A0A087YA61_POEFO Loading...

Pescadillo homolog

Component of the PeBoW complex, which is required for maturation of 28S and 5.8S ribosomal RNAs and formation of the 60S ribosome.

AlphaFold DB , UniProt , Accession A0A087YA61, Species POEFO (Poecilia formosa, Amazon molly), Gene PES1, Length 579 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
1M47.6Very low70.7Confident249 Ų249146.7 Ų146.7100%1.22775%0.745SS**  092.80-68.5-150.7-147.400109.7G3M1-G3 PolarHBondContact O-N 3.47Å
2G53.4Low71.5Confident85 Ų85138.2 Ų138.288%0.87672%0.72SS**  trans-81107.8176.900000110.2
3G62.7Low71.9Confident74 Ų74130.4 Ų130.476%0.76369%0.685SS**PPolyproline II helixtrans-59.6140.717500000111.4M1 Q5M1-G3 PolarHBondContact O-N 3.47Å; G3-Q5 PolarHBondContact O-N 3.49Å
4I73.8Confident72.5Confident163 Ų163122.4 Ų122.484%0.83665%0.647SS**PPolyproline II helixtrans-49.4126178.4-61.1165.7000109.7K6I4-K6 PolarHBondContact O-N 3Å; I4-K6 VanDerWaalsContact O-N 3.09Å
5Q74.9Confident73.2Confident188 Ų188117.9 Ų117.988%0.87963%0.626SS**PPolyproline II helixtrans-54.8116.6176.3-105.3-177.810.400109.8G3G3-Q5 PolarHBondContact O-N 3.49Å
6K76Confident74.3Confident140 Ų140116.3 Ų116.361%0.60962%0.618SS**PPolyproline II helixtrans-73.2133.6-179.8-63.4172.8-173.5168.20109I4I4-K6 PolarHBondContact O-N 3Å; I4-K6 VanDerWaalsContact O-N 3.09Å
7K80.3Confident75.3Confident153 Ų153112.4 Ų112.467%0.66559%0.593SS**PPolyproline II helixtrans-67.4145.4178.5-62.2169.8172.3174.30110E10K7-E10 VanDerWaalsContact CB-CD 3.49Å; K7-E10 HydrophobicContact CB-CG 4.04Å; K7-E10 WeakPolarHBondContact CB-OE2 3.46Å; K7-E10 VanDerWaalsContact CD-OE1 3.26Å; K7-E10 WeakPolarHBondContact CD-OE1 3.44Å; K7-E10 PolarHBondContact O-N 3.14Å
8K77.3Confident76.3Confident179 Ų179107.1 Ų107.178%0.77857%0.565SS**THydrogen-bonded Turntrans-59.1141.1178.3-66.8-178.3179.9177.60110E10K8-E10 VanDerWaalsContact C-N 3.29Å; K8-E10 PolarHBondContact O-N 3.42Å
9Y79.3Confident77.1Confident99 Ų99102.3 Ų102.339%0.38854%0.541SS..THydrogen-bonded Turntrans69.812178-42-72.9000116.5A14 K53 K56Y9-A14 HydrophobicContact CD1-CB 4.21Å; Y9-K53 VanDerWaalsContact CD1-O 3.26Å; Y9-K53 WeakPolarHBondContact CD1-O 3.47Å; Y9-K53 WeakPolarHBondContact CE1-O 3.47Å; Y9-K56 HydrophobicContact CD1-CG 4.42Å; Y9-K56 HydrophobicContact CD2-CB 4.49Å; Y9-K56 HydrophobicContact CD2-CG 4.3Å; Y9-K56 HydrophobicContact CE2-CB 4.36Å; Y9-K56 HydrophobicContact CG-CG 4.16Å
10E77.8Confident77.9Confident110 Ų110101 Ų10151%0.51453%0.528SS..SBendtrans-92.2-4.1175.2-69.8-172.8168.200114K7 K8 T15K7-E10 VanDerWaalsContact CB-CD 3.49Å; K7-E10 HydrophobicContact CB-CG 4.04Å; K7-E10 WeakPolarHBondContact CB-OE2 3.46Å; K7-E10 VanDerWaalsContact CD-OE1 3.26Å; K7-E10 WeakPolarHBondContact CD-OE1 3.44Å; K7-E10 PolarHBondContact O-N 3.14Å; K8-E10 VanDerWaalsContact C-N 3.29Å; K8-E10 PolarHBondContact O-N 3.42Å; E10-T15 VanDerWaalsContact C-CG2 3.45Å; E10-T15 VanDerWaalsContact O-CG2 3.28Å; E10-T15 WeakPolarHBondContact O-CG2 3.27Å
11R75.3Confident78.6Confident174 Ų174100.5 Ų100.566%0.65753%0.526SS*.SBendtrans-143.8160.7176.2-63.5-168.9-177.3-164.10.7111.9
