 2.94Å
104S89.9Confident92.3Very high51 Ų5157.9 Ų57.936%0.35731%0.305SS..THydrogen-bonded Turntrans-57.9-29.6-177.858.30000115.8S106 E137S104-S106 PolarHBondContact O-N 2.81Å; S104-E137 WeakPolarHBondContact CA-O 3.41Å
105D90.4Very high92.5Very high138 Ų13856.7 Ų56.774%0.73829%0.294SS*.THydrogen-bonded Turntrans-78.4-5.9175.6-66.3-36.8000113.9H103H103-D105 VanDerWaalsContact C-N 3.27Å; H103-D105 IonicContact CE1-OD2 3.38Å; H103-D105 PolarHBondContact CE1-OD2 2.98Å; H103-D105 PolarHBondContact ND1-N 3.05Å; H103-D105 IonicContact ND1-OD2 3.93Å; H103-D105 PolarHBondContact O-N 2.83Å
106S93.1Very high92.7Very high8 Ų855.1 Ų55.16%0.05628%0.283CS..  trans-98162.3-179.279.10000112.3H103 S104 G138 K139H103-S106 WeakPolarHBondContact O-CB 3.42Å; H103-S106 PolarHBondContact O-N 2.97Å; H103-S106 PolarHBondContact O-OG 3.25Å; S104-S106 PolarHBondContact O-N 2.81Å; S106-G138 CarbonylContact O-C 3.54Å; S106-G138 WeakPolarHBondContact O-CA 3.35Å; S106-K139 PolarHBondContact O-N 3.47Å
107T95.6Very high92.8Very high31 Ų3149.6 Ų49.619%0.1926%0.256CS..EExtended strand (participates in β ladder)trans-118.7139.8172.556.30000111.6K139 N141 Q146 H147T107-K139 CarbonylContact C-O 3.53Å; T107-K139 WeakPolarHBondContact CA-O 3.33Å; T107-K139 HydrophobicContact CG2-CB 4.4Å; T107-N141 HydrophobicContact CG2-CB 4.24Å; T107-Q146 PolarHBondContact O-N 2.89Å; T107-Q146 PolarHBondContact OG1-N 3.01Å; T107-Q146 PolarHBondContact OG1-OE1 2.95Å; T107-Q146 VanDerWaalsContact OG1-OE1 3.11Å; T107-H147 PolarHBondContact O-N 3.28Å
108Y96.2Very high93Very high33 Ų3352 Ų5213%0.12928%0.277CS..EExtended strand (participates in β ladder)trans-136.8164.9-179.176.7-83.9000114.1I110 F136 G138 K139 V140 N141 H147 F149Y108-I110 HydrophobicContact CD2-CG1 4.04Å; Y108-I110 HydrophobicContact CE2-CD1 4.11Å; Y108-I110 HydrophobicContact CE2-CG1 3.92Å; Y108-F136 HydrophobicContact CD1-CD1 4.01Å; Y108-F136 AromaticContact CD2-CD1 3.79Å; Y108-F136 HydrophobicContact CD2-CD1 3.79Å; Y108-F136 AromaticContact CD2-CE1 3.76Å; Y108-F136 HydrophobicContact CD2-CE1 3.76Å; Y108-F136 HydrophobicContact CE1-CB 4.16Å; Y108-F136 AromaticContact CE1-CD1 3.73Å; Y108-F136 HydrophobicContact CE1-CD1 3.73Å; Y108-F136 HydrophobicContact CE1-CG 4.33Å; Y108-F136 AromaticContact CE2-CD1 3.5Å; Y108-F136 HydrophobicContact CE2-CD1 3.5Å; Y108-F136 AromaticContact CE2-CE1 3.78Å; Y108-F136 HydrophobicContact CE2-CE1 3.78Å; Y108-F136 HydrophobicContact CE2-CG 4.16Å; Y108-F136 HydrophobicContact CG-CD1 4.04Å; Y108-F136 HydrophobicContact CG-CE1 4.21Å; Y108-F136 AromaticContact CZ-CD1 3.48Å; Y108-F136 VanDerWaalsContact CZ-CD1 3.48Å; Y108-F136 AromaticContact CZ-CG 3.89Å; Y108-G138 VanDerWaalsContact CE1-O 3.29Å; Y108-G138 WeakPolarHBondContact CE1-O 3.36Å; Y108-K139 PolarHBondContact N-O 3.11Å; Y108-V140 HydrophobicContact CE1-CG2 4.17Å; Y108-V140 HydrophobicContact CE2-CG2 4.3Å; Y108-V140 WeakPolarHBondContact O-CA 3.29Å; Y108-N141 PolarHBondContact O-N 3.4Å; Y108-H147 CarbonylContact C-O 3.57Å; Y108-H147 WeakPolarHBondContact CA-O 3.4Å; Y108-F149 HydrophobicContact CD2-CD2 4.15Å; Y108-F149 HydrophobicContact CD2-CE2 4.43Å; Y108-F149 HydrophobicContact CG-CD2 4.46Å; Y108-F149 HydrophobicContact CG-CE2 4.33Å
109K96Very high93.1Very high35 Ų3552.1 Ų52.115%0.15228%0.278CS..EExtended strand (participates in β ladder)trans-140.4151.9160.575.4-173.8162.3-174.30110.3L142 P145 H147 V148 F149K109-L142 HydrophobicContact CB-CD2 4.3Å; K109-L142 PolarHBondContact NZ-O 2.81Å; K109-P145 HydrophobicContact CB-CB 4.46Å; K109-P145 HydrophobicContact CB-CG 4.27Å; K109-P145 HydrophobicContact CD-CG 3.65Å; K109-P145 HydrophobicContact CG-CB 4.39Å; K109-P145 HydrophobicContact CG-CG 3.74Å; K109-H147 PolarHBondContact N-O 2.9Å; K109-V148 HydrophobicContact CG-CG1 4.18Å; K109-V148 HydrophobicContact CG-CG2 4.18Å; K109-F149 PolarHBondContact O-N 2.81Å
110I96.5Very high93.3Very high25 Ų2552.4 Ų52.413%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-106.3128.4171.9-53.4-175.1000108.1Y108 I128 L131 F136 F149 V151 F171Y108-I110 HydrophobicContact CD2-CG1 4.04Å; Y108-I110 HydrophobicContact CE2-CD1 4.11Å; Y108-I110 HydrophobicContact CE2-CG1 3.92Å; I110-I128 HydrophobicContact CB-CD1 4.49Å; I110-I128 HydrophobicContact CB-CG1 4.25Å; I110-I128 HydrophobicContact CD1-CG2 4.33Å; I110-I128 HydrophobicContact CG2-CG1 4.08Å; I110-L131 HydrophobicContact CD1-CD1 4.2Å; I110-L131 HydrophobicContact CG2-CD1 4.4Å; I110-F136 HydrophobicContact CD1-CE2 4.25Å; I110-F136 HydrophobicContact CD1-CZ 4.09Å; I110-F149 CarbonylContact C-O 3.58Å; I110-F149 WeakPolarHBondContact CA-O 3.05Å; I110-F149 HydrophobicContact CG1-CB 4.25Å; I110-V151 HydrophobicContact CG2-CG2 4.4Å; I110-F171 HydrophobicContact CG2-CE2 4.41Å
111K96.1Very high93.4Very high87 Ų8755 Ų5538%0.37829%0.285SS..EExtended strand (participates in β ladder)trans-106.2152.2173.2-73.9-177.1172.2176.80109.7V148 F149 S150 V151K111-V148 HydrophobicContact CD-CG1 3.91Å; K111-V148 HydrophobicContact CG-CG1 4.17Å; K111-F149 PolarHBondContact N-O 3.05Å; K111-S150 CarbonylContact O-C 3.53Å; K111-S150 VanDerWaalsContact O-CA 3.26Å; K111-S150 WeakPolarHBondContact O-CA 3.48Å; K111-V151 PolarHBondContact O-N 2.69Å
112I96Very high93.6Very high25 Ų2559.9 Ų59.913%0.12831%0.309CS..EExtended strand (participates in β ladder)trans-117.5123.8171-57-165000108.5T114 L119 K124 R127 I128 V151I112-T114 HydrophobicContact CG2-CG2 4.15Å; I112-L119 HydrophobicContact CG2-CD1 4.03Å; I112-K124 HydrophobicContact CB-CG 4.23Å; I112-K124 HydrophobicContact CD1-CB 3.9Å; I112-K124 HydrophobicContact CD1-CG 4.14Å; I112-K124 WeakPolarHBondContact CD1-O 3.36Å; I112-K124 HydrophobicContact CG2-CG 4.47Å; I112-R127 HydrophobicContact CD1-CB 3.44Å; I112-R127 VanDerWaalsContact CD1-CB 3.44Å; I112-R127 HydrophobicContact CD1-CG 4.27Å; I112-I128 HydrophobicContact CD1-CG1 4.18Å; I112-I128 HydrophobicContact CG1-CG1 4.5Å; I112-V151 WeakPolarHBondContact CA-O 3.39Å; I112-V151 HydrophobicContact CG1-CB 4.25Å
113H95.1Very high93.8Very high64 Ų6462.2 Ų62.230%0.29632%0.32SS..EExtended strand (participates in β ladder)trans-118116.5178.8-71.5-82.3000109V151 L152 E153H113-V151 PolarHBondContact N-O 3.36Å; H113-L152 HydrophobicContact CB-CD2 4.19Å; H113-L152 HydrophobicContact CB-CG 4.16Å; H113-L152 CarbonylContact O-C 3.49Å; H113-L152 VanDerWaalsContact O-CA 3.23Å; H113-L152 WeakPolarHBondContact O-CA 3.41Å; H113-E153 PolarHBondContact O-N 3.33Å
114T94.5Very high94Very high44 Ų4461.2 Ų61.227%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-111.2138.4177.551.40000109.7I112 K117 L119 E153 Y155I112-T114 HydrophobicContact CG2-CG2 4.15Å; T114-K117 VanDerWaalsContact CB-O 3.3Å; T114-K117 WeakPolarHBondContact CB-O 3.37Å; T114-K117 PolarHBondContact OG1-O 3.1Å; T114-L119 HydrophobicContact CG2-CD1 3.49Å; T114-L119 VanDerWaalsContact CG2-CD1 3.49Å; T114-L119 HydrophobicContact CG2-CG 3.68Å; T114-E153 HydrophobicContact CG2-CB 4.1Å; T114-E153 WeakPolarHBondContact CG2-OE2 3.32Å; T114-Y155 HydrophobicContact CG2-CE2 4.15Å
115F93.8Very high94.2Very high36 Ų3663.1 Ų63.116%0.15832%0.32CS..EExtended strand (participates in β ladder)trans-100.2131.2169.2-175.1-101.5000109.4Q16 P48 F49 K117 E153 Y155 G156 L157Q16-F115 HydrophobicContact CG-CE2 3.62Å; Q16-F115 HydrophobicContact CG-CZ 3.72Å; P48-F115 HydrophobicContact CB-CD2 4.03Å; P48-F115 HydrophobicContact CB-CE2 4.13Å; P48-F115 HydrophobicContact CB-CG 4.36Å; P48-F115 HydrophobicContact CG-CB 4.21Å; P48-F115 HydrophobicContact CG-CD1 3.58Å; P48-F115 HydrophobicContact CG-CD2 3.64Å; P48-F115 HydrophobicContact CG-CE1 3.79Å; P48-F115 HydrophobicContact CG-CE2 3.86Å; P48-F115 HydrophobicContact CG-CG 3.5Å; P48-F115 HydrophobicContact CG-CZ 3.94Å; F49-F115 HydrophobicContact CE2-CB 3.66Å; F49-F115 HydrophobicContact CE2-CG 4.38Å; F49-F115 HydrophobicContact CZ-CB 3.95Å; F115-K117 PolarHBondContact O-N 3.39Å; F115-K117 VanDerWaalsContact O-N 3.14Å; F115-E153 PolarHBondContact N-O 2.94Å; F115-Y155 WeakPolarHBondContact O-CB 3.49Å; F115-Y155 WeakPolarHBondContact O-CD2 3.28Å; F115-Y155 PolarHBondContact O-N 2.92Å; F115-G156 WeakPolarHBondContact CD1-O 3.27Å; F115-G156 VanDerWaalsContact CE1-O 3.31Å; F115-G156 WeakPolarHBondContact CE1-O 3.48Å; F115-L157 HydrophobicContact CE1-CD2 3.86Å; F115-L157 HydrophobicContact CZ-CD2 4.25Å
116N91.8Very high94.4Very high49 Ų4962.6 Ų62.626%0.26231%0.311SS..SBendtrans5915.9-179.4-79.5-4.8000116.9G156 L157 I162N116-G156 WeakPolarHBondContact CB-O 3.38Å; N116-G156 PolarHBondContact ND2-O 3.12Å; N116-L157 VanDerWaalsContact ND2-C 3.33Å; N116-L157 PolarHBondContact ND2-O 3.4Å; N116-I162 WeakPolarHBondContact O-CD1 3.48Å; N116-I162 VanDerWaalsContact O-CG1 3.29Å; N116-I162 WeakPolarHBondContact O-CG1 3.46Å; N116-I162 WeakPolarHBondContact O-CG2 3.3Å
117K92.1Very high94.4Very high53 Ų5366 Ų6623%0.2332%0.322CS..  trans-142148.6169.3-165.3172-174.4168.70110.8T114 F115 L119 Y155 I162 E164T114-K117 VanDerWaalsContact CB-O 3.3Å; T114-K117 WeakPolarHBondContact CB-O 3.37Å; T114-K117 PolarHBondContact OG1-O 3.1Å; F115-K117 PolarHBondContact O-N 3.39Å; F115-K117 VanDerWaalsContact O-N 3.14Å; K117-L119 HydrophobicContact CD-CD2 4.09Å; K117-L119 HydrophobicContact CG-CD2 4.32Å; K117-Y155 HydrophobicContact CB-CD1 4.28Å; K117-Y155 HydrophobicContact CB-CD2 3.5Å; K117-Y155 HydrophobicContact CB-CE2 3.76Å; K117-Y155 HydrophobicContact CB-CG 3.78Å; K117-Y155 HydrophobicContact CD-CD1 3.64Å; K117-Y155 HydrophobicContact CD-CD2 4.06Å; K117-Y155 HydrophobicContact CD-CE1 3.3Å; K117-Y155 HydrophobicContact CD-CE2 3.72Å; K117-Y155 HydrophobicContact CD-CG 4.02Å; K117-Y155 HydrophobicContact CG-CD2 4.43Å; K117-Y155 HydrophobicContact CG-CE2 4.33Å; K117-I162 HydrophobicContact CB-CG2 4.14Å; K117-I162 HydrophobicContact CD-CG2 4.23Å; K117-I162 HydrophobicContact CG-CG2 4.21Å; K117-E164 PolarHBondContact NZ-O 3.07Å
118T92.1Very high94.3Very high131 Ų13167.4 Ų67.480%0.80433%0.328SS*.  trans-107.9127.1168.4-60.60000108.6
119L92.9Very high94.2Very high8 Ų870.2 Ų70.24%0.04235%0.345CS..  trans-100143.8175.6-59.6-178.3000111.3I112 T114 K117 E123 K124I112-L119 HydrophobicContact CG2-CD1 4.03Å; T114-L119 HydrophobicContact CG2-CD1 3.49Å; T114-L119 VanDerWaalsContact CG2-CD1 3.49Å; T114-L119 HydrophobicContact CG2-CG 3.68Å; K117-L119 HydrophobicContact CD-CD2 4.09Å; K117-L119 HydrophobicContact CG-CD2 4.32Å; L119-E123 HydrophobicContact CB-CB 4.27Å; L119-K124 HydrophobicContact CB-CG 4.03Å; L119-K124 HydrophobicContact CD1-CG 4.47Å; L119-K124 VanDerWaalsContact O-CE 3.32Å; L119-K124 WeakPolarHBondContact O-CE 3.31Å
120T94.7Very high94Very high78 Ų7870.2 Ų70.248%0.47935%0.352SS..  trans-65.4163.8167.664.60000111.2E122 E123 K124T120-E122 VanDerWaalsContact C-N 3.34Å; T120-E123 WeakPolarHBondContact CB-OE2 3.38Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.32Å; T120-E123 PolarHBondContact N-OE2 2.81Å; T120-E123 PolarHBondContact O-N 2.79Å; T120-E123 WeakPolarHBondContact OG1-CB 3.2Å; T120-E123 VanDerWaalsContact OG1-CD 3.29Å; T120-E123 WeakPolarHBondContact OG1-CG 3.41Å; T120-E123 PolarHBondContact OG1-N 3.3Å; T120-E123 PolarHBondContact OG1-OE2 3.21Å; T120-K124 WeakPolarHBondContact O-CG 3.13Å; T120-K124 PolarHBondContact O-N 2.86Å; T120-K124 VanDerWaalsContact O-N 3.1Å
121Q93.5Very high93.8Very high134 Ų13469.2 Ų69.263%0.62635%0.346SS*.Hα-helixtrans-66.8-37.1176.7-65.5-65.45.400112.2K124 I125Q121-K124 PolarHBondContact O-N 3Å; Q121-I125 WeakPolarHBondContact O-CG1 3.38Å; Q121-I125 PolarHBondContact O-N 2.82Å
122E95.5Very high93.6Very high144 Ų14473.2 Ų73.267%0.67337%0.367SS*.Hα-helixtrans-62.4-43.8176.7-66.7179.1-170.100111.9T120 K124 I125 K126T120-E122 VanDerWaalsContact C-N 3.34Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.46Å; E122-I125 PolarHBondContact O-N 2.62Å; E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.28Å
123E94.1Very high93.3Very high54 Ų5476 Ų7625%0.25238%0.378SS..Hα-helixtrans-60.6-44.7173.7-73.3165.6131.200110.7L119 T120 I125 K126 R127L119-E123 HydrophobicContact CB-CB 4.27Å; T120-E123 WeakPolarHBondContact CB-OE2 3.38Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.32Å; T120-E123 PolarHBondContact N-OE2 2.81Å; T120-E123 PolarHBondContact O-N 2.79Å; T120-E123 WeakPolarHBondContact OG1-CB 3.2Å; T120-E123 VanDerWaalsContact OG1-CD 3.29Å; T120-E123 WeakPolarHBondContact OG1-CG 3.41Å; T120-E123 PolarHBondContact OG1-N 3.3Å; T120-E123 PolarHBondContact OG1-OE2 3.21Å; E123-I125 VanDerWaalsContact C-N 3.33Å; E123-I125 PolarHBondContact O-N 3.19Å; E123-K126 WeakPolarHBondContact O-CB 3.47Å; E123-K126 PolarHBondContact O-N 3.01Å; E123-R127 WeakPolarHBondContact O-CD 3.32Å; E123-R127 PolarHBondContact O-N 3.04Å; E123-R127 VanDerWaalsContact O-N 3.15Å
124K94.6Very high93.1Very high58 Ų5873.5 Ų73.525%0.25237%0.367SS..Hα-helixtrans-60.5-43.3179.6-71.2171.4-173.3171.30112.6I112 L119 T120 Q121 E122 K126 R127 I128I112-K124 HydrophobicContact CB-CG 4.23Å; I112-K124 HydrophobicContact CD1-CB 3.9Å; I112-K124 HydrophobicContact CD1-CG 4.14Å; I112-K124 WeakPolarHBondContact CD1-O 3.36Å; I112-K124 HydrophobicContact CG2-CG 4.47Å; L119-K124 HydrophobicContact CB-CG 4.03Å; L119-K124 HydrophobicContact CD1-CG 4.47Å; L119-K124 VanDerWaalsContact O-CE 3.32Å; L119-K124 WeakPolarHBondContact O-CE 3.31Å; T120-K124 WeakPolarHBondContact O-CG 3.13Å; T120-K124 PolarHBondContact O-N 2.86Å; T120-K124 VanDerWaalsContact O-N 3.1Å; Q121-K124 PolarHBondContact O-N 3Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.46Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-R127 PolarHBondContact O-N 3.09Å; K124-I128 WeakPolarHBondContact O-CG1 3.44Å; K124-I128 PolarHBondContact O-N 3.17Å; K124-I128 VanDerWaalsContact O-N 3.16Å
125I93.8Very high92.9Very high91 Ų9174.2 Ų74.247%0.46737%0.372SS..Hα-helixtrans-59.9-46.8176.2-68.6164.9000109.9Q121 E122 E123 R127 I128 D129Q121-I125 WeakPolarHBondContact O-CG1 3.38Å; Q121-I125 PolarHBondContact O-N 2.82Å; E122-I125 PolarHBondContact O-N 2.62Å; E123-I125 VanDerWaalsContact C-N 3.33Å; E123-I125 PolarHBondContact O-N 3.19Å; I125-R127 PolarHBondContact O-N 3.16Å; I125-R127 VanDerWaalsContact O-N 3.14Å; I125-I128 WeakPolarHBondContact O-CA 3.33Å; I125-I128 WeakPolarHBondContact O-CB 3.22Å; I125-I128 PolarHBondContact O-N 2.79Å; I125-D129 WeakPolarHBondContact CG2-OD2 3.33Å; I125-D129 VanDerWaalsContact O-CG 3.3Å; I125-D129 PolarHBondContact O-N 2.64Å
126K94.4Very high92.7Very high126 Ų12674.3 Ų74.355%0.54837%0.373SS..Hα-helixtrans-55-36.4176.6-72.5171.5179.8174.30113.6E122 E123 K124 A130E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.28Å; E123-K126 WeakPolarHBondContact O-CB 3.47Å; E123-K126 PolarHBondContact O-N 3.01Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K126-A130 WeakPolarHBondContact O-CB 3.44Å; K126-A130 PolarHBondContact O-N 3.37Å; K126-A130 VanDerWaalsContact O-N 3.15Å
127R93.8Very high92.6Very high81 Ų8178 Ų7831%0.30639%0.389SS..Hα-helixtrans-74.2-31.9178.4-81.175.7-178.5132.3-7.5111.7I112 E123 K124 I125I112-R127 HydrophobicContact CD1-CB 3.44Å; I112-R127 VanDerWaalsContact CD1-CB 3.44Å; I112-R127 HydrophobicContact CD1-CG 4.27Å; E123-R127 WeakPolarHBondContact O-CD 3.32Å; E123-R127 PolarHBondContact O-N 3.04Å; E123-R127 VanDerWaalsContact O-N 3.15Å; K124-R127 PolarHBondContact O-N 3.09Å; I125-R127 PolarHBondContact O-N 3.16Å; I125-R127 VanDerWaalsContact O-N 3.14Å
128I93.2Very high92.4Very high59 Ų5976 Ų7630%0.30338%0.383SS..Hα-helixtrans-70.6-47.8174.9-68.3168.9000109.9I110 I112 K124 I125 A130 L131I110-I128 HydrophobicContact CB-CD1 4.49Å; I110-I128 HydrophobicContact CB-CG1 4.25Å; I110-I128 HydrophobicContact CD1-CG2 4.33Å; I110-I128 HydrophobicContact CG2-CG1 4.08Å; I112-I128 HydrophobicContact CD1-CG1 4.18Å; I112-I128 HydrophobicContact CG1-CG1 4.5Å; K124-I128 WeakPolarHBondContact O-CG1 3.44Å; K124-I128 PolarHBondContact O-N 3.17Å; K124-I128 VanDerWaalsContact O-N 3.16Å; I125-I128 WeakPolarHBondContact O-CA 3.33Å; I125-I128 WeakPolarHBondContact O-CB 3.22Å; I125-I128 PolarHBondContact O-N 2.79Å; I128-A130 PolarHBondContact O-N 3.04Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.85Å
129D93.3Very high92.5Very high92 Ų9277.1 Ų77.149%0.49238%0.376SS..Hα-helixtrans-60.4-35.5179.5-61.6-17.4000111.3I125 L131 E132I125-D129 WeakPolarHBondContact CG2-OD2 3.33Å; I125-D129 VanDerWaalsContact O-CG 3.3Å; I125-D129 PolarHBondContact O-N 2.64Å; D129-L131 PolarHBondContact O-N 3.19Å; D129-E132 VanDerWaalsContact O-CB 3.24Å; D129-E132 WeakPolarHBondContact O-CB 3.43Å; D129-E132 PolarHBondContact O-N 3.1Å
130A92.8Very high92.5Very high35 Ų3581.1 Ų81.129%0.28940%0.401SS..THydrogen-bonded Turntrans-63.6-11.7175.900000114.4Y87 K126 I128 F133Y87-A130 VanDerWaalsContact OH-CB 3.28Å; Y87-A130 WeakPolarHBondContact OH-CB 3.35Å; K126-A130 WeakPolarHBondContact O-CB 3.44Å; K126-A130 PolarHBondContact O-N 3.37Å; K126-A130 VanDerWaalsContact O-N 3.15Å; I128-A130 PolarHBondContact O-N 3.04Å; A130-F133 VanDerWaalsContact O-CD1 3.26Å; A130-F133 WeakPolarHBondContact O-CD1 3.43Å; A130-F133 VanDerWaalsContact O-CE1 3.23Å; A130-F133 WeakPolarHBondContact O-CE1 3.17Å
131L92.7Very high92.5Very high4 Ų480 Ų802%0.02139%0.392CS..THydrogen-bonded Turntrans-95.75.6175.7-60.9170.6000113.5Y87 L90 I110 I128 D129 F133 L134 V151 F171Y87-L131 HydrophobicContact CE1-CD2 4.45Å; L90-L131 HydrophobicContact CD1-CD2 4.05Å; I110-L131 HydrophobicContact CD1-CD1 4.2Å; I110-L131 HydrophobicContact CG2-CD1 4.4Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.85Å; D129-L131 PolarHBondContact O-N 3.19Å; L131-F133 HydrophobicContact CD2-CE1 4.38Å; L131-F133 PolarHBondContact O-N 3.5Å; L131-L134 HydrophobicContact CB-CD1 4.44Å; L131-L134 HydrophobicContact CD2-CD1 4.32Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 2.73Å; L131-V151 HydrophobicContact CD1-CG2 3.7Å; L131-F171 HydrophobicContact CD1-CD2 3.83Å; L131-F171 HydrophobicContact CD1-CE2 3.43Å; L131-F171 VanDerWaalsContact CD1-CE2 3.43Å; L131-F171 HydrophobicContact CD1-CZ 4.18Å; L131-F171 HydrophobicContact CD2-CD2 4.41Å
132E90Very high92.5Very high172 Ų17279.8 Ų79.880%0.80440%0.395SS*.THydrogen-bonded Turntrans-57.6-22.7-179.2-174.1176.2-164.200113.4D129 L134D129-E132 VanDerWaalsContact O-CB 3.24Å; D129-E132 WeakPolarHBondContact O-CB 3.43Å; D129-E132 PolarHBondContact O-N 3.1Å; E132-L134 PolarHBondContact O-N 3.21Å
133F90.5Very high92.3Very high82 Ų8282.5 Ų82.536%0.3640%0.404SS..THydrogen-bonded Turntrans-68.6-13.8175.671.4-92.1000114.1Y87 L90 K91 A130 L131Y87-F133 AromaticContact CD1-CE1 3.52Å; Y87-F133 HydrophobicContact CD1-CE1 3.52Å; Y87-F133 AromaticContact CD1-CZ 3.69Å; Y87-F133 HydrophobicContact CD1-CZ 3.69Å; Y87-F133 HydrophobicContact CE1-CE1 4.07Å; Y87-F133 AromaticContact CG-CE1 3.88Å; Y87-F133 HydrophobicContact CG-CE1 3.88Å; Y87-F133 HydrophobicContact CG-CZ 4.03Å; L90-F133 HydrophobicContact CB-CE2 4.19Å; L90-F133 HydrophobicContact CB-CZ 4.24Å; L90-F133 HydrophobicContact CD1-CZ 3.99Å; K91-F133 HydrophobicContact CG-CD2 4.34Å; K91-F133 HydrophobicContact CG-CE2 4.14Å; A130-F133 VanDerWaalsContact O-CD1 3.26Å; A130-F133 WeakPolarHBondContact O-CD1 3.43Å; A130-F133 VanDerWaalsContact O-CE1 3.23Å; A130-F133 WeakPolarHBondContact O-CE1 3.17Å; L131-F133 HydrophobicContact CD2-CE1 4.38Å; L131-F133 PolarHBondContact O-N 3.5Å
134L91.3Very high92.3Very high12 Ų1288.3 Ų88.36%0.06343%0.429CS..SBendtrans-79.7144.1174.9-67.4179.8000110.3L90 M98 L131 E132 F136 F171L90-L134 HydrophobicContact CB-CD2 4.31Å; L90-L134 HydrophobicContact CD1-CD1 4.37Å; M98-L134 HydrophobicContact CE-CD1 4.46Å; M98-L134 HydrophobicContact CE-CD2 3.72Å; L131-L134 HydrophobicContact CB-CD1 4.44Å; L131-L134 HydrophobicContact CD2-CD1 4.32Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 2.73Å; E132-L134 PolarHBondContact O-N 3.21Å; L134-F136 HydrophobicContact CB-CD2 3.67Å; L134-F136 HydrophobicContact CB-CE2 3.6Å; L134-F136 HydrophobicContact CD1-CE2 3.78Å; L134-F136 HydrophobicContact CG-CE2 4.34Å; L134-F136 PolarHBondContact O-N 3.36Å; L134-F171 HydrophobicContact CD1-CD1 4.35Å; L134-F171 HydrophobicContact CD1-CE1 3.77Å; L134-F171 HydrophobicContact CD1-CZ 4.11Å
135P89.8Confident92.4Very high60 Ų6086.7 Ų86.739%0.3942%0.424SS..  trans-78.659.9-172.733.9-37000112.2L102 E137L102-P135 WeakPolarHBondContact CB-O 3.37Å; L102-P135 HydrophobicContact CD1-CG 3.94Å; P135-E137 PolarHBondContact O-N 3.48Å
136F89.6Confident92.5Very high38 Ų3888.2 Ų88.217%0.16743%0.429CS..  trans-75103.2173.9-78-83.4000110.1L102 Y108 I110 L134 F149 F171L102-F136 HydrophobicContact CD2-CD1 3.35Å; L102-F136 HydrophobicContact CD2-CE1 3.15Å; L102-F136 HydrophobicContact CD2-CE2 4.42Å; L102-F136 HydrophobicContact CD2-CG 4.06Å; L102-F136 HydrophobicContact CD2-CZ 3.73Å; Y108-F136 HydrophobicContact CD1-CD1 4.01Å; Y108-F136 AromaticContact CD2-CD1 3.79Å; Y108-F136 HydrophobicContact CD2-CD1 3.79Å; Y108-F136 AromaticContact CD2-CE1 3.76Å; Y108-F136 HydrophobicContact CD2-CE1 3.76Å; Y108-F136 HydrophobicContact CE1-CB 4.16Å; Y108-F136 AromaticContact CE1-CD1 3.73Å; Y108-F136 HydrophobicContact CE1-CD1 3.73Å; Y108-F136 HydrophobicContact CE1-CG 4.33Å; Y108-F136 AromaticContact CE2-CD1 3.5Å; Y108-F136 HydrophobicContact CE2-CD1 3.5Å; Y108-F136 AromaticContact CE2-CE1 3.78Å; Y108-F136 HydrophobicContact CE2-CE1 3.78Å; Y108-F136 HydrophobicContact CE2-CG 4.16Å; Y108-F136 HydrophobicContact CG-CD1 4.04Å; Y108-F136 HydrophobicContact CG-CE1 4.21Å; Y108-F136 AromaticContact CZ-CD1 3.48Å; Y108-F136 VanDerWaalsContact CZ-CD1 3.48Å; Y108-F136 AromaticContact CZ-CG 3.89Å; I110-F136 HydrophobicContact CD1-CE2 4.25Å; I110-F136 HydrophobicContact CD1-CZ 4.09Å; L134-F136 HydrophobicContact CB-CD2 3.67Å; L134-F136 HydrophobicContact CB-CE2 3.6Å; L134-F136 HydrophobicContact CD1-CE2 3.78Å; L134-F136 HydrophobicContact CG-CE2 4.34Å; L134-F136 PolarHBondContact O-N 3.36Å; F136-F149 AromaticContact CE1-CD2 3.68Å; F136-F149 HydrophobicContact CE1-CD2 3.68Å; F136-F149 AromaticContact CE1-CE2 3.63Å; F136-F149 HydrophobicContact CE1-CE2 3.63Å; F136-F149 HydrophobicContact CE1-CG 4.29Å; F136-F149 HydrophobicContact CE1-CZ 4.21Å; F136-F149 HydrophobicContact CZ-CD2 4.14Å; F136-F149 HydrophobicContact CZ-CE2 4.37Å; F136-F149 HydrophobicContact CZ-CG 4.3Å; F136-F171 HydrophobicContact CE2-CZ 4.49Å; F136-F171 HydrophobicContact CZ-CZ 4.06Å
137E89.9Confident92.5Very high127 Ų12784 Ų8459%0.59341%0.411SS*.  trans-97.9-19.2173.9-60.9-178.1175.700112.7L102 S104 P135L102-E137 CarbonylContact O-C 3.59Å; L102-E137 WeakPolarHBondContact O-CA 3.47Å; L102-E137 WeakPolarHBondContact O-CB 3.23Å; L102-E137 PolarHBondContact O-N 2.98Å; S104-E137 WeakPolarHBondContact CA-O 3.41Å; P135-E137 PolarHBondContact O-N 3.48Å
138G89Confident92.7Very high11 Ų1181 Ų8111%0.11340%0.402CS..SBendtrans-63.9169.3-179.700000114.5L102 H103 S106 Y108L102-G138 PolarHBondContact O-N 3.44Å; H103-G138 VanDerWaalsContact O-CA 3.24Å; H103-G138 WeakPolarHBondContact O-CA 3.35Å; H103-G138 PolarHBondContact O-N 2.94Å; S106-G138 CarbonylContact O-C 3.54Å; S106-G138 WeakPolarHBondContact O-CA 3.35Å; Y108-G138 VanDerWaalsContact CE1-O 3.29Å; Y108-G138 WeakPolarHBondContact CE1-O 3.36Å
139K92.5Very high92.9Very high153 Ų15378.1 Ų78.167%0.66539%0.387SS*.EExtended strand (participates in β ladder)trans-94137.1179.8-63.8177-174.2171.40111.7S106 T107 Y108 N141S106-K139 PolarHBondContact O-N 3.47Å; T107-K139 CarbonylContact C-O 3.53Å; T107-K139 WeakPolarHBondContact CA-O 3.33Å; T107-K139 HydrophobicContact CG2-CB 4.4Å; Y108-K139 PolarHBondContact N-O 3.11Å; K139-N141 PolarHBondContact O-N 2.86Å
140V93.8Very high93.1Very high93 Ų9373.8 Ų73.856%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-69.6124.3176.6179.40000110.8Y108 L142Y108-V140 HydrophobicContact CE1-CG2 4.17Å; Y108-V140 HydrophobicContact CE2-CG2 4.3Å; Y108-V140 WeakPolarHBondContact O-CA 3.29Å; V140-L142 HydrophobicContact CG1-CD2 3.87Å; V140-L142 HydrophobicContact CG1-CG 4.3Å
141N94.5Very high93.4Very high55 Ų5572.4 Ų72.429%0.29435%0.352SS..  trans-133.1103.4173.5-175.9-18.3000110.8T107 Y108 K139 K143 K144 P145T107-N141 HydrophobicContact CG2-CB 4.24Å; Y108-N141 PolarHBondContact O-N 3.4Å; K139-N141 PolarHBondContact O-N 2.86Å; N141-K143 PolarHBondContact O-N 2.88Å; N141-K143 PolarHBondContact OD1-N 3.03Å; N141-K143 VanDerWaalsContact OD1-N 3.13Å; N141-K144 PolarHBondContact ND2-O 2.85Å; N141-K144 PolarHBondContact OD1-N 2.82Å; N141-P145 HydrophobicContact CB-CB 4.43Å; N141-P145 WeakPolarHBondContact O-CB 3.45Å; N141-P145 WeakPolarHBondContact O-CD 3.42Å
142L92.8Very high93.6Very high128 Ų12872.2 Ų72.267%0.6735%0.351SS*.SBendtrans-73.7-27.2-175.3-58.3-178.9000113.5K109 V140K109-L142 HydrophobicContact CB-CD2 4.3Å; K109-L142 PolarHBondContact NZ-O 2.81Å; V140-L142 HydrophobicContact CG1-CD2 3.87Å; V140-L142 HydrophobicContact CG1-CG 4.3Å
143K93.1Very high93.9Very high201 Ų20164.3 Ų64.387%0.87431%0.314SS*.SBendtrans-85.7-55.8-174.3-67.1-174-179.8-1800112N141N141-K143 PolarHBondContact O-N 2.88Å; N141-K143 PolarHBondContact OD1-N 3.03Å; N141-K143 VanDerWaalsContact OD1-N 3.13Å
144K93.8Very high94.1Very high177 Ų17761 Ų6177%0.7730%0.3SS*.SBendtrans-138.568.9-173.8-165.8-177.9178.8-177.80111.4N141N141-K144 PolarHBondContact ND2-O 2.85Å; N141-K144 PolarHBondContact OD1-N 2.82Å
145P95.6Very high94.3Very high24 Ų2460.5 Ų60.516%0.15630%0.297CS..  trans-74.7157.1176.432.9-35.6000111.6K109 N141 V148K109-P145 HydrophobicContact CB-CB 4.46Å; K109-P145 HydrophobicContact CB-CG 4.27Å; K109-P145 HydrophobicContact CD-CG 3.65Å; K109-P145 HydrophobicContact CG-CB 4.39Å; K109-P145 HydrophobicContact CG-CG 3.74Å; N141-P145 HydrophobicContact CB-CB 4.43Å; N141-P145 WeakPolarHBondContact O-CB 3.45Å; N141-P145 WeakPolarHBondContact O-CD 3.42Å; P145-V148 HydrophobicContact CG-CG2 3.81Å
146Q95.6Very high94.3Very high122 Ų12258.1 Ų58.157%0.5728%0.283SS*.SBendtrans-77-36.8167.9-72.7161.4-65.500111.7T107T107-Q146 PolarHBondContact O-N 2.89Å; T107-Q146 PolarHBondContact OG1-N 3.01Å; T107-Q146 PolarHBondContact OG1-OE1 2.95Å; T107-Q146 VanDerWaalsContact OG1-OE1 3.11Å
147H96.1Very high94.3Very high38 Ų3860.3 Ų60.318%0.17630%0.297CS..EExtended strand (participates in β ladder)trans-122.4135.1-179.1-55-52.1000111.4F101 T107 Y108 K109 F149F101-H147 AromaticContact CD1-CE1 3.67Å; F101-H147 AromaticContact CD1-ND1 3.83Å; F101-H147 PolarHBondContact O-CD2 2.67Å; F101-H147 VanDerWaalsContact O-CD2 3.3Å; T107-H147 PolarHBondContact O-N 3.28Å; Y108-H147 CarbonylContact C-O 3.57Å; Y108-H147 WeakPolarHBondContact CA-O 3.4Å; K109-H147 PolarHBondContact N-O 2.9Å; H147-F149 HydrophobicContact CB-CE2 3.74Å; H147-F149 HydrophobicContact CB-CZ 3.98Å
148V97.4Very high94.3Very high17 Ų1757.4 Ų57.410%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-116.1123.4174.8-178.20000107.3K109 K111 P145 W174K109-V148 HydrophobicContact CG-CG1 4.18Å; K109-V148 HydrophobicContact CG-CG2 4.18Å; K111-V148 HydrophobicContact CD-CG1 3.91Å; K111-V148 HydrophobicContact CG-CG1 4.17Å; P145-V148 HydrophobicContact CG-CG2 3.81Å; V148-W174 HydrophobicContact CB-CB 3.98Å; V148-W174 HydrophobicContact CG1-CB 4.22Å; V148-W174 WeakPolarHBondContact O-CB 3.21Å; V148-W174 PolarHBondContact O-N 2.84Å
149F97.4Very high94.1Very high0 Ų060.7 Ų60.70%030%0.304CS..EExtended strand (participates in β ladder)trans-106.8153.6171.8-58.7-80.7000109.1W77 F101 L102 Y108 K109 I110 K111 F136 H147 F171 G172 R173W77-F149 HydrophobicContact CE3-CE1 4.48Å; W77-F149 HydrophobicContact CH2-CD1 4.01Å; W77-F149 AromaticContact CH2-CE1 3.18Å; W77-F149 HydrophobicContact CH2-CE1 3.18Å; W77-F149 AromaticContact CH2-CZ 3.84Å; W77-F149 HydrophobicContact CH2-CZ 3.84Å; W77-F149 HydrophobicContact CZ2-CD1 4.48Å; W77-F149 AromaticContact CZ2-CE1 3.66Å; W77-F149 HydrophobicContact CZ2-CE1 3.66Å; W77-F149 HydrophobicContact CZ3-CD1 4.02Å; W77-F149 AromaticContact CZ3-CE1 3.62Å; W77-F149 HydrophobicContact CZ3-CE1 3.62Å; W77-F149 HydrophobicContact CZ3-CZ 4.41Å; F101-F149 HydrophobicContact CB-CE1 4.49Å; F101-F149 HydrophobicContact CB-CZ 3.93Å; L102-F149 HydrophobicContact CD2-CE1 4.39Å; L102-F149 HydrophobicContact CD2-CE2 4.1Å; L102-F149 HydrophobicContact CD2-CZ 3.72Å; Y108-F149 HydrophobicContact CD2-CD2 4.15Å; Y108-F149 HydrophobicContact CD2-CE2 4.43Å; Y108-F149 HydrophobicContact CG-CD2 4.46Å; Y108-F149 HydrophobicContact CG-CE2 4.33Å; K109-F149 PolarHBondContact O-N 2.81Å; I110-F149 CarbonylContact C-O 3.58Å; I110-F149 WeakPolarHBondContact CA-O 3.05Å; I110-F149 HydrophobicContact CG1-CB 4.25Å; K111-F149 PolarHBondContact N-O 3.05Å; F136-F149 AromaticContact CE1-CD2 3.68Å; F136-F149 HydrophobicContact CE1-CD2 3.68Å; F136-F149 AromaticContact CE1-CE2 3.63Å; F136-F149 HydrophobicContact CE1-CE2 3.63Å; F136-F149 HydrophobicContact CE1-CG 4.29Å; F136-F149 HydrophobicContact CE1-CZ 4.21Å; F136-F149 HydrophobicContact CZ-CD2 4.14Å; F136-F149 HydrophobicContact CZ-CE2 4.37Å; F136-F149 HydrophobicContact CZ-CG 4.3Å; H147-F149 HydrophobicContact CB-CE2 3.74Å; H147-F149 HydrophobicContact CB-CZ 3.98Å; F149-F171 HydrophobicContact CB-CE2 4.1Å; F149-F171 HydrophobicContact CB-CZ 3.81Å; F149-F171 HydrophobicContact CD1-CE1 4.44Å; F149-F171 HydrophobicContact CD1-CZ 4.29Å; F149-F171 HydrophobicContact CG-CZ 4.24Å; F149-G172 WeakPolarHBondContact CA-O 3.4Å; F149-R173 HydrophobicContact CD1-CB 3.91Å; F149-R173 HydrophobicContact CD1-CG 4.25Å; F149-R173 HydrophobicContact CE1-CB 3.75Å; F149-R173 HydrophobicContact CE1-CG 3.83Å; F149-R173 HydrophobicContact CZ-CG 4.49Å
150S97.7Very high94Very high1 Ų160.3 Ų60.31%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-136.1133-179.7-70.20000111.3F74 K111 F171 G172F74-S150 VanDerWaalsContact CE1-OG 3.29Å; F74-S150 WeakPolarHBondContact CE1-OG 3.28Å; K111-S150 CarbonylContact O-C 3.53Å; K111-S150 VanDerWaalsContact O-CA 3.26Å; K111-S150 WeakPolarHBondContact O-CA 3.48Å; S150-F171 WeakPolarHBondContact O-CA 3.34Å; S150-F171 WeakPolarHBondContact O-CD2 3.34Å; S150-G172 PolarHBondContact N-O 2.93Å; S150-G172 PolarHBondContact O-N 3.3Å
151V97.8Very high93.8Very high5 Ų565.6 Ų65.63%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-88.2125.1155.7-178.30000106.8I110 K111 I112 H113 L131 E153 I169 Y170 F171I110-V151 HydrophobicContact CG2-CG2 4.4Å; K111-V151 PolarHBondContact O-N 2.69Å; I112-V151 WeakPolarHBondContact CA-O 3.39Å; I112-V151 HydrophobicContact CG1-CB 4.25Å; H113-V151 PolarHBondContact N-O 3.36Å; L131-V151 HydrophobicContact CD1-CG2 3.7Å; V151-E153 HydrophobicContact CG1-CG 4.24Å; V151-I169 HydrophobicContact CG1-CG2 3.9Å; V151-Y170 CarbonylContact C-O 3.54Å; V151-Y170 WeakPolarHBondContact CA-O 3.33Å; V151-F171 HydrophobicContact CG2-CD2 3.81Å; V151-F171 HydrophobicContact CG2-CE2 4.22Å
152L97.5Very high93.7Very high1 Ų166.7 Ų66.71%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-118.2125.6176.5-52.996.2000110.2L11 F49 F74 H113 I169 Y170L11-L152 HydrophobicContact CD2-CD1 3.92Å; L11-L152 HydrophobicContact CD2-CD2 4.29Å; L11-L152 HydrophobicContact CD2-CG 4.47Å; F49-L152 HydrophobicContact CD1-CB 4.41Å; F49-L152 HydrophobicContact CD1-CD2 4.38Å; F49-L152 HydrophobicContact CE1-CB 3.69Å; F49-L152 HydrophobicContact CE1-CD2 3.73Å; F49-L152 HydrophobicContact CE1-CG 4.36Å; F49-L152 HydrophobicContact CZ-CB 4.26Å; F74-L152 HydrophobicContact CD1-CD1 4.49Å; F74-L152 HydrophobicContact CD2-CD1 4.35Å; F74-L152 HydrophobicContact CD2-CD2 4.08Å; F74-L152 HydrophobicContact CE2-CD1 4.5Å; F74-L152 HydrophobicContact CE2-CD2 3.59Å; F74-L152 HydrophobicContact CG-CD1 4.37Å; F74-L152 HydrophobicContact CZ-CD2 3.93Å; H113-L152 HydrophobicContact CB-CD2 4.19Å; H113-L152 HydrophobicContact CB-CG 4.16Å; H113-L152 CarbonylContact O-C 3.49Å; H113-L152 VanDerWaalsContact O-CA 3.23Å; H113-L152 WeakPolarHBondContact O-CA 3.41Å; L152-I169 CarbonylContact O-C 3.59Å; L152-I169 WeakPolarHBondContact O-CA 3.45Å; L152-Y170 HydrophobicContact CB-CD2 4.24Å; L152-Y170 PolarHBondContact N-O 3.15Å; L152-Y170 WeakPolarHBondContact O-CD2 3.27Å; L152-Y170 PolarHBondContact O-N 2.87Å
153E96.5Very high93.6Very high6 Ų662.4 Ų62.43%0.02830%0.304CS..EExtended strand (participates in β ladder)trans-118.7127.3-176.6-67175.8171.400110.8H113 T114 F115 V151 Y155 P166 I169H113-E153 PolarHBondContact O-N 3.33Å; T114-E153 HydrophobicContact CG2-CB 4.1Å; T114-E153 WeakPolarHBondContact CG2-OE2 3.32Å; F115-E153 PolarHBondContact N-O 2.94Å; V151-E153 HydrophobicContact CG1-CG 4.24Å; E153-Y155 HydrophobicContact CB-CD2 4.23Å; E153-Y155 HydrophobicContact CB-CE2 3.66Å; E153-Y155 WeakPolarHBondContact OE2-CE2 3.21Å; E153-Y155 PolarHBondContact OE2-OH 3.13Å; E153-P166 HydrophobicContact CB-CB 3.96Å; E153-P166 HydrophobicContact CB-CG 4.35Å; E153-P166 HydrophobicContact CG-CB 4.41Å; E153-P166 HydrophobicContact CG-CG 4.26Å; E153-I169 HydrophobicContact CG-CG2 4.07Å
154D94.9Very high93.5Very high11 Ų1160.5 Ų60.56%0.05930%0.298CS..EExtended strand (participates in β ladder)trans-102.4105.9177.1-170.80.4000111F49 G156 P166 H167 N168F49-D154 HydrophobicContact CD2-CB 3.56Å; F49-D154 HydrophobicContact CE2-CB 3.5Å; D154-G156 VanDerWaalsContact C-N 3.26Å; D154-G156 PolarHBondContact O-N 2.98Å; D154-G156 WeakPolarHBondContact OD1-CA 3.31Å; D154-G156 PolarHBondContact OD1-N 3.25Å; D154-P166 CarbonylContact O-C 3.56Å; D154-P166 WeakPolarHBondContact O-CA 3.46Å; D154-H167 PolarHBondContact O-N 2.96Å; D154-N168 HydrophobicContact CB-CB 4.25Å; D154-N168 PolarHBondContact N-O 2.83Å
155Y94.3Very high93.4Very high3 Ų357.5 Ų57.51%0.01229%0.291CS..  trans-89.616.8174.4-68.1-92.4000113.2T114 F115 K117 E153 I162 P163 P166T114-Y155 HydrophobicContact CG2-CE2 4.15Å; F115-Y155 WeakPolarHBondContact O-CB 3.49Å; F115-Y155 WeakPolarHBondContact O-CD2 3.28Å; F115-Y155 PolarHBondContact O-N 2.92Å; K117-Y155 HydrophobicContact CB-CD1 4.28Å; K117-Y155 HydrophobicContact CB-CD2 3.5Å; K117-Y155 HydrophobicContact CB-CE2 3.76Å; K117-Y155 HydrophobicContact CB-CG 3.78Å; K117-Y155 HydrophobicContact CD-CD1 3.64Å; K117-Y155 HydrophobicContact CD-CD2 4.06Å; K117-Y155 HydrophobicContact CD-CE1 3.3Å; K117-Y155 HydrophobicContact CD-CE2 3.72Å; K117-Y155 HydrophobicContact CD-CG 4.02Å; K117-Y155 HydrophobicContact CG-CD2 4.43Å; K117-Y155 HydrophobicContact CG-CE2 4.33Å; E153-Y155 HydrophobicContact CB-CD2 4.23Å; E153-Y155 HydrophobicContact CB-CE2 3.66Å; E153-Y155 WeakPolarHBondContact OE2-CE2 3.21Å; E153-Y155 PolarHBondContact OE2-OH 3.13Å; Y155-I162 HydrophobicContact CD1-CG2 4.26Å; Y155-I162 HydrophobicContact CG-CG2 4.37Å; Y155-P163 HydrophobicContact CD1-CG 4.15Å; Y155-P163 WeakPolarHBondContact CD1-O 3.39Å; Y155-P163 WeakPolarHBondContact O-CD 3.35Å; Y155-P163 WeakPolarHBondContact O-CG 3.33Å; Y155-P166 HydrophobicContact CD1-CB 4.25Å; Y155-P166 HydrophobicContact CD2-CB 4.27Å; Y155-P166 HydrophobicContact CE1-CB 3.98Å; Y155-P166 HydrophobicContact CE1-CG 4.39Å; Y155-P166 VanDerWaalsContact CE1-N 3.31Å; Y155-P166 HydrophobicContact CE2-CB 4.03Å; Y155-P166 HydrophobicContact CG-CB 4.39Å
156G91.3Very high93.3Very high9 Ų957 Ų579%0.09329%0.287CS..  trans82177.6179.100000113.4F115 N116 D154F115-G156 WeakPolarHBondContact CD1-O 3.27Å; F115-G156 VanDerWaalsContact CE1-O 3.31Å; F115-G156 WeakPolarHBondContact CE1-O 3.48Å; N116-G156 WeakPolarHBondContact CB-O 3.38Å; N116-G156 PolarHBondContact ND2-O 3.12Å; D154-G156 VanDerWaalsContact C-N 3.26Å; D154-G156 PolarHBondContact O-N 2.98Å; D154-G156 WeakPolarHBondContact OD1-CA 3.31Å; D154-G156 PolarHBondContact OD1-N 3.25Å
157L88.7Confident93.2Very high85 Ų8555.9 Ų55.945%0.44528%0.282SS..SBendtrans-91.3-15.2-168.6-62.9176.6000114.8K46 F115 N116 P159K46-L157 HydrophobicContact CB-CD1 3.9Å; F115-L157 HydrophobicContact CE1-CD2 3.86Å; F115-L157 HydrophobicContact CZ-CD2 4.25Å; N116-L157 VanDerWaalsContact ND2-C 3.33Å; N116-L157 PolarHBondContact ND2-O 3.4Å; L157-P159 VanDerWaalsContact O-CD 3.22Å; L157-P159 WeakPolarHBondContact O-CD 3.46Å
158D89.4Confident93.1Very high66 Ų6656 Ų5635%0.35328%0.284SS..  trans-89105.4-177.6-173.7-4.7000111N160 R161D158-N160 PolarHBondContact O-N 2.99Å; D158-N160 WeakPolarHBondContact OD1-CB 3.34Å; D158-N160 PolarHBondContact OD1-N 2.82Å; D158-R161 HydrophobicContact CB-CB 4.36Å; D158-R161 CarbonylContact O-C 3.57Å; D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 WeakPolarHBondContact OD2-CB 3.42Å; D158-R161 WeakPolarHBondContact OD2-CD 3.49Å; D158-R161 WeakPolarHBondContact OD2-CG 3.44Å
159P86.4Confident93.1Very high79 Ų7955.6 Ų55.651%0.51328%0.281SS..THydrogen-bonded Turntrans-69.5-15.4-179.931.7-36.7000112.9L157 I162L157-P159 VanDerWaalsContact O-CD 3.22Å; L157-P159 WeakPolarHBondContact O-CD 3.46Å; P159-I162 WeakPolarHBondContact O-CD1 3.46Å
160N90Very high93.1Very high146 Ų14656.2 Ų56.278%0.78128%0.283SS*.THydrogen-bonded Turntrans-91-12.4179.8-59.5-49.4000112.7D158D158-N160 PolarHBondContact O-N 2.99Å; D158-N160 WeakPolarHBondContact OD1-CB 3.34Å; D158-N160 PolarHBondContact OD1-N 2.82Å
161R89.8Confident93.1Very high204 Ų20456.1 Ų56.177%0.7728%0.283SS*.SBendtrans-134.264.9-179-64.3-176.1179-175.91110.2D158 P163D158-R161 HydrophobicContact CB-CB 4.36Å; D158-R161 CarbonylContact O-C 3.57Å; D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 WeakPolarHBondContact OD2-CB 3.42Å; D158-R161 WeakPolarHBondContact OD2-CD 3.49Å; D158-R161 WeakPolarHBondContact OD2-CG 3.44Å; R161-P163 WeakPolarHBondContact O-CD 3.39Å
162I91Very high93.1Very high78 Ų7856 Ų5640%0.428%0.282SS..  trans-76.4119.2179.7-57.2162000108.3N116 K117 Y155 P159N116-I162 WeakPolarHBondContact O-CD1 3.48Å; N116-I162 VanDerWaalsContact O-CG1 3.29Å; N116-I162 WeakPolarHBondContact O-CG1 3.46Å; N116-I162 WeakPolarHBondContact O-CG2 3.3Å; K117-I162 HydrophobicContact CB-CG2 4.14Å; K117-I162 HydrophobicContact CD-CG2 4.23Å; K117-I162 HydrophobicContact CG-CG2 4.21Å; Y155-I162 HydrophobicContact CD1-CG2 4.26Å; Y155-I162 HydrophobicContact CG-CG2 4.37Å; P159-I162 WeakPolarHBondContact O-CD1 3.46Å
163P92.4Very high93Very high37 Ų3756.4 Ų56.424%0.2428%0.284CS..  trans-67.8158.2177.728.9-34000111.5Y155 R161 N165Y155-P163 HydrophobicContact CD1-CG 4.15Å; Y155-P163 WeakPolarHBondContact CD1-O 3.39Å; Y155-P163 WeakPolarHBondContact O-CD 3.35Å; Y155-P163 WeakPolarHBondContact O-CG 3.33Å; R161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-N165 WeakPolarHBondContact CB-O 3.33Å; P163-N165 WeakPolarHBondContact CG-O 3.39Å
164E90Very high93.1Very high162 Ų16260.1 Ų60.176%0.75730%0.298SS*.SBendtrans-63.7-44.4176-172.7175.4-177.100111.2K117K117-E164 PolarHBondContact NZ-O 3.07Å
165N91.6Very high93.2Very high113 Ų11359.6 Ų59.660%0.60430%0.295SS*.SBendtrans-107.5147.4178.6-64.5-52000111.2P163P163-N165 WeakPolarHBondContact CB-O 3.33Å; P163-N165 WeakPolarHBondContact CG-O 3.39Å
166P93.8Very high93.4Very high14 Ų1460.1 Ų60.19%0.09130%0.3CS..  trans-67.7147.1176.530.2-34.4000110.6E153 D154 Y155 N168 I169E153-P166 HydrophobicContact CB-CB 3.96Å; E153-P166 HydrophobicContact CB-CG 4.35Å; E153-P166 HydrophobicContact CG-CB 4.41Å; E153-P166 HydrophobicContact CG-CG 4.26Å; D154-P166 CarbonylContact O-C 3.56Å; D154-P166 WeakPolarHBondContact O-CA 3.46Å; Y155-P166 HydrophobicContact CD1-CB 4.25Å; Y155-P166 HydrophobicContact CD2-CB 4.27Å; Y155-P166 HydrophobicContact CE1-CB 3.98Å; Y155-P166 HydrophobicContact CE1-CG 4.39Å; Y155-P166 VanDerWaalsContact CE1-N 3.31Å; Y155-P166 HydrophobicContact CE2-CB 4.03Å; Y155-P166 HydrophobicContact CG-CB 4.39Å; P166-N168 VanDerWaalsContact C-N 3.33Å; P166-I169 HydrophobicContact CB-CG1 4.25Å; P166-I169 HydrophobicContact CG-CD1 3.74Å; P166-I169 HydrophobicContact CG-CG1 3.49Å; P166-I169 VanDerWaalsContact CG-CG1 3.49Å
167H93.2Very high93.7Very high98 Ų9863.6 Ų63.645%0.45432%0.316SS..SBendtrans-70.5-32.5173.1-61.3144.7000112.2Q81 D154Q81-H167 WeakPolarHBondContact CA-O 3.47Å; D154-H167 PolarHBondContact O-N 2.96Å
168N94.6Very high94.2Very high40 Ų4059.8 Ų59.821%0.21430%0.297CS..EExtended strand (participates in β ladder)trans-142.8143.1176.9-62-84.6000110.3G80 D154 P166 Y170G80-N168 WeakPolarHBondContact O-CA 3.46Å; D154-N168 HydrophobicContact CB-CB 4.25Å; D154-N168 PolarHBondContact N-O 2.83Å; P166-N168 VanDerWaalsContact C-N 3.33Å; N168-Y170 HydrophobicContact CB-CE1 4.29Å; N168-Y170 HydrophobicContact CB-CE2 3.67Å; N168-Y170 VanDerWaalsContact CB-CZ 3.48Å; N168-Y170 WeakPolarHBondContact CB-OH 3.37Å
169I96.8Very high94.6Very high9 Ų958.7 Ų58.75%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-125.2133.2174-43175.7000107.9H79 G80 P83 L86 V151 L152 E153 P166H79-I169 CarbonylContact C-O 3.47Å; H79-I169 VanDerWaalsContact CA-O 3.29Å; H79-I169 WeakPolarHBondContact CA-O 3.44Å; G80-I169 PolarHBondContact N-O 2.86Å; G80-I169 PolarHBondContact O-N 3.48Å; P83-I169 HydrophobicContact CG-CD1 4.03Å; L86-I169 HydrophobicContact CD2-CB 4.13Å; L86-I169 HydrophobicContact CD2-CG2 3.57Å; V151-I169 HydrophobicContact CG1-CG2 3.9Å; L152-I169 CarbonylContact O-C 3.59Å; L152-I169 WeakPolarHBondContact O-CA 3.45Å; E153-I169 HydrophobicContact CG-CG2 4.07Å; P166-I169 HydrophobicContact CB-CG1 4.25Å; P166-I169 HydrophobicContact CG-CD1 3.74Å; P166-I169 HydrophobicContact CG-CG1 3.49Å; P166-I169 VanDerWaalsContact CG-CG1 3.49Å
170Y97.6Very high94.9Very high13 Ų1357.7 Ų57.75%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-124.3145.2179.1-48.3-83.5000109.9L11 F49 I51 L76 H79 V151 L152 N168L11-Y170 HydrophobicContact CD1-CD1 4.16Å; L11-Y170 HydrophobicContact CD1-CE1 4.29Å; L11-Y170 HydrophobicContact CD1-CG 4.33Å; L11-Y170 HydrophobicContact CD2-CD1 4.18Å; L11-Y170 HydrophobicContact CD2-CD2 4.01Å; L11-Y170 HydrophobicContact CD2-CG 3.65Å; F49-Y170 HydrophobicContact CB-CE2 3.76Å; F49-Y170 HydrophobicContact CD1-CD2 4.19Å; F49-Y170 HydrophobicContact CD1-CE2 4.12Å; F49-Y170 HydrophobicContact CD2-CE2 4.1Å; F49-Y170 HydrophobicContact CG-CD2 4.27Å; F49-Y170 AromaticContact CG-CE2 3.73Å; F49-Y170 HydrophobicContact CG-CE2 3.73Å; I51-Y170 HydrophobicContact CD1-CD1 4.49Å; I51-Y170 HydrophobicContact CD1-CE1 4Å; I51-Y170 HydrophobicContact CG1-CE1 4.48Å; L76-Y170 HydrophobicContact CD1-CD1 4.21Å; H79-Y170 HydrophobicContact CB-CD1 3.63Å; H79-Y170 HydrophobicContact CB-CE1 4.04Å; V151-Y170 CarbonylContact C-O 3.54Å; V151-Y170 WeakPolarHBondContact CA-O 3.33Å; L152-Y170 HydrophobicContact CB-CD2 4.24Å; L152-Y170 PolarHBondContact N-O 3.15Å; L152-Y170 WeakPolarHBondContact O-CD2 3.27Å; L152-Y170 PolarHBondContact O-N 2.87Å; N168-Y170 HydrophobicContact CB-CE1 4.29Å; N168-Y170 HydrophobicContact CB-CE2 3.67Å; N168-Y170 VanDerWaalsContact CB-CZ 3.48Å; N168-Y170 WeakPolarHBondContact CB-OH 3.37Å
171F97.7Very high95.2Very high0 Ų055.3 Ų55.30%026%0.26CS..EExtended strand (participates in β ladder)trans-129.5134.7169.2-174.8-97.7000110.6W77 G78 L86 L90 I110 L131 L134 F136 F149 S150 V151W77-F171 HydrophobicContact CB-CD1 4.33Å; W77-F171 HydrophobicContact CE3-CD1 4.03Å; W77-F171 AromaticContact CE3-CE1 3.6Å; W77-F171 HydrophobicContact CE3-CE1 3.6Å; W77-F171 HydrophobicContact CZ3-CE1 4.03Å; W77-F171 PolarHBondContact N-O 3.24Å; G78-F171 PolarHBondContact N-O 2.77Å; G78-F171 VanDerWaalsContact N-O 3.11Å; G78-F171 PolarHBondContact O-N 3.44Å; L86-F171 HydrophobicContact CD1-CB 3.99Å; L90-F171 HydrophobicContact CD1-CB 4.13Å; L90-F171 HydrophobicContact CD1-CD1 4.28Å; L90-F171 HydrophobicContact CD1-CG 4.3Å; L90-F171 HydrophobicContact CD2-CB 4.04Å; L90-F171 HydrophobicContact CD2-CD1 3.54Å; L90-F171 HydrophobicContact CD2-CE1 4.44Å; L90-F171 HydrophobicContact CD2-CG 4.15Å; I110-F171 HydrophobicContact CG2-CE2 4.41Å; L131-F171 HydrophobicContact CD1-CD2 3.83Å; L131-F171 HydrophobicContact CD1-CE2 3.43Å; L131-F171 VanDerWaalsContact CD1-CE2 3.43Å; L131-F171 HydrophobicContact CD1-CZ 4.18Å; L131-F171 HydrophobicContact CD2-CD2 4.41Å; L134-F171 HydrophobicContact CD1-CD1 4.35Å; L134-F171 HydrophobicContact CD1-CE1 3.77Å; L134-F171 HydrophobicContact CD1-CZ 4.11Å; F136-F171 HydrophobicContact CE2-CZ 4.49Å; F136-F171 HydrophobicContact CZ-CZ 4.06Å; F149-F171 HydrophobicContact CB-CE2 4.1Å; F149-F171 HydrophobicContact CB-CZ 3.81Å; F149-F171 HydrophobicContact CD1-CE1 4.44Å; F149-F171 HydrophobicContact CD1-CZ 4.29Å; F149-F171 HydrophobicContact CG-CZ 4.24Å; S150-F171 WeakPolarHBondContact O-CA 3.34Å; S150-F171 WeakPolarHBondContact O-CD2 3.34Å; V151-F171 HydrophobicContact CG2-CD2 3.81Å; V151-F171 HydrophobicContact CG2-CE2 4.22Å
172G96.9Very high95.5Very high1 Ų146.1 Ų46.11%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-168.3168.2-178.600000114.6E75 F149 S150E75-G172 CarbonylContact O-C 3.55Å; E75-G172 WeakPolarHBondContact O-CA 3.3Å; F149-G172 WeakPolarHBondContact CA-O 3.4Å; S150-G172 PolarHBondContact N-O 2.93Å; S150-G172 PolarHBondContact O-N 3.3Å
173R96.9Very high95.7Very high10 Ų1044.3 Ų44.34%0.03822%0.217CC..EExtended strand (participates in β ladder)trans-89.5125.5176.5-176.61775993.7-3.5109.8E57 F74 E75 W77 F101 F149 I175E57-R173 IonicContact OE1-NH1 2.74Å; E57-R173 IonicContact OE2-CZ 2.8Å; E57-R173 IonicContact OE2-NH1 3.71Å; E57-R173 PolarHBondContact OE2-NH1 2.69Å; E57-R173 IonicContact OE2-NH2 3.2Å; E57-R173 PolarHBondContact OE2-NH2 3.37Å; F74-R173 CarbonylContact C-O 3.59Å; F74-R173 WeakPolarHBondContact CA-O 3.09Å; E75-R173 HydrophobicContact CB-CB 4.41Å; E75-R173 PolarHBondContact N-O 3.09Å; E75-R173 PolarHBondContact O-N 3.34Å; E75-R173 IonicContact OE1-NH2 2.72Å; E75-R173 IonicContact OE2-CZ 2.73Å; E75-R173 VanDerWaalsContact OE2-CZ 3.25Å; E75-R173 IonicContact OE2-NE 3.93Å; E75-R173 PolarHBondContact OE2-NE 2.96Å; E75-R173 IonicContact OE2-NH2 3.5Å; E75-R173 PolarHBondContact OE2-NH2 3.43Å; W77-R173 HydrophobicContact CZ2-CB 4.15Å; F101-R173 VanDerWaalsContact CG-CD 3.48Å; F149-R173 HydrophobicContact CD1-CB 3.91Å; F149-R173 HydrophobicContact CD1-CG 4.25Å; F149-R173 HydrophobicContact CE1-CB 3.75Å; F149-R173 HydrophobicContact CE1-CG 3.83Å; F149-R173 HydrophobicContact CZ-CG 4.49Å; R173-I175 VanDerWaalsContact CZ-CD1 3.45Å; R173-I175 VanDerWaalsContact NH1-CD1 3.31Å
174W98.1Very high95.8Very high84 Ų8448.8 Ų48.832%0.31824%0.235SC..EExtended strand (participates in β ladder)trans-64.5134.5174.7175.587.9000110.8F74 V148 D177F74-W174 HydrophobicContact CD1-CB 3.86Å; F74-W174 HydrophobicContact CE1-CB 3.81Å; F74-W174 AromaticContact CE1-CD1 3.72Å; F74-W174 HydrophobicContact CE1-CG 4.18Å; V148-W174 HydrophobicContact CB-CB 3.98Å; V148-W174 HydrophobicContact CG1-CB 4.22Å; V148-W174 WeakPolarHBondContact O-CB 3.21Å; V148-W174 PolarHBondContact O-N 2.84Å; W174-D177 HydrophobicContact CZ2-CB 4.45Å; W174-D177 WeakPolarHBondContact CZ2-OD2 3.36Å; W174-D177 PolarHBondContact NE1-OD1 3.13Å
175I97.7Very high96Very high0 Ų044 Ų440%022%0.219CC..EExtended strand (participates in β ladder)trans-107.7-54.5-179.8-56.6-55000110.4Y10 E57 R61 I73 E75 R173Y10-I175 HydrophobicContact CD1-CG1 4.4Å; Y10-I175 HydrophobicContact CE1-CG1 4.24Å; E57-I175 HydrophobicContact CG-CD1 4.19Å; E57-I175 HydrophobicContact CG-CG2 3.79Å; R61-I175 HydrophobicContact CG-CG2 3.58Å; R61-I175 PolarHBondContact NH1-O 3.04Å; R61-I175 PolarHBondContact NH2-O 3.31Å; I73-I175 HydrophobicContact CG2-CB 3.76Å; I73-I175 HydrophobicContact CG2-CG1 4.46Å; I73-I175 HydrophobicContact CG2-CG2 4.14Å; I73-I175 PolarHBondContact O-N 3.22Å; E75-I175 HydrophobicContact CB-CD1 3.95Å; E75-I175 HydrophobicContact CB-CG1 4.24Å; R173-I175 VanDerWaalsContact CZ-CD1 3.45Å; R173-I175 VanDerWaalsContact NH1-CD1 3.31Å
176A97.9Very high96.2Very high14 Ų1439.6 Ų39.612%0.11619%0.194CC..EExtended strand (participates in β ladder)trans-161.8157.4-17600000112M64 S72 I73M64-A176 HydrophobicContact CB-CB 3.67Å; M64-A176 HydrophobicContact CG-CB 3.98Å; S72-A176 CarbonylContact C-O 3.43Å; S72-A176 WeakPolarHBondContact CA-O 3.33Å; I73-A176 PolarHBondContact N-O 3.39Å
177D98.1Very high96.2Very high83 Ų8340.1 Ų40.144%0.44420%0.198SC..EExtended strand (participates in β ladder)trans-96.5152.6169.4-66.2-36.9000111.1K71 S72 W174K71-D177 CarbonylContact O-C 3.52Å; K71-D177 WeakPolarHBondContact O-CA 3.4Å; S72-D177 WeakPolarHBondContact CB-OD1 3.32Å; S72-D177 PolarHBondContact OG-OD1 2.95Å; W174-D177 HydrophobicContact CZ2-CB 4.45Å; W174-D177 WeakPolarHBondContact CZ2-OD2 3.36Å; W174-D177 PolarHBondContact NE1-OD1 3.13Å
178G97.6Very high96.1Very high4 Ų437.2 Ų37.24%0.04119%0.187CC..  trans-79.4171175.300000112.2M64 K71 R180 E181M64-G178 WeakPolarHBondContact O-CA 3.14Å; K71-G178 PolarHBondContact O-N 3.24Å; G178-R180 VanDerWaalsContact C-N 3.28Å; G178-R180 PolarHBondContact O-N 3.29Å; G178-E181 VanDerWaalsContact O-OE2 3.11Å
179Q97.6Very high95.9Very high43 Ų4344.3 Ų44.320%0.20122%0.216CC..SBendtrans-90.539.5-171.9-63.1-61.3-81.200113.8K65 T67 V68 E181 L182K65-Q179 WeakPolarHBondContact O-CG 3.4Å; T67-Q179 PolarHBondContact O-N 3.22Å; V68-Q179 HydrophobicContact CG1-CB 4.35Å; Q179-E181 WeakPolarHBondContact CA-OE2 3.13Å; Q179-E181 PolarHBondContact NE2-OE1 3.43Å; Q179-E181 VanDerWaalsContact NE2-OE1 3.1Å; Q179-E181 PolarHBondContact O-N 2.83Å; Q179-E181 PolarHBondContact OE1-OE1 3.23Å; Q179-L182 HydrophobicContact CB-CD1 3.6Å; Q179-L182 HydrophobicContact CB-CG 3.94Å; Q179-L182 HydrophobicContact CG-CD1 4.28Å; Q179-L182 WeakPolarHBondContact O-CB 3.39Å; Q179-L182 WeakPolarHBondContact O-CG 3.47Å; Q179-L182 PolarHBondContact O-N 3.2Å; Q179-L182 VanDerWaalsContact O-N 3.13Å
180R94.4Very high95.6Very high59 Ų5948.8 Ų48.822%0.22324%0.235CC..THydrogen-bonded Turntrans-67-24.7-176.2-73.6-169.563.585.5-4113.4E17 V68 G178 L182 I183E17-R180 VanDerWaalsContact CD-NH2 3.27Å; E17-R180 IonicContact OE1-NH2 3.25Å; E17-R180 PolarHBondContact OE1-NH2 2.94Å; E17-R180 IonicContact OE2-CZ 2.8Å; E17-R180 IonicContact OE2-NH1 3.9Å; E17-R180 IonicContact OE2-NH2 3.39Å; E17-R180 PolarHBondContact OE2-NH2 3.39Å; V68-R180 WeakPolarHBondContact O-CG 3.47Å; V68-R180 PolarHBondContact O-NH1 3.29Å; G178-R180 VanDerWaalsContact C-N 3.28Å; G178-R180 PolarHBondContact O-N 3.29Å; R180-L182 PolarHBondContact O-N 2.93Å; R180-I183 WeakPolarHBondContact O-CB 3.39Å; R180-I183 WeakPolarHBondContact O-CG1 3.49Å; R180-I183 PolarHBondContact O-N 3.36Å; R180-I183 VanDerWaalsContact O-N 3.12Å
181E95.5Very high95.3Very high96 Ų9648.3 Ų48.345%0.44923%0.233SC..Hα-helixtrans-58.2-24.7172.566.2-82.5-166.100113.2G178 Q179 I183 E184 S185G178-E181 VanDerWaalsContact O-OE2 3.11Å; Q179-E181 WeakPolarHBondContact CA-OE2 3.13Å; Q179-E181 PolarHBondContact NE2-OE1 3.43Å; Q179-E181 VanDerWaalsContact NE2-OE1 3.1Å; Q179-E181 PolarHBondContact O-N 2.83Å; Q179-E181 PolarHBondContact OE1-OE1 3.23Å; E181-I183 VanDerWaalsContact C-N 3.27Å; E181-I183 PolarHBondContact O-N 3.24Å; E181-E184 PolarHBondContact O-N 3.24Å; E181-S185 WeakPolarHBondContact O-CB 3.22Å; E181-S185 PolarHBondContact O-N 3.09Å; E181-S185 PolarHBondContact O-OG 3.41Å
182L95.8Very high95Very high11 Ų1152 Ų526%0.05825%0.25CS..Hα-helixtrans-64.7-33176.3-61.9-179.2000111.8Q179 R180 E184 S185 Y186 F205 H235Q179-L182 HydrophobicContact CB-CD1 3.6Å; Q179-L182 HydrophobicContact CB-CG 3.94Å; Q179-L182 HydrophobicContact CG-CD1 4.28Å; Q179-L182 WeakPolarHBondContact O-CB 3.39Å; Q179-L182 WeakPolarHBondContact O-CG 3.47Å; Q179-L182 PolarHBondContact O-N 3.2Å; Q179-L182 VanDerWaalsContact O-N 3.13Å; R180-L182 PolarHBondContact O-N 2.93Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 2.91Å; L182-S185 PolarHBondContact O-N 3.44Å; L182-Y186 HydrophobicContact CB-CD2 4.3Å; L182-Y186 HydrophobicContact CD2-CD2 4.26Å; L182-Y186 HydrophobicContact CD2-CE2 3.87Å; L182-Y186 WeakPolarHBondContact O-CB 3.22Å; L182-Y186 WeakPolarHBondContact O-CD2 3.08Å; L182-Y186 PolarHBondContact O-N 3.16Å; L182-F205 HydrophobicContact CB-CD2 4.02Å; L182-F205 HydrophobicContact CB-CE2 3.61Å; L182-F205 HydrophobicContact CB-CZ 3.96Å; L182-F205 HydrophobicContact CD1-CD1 4.13Å; L182-F205 HydrophobicContact CD1-CE1 3.82Å; L182-F205 HydrophobicContact CD1-CE2 4.27Å; L182-F205 HydrophobicContact CD1-CG 4.49Å; L182-F205 HydrophobicContact CD1-CZ 3.91Å; L182-F205 HydrophobicContact CG-CZ 4.38Å; L182-H235 WeakPolarHBondContact CD1-NE2 3.38Å
183I94.9Very high94.7Very high40 Ų4052 Ų5221%0.20525%0.25CC..Hα-helixtrans-59.7-42.8178.8-55.7175.7000110.1V68 R180 E181 S187V68-I183 HydrophobicContact CB-CD1 4.48Å; R180-I183 WeakPolarHBondContact O-CB 3.39Å; R180-I183 WeakPolarHBondContact O-CG1 3.49Å; R180-I183 PolarHBondContact O-N 3.36Å; R180-I183 VanDerWaalsContact O-N 3.12Å; E181-I183 VanDerWaalsContact C-N 3.27Å; E181-I183 PolarHBondContact O-N 3.24Å; I183-S187 WeakPolarHBondContact O-CA 3.35Å; I183-S187 WeakPolarHBondContact O-CB 3.23Å; I183-S187 PolarHBondContact O-N 3.45Å
184E94.3Very high94.4Very high130 Ų13052.5 Ų52.561%0.60725%0.253SS*.Hα-helixtrans-76.5-40.4179.8-156.6-153.1134.900112.3E181 L182 S187 K190E181-E184 PolarHBondContact O-N 3.24Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 2.91Å; E184-S187 WeakPolarHBondContact O-CB 3.41Å; E184-S187 PolarHBondContact O-N 2.79Å; E184-S187 PolarHBondContact O-OG 3.3Å; E184-K190 PolarHBondContact O-NZ 2.75Å; E184-K190 IonicContact OE1-NZ 2.81Å; E184-K190 PolarHBondContact OE1-NZ 2.79Å
185S94.9Very high93.8Very high61 Ų6149.1 Ų49.143%0.42725%0.245SC..Hα-helixtrans-64.6-40-178.3-58.40000112E181 L182E181-S185 WeakPolarHBondContact O-CB 3.22Å; E181-S185 PolarHBondContact O-N 3.09Å; E181-S185 PolarHBondContact O-OG 3.41Å; L182-S185 PolarHBondContact O-N 3.44Å
186Y95.9Very high93Very high22 Ų2254.3 Ų54.39%0.08627%0.272CS..THydrogen-bonded Turntrans-99.410.3-178.8-70.5-94.8000113.6L182 V188 R191 A201 F205 I231 H235 Y277 L279L182-Y186 HydrophobicContact CB-CD2 4.3Å; L182-Y186 HydrophobicContact CD2-CD2 4.26Å; L182-Y186 HydrophobicContact CD2-CE2 3.87Å; L182-Y186 WeakPolarHBondContact O-CB 3.22Å; L182-Y186 WeakPolarHBondContact O-CD2 3.08Å; L182-Y186 PolarHBondContact O-N 3.16Å; Y186-V188 PolarHBondContact O-N 3.25Å; Y186-R191 PolarHBondContact O-NH2 3.42Å; Y186-R191 VanDerWaalsContact O-NH2 3.12Å; Y186-A201 WeakPolarHBondContact O-CB 3.4Å; Y186-F205 HydrophobicContact CD1-CZ 4.46Å; Y186-F205 AromaticContact CD2-CE2 3.88Å; Y186-F205 HydrophobicContact CD2-CE2 3.88Å; Y186-F205 AromaticContact CD2-CZ 3.81Å; Y186-F205 HydrophobicContact CD2-CZ 3.81Å; Y186-F205 HydrophobicContact CE2-CZ 4.07Å; Y186-F205 AromaticContact CG-CE2 3.96Å; Y186-F205 HydrophobicContact CG-CE2 3.96Å; Y186-F205 HydrophobicContact CG-CZ 4.04Å; Y186-I231 HydrophobicContact CD1-CG2 3.42Å; Y186-I231 VanDerWaalsContact CD1-CG2 3.42Å; Y186-I231 HydrophobicContact CE1-CG2 3.46Å; Y186-I231 VanDerWaalsContact CE1-CG2 3.46Å; Y186-H235 AromaticContact CE2-ND1 3.95Å; Y186-H235 AromaticContact CZ-ND1 3.69Å; Y186-H235 PolarHBondContact OH-ND1 3.19Å; Y186-Y277 AromaticContact CD1-CD1 3.78Å; Y186-Y277 HydrophobicContact CD1-CD1 3.78Å; Y186-Y277 AromaticContact CD1-CD2 3.78Å; Y186-Y277 HydrophobicContact CD1-CD2 3.78Å; Y186-Y277 AromaticContact CD1-CE1 3.75Å; Y186-Y277 HydrophobicContact CD1-CE1 3.75Å; Y186-Y277 AromaticContact CD1-CE2 3.78Å; Y186-Y277 HydrophobicContact CD1-CE2 3.78Å; Y186-Y277 AromaticContact CD1-CG 3.8Å; Y186-Y277 HydrophobicContact CD1-CG 3.8Å; Y186-Y277 AromaticContact CD1-CZ 3.76Å; Y186-Y277 AromaticContact CE1-CD1 3.5Å; Y186-Y277 HydrophobicContact CE1-CD1 3.5Å; Y186-Y277 AromaticContact CE1-CD2 3.59Å; Y186-Y277 HydrophobicContact CE1-CD2 3.59Å; Y186-Y277 AromaticContact CE1-CE1 3.99Å; Y186-Y277 HydrophobicContact CE1-CE1 3.99Å; Y186-Y277 HydrophobicContact CE1-CE2 4.1Å; Y186-Y277 AromaticContact CE1-CG 3.28Å; Y186-Y277 HydrophobicContact CE1-CG 3.28Å; Y186-Y277 HydrophobicContact CG-CE1 4.26Å; Y186-Y277 AromaticContact CZ-CD1 3.97Å; Y186-L279 HydrophobicContact CE1-CD1 4.25Å
187S94.4Very high92.2Very high24 Ų2456.7 Ų56.717%0.16829%0.286CS..  trans-53.1138.4-177.263.10000111.9I183 E184 K189 K190 R191I183-S187 WeakPolarHBondContact O-CA 3.35Å; I183-S187 WeakPolarHBondContact O-CB 3.23Å; I183-S187 PolarHBondContact O-N 3.45Å; E184-S187 WeakPolarHBondContact O-CB 3.41Å; E184-S187 PolarHBondContact O-N 2.79Å; E184-S187 PolarHBondContact O-OG 3.3Å; S187-K189 PolarHBondContact O-N 3Å; S187-K189 VanDerWaalsContact O-N 3.07Å; S187-K190 PolarHBondContact O-N 2.65Å; S187-K190 WeakPolarHBondContact OG-CG 3.37Å; S187-R191 PolarHBondContact O-N 2.7Å
188V91.4Very high91.6Very high37 Ų3753.7 Ų53.722%0.22427%0.271CS..G310 helixtrans-55.9-32.1-177.8-178.90000111.6Y186 K190 R191 I194 M199Y186-V188 PolarHBondContact O-N 3.25Å; V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 PolarHBondContact O-N 3.05Å; V188-R191 PolarHBondContact O-N 2.66Å; V188-I194 HydrophobicContact CG1-CB 4.39Å; V188-I194 HydrophobicContact CG1-CG2 3.82Å; V188-I194 WeakPolarHBondContact O-CG2 3.08Å; V188-M199 WeakPolarHBondContact CG2-O 3.34Å
189K89.8Confident91.2Very high190 Ų19054.2 Ų54.283%0.82627%0.273SS*.G310 helixtrans-60.6-32.5177.4-63.8180-178.7176.40113.3S187S187-K189 PolarHBondContact O-N 3Å; S187-K189 VanDerWaalsContact O-N 3.07Å
190K90.5Very high91Very high103 Ų10355.2 Ų55.245%0.44828%0.279SS..G310 helixtrans-94.1-10.9-178.2-62.5178.9-172.4170.80112.8E184 S187 V188 Q276E184-K190 PolarHBondContact O-NZ 2.75Å; E184-K190 IonicContact OE1-NZ 2.81Å; E184-K190 PolarHBondContact OE1-NZ 2.79Å; S187-K190 PolarHBondContact O-N 2.65Å; S187-K190 WeakPolarHBondContact OG-CG 3.37Å; V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 PolarHBondContact O-N 3.05Å; K190-Q276 PolarHBondContact O-NE2 3.45Å