12G80.4Confident80.7Confident44 Ų4494.8 Ų94.845%0.45449%0.491SS..THydrogen-bonded Turntrans82.7-150.8174.300000113.2A14 T15G12-A14 PolarHBondContact O-N 3.34Å; G12-T15 PolarHBondContact O-N 3.48Å; G12-T15 PolarHBondContact O-OG1 3.01Å
13S76Confident82.6Confident37 Ų3790.8 Ų90.826%0.25945%0.449SS..Hα-helixtrans-56.1-29.6-176.953.20000113.4T15 N16 Y17S13-T15 VanDerWaalsContact C-N 3.26Å; S13-T15 PolarHBondContact O-N 3.11Å; S13-N16 PolarHBondContact O-N 2.96Å; S13-Y17 VanDerWaalsContact O-CD2 3.31Å; S13-Y17 WeakPolarHBondContact O-CD2 3.5Å
14A80.1Confident84Confident19 Ų1990.7 Ų90.716%0.15743%0.426CS..Hα-helixtrans-63.7-25.6177.900000114.5Y9 G12Y9-A14 HydrophobicContact CD1-CB 4.21Å; G12-A14 PolarHBondContact O-N 3.34Å
15T84.1Confident84.9Confident54 Ų5490.4 Ų90.433%0.33142%0.418SS..Hα-helixtrans-91.1-20.4177.249.30000113.4E10 G12 S13 Y17E10-T15 VanDerWaalsContact C-CG2 3.45Å; E10-T15 VanDerWaalsContact O-CG2 3.28Å; E10-T15 WeakPolarHBondContact O-CG2 3.27Å; G12-T15 PolarHBondContact O-N 3.48Å; G12-T15 PolarHBondContact O-OG1 3.01Å; S13-T15 VanDerWaalsContact C-N 3.26Å; S13-T15 PolarHBondContact O-N 3.11Å; T15-Y17 VanDerWaalsContact C-N 3.35Å
16N90.1Very high85.7Confident92 Ų9285.9 Ų85.949%0.49240%0.396SS..Hα-helixtrans-76.2-26.8-175.9-66.8-0.7000112.3S13 L66 L67S13-N16 PolarHBondContact O-N 2.96Å; N16-L66 WeakPolarHBondContact O-CA 3.47Å; N16-L67 WeakPolarHBondContact O-CB 3.4Å; N16-L67 PolarHBondContact O-N 3.28Å
17Y91.8Very high86.4Confident51 Ų5179.3 Ų79.320%0.237%0.367CS..EExtended strand (participates in β ladder)trans-112.2148.5-176.8-61.5-83.4000112.4S13 T15 H46 P48 V54 F64 Y65 L66S13-Y17 VanDerWaalsContact O-CD2 3.31Å; S13-Y17 WeakPolarHBondContact O-CD2 3.5Å; T15-Y17 VanDerWaalsContact C-N 3.35Å; Y17-H46 HydrophobicContact CD1-CB 4.47Å; Y17-H46 HydrophobicContact CE1-CB 3.91Å; Y17-P48 HydrophobicContact CD1-CB 4.47Å; Y17-P48 HydrophobicContact CD2-CB 3.91Å; Y17-P48 HydrophobicContact CE1-CB 4.29Å; Y17-P48 HydrophobicContact CE2-CB 3.72Å; Y17-P48 HydrophobicContact CG-CB 4.29Å; Y17-V54 HydrophobicContact CD2-CG1 4.21Å; Y17-V54 HydrophobicContact CD2-CG2 3.78Å; Y17-V54 HydrophobicContact CE2-CG2 4.4Å; Y17-V54 HydrophobicContact CG-CG1 4.19Å; Y17-F64 HydrophobicContact CD1-CB 4.21Å; Y17-Y65 CarbonylContact C-O 3.53Å; Y17-Y65 VanDerWaalsContact CA-O 3.31Å; Y17-Y65 WeakPolarHBondContact CA-O 3.45Å; Y17-L66 HydrophobicContact CD1-CD2 3.81Å; Y17-L66 HydrophobicContact CE1-CD2 3.46Å; Y17-L66 VanDerWaalsContact CE1-CD2 3.46Å; Y17-L66 HydrophobicContact CE1-CG 4.41Å
18I92.3Very high86.9Confident16 Ų1679.3 Ų79.38%0.08237%0.371CS..EExtended strand (participates in β ladder)trans-129.9137.6174.4-172.3167.8000109.6R22 A23 K26 F64 Y65 I70I18-R22 HydrophobicContact CD1-CB 3.88Å; I18-R22 HydrophobicContact CG1-CB 3.59Å; I18-A23 HydrophobicContact CD1-CB 4.41Å; I18-A23 HydrophobicContact CG1-CB 4.42Å; I18-A23 HydrophobicContact CG2-CB 4.16Å; I18-K26 HydrophobicContact CD1-CD 4.39Å; I18-F64 WeakPolarHBondContact O-CA 3.35Å; I18-Y65 PolarHBondContact N-O 2.96Å; I18-Y65 PolarHBondContact O-N 3.41Å; I18-I70 HydrophobicContact CG2-CB 4.37Å; I18-I70 HydrophobicContact CG2-CG1 3.69Å