191R91.6Very high91Very high3 Ų352.4 Ų52.41%0.01127%0.269CS..  trans-75.3135.6-172.9-173.4178.7-56.4156.85.6112.5Y186 S187 V188 F193 I194 R258 N273Y186-R191 PolarHBondContact O-NH2 3.42Å; Y186-R191 VanDerWaalsContact O-NH2 3.12Å; S187-R191 PolarHBondContact O-N 2.7Å; V188-R191 PolarHBondContact O-N 2.66Å; R191-F193 WeakPolarHBondContact CD-O 3.24Å; R191-I194 HydrophobicContact CB-CG2 3.83Å; R191-I194 HydrophobicContact CG-CG2 4.18Å; R191-R258 PolarHBondContact O-NH2 2.92Å; R191-N273 WeakPolarHBondContact CG-OD1 3.5Å
192H90.2Very high91.1Very high77 Ų7747.9 Ų47.936%0.35625%0.248SC..SBendtrans-60.4-58.6-175.1-169.561.5000112.4D267 N273 Q276H192-D267 PolarHBondContact CD2-O 2.96Å; H192-D267 PolarHBondContact NE2-O 2.84Å; H192-N273 PolarHBondContact N-OD1 3.3Å; H192-Q276 VanDerWaalsContact CB-OE1 3.26Å
193F91.1Very high91.1Very high0 Ų047.6 Ų47.60%025%0.247CC..SBendtrans-102.3119177.4175-122.3000111.3R191 T226 T249 E268 N269 I270 N273R191-F193 WeakPolarHBondContact CD-O 3.24Å; F193-T226 HydrophobicContact CD1-CG2 4.08Å; F193-T226 HydrophobicContact CE1-CG2 3.64Å; F193-T226 HydrophobicContact CE2-CG2 4.47Å; F193-T226 HydrophobicContact CZ-CG2 3.85Å; F193-T249 HydrophobicContact CZ-CG2 4.39Å; F193-T249 VanDerWaalsContact CZ-O 3.25Å; F193-T249 WeakPolarHBondContact CZ-O 3.28Å; F193-E268 HydrophobicContact CB-CG 4.07Å; F193-E268 HydrophobicContact CD2-CG 3.98Å; F193-E268 WeakPolarHBondContact CD2-O 3.43Å; F193-E268 WeakPolarHBondContact CE2-O 3.4Å; F193-N269 WeakPolarHBondContact CB-O 3.47Å; F193-I270 HydrophobicContact CD1-CG1 4.05Å; F193-I270 HydrophobicContact CE1-CG1 3.68Å; F193-N273 PolarHBondContact N-OD1 3.05Å; F193-N273 PolarHBondContact O-ND2 3.25Å; F193-N273 PolarHBondContact O-OD1 3.01Å
194I91.1Very high91.3Very high21 Ų2145.8 Ų45.811%0.10824%0.238CC..  trans-131157.4178.763.1168.7000111.5V188 R191 R258 R264V188-I194 HydrophobicContact CG1-CB 4.39Å; V188-I194 HydrophobicContact CG1-CG2 3.82Å; V188-I194 WeakPolarHBondContact O-CG2 3.08Å; R191-I194 HydrophobicContact CB-CG2 3.83Å; R191-I194 HydrophobicContact CG-CG2 4.18Å; I194-R258 HydrophobicContact CD1-CG 3.88Å; I194-R258 HydrophobicContact CG1-CG 4.34Å; I194-R264 VanDerWaalsContact O-CZ 3.32Å; I194-R264 PolarHBondContact O-NH1 2.88Å; I194-R264 PolarHBondContact O-NH2 3.39Å
195G86Confident91.5Very high14 Ų1439.7 Ų39.714%0.14421%0.209CC..  trans-130.6178.517200000110.9T197 S198 T226G195-T197 PolarHBondContact O-N 2.92Å; G195-S198 PolarHBondContact N-OG 2.85Å; G195-S198 PolarHBondContact O-N 2.88Å; G195-S198 PolarHBondContact O-OG 2.89Å; G195-T226 VanDerWaalsContact N-CG2 3.29Å
196N79.4Confident91.6Very high108 Ų10836.9 Ų36.958%0.57819%0.189SC*.THydrogen-bonded Turntrans-65.8-22.4-174.4-63.3-17.9000113.3T257N196-T257 WeakPolarHBondContact OD1-CG2 3.23Å; N196-T257 PolarHBondContact OD1-OG1 3.45Å; N196-T257 VanDerWaalsContact OD1-OG1 3.08Å
197T80.8Confident91.8Very high65 Ų6535.9 Ų35.940%0.39919%0.185SC..THydrogen-bonded Turntrans-123.519.1-173.948.80000112.2G195 M199 R314 E315G195-T197 PolarHBondContact O-N 2.92Å; T197-M199 PolarHBondContact O-N 3.43Å; T197-R314 HydrophobicContact CG2-CB 3.79Å; T197-E315 HydrophobicContact CG2-CG 3.84Å; T197-E315 PolarHBondContact OG1-OE1 2.94Å; T197-E315 VanDerWaalsContact OG1-OE1 3.11Å
198S86.2Confident92Very high20 Ų2034.7 Ų34.714%0.1418%0.177CC..PPolyproline II helixtrans-53.5126.4175.5-68.60000111.6G195 T226G195-S198 PolarHBondContact N-OG 2.85Å; G195-S198 PolarHBondContact O-N 2.88Å; G195-S198 PolarHBondContact O-OG 2.89Å; S198-T226 PolarHBondContact OG-OG1 3.28Å
199M89.8Confident92.3Very high14 Ų1433 Ų337%0.06917%0.167CC..PPolyproline II helixtrans-62142.1179.1-173.559.573.500112.1V188 T197 L203 S204 M207 L229 D308 W370V188-M199 WeakPolarHBondContact CG2-O 3.34Å; T197-M199 PolarHBondContact O-N 3.43Å; M199-L203 HydrophobicContact CG-CB 4.44Å; M199-L203 HydrophobicContact SD-CB 3.97Å; M199-L203 HydrophobicContact SD-CD1 4.06Å; M199-S204 VanDerWaalsContact CG-OG 3.24Å; M199-S204 WeakPolarHBondContact CG-OG 3.48Å; M199-M207 HydrophobicContact CE-SD 4.28Å; M199-L229 HydrophobicContact CB-CD2 4.27Å; M199-L229 HydrophobicContact CG-CD2 3.83Å; M199-D308 HydrophobicContact CE-CB 3.59Å; M199-D308 VanDerWaalsContact CE-CG 3.5Å; M199-D308 WeakPolarHBondContact CE-OD2 3.38Å; M199-W370 VanDerWaalsContact CE-NE1 3.35Å
200D93.3Very high92.7Very high64 Ų6423.9 Ų23.934%0.34213%0.127SC..PPolyproline II helixtrans-60144.1171.4173.1-103.8000111.7G202 L203 S204D200-G202 WeakPolarHBondContact OD1-CA 3.04Å; D200-G202 PolarHBondContact OD1-N 3.12Å; D200-L203 HydrophobicContact CB-CB 4.29Å; D200-L203 HydrophobicContact CB-CD1 4.11Å; D200-L203 HydrophobicContact CB-CG 4.21Å; D200-L203 PolarHBondContact OD1-N 2.8Å; D200-S204 WeakPolarHBondContact O-CB 3.44Å; D200-S204 PolarHBondContact O-N 2.91Å; D200-S204 PolarHBondContact O-OG 2.83Å
201A94.8Very high93.1Very high1 Ų119.2 Ų19.21%0.00811%0.108CC..Hα-helixtrans-65.1-46.2-176.500000112.3Y186 S204 F205Y186-A201 WeakPolarHBondContact O-CB 3.4Å; A201-S204 WeakPolarHBondContact O-CB 3.3Å; A201-S204 PolarHBondContact O-N 3.42Å; A201-F205 WeakPolarHBondContact O-CD2 3.34Å; A201-F205 PolarHBondContact O-N 2.75Å
202G96.6Very high93.4Very high1 Ų120.8 Ų20.81%0.0112%0.115CC..Hα-helixtrans-62.4-46-179.700000111.7D200 S204 F205 I206D200-G202 WeakPolarHBondContact OD1-CA 3.04Å; D200-G202 PolarHBondContact OD1-N 3.12Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.48Å; G202-F205 PolarHBondContact O-N 3.19Å; G202-I206 WeakPolarHBondContact O-CG1 3.27Å; G202-I206 PolarHBondContact O-N 2.87Å
203L96.9Very high93.8Very high5 Ų517.1 Ų17.13%0.02610%0.098CC..Hα-helixtrans-61.4-38.7174.3-65178.2000112.5M199 D200 F205 I206 M207 W370 R405M199-L203 HydrophobicContact CG-CB 4.44Å; M199-L203 HydrophobicContact SD-CB 3.97Å; M199-L203 HydrophobicContact SD-CD1 4.06Å; D200-L203 HydrophobicContact CB-CB 4.29Å; D200-L203 HydrophobicContact CB-CD1 4.11Å; D200-L203 HydrophobicContact CB-CG 4.21Å; D200-L203 PolarHBondContact OD1-N 2.8Å; L203-F205 PolarHBondContact O-N 2.59Å; L203-I206 HydrophobicContact CD2-CD1 4.4Å; L203-I206 PolarHBondContact O-N 3.46Å; L203-M207 VanDerWaalsContact O-CG 3.23Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 2.85Å; L203-W370 HydrophobicContact CD1-CZ2 4.24Å; L203-W370 HydrophobicContact CD2-CH2 4.42Å; L203-W370 HydrophobicContact CD2-CZ2 4.17Å; L203-R405 VanDerWaalsContact CD1-NH2 3.3Å
204S97.9Very high94Very high2 Ų222.4 Ų22.41%0.01412%0.121CC..Hα-helixtrans-61.6-42.9177.6-55.30000111.8M199 D200 A201 G202 M207 A208M199-S204 VanDerWaalsContact CG-OG 3.24Å; M199-S204 WeakPolarHBondContact CG-OG 3.48Å; D200-S204 WeakPolarHBondContact O-CB 3.44Å; D200-S204 PolarHBondContact O-N 2.91Å; D200-S204 PolarHBondContact O-OG 2.83Å; A201-S204 WeakPolarHBondContact O-CB 3.3Å; A201-S204 PolarHBondContact O-N 3.42Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 3.48Å; S204-M207 PolarHBondContact O-N 3.44Å; S204-A208 PolarHBondContact O-N 3.35Å
205F98.4Very high94.4Very high2 Ų227.6 Ų27.61%0.00915%0.145CC..Hα-helixtrans-67.6-39.8175.2-76.8-67.9000112.9V68 L182 Y186 A201 G202 L203 M207 A208 N209 A232 H235 F236V68-F205 HydrophobicContact CG1-CB 3.83Å; V68-F205 HydrophobicContact CG1-CG 4.33Å; V68-F205 HydrophobicContact CG2-CB 4.12Å; L182-F205 HydrophobicContact CB-CD2 4.02Å; L182-F205 HydrophobicContact CB-CE2 3.61Å; L182-F205 HydrophobicContact CB-CZ 3.96Å; L182-F205 HydrophobicContact CD1-CD1 4.13Å; L182-F205 HydrophobicContact CD1-CE1 3.82Å; L182-F205 HydrophobicContact CD1-CE2 4.27Å; L182-F205 HydrophobicContact CD1-CG 4.49Å; L182-F205 HydrophobicContact CD1-CZ 3.91Å; L182-F205 HydrophobicContact CG-CZ 4.38Å; Y186-F205 HydrophobicContact CD1-CZ 4.46Å; Y186-F205 AromaticContact CD2-CE2 3.88Å; Y186-F205 HydrophobicContact CD2-CE2 3.88Å; Y186-F205 AromaticContact CD2-CZ 3.81Å; Y186-F205 HydrophobicContact CD2-CZ 3.81Å; Y186-F205 HydrophobicContact CE2-CZ 4.07Å; Y186-F205 AromaticContact CG-CE2 3.96Å; Y186-F205 HydrophobicContact CG-CE2 3.96Å; Y186-F205 HydrophobicContact CG-CZ 4.04Å; A201-F205 WeakPolarHBondContact O-CD2 3.34Å; A201-F205 PolarHBondContact O-N 2.75Å; G202-F205 PolarHBondContact O-N 3.19Å; L203-F205 PolarHBondContact O-N 2.59Å; F205-M207 VanDerWaalsContact C-N 3.3Å; F205-M207 PolarHBondContact O-N 3.14Å; F205-A208 PolarHBondContact O-N 3.33Å; F205-N209 WeakPolarHBondContact O-CB 3.4Å; F205-N209 VanDerWaalsContact O-CG 3.31Å; F205-N209 PolarHBondContact O-N 3.01Å; F205-N209 PolarHBondContact O-ND2 2.76Å; F205-A232 HydrophobicContact CD1-CB 3.86Å; F205-A232 HydrophobicContact CE1-CB 3.98Å; F205-A232 HydrophobicContact CG-CB 4.16Å; F205-A232 HydrophobicContact CZ-CB 4.39Å; F205-H235 HydrophobicContact CE1-CB 3.77Å; F205-H235 AromaticContact CE1-CD2 3.56Å; F205-H235 AromaticContact CE1-CG 3.67Å; F205-H235 HydrophobicContact CZ-CB 4.21Å; F205-F236 AromaticContact CD1-CE2 3.8Å; F205-F236 HydrophobicContact CD1-CE2 3.8Å; F205-F236 AromaticContact CD1-CZ 3.81Å; F205-F236 HydrophobicContact CD1-CZ 3.81Å; F205-F236 HydrophobicContact CE1-CE2 4.44Å; F205-F236 HydrophobicContact CE1-CZ 4.37Å
206I98.3Very high94.9Very high2 Ų231.5 Ų31.51%0.0116%0.162CC..Hα-helixtrans-57.9-46.2172.9-70.3169.8000109.9H18 F21 V68 G202 L203 A208 N209 H210 L407H18-I206 HydrophobicContact CB-CD1 4.24Å; F21-I206 HydrophobicContact CB-CD1 4.19Å; F21-I206 HydrophobicContact CB-CG2 3.99Å; F21-I206 HydrophobicContact CD1-CG2 3.96Å; F21-I206 HydrophobicContact CG-CD1 4.46Å; F21-I206 HydrophobicContact CG-CG2 4.25Å; V68-I206 HydrophobicContact CG2-CD1 4.2Å; V68-I206 HydrophobicContact CG2-CG1 3.47Å; V68-I206 VanDerWaalsContact CG2-CG1 3.47Å; G202-I206 WeakPolarHBondContact O-CG1 3.27Å; G202-I206 PolarHBondContact O-N 2.87Å; L203-I206 HydrophobicContact CD2-CD1 4.4Å; L203-I206 PolarHBondContact O-N 3.46Å; I206-A208 PolarHBondContact O-N 2.75Å; I206-N209 PolarHBondContact O-N 3.41Å; I206-H210 PolarHBondContact O-CD2 3.32Å; I206-H210 PolarHBondContact O-N 2.97Å; I206-L407 HydrophobicContact CG2-CD2 4.2Å
207M98.6Very high95.8Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-62.2-43.5178.5-69.2176.774.500112.2M199 L203 S204 F205 N209 H210 G211 L229 I306 T307 V368 W370 L407M199-M207 HydrophobicContact CE-SD 4.28Å; L203-M207 VanDerWaalsContact O-CG 3.23Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 2.85Å; S204-M207 PolarHBondContact O-N 3.44Å; F205-M207 VanDerWaalsContact C-N 3.3Å; F205-M207 PolarHBondContact O-N 3.14Å; M207-N209 VanDerWaalsContact C-N 3.31Å; M207-N209 PolarHBondContact O-N 2.96Å; M207-H210 PolarHBondContact O-N 2.89Å; M207-G211 PolarHBondContact O-N 2.94Å; M207-L229 HydrophobicContact CE-CD1 3.98Å; M207-L229 HydrophobicContact CE-CD2 3.99Å; M207-L229 HydrophobicContact SD-CD1 4.47Å; M207-L229 HydrophobicContact SD-CD2 3.46Å; M207-L229 WeakPolarHBondContact SD-CD2 3.34Å; M207-I306 HydrophobicContact CB-CG2 3.77Å; M207-I306 HydrophobicContact CE-CG2 3.81Å; M207-T307 WeakPolarHBondContact CE-O 3.35Å; M207-V368 HydrophobicContact CB-CG1 4.1Å; M207-V368 HydrophobicContact CE-CG1 4.24Å; M207-V368 HydrophobicContact CG-CG1 4.2Å; M207-W370 PolarHBondContact SD-NE1 3.07Å; M207-L407 HydrophobicContact CE-CD1 3.98Å; M207-L407 HydrophobicContact CG-CD1 3.72Å; M207-L407 HydrophobicContact CG-CD2 4.14Å; M207-L407 HydrophobicContact SD-CD1 4.17Å
208A98.6Very high96.7Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-61.2-38.6174.400000112.6S204 F205 I206 G211 K212 V213 A232 F236 I306S204-A208 PolarHBondContact O-N 3.35Å; F205-A208 PolarHBondContact O-N 3.33Å; I206-A208 PolarHBondContact O-N 2.75Å; A208-G211 PolarHBondContact O-N 2.85Å; A208-K212 PolarHBondContact O-N 3.07Å; A208-V213 HydrophobicContact CB-CG2 4.41Å; A208-V213 PolarHBondContact O-N 3.25Å; A208-V213 VanDerWaalsContact O-N 3.16Å; A208-A232 HydrophobicContact CB-CB 4.38Å; A208-F236 HydrophobicContact CB-CD2 3.91Å; A208-F236 HydrophobicContact CB-CE2 3.92Å; A208-I306 HydrophobicContact CB-CD1 4.48Å
209N98.5Very high97.3Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-68.7-41.5175.3-72.4-21.5000112.2E25 S28 L29 R66 F205 I206 M207 G211 K212 F236E25-N209 HydrophobicContact CG-CB 3.76Å; E25-N209 PolarHBondContact OE1-ND2 2.88Å; S28-N209 WeakPolarHBondContact CB-O 3.48Å; L29-N209 HydrophobicContact CD2-CB 4.06Å; L29-N209 HydrophobicContact CG-CB 4.3Å; R66-N209 PolarHBondContact NE-OD1 2.8Å; R66-N209 PolarHBondContact NH2-OD1 3.38Å; R66-N209 PolarHBondContact O-ND2 3.47Å; F205-N209 WeakPolarHBondContact O-CB 3.4Å; F205-N209 VanDerWaalsContact O-CG 3.31Å; F205-N209 PolarHBondContact O-N 3.01Å; F205-N209 PolarHBondContact O-ND2 2.76Å; I206-N209 PolarHBondContact O-N 3.41Å; M207-N209 VanDerWaalsContact C-N 3.31Å; M207-N209 PolarHBondContact O-N 2.96Å; N209-G211 VanDerWaalsContact C-N 3.27Å; N209-G211 PolarHBondContact O-N 2.77Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.09Å; N209-F236 VanDerWaalsContact OD1-CE2 3.27Å; N209-F236 WeakPolarHBondContact OD1-CE2 3.47Å; N209-F236 WeakPolarHBondContact OD1-CZ 3.44Å
210H98.6Very high97.7Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-60.3-39.3171.9-84.4-126.3000111.8P24 I206 M207 K212 R366 V368 T409P24-H210 VanDerWaalsContact CB-CE1 3.43Å; P24-H210 WeakPolarHBondContact CB-CE1 3.43Å; I206-H210 PolarHBondContact O-CD2 3.32Å; I206-H210 PolarHBondContact O-N 2.97Å; M207-H210 PolarHBondContact O-N 2.89Å; H210-K212 PolarHBondContact O-N 3.39Å; H210-R366 WeakPolarHBondContact O-CD 3.09Å; H210-R366 PolarHBondContact O-NH1 3.1Å; H210-V368 HydrophobicContact CB-CG1 4.14Å; H210-V368 HydrophobicContact CB-CG2 4.09Å; H210-T409 HydrophobicContact CB-CG2 4.46Å; H210-T409 PolarHBondContact ND1-OG1 3.09Å
211G98.3Very high97.9Very high4 Ų422.2 Ų22.24%0.04111%0.108CC..THydrogen-bonded Turntrans-70.9-6.6176.800000113.8M207 A208 N209 V213M207-G211 PolarHBondContact O-N 2.94Å; A208-G211 PolarHBondContact O-N 2.85Å; N209-G211 VanDerWaalsContact C-N 3.27Å; N209-G211 PolarHBondContact O-N 2.77Å; G211-V213 PolarHBondContact O-N 3.17Å
212K98.1Very high98Very high37 Ų3722.4 Ų22.416%0.16111%0.11CC..THydrogen-bonded Turntrans55.426.2-174.7-69.1178.1167.5171.90113.6S31 L32 A208 N209 H210 K214 R366 E411S31-K212 WeakPolarHBondContact OG-CE 3.42Å; S31-K212 PolarHBondContact OG-NZ 3.28Å; L32-K212 HydrophobicContact CB-CG 4.42Å; L32-K212 HydrophobicContact CD1-CB 4.3Å; A208-K212 PolarHBondContact O-N 3.07Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.09Å; H210-K212 PolarHBondContact O-N 3.39Å; K212-K214 PolarHBondContact O-N 3.19Å; K212-R366 VanDerWaalsContact NZ-NH2 3.13Å; K212-E411 IonicContact NZ-OE2 3.76Å
213V98.3Very high97.9Very high0 Ų024 Ų240%012%0.116CC..  trans-56.3126.6-177.6176.30000110.2R66 A208 G211 D217 V219 F236 A238 A304 I306R66-V213 PolarHBondContact NH1-O 3.37Å; R66-V213 PolarHBondContact NH2-O 3.15Å; A208-V213 HydrophobicContact CB-CG2 4.41Å; A208-V213 PolarHBondContact O-N 3.25Å; A208-V213 VanDerWaalsContact O-N 3.16Å; G211-V213 PolarHBondContact O-N 3.17Å; V213-D217 WeakPolarHBondContact CA-OD2 3.36Å; V213-V219 HydrophobicContact CB-CG2 4.34Å; V213-V219 HydrophobicContact CG1-CG2 3.69Å; V213-V219 HydrophobicContact CG2-CG2 3.72Å; V213-F236 HydrophobicContact CG1-CB 4.49Å; V213-A238 HydrophobicContact CG1-CB 3.41Å; V213-A238 VanDerWaalsContact CG1-CB 3.41Å; V213-A304 HydrophobicContact CG2-CB 4.1Å; V213-I306 HydrophobicContact CG2-CD1 3.45Å; V213-I306 VanDerWaalsContact CG2-CD1 3.45Å
214K96.6Very high97.8Very high111 Ų11124.1 Ų24.148%0.48312%0.117SC..  trans-129.2177.817860.3176.5178.7-174.80111.1L32 K212 N216 D217 F236L32-K214 HydrophobicContact CD1-CB 4.39Å; L32-K214 HydrophobicContact CD1-CD 4.35Å; K212-K214 PolarHBondContact O-N 3.19Å; K214-N216 PolarHBondContact O-N 2.78Å; K214-D217 WeakPolarHBondContact CE-OD1 3.42Å; K214-D217 VanDerWaalsContact CG-CG 3.45Å; K214-D217 WeakPolarHBondContact CG-OD1 3.41Å; K214-D217 VanDerWaalsContact CG-OD2 3.31Å; K214-D217 WeakPolarHBondContact CG-OD2 3.41Å; K214-D217 PolarHBondContact N-OD2 2.77Å; K214-D217 VanDerWaalsContact O-CB 3.32Å; K214-D217 WeakPolarHBondContact O-CB 3.48Å; K214-D217 PolarHBondContact O-N 3.38Å; K214-F236 CarbonylContact C-O 3.56Å
215E97.9Very high97.6Very high129 Ų12924.9 Ų24.960%0.60313%0.126SC*.THydrogen-bonded Turntrans-58.1136.1179.1-166.2179.8-17600111.2D217 F236E215-D217 PolarHBondContact O-N 3.09Å; E215-F236 PolarHBondContact N-O 3.04Å
216N97.7Very high97.3Very high97 Ų9725.3 Ų25.352%0.51913%0.128SC..THydrogen-bonded Turntrans692.9-177.5-50.5-61.9000116.4K214 G237 Y239K214-N216 PolarHBondContact O-N 2.78Å; N216-G237 PolarHBondContact N-O 3.04Å; N216-Y239 HydrophobicContact CB-CE2 4.48Å
217D98.5Very high97.1Very high10 Ų1025.2 Ų25.25%0.05313%0.128CC..  trans-62.3149.1169.3-77.60.3000110.5V213 K214 E215 V219 A238 Y239 D303V213-D217 WeakPolarHBondContact CA-OD2 3.36Å; K214-D217 WeakPolarHBondContact CE-OD1 3.42Å; K214-D217 VanDerWaalsContact CG-CG 3.45Å; K214-D217 WeakPolarHBondContact CG-OD1 3.41Å; K214-D217 VanDerWaalsContact CG-OD2 3.31Å; K214-D217 WeakPolarHBondContact CG-OD2 3.41Å; K214-D217 PolarHBondContact N-OD2 2.77Å; K214-D217 VanDerWaalsContact O-CB 3.32Å; K214-D217 WeakPolarHBondContact O-CB 3.48Å; K214-D217 PolarHBondContact O-N 3.38Å; E215-D217 PolarHBondContact O-N 3.09Å; D217-V219 HydrophobicContact CB-CG2 4.42Å; D217-A238 HydrophobicContact CB-CB 4.04Å; D217-A238 CarbonylContact O-C 3.55Å; D217-A238 VanDerWaalsContact O-CA 3.3Å; D217-A238 WeakPolarHBondContact O-CA 3.32Å; D217-A238 WeakPolarHBondContact O-CB 3.46Å; D217-Y239 PolarHBondContact O-N 3.36Å; D217-D303 WeakPolarHBondContact CA-OD2 3.36Å; D217-D303 HydrophobicContact CB-CB 3.73Å
218I98.4Very high96.9Very high60 Ų6025.4 Ų25.431%0.30813%0.13SC..EExtended strand (participates in β ladder)trans-98.2112.9166.3-53.1180000108.3Y239 L284 F302 D303I218-Y239 WeakPolarHBondContact CA-O 3.43Å; I218-L284 HydrophobicContact CG2-CD1 4.15Å; I218-F302 HydrophobicContact CG2-CD1 3.79Å; I218-F302 HydrophobicContact CG2-CE1 4.24Å; I218-D303 PolarHBondContact N-OD2 3.44Å; I218-D303 PolarHBondContact O-N 3.4Å
219V98.8Very high96.9Very high1 Ų125.8 Ų25.81%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-106.1132.4179.7178.60000110.9V213 D217 A238 Y239 V240 Y241 A304 I306V213-V219 HydrophobicContact CB-CG2 4.34Å; V213-V219 HydrophobicContact CG1-CG2 3.69Å; V213-V219 HydrophobicContact CG2-CG2 3.72Å; D217-V219 HydrophobicContact CB-CG2 4.42Å; V219-A238 HydrophobicContact CG2-CB 3.75Å; V219-Y239 PolarHBondContact N-O 3.07Å; V219-V240 HydrophobicContact CB-CG1 4.45Å; V219-Y241 PolarHBondContact O-N 3.47Å; V219-A304 WeakPolarHBondContact CA-O 3.48Å; V219-A304 HydrophobicContact CG2-CB 4.29Å; V219-I306 HydrophobicContact CG1-CB 4.39Å; V219-I306 HydrophobicContact CG1-CD1 4.21Å; V219-I306 HydrophobicContact CG1-CG1 4.16Å
220F98.2Very high96.8Very high2 Ų225.8 Ų25.81%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-117.9136.5-178.7-177.5-114.5000113.3P222 Y241 T243 W296 F302 A304 I305 I306 F356F220-P222 HydrophobicContact CD1-CB 4.5Å; F220-P222 HydrophobicContact CE1-CB 3.69Å; F220-P222 HydrophobicContact CE1-CG 4.17Å; F220-P222 HydrophobicContact CZ-CB 4.14Å; F220-Y241 WeakPolarHBondContact CA-O 3.43Å; F220-Y241 AromaticContact CD2-CD1 3.62Å; F220-Y241 HydrophobicContact CD2-CD1 3.62Å; F220-Y241 HydrophobicContact CD2-CG 4.41Å; F220-Y241 WeakPolarHBondContact CD2-O 3.26Å; F220-Y241 AromaticContact CE2-CD1 3.61Å; F220-Y241 HydrophobicContact CE2-CD1 3.61Å; F220-Y241 HydrophobicContact CE2-CE1 4.13Å; F220-T243 HydrophobicContact CE2-CG2 3.96Å; F220-T243 HydrophobicContact CZ-CG2 3.91Å; F220-W296 HydrophobicContact CD2-CZ2 4.11Å; F220-W296 AromaticContact CE2-CZ2 3.59Å; F220-W296 HydrophobicContact CE2-CZ2 3.59Å; F220-W296 AromaticContact CZ-CZ2 3.92Å; F220-W296 HydrophobicContact CZ-CZ2 3.92Å; F220-W296 AromaticContact CZ-NE1 3.85Å; F220-F302 HydrophobicContact CB-CB 4.4Å; F220-F302 HydrophobicContact CB-CD1 3.59Å; F220-F302 HydrophobicContact CB-CD2 3.93Å; F220-F302 HydrophobicContact CB-CE1 3.72Å; F220-F302 HydrophobicContact CB-CE2 4.07Å; F220-F302 HydrophobicContact CB-CG 3.69Å; F220-F302 HydrophobicContact CB-CZ 3.96Å; F220-F302 HydrophobicContact CD1-CD2 4.32Å; F220-F302 AromaticContact CD1-CE2 3.98Å; F220-F302 HydrophobicContact CD1-CE2 3.98Å; F220-F302 HydrophobicContact CD1-CZ 4.24Å; F220-F302 HydrophobicContact CD2-CE1 4.2Å; F220-F302 HydrophobicContact CD2-CZ 4.04Å; F220-F302 HydrophobicContact CG-CD1 4.34Å; F220-F302 HydrophobicContact CG-CD2 4.26Å; F220-F302 HydrophobicContact CG-CE1 4.01Å; F220-F302 AromaticContact CG-CE2 3.95Å; F220-F302 HydrophobicContact CG-CE2 3.95Å; F220-F302 HydrophobicContact CG-CG 4.45Å; F220-F302 AromaticContact CG-CZ 3.8Å; F220-F302 HydrophobicContact CG-CZ 3.8Å; F220-A304 PolarHBondContact N-O 3.09Å; F220-I305 HydrophobicContact CB-CG1 4.31Å; F220-I305 HydrophobicContact CD1-CG1 4.4Å; F220-I305 CarbonylContact O-C 3.58Å; F220-I305 VanDerWaalsContact O-CA 3.28Å; F220-I305 WeakPolarHBondContact O-CA 3.12Å; F220-I306 PolarHBondContact O-N 2.96Å; F220-F356 AromaticContact CD1-CE1 3.52Å; F220-F356 HydrophobicContact CD1-CE1 3.52Å; F220-F356 AromaticContact CD1-CZ 3.98Å; F220-F356 HydrophobicContact CD1-CZ 3.98Å; F220-F356 HydrophobicContact CE1-CD1 4.38Å; F220-F356 AromaticContact CE1-CE1 3.36Å; F220-F356 HydrophobicContact CE1-CE1 3.36Å; F220-F356 AromaticContact CE1-CZ 3.57Å; F220-F356 HydrophobicContact CE1-CZ 3.57Å; F220-F356 HydrophobicContact CZ-CZ 4.37Å
221D97.9Very high96.8Very high2 Ų225.9 Ų25.91%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-121.7105.6170.6-170.2-13.1000110.7F223 V224 L229 L230 Y241 G242 T243 I306 T307D221-F223 PolarHBondContact O-N 2.88Å; D221-F223 VanDerWaalsContact OD1-C 3.24Å; D221-F223 PolarHBondContact OD1-N 3.43Å; D221-V224 HydrophobicContact CB-CB 4.24Å; D221-V224 HydrophobicContact CB-CG2 4.4Å; D221-V224 PolarHBondContact OD1-N 3.45Å; D221-V224 WeakPolarHBondContact OD2-CA 3.4Å; D221-L229 WeakPolarHBondContact OD2-CD1 2.92Å; D221-L230 HydrophobicContact CB-CD2 3.66Å; D221-L230 HydrophobicContact CB-CG 4.4Å; D221-Y241 PolarHBondContact N-O 3.29Å; D221-G242 CarbonylContact O-C 3.16Å; D221-G242 WeakPolarHBondContact O-CA 3.28Å; D221-T243 PolarHBondContact O-N 3.18Å; D221-I306 VanDerWaalsContact CB-O 3.3Å; D221-I306 WeakPolarHBondContact CB-O 3.49Å; D221-T307 WeakPolarHBondContact OD1-CA 3.48Å; D221-T307 WeakPolarHBondContact OD1-CB 3.46Å; D221-T307 PolarHBondContact OD1-OG1 3.11Å
222P95.9Very high96.8Very high6 Ų625.8 Ų25.84%0.03913%0.131CC..THydrogen-bonded Turntrans-68.9-11.9178.523.3-32.4000114.9F220 T243 A291 I305 T307 L353F220-P222 HydrophobicContact CD1-CB 4.5Å; F220-P222 HydrophobicContact CE1-CB 3.69Å; F220-P222 HydrophobicContact CE1-CG 4.17Å; F220-P222 HydrophobicContact CZ-CB 4.14Å; P222-T243 CarbonylContact C-O 3.59Å; P222-T243 WeakPolarHBondContact CA-OG1 3.16Å; P222-T243 PolarHBondContact O-OG1 3.46Å; P222-T243 VanDerWaalsContact O-OG1 3.05Å; P222-A291 HydrophobicContact CB-CB 4.21Å; P222-I305 HydrophobicContact CG-CG2 4.32Å; P222-T307 HydrophobicContact CG-CG2 4.1Å; P222-L353 HydrophobicContact CG-CD1 3.67Å
223F94.9Very high96.8Very high34 Ų3424 Ų2415%0.14912%0.124CC..THydrogen-bonded Turntrans-133.955.8-179.3-56.3-78.5000109.9D221 G225 T243 A291 T307 P309 P310 M349D221-F223 PolarHBondContact O-N 2.88Å; D221-F223 VanDerWaalsContact OD1-C 3.24Å; D221-F223 PolarHBondContact OD1-N 3.43Å; F223-G225 VanDerWaalsContact C-N 3.29Å; F223-G225 PolarHBondContact O-N 3.37Å; F223-T243 PolarHBondContact N-O 2.9Å; F223-A291 HydrophobicContact CD1-CB 4.29Å; F223-A291 HydrophobicContact CE1-CB 3.49Å; F223-A291 VanDerWaalsContact CE1-CB 3.49Å; F223-A291 HydrophobicContact CE2-CB 4.15Å; F223-A291 HydrophobicContact CZ-CB 3.4Å; F223-A291 VanDerWaalsContact CZ-CB 3.4Å; F223-T307 HydrophobicContact CD2-CG2 4.45Å; F223-T307 WeakPolarHBondContact CD2-OG1 3.22Å; F223-P309 HydrophobicContact CD2-CB 3.77Å; F223-P309 HydrophobicContact CD2-CG 3.81Å; F223-P309 HydrophobicContact CE2-CB 3.84Å; F223-P309 HydrophobicContact CE2-CG 3.94Å; F223-P309 HydrophobicContact CG-CB 4.3Å; F223-P309 HydrophobicContact CZ-CB 4.4Å; F223-P310 HydrophobicContact CD1-CG 4.41Å; F223-M349 HydrophobicContact CE1-CG 4.44Å; F223-M349 HydrophobicContact CE1-SD 4.36Å; F223-M349 HydrophobicContact CE2-CG 4.38Å; F223-M349 HydrophobicContact CZ-CG 3.75Å; F223-M349 HydrophobicContact CZ-SD 4.09Å
224V95.3Very high96.8Very high7 Ų724 Ų244%0.04212%0.124CC..  trans-62.2-29.7-164.169.50000114.8D221 T226 G227 L230 T243 D244 I270 V286D221-V224 HydrophobicContact CB-CB 4.24Å; D221-V224 HydrophobicContact CB-CG2 4.4Å; D221-V224 PolarHBondContact OD1-N 3.45Å; D221-V224 WeakPolarHBondContact OD2-CA 3.4Å; V224-T226 PolarHBondContact O-N 2.95Å; V224-G227 PolarHBondContact O-N 3.4Å; V224-L230 HydrophobicContact CG2-CD1 3.43Å; V224-L230 VanDerWaalsContact CG2-CD1 3.43Å; V224-L230 HydrophobicContact CG2-CG 3.81Å; V224-T243 WeakPolarHBondContact CG1-O 3Å; V224-T243 PolarHBondContact N-O 3.12Å; V224-D244 HydrophobicContact CG1-CB 3.91Å; V224-I270 HydrophobicContact CG1-CD1 4.15Å; V224-I270 HydrophobicContact CG2-CD1 4.39Å; V224-V286 HydrophobicContact CG1-CG1 3.6Å; V224-V286 HydrophobicContact CG1-CG2 4.45Å; V224-V286 HydrophobicContact CG2-CG2 4.17Å
225G93.4Very high96.9Very high19 Ų1921.4 Ų21.420%0.19611%0.113CC..THydrogen-bonded Turntrans49.1-114.4-173.600000111.7F223 D244 T249 I270F223-G225 VanDerWaalsContact C-N 3.29Å; F223-G225 PolarHBondContact O-N 3.37Å; G225-D244 VanDerWaalsContact CA-OD2 3.24Å; G225-D244 WeakPolarHBondContact CA-OD2 3.42Å; G225-D244 PolarHBondContact N-OD2 3.18Å; G225-T249 VanDerWaalsContact O-CG2 3.26Å; G225-T249 WeakPolarHBondContact O-CG2 3.24Å; G225-I270 WeakPolarHBondContact O-CD1 3.28Å
226T92.6Very high96.9Very high11 Ų1116.6 Ų16.67%0.0679%0.09CC..THydrogen-bonded Turntrans-91.36.6-179.353.10000114.7F193 G195 S198 V224 N273F193-T226 HydrophobicContact CD1-CG2 4.08Å; F193-T226 HydrophobicContact CE1-CG2 3.64Å; F193-T226 HydrophobicContact CE2-CG2 4.47Å; F193-T226 HydrophobicContact CZ-CG2 3.85Å; G195-T226 VanDerWaalsContact N-CG2 3.29Å; S198-T226 PolarHBondContact OG-OG1 3.28Å; V224-T226 PolarHBondContact O-N 2.95Å; T226-N273 PolarHBondContact O-ND2 3.41Å; T226-N273 VanDerWaalsContact O-ND2 3.12Å
227G94.6Very high96.9Very high0 Ų012.1 Ų12.10%07%0.067CC..SBendtrans78.219.5176.500000115.2V224 L229 L230 I231V224-G227 PolarHBondContact O-N 3.4Å; G227-L229 VanDerWaalsContact C-N 3.33Å; G227-L229 PolarHBondContact O-N 2.8Å; G227-L230 PolarHBondContact O-N 3.27Å; G227-I231 WeakPolarHBondContact O-CG1 3.33Å; G227-I231 PolarHBondContact O-N 3.16Å; G227-I231 VanDerWaalsContact O-N 3.11Å
228G94.3Very high96.9Very high4 Ų411.7 Ų11.74%0.0417%0.065CC..Hα-helixtrans-56.7-43.9-17900000113.5I231G228-I231 PolarHBondContact O-N 3.35Å
229L97.6Very high96.9Very high7 Ų712.8 Ų12.84%0.0377%0.066CC..Hα-helixtrans-70.6-34.3179.6-62.1177.6000112.4M199 M207 D221 G227 A232 S233 I306 D308M199-L229 HydrophobicContact CB-CD2 4.27Å; M199-L229 HydrophobicContact CG-CD2 3.83Å; M207-L229 HydrophobicContact CE-CD1 3.98Å; M207-L229 HydrophobicContact CE-CD2 3.99Å; M207-L229 HydrophobicContact SD-CD1 4.47Å; M207-L229 HydrophobicContact SD-CD2 3.46Å; M207-L229 WeakPolarHBondContact SD-CD2 3.34Å; D221-L229 WeakPolarHBondContact OD2-CD1 2.92Å; G227-L229 VanDerWaalsContact C-N 3.33Å; G227-L229 PolarHBondContact O-N 2.8Å; L229-A232 PolarHBondContact O-N 3.47Å; L229-S233 PolarHBondContact O-N 3.46Å; L229-S233 PolarHBondContact O-OG 3.11Å; L229-I306 HydrophobicContact CB-CG2 4.37Å; L229-I306 HydrophobicContact CD1-CG2 4.32Å; L229-I306 HydrophobicContact CD2-CG2 4.42Å; L229-D308 HydrophobicContact CD1-CB 4.28Å
230L98Very high96.9Very high1 Ų112.8 Ų12.81%0.0057%0.065CC..Hα-helixtrans-65.3-40.9175.7-59.7-167.9000111.5D221 V224 G227 A232 S233 A234 V240 V286D221-L230 HydrophobicContact CB-CD2 3.66Å; D221-L230 HydrophobicContact CB-CG 4.4Å; V224-L230 HydrophobicContact CG2-CD1 3.43Å; V224-L230 VanDerWaalsContact CG2-CD1 3.43Å; V224-L230 HydrophobicContact CG2-CG 3.81Å; G227-L230 PolarHBondContact O-N 3.27Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.15Å; L230-S233 PolarHBondContact O-N 2.95Å; L230-S233 VanDerWaalsContact O-N 3.16Å; L230-A234 WeakPolarHBondContact O-CB 3.38Å; L230-A234 PolarHBondContact O-N 2.9Å; L230-V240 HydrophobicContact CB-CB 3.91Å; L230-V240 HydrophobicContact CB-CG1 4.19Å; L230-V240 HydrophobicContact CB-CG2 4.06Å; L230-V240 HydrophobicContact CD1-CB 4.23Å; L230-V240 HydrophobicContact CD1-CG2 4.45Å; L230-V240 HydrophobicContact CD2-CB 4.04Å; L230-V240 HydrophobicContact CD2-CG1 4.4Å; L230-V240 HydrophobicContact CG-CB 4.27Å; L230-V240 WeakPolarHBondContact O-CG1 3.4Å; L230-V286 HydrophobicContact CD1-CG2 4.11Å
231I97.7Very high96.8Very high2 Ų214.6 Ų14.61%0.017%0.072CC..Hα-helixtrans-57.9-45.5179.1-63.9158.6000111.3Y186 G227 G228 S233 A234 H235 N273 L274 Y277 L279Y186-I231 HydrophobicContact CD1-CG2 3.42Å; Y186-I231 VanDerWaalsContact CD1-CG2 3.42Å; Y186-I231 HydrophobicContact CE1-CG2 3.46Å; Y186-I231 VanDerWaalsContact CE1-CG2 3.46Å; G227-I231 WeakPolarHBondContact O-CG1 3.33Å; G227-I231 PolarHBondContact O-N 3.16Å; G227-I231 VanDerWaalsContact O-N 3.11Å; G228-I231 PolarHBondContact O-N 3.35Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.48Å; I231-A234 PolarHBondContact O-N 3.32Å; I231-H235 PolarHBondContact O-N 2.93Å; I231-N273 HydrophobicContact CD1-CB 3.75Å; I231-N273 HydrophobicContact CG1-CB 4.32Å; I231-L274 HydrophobicContact CG1-CD1 3.53Å; I231-L274 HydrophobicContact CG1-CG 4.45Å; I231-Y277 HydrophobicContact CD1-CE2 4.29Å; I231-Y277 HydrophobicContact CG2-CD2 3.75Å; I231-Y277 HydrophobicContact CG2-CE2 4.06Å; I231-L279 HydrophobicContact CG2-CD1 4.23Å
232A97.9Very high96.7Very high2 Ų214.5 Ų14.52%0.0177%0.072CC..Hα-helixtrans-65.7-36179.300000112.4F205 A208 L229 L230 H235 F236F205-A232 HydrophobicContact CD1-CB 3.86Å; F205-A232 HydrophobicContact CE1-CB 3.98Å; F205-A232 HydrophobicContact CG-CB 4.16Å; F205-A232 HydrophobicContact CZ-CB 4.39Å; A208-A232 HydrophobicContact CB-CB 4.38Å; L229-A232 PolarHBondContact O-N 3.47Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.15Å; A232-H235 WeakPolarHBondContact O-CB 3.38Å; A232-F236 WeakPolarHBondContact O-CD2 3.47Å
233S98.6Very high96.7Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-69.4-45.1176.4-56.40000111.6L229 L230 I231 H235 F236 A238L229-S233 PolarHBondContact O-N 3.46Å; L229-S233 PolarHBondContact O-OG 3.11Å; L230-S233 PolarHBondContact O-N 2.95Å; L230-S233 VanDerWaalsContact O-N 3.16Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.48Å; S233-H235 VanDerWaalsContact C-N 3.29Å; S233-H235 PolarHBondContact O-N 3.4Å; S233-F236 PolarHBondContact O-N 3.35Å; S233-F236 VanDerWaalsContact O-N 3.09Å; S233-A238 WeakPolarHBondContact O-CB 3.17Å; S233-A238 PolarHBondContact O-N 3.03Å
234A98.6Very high96.6Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-63.8-32.2176.600000112.9L230 I231 F236 G237 A238 V240 L279 Y282L230-A234 WeakPolarHBondContact O-CB 3.38Å; L230-A234 PolarHBondContact O-N 2.9Å; I231-A234 PolarHBondContact O-N 3.32Å; A234-F236 PolarHBondContact O-N 3.23Å; A234-G237 WeakPolarHBondContact O-CA 3.49Å; A234-G237 PolarHBondContact O-N 3.06Å; A234-A238 WeakPolarHBondContact CA-O 3.45Å; A234-V240 HydrophobicContact CB-CG1 4Å; A234-V240 HydrophobicContact CB-CG2 4.2Å; A234-L279 HydrophobicContact CB-CB 4.2Å; A234-L279 HydrophobicContact CB-CD1 4.18Å; A234-Y282 HydrophobicContact CB-CD2 4.31Å; A234-Y282 WeakPolarHBondContact O-CD2 3.42Å; A234-Y282 WeakPolarHBondContact O-CE2 2.83Å
235H98.3Very high96.4Very high56 Ų5616.2 Ų16.226%0.2598%0.082SC..Hα-helixtrans-58.1-35.1173.2178.682.9000112.2L182 Y186 F205 I231 A232 S233 G237 L279L182-H235 WeakPolarHBondContact CD1-NE2 3.38Å; Y186-H235 AromaticContact CE2-ND1 3.95Å; Y186-H235 AromaticContact CZ-ND1 3.69Å; Y186-H235 PolarHBondContact OH-ND1 3.19Å; F205-H235 HydrophobicContact CE1-CB 3.77Å; F205-H235 AromaticContact CE1-CD2 3.56Å; F205-H235 AromaticContact CE1-CG 3.67Å; F205-H235 HydrophobicContact CZ-CB 4.21Å; I231-H235 PolarHBondContact O-N 2.93Å; A232-H235 WeakPolarHBondContact O-CB 3.38Å; S233-H235 VanDerWaalsContact C-N 3.29Å; S233-H235 PolarHBondContact O-N 3.4Å; H235-G237 PolarHBondContact O-N 3.02Å; H235-L279 HydrophobicContact CB-CD1 4.2Å
236F97.9Very high96.2Very high27 Ų2718 Ų1812%0.1189%0.087CC..THydrogen-bonded Turntrans-85.513174.5-63.1-48.5000113.8R66 F205 A208 N209 V213 K214 E215 A232 S233 A234R66-F236 HydrophobicContact CB-CE1 4.31Å; R66-F236 HydrophobicContact CB-CZ 4.39Å; R66-F236 HydrophobicContact CG-CD1 4.41Å; R66-F236 HydrophobicContact CG-CE1 3.93Å; R66-F236 HydrophobicContact CG-CZ 4.42Å; R66-F236 VanDerWaalsContact NH2-CD2 3.29Å; F205-F236 AromaticContact CD1-CE2 3.8Å; F205-F236 HydrophobicContact CD1-CE2 3.8Å; F205-F236 AromaticContact CD1-CZ 3.81Å; F205-F236 HydrophobicContact CD1-CZ 3.81Å; F205-F236 HydrophobicContact CE1-CE2 4.44Å; F205-F236 HydrophobicContact CE1-CZ 4.37Å; A208-F236 HydrophobicContact CB-CD2 3.91Å; A208-F236 HydrophobicContact CB-CE2 3.92Å; N209-F236 VanDerWaalsContact OD1-CE2 3.27Å; N209-F236 WeakPolarHBondContact OD1-CE2 3.47Å; N209-F236 WeakPolarHBondContact OD1-CZ 3.44Å; V213-F236 HydrophobicContact CG1-CB 4.49Å; K214-F236 CarbonylContact C-O 3.56Å; E215-F236 PolarHBondContact N-O 3.04Å; A232-F236 WeakPolarHBondContact O-CD2 3.47Å; S233-F236 PolarHBondContact O-N 3.35Å; S233-F236 VanDerWaalsContact O-N 3.09Å; A234-F236 PolarHBondContact O-N 3.23Å
237G98.2Very high96.1Very high4 Ų423.6 Ų23.64%0.04111%0.108CC..THydrogen-bonded Turntrans84.314.1173.300000115.1N216 A234 H235N216-G237 PolarHBondContact N-O 3.04Å; A234-G237 WeakPolarHBondContact O-CA 3.49Å; A234-G237 PolarHBondContact O-N 3.06Å; H235-G237 PolarHBondContact O-N 3.02Å
238A98.6Very high95.8Very high0 Ų027.4 Ų27.40%013%0.128CC..  trans-83.8143.2176.500000111.9V213 D217 V219 S233 A234 Y282V213-A238 HydrophobicContact CG1-CB 3.41Å; V213-A238 VanDerWaalsContact CG1-CB 3.41Å; D217-A238 HydrophobicContact CB-CB 4.04Å; D217-A238 CarbonylContact O-C 3.55Å; D217-A238 VanDerWaalsContact O-CA 3.3Å; D217-A238 WeakPolarHBondContact O-CA 3.32Å; D217-A238 WeakPolarHBondContact O-CB 3.46Å; V219-A238 HydrophobicContact CG2-CB 3.75Å; S233-A238 WeakPolarHBondContact O-CB 3.17Å; S233-A238 PolarHBondContact O-N 3.03Å; A234-A238 WeakPolarHBondContact CA-O 3.45Å; A238-Y282 WeakPolarHBondContact O-CB 3.16Å
239Y98.8Very high95.5Very high84 Ų8428.9 Ų28.933%0.32914%0.136SC..EExtended strand (participates in β ladder)trans-74.5130.2167.8-66.7-82.4000109.6N216 D217 I218 V219 Y282 L284N216-Y239 HydrophobicContact CB-CE2 4.48Å; D217-Y239 PolarHBondContact O-N 3.36Å; I218-Y239 WeakPolarHBondContact CA-O 3.43Å; V219-Y239 PolarHBondContact N-O 3.07Å; Y239-Y282 CarbonylContact C-O 3.59Å; Y239-Y282 WeakPolarHBondContact CA-O 3.41Å; Y239-Y282 HydrophobicContact CD1-CD1 4.37Å; Y239-Y282 HydrophobicContact CE1-CD1 4.26Å; Y239-L284 HydrophobicContact CD1-CD2 3.89Å; Y239-L284 HydrophobicContact CD1-CG 4.45Å; Y239-L284 HydrophobicContact CG-CD2 4.31Å
240V98.6Very high95.2Very high0 Ų029.1 Ų29.10%014%0.138CC..EExtended strand (participates in β ladder)trans-116.7133.7-169-66.50000112.4V219 L230 A234 L274 Y282 L284V219-V240 HydrophobicContact CB-CG1 4.45Å; L230-V240 HydrophobicContact CB-CB 3.91Å; L230-V240 HydrophobicContact CB-CG1 4.19Å; L230-V240 HydrophobicContact CB-CG2 4.06Å; L230-V240 HydrophobicContact CD1-CB 4.23Å; L230-V240 HydrophobicContact CD1-CG2 4.45Å; L230-V240 HydrophobicContact CD2-CB 4.04Å; L230-V240 HydrophobicContact CD2-CG1 4.4Å; L230-V240 HydrophobicContact CG-CB 4.27Å; L230-V240 WeakPolarHBondContact O-CG1 3.4Å; A234-V240 HydrophobicContact CB-CG1 4Å; A234-V240 HydrophobicContact CB-CG2 4.2Å; V240-L274 HydrophobicContact CG2-CD2 3.69Å; V240-Y282 PolarHBondContact N-O 3.12Å; V240-L284 WeakPolarHBondContact O-CB 3.33Å; V240-L284 PolarHBondContact O-N 3.35Å
241Y95.6Very high94.8Very high40 Ų4033.4 Ų33.416%0.15716%0.158CC..EExtended strand (participates in β ladder)trans-134.4149.7179.7-163-83.9000109.6V219 F220 D221 L284 D285 L287 W296V219-Y241 PolarHBondContact O-N 3.47Å; F220-Y241 WeakPolarHBondContact CA-O 3.43Å; F220-Y241 AromaticContact CD2-CD1 3.62Å; F220-Y241 HydrophobicContact CD2-CD1 3.62Å; F220-Y241 HydrophobicContact CD2-CG 4.41Å; F220-Y241 WeakPolarHBondContact CD2-O 3.26Å; F220-Y241 AromaticContact CE2-CD1 3.61Å; F220-Y241 HydrophobicContact CE2-CD1 3.61Å; F220-Y241 HydrophobicContact CE2-CE1 4.13Å; D221-Y241 PolarHBondContact N-O 3.29Å; Y241-L284 HydrophobicContact CD2-CB 3.78Å; Y241-L284 HydrophobicContact CD2-CD1 4.49Å; Y241-D285 WeakPolarHBondContact CA-O 3.36Å; Y241-D285 HydrophobicContact CD2-CB 4.31Å; Y241-D285 HydrophobicContact CE2-CB 3.91Å; Y241-L287 HydrophobicContact CE1-CD1 4.47Å; Y241-L287 HydrophobicContact CE1-CG 4.35Å; Y241-L287 WeakPolarHBondContact OH-CD1 3.08Å; Y241-L287 VanDerWaalsContact OH-CG 3.24Å; Y241-L287 WeakPolarHBondContact OH-CG 3.37Å; Y241-W296 AromaticContact CD1-CH2 3.55Å; Y241-W296 HydrophobicContact CD1-CH2 3.55Å; Y241-W296 AromaticContact CD1-CZ2 3.7Å; Y241-W296 HydrophobicContact CD1-CZ2 3.7Å; Y241-W296 AromaticContact CE1-CH2 3.17Å; Y241-W296 HydrophobicContact CE1-CH2 3.17Å; Y241-W296 AromaticContact CE1-CZ2 3.29Å; Y241-W296 HydrophobicContact CE1-CZ2 3.29Å; Y241-W296 HydrophobicContact CE1-CZ3 4.42Å; Y241-W296 HydrophobicContact CE2-CH2 4.45Å; Y241-W296 HydrophobicContact CG-CH2 4.32Å; Y241-W296 AromaticContact CZ-CH2 3.64Å
242G96.1Very high94.3Very high0 Ų033.6 Ų33.60%016%0.16CC..EExtended strand (participates in β ladder)trans-155.6169.317700000114.3D221 D285 V286 L287D221-G242 CarbonylContact O-C 3.16Å; D221-G242 WeakPolarHBondContact O-CA 3.28Å; G242-D285 PolarHBondContact N-O 3.29Å; G242-D285 VanDerWaalsContact N-O 3.15Å; G242-V286 VanDerWaalsContact O-CA 3.3Å; G242-V286 WeakPolarHBondContact O-CA 3.18Å; G242-L287 PolarHBondContact O-N 3.01Å
243T95.6Very high93.7Very high4 Ų437.4 Ų37.43%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-133148.8170.757.10000111F220 D221 P222 F223 V224 L287F220-T243 HydrophobicContact CE2-CG2 3.96Å; F220-T243 HydrophobicContact CZ-CG2 3.91Å; D221-T243 PolarHBondContact O-N 3.18Å; P222-T243 CarbonylContact C-O 3.59Å; P222-T243 WeakPolarHBondContact CA-OG1 3.16Å; P222-T243 PolarHBondContact O-OG1 3.46Å; P222-T243 VanDerWaalsContact O-OG1 3.05Å; F223-T243 PolarHBondContact N-O 2.9Å; V224-T243 WeakPolarHBondContact CG1-O 3Å; V224-T243 PolarHBondContact N-O 3.12Å; T243-L287 VanDerWaalsContact CA-O 3.26Å; T243-L287 WeakPolarHBondContact CA-O 3.42Å; T243-L287 HydrophobicContact CG2-CB 4.31Å
244D93.4Very high93Very high24 Ų2438.9 Ų38.913%0.12819%0.194CC..EExtended strand (participates in β ladder)trans-138.2151.4163.4-148-72.1000110V224 G225 D246 V250 L287 V288 S289V224-D244 HydrophobicContact CG1-CB 3.91Å; G225-D244 VanDerWaalsContact CA-OD2 3.24Å; G225-D244 WeakPolarHBondContact CA-OD2 3.42Å; G225-D244 PolarHBondContact N-OD2 3.18Å; D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact OD1-N 3.4Å; D244-V250 HydrophobicContact CB-CG2 3.6Å; D244-L287 PolarHBondContact N-O 2.85Å; D244-L287 VanDerWaalsContact N-O 3.08Å; D244-V288 CarbonylContact O-C 3.59Å; D244-V288 VanDerWaalsContact O-CA 3.24Å; D244-V288 WeakPolarHBondContact O-CA 3.46Å; D244-S289 CarbonylContact C-O 3.5Å; D244-S289 VanDerWaalsContact C-O 3.22Å; D244-S289 PolarHBondContact O-N 3.37Å
245I90.5Very high92Very high56 Ų5645.9 Ų45.929%0.28723%0.225SC..SBendtrans-78.6-23.7173.5-169164.8000111.4Y247 S289 D290 R318 T320I245-Y247 PolarHBondContact O-N 2.6Å; I245-S289 PolarHBondContact N-O 3.12Å; I245-D290 HydrophobicContact CD1-CB 4.31Å; I245-R318 HydrophobicContact CD1-CB 4.24Å; I245-T320 HydrophobicContact CD1-CG2 3.95Å; I245-T320 HydrophobicContact CG1-CG2 4.48Å
246D89.1Confident91.2Very high56 Ų5643.9 Ų43.930%0.29922%0.218SC..  trans-83.6103.8-177.9-169.7-74.9000111.9D244 N248 T249 V250D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact OD1-N 3.4Å; D246-N248 VanDerWaalsContact C-N 3.26Å; D246-N248 PolarHBondContact O-N 2.9Å; D246-N248 WeakPolarHBondContact OD1-CA 3.38Å; D246-N248 WeakPolarHBondContact OD1-CB 3.35Å; D246-N248 PolarHBondContact OD1-N 2.98Å; D246-T249 PolarHBondContact O-N 2.81Å; D246-T249 WeakPolarHBondContact OD1-CB 3.4Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.67Å; D246-V250 PolarHBondContact O-N 3.29Å; D246-V250 VanDerWaalsContact O-N 3.14Å
247Y89.6Confident90.3Very high129 Ų12945.1 Ų45.151%0.50623%0.228SC..Hα-helixtrans-52.4-41.3176.7179-88.4000113I245 T249 H251 L253 V288I245-Y247 PolarHBondContact O-N 2.6Å; Y247-T249 PolarHBondContact O-N 2.88Å; Y247-H251 AromaticContact CD1-CD2 4Å; Y247-H251 AromaticContact CD2-CD2 3.52Å; Y247-H251 AromaticContact CD2-NE2 3.77Å; Y247-H251 AromaticContact CE1-CD2 3.79Å; Y247-H251 AromaticContact CE2-CD2 3.27Å; Y247-H251 WeakPolarHBondContact CE2-CD2 3.4Å; Y247-H251 AromaticContact CE2-NE2 3.38Å; Y247-H251 WeakPolarHBondContact CE2-NE2 3.23Å; Y247-H251 AromaticContact CG-CD2 3.86Å; Y247-H251 AromaticContact CZ-CD2 3.41Å; Y247-H251 VanDerWaalsContact CZ-CD2 3.41Å; Y247-H251 AromaticContact CZ-NE2 3.88Å; Y247-H251 WeakPolarHBondContact O-CB 3.36Å; Y247-H251 PolarHBondContact O-CD2 3.3Å; Y247-H251 PolarHBondContact O-N 2.89Å; Y247-H251 VanDerWaalsContact O-N 3.11Å; Y247-L253 HydrophobicContact CD1-CD1 4.34Å; Y247-L253 HydrophobicContact CE1-CD1 3.71Å; Y247-V288 HydrophobicContact CD2-CG2 4.02Å
248N88.9Confident89.5Confident80 Ų8049.3 Ų49.343%0.42824%0.242SC..Hα-helixtrans-69.8-37.7-176.1-63-47000111.1D246 H251 G252 L253D246-N248 VanDerWaalsContact C-N 3.26Å; D246-N248 PolarHBondContact O-N 2.9Å; D246-N248 WeakPolarHBondContact OD1-CA 3.38Å; D246-N248 WeakPolarHBondContact OD1-CB 3.35Å; D246-N248 PolarHBondContact OD1-N 2.98Å; N248-H251 CarbonylContact O-C 3.58Å; N248-G252 CarbonylContact O-C 3.51Å; N248-G252 WeakPolarHBondContact O-CA 3.34Å; N248-G252 PolarHBondContact O-N 2.98Å; N248-L253 HydrophobicContact CB-CB 4.23Å; N248-L253 PolarHBondContact O-N 3.27Å
249T88.8Confident88.2Confident35 Ų3558.5 Ų58.522%0.21528%0.282CS..Hα-helixtrans-66.9-47.8179.1-60.80000110.8F193 G225 D246 Y247 H251 G252F193-T249 HydrophobicContact CZ-CG2 4.39Å; F193-T249 VanDerWaalsContact CZ-O 3.25Å; F193-T249 WeakPolarHBondContact CZ-O 3.28Å; G225-T249 VanDerWaalsContact O-CG2 3.26Å; G225-T249 WeakPolarHBondContact O-CG2 3.24Å; D246-T249 PolarHBondContact O-N 2.81Å; D246-T249 WeakPolarHBondContact OD1-CB 3.4Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.67Å; Y247-T249 PolarHBondContact O-N 2.88Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.13Å; T249-G252 PolarHBondContact O-N 2.74Å
250V90.7Very high87.2Confident12 Ų1262.2 Ų62.27%0.07331%0.308CS..Hα-helixtrans-58.6-43.6177.3173.30000111.4D244 D246 V286 V288D244-V250 HydrophobicContact CB-CG2 3.6Å; D246-V250 PolarHBondContact O-N 3.29Å; D246-V250 VanDerWaalsContact O-N 3.14Å; V250-V286 HydrophobicContact CB-CG1 4.45Å; V250-V286 HydrophobicContact CG1-CG1 3.92Å; V250-V286 HydrophobicContact CG2-CG1 3.94Å; V250-V288 HydrophobicContact CB-CG2 3.83Å; V250-V288 HydrophobicContact CG1-CG2 3.9Å; V250-V288 HydrophobicContact CG2-CG2 3.98Å
251H88.9Confident86.1Confident91 Ų9165.3 Ų65.342%0.42132%0.322SS..THydrogen-bonded Turntrans-905.3-177.9-65.4-62.3000114.6Y247 N248 T249 L253Y247-H251 AromaticContact CD1-CD2 4Å; Y247-H251 AromaticContact CD2-CD2 3.52Å; Y247-H251 AromaticContact CD2-NE2 3.77Å; Y247-H251 AromaticContact CE1-CD2 3.79Å; Y247-H251 AromaticContact CE2-CD2 3.27Å; Y247-H251 WeakPolarHBondContact CE2-CD2 3.4Å; Y247-H251 AromaticContact CE2-NE2 3.38Å; Y247-H251 WeakPolarHBondContact CE2-NE2 3.23Å; Y247-H251 AromaticContact CG-CD2 3.86Å; Y247-H251 AromaticContact CZ-CD2 3.41Å; Y247-H251 VanDerWaalsContact CZ-CD2 3.41Å; Y247-H251 AromaticContact CZ-NE2 3.88Å; Y247-H251 WeakPolarHBondContact O-CB 3.36Å; Y247-H251 PolarHBondContact O-CD2 3.3Å; Y247-H251 PolarHBondContact O-N 2.89Å; Y247-H251 VanDerWaalsContact O-N 3.11Å; N248-H251 CarbonylContact O-C 3.58Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.13Å; H251-L253 HydrophobicContact CB-CD1 4Å; H251-L253 HydrophobicContact CB-CG 3.9Å; H251-L253 PolarHBondContact O-N 2.85Å
252G87.4Confident85.3Confident5 Ų570.7 Ų70.75%0.05235%0.347CS..THydrogen-bonded Turntrans62.628.3179.700000114.1N248 T249 R264 E268N248-G252 CarbonylContact O-C 3.51Å; N248-G252 WeakPolarHBondContact O-CA 3.34Å; N248-G252 PolarHBondContact O-N 2.98Å; T249-G252 PolarHBondContact O-N 2.74Å; G252-R264 VanDerWaalsContact O-CB 3.3Å; G252-R264 WeakPolarHBondContact O-CB 3.31Å; G252-R264 WeakPolarHBondContact O-CD 3.43Å; G252-E268 VanDerWaalsContact CA-O 3.3Å; G252-E268 WeakPolarHBondContact CA-O 3.45Å
253L85.5Confident84.5Confident83 Ų8378 Ų7844%0.43537%0.374SS..  trans-91.7157.5-177.6-59.1177.4000112.1Y247 N248 H251Y247-L253 HydrophobicContact CD1-CD1 4.34Å; Y247-L253 HydrophobicContact CE1-CD1 3.71Å; N248-L253 HydrophobicContact CB-CB 4.23Å; N248-L253 PolarHBondContact O-N 3.27Å; H251-L253 HydrophobicContact CB-CD1 4Å; H251-L253 HydrophobicContact CB-CG 3.9Å; H251-L253 PolarHBondContact O-N 2.85Å
254G83.1Confident84Confident30 Ų3079.7 Ų79.731%0.30938%0.38SS..SBendtrans96.3-159.3171.500000114.5W263 R264G254-W263 VanDerWaalsContact C-CE3 3.47Å; G254-R264 WeakPolarHBondContact O-CG 3.42Å; G254-R264 PolarHBondContact O-N 2.84Å
255K78.9Confident83.5Confident148 Ų14879.9 Ų79.964%0.64339%0.388SS*.  trans-72.4138.9-174.6-67.5-176.4179.3174.30110.6K262 W263 R264K255-K262 VanDerWaalsContact CA-O 3.32Å; K255-K262 WeakPolarHBondContact CA-O 3.13Å; K255-K262 WeakPolarHBondContact CB-O 3.35Å; K255-K262 WeakPolarHBondContact CG-O 3.3Å; K255-W263 HydrophobicContact CG-CE3 4.28Å; K255-W263 HydrophobicContact CG-CH2 4.41Å; K255-W263 HydrophobicContact CG-CZ3 4.11Å; K255-R264 PolarHBondContact O-NE 3.26Å
256A80.7Confident83.1Confident13 Ų1384.1 Ų84.111%0.10742%0.419CS..  trans-73.6143.6172.400000110.1R258 Q261 R264A256-R258 VanDerWaalsContact C-N 3.26Å; A256-Q261 HydrophobicContact CB-CB 3.78Å; A256-Q261 HydrophobicContact CB-CG 3.58Å; A256-R264 HydrophobicContact CB-CG 4.18Å
257T80.4Confident83Confident53 Ų5384.8 Ų84.833%0.32542%0.423SS..SBendtrans-75.2-17.4173.9-60.30000112N196N196-T257 WeakPolarHBondContact OD1-CG2 3.23Å; N196-T257 PolarHBondContact OD1-OG1 3.45Å; N196-T257 VanDerWaalsContact OD1-OG1 3.08Å
258R81.3Confident83.1Confident92 Ų9279 Ų7935%0.34740%0.4SS..SBendtrans-71134.9-176-69.8177.3172.9-122.4-1.2111.9R191 I194 A256 N260 Q261R191-R258 PolarHBondContact O-NH2 2.92Å; I194-R258 HydrophobicContact CD1-CG 3.88Å; I194-R258 HydrophobicContact CG1-CG 4.34Å; A256-R258 VanDerWaalsContact C-N 3.26Å; R258-N260 PolarHBondContact O-N 2.87Å; R258-Q261 HydrophobicContact CB-CB 4.19Å; R258-Q261 PolarHBondContact O-N 3.44Å; R258-Q261 VanDerWaalsContact O-N 3.11Å
259K70.4Confident83.2Confident194 Ų19476.8 Ų76.884%0.84339%0.388SS*.THydrogen-bonded Turntrans-58.8124172.1-167.3177.3-179-178.70108.3
260N77.2Confident83.5Confident161 Ų16175.1 Ų75.186%0.86138%0.378SS*.THydrogen-bonded Turntrans83.96.2-177.5-45.2-29.9000116.9R258R258-N260 PolarHBondContact O-N 2.87Å
261Q77.1Confident83.8Confident66 Ų6679.6 Ų79.631%0.30839%0.394SS..  trans-115.7120.6171.9-169-177.4-19.100109.4A256 R258 W263 E268A256-Q261 HydrophobicContact CB-CB 3.78Å; A256-Q261 HydrophobicContact CB-CG 3.58Å; R258-Q261 HydrophobicContact CB-CB 4.19Å; R258-Q261 PolarHBondContact O-N 3.44Å; R258-Q261 VanDerWaalsContact O-N 3.11Å; Q261-W263 VanDerWaalsContact CG-O 3.3Å; Q261-W263 WeakPolarHBondContact CG-O 3.36Å; Q261-W263 PolarHBondContact NE2-O 3.34Å; Q261-E268 PolarHBondContact NE2-OE2 3.25Å
262K77Confident84.1Confident153 Ų15375.4 Ų75.467%0.66538%0.375SS*.  trans-82-36.9-176.1-165175.5-178.5178.50112.4K255K255-K262 VanDerWaalsContact CA-O 3.32Å; K255-K262 WeakPolarHBondContact CA-O 3.13Å; K255-K262 WeakPolarHBondContact CB-O 3.35Å; K255-K262 WeakPolarHBondContact CG-O 3.3Å
263W80.1Confident84.4Confident153 Ų15375.2 Ų75.258%0.5837%0.372SS*.SBendtrans-135.6148.6-175.3-63107000110.7G254 K255 Q261G254-W263 VanDerWaalsContact C-CE3 3.47Å; K255-W263 HydrophobicContact CG-CE3 4.28Å; K255-W263 HydrophobicContact CG-CH2 4.41Å; K255-W263 HydrophobicContact CG-CZ3 4.11Å; Q261-W263 VanDerWaalsContact CG-O 3.3Å; Q261-W263 WeakPolarHBondContact CG-O 3.36Å; Q261-W263 PolarHBondContact NE2-O 3.34Å
264R84.4Confident85Confident40 Ų4071.2 Ų71.215%0.15135%0.352CS..  trans-65.8147.2176.6-68.6-175.1-175-81.210.3111.6I194 G252 G254 K255 A256 E268I194-R264 VanDerWaalsContact O-CZ 3.32Å; I194-R264 PolarHBondContact O-NH1 2.88Å; I194-R264 PolarHBondContact O-NH2 3.39Å; G252-R264 VanDerWaalsContact O-CB 3.3Å; G252-R264 WeakPolarHBondContact O-CB 3.31Å; G252-R264 WeakPolarHBondContact O-CD 3.43Å; G254-R264 WeakPolarHBondContact O-CG 3.42Å; G254-R264 PolarHBondContact O-N 2.84Å; K255-R264 PolarHBondContact O-NE 3.26Å; A256-R264 HydrophobicContact CB-CG 4.18Å; R264-E268 VanDerWaalsContact CA-OE2 3.29Å; R264-E268 WeakPolarHBondContact CA-OE2 3.09Å; R264-E268 HydrophobicContact CB-CB 4.18Å; R264-E268 IonicContact CZ-OE1 2.59Å; R264-E268 IonicContact NH1-OE1 3.61Å; R264-E268 PolarHBondContact NH1-OE1 3.03Å
265G84.4Confident85.7Confident28 Ų2874.7 Ų74.729%0.28936%0.355SS..  trans-71.4159.8172.800000112.1D267 E268G265-D267 PolarHBondContact O-N 2.97Å; G265-E268 PolarHBondContact N-OE2 3.44Å; G265-E268 VanDerWaalsContact N-OE2 3.1Å; G265-E268 VanDerWaalsContact O-CB 3.31Å; G265-E268 WeakPolarHBondContact O-CB 3.46Å; G265-E268 PolarHBondContact O-N 2.87Å
266P81.8Confident86.5Confident145 Ų14571.6 Ų71.694%0.94234%0.343SS*.THydrogen-bonded Turntrans-63.8-23.9-17925.4-34.2000114.1
267D87.1Confident87.2Confident70 Ų7072.9 Ų72.937%0.37435%0.346SS..THydrogen-bonded Turntrans-102.311.4175.1-158.735.2000111.9H192 G265 N269 A272 R275H192-D267 PolarHBondContact CD2-O 2.96Å; H192-D267 PolarHBondContact NE2-O 2.84Å; G265-D267 PolarHBondContact O-N 2.97Å; D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 2.95Å; D267-A272 WeakPolarHBondContact O-CB 3.28Å; D267-R275 IonicContact OD1-NH1 3.64Å; D267-R275 PolarHBondContact OD1-NH1 2.96Å; D267-R275 IonicContact OD2-NH1 3.34Å; D267-R275 PolarHBondContact OD2-NH1 3.36Å; D267-R275 VanDerWaalsContact OD2-NH1 3.09Å
268E90.3Very high88.1Confident6 Ų673 Ų733%0.02836%0.358CS..  trans-8771.5-176.4-155.9-166.313100111.2F193 G252 Q261 R264 G265F193-E268 HydrophobicContact CB-CG 4.07Å; F193-E268 HydrophobicContact CD2-CG 3.98Å; F193-E268 WeakPolarHBondContact CD2-O 3.43Å; F193-E268 WeakPolarHBondContact CE2-O 3.4Å; G252-E268 VanDerWaalsContact CA-O 3.3Å; G252-E268 WeakPolarHBondContact CA-O 3.45Å; Q261-E268 PolarHBondContact NE2-OE2 3.25Å; R264-E268 VanDerWaalsContact CA-OE2 3.29Å; R264-E268 WeakPolarHBondContact CA-OE2 3.09Å; R264-E268 HydrophobicContact CB-CB 4.18Å; R264-E268 IonicContact CZ-OE1 2.59Å; R264-E268 IonicContact NH1-OE1 3.61Å; R264-E268 PolarHBondContact NH1-OE1 3.03Å; G265-E268 PolarHBondContact N-OE2 3.44Å; G265-E268 VanDerWaalsContact N-OE2 3.1Å; G265-E268 VanDerWaalsContact O-CB 3.31Å; G265-E268 WeakPolarHBondContact O-CB 3.46Å; G265-E268 PolarHBondContact O-N 2.87Å
269N92.9Very high88.9Confident34 Ų3469.3 Ų69.318%0.18235%0.345CS..SBendtrans-137.2178.7-176.562.359.6000112.8F193 D267 R271 A272 N273F193-N269 WeakPolarHBondContact CB-O 3.47Å; D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 2.95Å; N269-R271 PolarHBondContact O-N 3.16Å; N269-R271 WeakPolarHBondContact OD1-CB 3.16Å; N269-R271 PolarHBondContact OD1-N 3.15Å; N269-A272 PolarHBondContact O-N 3.02Å; N269-A272 PolarHBondContact OD1-N 2.83Å; N269-N273 PolarHBondContact O-N 3.3Å
270I94.9Very high90.2Very high1 Ų163.2 Ų63.21%0.00532%0.319CS..Hα-helixtrans-61.8-44-177.6-57.9170.7000111.6F193 V224 G225 A272 N273 L274 Y283 V286F193-I270 HydrophobicContact CD1-CG1 4.05Å; F193-I270 HydrophobicContact CE1-CG1 3.68Å; V224-I270 HydrophobicContact CG1-CD1 4.15Å; V224-I270 HydrophobicContact CG2-CD1 4.39Å; G225-I270 WeakPolarHBondContact O-CD1 3.28Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 3.07Å; I270-N273 WeakPolarHBondContact O-CB 3.29Å; I270-N273 PolarHBondContact O-N 2.99Å; I270-N273 VanDerWaalsContact O-N 3.13Å; I270-L274 HydrophobicContact CG2-CD1 4.45Å; I270-L274 WeakPolarHBondContact O-CD1 3.3Å; I270-L274 PolarHBondContact O-N 2.72Å; I270-Y283 HydrophobicContact CG2-CE2 4.05Å; I270-V286 HydrophobicContact CD1-CB 4.11Å; I270-V286 HydrophobicContact CD1-CG1 3.81Å; I270-V286 HydrophobicContact CD1-CG2 3.95Å; I270-V286 HydrophobicContact CG2-CG2 4.22Å
271R95.8Very high91.2Very high106 Ų10662.6 Ų62.640%0.431%0.309SS..Hα-helixtrans-60.7-40.6179.8-174.4-179.6-65.1174.10.8111.4N269 N273 L274 R275 E280 Y283 D285N269-R271 PolarHBondContact O-N 3.16Å; N269-R271 WeakPolarHBondContact OD1-CB 3.16Å; N269-R271 PolarHBondContact OD1-N 3.15Å; R271-N273 VanDerWaalsContact C-N 3.3Å; R271-N273 PolarHBondContact O-N 3.36Å; R271-L274 PolarHBondContact O-N 3.31Å; R271-L274 VanDerWaalsContact O-N 3.09Å; R271-R275 PolarHBondContact O-N 2.86Å; R271-E280 WeakPolarHBondContact CD-OE1 3.44Å; R271-E280 HydrophobicContact CG-CG 4.25Å; R271-Y283 HydrophobicContact CB-CD1 4.23Å; R271-Y283 HydrophobicContact CB-CE1 3.99Å; R271-Y283 HydrophobicContact CG-CD1 3.91Å; R271-Y283 HydrophobicContact CG-CE1 4.11Å; R271-Y283 HydrophobicContact CG-CG 4.38Å; R271-D285 IonicContact NH2-OD1 3.07Å
272A94.9Very high92.2Very high3 Ų361 Ų613%0.02530%0.3CS..Hα-helixtrans-65.3-31.5177.500000113.3D267 N269 I270 L274 R275 Q276D267-A272 WeakPolarHBondContact O-CB 3.28Å; N269-A272 PolarHBondContact O-N 3.02Å; N269-A272 PolarHBondContact OD1-N 2.83Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 3.07Å; A272-L274 VanDerWaalsContact C-N 3.3Å; A272-L274 PolarHBondContact O-N 2.79Å; A272-R275 PolarHBondContact O-N 3.34Å; A272-Q276 WeakPolarHBondContact O-CB 3.31Å; A272-Q276 PolarHBondContact O-N 3.05Å
273N95.3Very high93.2Very high0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-59.1-43.6170-80.7-21.2000111.5R191 H192 F193 T226 I231 N269 I270 R271 Q276 Y277R191-N273 WeakPolarHBondContact CG-OD1 3.5Å; H192-N273 PolarHBondContact N-OD1 3.3Å; F193-N273 PolarHBondContact N-OD1 3.05Å; F193-N273 PolarHBondContact O-ND2 3.25Å; F193-N273 PolarHBondContact O-OD1 3.01Å; T226-N273 PolarHBondContact O-ND2 3.41Å; T226-N273 VanDerWaalsContact O-ND2 3.12Å; I231-N273 HydrophobicContact CD1-CB 3.75Å; I231-N273 HydrophobicContact CG1-CB 4.32Å; N269-N273 PolarHBondContact O-N 3.3Å; I270-N273 WeakPolarHBondContact O-CB 3.29Å; I270-N273 PolarHBondContact O-N 2.99Å; I270-N273 VanDerWaalsContact O-N 3.13Å; R271-N273 VanDerWaalsContact C-N 3.3Å; R271-N273 PolarHBondContact O-N 3.36Å; N273-Q276 WeakPolarHBondContact O-CB 3.44Å; N273-Q276 PolarHBondContact O-N 3.13Å; N273-Y277 WeakPolarHBondContact O-CD2 3.21Å
274L97.3Very high94Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-70.4-40.3180-81.358.7000110.5I231 V240 I270 R271 A272 Q276 Y277 G278 L279 Y283I231-L274 HydrophobicContact CG1-CD1 3.53Å; I231-L274 HydrophobicContact CG1-CG 4.45Å; V240-L274 HydrophobicContact CG2-CD2 3.69Å; I270-L274 HydrophobicContact CG2-CD1 4.45Å; I270-L274 WeakPolarHBondContact O-CD1 3.3Å; I270-L274 PolarHBondContact O-N 2.72Å; R271-L274 PolarHBondContact O-N 3.31Å; R271-L274 VanDerWaalsContact O-N 3.09Å; A272-L274 VanDerWaalsContact C-N 3.3Å; A272-L274 PolarHBondContact O-N 2.79Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-Q276 PolarHBondContact O-N 3.27Å; L274-Y277 PolarHBondContact O-N 3.33Å; L274-G278 PolarHBondContact O-N 2.95Å; L274-L279 HydrophobicContact CB-CB 4.28Å; L274-L279 WeakPolarHBondContact O-CA 3.49Å; L274-L279 PolarHBondContact O-N 3.48Å; L274-Y283 HydrophobicContact CD2-CD2 3.42Å; L274-Y283 VanDerWaalsContact CD2-CD2 3.42Å; L274-Y283 HydrophobicContact CD2-CE2 4.45Å; L274-Y283 HydrophobicContact CD2-CG 3.91Å
275R97Very high94.5Very high102 Ų10252.6 Ų52.639%0.38527%0.274SS..Hα-helixtrans-57.1-44.1173.4-173.7-175.3-621453.5112.3D267 R271 A272 Y277 G278 E280D267-R275 IonicContact OD1-NH1 3.64Å; D267-R275 PolarHBondContact OD1-NH1 2.96Å; D267-R275 IonicContact OD2-NH1 3.34Å; D267-R275 PolarHBondContact OD2-NH1 3.36Å; D267-R275 VanDerWaalsContact OD2-NH1 3.09Å; R271-R275 PolarHBondContact O-N 2.86Å; A272-R275 PolarHBondContact O-N 3.34Å; R275-Y277 PolarHBondContact O-N 3.36Å; R275-Y277 VanDerWaalsContact O-N 3.11Å; R275-G278 PolarHBondContact O-N 3.13Å; R275-E280 HydrophobicContact CB-CB 4.21Å; R275-E280 WeakPolarHBondContact CB-OE2 3.48Å; R275-E280 VanDerWaalsContact CG-OE2 3.26Å; R275-E280 WeakPolarHBondContact CG-OE2 3.46Å; R275-E280 IonicContact CZ-OE1 2.69Å; R275-E280 IonicContact CZ-OE2 3.2Å; R275-E280 IonicContact NE-OE1 2.88Å; R275-E280 PolarHBondContact NE-OE1 2.97Å; R275-E280 IonicContact NE-OE2 2.67Å; R275-E280 PolarHBondContact NE-OE2 3.16Å; R275-E280 IonicContact NH2-OE1 2.89Å; R275-E280 PolarHBondContact NH2-OE1 3.34Å; R275-E280 IonicContact NH2-OE2 2.89Å
276Q96.3Very high95Very high84 Ų8451.6 Ų51.639%0.39326%0.262SS..Hα-helixtrans-51.8-36.6178.1175.5-177.1-10.200112.2K190 H192 A272 N273 L274K190-Q276 PolarHBondContact O-NE2 3.45Å; H192-Q276 VanDerWaalsContact CB-OE1 3.26Å; A272-Q276 WeakPolarHBondContact O-CB 3.31Å; A272-Q276 PolarHBondContact O-N 3.05Å; N273-Q276 WeakPolarHBondContact O-CB 3.44Å; N273-Q276 PolarHBondContact O-N 3.13Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-Q276 PolarHBondContact O-N 3.27Å
277Y96.5Very high95.6Very high40 Ų4048.1 Ų48.116%0.15724%0.235CC..THydrogen-bonded Turntrans-997.8-177.9-56.9-65.4000113.6Y186 I231 N273 L274 R275 L279Y186-Y277 AromaticContact CD1-CD1 3.78Å; Y186-Y277 HydrophobicContact CD1-CD1 3.78Å; Y186-Y277 AromaticContact CD1-CD2 3.78Å; Y186-Y277 HydrophobicContact CD1-CD2 3.78Å; Y186-Y277 AromaticContact CD1-CE1 3.75Å; Y186-Y277 HydrophobicContact CD1-CE1 3.75Å; Y186-Y277 AromaticContact CD1-CE2 3.78Å; Y186-Y277 HydrophobicContact CD1-CE2 3.78Å; Y186-Y277 AromaticContact CD1-CG 3.8Å; Y186-Y277 HydrophobicContact CD1-CG 3.8Å; Y186-Y277 AromaticContact CD1-CZ 3.76Å; Y186-Y277 AromaticContact CE1-CD1 3.5Å; Y186-Y277 HydrophobicContact CE1-CD1 3.5Å; Y186-Y277 AromaticContact CE1-CD2 3.59Å; Y186-Y277 HydrophobicContact CE1-CD2 3.59Å; Y186-Y277 AromaticContact CE1-CE1 3.99Å; Y186-Y277 HydrophobicContact CE1-CE1 3.99Å; Y186-Y277 HydrophobicContact CE1-CE2 4.1Å; Y186-Y277 AromaticContact CE1-CG 3.28Å; Y186-Y277 HydrophobicContact CE1-CG 3.28Å; Y186-Y277 HydrophobicContact CG-CE1 4.26Å; Y186-Y277 AromaticContact CZ-CD1 3.97Å; I231-Y277 HydrophobicContact CD1-CE2 4.29Å; I231-Y277 HydrophobicContact CG2-CD2 3.75Å; I231-Y277 HydrophobicContact CG2-CE2 4.06Å; N273-Y277 WeakPolarHBondContact O-CD2 3.21Å; L274-Y277 PolarHBondContact O-N 3.33Å; R275-Y277 PolarHBondContact O-N 3.36Å; R275-Y277 VanDerWaalsContact O-N 3.11Å; Y277-L279 VanDerWaalsContact C-N 3.31Å; Y277-L279 PolarHBondContact O-N 3.36Å
278G97.7Very high95.9Very high56 Ų5647.9 Ų47.958%0.57724%0.236SC*.THydrogen-bonded Turntrans72.221.5-177.600000114.3L274 R275L274-G278 PolarHBondContact O-N 2.95Å; R275-G278 PolarHBondContact O-N 3.13Å
279L98.3Very high96Very high14 Ų1448.3 Ų48.37%0.07324%0.24CC..  trans-106.15.4-173.8-57.3176000113.4Y186 I231 A234 H235 L274 Y277 K281 Y282Y186-L279 HydrophobicContact CE1-CD1 4.25Å; I231-L279 HydrophobicContact CG2-CD1 4.23Å; A234-L279 HydrophobicContact CB-CB 4.2Å; A234-L279 HydrophobicContact CB-CD1 4.18Å; H235-L279 HydrophobicContact CB-CD1 4.2Å; L274-L279 HydrophobicContact CB-CB 4.28Å; L274-L279 WeakPolarHBondContact O-CA 3.49Å; L274-L279 PolarHBondContact O-N 3.48Å; Y277-L279 VanDerWaalsContact C-N 3.31Å; Y277-L279 PolarHBondContact O-N 3.36Å; L279-K281 PolarHBondContact O-N 2.79Å; L279-K281 VanDerWaalsContact O-N 3.13Å; L279-Y282 HydrophobicContact CB-CD2 4.39Å; L279-Y282 HydrophobicContact CD2-CD2 4.16Å; L279-Y282 HydrophobicContact CD2-CE2 4.2Å; L279-Y282 PolarHBondContact O-N 3.49Å
280E97.4Very high95.7Very high66 Ų6647.2 Ų47.231%0.30823%0.234SC..G310 helixtrans-56.7-31.5-176.3-175.3169.1-161.700113.1R271 R275 Y282 Y283R271-E280 WeakPolarHBondContact CD-OE1 3.44Å; R271-E280 HydrophobicContact CG-CG 4.25Å; R275-E280 HydrophobicContact CB-CB 4.21Å; R275-E280 WeakPolarHBondContact CB-OE2 3.48Å; R275-E280 VanDerWaalsContact CG-OE2 3.26Å; R275-E280 WeakPolarHBondContact CG-OE2 3.46Å; R275-E280 IonicContact CZ-OE1 2.69Å; R275-E280 IonicContact CZ-OE2 3.2Å; R275-E280 IonicContact NE-OE1 2.88Å; R275-E280 PolarHBondContact NE-OE1 2.97Å; R275-E280 IonicContact NE-OE2 2.67Å; R275-E280 PolarHBondContact NE-OE2 3.16Å; R275-E280 IonicContact NH2-OE1 2.89Å; R275-E280 PolarHBondContact NH2-OE1 3.34Å; R275-E280 IonicContact NH2-OE2 2.89Å; E280-Y282 PolarHBondContact O-N 2.85Å; E280-Y282 VanDerWaalsContact O-N 3.12Å; E280-Y283 VanDerWaalsContact O-CB 3.27Å; E280-Y283 WeakPolarHBondContact O-CB 3.06Å; E280-Y283 PolarHBondContact O-N 3.26Å
281K98Very high95.4Very high148 Ų14847.9 Ų47.964%0.64324%0.24SC*.G310 helixtrans-60.1-20.5176.164.5177.6178.8168.50114.7L279L279-K281 PolarHBondContact O-N 2.79Å; L279-K281 VanDerWaalsContact O-N 3.13Å
282Y98.6Very high94.7Very high32 Ų3243.9 Ų43.913%0.12523%0.229CC..G310 helixtrans-94.7-7.3177.7-62.5-58.1000112.8A234 A238 Y239 V240 L279 E280 L284A234-Y282 HydrophobicContact CB-CD2 4.31Å; A234-Y282 WeakPolarHBondContact O-CD2 3.42Å; A234-Y282 WeakPolarHBondContact O-CE2 2.83Å; A238-Y282 WeakPolarHBondContact O-CB 3.16Å; Y239-Y282 CarbonylContact C-O 3.59Å; Y239-Y282 WeakPolarHBondContact CA-O 3.41Å; Y239-Y282 HydrophobicContact CD1-CD1 4.37Å; Y239-Y282 HydrophobicContact CE1-CD1 4.26Å; V240-Y282 PolarHBondContact N-O 3.12Å; L279-Y282 HydrophobicContact CB-CD2 4.39Å; L279-Y282 HydrophobicContact CD2-CD2 4.16Å; L279-Y282 HydrophobicContact CD2-CE2 4.2Å; L279-Y282 PolarHBondContact O-N 3.49Å; E280-Y282 PolarHBondContact O-N 2.85Å; E280-Y282 VanDerWaalsContact O-N 3.12Å; Y282-L284 PolarHBondContact O-N 2.94Å
283Y98.3Very high94.1Very high32 Ų3249.2 Ų49.213%0.12525%0.251CS..EExtended strand (participates in β ladder)trans-73.8114177.9-173.3-107.9000110.1I270 R271 L274 E280 V286I270-Y283 HydrophobicContact CG2-CE2 4.05Å; R271-Y283 HydrophobicContact CB-CD1 4.23Å; R271-Y283 HydrophobicContact CB-CE1 3.99Å; R271-Y283 HydrophobicContact CG-CD1 3.91Å; R271-Y283 HydrophobicContact CG-CE1 4.11Å; R271-Y283 HydrophobicContact CG-CG 4.38Å; L274-Y283 HydrophobicContact CD2-CD2 3.42Å; L274-Y283 VanDerWaalsContact CD2-CD2 3.42Å; L274-Y283 HydrophobicContact CD2-CE2 4.45Å; L274-Y283 HydrophobicContact CD2-CG 3.91Å; E280-Y283 VanDerWaalsContact O-CB 3.27Å; E280-Y283 WeakPolarHBondContact O-CB 3.06Å; E280-Y283 PolarHBondContact O-N 3.26Å; Y283-V286 HydrophobicContact CE2-CG2 3.84Å; Y283-V286 PolarHBondContact OH-N 3.07Å; Y283-V286 VanDerWaalsContact OH-N 3.13Å
284L97.1Very high93.2Very high77 Ų7751.9 Ų51.940%0.40327%0.269SS..EExtended strand (participates in β ladder)trans-81.7-73.9171.4-63.3179.7000109.4I218 Y239 V240 Y241 Y282I218-L284 HydrophobicContact CG2-CD1 4.15Å; Y239-L284 HydrophobicContact CD1-CD2 3.89Å; Y239-L284 HydrophobicContact CD1-CG 4.45Å; Y239-L284 HydrophobicContact CG-CD2 4.31Å; V240-L284 WeakPolarHBondContact O-CB 3.33Å; V240-L284 PolarHBondContact O-N 3.35Å; Y241-L284 HydrophobicContact CD2-CB 3.78Å; Y241-L284 HydrophobicContact CD2-CD1 4.49Å; Y282-L284 PolarHBondContact O-N 2.94Å
285D95.2Very high92.3Very high60 Ų6056.9 Ų56.932%0.32130%0.304SS..EExtended strand (participates in β ladder)trans-167.6169.5169.4-142-12.5000112.2Y241 G242 R271Y241-D285 WeakPolarHBondContact CA-O 3.36Å; Y241-D285 HydrophobicContact CD2-CB 4.31Å; Y241-D285 HydrophobicContact CE2-CB 3.91Å; G242-D285 PolarHBondContact N-O 3.29Å; G242-D285 VanDerWaalsContact N-O 3.15Å; R271-D285 IonicContact NH2-OD1 3.07Å
286V95.4Very high91.6Very high7 Ų755.4 Ų55.44%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-126.2125.2164.5172.30000109.6V224 L230 G242 V250 I270 Y283V224-V286 HydrophobicContact CG1-CG1 3.6Å; V224-V286 HydrophobicContact CG1-CG2 4.45Å; V224-V286 HydrophobicContact CG2-CG2 4.17Å; L230-V286 HydrophobicContact CD1-CG2 4.11Å; G242-V286 VanDerWaalsContact O-CA 3.3Å; G242-V286 WeakPolarHBondContact O-CA 3.18Å; V250-V286 HydrophobicContact CB-CG1 4.45Å; V250-V286 HydrophobicContact CG1-CG1 3.92Å; V250-V286 HydrophobicContact CG2-CG1 3.94Å; I270-V286 HydrophobicContact CD1-CB 4.11Å; I270-V286 HydrophobicContact CD1-CG1 3.81Å; I270-V286 HydrophobicContact CD1-CG2 3.95Å; I270-V286 HydrophobicContact CG2-CG2 4.22Å; Y283-V286 HydrophobicContact CE2-CG2 3.84Å; Y283-V286 PolarHBondContact OH-N 3.07Å; Y283-V286 VanDerWaalsContact OH-N 3.13Å
287L93.9Very high91.2Very high72 Ų7261.9 Ų61.938%0.37732%0.319SS..EExtended strand (participates in β ladder)trans-103.3151.1179.9-56.8-173.8000112.7Y241 G242 T243 D244 S289Y241-L287 HydrophobicContact CE1-CD1 4.47Å; Y241-L287 HydrophobicContact CE1-CG 4.35Å; Y241-L287 WeakPolarHBondContact OH-CD1 3.08Å; Y241-L287 VanDerWaalsContact OH-CG 3.24Å; Y241-L287 WeakPolarHBondContact OH-CG 3.37Å; G242-L287 PolarHBondContact O-N 3.01Å; T243-L287 VanDerWaalsContact CA-O 3.26Å; T243-L287 WeakPolarHBondContact CA-O 3.42Å; T243-L287 HydrophobicContact CG2-CB 4.31Å; D244-L287 PolarHBondContact N-O 2.85Å; D244-L287 VanDerWaalsContact N-O 3.08Å; L287-S289 PolarHBondContact O-N 3.23Å
288V92.8Very high90.6Very high65 Ų6566.3 Ų66.339%0.39434%0.339SS..EExtended strand (participates in β ladder)trans-76.7107.8163-1760000108.1D244 Y247 V250D244-V288 CarbonylContact O-C 3.59Å; D244-V288 VanDerWaalsContact O-CA 3.24Å; D244-V288 WeakPolarHBondContact O-CA 3.46Å; Y247-V288 HydrophobicContact CD2-CG2 4.02Å; V250-V288 HydrophobicContact CB-CG2 3.83Å; V250-V288 HydrophobicContact CG1-CG2 3.9Å; V250-V288 HydrophobicContact CG2-CG2 3.98Å
289S91.8Very high90.2Very high16 Ų1665 Ų6511%0.11233%0.325CS..  trans-152.6151.4-178.5-177.50000111.4D244 I245 L287D244-S289 CarbonylContact C-O 3.5Å; D244-S289 VanDerWaalsContact C-O 3.22Å; D244-S289 PolarHBondContact O-N 3.37Å; I245-S289 PolarHBondContact N-O 3.12Å; L287-S289 PolarHBondContact O-N 3.23Å
290D87.7Confident90Very high10 Ų1068.2 Ų68.25%0.05335%0.346CS..  trans-90.3119.9175.4-177.3-9.4000110.4I245 S292 K293 T320I245-D290 HydrophobicContact CD1-CB 4.31Å; D290-S292 PolarHBondContact O-N 3.45Å; D290-S292 WeakPolarHBondContact OD1-CB 3.15Å; D290-S292 PolarHBondContact OD1-N 3.18Å; D290-S292 PolarHBondContact OD1-OG 3.05Å; D290-S292 PolarHBondContact OD2-OG 2.9Å; D290-K293 CarbonylContact O-C 3.55Å; D290-K293 PolarHBondContact O-N 3.07Å; D290-T320 HydrophobicContact CB-CG2 4.08Å; D290-T320 WeakPolarHBondContact OD2-CB 3.38Å; D290-T320 PolarHBondContact OD2-N 3Å; D290-T320 PolarHBondContact OD2-OG1 3.06Å
291A87.5Confident89.7Confident16 Ų1668.7 Ų68.713%0.13235%0.345CS..THydrogen-bonded Turntrans-64.6-23.5178.900000113.3P222 F223 K293 P294P222-A291 HydrophobicContact CB-CB 4.21Å; F223-A291 HydrophobicContact CD1-CB 4.29Å; F223-A291 HydrophobicContact CE1-CB 3.49Å; F223-A291 VanDerWaalsContact CE1-CB 3.49Å; F223-A291 HydrophobicContact CE2-CB 4.15Å; F223-A291 HydrophobicContact CZ-CB 3.4Å; F223-A291 VanDerWaalsContact CZ-CB 3.4Å; A291-K293 PolarHBondContact O-N 3.27Å; A291-P294 WeakPolarHBondContact O-CG 3.5Å
292S81.9Confident89.7Confident22 Ų2261.8 Ų61.815%0.15432%0.315CS..THydrogen-bonded Turntrans-74.9-15.2174.3730000113.2D290 R319 Y344D290-S292 PolarHBondContact O-N 3.45Å; D290-S292 WeakPolarHBondContact OD1-CB 3.15Å; D290-S292 PolarHBondContact OD1-N 3.18Å; D290-S292 PolarHBondContact OD1-OG 3.05Å; D290-S292 PolarHBondContact OD2-OG 2.9Å; S292-R319 WeakPolarHBondContact OG-CB 3.35Å; S292-Y344 WeakPolarHBondContact CA-OH 3.3Å; S292-Y344 VanDerWaalsContact CB-CZ 3.49Å; S292-Y344 VanDerWaalsContact CB-OH 3.31Å; S292-Y344 WeakPolarHBondContact CB-OH 3.44Å
293K82.3Confident89.7Confident114 Ų11462.6 Ų62.650%0.49632%0.321SS..SBendtrans-133.569177.6-66.5175.3-177.1165.30109.2D290 A291 S295 T320D290-K293 CarbonylContact O-C 3.55Å; D290-K293 PolarHBondContact O-N 3.07Å; A291-K293 PolarHBondContact O-N 3.27Å; K293-S295 PolarHBondContact O-N 3.49Å; K293-T320 PolarHBondContact NZ-O 2.59Å
294P75.8Confident89.7Confident57 Ų5761 Ų6137%0.3732%0.315SS..  trans-58.6125.4-174.8-15.626.8000110A291 W296 F356A291-P294 WeakPolarHBondContact O-CG 3.5Å; P294-W296 PolarHBondContact O-N 2.97Å; P294-W296 VanDerWaalsContact O-N 3.07Å; P294-F356 HydrophobicContact CB-CD2 3.67Å; P294-F356 HydrophobicContact CB-CE2 3.69Å; P294-F356 HydrophobicContact CG-CD2 3.68Å; P294-F356 HydrophobicContact CG-CE2 4.23Å
295S79.2Confident89.8Confident105 Ų10557.4 Ų57.473%0.73430%0.296SS*.  trans-80.219.5-178.5-62.90000113.2K293K293-S295 PolarHBondContact O-N 3.49Å
296W82.5Confident90Very high71 Ų7154.6 Ų54.627%0.26928%0.281SS..PPolyproline II helixtrans-88.3144-172.7-62.292000110.7F220 Y241 P294 F302 F356F220-W296 HydrophobicContact CD2-CZ2 4.11Å; F220-W296 AromaticContact CE2-CZ2 3.59Å; F220-W296 HydrophobicContact CE2-CZ2 3.59Å; F220-W296 AromaticContact CZ-CZ2 3.92Å; F220-W296 HydrophobicContact CZ-CZ2 3.92Å; F220-W296 AromaticContact CZ-NE1 3.85Å; Y241-W296 AromaticContact CD1-CH2 3.55Å; Y241-W296 HydrophobicContact CD1-CH2 3.55Å; Y241-W296 AromaticContact CD1-CZ2 3.7Å; Y241-W296 HydrophobicContact CD1-CZ2 3.7Å; Y241-W296 AromaticContact CE1-CH2 3.17Å; Y241-W296 HydrophobicContact CE1-CH2 3.17Å; Y241-W296 AromaticContact CE1-CZ2 3.29Å; Y241-W296 HydrophobicContact CE1-CZ2 3.29Å; Y241-W296 HydrophobicContact CE1-CZ3 4.42Å; Y241-W296 HydrophobicContact CE2-CH2 4.45Å; Y241-W296 HydrophobicContact CG-CH2 4.32Å; Y241-W296 AromaticContact CZ-CH2 3.64Å; P294-W296 PolarHBondContact O-N 2.97Å; P294-W296 VanDerWaalsContact O-N 3.07Å; W296-F302 HydrophobicContact CD2-CZ 4.28Å; W296-F302 HydrophobicContact CE3-CZ 4.13Å; W296-F302 HydrophobicContact CH2-CE1 4.1Å; W296-F302 AromaticContact CH2-CZ 3.58Å; W296-F302 HydrophobicContact CH2-CZ 3.58Å; W296-F302 AromaticContact CZ2-CZ 3.73Å; W296-F302 HydrophobicContact CZ2-CZ 3.73Å; W296-F302 HydrophobicContact CZ3-CE1 4.39Å; W296-F302 AromaticContact CZ3-CZ 3.8Å; W296-F302 HydrophobicContact CZ3-CZ 3.8Å; W296-F356 HydrophobicContact CB-CE2 4.4Å; W296-F356 AromaticContact CD1-CE2 3.39Å; W296-F356 AromaticContact CD1-CZ 3.7Å; W296-F356 AromaticContact CG-CE2 3.96Å; W296-F356 HydrophobicContact CG-CE2 3.96Å; W296-F356 HydrophobicContact CG-CZ 4.26Å; W296-F356 AromaticContact NE1-CE2 3.9Å; W296-F356 AromaticContact NE1-CZ 3.73Å
297R86.4Confident90.1Very high219 Ų21954.2 Ų54.283%0.82628%0.279SS*.PPolyproline II helixtrans-64.1151.9164.1-66-178.8-177.9175.91.1108.4G299 Y301R297-G299 PolarHBondContact O-N 3.41Å; R297-Y301 WeakPolarHBondContact CB-OH 3.45Å; R297-Y301 WeakPolarHBondContact O-CE2 3.16Å; R297-Y301 VanDerWaalsContact O-CZ 3.27Å; R297-Y301 PolarHBondContact O-OH 3.49Å
298K85.5Confident90.2Very high134 Ų13452.6 Ų52.658%0.58327%0.271SS*.SBendtrans-65129.8172.9-61.2-160.3163.2-166.90110.6Y301 E359 N418K298-Y301 VanDerWaalsContact C-OH 3.31Å; K298-Y301 PolarHBondContact O-OH 2.69Å; K298-E359 VanDerWaalsContact CB-OE1 3.28Å; K298-E359 WeakPolarHBondContact CB-OE1 3.49Å; K298-E359 VanDerWaalsContact CD-OE1 3.23Å; K298-E359 WeakPolarHBondContact CD-OE1 3.25Å; K298-E359 WeakPolarHBondContact CG-OE1 3.3Å; K298-N418 PolarHBondContact NZ-OD1 2.98Å
299G89.1Confident90.2Very high27 Ų2749.5 Ų49.528%0.27825%0.252SS..SBendtrans157.1175.6-17900000113.1R297 Y301 T360R297-G299 PolarHBondContact O-N 3.41Å; G299-Y301 VanDerWaalsContact C-CE2 3.44Å; G299-Y301 PolarHBondContact N-OH 2.96Å; G299-Y301 WeakPolarHBondContact O-CD2 3.46Å; G299-Y301 WeakPolarHBondContact O-CE2 3.24Å; G299-T360 WeakPolarHBondContact O-CA 3.47Å
300T92.7Very high90Very high83 Ų8350.1 Ų50.151%0.50926%0.255SS..  trans-101127.8176.753.80000110.6T360 L361T300-T360 CarbonylContact C-O 3.59Å; T300-T360 WeakPolarHBondContact CA-O 3.44Å; T300-L361 WeakPolarHBondContact CG2-O 3.27Å
301Y92.5Very high89.8Confident75 Ų7551.1 Ų51.129%0.29426%0.259SS..  trans-133.8-31.4-171.7-50.9-70.4000113.9R297 K298 G299 T360R297-Y301 WeakPolarHBondContact CB-OH 3.45Å; R297-Y301 WeakPolarHBondContact O-CE2 3.16Å; R297-Y301 VanDerWaalsContact O-CZ 3.27Å; R297-Y301 PolarHBondContact O-OH 3.49Å; K298-Y301 VanDerWaalsContact C-OH 3.31Å; K298-Y301 PolarHBondContact O-OH 2.69Å; G299-Y301 VanDerWaalsContact C-CE2 3.44Å; G299-Y301 PolarHBondContact N-OH 2.96Å; G299-Y301 WeakPolarHBondContact O-CD2 3.46Å; G299-Y301 WeakPolarHBondContact O-CE2 3.24Å; Y301-T360 HydrophobicContact CD2-CG2 4.13Å; Y301-T360 HydrophobicContact CE2-CG2 4.34Å; Y301-T360 PolarHBondContact N-O 3.02Å
302F97.4Very high89Confident4 Ų450.6 Ų50.62%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-113.8136-164.9-50.2-58.7000111.6I218 F220 W296 I305 F356 T360 L361 V362I218-F302 HydrophobicContact CG2-CD1 3.79Å; I218-F302 HydrophobicContact CG2-CE1 4.24Å; F220-F302 HydrophobicContact CB-CB 4.4Å; F220-F302 HydrophobicContact CB-CD1 3.59Å; F220-F302 HydrophobicContact CB-CD2 3.93Å; F220-F302 HydrophobicContact CB-CE1 3.72Å; F220-F302 HydrophobicContact CB-CE2 4.07Å; F220-F302 HydrophobicContact CB-CG 3.69Å; F220-F302 HydrophobicContact CB-CZ 3.96Å; F220-F302 HydrophobicContact CD1-CD2 4.32Å; F220-F302 AromaticContact CD1-CE2 3.98Å; F220-F302 HydrophobicContact CD1-CE2 3.98Å; F220-F302 HydrophobicContact CD1-CZ 4.24Å; F220-F302 HydrophobicContact CD2-CE1 4.2Å; F220-F302 HydrophobicContact CD2-CZ 4.04Å; F220-F302 HydrophobicContact CG-CD1 4.34Å; F220-F302 HydrophobicContact CG-CD2 4.26Å; F220-F302 HydrophobicContact CG-CE1 4.01Å; F220-F302 AromaticContact CG-CE2 3.95Å; F220-F302 HydrophobicContact CG-CE2 3.95Å; F220-F302 HydrophobicContact CG-CG 4.45Å; F220-F302 AromaticContact CG-CZ 3.8Å; F220-F302 HydrophobicContact CG-CZ 3.8Å; W296-F302 HydrophobicContact CD2-CZ 4.28Å; W296-F302 HydrophobicContact CE3-CZ 4.13Å; W296-F302 HydrophobicContact CH2-CE1 4.1Å; W296-F302 AromaticContact CH2-CZ 3.58Å; W296-F302 HydrophobicContact CH2-CZ 3.58Å; W296-F302 AromaticContact CZ2-CZ 3.73Å; W296-F302 HydrophobicContact CZ2-CZ 3.73Å; W296-F302 HydrophobicContact CZ3-CE1 4.39Å; W296-F302 AromaticContact CZ3-CZ 3.8Å; W296-F302 HydrophobicContact CZ3-CZ 3.8Å; F302-I305 HydrophobicContact CB-CG1 4.3Å; F302-I305 HydrophobicContact CD2-CD1 4.38Å; F302-I305 HydrophobicContact CD2-CG1 4.33Å; F302-F356 HydrophobicContact CD2-CE1 4.43Å; F302-F356 HydrophobicContact CE2-CE1 4.06Å; F302-F356 AromaticContact CE2-CZ 3.76Å; F302-F356 HydrophobicContact CE2-CZ 3.76Å; F302-T360 HydrophobicContact CE2-CG2 4.5Å; F302-T360 PolarHBondContact N-O 3.03Å; F302-L361 HydrophobicContact CB-CD2 4.33Å; F302-L361 CarbonylContact O-C 3.6Å; F302-L361 WeakPolarHBondContact O-CA 3.38Å; F302-V362 PolarHBondContact O-N 3.1Å
303D98.6Very high88.3Confident48 Ų4851.1 Ų51.126%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-77.6-34173.1-62.3-74.9000110.9D217 I218 G365 R366D217-D303 WeakPolarHBondContact CA-OD2 3.36Å; D217-D303 HydrophobicContact CB-CB 3.73Å; I218-D303 PolarHBondContact N-OD2 3.44Å; I218-D303 PolarHBondContact O-N 3.4Å; D303-G365 WeakPolarHBondContact O-CA 3.19Å; D303-R366 PolarHBondContact O-N 3.32Å
304A98.7Very high87.2Confident0 Ų054.5 Ų54.50%027%0.265CS..EExtended strand (participates in β ladder)trans-146.3150.1171.700000112.4V213 V219 F220 I306 R366V213-A304 HydrophobicContact CG2-CB 4.1Å; V219-A304 WeakPolarHBondContact CA-O 3.48Å; V219-A304 HydrophobicContact CG2-CB 4.29Å; F220-A304 PolarHBondContact N-O 3.09Å; A304-I306 HydrophobicContact CB-CD1 4.49Å; A304-I306 HydrophobicContact CB-CG1 4.32Å; A304-R366 VanDerWaalsContact CA-O 3.32Å; A304-R366 WeakPolarHBondContact CA-O 3.45Å
305I98.7Very high86.7Confident0 Ų055.4 Ų55.40%027%0.265CS..EExtended strand (participates in β ladder)trans-117122.3168.7-64.6167.9000107.1F220 P222 F302 L353 F356 A357 L361 R366 L367 V368F220-I305 HydrophobicContact CB-CG1 4.31Å; F220-I305 HydrophobicContact CD1-CG1 4.4Å; F220-I305 CarbonylContact O-C 3.58Å; F220-I305 VanDerWaalsContact O-CA 3.28Å; F220-I305 WeakPolarHBondContact O-CA 3.12Å; P222-I305 HydrophobicContact CG-CG2 4.32Å; F302-I305 HydrophobicContact CB-CG1 4.3Å; F302-I305 HydrophobicContact CD2-CD1 4.38Å; F302-I305 HydrophobicContact CD2-CG1 4.33Å; I305-L353 HydrophobicContact CG2-CD1 4.44Å; I305-F356 HydrophobicContact CD1-CD1 3.93Å; I305-F356 HydrophobicContact CD1-CE1 3.89Å; I305-A357 HydrophobicContact CD1-CB 3.84Å; I305-L361 HydrophobicContact CB-CD2 4.33Å; I305-L361 HydrophobicContact CD1-CD1 4.34Å; I305-L361 HydrophobicContact CD1-CD2 3.94Å; I305-L361 HydrophobicContact CD1-CG 3.76Å; I305-L361 HydrophobicContact CG1-CD2 3.73Å; I305-L361 HydrophobicContact CG1-CG 4.13Å; I305-R366 PolarHBondContact N-O 2.84Å; I305-L367 HydrophobicContact CB-CD1 3.8Å; I305-L367 HydrophobicContact CG2-CD1 3.54Å; I305-L367 CarbonylContact O-C 3.55Å; I305-L367 WeakPolarHBondContact O-CA 3.35Å; I305-V368 PolarHBondContact O-N 3.23Å
306I98.6Very high85.9Confident1 Ų153 Ų531%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-131.8119.1-175.1-55.8-173.9000108.3M207 A208 V213 V219 F220 D221 L229 A304 V368M207-I306 HydrophobicContact CB-CG2 3.77Å; M207-I306 HydrophobicContact CE-CG2 3.81Å; A208-I306 HydrophobicContact CB-CD1 4.48Å; V213-I306 HydrophobicContact CG2-CD1 3.45Å; V213-I306 VanDerWaalsContact CG2-CD1 3.45Å; V219-I306 HydrophobicContact CG1-CB 4.39Å; V219-I306 HydrophobicContact CG1-CD1 4.21Å; V219-I306 HydrophobicContact CG1-CG1 4.16Å; F220-I306 PolarHBondContact O-N 2.96Å; D221-I306 VanDerWaalsContact CB-O 3.3Å; D221-I306 WeakPolarHBondContact CB-O 3.49Å; L229-I306 HydrophobicContact CB-CG2 4.37Å; L229-I306 HydrophobicContact CD1-CG2 4.32Å; L229-I306 HydrophobicContact CD2-CG2 4.42Å; A304-I306 HydrophobicContact CB-CD1 4.49Å; A304-I306 HydrophobicContact CB-CG1 4.32Å; I306-V368 WeakPolarHBondContact CA-O 2.99Å; I306-V368 HydrophobicContact CG1-CB 4.29Å; I306-V368 HydrophobicContact CG2-CB 4.44Å
307T97.9Very high85.2Confident0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-154.6155.8-169.5-165.30000114.8M207 D221 P222 F223 P309 L353 V368 Y369 W370M207-T307 WeakPolarHBondContact CE-O 3.35Å; D221-T307 WeakPolarHBondContact OD1-CA 3.48Å; D221-T307 WeakPolarHBondContact OD1-CB 3.46Å; D221-T307 PolarHBondContact OD1-OG1 3.11Å; P222-T307 HydrophobicContact CG-CG2 4.1Å; F223-T307 HydrophobicContact CD2-CG2 4.45Å; F223-T307 WeakPolarHBondContact CD2-OG1 3.22Å; T307-P309 HydrophobicContact CG2-CG 4.07Å; T307-L353 HydrophobicContact CG2-CD1 4.11Å; T307-L353 HydrophobicContact CG2-CD2 3.9Å; T307-V368 PolarHBondContact N-O 2.9Å; T307-Y369 VanDerWaalsContact O-CA 3.27Å; T307-Y369 WeakPolarHBondContact O-CA 3.27Å; T307-W370 PolarHBondContact O-N 3.46Å
308D95.7Very high84.3Confident37 Ų3746.1 Ų46.120%0.19822%0.224CC..  trans-123.587.9170.4-171.718.2000109.3M199 L229 Y311 W370 R405M199-D308 HydrophobicContact CE-CB 3.59Å; M199-D308 VanDerWaalsContact CE-CG 3.5Å; M199-D308 WeakPolarHBondContact CE-OD2 3.38Å; L229-D308 HydrophobicContact CD1-CB 4.28Å; D308-Y311 WeakPolarHBondContact OD1-CE1 3.42Å; D308-Y311 VanDerWaalsContact OD1-CZ 3.23Å; D308-Y311 PolarHBondContact OD1-OH 2.81Å; D308-W370 VanDerWaalsContact OD1-CB 3.26Å; D308-W370 WeakPolarHBondContact OD1-CB 3.3Å; D308-R405 IonicContact OD2-NH1 2.88Å; D308-R405 PolarHBondContact OD2-NH1 3.42Å
309P92.9Very high83.6Confident1 Ų143.9 Ų43.91%0.00621%0.213CC..  trans-63.7150.3-175.7-20.933.9000111.9F223 T307 Y311 M349 F350 L353F223-P309 HydrophobicContact CD2-CB 3.77Å; F223-P309 HydrophobicContact CD2-CG 3.81Å; F223-P309 HydrophobicContact CE2-CB 3.84Å; F223-P309 HydrophobicContact CE2-CG 3.94Å; F223-P309 HydrophobicContact CG-CB 4.3Å; F223-P309 HydrophobicContact CZ-CB 4.4Å; T307-P309 HydrophobicContact CG2-CG 4.07Å; P309-Y311 WeakPolarHBondContact O-CD1 3.47Å; P309-Y311 WeakPolarHBondContact O-CE1 3.47Å; P309-Y311 PolarHBondContact O-N 3.25Å; P309-M349 HydrophobicContact CB-CG 4.44Å; P309-M349 HydrophobicContact CB-SD 3.52Å; P309-M349 VanDerWaalsContact CB-SD 3.52Å; P309-F350 HydrophobicContact CB-CE1 4.25Å; P309-F350 HydrophobicContact CB-CZ 4.16Å; P309-F350 HydrophobicContact CG-CD1 4.5Å; P309-F350 HydrophobicContact CG-CE1 3.77Å; P309-F350 HydrophobicContact CG-CZ 4.16Å; P309-L353 HydrophobicContact CG-CD2 4.04Å
310P88.3Confident82.2Confident28 Ų2844.1 Ų44.118%0.18221%0.208CC..  trans-67131.5-177.524.7-31.4000111.9F223 G312 E315 T317 L346 M349F223-P310 HydrophobicContact CD1-CG 4.41Å; P310-G312 VanDerWaalsContact C-N 3.31Å; P310-G312 PolarHBondContact O-N 3.25Å; P310-E315 HydrophobicContact CB-CB 3.88Å; P310-T317 HydrophobicContact CB-CG2 4.4Å; P310-T317 HydrophobicContact CG-CG2 4.39Å; P310-T317 WeakPolarHBondContact O-CG2 3.47Å; P310-L346 WeakPolarHBondContact O-CD2 3.46Å; P310-M349 HydrophobicContact CG-CE 3.83Å; P310-M349 HydrophobicContact CG-SD 4.26Å
311Y83.5Confident80.4Confident31 Ų3141 Ų4112%0.12219%0.193CC..  trans-86.21.2-178.2-50.1-21.6000114.3D308 P309 I313 W370 P372 R405D308-Y311 WeakPolarHBondContact OD1-CE1 3.42Å; D308-Y311 VanDerWaalsContact OD1-CZ 3.23Å; D308-Y311 PolarHBondContact OD1-OH 2.81Å; P309-Y311 WeakPolarHBondContact O-CD1 3.47Å; P309-Y311 WeakPolarHBondContact O-CE1 3.47Å; P309-Y311 PolarHBondContact O-N 3.25Å; Y311-I313 VanDerWaalsContact C-N 3.31Å; Y311-I313 PolarHBondContact O-N 3.26Å; Y311-W370 HydrophobicContact CE1-CB 4.36Å; Y311-W370 WeakPolarHBondContact OH-CB 3.3Å; Y311-P372 HydrophobicContact CD1-CB 3.86Å; Y311-P372 HydrophobicContact CD1-CG 3.52Å; Y311-P372 HydrophobicContact CD2-CB 3.92Å; Y311-P372 HydrophobicContact CD2-CG 4.47Å; Y311-P372 HydrophobicContact CE1-CB 4.31Å; Y311-P372 HydrophobicContact CE1-CG 4.13Å; Y311-P372 HydrophobicContact CE2-CB 4.32Å; Y311-P372 HydrophobicContact CG-CB 3.7Å; Y311-P372 HydrophobicContact CG-CG 3.77Å; Y311-R405 WeakPolarHBondContact OH-CD 3.44Å; Y311-R405 PolarHBondContact OH-NH1 3.26Å
312G71.8Confident78.2Confident6 Ų640.1 Ų40.16%0.06220%0.198CC..SBendtrans69.525.7-176.100000113.2P310 E315 R440P310-G312 VanDerWaalsContact C-N 3.31Å; P310-G312 PolarHBondContact O-N 3.25Å; G312-E315 CarbonylContact C-O 3.57Å; G312-E315 WeakPolarHBondContact CA-O 3.4Å; G312-E315 PolarHBondContact N-O 3.28Å; G312-R440 WeakPolarHBondContact O-CD 3.3Å; G312-R440 VanDerWaalsContact O-CG 3.27Å; G312-R440 WeakPolarHBondContact O-CG 3.31Å; G312-R440 PolarHBondContact O-NH1 3.42Å
313I65.3Low75.7Confident32 Ų3248.6 Ų48.616%0.16424%0.238CC..SBendtrans-104.5-66.2174.4-62.8168.7000110Y311 F439 R440 Y443 F444Y311-I313 VanDerWaalsContact C-N 3.31Å; Y311-I313 PolarHBondContact O-N 3.26Å; I313-F439 HydrophobicContact CD1-CD1 4.37Å; I313-F439 HydrophobicContact CD1-CE1 3.46Å; I313-F439 VanDerWaalsContact CD1-CE1 3.46Å; I313-F439 HydrophobicContact CD1-CZ 4.06Å; I313-F439 HydrophobicContact CG1-CE1 4.19Å; I313-R440 PolarHBondContact O-NH1 3.39Å; I313-Y443 HydrophobicContact CD1-CD1 3.83Å; I313-Y443 HydrophobicContact CD1-CD2 3.33Å; I313-Y443 HydrophobicContact CD1-CE1 4.07Å; I313-Y443 HydrophobicContact CD1-CE2 3.62Å; I313-Y443 HydrophobicContact CD1-CG 3.47Å; I313-Y443 VanDerWaalsContact CD1-CG 3.47Å; I313-Y443 HydrophobicContact CG1-CD1 4.21Å; I313-Y443 HydrophobicContact CG1-CD2 4.47Å; I313-Y443 HydrophobicContact CG1-CG 4.17Å; I313-Y443 HydrophobicContact CG2-CD1 4.14Å; I313-Y443 HydrophobicContact CG2-CE1 3.84Å; I313-F444 HydrophobicContact CG2-CZ 4.09Å
314R60.5Low73Confident185 Ų18554.5 Ų54.570%0.69826%0.261SS*.SBendtrans-92.2-48.9179.4-65.7-177.1-178.7178.42.4111.3T197T197-R314 HydrophobicContact CG2-CB 3.79Å
315E65.7Low70.1Confident77 Ų7763.7 Ų63.736%0.3630%0.304SS..SBendtrans-93.6138169.2-57.9-53149.200109.6T197 P310 G312T197-E315 HydrophobicContact CG2-CG 3.84Å; T197-E315 PolarHBondContact OG1-OE1 2.94Å; T197-E315 VanDerWaalsContact OG1-OE1 3.11Å; P310-E315 HydrophobicContact CB-CB 3.88Å; G312-E315 CarbonylContact C-O 3.57Å; G312-E315 WeakPolarHBondContact CA-O 3.4Å; G312-E315 PolarHBondContact N-O 3.28Å
316S61.4Low67.6Low54 Ų5469.4 Ų69.438%0.37833%0.333SS..  trans-77.2134.8176.549.30000111R318S316-R318 PolarHBondContact O-N 3.29Å; S316-R318 PolarHBondContact OG-NE 2.91Å; S316-R318 PolarHBondContact OG-NH2 3.35Å
317T68.9Low64.7Low23 Ų2373.9 Ų73.914%0.14136%0.363CS..  trans-75.1110.717055.80000109.6P310 Y344 L346 M349P310-T317 HydrophobicContact CB-CG2 4.4Å; P310-T317 HydrophobicContact CG-CG2 4.39Å; P310-T317 WeakPolarHBondContact O-CG2 3.47Å; T317-Y344 WeakPolarHBondContact CB-O 3.02Å; T317-Y344 PolarHBondContact O-N 3Å; T317-Y344 VanDerWaalsContact O-N 3.15Å; T317-Y344 PolarHBondContact OG1-O 2.81Å; T317-L346 HydrophobicContact CG2-CD2 4.07Å; T317-M349 HydrophobicContact CG2-CE 3.64Å
318R66.6Low61.9Low122 Ų12284.4 Ų84.446%0.4641%0.408SS..EExtended strand (participates in β ladder)trans-125.5145.6-175.7-66.6-177.4-170-177.115110.9I245 S316 L342 Y344I245-R318 HydrophobicContact CD1-CB 4.24Å; S316-R318 PolarHBondContact O-N 3.29Å; S316-R318 PolarHBondContact OG-NE 2.91Å; S316-R318 PolarHBondContact OG-NH2 3.35Å; R318-L342 WeakPolarHBondContact CA-O 3.26Å; R318-Y344 WeakPolarHBondContact O-CD1 3.24Å
319R70.6Confident59.4Low88 Ų8886.1 Ų86.133%0.33243%0.434SS..EExtended strand (participates in β ladder)trans-131.4148.9163.762.7-179.9-175.4-179.11.1109.3S292 S341 L342 S343 Y344S292-R319 WeakPolarHBondContact OG-CB 3.35Å; R319-S341 CarbonylContact O-C 3.56Å; R319-S341 WeakPolarHBondContact O-CA 3.33Å; R319-L342 HydrophobicContact CG-CB 4.17Å; R319-L342 PolarHBondContact N-O 2.66Å; R319-L342 PolarHBondContact O-N 3.24Å; R319-S343 PolarHBondContact NE-O 3.06Å; R319-Y344 HydrophobicContact CB-CD1 4.32Å; R319-Y344 HydrophobicContact CB-CG 4.13Å; R319-Y344 HydrophobicContact CG-CG 4.48Å
320T59.2Low56.9Low31 Ų3192.2 Ų92.219%0.1947%0.466CS..EExtended strand (participates in β ladder)trans-70.3133.7173.261.20000110I245 D290 K293 P339I245-T320 HydrophobicContact CD1-CG2 3.95Å; I245-T320 HydrophobicContact CG1-CG2 4.48Å; D290-T320 HydrophobicContact CB-CG2 4.08Å; D290-T320 WeakPolarHBondContact OD2-CB 3.38Å; D290-T320 PolarHBondContact OD2-N 3Å; D290-T320 PolarHBondContact OD2-OG1 3.06Å; K293-T320 PolarHBondContact NZ-O 2.59Å; T320-P339 HydrophobicContact CG2-CB 3.95Å; T320-P339 HydrophobicContact CG2-CG 4.31Å
321G55.8Low55Low19 Ų19100.2 Ų100.220%0.19650%0.5CS..  trans-167.9176.6175.800000111.7V340G321-V340 PolarHBondContact N-O 3.31Å; G321-V340 CarbonylContact O-C 3.57Å; G321-V340 WeakPolarHBondContact O-CB 3.26Å
322S46Very low53Low56 Ų56107.5 Ų107.539%0.39253%0.533SS..  trans-126.5136.7171.1170.30000106.8K324S322-K324 VanDerWaalsContact CB-O 3.26Å; S322-K324 WeakPolarHBondContact CB-O 3.35Å; S322-K324 PolarHBondContact O-N 2.75Å; S322-K324 PolarHBondContact OG-N 3.48Å; S322-K324 PolarHBondContact OG-O 3.49Å
323Q44.3Very low51.7Low182 Ų182111.9 Ų111.985%0.8556%0.561SS**SBendtrans-65.8-14.1171.7-84.5-177.9-9.200112.4L342Q323-L342 HydrophobicContact CG-CD2 4.07Å
324K42.7Very low50.7Low172 Ų172114.3 Ų114.375%0.74858%0.579SS**SBendtrans-111131.3174.4-65.2-178.2177.8-178.60109.1S322 I326S322-K324 VanDerWaalsContact CB-O 3.26Å; S322-K324 WeakPolarHBondContact CB-O 3.35Å; S322-K324 PolarHBondContact O-N 2.75Å; S322-K324 PolarHBondContact OG-N 3.48Å; S322-K324 PolarHBondContact OG-O 3.49Å; K324-I326 PolarHBondContact O-N 3.21Å
325E38.4Very low50.1Low193 Ų193110.2 Ų110.290%0.90259%0.594SS**PPolyproline II helixtrans-51.9116.5165.7-71.3-172.4159.700107.9P327E325-P327 VanDerWaalsContact O-CD 3.27Å; E325-P327 WeakPolarHBondContact O-CD 3.25Å
326I46.2Very low49.2Very low120 Ų120111.5 Ų111.562%0.61561%0.612SS**PPolyproline II helixtrans-75.1117.1172.2-57.4173.4000104.7K324 K328K324-I326 PolarHBondContact O-N 3.21Å; I326-K328 PolarHBondContact O-N 3.49Å
327P38.1Very low48.6Very low95 Ų95113.9 Ų113.962%0.61762%0.617SS**PPolyproline II helixtrans-55.3129.6175.2-21.132.5000108.5E325 G329E325-P327 VanDerWaalsContact O-CD 3.27Å; E325-P327 WeakPolarHBondContact O-CD 3.25Å; P327-G329 PolarHBondContact O-N 3.44Å
328K37.8Very low47.8Very low221 Ų221118.6 Ų118.696%0.96165%0.645SS**THydrogen-bonded Turntrans-51.2113.5175.2-72.2-179.7176.7178.30108.6I326I326-K328 PolarHBondContact O-N 3.49Å
329G43.3Very low47.1Very low72 Ų72115.9 Ų115.974%0.74264%0.643SS**THydrogen-bonded Turntrans140.6-0.5173.500000118.6P327P327-G329 PolarHBondContact O-N 3.44Å
330I41.6Very low46.2Very low130 Ų130115.9 Ų115.967%0.66765%0.653SS**  trans-104.380.8175.2-52.3178.6000109.8K332I330-K332 VanDerWaalsContact C-N 3.25Å; I330-K332 PolarHBondContact O-N 3.24Å
331E46.5Very low46.2Very low195 Ų195116.9 Ų116.991%0.91166%0.662SS**  trans-83.331.4-178.5-105.7-173.5-178.500114.5
332K41.9Very low46.3Very low184 Ų184118.2 Ų118.280%0.866%0.664SS**  trans-13583.3172.3-72-171.4179.8179.10111I330 P334I330-K332 VanDerWaalsContact C-N 3.25Å; I330-K332 PolarHBondContact O-N 3.24Å; K332-P334 WeakPolarHBondContact O-CD 3.47Å
333C45.2Very low47.1Very low98 Ų98119 Ų11966%0.66267%0.67SS**  trans-68.1121.8155.4-690000107.4H337C333-H337 HydrophobicContact CB-CB 4.34Å
334P44.1Very low48.5Very low84 Ų84110.4 Ų110.455%0.54563%0.629SS.*  trans-58.2144.9170.522.9-29.8000108.9K332 S336 H337K332-P334 WeakPolarHBondContact O-CD 3.47Å; P334-S336 PolarHBondContact O-N 3.23Å; P334-H337 HydrophobicContact CG-CB 4.27Å; P334-H337 WeakPolarHBondContact O-CB 3.24Å; P334-H337 PolarHBondContact O-N 3.01Å
335G47.4Very low50.3Low98 Ų98106.5 Ų106.5100%1.0161%0.614SS**THydrogen-bonded Turntrans-590.8-172.100000116.5
336S46.8Very low52.4Low105 Ų10597.8 Ų97.873%0.73457%0.573SS**THydrogen-bonded Turntrans-110.12.2175.365.60000114.3P334 V338P334-S336 PolarHBondContact O-N 3.23Å; S336-V338 PolarHBondContact O-N 3.29Å
337H49.4Very low54.3Low104 Ų10492.2 Ų92.248%0.48155%0.545SS..  trans-82103.5-176.2-174.5-73.5000111.5C333 P334C333-H337 HydrophobicContact CB-CB 4.34Å; P334-H337 HydrophobicContact CG-CB 4.27Å; P334-H337 WeakPolarHBondContact O-CB 3.24Å; P334-H337 PolarHBondContact O-N 3.01Å
338V52.8Low56.5Low121 Ų12189.8 Ų89.873%0.73353%0.527SS*.PPolyproline II helixtrans-79120.8168.3-177.40000108.7S336S336-V338 PolarHBondContact O-N 3.29Å
339P51.1Low58.9Low65 Ų6579.3 Ų79.342%0.42248%0.481SS..PPolyproline II helixtrans-56.7143.4179.2-22.532.2000112.6T320 S341T320-P339 HydrophobicContact CG2-CB 3.95Å; T320-P339 HydrophobicContact CG2-CG 4.31Å; P339-S341 PolarHBondContact O-N 3.01Å
340V52.8Low61.2Low89 Ų8975.9 Ų75.954%0.53945%0.446SS..PPolyproline II helixtrans-64.6134.6176.9-178.80000109.3G321G321-V340 PolarHBondContact N-O 3.31Å; G321-V340 CarbonylContact O-C 3.57Å; G321-V340 WeakPolarHBondContact O-CB 3.26Å
341S58.3Low63.5Low52 Ų5270.8 Ų70.836%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-88.1129.3176.4-60.10000110.7R319 P339R319-S341 CarbonylContact O-C 3.56Å; R319-S341 WeakPolarHBondContact O-CA 3.33Å; P339-S341 PolarHBondContact O-N 3.01Å
342L58Low65.6Low46 Ų4663.8 Ų63.824%0.24139%0.389CS..EExtended strand (participates in β ladder)trans-105162.4170.8-61.6179000110.5R318 R319 Q323 Y344R318-L342 WeakPolarHBondContact CA-O 3.26Å; R319-L342 HydrophobicContact CG-CB 4.17Å; R319-L342 PolarHBondContact N-O 2.66Å; R319-L342 PolarHBondContact O-N 3.24Å; Q323-L342 HydrophobicContact CG-CD2 4.07Å; L342-Y344 PolarHBondContact O-N 3.11Å
343S63.4Low68.1Low74 Ų7455.3 Ų55.352%0.51735%0.352SS..EExtended strand (participates in β ladder)trans-59.7130.9170.7-174.10000110.3R319R319-S343 PolarHBondContact NE-O 3.06Å
344Y73.3Confident70.5Confident1 Ų150.8 Ų50.80%0.00432%0.321CS..  trans-106.7111.7171.4-167.8-172.6000108S292 T317 R318 R319 L342 D348 M349 D352S292-Y344 WeakPolarHBondContact CA-OH 3.3Å; S292-Y344 VanDerWaalsContact CB-CZ 3.49Å; S292-Y344 VanDerWaalsContact CB-OH 3.31Å; S292-Y344 WeakPolarHBondContact CB-OH 3.44Å; T317-Y344 WeakPolarHBondContact CB-O 3.02Å; T317-Y344 PolarHBondContact O-N 3Å; T317-Y344 VanDerWaalsContact O-N 3.15Å; T317-Y344 PolarHBondContact OG1-O 2.81Å; R318-Y344 WeakPolarHBondContact O-CD1 3.24Å; R319-Y344 HydrophobicContact CB-CD1 4.32Å; R319-Y344 HydrophobicContact CB-CG 4.13Å; R319-Y344 HydrophobicContact CG-CG 4.48Å; L342-Y344 PolarHBondContact O-N 3.11Å; Y344-D348 HydrophobicContact CD2-CB 4.1Å; Y344-D348 HydrophobicContact CE2-CB 3.79Å; Y344-M349 HydrophobicContact CD1-CB 4.12Å; Y344-M349 HydrophobicContact CD1-CE 3.45Å; Y344-M349 VanDerWaalsContact CD1-CE 3.45Å; Y344-M349 HydrophobicContact CD1-CG 4.16Å; Y344-M349 HydrophobicContact CD2-CB 4.18Å; Y344-M349 HydrophobicContact CE1-CB 3.75Å; Y344-M349 HydrophobicContact CE1-CE 3.92Å; Y344-M349 HydrophobicContact CE1-CG 3.67Å; Y344-M349 VanDerWaalsContact CE2-CA 3.48Å; Y344-M349 HydrophobicContact CE2-CB 3.86Å; Y344-M349 HydrophobicContact CG-CB 4.33Å; Y344-M349 HydrophobicContact CG-CE 4Å; Y344-M349 WeakPolarHBondContact OH-CA 3.32Å; Y344-D352 WeakPolarHBondContact CE2-OD2 3.18Å; Y344-D352 VanDerWaalsContact OH-CB 3.28Å; Y344-D352 WeakPolarHBondContact OH-CB 3.14Å; Y344-D352 PolarHBondContact OH-OD2 3.33Å
345H80.6Confident72.9Confident90 Ų9047.7 Ų47.742%0.41730%0.3SS..  trans-66.8142.5178.1-76.6-66000110.1S347 D348 M349 N437H345-S347 PolarHBondContact O-N 3.37Å; H345-D348 PolarHBondContact O-N 3.14Å; H345-M349 PolarHBondContact O-N 3.19Å; H345-N437 WeakPolarHBondContact CB-OD1 3.41Å
346L82.9Confident75.1Confident10 Ų1043.7 Ų43.75%0.05226%0.255CS..Hα-helixtrans-58.6-41.5179-72.2169.2000109.6P310 T317 D348 M349 F350 P372 Y433 H436 N437 F439P310-L346 WeakPolarHBondContact O-CD2 3.46Å; T317-L346 HydrophobicContact CG2-CD2 4.07Å; L346-D348 VanDerWaalsContact C-N 3.28Å; L346-D348 PolarHBondContact O-N 3.08Å; L346-M349 WeakPolarHBondContact O-CB 3.34Å; L346-M349 PolarHBondContact O-N 2.84Å; L346-M349 VanDerWaalsContact O-N 3.12Å; L346-F350 HydrophobicContact CB-CE2 4.49Å; L346-F350 HydrophobicContact CD2-CE2 4.04Å; L346-F350 VanDerWaalsContact O-CD2 3.27Å; L346-F350 WeakPolarHBondContact O-CD2 3.28Å; L346-F350 PolarHBondContact O-N 2.73Å; L346-F350 VanDerWaalsContact O-N 3.15Å; L346-P372 HydrophobicContact CD1-CG 4.4Å; L346-Y433 PolarHBondContact O-OH 3.41Å; L346-H436 HydrophobicContact CB-CB 4.5Å; L346-H436 WeakPolarHBondContact CD1-O 2.95Å; L346-N437 PolarHBondContact N-OD1 3.22Å; L346-N437 VanDerWaalsContact N-OD1 3.16Å; L346-F439 HydrophobicContact CD1-CB 3.86Å; L346-F439 HydrophobicContact CD1-CD1 4.26Å; L346-F439 HydrophobicContact CD1-CG 4.43Å
347S84.1Confident77.5Confident3 Ų338.7 Ų38.72%0.02122%0.22CC..Hα-helixtrans-54-45.8177.960.80000113.2H345 M349 L351 Y433 N437H345-S347 PolarHBondContact O-N 3.37Å; S347-M349 VanDerWaalsContact C-N 3.35Å; S347-L351 WeakPolarHBondContact O-CB 3.27Å; S347-L351 PolarHBondContact O-N 2.85Å; S347-Y433 VanDerWaalsContact O-CE1 3.31Å; S347-Y433 WeakPolarHBondContact O-CE1 3.5Å; S347-N437 PolarHBondContact N-OD1 2.93Å; S347-N437 PolarHBondContact OG-ND2 3.3Å; S347-N437 PolarHBondContact OG-OD1 2.88Å
348D84.8Confident79.7Confident44 Ų4433.8 Ų33.824%0.23520%0.197CC..Hα-helixtrans-71.5-36.9-177.3-55.6-15.2000110.2Y344 H345 L346 L351 D352Y344-D348 HydrophobicContact CD2-CB 4.1Å; Y344-D348 HydrophobicContact CE2-CB 3.79Å; H345-D348 PolarHBondContact O-N 3.14Å; L346-D348 VanDerWaalsContact C-N 3.28Å; L346-D348 PolarHBondContact O-N 3.08Å; D348-L351 PolarHBondContact O-N 3.03Å; D348-D352 WeakPolarHBondContact O-CB 3.41Å; D348-D352 PolarHBondContact O-N 3.31Å
349M89.1Confident81.8Confident1 Ų130.3 Ų30.31%0.00517%0.173CC..Hα-helixtrans-62-49.7-179.4-176.9-172.2-65.900113.8F223 P309 P310 T317 Y344 H345 L346 S347 L351 D352 L353F223-M349 HydrophobicContact CE1-CG 4.44Å; F223-M349 HydrophobicContact CE1-SD 4.36Å; F223-M349 HydrophobicContact CE2-CG 4.38Å; F223-M349 HydrophobicContact CZ-CG 3.75Å; F223-M349 HydrophobicContact CZ-SD 4.09Å; P309-M349 HydrophobicContact CB-CG 4.44Å; P309-M349 HydrophobicContact CB-SD 3.52Å; P309-M349 VanDerWaalsContact CB-SD 3.52Å; P310-M349 HydrophobicContact CG-CE 3.83Å; P310-M349 HydrophobicContact CG-SD 4.26Å; T317-M349 HydrophobicContact CG2-CE 3.64Å; Y344-M349 HydrophobicContact CD1-CB 4.12Å; Y344-M349 HydrophobicContact CD1-CE 3.45Å; Y344-M349 VanDerWaalsContact CD1-CE 3.45Å; Y344-M349 HydrophobicContact CD1-CG 4.16Å; Y344-M349 HydrophobicContact CD2-CB 4.18Å; Y344-M349 HydrophobicContact CE1-CB 3.75Å; Y344-M349 HydrophobicContact CE1-CE 3.92Å; Y344-M349 HydrophobicContact CE1-CG 3.67Å; Y344-M349 VanDerWaalsContact CE2-CA 3.48Å; Y344-M349 HydrophobicContact CE2-CB 3.86Å; Y344-M349 HydrophobicContact CG-CB 4.33Å; Y344-M349 HydrophobicContact CG-CE 4Å; Y344-M349 WeakPolarHBondContact OH-CA 3.32Å; H345-M349 PolarHBondContact O-N 3.19Å; L346-M349 WeakPolarHBondContact O-CB 3.34Å; L346-M349 PolarHBondContact O-N 2.84Å; L346-M349 VanDerWaalsContact O-N 3.12Å; S347-M349 VanDerWaalsContact C-N 3.35Å; M349-L351 VanDerWaalsContact C-N 3.31Å; M349-D352 PolarHBondContact O-N 3.05Å; M349-L353 WeakPolarHBondContact O-CB 3.26Å; M349-L353 PolarHBondContact O-N 2.98Å
350F91.2Very high83.9Confident0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-74.2-28.9179.4-67.7-88.2000111.4P309 L346 L353 L354 Y369 W370 L371 P384 Y433P309-F350 HydrophobicContact CB-CE1 4.25Å; P309-F350 HydrophobicContact CB-CZ 4.16Å; P309-F350 HydrophobicContact CG-CD1 4.5Å; P309-F350 HydrophobicContact CG-CE1 3.77Å; P309-F350 HydrophobicContact CG-CZ 4.16Å; L346-F350 HydrophobicContact CB-CE2 4.49Å; L346-F350 HydrophobicContact CD2-CE2 4.04Å; L346-F350 VanDerWaalsContact O-CD2 3.27Å; L346-F350 WeakPolarHBondContact O-CD2 3.28Å; L346-F350 PolarHBondContact O-N 2.73Å; L346-F350 VanDerWaalsContact O-N 3.15Å; F350-L353 HydrophobicContact CD1-CD2 4.27Å; F350-L353 PolarHBondContact O-N 3.45Å; F350-L354 WeakPolarHBondContact O-CB 3.31Å; F350-L354 WeakPolarHBondContact O-CD1 3.47Å; F350-L354 PolarHBondContact O-N 3.44Å; F350-Y369 AromaticContact CD1-CD2 3.59Å; F350-Y369 HydrophobicContact CD1-CD2 3.59Å; F350-Y369 AromaticContact CD1-CE2 3.45Å; F350-Y369 HydrophobicContact CD1-CE2 3.45Å; F350-Y369 VanDerWaalsContact CD1-CE2 3.45Å; F350-Y369 AromaticContact CE1-CD2 3.47Å; F350-Y369 HydrophobicContact CE1-CD2 3.47Å; F350-Y369 VanDerWaalsContact CE1-CD2 3.47Å; F350-Y369 AromaticContact CE1-CE2 3.7Å; F350-Y369 HydrophobicContact CE1-CE2 3.7Å; F350-W370 VanDerWaalsContact CE1-O 3.25Å; F350-W370 WeakPolarHBondContact CE1-O 3.48Å; F350-W370 WeakPolarHBondContact CZ-O 3.29Å; F350-L371 HydrophobicContact CD1-CD1 4.25Å; F350-L371 HydrophobicContact CD2-CD1 4.27Å; F350-L371 HydrophobicContact CE1-CD1 4.13Å; F350-L371 HydrophobicContact CE2-CD1 4.07Å; F350-L371 HydrophobicContact CG-CD1 4.31Å; F350-L371 HydrophobicContact CZ-CD1 4Å; F350-P384 HydrophobicContact CB-CG 3.98Å; F350-Y433 HydrophobicContact CB-CE1 4.08Å; F350-Y433 WeakPolarHBondContact CB-OH 3.26Å; F350-Y433 WeakPolarHBondContact CD2-OH 2.77Å; F350-Y433 WeakPolarHBondContact CG-OH 3.42Å
351L89.3Confident86.1Confident23 Ų2323.1 Ų23.112%0.1213%0.128CC..Hα-helixtrans-61.5-50.1171.3174.863.7000111.5S347 D348 M349 L353 L354 N355 H424 F430S347-L351 WeakPolarHBondContact O-CB 3.27Å; S347-L351 PolarHBondContact O-N 2.85Å; D348-L351 PolarHBondContact O-N 3.03Å; M349-L351 VanDerWaalsContact C-N 3.31Å; L351-L353 VanDerWaalsContact C-N 3.28Å; L351-L353 PolarHBondContact O-N 3.23Å; L351-L354 PolarHBondContact O-N 2.88Å; L351-N355 PolarHBondContact O-N 3.2Å; L351-N355 PolarHBondContact O-ND2 2.54Å; L351-H424 HydrophobicContact CD1-CB 3.52Å; L351-H424 VanDerWaalsContact CD1-CG 3.44Å; L351-H424 HydrophobicContact CD2-CB 4.43Å; L351-H424 WeakPolarHBondContact CD2-CD2 3.4Å; L351-H424 WeakPolarHBondContact CD2-NE2 3.25Å; L351-F430 HydrophobicContact CD2-CE2 4.14Å
352D91.5Very high87.9Confident48 Ų4822.7 Ų22.726%0.25712%0.123SC..Hα-helixtrans-60.7-40.3176.9-69.4-24.9000110.9Y344 D348 M349 N355 F356Y344-D352 WeakPolarHBondContact CE2-OD2 3.18Å; Y344-D352 VanDerWaalsContact OH-CB 3.28Å; Y344-D352 WeakPolarHBondContact OH-CB 3.14Å; Y344-D352 PolarHBondContact OH-OD2 3.33Å; D348-D352 WeakPolarHBondContact O-CB 3.41Å; D348-D352 PolarHBondContact O-N 3.31Å; M349-D352 PolarHBondContact O-N 3.05Å; D352-N355 PolarHBondContact O-N 3.28Å; D352-F356 WeakPolarHBondContact O-CB 3.39Å; D352-F356 PolarHBondContact O-N 3.4Å
353L94.9Very high89.8Confident6 Ų625 Ų253%0.03114%0.135CC..Hα-helixtrans-61.1-45.2175.2179.262.6000112.2P222 I305 T307 P309 M349 F350 L351 F356 A357 L367 Y369P222-L353 HydrophobicContact CG-CD1 3.67Å; I305-L353 HydrophobicContact CG2-CD1 4.44Å; T307-L353 HydrophobicContact CG2-CD1 4.11Å; T307-L353 HydrophobicContact CG2-CD2 3.9Å; P309-L353 HydrophobicContact CG-CD2 4.04Å; M349-L353 WeakPolarHBondContact O-CB 3.26Å; M349-L353 PolarHBondContact O-N 2.98Å; F350-L353 HydrophobicContact CD1-CD2 4.27Å; F350-L353 PolarHBondContact O-N 3.45Å; L351-L353 VanDerWaalsContact C-N 3.28Å; L351-L353 PolarHBondContact O-N 3.23Å; L353-F356 PolarHBondContact O-N 2.95Å; L353-A357 VanDerWaalsContact O-CB 3.3Å; L353-A357 WeakPolarHBondContact O-CB 3.34Å; L353-A357 PolarHBondContact O-N 2.86Å; L353-L367 HydrophobicContact CD1-CD1 4.13Å; L353-L367 HydrophobicContact CD2-CD1 4.42Å; L353-L367 HydrophobicContact CG-CD1 4.21Å; L353-L367 HydrophobicContact CG-CD2 4.37Å; L353-Y369 HydrophobicContact CD2-CD2 4.46Å; L353-Y369 HydrophobicContact CD2-CG 4.14Å
354L95.1Very high91.4Very high2 Ų223.4 Ų23.41%0.0113%0.13CC..Hα-helixtrans-67.2-42.7179.5-94.568.6000111.4F350 L351 A357 A358 L367 Y369 P384 H386 L389 M410F350-L354 WeakPolarHBondContact O-CB 3.31Å; F350-L354 WeakPolarHBondContact O-CD1 3.47Å; F350-L354 PolarHBondContact O-N 3.44Å; L351-L354 PolarHBondContact O-N 2.88Å; L354-A357 PolarHBondContact O-N 3.48Å; L354-A358 VanDerWaalsContact O-CB 3.28Å; L354-A358 WeakPolarHBondContact O-CB 3.18Å; L354-A358 PolarHBondContact O-N 2.81Å; L354-L367 HydrophobicContact CD1-CD2 4.01Å; L354-L367 HydrophobicContact CG-CD2 4.34Å; L354-Y369 HydrophobicContact CD1-CE1 4.17Å; L354-P384 HydrophobicContact CD1-CB 4.14Å; L354-P384 HydrophobicContact CD2-CB 3.59Å; L354-H386 HydrophobicContact CB-CB 4.16Å; L354-H386 HydrophobicContact CD2-CB 3.98Å; L354-H386 HydrophobicContact CG-CB 4.44Å; L354-L389 HydrophobicContact CB-CD1 4.26Å; L354-L389 HydrophobicContact CG-CD1 3.98Å; L354-M410 HydrophobicContact CD2-CE 4.23Å; L354-M410 HydrophobicContact CD2-SD 4.16Å; L354-M410 HydrophobicContact CG-SD 4.25Å
355N93.6Very high92.6Very high19 Ų1923.6 Ų23.610%0.10213%0.132CC..Hα-helixtrans-60.7-47.1173.8-80.6-34.3000111.2L351 D352 A357 A358 E359 H386L351-N355 PolarHBondContact O-N 3.2Å; L351-N355 PolarHBondContact O-ND2 2.54Å; D352-N355 PolarHBondContact O-N 3.28Å; N355-A357 VanDerWaalsContact C-N 3.35Å; N355-A357 PolarHBondContact O-N 3.15Å; N355-A358 PolarHBondContact O-N 2.9Å; N355-E359 PolarHBondContact O-N 3.45Å; N355-H386 PolarHBondContact OD1-CD2 3.19Å; N355-H386 VanDerWaalsContact OD1-CD2 3.28Å; N355-H386 PolarHBondContact OD1-NE2 3.41Å
356F95.1Very high93.5Very high15 Ų1519.9 Ų19.97%0.06612%0.115CC..Hα-helixtrans-59.8-45.6177.6179.6-97.1000111.5F220 P294 W296 F302 I305 D352 L353 E359 T360F220-F356 AromaticContact CD1-CE1 3.52Å; F220-F356 HydrophobicContact CD1-CE1 3.52Å; F220-F356 AromaticContact CD1-CZ 3.98Å; F220-F356 HydrophobicContact CD1-CZ 3.98Å; F220-F356 HydrophobicContact CE1-CD1 4.38Å; F220-F356 AromaticContact CE1-CE1 3.36Å; F220-F356 HydrophobicContact CE1-CE1 3.36Å; F220-F356 AromaticContact CE1-CZ 3.57Å; F220-F356 HydrophobicContact CE1-CZ 3.57Å; F220-F356 HydrophobicContact CZ-CZ 4.37Å; P294-F356 HydrophobicContact CB-CD2 3.67Å; P294-F356 HydrophobicContact CB-CE2 3.69Å; P294-F356 HydrophobicContact CG-CD2 3.68Å; P294-F356 HydrophobicContact CG-CE2 4.23Å; W296-F356 HydrophobicContact CB-CE2 4.4Å; W296-F356 AromaticContact CD1-CE2 3.39Å; W296-F356 AromaticContact CD1-CZ 3.7Å; W296-F356 AromaticContact CG-CE2 3.96Å; W296-F356 HydrophobicContact CG-CE2 3.96Å; W296-F356 HydrophobicContact CG-CZ 4.26Å; W296-F356 AromaticContact NE1-CE2 3.9Å; W296-F356 AromaticContact NE1-CZ 3.73Å; F302-F356 HydrophobicContact CD2-CE1 4.43Å; F302-F356 HydrophobicContact CE2-CE1 4.06Å; F302-F356 AromaticContact CE2-CZ 3.76Å; F302-F356 HydrophobicContact CE2-CZ 3.76Å; I305-F356 HydrophobicContact CD1-CD1 3.93Å; I305-F356 HydrophobicContact CD1-CE1 3.89Å; D352-F356 WeakPolarHBondContact O-CB 3.39Å; D352-F356 PolarHBondContact O-N 3.4Å; L353-F356 PolarHBondContact O-N 2.95Å; F356-E359 PolarHBondContact O-N 3.44Å; F356-T360 HydrophobicContact CD2-CG2 3.94Å; F356-T360 HydrophobicContact CE1-CG2 4.28Å; F356-T360 WeakPolarHBondContact CE1-OG1 3.45Å; F356-T360 HydrophobicContact CE2-CG2 3.58Å; F356-T360 HydrophobicContact CG-CG2 4.46Å; F356-T360 HydrophobicContact CZ-CG2 3.8Å; F356-T360 WeakPolarHBondContact O-CB 3.39Å; F356-T360 WeakPolarHBondContact O-CG2 3.13Å; F356-T360 PolarHBondContact O-N 2.79Å; F356-T360 PolarHBondContact O-OG1 3.39Å
357A96.8Very high94.2Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-65.1-41.4177.200000112.1I305 L353 L354 N355 E359 T360 L361 L367 L389I305-A357 HydrophobicContact CD1-CB 3.84Å; L353-A357 VanDerWaalsContact O-CB 3.3Å; L353-A357 WeakPolarHBondContact O-CB 3.34Å; L353-A357 PolarHBondContact O-N 2.86Å; L354-A357 PolarHBondContact O-N 3.48Å; N355-A357 VanDerWaalsContact C-N 3.35Å; N355-A357 PolarHBondContact O-N 3.15Å; A357-E359 VanDerWaalsContact C-N 3.32Å; A357-E359 PolarHBondContact O-N 3.23Å; A357-T360 PolarHBondContact O-N 2.82Å; A357-L361 HydrophobicContact CB-CD1 3.9Å; A357-L361 HydrophobicContact CB-CG 4.39Å; A357-L361 WeakPolarHBondContact O-CB 3.41Å; A357-L361 WeakPolarHBondContact O-CG 3.35Å; A357-L361 PolarHBondContact O-N 3.14Å; A357-L367 HydrophobicContact CB-CB 4.08Å; A357-L367 HydrophobicContact CB-CD1 4.14Å; A357-L367 HydrophobicContact CB-CD2 3.74Å; A357-L367 HydrophobicContact CB-CG 4.17Å; A357-L389 HydrophobicContact CB-CD1 4.31Å
358A96.1Very high94.9Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-60.8-41175.600000111.8L354 N355 H386 C388 L389 K412 F416L354-A358 VanDerWaalsContact O-CB 3.28Å; L354-A358 WeakPolarHBondContact O-CB 3.18Å; L354-A358 PolarHBondContact O-N 2.81Å; N355-A358 PolarHBondContact O-N 2.9Å; A358-H386 WeakPolarHBondContact CB-CE1 3.48Å; A358-H386 WeakPolarHBondContact CB-ND1 3.03Å; A358-C388 HydrophobicContact CB-CB 3.88Å; A358-L389 HydrophobicContact CB-CG 4.49Å; A358-K412 WeakPolarHBondContact O-CE 3.18Å; A358-K412 PolarHBondContact O-NZ 2.99Å; A358-F416 HydrophobicContact CB-CD2 3.78Å; A358-F416 HydrophobicContact CB-CE2 4.33Å; A358-F416 WeakPolarHBondContact O-CB 3.39Å
359E95.1Very high95.6Very high48 Ų4817.1 Ų17.122%0.22410%0.1CC..Hα-helixtrans-72.1-44.6177.7-171.1165.7-163.900112K298 N355 F356 A357 F416K298-E359 VanDerWaalsContact CB-OE1 3.28Å; K298-E359 WeakPolarHBondContact CB-OE1 3.49Å; K298-E359 VanDerWaalsContact CD-OE1 3.23Å; K298-E359 WeakPolarHBondContact CD-OE1 3.25Å; K298-E359 WeakPolarHBondContact CG-OE1 3.3Å; N355-E359 PolarHBondContact O-N 3.45Å; F356-E359 PolarHBondContact O-N 3.44Å; A357-E359 VanDerWaalsContact C-N 3.32Å; A357-E359 PolarHBondContact O-N 3.23Å; E359-F416 HydrophobicContact CB-CD1 3.99Å; E359-F416 HydrophobicContact CB-CE1 4.15Å; E359-F416 HydrophobicContact CB-CG 4.23Å; E359-F416 HydrophobicContact CG-CD1 3.96Å; E359-F416 HydrophobicContact CG-CE1 4.13Å
360T96.4Very high96Very high3 Ų317.1 Ų17.12%0.01810%0.1CC..Hα-helixtrans-100.8-19.7-163.865.20000116.9G299 T300 Y301 F302 F356 A357G299-T360 WeakPolarHBondContact O-CA 3.47Å; T300-T360 CarbonylContact C-O 3.59Å; T300-T360 WeakPolarHBondContact CA-O 3.44Å; Y301-T360 HydrophobicContact CD2-CG2 4.13Å; Y301-T360 HydrophobicContact CE2-CG2 4.34Å; Y301-T360 PolarHBondContact N-O 3.02Å; F302-T360 HydrophobicContact CE2-CG2 4.5Å; F302-T360 PolarHBondContact N-O 3.03Å; F356-T360 HydrophobicContact CD2-CG2 3.94Å; F356-T360 HydrophobicContact CE1-CG2 4.28Å; F356-T360 WeakPolarHBondContact CE1-OG1 3.45Å; F356-T360 HydrophobicContact CE2-CG2 3.58Å; F356-T360 HydrophobicContact CG-CG2 4.46Å; F356-T360 HydrophobicContact CZ-CG2 3.8Å; F356-T360 WeakPolarHBondContact O-CB 3.39Å; F356-T360 WeakPolarHBondContact O-CG2 3.13Å; F356-T360 PolarHBondContact O-N 2.79Å; F356-T360 PolarHBondContact O-OG1 3.39Å; A357-T360 PolarHBondContact O-N 2.82Å
361L97.9Very high96.2Very high0 Ų017.1 Ų17.10%010%0.1CC..EExtended strand (participates in β ladder)trans-70.6148.6175.3-76.1170.7000111.6T300 F302 I305 A357 L367 K412T300-L361 WeakPolarHBondContact CG2-O 3.27Å; F302-L361 HydrophobicContact CB-CD2 4.33Å; F302-L361 CarbonylContact O-C 3.6Å; F302-L361 WeakPolarHBondContact O-CA 3.38Å; I305-L361 HydrophobicContact CB-CD2 4.33Å; I305-L361 HydrophobicContact CD1-CD1 4.34Å; I305-L361 HydrophobicContact CD1-CD2 3.94Å; I305-L361 HydrophobicContact CD1-CG 3.76Å; I305-L361 HydrophobicContact CG1-CD2 3.73Å; I305-L361 HydrophobicContact CG1-CG 4.13Å; A357-L361 HydrophobicContact CB-CD1 3.9Å; A357-L361 HydrophobicContact CB-CG 4.39Å; A357-L361 WeakPolarHBondContact O-CB 3.41Å; A357-L361 WeakPolarHBondContact O-CG 3.35Å; A357-L361 PolarHBondContact O-N 3.14Å; L361-L367 HydrophobicContact CD1-CB 3.99Å; L361-K412 HydrophobicContact CB-CB 4.29Å; L361-K412 HydrophobicContact CB-CD 3.83Å; L361-K412 VanDerWaalsContact O-CD 3.23Å; L361-K412 WeakPolarHBondContact O-CD 3.27Å; L361-K412 WeakPolarHBondContact O-CE 3.19Å; L361-K412 PolarHBondContact O-NZ 3.44Å
362V97.6Very high96.3Very high43 Ų4316 Ų1626%0.2619%0.094SC..EExtended strand (participates in β ladder)trans-67.1157.7163.3-580000110.9F302 G364 G365F302-V362 PolarHBondContact O-N 3.1Å; V362-G364 PolarHBondContact O-N 3.49Å; V362-G365 WeakPolarHBondContact O-CA 3.43Å; V362-G365 PolarHBondContact O-N 3.16Å
363L97.8Very high96.3Very high95 Ų9513.8 Ų13.850%0.4978%0.082SC..EExtended strand (participates in β ladder)trans-61.5133.3171.4-75.8172.8000110.1G365 K412 Q414 K415L363-G365 PolarHBondContact O-N 2.85Å; L363-K412 HydrophobicContact CD2-CG 4.32Å; L363-Q414 VanDerWaalsContact CD2-C 3.43Å; L363-K415 HydrophobicContact CD1-CG 4.05Å; L363-K415 HydrophobicContact CD2-CG 4.37Å; L363-K415 HydrophobicContact CG-CG 4.45Å
364G97.4Very high96Very high40 Ų4015.5 Ų15.541%0.4129%0.089SC..EExtended strand (participates in β ladder)trans78.4-8.2-172.300000114.4V362 K412V362-G364 PolarHBondContact O-N 3.49Å; G364-K412 PolarHBondContact N-O 3.03Å
365G98.2Very high95.7Very high5 Ų517.6 Ų17.65%0.05210%0.102CC..EExtended strand (participates in β ladder)trans-67.5156.5172.200000111.7D303 V362 L363 K412D303-G365 WeakPolarHBondContact O-CA 3.19Å; V362-G365 WeakPolarHBondContact O-CA 3.43Å; V362-G365 PolarHBondContact O-N 3.16Å; L363-G365 PolarHBondContact O-N 2.85Å; G365-K412 PolarHBondContact O-N 3.4Å
366R98.6Very high95.4Very high12 Ų1220.6 Ų20.65%0.04512%0.122CC..EExtended strand (participates in β ladder)trans-118.5137.6-172.1-71.3-175.9171.7-166.5-7.6113.6S28 H210 K212 D303 A304 I305 M410 E411S28-R366 PolarHBondContact OG-NH1 3.11Å; H210-R366 WeakPolarHBondContact O-CD 3.09Å; H210-R366 PolarHBondContact O-NH1 3.1Å; K212-R366 VanDerWaalsContact NZ-NH2 3.13Å; D303-R366 PolarHBondContact O-N 3.32Å; A304-R366 VanDerWaalsContact CA-O 3.32Å; A304-R366 WeakPolarHBondContact CA-O 3.45Å; I305-R366 PolarHBondContact N-O 2.84Å; R366-M410 CarbonylContact C-O 3.5Å; R366-M410 VanDerWaalsContact CA-O 3.22Å; R366-M410 WeakPolarHBondContact CA-O 3.37Å; R366-E411 HydrophobicContact CG-CB 4.19Å; R366-E411 HydrophobicContact CG-CG 4.1Å; R366-E411 IonicContact CZ-OE2 3.2Å; R366-E411 IonicContact NE-OE2 3.25Å; R366-E411 PolarHBondContact NE-OE2 3.24Å; R366-E411 IonicContact NH2-OE2 3.27Å; R366-E411 PolarHBondContact NH2-OE2 3.39Å
367L98.8Very high95Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-96.9123.6164.5173.464.6000108.3I305 L353 L354 A357 L361 Y369 L389 T409 M410I305-L367 HydrophobicContact CB-CD1 3.8Å; I305-L367 HydrophobicContact CG2-CD1 3.54Å; I305-L367 CarbonylContact O-C 3.55Å; I305-L367 WeakPolarHBondContact O-CA 3.35Å; L353-L367 HydrophobicContact CD1-CD1 4.13Å; L353-L367 HydrophobicContact CD2-CD1 4.42Å; L353-L367 HydrophobicContact CG-CD1 4.21Å; L353-L367 HydrophobicContact CG-CD2 4.37Å; L354-L367 HydrophobicContact CD1-CD2 4.01Å; L354-L367 HydrophobicContact CG-CD2 4.34Å; A357-L367 HydrophobicContact CB-CB 4.08Å; A357-L367 HydrophobicContact CB-CD1 4.14Å; A357-L367 HydrophobicContact CB-CD2 3.74Å; A357-L367 HydrophobicContact CB-CG 4.17Å; L361-L367 HydrophobicContact CD1-CB 3.99Å; L367-Y369 HydrophobicContact CD1-CD1 4.35Å; L367-Y369 HydrophobicContact CD2-CD1 3.84Å; L367-Y369 HydrophobicContact CD2-CE1 3.9Å; L367-Y369 HydrophobicContact CG-CD1 3.76Å; L367-Y369 HydrophobicContact CG-CE1 4.25Å; L367-L389 HydrophobicContact CD2-CD1 4.27Å; L367-T409 WeakPolarHBondContact O-CA 3.49Å; L367-M410 HydrophobicContact CB-CB 4.44Å; L367-M410 PolarHBondContact N-O 3.46Å; L367-M410 PolarHBondContact O-N 3.12Å
368V98.8Very high94.6Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-124.7117.4177.3-175.10000109.1M207 H210 I305 I306 T307 L407 I408 T409M207-V368 HydrophobicContact CB-CG1 4.1Å; M207-V368 HydrophobicContact CE-CG1 4.24Å; M207-V368 HydrophobicContact CG-CG1 4.2Å; H210-V368 HydrophobicContact CB-CG1 4.14Å; H210-V368 HydrophobicContact CB-CG2 4.09Å; I305-V368 PolarHBondContact O-N 3.23Å; I306-V368 WeakPolarHBondContact CA-O 2.99Å; I306-V368 HydrophobicContact CG1-CB 4.29Å; I306-V368 HydrophobicContact CG2-CB 4.44Å; T307-V368 PolarHBondContact N-O 2.9Å; V368-L407 HydrophobicContact CG1-CD1 3.72Å; V368-L407 HydrophobicContact CG1-CG 4.27Å; V368-I408 WeakPolarHBondContact CA-O 3.47Å; V368-T409 HydrophobicContact CG2-CG2 4.09Å
369Y98.4Very high94.3Very high0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans-146.9156.5-175.870.1-83.3000113.4T307 F350 L353 L354 L367 L371 I408 M410T307-Y369 VanDerWaalsContact O-CA 3.27Å; T307-Y369 WeakPolarHBondContact O-CA 3.27Å; F350-Y369 AromaticContact CD1-CD2 3.59Å; F350-Y369 HydrophobicContact CD1-CD2 3.59Å; F350-Y369 AromaticContact CD1-CE2 3.45Å; F350-Y369 HydrophobicContact CD1-CE2 3.45Å; F350-Y369 VanDerWaalsContact CD1-CE2 3.45Å; F350-Y369 AromaticContact CE1-CD2 3.47Å; F350-Y369 HydrophobicContact CE1-CD2 3.47Å; F350-Y369 VanDerWaalsContact CE1-CD2 3.47Å; F350-Y369 AromaticContact CE1-CE2 3.7Å; F350-Y369 HydrophobicContact CE1-CE2 3.7Å; L353-Y369 HydrophobicContact CD2-CD2 4.46Å; L353-Y369 HydrophobicContact CD2-CG 4.14Å; L354-Y369 HydrophobicContact CD1-CE1 4.17Å; L367-Y369 HydrophobicContact CD1-CD1 4.35Å; L367-Y369 HydrophobicContact CD2-CD1 3.84Å; L367-Y369 HydrophobicContact CD2-CE1 3.9Å; L367-Y369 HydrophobicContact CG-CD1 3.76Å; L367-Y369 HydrophobicContact CG-CE1 4.25Å; Y369-L371 HydrophobicContact CD2-CB 4.47Å; Y369-L371 HydrophobicContact CE2-CB 4.05Å; Y369-I408 HydrophobicContact CD1-CB 4.01Å; Y369-I408 HydrophobicContact CD1-CG2 4.26Å; Y369-I408 HydrophobicContact CD2-CB 4.34Å; Y369-I408 HydrophobicContact CE1-CB 3.61Å; Y369-I408 HydrophobicContact CE1-CG1 4.47Å; Y369-I408 HydrophobicContact CE1-CG2 3.46Å; Y369-I408 VanDerWaalsContact CE1-CG2 3.46Å; Y369-I408 HydrophobicContact CE2-CB 3.98Å; Y369-I408 HydrophobicContact CE2-CG1 4.02Å; Y369-I408 HydrophobicContact CE2-CG2 4.43Å; Y369-I408 HydrophobicContact CG-CB 4.41Å; Y369-I408 PolarHBondContact N-O 2.9Å; Y369-I408 PolarHBondContact O-N 3.29Å; Y369-M410 HydrophobicContact CE1-CE 4.19Å; Y369-M410 HydrophobicContact CE1-SD 4.1Å; Y369-M410 WeakPolarHBondContact OH-CE 3.06Å
370W97.2Very high94Very high0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92131.4171.2-70.6103.9000112F21 M199 L203 M207 T307 D308 Y311 F350 Q397 R405 R406 L407F21-W370 AromaticContact CE1-CH2 3.54Å; F21-W370 HydrophobicContact CE1-CH2 3.54Å; F21-W370 HydrophobicContact CE1-CZ2 4.39Å; F21-W370 HydrophobicContact CE1-CZ3 4.14Å; F21-W370 AromaticContact CZ-CH2 3.53Å; F21-W370 HydrophobicContact CZ-CH2 3.53Å; F21-W370 HydrophobicContact CZ-CZ3 4.07Å; M199-W370 VanDerWaalsContact CE-NE1 3.35Å; L203-W370 HydrophobicContact CD1-CZ2 4.24Å; L203-W370 HydrophobicContact CD2-CH2 4.42Å; L203-W370 HydrophobicContact CD2-CZ2 4.17Å; M207-W370 PolarHBondContact SD-NE1 3.07Å; T307-W370 PolarHBondContact O-N 3.46Å; D308-W370 VanDerWaalsContact OD1-CB 3.26Å; D308-W370 WeakPolarHBondContact OD1-CB 3.3Å; Y311-W370 HydrophobicContact CE1-CB 4.36Å; Y311-W370 WeakPolarHBondContact OH-CB 3.3Å; F350-W370 VanDerWaalsContact CE1-O 3.25Å; F350-W370 WeakPolarHBondContact CE1-O 3.48Å; F350-W370 WeakPolarHBondContact CZ-O 3.29Å; W370-Q397 HydrophobicContact CH2-CB 3.97Å; W370-Q397 HydrophobicContact CZ3-CB 3.84Å; W370-R405 HydrophobicContact CD2-CG 4.24Å; W370-R405 HydrophobicContact CE3-CB 3.95Å; W370-R405 HydrophobicContact CE3-CG 3.49Å; W370-R405 VanDerWaalsContact CE3-CG 3.49Å; W370-R405 HydrophobicContact CZ3-CG 3.73Å; W370-R406 CarbonylContact C-O 3.54Å; W370-R406 WeakPolarHBondContact CA-O 3.15Å; W370-L407 HydrophobicContact CD2-CB 4.25Å; W370-L407 HydrophobicContact CD2-CD1 3.93Å; W370-L407 HydrophobicContact CE3-CB 3.79Å; W370-L407 HydrophobicContact CE3-CD1 4.33Å; W370-L407 HydrophobicContact CG-CD1 4.33Å; W370-L407 HydrophobicContact CH2-CB 3.74Å; W370-L407 HydrophobicContact CH2-CD1 4.48Å; W370-L407 HydrophobicContact CH2-CG 4.5Å; W370-L407 HydrophobicContact CZ2-CB 4.16Å; W370-L407 HydrophobicContact CZ2-CD1 4.05Å; W370-L407 HydrophobicContact CZ2-CD2 4.48Å; W370-L407 HydrophobicContact CZ2-CG 4.47Å; W370-L407 HydrophobicContact CZ3-CB 3.53Å
371L94.8Very high93.5Very high0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-110.6115.1175.217967.3000109.8F350 Y369 V373 V383 R405 R406 I408 Y433F350-L371 HydrophobicContact CD1-CD1 4.25Å; F350-L371 HydrophobicContact CD2-CD1 4.27Å; F350-L371 HydrophobicContact CE1-CD1 4.13Å; F350-L371 HydrophobicContact CE2-CD1 4.07Å; F350-L371 HydrophobicContact CG-CD1 4.31Å; F350-L371 HydrophobicContact CZ-CD1 4Å; Y369-L371 HydrophobicContact CD2-CB 4.47Å; Y369-L371 HydrophobicContact CE2-CB 4.05Å; L371-V373 HydrophobicContact CD2-CG1 4.32Å; L371-V373 HydrophobicContact CG-CG1 4.22Å; L371-V383 HydrophobicContact CD2-CG2 4.36Å; L371-R405 CarbonylContact O-C 3.48Å; L371-R405 VanDerWaalsContact O-CA 3.25Å; L371-R405 WeakPolarHBondContact O-CA 3.47Å; L371-R406 HydrophobicContact CB-CB 4.35Å; L371-R406 PolarHBondContact N-O 3.21Å; L371-R406 PolarHBondContact O-N 3.18Å; L371-I408 HydrophobicContact CB-CG1 3.96Å; L371-I408 HydrophobicContact CD2-CG1 4.37Å; L371-Y433 HydrophobicContact CD1-CE2 3.98Å
372P92.9Very high93Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-71.4133.5175.128.6-33.7000111.1Y311 L346 H436 F439Y311-P372 HydrophobicContact CD1-CB 3.86Å; Y311-P372 HydrophobicContact CD1-CG 3.52Å; Y311-P372 HydrophobicContact CD2-CB 3.92Å; Y311-P372 HydrophobicContact CD2-CG 4.47Å; Y311-P372 HydrophobicContact CE1-CB 4.31Å; Y311-P372 HydrophobicContact CE1-CG 4.13Å; Y311-P372 HydrophobicContact CE2-CB 4.32Å; Y311-P372 HydrophobicContact CG-CB 3.7Å; Y311-P372 HydrophobicContact CG-CG 3.77Å; L346-P372 HydrophobicContact CD1-CG 4.4Å; P372-H436 PolarHBondContact O-CE1 3.15Å; P372-H436 PolarHBondContact O-ND1 2.69Å; P372-F439 HydrophobicContact CB-CD1 3.91Å; P372-F439 HydrophobicContact CB-CD2 4.3Å; P372-F439 HydrophobicContact CB-CE1 3.51Å; P372-F439 HydrophobicContact CB-CE2 3.96Å; P372-F439 HydrophobicContact CB-CG 4.28Å; P372-F439 HydrophobicContact CB-CZ 3.55Å; P372-F439 HydrophobicContact CG-CD1 4.34Å; P372-F439 HydrophobicContact CG-CE1 4.35Å
373V90.6Very high92.6Very high1 Ų139.1 Ų39.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-133.1142.7-178-60.20000111.9L371 Y378 S404 R406 F439L371-V373 HydrophobicContact CD2-CG1 4.32Å; L371-V373 HydrophobicContact CG-CG1 4.22Å; V373-Y378 HydrophobicContact CB-CD2 3.68Å; V373-Y378 HydrophobicContact CB-CE2 4.35Å; V373-Y378 HydrophobicContact CB-CG 4.1Å; V373-Y378 HydrophobicContact CG1-CD2 3.3Å; V373-Y378 HydrophobicContact CG1-CE2 3.53Å; V373-Y378 HydrophobicContact CG1-CG 4.17Å; V373-Y378 HydrophobicContact CG2-CD2 4.23Å; V373-Y378 HydrophobicContact CG2-CG 4.31Å; V373-S404 WeakPolarHBondContact CG2-O 3.44Å; V373-S404 WeakPolarHBondContact CG2-OG 3.45Å; V373-S404 PolarHBondContact N-O 3.48Å; V373-S404 PolarHBondContact O-N 3.34Å; V373-S404 VanDerWaalsContact O-N 3.09Å; V373-R406 HydrophobicContact CG1-CG 3.87Å; V373-R406 HydrophobicContact CG2-CG 4Å; V373-F439 WeakPolarHBondContact O-CE2 3.27Å
374Y88.9Confident92.3Very high43 Ų4335 Ų3517%0.16919%0.19CC..EExtended strand (participates in β ladder)trans-89.2107.8166.7-179.2-115.1000108.4P376 E377 Y378 H402 T403 K442Y374-P376 VanDerWaalsContact C-CD 3.46Å; Y374-P376 HydrophobicContact CD1-CB 4.35Å; Y374-P376 HydrophobicContact CD1-CG 4.31Å; Y374-P376 HydrophobicContact CE1-CB 3.79Å; Y374-P376 HydrophobicContact CE1-CG 3.73Å; Y374-P376 HydrophobicContact CE2-CG 4.11Å; Y374-E377 HydrophobicContact CD1-CB 4.04Å; Y374-E377 HydrophobicContact CD1-CG 3.76Å; Y374-E377 WeakPolarHBondContact CD1-OE1 3.11Å; Y374-E377 HydrophobicContact CE1-CG 3.94Å; Y374-E377 VanDerWaalsContact CE1-OE1 3.32Å; Y374-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y374-E377 PolarHBondContact O-N 3.49Å; Y374-E377 VanDerWaalsContact O-N 3.15Å; Y374-Y378 PolarHBondContact O-N 3.1Å; Y374-H402 HydrophobicContact CD2-CB 4.41Å; Y374-H402 WeakPolarHBondContact CD2-O 3.47Å; Y374-H402 HydrophobicContact CE2-CB 3.8Å; Y374-T403 HydrophobicContact CD2-CG2 4.27Å; Y374-K442 HydrophobicContact CD1-CD 3.89Å; Y374-K442 HydrophobicContact CD2-CB 3.96Å; Y374-K442 HydrophobicContact CE1-CD 4.48Å; Y374-K442 HydrophobicContact CE2-CB 4.35Å; Y374-K442 HydrophobicContact CG-CB 4.05Å; Y374-K442 HydrophobicContact CG-CD 4.03Å
375T88.1Confident91.9Very high46 Ų4638.8 Ų38.828%0.28219%0.191SC..G310 helixtrans-56.3-40.1-166-46.60000114.1E377 Y378 H402 S404T375-E377 PolarHBondContact O-N 2.78Å; T375-Y378 PolarHBondContact O-N 2.85Å; T375-H402 PolarHBondContact N-O 3.44Å; T375-H402 PolarHBondContact OG1-O 2.58Å; T375-S404 PolarHBondContact OG1-N 3.34Å; T375-S404 PolarHBondContact OG1-OG 3.19Å; T375-S404 VanDerWaalsContact OG1-OG 3.09Å
376P87.8Confident91.7Very high81 Ų8138.6 Ų38.653%0.52619%0.189SC..G310 helixtrans-64.1-21.7-179.4-26.337.3000115.6Y374 H402Y374-P376 VanDerWaalsContact C-CD 3.46Å; Y374-P376 HydrophobicContact CD1-CB 4.35Å; Y374-P376 HydrophobicContact CD1-CG 4.31Å; Y374-P376 HydrophobicContact CE1-CB 3.79Å; Y374-P376 HydrophobicContact CE1-CG 3.73Å; Y374-P376 HydrophobicContact CE2-CG 4.11Å; P376-H402 WeakPolarHBondContact CD-O 3.3Å; P376-H402 HydrophobicContact CG-CB 4.43Å
377E86.7Confident91.4Very high95 Ų9539.4 Ų39.444%0.44420%0.196SC..G310 helixtrans-113.2-0.4-177.2-64.6173-148.100112.4Y374 T375 T379 K442Y374-E377 HydrophobicContact CD1-CB 4.04Å; Y374-E377 HydrophobicContact CD1-CG 3.76Å; Y374-E377 WeakPolarHBondContact CD1-OE1 3.11Å; Y374-E377 HydrophobicContact CE1-CG 3.94Å; Y374-E377 VanDerWaalsContact CE1-OE1 3.32Å; Y374-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y374-E377 PolarHBondContact O-N 3.49Å; Y374-E377 VanDerWaalsContact O-N 3.15Å; T375-E377 PolarHBondContact O-N 2.78Å; E377-T379 PolarHBondContact O-N 2.72Å; E377-K442 WeakPolarHBondContact OE1-CE 3.43Å; E377-K442 IonicContact OE1-NZ 2.78Å; E377-K442 WeakPolarHBondContact OE2-CE 3.36Å; E377-K442 IonicContact OE2-NZ 3.09Å; E377-K442 PolarHBondContact OE2-NZ 2.75Å
378Y89.5Confident91.3Very high31 Ų3139.4 Ų39.412%0.12220%0.196CC..  trans-75.7127.3-173.5174.3-100.1000112V373 Y374 T375 M382 N394 R406V373-Y378 HydrophobicContact CB-CD2 3.68Å; V373-Y378 HydrophobicContact CB-CE2 4.35Å; V373-Y378 HydrophobicContact CB-CG 4.1Å; V373-Y378 HydrophobicContact CG1-CD2 3.3Å; V373-Y378 HydrophobicContact CG1-CE2 3.53Å; V373-Y378 HydrophobicContact CG1-CG 4.17Å; V373-Y378 HydrophobicContact CG2-CD2 4.23Å; V373-Y378 HydrophobicContact CG2-CG 4.31Å; Y374-Y378 PolarHBondContact O-N 3.1Å; T375-Y378 PolarHBondContact O-N 2.85Å; Y378-M382 HydrophobicContact CD2-SD 4.44Å; Y378-N394 PolarHBondContact OH-ND2 2.94Å; Y378-N394 PolarHBondContact OH-OD1 3.19Å; Y378-R406 HydrophobicContact CE1-CG 4.49Å; Y378-R406 VanDerWaalsContact CE1-CZ 3.48Å; Y378-R406 HydrophobicContact CE2-CG 4.15Å
379T89Confident91.3Very high68 Ų6839.7 Ų39.742%0.41720%0.198SC..  trans-124.7155.4165.468.10000109.8E377 E381 M382E377-T379 PolarHBondContact O-N 2.72Å; T379-E381 PolarHBondContact O-N 3.5Å; T379-M382 PolarHBondContact N-SD 2.98Å; T379-M382 WeakPolarHBondContact O-CB 3.5Å; T379-M382 PolarHBondContact O-N 2.74Å; T379-M382 VanDerWaalsContact O-N 3.07Å
380E88.3Confident91.2Very high138 Ų13845.8 Ų45.865%0.64522%0.224SC*.G310 helixtrans-63.9-23.1-180-65.8-170.3174.800113M382 V383E380-M382 PolarHBondContact O-N 3.2Å; E380-V383 WeakPolarHBondContact O-CB 3.31Å; E380-V383 WeakPolarHBondContact O-CG2 3.47Å; E380-V383 PolarHBondContact O-N 3.19Å; E380-V383 VanDerWaalsContact O-N 3.16Å
381E86Confident91.3Very high133 Ų13349.4 Ų49.462%0.62124%0.243SC*.G310 helixtrans-65.5-17.7174.9-62.8175.9-175.800113.2T379 V383T379-E381 PolarHBondContact O-N 3.5Å; E381-V383 VanDerWaalsContact C-N 3.27Å; E381-V383 PolarHBondContact O-N 3.01Å
382M86.8Confident91.4Very high22 Ų2252.4 Ų52.411%0.10826%0.258CS..G310 helixtrans-78.8-8.4176.2-57.8176.877.700113Y378 T379 E380 P384 P432 Y433Y378-M382 HydrophobicContact CD2-SD 4.44Å; T379-M382 PolarHBondContact N-SD 2.98Å; T379-M382 WeakPolarHBondContact O-CB 3.5Å; T379-M382 PolarHBondContact O-N 2.74Å; T379-M382 VanDerWaalsContact O-N 3.07Å; E380-M382 PolarHBondContact O-N 3.2Å; M382-P384 WeakPolarHBondContact O-CD 3.04Å; M382-P432 HydrophobicContact CG-CB 4.15Å; M382-Y433 WeakPolarHBondContact O-CD2 3.35Å
383V90.9Very high91.6Very high12 Ų1253 Ų537%0.07326%0.263CS..SBendtrans-66.6125.6175.1177.80000108.6L371 E380 E381 W385 L391 N394 I408 M410L371-V383 HydrophobicContact CD2-CG2 4.36Å; E380-V383 WeakPolarHBondContact O-CB 3.31Å; E380-V383 WeakPolarHBondContact O-CG2 3.47Å; E380-V383 PolarHBondContact O-N 3.19Å; E380-V383 VanDerWaalsContact O-N 3.16Å; E381-V383 VanDerWaalsContact C-N 3.27Å; E381-V383 PolarHBondContact O-N 3.01Å; V383-W385 PolarHBondContact O-N 3.25Å; V383-L391 HydrophobicContact CG1-CD1 4.34Å; V383-N394 WeakPolarHBondContact CG2-ND2 3.11Å; V383-I408 HydrophobicContact CG1-CD1 4.11Å; V383-I408 HydrophobicContact CG1-CG1 4.37Å; V383-I408 HydrophobicContact CG1-CG2 4.09Å; V383-I408 HydrophobicContact CG2-CD1 4Å; V383-M410 HydrophobicContact CG1-CE 3.85Å
384P90.2Very high91.9Very high9 Ų954.4 Ų54.46%0.05827%0.27CS..  trans-52141.1177.2-29.736.6000112.2F350 L354 M382 M410 Y433F350-P384 HydrophobicContact CB-CG 3.98Å; L354-P384 HydrophobicContact CD1-CB 4.14Å; L354-P384 HydrophobicContact CD2-CB 3.59Å; M382-P384 WeakPolarHBondContact O-CD 3.04Å; P384-M410 WeakPolarHBondContact O-CE 3.12Å; P384-Y433 HydrophobicContact CB-CE1 4.44Å; P384-Y433 HydrophobicContact CG-CD1 4.1Å; P384-Y433 HydrophobicContact CG-CD2 3.76Å; P384-Y433 HydrophobicContact CG-CE1 3.72Å; P384-Y433 HydrophobicContact CG-CE2 3.47Å; P384-Y433 VanDerWaalsContact CG-CE2 3.47Å; P384-Y433 HydrophobicContact CG-CG 4.13Å; P384-Y433 VanDerWaalsContact CG-CZ 3.49Å
385W89.8Confident92.2Very high118 Ų11852.4 Ų52.445%0.44726%0.262SS..  trans-123146.7-177.4178.387.1000111.5V383 P387 H429V383-W385 PolarHBondContact O-N 3.25Å; W385-P387 HydrophobicContact CH2-CB 3.68Å; W385-P387 HydrophobicContact CH2-CG 4.25Å; W385-P387 HydrophobicContact CZ2-CB 4.05Å; W385-P387 HydrophobicContact CZ3-CB 4.38Å; W385-P387 HydrophobicContact CZ3-CG 4.49Å; W385-H429 HydrophobicContact CB-CB 4.41Å
386H93.1Very high92.5Very high1 Ų151.6 Ų51.61%0.00526%0.255CS..  trans-145.6137.4173-174.7-73.7000109.4L354 N355 A358 C388 L389 F416L354-H386 HydrophobicContact CB-CB 4.16Å; L354-H386 HydrophobicContact CD2-CB 3.98Å; L354-H386 HydrophobicContact CG-CB 4.44Å; N355-H386 PolarHBondContact OD1-CD2 3.19Å; N355-H386 VanDerWaalsContact OD1-CD2 3.28Å; N355-H386 PolarHBondContact OD1-NE2 3.41Å; A358-H386 WeakPolarHBondContact CB-CE1 3.48Å; A358-H386 WeakPolarHBondContact CB-ND1 3.03Å; H386-C388 VanDerWaalsContact CE1-SG 3.54Å; H386-C388 PolarHBondContact ND1-N 2.9Å; H386-C388 PolarHBondContact O-N 2.78Å; H386-C388 VanDerWaalsContact O-N 3.16Å; H386-L389 HydrophobicContact CB-CB 4.36Å; H386-L389 HydrophobicContact CB-CD1 4.15Å; H386-L389 HydrophobicContact CB-CG 4.32Å; H386-L389 PolarHBondContact O-N 3.08Å; H386-F416 AromaticContact NE2-CE2 3.91Å
387P93.9Very high92.9Very high29 Ų2949.4 Ų49.419%0.18824%0.238CC..THydrogen-bonded Turntrans-59-34-173.822.7-34.8000113.5W385 L389 Q414 D420 S423W385-P387 HydrophobicContact CH2-CB 3.68Å; W385-P387 HydrophobicContact CH2-CG 4.25Å; W385-P387 HydrophobicContact CZ2-CB 4.05Å; W385-P387 HydrophobicContact CZ3-CB 4.38Å; W385-P387 HydrophobicContact CZ3-CG 4.49Å; P387-L389 VanDerWaalsContact C-N 3.26Å; P387-L389 PolarHBondContact O-N 3.31Å; P387-Q414 VanDerWaalsContact C-NE2 3.3Å; P387-Q414 PolarHBondContact O-NE2 3.25Å; P387-Q414 VanDerWaalsContact O-NE2 3.17Å; P387-D420 HydrophobicContact CG-CB 4.19Å; P387-S423 WeakPolarHBondContact CD-OG 3.41Å
388C96.5Very high93.1Very high0 Ų052.1 Ų52.10%025%0.248CC..THydrogen-bonded Turntrans-74-11.2178.1-53.80000115.8A358 H386 K412 V413 Q414 K415A358-C388 HydrophobicContact CB-CB 3.88Å; H386-C388 VanDerWaalsContact CE1-SG 3.54Å; H386-C388 PolarHBondContact ND1-N 2.9Å; H386-C388 PolarHBondContact O-N 2.78Å; H386-C388 VanDerWaalsContact O-N 3.16Å; C388-K412 WeakPolarHBondContact O-CA 3.48Å; C388-V413 PolarHBondContact O-N 3.48Å; C388-Q414 VanDerWaalsContact CA-CG 3.47Å; C388-Q414 HydrophobicContact CB-CG 3.97Å; C388-K415 PolarHBondContact SG-O 3.22Å
389L97.5Very high93.1Very high7 Ų754.4 Ų54.44%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-120.5128-169.6-61.9179.3000110.4L354 A357 A358 L367 H386 P387 M410 E411 K412L354-L389 HydrophobicContact CB-CD1 4.26Å; L354-L389 HydrophobicContact CG-CD1 3.98Å; A357-L389 HydrophobicContact CB-CD1 4.31Å; A358-L389 HydrophobicContact CB-CG 4.49Å; L367-L389 HydrophobicContact CD2-CD1 4.27Å; H386-L389 HydrophobicContact CB-CB 4.36Å; H386-L389 HydrophobicContact CB-CD1 4.15Å; H386-L389 HydrophobicContact CB-CG 4.32Å; H386-L389 PolarHBondContact O-N 3.08Å; P387-L389 VanDerWaalsContact C-N 3.26Å; P387-L389 PolarHBondContact O-N 3.31Å; L389-M410 HydrophobicContact CB-CB 4.22Å; L389-M410 HydrophobicContact CB-SD 4.19Å; L389-M410 HydrophobicContact CD1-SD 4.16Å; L389-E411 WeakPolarHBondContact CA-O 3.09Å; L389-K412 HydrophobicContact CD2-CB 3.96Å; L389-K412 HydrophobicContact CD2-CG 4.41Å
390K97.7Very high93Very high128 Ų12853.2 Ų53.256%0.55726%0.257SS*.EExtended strand (participates in β ladder)trans-101.2128.7174.5-177.7178178.3179.60110I392 M410 E411 V413K390-I392 HydrophobicContact CG-CD1 4.48Å; K390-I392 PolarHBondContact O-N 2.93Å; K390-M410 CarbonylContact O-C 3.22Å; K390-M410 WeakPolarHBondContact O-CA 3.37Å; K390-E411 PolarHBondContact N-O 3.25Å; K390-E411 PolarHBondContact O-N 3.47Å; K390-V413 HydrophobicContact CB-CG1 3.65Å; K390-V413 HydrophobicContact CB-CG2 4.13Å; K390-V413 HydrophobicContact CD-CG1 4.25Å
391L97.7Very high92.8Very high75 Ų7550.7 Ų50.739%0.39325%0.254SS..EExtended strand (participates in β ladder)trans-64.2124.9171.3-176.564.7000110.4V383 I408 M410V383-L391 HydrophobicContact CG1-CD1 4.34Å; L391-I408 HydrophobicContact CD1-CG2 3.66Å; L391-M410 HydrophobicContact CD1-CE 4.43Å; L391-M410 HydrophobicContact CD1-CG 4.35Å
392I97.1Very high92.7Very high64 Ų6447.7 Ų47.733%0.32824%0.24SC..EExtended strand (participates in β ladder)trans-103.6-42.8179.3-59.4-55.4000111.4K390 T409 E411K390-I392 HydrophobicContact CG-CD1 4.48Å; K390-I392 PolarHBondContact O-N 2.93Å; I392-T409 WeakPolarHBondContact CA-O 3.34Å; I392-T409 HydrophobicContact CB-CG2 4.11Å; I392-T409 WeakPolarHBondContact CB-O 3.31Å; I392-T409 HydrophobicContact CG2-CG2 4.42Å; I392-T409 PolarHBondContact N-O 3.09Å; I392-E411 HydrophobicContact CD1-CB 3.79Å; I392-E411 HydrophobicContact CG1-CB 3.65Å
393S96.9Very high92.8Very high13 Ų1346.8 Ų46.89%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-155.2153.917964.20000112.5T409S393-T409 PolarHBondContact N-O 2.67Å; S393-T409 PolarHBondContact O-N 2.87Å; S393-T409 VanDerWaalsContact OG-CB 3.3Å; S393-T409 WeakPolarHBondContact OG-CB 3.38Å; S393-T409 PolarHBondContact OG-OG1 3.44Å
394N96.9Very high92.8Very high29 Ų2946.2 Ų46.216%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-139.592.1-179.7-176.7-7.9000109.7Y378 V383 R406 I408Y378-N394 PolarHBondContact OH-ND2 2.94Å; Y378-N394 PolarHBondContact OH-OD1 3.19Å; V383-N394 WeakPolarHBondContact CG2-ND2 3.11Å; N394-R406 WeakPolarHBondContact OD1-CB 3.49Å; N394-R406 WeakPolarHBondContact OD1-CD 3.5Å; N394-I408 HydrophobicContact CB-CD1 4.06Å; N394-I408 WeakPolarHBondContact OD1-CD1 3.47Å
395C95.8Very high93Very high2 Ų247.1 Ų47.11%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-102.2131.2-172.3-56.70000111.8E20 F21 P24 R406 L407E20-C395 HydrophobicContact CB-CB 4.21Å; E20-C395 PolarHBondContact O-SG 3.4Å; F21-C395 HydrophobicContact CD1-CB 3.67Å; F21-C395 HydrophobicContact CE1-CB 3.49Å; F21-C395 VanDerWaalsContact CE1-CB 3.49Å; F21-C395 HydrophobicContact CG-CB 4.37Å; F21-C395 HydrophobicContact CZ-CB 4.07Å; P24-C395 VanDerWaalsContact CG-SG 3.55Å; C395-R406 CarbonylContact O-C 3.2Å; C395-R406 VanDerWaalsContact O-CA 3.27Å; C395-R406 WeakPolarHBondContact O-CA 3.38Å; C395-L407 HydrophobicContact CB-CB 4.23Å; C395-L407 PolarHBondContact N-O 2.93Å; C395-L407 PolarHBondContact O-N 2.87Å
396E95.4Very high93.3Very high29 Ų2943 Ų4314%0.13622%0.219CC..EExtended strand (participates in β ladder)trans-81.8133.7176-164.6171.5-131.400113.6E20 K398 S404 R406E20-E396 HydrophobicContact CG-CB 4.38Å; E396-K398 HydrophobicContact CG-CG 4.26Å; E396-K398 WeakPolarHBondContact OE2-CE 3.26Å; E396-S404 VanDerWaalsContact OE1-CB 3.26Å; E396-S404 WeakPolarHBondContact OE1-CB 3.32Å; E396-S404 PolarHBondContact OE1-OG 2.91Å; E396-R406 IonicContact OE1-CZ 3.69Å; E396-R406 IonicContact OE1-NE 2.77Å; E396-R406 IonicContact OE1-NH2 3.51Å; E396-R406 PolarHBondContact OE1-NH2 3.23Å; E396-R406 IonicContact OE2-NH2 3.69Å
397Q94.8Very high93.6Very high35 Ų3542.9 Ų42.916%0.16422%0.219CC..EExtended strand (participates in β ladder)trans-115.7114.3154.4-173.3175.537.500110.1F21 W370 L399 S404 R405F21-Q397 HydrophobicContact CE2-CB 4.4Å; F21-Q397 HydrophobicContact CZ-CB 3.99Å; W370-Q397 HydrophobicContact CH2-CB 3.97Å; W370-Q397 HydrophobicContact CZ3-CB 3.84Å; Q397-L399 PolarHBondContact O-N 2.64Å; Q397-S404 CarbonylContact O-C 3.57Å; Q397-S404 VanDerWaalsContact O-CA 3.31Å; Q397-S404 WeakPolarHBondContact O-CA 3.1Å; Q397-S404 VanDerWaalsContact O-CB 3.26Å; Q397-S404 WeakPolarHBondContact O-CB 3.36Å; Q397-R405 HydrophobicContact CB-CG 4.09Å; Q397-R405 PolarHBondContact N-O 3.01Å; Q397-R405 PolarHBondContact O-N 3.11Å
398K92.1Very high93.8Very high151 Ų15141.5 Ų41.566%0.65721%0.21SC*.EExtended strand (participates in β ladder)trans-69.9127.2172.2-64.3-173.7178.7-175.30110.1E396E396-K398 HydrophobicContact CG-CG 4.26Å; E396-K398 WeakPolarHBondContact OE2-CE 3.26Å
399L88Confident93.9Very high79 Ų7941.5 Ų41.541%0.41421%0.21SC..SBendtrans-100.8-36.5174.5-59.9178.2000110.7Q397 T403 R405Q397-L399 PolarHBondContact O-N 2.64Å; L399-T403 PolarHBondContact N-O 2.74Å; L399-R405 HydrophobicContact CD1-CB 4.31Å; L399-R405 HydrophobicContact CD1-CG 4.09Å; L399-R405 HydrophobicContact CD2-CG 4.2Å; L399-R405 HydrophobicContact CG-CG 4.18Å
400S87.4Confident94Very high44 Ų4441.5 Ų41.531%0.30821%0.209SC..SBendtrans-147.5-170.2173.6800000110.6H402 T403S400-H402 VanDerWaalsContact C-N 3.31Å; S400-H402 PolarHBondContact O-N 2.67Å; S400-H402 PolarHBondContact OG-N 3.41Å; S400-T403 PolarHBondContact N-O 3.04Å; S400-T403 PolarHBondContact OG-N 3.12Å; S400-T403 VanDerWaalsContact OG-N 3.15Å; S400-T403 PolarHBondContact OG-OG1 3.03Å
401S83.4Confident94Very high84 Ų8437.4 Ų37.459%0.58719%0.192SC*.SBendtrans-67.8-25.3175.546.20000114.5
402H85.4Confident94Very high71 Ų7134.1 Ų34.133%0.32918%0.175SC..SBendtrans-122.8-3.7-176-52.889.5000113.1Y374 T375 P376 S400Y374-H402 HydrophobicContact CD2-CB 4.41Å; Y374-H402 WeakPolarHBondContact CD2-O 3.47Å; Y374-H402 HydrophobicContact CE2-CB 3.8Å; T375-H402 PolarHBondContact N-O 3.44Å; T375-H402 PolarHBondContact OG1-O 2.58Å; P376-H402 WeakPolarHBondContact CD-O 3.3Å; P376-H402 HydrophobicContact CG-CB 4.43Å; S400-H402 VanDerWaalsContact C-N 3.31Å; S400-H402 PolarHBondContact O-N 2.67Å; S400-H402 PolarHBondContact OG-N 3.41Å
403T87.8Confident94.1Very high3 Ų334.6 Ų34.62%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-131.5131.9-177.561.90000110.1Y374 L399 S400 F439 Y443Y374-T403 HydrophobicContact CD2-CG2 4.27Å; L399-T403 PolarHBondContact N-O 2.74Å; S400-T403 PolarHBondContact N-O 3.04Å; S400-T403 PolarHBondContact OG-N 3.12Å; S400-T403 VanDerWaalsContact OG-N 3.15Å; S400-T403 PolarHBondContact OG-OG1 3.03Å; T403-F439 HydrophobicContact CG2-CE2 4.46Å; T403-Y443 HydrophobicContact CG2-CD2 3.68Å; T403-Y443 HydrophobicContact CG2-CE2 4.35Å; T403-Y443 HydrophobicContact CG2-CG 4.45Å
404S92.5Very high94Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-133.4170.817349.80000109.2V373 T375 E396 Q397V373-S404 WeakPolarHBondContact CG2-O 3.44Å; V373-S404 WeakPolarHBondContact CG2-OG 3.45Å; V373-S404 PolarHBondContact N-O 3.48Å; V373-S404 PolarHBondContact O-N 3.34Å; V373-S404 VanDerWaalsContact O-N 3.09Å; T375-S404 PolarHBondContact OG1-N 3.34Å; T375-S404 PolarHBondContact OG1-OG 3.19Å; T375-S404 VanDerWaalsContact OG1-OG 3.09Å; E396-S404 VanDerWaalsContact OE1-CB 3.26Å; E396-S404 WeakPolarHBondContact OE1-CB 3.32Å; E396-S404 PolarHBondContact OE1-OG 2.91Å; Q397-S404 CarbonylContact O-C 3.57Å; Q397-S404 VanDerWaalsContact O-CA 3.31Å; Q397-S404 WeakPolarHBondContact O-CA 3.1Å; Q397-S404 VanDerWaalsContact O-CB 3.26Å; Q397-S404 WeakPolarHBondContact O-CB 3.36Å
405R94.1Very high93.9Very high27 Ų2744.2 Ų44.210%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-125.3147.116457.7176.1-177.2176.55.3108.7L203 D308 Y311 W370 L371 Q397 L399L203-R405 VanDerWaalsContact CD1-NH2 3.3Å; D308-R405 IonicContact OD2-NH1 2.88Å; D308-R405 PolarHBondContact OD2-NH1 3.42Å; Y311-R405 WeakPolarHBondContact OH-CD 3.44Å; Y311-R405 PolarHBondContact OH-NH1 3.26Å; W370-R405 HydrophobicContact CD2-CG 4.24Å; W370-R405 HydrophobicContact CE3-CB 3.95Å; W370-R405 HydrophobicContact CE3-CG 3.49Å; W370-R405 VanDerWaalsContact CE3-CG 3.49Å; W370-R405 HydrophobicContact CZ3-CG 3.73Å; L371-R405 CarbonylContact O-C 3.48Å; L371-R405 VanDerWaalsContact O-CA 3.25Å; L371-R405 WeakPolarHBondContact O-CA 3.47Å; Q397-R405 HydrophobicContact CB-CG 4.09Å; Q397-R405 PolarHBondContact N-O 3.01Å; Q397-R405 PolarHBondContact O-N 3.11Å; L399-R405 HydrophobicContact CD1-CB 4.31Å; L399-R405 HydrophobicContact CD1-CG 4.09Å; L399-R405 HydrophobicContact CD2-CG 4.2Å; L399-R405 HydrophobicContact CG-CG 4.18Å
406R96.4Very high93.8Very high31 Ų3145.8 Ų45.812%0.11723%0.228CC..EExtended strand (participates in β ladder)trans-106.9123.7-179.9-61.9-64.1178.2150.5-9.9109W370 L371 V373 Y378 N394 C395 E396 I408W370-R406 CarbonylContact C-O 3.54Å; W370-R406 WeakPolarHBondContact CA-O 3.15Å; L371-R406 HydrophobicContact CB-CB 4.35Å; L371-R406 PolarHBondContact N-O 3.21Å; L371-R406 PolarHBondContact O-N 3.18Å; V373-R406 HydrophobicContact CG1-CG 3.87Å; V373-R406 HydrophobicContact CG2-CG 4Å; Y378-R406 HydrophobicContact CE1-CG 4.49Å; Y378-R406 VanDerWaalsContact CE1-CZ 3.48Å; Y378-R406 HydrophobicContact CE2-CG 4.15Å; N394-R406 WeakPolarHBondContact OD1-CB 3.49Å; N394-R406 WeakPolarHBondContact OD1-CD 3.5Å; C395-R406 CarbonylContact O-C 3.2Å; C395-R406 VanDerWaalsContact O-CA 3.27Å; C395-R406 WeakPolarHBondContact O-CA 3.38Å; E396-R406 IonicContact OE1-CZ 3.69Å; E396-R406 IonicContact OE1-NE 2.77Å; E396-R406 IonicContact OE1-NH2 3.51Å; E396-R406 PolarHBondContact OE1-NH2 3.23Å; E396-R406 IonicContact OE2-NH2 3.69Å; R406-I408 HydrophobicContact CB-CD1 3.76Å; R406-I408 HydrophobicContact CB-CG1 4.32Å; R406-I408 PolarHBondContact O-N 3.04Å
407L98.1Very high93.5Very high0 Ų048.8 Ų48.80%024%0.241CC..EExtended strand (participates in β ladder)trans-80.7108.6168.8-176.166.2000107.6F21 I206 M207 V368 W370 C395F21-L407 HydrophobicContact CD1-CB 4.45Å; F21-L407 HydrophobicContact CD1-CD2 3.8Å; F21-L407 HydrophobicContact CE1-CB 3.71Å; F21-L407 HydrophobicContact CE1-CD2 3.78Å; F21-L407 HydrophobicContact CE1-CG 4.4Å; I206-L407 HydrophobicContact CG2-CD2 4.2Å; M207-L407 HydrophobicContact CE-CD1 3.98Å; M207-L407 HydrophobicContact CG-CD1 3.72Å; M207-L407 HydrophobicContact CG-CD2 4.14Å; M207-L407 HydrophobicContact SD-CD1 4.17Å; V368-L407 HydrophobicContact CG1-CD1 3.72Å; V368-L407 HydrophobicContact CG1-CG 4.27Å; W370-L407 HydrophobicContact CD2-CB 4.25Å; W370-L407 HydrophobicContact CD2-CD1 3.93Å; W370-L407 HydrophobicContact CE3-CB 3.79Å; W370-L407 HydrophobicContact CE3-CD1 4.33Å; W370-L407 HydrophobicContact CG-CD1 4.33Å; W370-L407 HydrophobicContact CH2-CB 3.74Å; W370-L407 HydrophobicContact CH2-CD1 4.48Å; W370-L407 HydrophobicContact CH2-CG 4.5Å; W370-L407 HydrophobicContact CZ2-CB 4.16Å; W370-L407 HydrophobicContact CZ2-CD1 4.05Å; W370-L407 HydrophobicContact CZ2-CD2 4.48Å; W370-L407 HydrophobicContact CZ2-CG 4.47Å; W370-L407 HydrophobicContact CZ3-CB 3.53Å; C395-L407 HydrophobicContact CB-CB 4.23Å; C395-L407 PolarHBondContact N-O 2.93Å; C395-L407 PolarHBondContact O-N 2.87Å
408I98.3Very high93Very high0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-96.8131.3-179.6-55.1-56.1000108.3V368 Y369 L371 V383 L391 N394 R406 M410V368-I408 WeakPolarHBondContact CA-O 3.47Å; Y369-I408 HydrophobicContact CD1-CB 4.01Å; Y369-I408 HydrophobicContact CD1-CG2 4.26Å; Y369-I408 HydrophobicContact CD2-CB 4.34Å; Y369-I408 HydrophobicContact CE1-CB 3.61Å; Y369-I408 HydrophobicContact CE1-CG1 4.47Å; Y369-I408 HydrophobicContact CE1-CG2 3.46Å; Y369-I408 VanDerWaalsContact CE1-CG2 3.46Å; Y369-I408 HydrophobicContact CE2-CB 3.98Å; Y369-I408 HydrophobicContact CE2-CG1 4.02Å; Y369-I408 HydrophobicContact CE2-CG2 4.43Å; Y369-I408 HydrophobicContact CG-CB 4.41Å; Y369-I408 PolarHBondContact N-O 2.9Å; Y369-I408 PolarHBondContact O-N 3.29Å; L371-I408 HydrophobicContact CB-CG1 3.96Å; L371-I408 HydrophobicContact CD2-CG1 4.37Å; V383-I408 HydrophobicContact CG1-CD1 4.11Å; V383-I408 HydrophobicContact CG1-CG1 4.37Å; V383-I408 HydrophobicContact CG1-CG2 4.09Å; V383-I408 HydrophobicContact CG2-CD1 4Å; L391-I408 HydrophobicContact CD1-CG2 3.66Å; N394-I408 HydrophobicContact CB-CD1 4.06Å; N394-I408 WeakPolarHBondContact OD1-CD1 3.47Å; R406-I408 HydrophobicContact CB-CD1 3.76Å; R406-I408 HydrophobicContact CB-CG1 4.32Å; R406-I408 PolarHBondContact O-N 3.04Å; I408-M410 HydrophobicContact CG2-CE 3.72Å; I408-M410 HydrophobicContact CG2-CG 4.06Å; I408-M410 HydrophobicContact CG2-SD 4.48Å
409T98.7Very high92.6Very high0 Ų053.6 Ų53.60%026%0.262CS..EExtended strand (participates in β ladder)trans-120.9124.3171.4-56.90000108.4H210 L367 V368 I392 S393H210-T409 HydrophobicContact CB-CG2 4.46Å; H210-T409 PolarHBondContact ND1-OG1 3.09Å; L367-T409 WeakPolarHBondContact O-CA 3.49Å; V368-T409 HydrophobicContact CG2-CG2 4.09Å; I392-T409 WeakPolarHBondContact CA-O 3.34Å; I392-T409 HydrophobicContact CB-CG2 4.11Å; I392-T409 WeakPolarHBondContact CB-O 3.31Å; I392-T409 HydrophobicContact CG2-CG2 4.42Å; I392-T409 PolarHBondContact N-O 3.09Å; S393-T409 PolarHBondContact N-O 2.67Å; S393-T409 PolarHBondContact O-N 2.87Å; S393-T409 VanDerWaalsContact OG-CB 3.3Å; S393-T409 WeakPolarHBondContact OG-CB 3.38Å; S393-T409 PolarHBondContact OG-OG1 3.44Å
410M98.6Very high92.3Very high6 Ų650.5 Ų50.53%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-123.1147.6176.1-66.3175177.300110.1L354 R366 L367 Y369 V383 P384 L389 K390 L391 I408L354-M410 HydrophobicContact CD2-CE 4.23Å; L354-M410 HydrophobicContact CD2-SD 4.16Å; L354-M410 HydrophobicContact CG-SD 4.25Å; R366-M410 CarbonylContact C-O 3.5Å; R366-M410 VanDerWaalsContact CA-O 3.22Å; R366-M410 WeakPolarHBondContact CA-O 3.37Å; L367-M410 HydrophobicContact CB-CB 4.44Å; L367-M410 PolarHBondContact N-O 3.46Å; L367-M410 PolarHBondContact O-N 3.12Å; Y369-M410 HydrophobicContact CE1-CE 4.19Å; Y369-M410 HydrophobicContact CE1-SD 4.1Å; Y369-M410 WeakPolarHBondContact OH-CE 3.06Å; V383-M410 HydrophobicContact CG1-CE 3.85Å; P384-M410 WeakPolarHBondContact O-CE 3.12Å; L389-M410 HydrophobicContact CB-CB 4.22Å; L389-M410 HydrophobicContact CB-SD 4.19Å; L389-M410 HydrophobicContact CD1-SD 4.16Å; K390-M410 CarbonylContact O-C 3.22Å; K390-M410 WeakPolarHBondContact O-CA 3.37Å; L391-M410 HydrophobicContact CD1-CE 4.43Å; L391-M410 HydrophobicContact CD1-CG 4.35Å; I408-M410 HydrophobicContact CG2-CE 3.72Å; I408-M410 HydrophobicContact CG2-CG 4.06Å; I408-M410 HydrophobicContact CG2-SD 4.48Å
411E98.5Very high91.9Very high42 Ų4252 Ų5220%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-118.3135.2177.7-166.9170.5100.500109.7K212 R366 L389 K390 I392 V413K212-E411 IonicContact NZ-OE2 3.76Å; R366-E411 HydrophobicContact CG-CB 4.19Å; R366-E411 HydrophobicContact CG-CG 4.1Å; R366-E411 IonicContact CZ-OE2 3.2Å; R366-E411 IonicContact NE-OE2 3.25Å; R366-E411 PolarHBondContact NE-OE2 3.24Å; R366-E411 IonicContact NH2-OE2 3.27Å; R366-E411 PolarHBondContact NH2-OE2 3.39Å; L389-E411 WeakPolarHBondContact CA-O 3.09Å; K390-E411 PolarHBondContact N-O 3.25Å; K390-E411 PolarHBondContact O-N 3.47Å; I392-E411 HydrophobicContact CD1-CB 3.79Å; I392-E411 HydrophobicContact CG1-CB 3.65Å; E411-V413 PolarHBondContact O-N 3.23Å
412K98.4Very high91.6Very high6 Ų654.5 Ų54.53%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-75.4114.5177.1-175.6173.8170.6173.50110.1A358 L361 L363 G364 G365 C388 L389 Q414A358-K412 WeakPolarHBondContact O-CE 3.18Å; A358-K412 PolarHBondContact O-NZ 2.99Å; L361-K412 HydrophobicContact CB-CB 4.29Å; L361-K412 HydrophobicContact CB-CD 3.83Å; L361-K412 VanDerWaalsContact O-CD 3.23Å; L361-K412 WeakPolarHBondContact O-CD 3.27Å; L361-K412 WeakPolarHBondContact O-CE 3.19Å; L361-K412 PolarHBondContact O-NZ 3.44Å; L363-K412 HydrophobicContact CD2-CG 4.32Å; G364-K412 PolarHBondContact N-O 3.03Å; G365-K412 PolarHBondContact O-N 3.4Å; C388-K412 WeakPolarHBondContact O-CA 3.48Å; L389-K412 HydrophobicContact CD2-CB 3.96Å; L389-K412 HydrophobicContact CD2-CG 4.41Å; K412-Q414 VanDerWaalsContact CE-O 3.27Å; K412-Q414 WeakPolarHBondContact CE-O 3.49Å; K412-Q414 WeakPolarHBondContact CG-O 3.42Å
413V97.9Very high91.1Very high75 Ų7551.9 Ų51.946%0.45524%0.235SC..  trans-107.4-14.2-173.3-66.20000114C388 K390 E411C388-V413 PolarHBondContact O-N 3.48Å; K390-V413 HydrophobicContact CB-CG1 3.65Å; K390-V413 HydrophobicContact CB-CG2 4.13Å; K390-V413 HydrophobicContact CD-CG1 4.25Å; E411-V413 PolarHBondContact O-N 3.23Å
414Q95.6Very high90.2Very high85 Ų8553 Ų5340%0.39724%0.24SC..SBendtrans-144.9162177.358.7178.335.500111.3L363 P387 C388 K412L363-Q414 VanDerWaalsContact CD2-C 3.43Å; P387-Q414 VanDerWaalsContact C-NE2 3.3Å; P387-Q414 PolarHBondContact O-NE2 3.25Å; P387-Q414 VanDerWaalsContact O-NE2 3.17Å; C388-Q414 VanDerWaalsContact CA-CG 3.47Å; C388-Q414 HydrophobicContact CB-CG 3.97Å; K412-Q414 VanDerWaalsContact CE-O 3.27Å; K412-Q414 WeakPolarHBondContact CE-O 3.49Å; K412-Q414 WeakPolarHBondContact CG-O 3.42Å
415K94.3Very high89.1Confident159 Ų15958.6 Ų58.669%0.69127%0.27SS*.  trans-70151176.9-66-176.4179.8179.10109.7L363 C388L363-K415 HydrophobicContact CD1-CG 4.05Å; L363-K415 HydrophobicContact CD2-CG 4.37Å; L363-K415 HydrophobicContact CG-CG 4.45Å; C388-K415 PolarHBondContact SG-O 3.22Å
416F93.1Very high87.7Confident35 Ų3564.9 Ų64.915%0.15430%0.304CS..  trans-85.2135.1176.5178.9-98.7000110.3A358 E359 H386 D420 Q421A358-F416 HydrophobicContact CB-CD2 3.78Å; A358-F416 HydrophobicContact CB-CE2 4.33Å; A358-F416 WeakPolarHBondContact O-CB 3.39Å; E359-F416 HydrophobicContact CB-CD1 3.99Å; E359-F416 HydrophobicContact CB-CE1 4.15Å; E359-F416 HydrophobicContact CB-CG 4.23Å; E359-F416 HydrophobicContact CG-CD1 3.96Å; E359-F416 HydrophobicContact CG-CE1 4.13Å; H386-F416 AromaticContact NE2-CE2 3.91Å; F416-D420 HydrophobicContact CD2-CB 3.96Å; F416-D420 HydrophobicContact CE2-CB 3.84Å; F416-Q421 HydrophobicContact CZ-CB 4.12Å
417E90.6Very high86.2Confident91 Ų9164.5 Ų64.543%0.42531%0.307SS..  trans-119.3153.5172.9-62.3-177.9-164.600110.3R419 D420E417-R419 HydrophobicContact CB-CG 4.12Å; E417-R419 VanDerWaalsContact CD-NH2 3.28Å; E417-R419 PolarHBondContact O-N 3.15Å; E417-R419 IonicContact OE1-NH2 2.72Å; E417-R419 PolarHBondContact OE1-NH2 2.89Å; E417-R419 IonicContact OE2-CZ 3.82Å; E417-R419 IonicContact OE2-NE 2.85Å; E417-R419 PolarHBondContact OE2-NE 2.75Å; E417-R419 VanDerWaalsContact OE2-NE 3.07Å; E417-R419 IonicContact OE2-NH1 3.83Å; E417-R419 PolarHBondContact OE2-NH1 3.11Å; E417-R419 IonicContact OE2-NH2 3.7Å; E417-R419 PolarHBondContact OE2-NH2 3.26Å; E417-D420 PolarHBondContact N-OD2 3.37Å; E417-D420 VanDerWaalsContact O-CB 3.28Å; E417-D420 WeakPolarHBondContact O-CB 3.3Å; E417-D420 PolarHBondContact O-N 3.21Å
418N84.2Confident84.6Confident111 Ų11171 Ų7159%0.59434%0.341SS*.G310 helixtrans-58-26.3-177-70.4-44.4000113.6K298 D420K298-N418 PolarHBondContact NZ-OD1 2.98Å; N418-D420 PolarHBondContact O-N 2.9Å
419R82.7Confident83.1Confident176 Ų17675.2 Ų75.266%0.66436%0.361SS*.G310 helixtrans-66.9-26.1175.467.7179.3179.3-145.2-11.3112.9E417 Q421E417-R419 HydrophobicContact CB-CG 4.12Å; E417-R419 VanDerWaalsContact CD-NH2 3.28Å; E417-R419 PolarHBondContact O-N 3.15Å; E417-R419 IonicContact OE1-NH2 2.72Å; E417-R419 PolarHBondContact OE1-NH2 2.89Å; E417-R419 IonicContact OE2-CZ 3.82Å; E417-R419 IonicContact OE2-NE 2.85Å; E417-R419 PolarHBondContact OE2-NE 2.75Å; E417-R419 VanDerWaalsContact OE2-NE 3.07Å; E417-R419 IonicContact OE2-NH1 3.83Å; E417-R419 PolarHBondContact OE2-NH1 3.11Å; E417-R419 IonicContact OE2-NH2 3.7Å; E417-R419 PolarHBondContact OE2-NH2 3.26Å; R419-Q421 VanDerWaalsContact C-N 3.27Å; R419-Q421 PolarHBondContact O-N 3.27Å
420D82.3Confident81.6Confident14 Ų1477.1 Ų77.18%0.07537%0.369CS..G310 helixtrans-73.3-23.1-175.2-57.7-35.5000111.6P387 F416 E417 N418 Y422 S423P387-D420 HydrophobicContact CG-CB 4.19Å; F416-D420 HydrophobicContact CD2-CB 3.96Å; F416-D420 HydrophobicContact CE2-CB 3.84Å; E417-D420 PolarHBondContact N-OD2 3.37Å; E417-D420 VanDerWaalsContact O-CB 3.28Å; E417-D420 WeakPolarHBondContact O-CB 3.3Å; E417-D420 PolarHBondContact O-N 3.21Å; N418-D420 PolarHBondContact O-N 2.9Å; D420-Y422 PolarHBondContact O-N 2.98Å; D420-S423 VanDerWaalsContact O-CB 3.3Å; D420-S423 WeakPolarHBondContact O-CB 3.46Å; D420-S423 PolarHBondContact O-N 2.89Å; D420-S423 PolarHBondContact O-OG 3.18Å; D420-S423 VanDerWaalsContact O-OG 3.06Å
421Q78.4Confident80Confident76 Ų7682.5 Ų82.536%0.35540%0.397SS..G310 helixtrans-53.8-32.6178.4-172.9171.74.100113.3F416 R419 H424F416-Q421 HydrophobicContact CZ-CB 4.12Å; R419-Q421 VanDerWaalsContact C-N 3.27Å; R419-Q421 PolarHBondContact O-N 3.27Å; Q421-H424 PolarHBondContact O-CE1 3.45Å; Q421-H424 VanDerWaalsContact O-CE1 3.25Å; Q421-H424 PolarHBondContact O-ND1 3.22Å
422Y78.4Confident78.2Confident136 Ų13682.7 Ų82.753%0.53340%0.403SS..G310 helixtrans-107.211.7-177.7-56.7-71.5000113.2D420 H424 L425D420-Y422 PolarHBondContact O-N 2.98Å; Y422-H424 PolarHBondContact O-N 3.23Å; Y422-H424 VanDerWaalsContact O-N 3.14Å; Y422-L425 HydrophobicContact CD1-CD1 4.13Å; Y422-L425 WeakPolarHBondContact O-CB 3.44Å; Y422-L425 PolarHBondContact O-N 3Å
423S74.1Confident76.8Confident16 Ų1682.6 Ų82.611%0.11240%0.402CS..G310 helixtrans-60.2-29.3-175.567.80000113.1P387 D420 L425 L426 S427P387-S423 WeakPolarHBondContact CD-OG 3.41Å; D420-S423 VanDerWaalsContact O-CB 3.3Å; D420-S423 WeakPolarHBondContact O-CB 3.46Å; D420-S423 PolarHBondContact O-N 2.89Å; D420-S423 PolarHBondContact O-OG 3.18Å; D420-S423 VanDerWaalsContact O-OG 3.06Å; S423-L425 VanDerWaalsContact C-N 3.28Å; S423-L425 PolarHBondContact O-N 3.42Å; S423-L426 PolarHBondContact O-N 2.69Å; S423-S427 PolarHBondContact O-N 2.75Å
424H69.7Low75.2Confident26 Ų2683.4 Ų83.412%0.1240%0.401CS..G310 helixtrans-63.3-29.6176.863.5-83.1000113.3L351 Q421 Y422 L426 S427 F430L351-H424 HydrophobicContact CD1-CB 3.52Å; L351-H424 VanDerWaalsContact CD1-CG 3.44Å; L351-H424 HydrophobicContact CD2-CB 4.43Å; L351-H424 WeakPolarHBondContact CD2-CD2 3.4Å; L351-H424 WeakPolarHBondContact CD2-NE2 3.25Å; Q421-H424 PolarHBondContact O-CE1 3.45Å; Q421-H424 VanDerWaalsContact O-CE1 3.25Å; Q421-H424 PolarHBondContact O-ND1 3.22Å; Y422-H424 PolarHBondContact O-N 3.23Å; Y422-H424 VanDerWaalsContact O-N 3.14Å; H424-L426 PolarHBondContact O-N 2.77Å; H424-S427 PolarHBondContact O-N 3.28Å; H424-F430 HydrophobicContact CB-CD2 4.33Å; H424-F430 WeakPolarHBondContact O-CB 3.18Å
425L68.3Low73.8Confident118 Ų11880.8 Ų80.862%0.61840%0.397SS*.G310 helixtrans-71.9-20.4177.8-61.4179.1000112.6Y422 S423Y422-L425 HydrophobicContact CD1-CD1 4.13Å; Y422-L425 WeakPolarHBondContact O-CB 3.44Å; Y422-L425 PolarHBondContact O-N 3Å; S423-L425 VanDerWaalsContact C-N 3.28Å; S423-L425 PolarHBondContact O-N 3.42Å
426L64.3Low72.7Confident159 Ų15973.6 Ų73.683%0.83237%0.366SS*.G310 helixtrans-100.20-177.6-61.3173000112.4S423 H424S423-L426 PolarHBondContact O-N 2.69Å; H424-L426 PolarHBondContact O-N 2.77Å
427S66.8Low71.8Confident23 Ų2374.5 Ų74.516%0.16137%0.372CS..  trans-115.2126.6-169.2164.90000111.6S423 H424 H429 F430S423-S427 PolarHBondContact O-N 2.75Å; H424-S427 PolarHBondContact O-N 3.28Å; S427-H429 PolarHBondContact O-N 2.77Å; S427-H429 VanDerWaalsContact O-N 3.1Å; S427-H429 WeakPolarHBondContact OG-CB 3.09Å; S427-H429 PolarHBondContact OG-CD2 3.4Å; S427-H429 PolarHBondContact OG-N 3.26Å; S427-F430 PolarHBondContact O-N 3.15Å; S427-F430 VanDerWaalsContact O-N 3.11Å
428D64.4Low71.2Confident136 Ų13671.6 Ų71.673%0.72736%0.362SS*.THydrogen-bonded Turntrans-60.1-22.4174.9-65.2-33000112.8F430 L431 P432D428-F430 PolarHBondContact O-N 3.47Å; D428-F430 VanDerWaalsContact O-N 3.12Å; D428-L431 PolarHBondContact O-N 2.64Å; D428-P432 WeakPolarHBondContact O-CD 3.44Å
429H66.1Low71Confident90 Ų9066.5 Ų66.542%0.41733%0.334SS..THydrogen-bonded Turntrans-60.7-18.4174.8-65.4-72.3000114.6W385 S427W385-H429 HydrophobicContact CB-CB 4.41Å; S427-H429 PolarHBondContact O-N 2.77Å; S427-H429 VanDerWaalsContact O-N 3.1Å; S427-H429 WeakPolarHBondContact OG-CB 3.09Å; S427-H429 PolarHBondContact OG-CD2 3.4Å; S427-H429 PolarHBondContact OG-N 3.26Å
430F66.3Low70.8Confident40 Ų4064 Ų6418%0.17533%0.325CS..Hα-helixtrans-74.8-32.1-179.9-172.6-114.2000112.8L351 H424 S427 D428 Y433 Q434L351-F430 HydrophobicContact CD2-CE2 4.14Å; H424-F430 HydrophobicContact CB-CD2 4.33Å; H424-F430 WeakPolarHBondContact O-CB 3.18Å; S427-F430 PolarHBondContact O-N 3.15Å; S427-F430 VanDerWaalsContact O-N 3.11Å; D428-F430 PolarHBondContact O-N 3.47Å; D428-F430 VanDerWaalsContact O-N 3.12Å; F430-Y433 PolarHBondContact O-N 3.16Å; F430-Q434 HydrophobicContact CD1-CG 4.49Å; F430-Q434 HydrophobicContact CE1-CG 4.2Å; F430-Q434 HydrophobicContact CZ-CG 4.43Å; F430-Q434 PolarHBondContact O-N 3.34Å
431L64.7Low70.6Confident118 Ų11870.3 Ų70.362%0.61835%0.354SS*.Hα-helixtrans-65.1-48.7-177.5-72166000112.9D428 Y433 Q434D428-L431 PolarHBondContact O-N 2.64Å; L431-Y433 PolarHBondContact O-N 2.88Å; L431-Q434 PolarHBondContact O-N 3.08Å
432P60.9Low70.8Confident47 Ų4768.6 Ų68.631%0.30535%0.346SS..Hα-helixtrans-57.1-34.6172.8-25.133.7000112.9M382 D428 G435M382-P432 HydrophobicContact CG-CB 4.15Å; D428-P432 WeakPolarHBondContact O-CD 3.44Å; P432-G435 PolarHBondContact O-N 3.35Å
433Y68.9Low70.8Confident4 Ų464.7 Ų64.72%0.01633%0.33CS..Hα-helixtrans-72.4-31.8-174.4-173-124.9000113.8L346 S347 F350 L371 M382 P384 F430 L431 G435 H436L346-Y433 PolarHBondContact O-OH 3.41Å; S347-Y433 VanDerWaalsContact O-CE1 3.31Å; S347-Y433 WeakPolarHBondContact O-CE1 3.5Å; F350-Y433 HydrophobicContact CB-CE1 4.08Å; F350-Y433 WeakPolarHBondContact CB-OH 3.26Å; F350-Y433 WeakPolarHBondContact CD2-OH 2.77Å; F350-Y433 WeakPolarHBondContact CG-OH 3.42Å; L371-Y433 HydrophobicContact CD1-CE2 3.98Å; M382-Y433 WeakPolarHBondContact O-CD2 3.35Å; P384-Y433 HydrophobicContact CB-CE1 4.44Å; P384-Y433 HydrophobicContact CG-CD1 4.1Å; P384-Y433 HydrophobicContact CG-CD2 3.76Å; P384-Y433 HydrophobicContact CG-CE1 3.72Å; P384-Y433 HydrophobicContact CG-CE2 3.47Å; P384-Y433 VanDerWaalsContact CG-CE2 3.47Å; P384-Y433 HydrophobicContact CG-CG 4.13Å; P384-Y433 VanDerWaalsContact CG-CZ 3.49Å; F430-Y433 PolarHBondContact O-N 3.16Å; L431-Y433 PolarHBondContact O-N 2.88Å; Y433-G435 PolarHBondContact O-N 3.29Å; Y433-H436 AromaticContact CD2-CD2 3.5Å; Y433-H436 HydrophobicContact CE2-CB 4.07Å; Y433-H436 AromaticContact CE2-CD2 3.57Å; Y433-H436 AromaticContact CE2-CG 3.71Å; Y433-H436 WeakPolarHBondContact O-CB 3.47Å; Y433-H436 PolarHBondContact O-CD2 3.16Å; Y433-H436 PolarHBondContact O-N 2.92Å
434Q65.7Low71Confident91 Ų9168.2 Ų68.243%0.42534%0.344SS..Hα-helixtrans-56.4-24.2174.6-71.8-171.1-1000113.3F430 L431 H436 N437F430-Q434 HydrophobicContact CD1-CG 4.49Å; F430-Q434 HydrophobicContact CE1-CG 4.2Å; F430-Q434 HydrophobicContact CZ-CG 4.43Å; F430-Q434 PolarHBondContact O-N 3.34Å; L431-Q434 PolarHBondContact O-N 3.08Å; Q434-H436 PolarHBondContact O-N 2.8Å; Q434-H436 VanDerWaalsContact O-N 3.08Å; Q434-N437 WeakPolarHBondContact O-CB 3.32Å; Q434-N437 PolarHBondContact O-N 3.38Å; Q434-N437 VanDerWaalsContact O-N 3.08Å
435G65.4Low71.3Confident31 Ų3169.5 Ų69.532%0.3236%0.356SS..G310 helixtrans-54.9-25.5173.900000113.9P432 Y433 N437 S438P432-G435 PolarHBondContact O-N 3.35Å; Y433-G435 PolarHBondContact O-N 3.29Å; G435-N437 VanDerWaalsContact C-N 3.28Å; G435-N437 PolarHBondContact O-N 2.91Å; G435-S438 PolarHBondContact O-N 3.3Å; G435-S438 PolarHBondContact O-OG 3.43Å
436H71.1Confident71.1Confident7 Ų764.4 Ų64.43%0.03233%0.331CS..G310 helixtrans-67.6-20177.4-79.6-102.8000114.6L346 P372 Y433 Q434 S438 F439L346-H436 HydrophobicContact CB-CB 4.5Å; L346-H436 WeakPolarHBondContact CD1-O 2.95Å; P372-H436 PolarHBondContact O-CE1 3.15Å; P372-H436 PolarHBondContact O-ND1 2.69Å; Y433-H436 AromaticContact CD2-CD2 3.5Å; Y433-H436 HydrophobicContact CE2-CB 4.07Å; Y433-H436 AromaticContact CE2-CD2 3.57Å; Y433-H436 AromaticContact CE2-CG 3.71Å; Y433-H436 WeakPolarHBondContact O-CB 3.47Å; Y433-H436 PolarHBondContact O-CD2 3.16Å; Y433-H436 PolarHBondContact O-N 2.92Å; Q434-H436 PolarHBondContact O-N 2.8Å; Q434-H436 VanDerWaalsContact O-N 3.08Å; H436-S438 PolarHBondContact O-N 3.33Å; H436-S438 VanDerWaalsContact O-N 3.16Å; H436-F439 WeakPolarHBondContact O-CB 3.44Å; H436-F439 PolarHBondContact O-N 2.59Å
437N74.7Confident71.1Confident55 Ų5559.6 Ų59.629%0.29431%0.308SS..G310 helixtrans-63.5-23.9178.5-69.9-25.6000112.6H345 L346 S347 Q434 G435 F439H345-N437 WeakPolarHBondContact CB-OD1 3.41Å; L346-N437 PolarHBondContact N-OD1 3.22Å; L346-N437 VanDerWaalsContact N-OD1 3.16Å; S347-N437 PolarHBondContact N-OD1 2.93Å; S347-N437 PolarHBondContact OG-ND2 3.3Å; S347-N437 PolarHBondContact OG-OD1 2.88Å; Q434-N437 WeakPolarHBondContact O-CB 3.32Å; Q434-N437 PolarHBondContact O-N 3.38Å; Q434-N437 VanDerWaalsContact O-N 3.08Å; G435-N437 VanDerWaalsContact C-N 3.28Å; G435-N437 PolarHBondContact O-N 2.91Å; N437-F439 VanDerWaalsContact C-N 3.3Å
438S77Confident71Confident30 Ų3063 Ų6321%0.2133%0.329CS..G310 helixtrans-85.33.1174.5640000113.7G435 H436 R440 E441 K442G435-S438 PolarHBondContact O-N 3.3Å; G435-S438 PolarHBondContact O-OG 3.43Å; H436-S438 PolarHBondContact O-N 3.33Å; H436-S438 VanDerWaalsContact O-N 3.16Å; S438-R440 VanDerWaalsContact C-N 3.35Å; S438-R440 PolarHBondContact O-N 3.05Å; S438-E441 PolarHBondContact O-N 3.08Å; S438-E441 VanDerWaalsContact O-N 3.15Å; S438-K442 WeakPolarHBondContact O-CG 3.27Å; S438-K442 PolarHBondContact O-N 2.76Å; S438-K442 WeakPolarHBondContact OG-CD 3.41Å; S438-K442 WeakPolarHBondContact OG-CE 3.26Å; S438-K442 PolarHBondContact OG-NZ 2.95Å
439F80.7Confident71Confident3 Ų363.7 Ų63.71%0.01333%0.325CS..Hα-helixtrans-57.1-43.2-174.1175.6-102.7000113.1I313 L346 P372 V373 T403 H436 N437 E441 K442 Y443I313-F439 HydrophobicContact CD1-CD1 4.37Å; I313-F439 HydrophobicContact CD1-CE1 3.46Å; I313-F439 VanDerWaalsContact CD1-CE1 3.46Å; I313-F439 HydrophobicContact CD1-CZ 4.06Å; I313-F439 HydrophobicContact CG1-CE1 4.19Å; L346-F439 HydrophobicContact CD1-CB 3.86Å; L346-F439 HydrophobicContact CD1-CD1 4.26Å; L346-F439 HydrophobicContact CD1-CG 4.43Å; P372-F439 HydrophobicContact CB-CD1 3.91Å; P372-F439 HydrophobicContact CB-CD2 4.3Å; P372-F439 HydrophobicContact CB-CE1 3.51Å; P372-F439 HydrophobicContact CB-CE2 3.96Å; P372-F439 HydrophobicContact CB-CG 4.28Å; P372-F439 HydrophobicContact CB-CZ 3.55Å; P372-F439 HydrophobicContact CG-CD1 4.34Å; P372-F439 HydrophobicContact CG-CE1 4.35Å; V373-F439 WeakPolarHBondContact O-CE2 3.27Å; T403-F439 HydrophobicContact CG2-CE2 4.46Å; H436-F439 WeakPolarHBondContact O-CB 3.44Å; H436-F439 PolarHBondContact O-N 2.59Å; N437-F439 VanDerWaalsContact C-N 3.3Å; F439-E441 VanDerWaalsContact C-N 3.35Å; F439-E441 PolarHBondContact O-N 2.95Å; F439-K442 PolarHBondContact O-N 2.71Å; F439-Y443 HydrophobicContact CZ-CD2 4.2Å; F439-Y443 VanDerWaalsContact O-CB 3.3Å; F439-Y443 WeakPolarHBondContact O-CB 3.39Å; F439-Y443 PolarHBondContact O-N 3.17Å
440R78.1Confident70.8Confident125 Ų12565.5 Ų65.547%0.47233%0.328SS..Hα-helixtrans-58.7-46.7178-177-173.9170.494.70111.2G312 I313 S438 Y443 F444G312-R440 WeakPolarHBondContact O-CD 3.3Å; G312-R440 VanDerWaalsContact O-CG 3.27Å; G312-R440 WeakPolarHBondContact O-CG 3.31Å; G312-R440 PolarHBondContact O-NH1 3.42Å; I313-R440 PolarHBondContact O-NH1 3.39Å; S438-R440 VanDerWaalsContact C-N 3.35Å; S438-R440 PolarHBondContact O-N 3.05Å; R440-Y443 WeakPolarHBondContact O-CB 3.07Å; R440-Y443 PolarHBondContact O-N 3.25Å; R440-F444 HydrophobicContact CG-CD2 3.94Å; R440-F444 HydrophobicContact CG-CE2 3.74Å; R440-F444 WeakPolarHBondContact O-CD2 3.36Å; R440-F444 PolarHBondContact O-N 3.4Å; R440-F444 VanDerWaalsContact O-N 3.14Å
441E79.6Confident70.7Confident145 Ų14567.5 Ų67.568%0.67834%0.34SS*.Hα-helixtrans-65.5-44.2179.9-63.5171178.100111.3S438 F439 Y443 F444 S445S438-E441 PolarHBondContact O-N 3.08Å; S438-E441 VanDerWaalsContact O-N 3.15Å; F439-E441 VanDerWaalsContact C-N 3.35Å; F439-E441 PolarHBondContact O-N 2.95Å; E441-Y443 VanDerWaalsContact C-N 3.34Å; E441-Y443 PolarHBondContact O-N 3.15Å; E441-F444 PolarHBondContact O-N 3.46Å; E441-S445 WeakPolarHBondContact O-CB 3.43Å; E441-S445 PolarHBondContact O-N 3.14Å; E441-S445 PolarHBondContact O-OG 3.38Å
442K81.3Confident70.6Confident41 Ų4164 Ų6418%0.17833%0.328CS..Hα-helixtrans-62-40.5175.4-71.7175.7177.2167.20112.2Y374 E377 S438 F439 S445 G446Y374-K442 HydrophobicContact CD1-CD 3.89Å; Y374-K442 HydrophobicContact CD2-CB 3.96Å; Y374-K442 HydrophobicContact CE1-CD 4.48Å; Y374-K442 HydrophobicContact CE2-CB 4.35Å; Y374-K442 HydrophobicContact CG-CB 4.05Å; Y374-K442 HydrophobicContact CG-CD 4.03Å; E377-K442 WeakPolarHBondContact OE1-CE 3.43Å; E377-K442 IonicContact OE1-NZ 2.78Å; E377-K442 WeakPolarHBondContact OE2-CE 3.36Å; E377-K442 IonicContact OE2-NZ 3.09Å; E377-K442 PolarHBondContact OE2-NZ 2.75Å; S438-K442 WeakPolarHBondContact O-CG 3.27Å; S438-K442 PolarHBondContact O-N 2.76Å; S438-K442 WeakPolarHBondContact OG-CD 3.41Å; S438-K442 WeakPolarHBondContact OG-CE 3.26Å; S438-K442 PolarHBondContact OG-NZ 2.95Å; F439-K442 PolarHBondContact O-N 2.71Å; K442-S445 WeakPolarHBondContact CA-OG 3.16Å; K442-S445 PolarHBondContact O-OG 2.96Å; K442-G446 PolarHBondContact O-N 3.17Å
443Y78.8Confident70.8Confident54 Ų5469.4 Ų69.421%0.21235%0.347CS..Hα-helixtrans-58.9-52.8175.6-177.6-85.6000111.3I313 T403 F439 R440 E441 G446 V447I313-Y443 HydrophobicContact CD1-CD1 3.83Å; I313-Y443 HydrophobicContact CD1-CD2 3.33Å; I313-Y443 HydrophobicContact CD1-CE1 4.07Å; I313-Y443 HydrophobicContact CD1-CE2 3.62Å; I313-Y443 HydrophobicContact CD1-CG 3.47Å; I313-Y443 VanDerWaalsContact CD1-CG 3.47Å; I313-Y443 HydrophobicContact CG1-CD1 4.21Å; I313-Y443 HydrophobicContact CG1-CD2 4.47Å; I313-Y443 HydrophobicContact CG1-CG 4.17Å; I313-Y443 HydrophobicContact CG2-CD1 4.14Å; I313-Y443 HydrophobicContact CG2-CE1 3.84Å; T403-Y443 HydrophobicContact CG2-CD2 3.68Å; T403-Y443 HydrophobicContact CG2-CE2 4.35Å; T403-Y443 HydrophobicContact CG2-CG 4.45Å; F439-Y443 HydrophobicContact CZ-CD2 4.2Å; F439-Y443 VanDerWaalsContact O-CB 3.3Å; F439-Y443 WeakPolarHBondContact O-CB 3.39Å; F439-Y443 PolarHBondContact O-N 3.17Å; R440-Y443 WeakPolarHBondContact O-CB 3.07Å; R440-Y443 PolarHBondContact O-N 3.25Å; E441-Y443 VanDerWaalsContact C-N 3.34Å; E441-Y443 PolarHBondContact O-N 3.15Å; Y443-G446 PolarHBondContact O-N 3.13Å; Y443-V447 HydrophobicContact CD1-CG2 4.45Å; Y443-V447 HydrophobicContact CE1-CG2 4.16Å; Y443-V447 WeakPolarHBondContact O-CG2 3.43Å; Y443-V447 PolarHBondContact O-N 3.44Å
444F77.8Confident70.5Confident90 Ų9073.3 Ų73.340%0.39537%0.365SS..Hα-helixtrans-70.5-37-177.8-73.7-67.4000113.1I313 R440 E441 G446 V447 T448I313-F444 HydrophobicContact CG2-CZ 4.09Å; R440-F444 HydrophobicContact CG-CD2 3.94Å; R440-F444 HydrophobicContact CG-CE2 3.74Å; R440-F444 WeakPolarHBondContact O-CD2 3.36Å; R440-F444 PolarHBondContact O-N 3.4Å; R440-F444 VanDerWaalsContact O-N 3.14Å; E441-F444 PolarHBondContact O-N 3.46Å; F444-G446 VanDerWaalsContact C-N 3.33Å; F444-G446 PolarHBondContact O-N 3.02Å; F444-V447 PolarHBondContact O-N 2.92Å; F444-T448 PolarHBondContact O-N 3.23Å; F444-T448 PolarHBondContact O-OG1 3.21Å; F444-T448 VanDerWaalsContact O-OG1 3.13Å
445S75.9Confident70.3Confident53 Ų5374.6 Ų74.637%0.37137%0.371SS..Hα-helixtrans-63.9-36.6175.3610000112.9E441 K442 T448 K449E441-S445 WeakPolarHBondContact O-CB 3.43Å; E441-S445 PolarHBondContact O-N 3.14Å; E441-S445 PolarHBondContact O-OG 3.38Å; K442-S445 WeakPolarHBondContact CA-OG 3.16Å; K442-S445 PolarHBondContact O-OG 2.96Å; S445-T448 PolarHBondContact O-N 3.43Å; S445-K449 WeakPolarHBondContact O-CG 3.45Å; S445-K449 PolarHBondContact O-N 3.05Å; S445-K449 VanDerWaalsContact O-N 3.11Å
446G65.7Low70.1Confident10 Ų1080.5 Ų80.510%0.10339%0.388CS..Hα-helixtrans-64.4-37.1172.900000113.2K442 Y443 F444 R450K442-G446 PolarHBondContact O-N 3.17Å; Y443-G446 PolarHBondContact O-N 3.13Å; F444-G446 VanDerWaalsContact C-N 3.33Å; F444-G446 PolarHBondContact O-N 3.02Å; G446-R450 PolarHBondContact O-N 3.2Å
447V63.3Low69.4Low58 Ų5883.9 Ų83.935%0.35241%0.412SS..Hα-helixtrans-65.5-46.3175.3174.20000111Y443 F444 K449 R450 I451Y443-V447 HydrophobicContact CD1-CG2 4.45Å; Y443-V447 HydrophobicContact CE1-CG2 4.16Å; Y443-V447 WeakPolarHBondContact O-CG2 3.43Å; Y443-V447 PolarHBondContact O-N 3.44Å; F444-V447 PolarHBondContact O-N 2.92Å; V447-K449 PolarHBondContact O-N 3.07Å; V447-R450 WeakPolarHBondContact O-CB 3.49Å; V447-R450 PolarHBondContact O-N 3.14Å; V447-R450 VanDerWaalsContact O-N 3.14Å; V447-I451 HydrophobicContact CG1-CD1 3.99Å; V447-I451 WeakPolarHBondContact O-CG1 3.5Å; V447-I451 PolarHBondContact O-N 3.44Å
448T65.4Low68.4Low96 Ų9686.7 Ų86.759%0.58943%0.431SS*.Hα-helixtrans-61.4-42.8178.5-50.70000112.1F444 S445 R450 I451 A452F444-T448 PolarHBondContact O-N 3.23Å; F444-T448 PolarHBondContact O-OG1 3.21Å; F444-T448 VanDerWaalsContact O-OG1 3.13Å; S445-T448 PolarHBondContact O-N 3.43Å; T448-R450 VanDerWaalsContact C-N 3.27Å; T448-R450 PolarHBondContact O-N 3.24Å; T448-I451 PolarHBondContact O-N 3.37Å; T448-A452 WeakPolarHBondContact O-CB 3.41Å; T448-A452 PolarHBondContact O-N 3.04Å
449K63.7Low67.1Low149 Ų14993.3 Ų93.365%0.64846%0.459SS*.Hα-helixtrans-62-34.1175.7-76-179.6179.5178.10112.7S445 V447 K453S445-K449 WeakPolarHBondContact O-CG 3.45Å; S445-K449 PolarHBondContact O-N 3.05Å; S445-K449 VanDerWaalsContact O-N 3.11Å; V447-K449 PolarHBondContact O-N 3.07Å; K449-K453 WeakPolarHBondContact O-CB 3.48Å; K449-K453 PolarHBondContact O-N 2.9Å
450R62.8Low65.3Low129 Ų129104 Ų10449%0.48751%0.509SS..Hα-helixtrans-69.1-48.8176.1-178.8-177.3170.7-175.1-4.8111.6G446 V447 T448 A452 K453 E454G446-R450 PolarHBondContact O-N 3.2Å; V447-R450 WeakPolarHBondContact O-CB 3.49Å; V447-R450 PolarHBondContact O-N 3.14Å; V447-R450 VanDerWaalsContact O-N 3.14Å; T448-R450 VanDerWaalsContact C-N 3.27Å; T448-R450 PolarHBondContact O-N 3.24Å; R450-A452 VanDerWaalsContact C-N 3.29Å; R450-A452 PolarHBondContact O-N 3.37Å; R450-K453 WeakPolarHBondContact O-CB 3.39Å; R450-K453 PolarHBondContact O-N 3.02Å; R450-E454 HydrophobicContact CG-CG 4.46Å; R450-E454 IonicContact CZ-OE1 3.26Å; R450-E454 VanDerWaalsContact CZ-OE1 3.26Å; R450-E454 IonicContact NE-OE1 2.75Å; R450-E454 PolarHBondContact NE-OE1 3.15Å; R450-E454 IonicContact NH2-OE1 3.04Å; R450-E454 PolarHBondContact NH2-OE1 2.9Å; R450-E454 PolarHBondContact O-N 3.4Å
451I64.3Low64.6Low81 Ų81103 Ų10342%0.41551%0.511SS..Hα-helixtrans-57.1-46.7178.3-65.9168.9000109.9V447 T448 K453 E454 E455V447-I451 HydrophobicContact CG1-CD1 3.99Å; V447-I451 WeakPolarHBondContact O-CG1 3.5Å; V447-I451 PolarHBondContact O-N 3.44Å; T448-I451 PolarHBondContact O-N 3.37Å; I451-K453 PolarHBondContact O-N 2.67Å; I451-E454 PolarHBondContact O-N 3.11Å; I451-E455 HydrophobicContact CG2-CG 4.36Å; I451-E455 WeakPolarHBondContact O-CB 3.5Å; I451-E455 WeakPolarHBondContact O-CG 3.48Å; I451-E455 PolarHBondContact O-N 3.46Å
452A61.9Low63.8Low45 Ų45100.8 Ų100.837%0.37250%0.503SS..Hα-helixtrans-62.7-28177.300000113.9T448 R450 K456T448-A452 WeakPolarHBondContact O-CB 3.41Å; T448-A452 PolarHBondContact O-N 3.04Å; R450-A452 VanDerWaalsContact C-N 3.29Å; R450-A452 PolarHBondContact O-N 3.37Å; A452-K456 WeakPolarHBondContact O-CG 3.49Å; A452-K456 PolarHBondContact O-N 3.06Å
453K65.1Low62.9Low161 Ų161104.1 Ų104.170%0.752%0.521SS*.Hα-helixtrans-79.7-39.4176.1-167.8178.5-179.1-179.30111.7K449 R450 I451 K456 S457K449-K453 WeakPolarHBondContact O-CB 3.48Å; K449-K453 PolarHBondContact O-N 2.9Å; R450-K453 WeakPolarHBondContact O-CB 3.39Å; R450-K453 PolarHBondContact O-N 3.02Å; I451-K453 PolarHBondContact O-N 2.67Å; K453-K456 PolarHBondContact O-N 3.2Å; K453-S457 PolarHBondContact O-N 3.09Å; K453-S457 PolarHBondContact O-OG 3.36Å
454E63.3Low61.9Low86 Ų86107.1 Ų107.140%0.40254%0.539SS..Hα-helixtrans-65.8-44.8175.8-73.817517700110.6R450 I451 K456 S457 T458R450-E454 HydrophobicContact CG-CG 4.46Å; R450-E454 IonicContact CZ-OE1 3.26Å; R450-E454 VanDerWaalsContact CZ-OE1 3.26Å; R450-E454 IonicContact NE-OE1 2.75Å; R450-E454 PolarHBondContact NE-OE1 3.15Å; R450-E454 IonicContact NH2-OE1 3.04Å; R450-E454 PolarHBondContact NH2-OE1 2.9Å; R450-E454 PolarHBondContact O-N 3.4Å; I451-E454 PolarHBondContact O-N 3.11Å; E454-K456 VanDerWaalsContact C-N 3.34Å; E454-K456 PolarHBondContact O-N 2.79Å; E454-S457 WeakPolarHBondContact CA-OG 3.37Å; E454-S457 PolarHBondContact O-N 3.48Å; E454-S457 VanDerWaalsContact O-N 3.15Å; E454-S457 PolarHBondContact O-OG 3.32Å; E454-T458 PolarHBondContact O-N 3.27Å; E454-T458 VanDerWaalsContact O-N 3.09Å; E454-T458 PolarHBondContact O-OG1 3.47Å
455E60.1Low61Low117 Ų117108.1 Ų108.155%0.54755%0.548SS..Hα-helixtrans-59.2-41.4175-74175.7170.900112.6I451 T458 Q459I451-E455 HydrophobicContact CG2-CG 4.36Å; I451-E455 WeakPolarHBondContact O-CB 3.5Å; I451-E455 WeakPolarHBondContact O-CG 3.48Å; I451-E455 PolarHBondContact O-N 3.46Å; E455-T458 PolarHBondContact O-N 3.38Å; E455-Q459 WeakPolarHBondContact O-CG 3.48Å; E455-Q459 PolarHBondContact O-N 3.07Å
456K62.2Low60Low155 Ų155111.8 Ų111.867%0.67456%0.56SS**Hα-helixtrans-65.7-39174.8-79.4-177.4176.4-171.80113A452 K453 E454 T458 Q459A452-K456 WeakPolarHBondContact O-CG 3.49Å; A452-K456 PolarHBondContact O-N 3.06Å; K453-K456 PolarHBondContact O-N 3.2Å; E454-K456 VanDerWaalsContact C-N 3.34Å; E454-K456 PolarHBondContact O-N 2.79Å; K456-T458 PolarHBondContact O-N 3.34Å; K456-Q459 PolarHBondContact O-N 3.39Å
457S56.2Low59.6Low78 Ų78119.1 Ų119.155%0.54559%0.592SS.*Hα-helixtrans-74.4-10.3177.461.70000114.5K453 E454K453-S457 PolarHBondContact O-N 3.09Å; K453-S457 PolarHBondContact O-OG 3.36Å; E454-S457 WeakPolarHBondContact CA-OG 3.37Å; E454-S457 PolarHBondContact O-N 3.48Å; E454-S457 VanDerWaalsContact O-N 3.15Å; E454-S457 PolarHBondContact O-OG 3.32Å
458T54.4Low59.3Low114 Ų114123.8 Ų123.870%0.69961%0.611SS**THydrogen-bonded Turntrans-97.7-5175.7-21.60000112.2E454 E455 K456E454-T458 PolarHBondContact O-N 3.27Å; E454-T458 VanDerWaalsContact O-N 3.09Å; E454-T458 PolarHBondContact O-OG1 3.47Å; E455-T458 PolarHBondContact O-N 3.38Å; K456-T458 PolarHBondContact O-N 3.34Å
459Q49.2Very low58.8Low169 Ų169126.1 Ų126.179%0.7961%0.612SS**  trans-103.6-2.1177.7-72.7179.6-3.100113E455 K456E455-Q459 WeakPolarHBondContact O-CG 3.48Å; E455-Q459 PolarHBondContact O-N 3.07Å; K456-Q459 PolarHBondContact O-N 3.39Å
460E42Very low58.3Low229 Ų229124 Ų124100%1.0761%0.609SS**  trans-104.50165.4-70178.6171.800108.9

Retrieved 460 of 460 residues in 4124.8 ms (Link to these results)

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