19T92.6Very high87.5Confident17 Ų1771.4 Ų71.410%0.10434%0.337CS..EExtended strand (participates in β ladder)trans-71147.9176.153.20000110.7N21 R22 A23 F64T19-N21 PolarHBondContact O-N 2.85Å; T19-N21 VanDerWaalsContact O-N 3.12Å; T19-R22 WeakPolarHBondContact O-CA 3.31Å; T19-R22 PolarHBondContact O-N 3.25Å; T19-R22 WeakPolarHBondContact OG1-CG 3.48Å; T19-A23 PolarHBondContact O-N 2.94Å; T19-F64 HydrophobicContact CG2-CD1 3.81Å; T19-F64 HydrophobicContact CG2-CE1 3.44Å; T19-F64 VanDerWaalsContact CG2-CE1 3.44Å; T19-F64 HydrophobicContact CG2-CZ 4.34Å
20R92.9Very high88.1Confident76 Ų7668.6 Ų68.629%0.28733%0.333SS..Hα-helixtrans-46-45.4177-175.5174.370.9-166.7-0.6114R22 A23 R24 L31 F34 T63 Y65R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 3.43Å; R20-A23 PolarHBondContact O-N 3.34Å; R20-R24 WeakPolarHBondContact O-CB 3.45Å; R20-R24 PolarHBondContact O-N 2.96Å; R20-L31 HydrophobicContact CG-CD1 4.46Å; R20-F34 HydrophobicContact CG-CD1 4.38Å; R20-F34 HydrophobicContact CG-CE1 3.93Å; R20-T63 VanDerWaalsContact CB-OG1 3.27Å; R20-T63 WeakPolarHBondContact CB-OG1 3.44Å; R20-T63 PolarHBondContact N-O 3.43Å; R20-T63 VanDerWaalsContact N-O 3.07Å; R20-Y65 HydrophobicContact CB-CD2 4.37Å; R20-Y65 HydrophobicContact CB-CE2 3.88Å; R20-Y65 HydrophobicContact CG-CE2 4.01Å
21N91.8Very high88.7Confident90 Ų9065.6 Ų65.648%0.48132%0.32SS..Hα-helixtrans-65.1-36.2-179.8-73.2-13.9000112.7T19 K25T19-N21 PolarHBondContact O-N 2.85Å; T19-N21 VanDerWaalsContact O-N 3.12Å; N21-K25 WeakPolarHBondContact O-CG 3.46Å; N21-K25 PolarHBondContact O-N 3.33Å
22R92.1Very high89.4Confident130 Ų13061 Ų6149%0.49131%0.313SS..Hα-helixtrans-74.6-40.6175.6-72.7-174.4-177.8160.76.3111.5I18 T19 R20 K25 K26I18-R22 HydrophobicContact CD1-CB 3.88Å; I18-R22 HydrophobicContact CG1-CB 3.59Å; T19-R22 WeakPolarHBondContact O-CA 3.31Å; T19-R22 PolarHBondContact O-N 3.25Å; T19-R22 WeakPolarHBondContact OG1-CG 3.48Å; R20-R22 VanDerWaalsContact C-N 3.34Å; R20-R22 PolarHBondContact O-N 3.43Å; R22-K25 PolarHBondContact O-N 2.98Å; R22-K26 WeakPolarHBondContact O-CB 3.41Å; R22-K26 PolarHBondContact O-N 2.98Å
23A93.4Very high90Very high0 Ų060.5 Ų60.50%030%0.299CS..Hα-helixtrans-57.9-49.8175.600000111.3I18 T19 R20 K25 K26 L27 F34 I70I18-A23 HydrophobicContact CD1-CB 4.41Å; I18-A23 HydrophobicContact CG1-CB 4.42Å; I18-A23 HydrophobicContact CG2-CB 4.16Å; T19-A23 PolarHBondContact O-N 2.94Å; R20-A23 PolarHBondContact O-N 3.34Å; A23-K25 PolarHBondContact O-N 3.07Å; A23-K26 PolarHBondContact O-N 3.07Å; A23-K26 VanDerWaalsContact O-N 3.14Å; A23-L27 PolarHBondContact O-N 3.12Å; A23-F34 HydrophobicContact CB-CE2 3.97Å; A23-F34 HydrophobicContact CB-CZ 3.87Å; A23-I70 HydrophobicContact CB-CD1 3.89Å; A23-I70 HydrophobicContact CB-CG1 3.91Å; A23-I70 HydrophobicContact CB-CG2 4.27Å
24R92.9Very high90.8Very high73 Ų7358.7 Ų58.728%0.27529%0.287SS..Hα-helixtrans-56.2-45.9175.7-175.5-17372.5-173.84.3112.7R20 K26 M28 L29 F34R20-R24 WeakPolarHBondContact O-CB 3.45Å; R20-R24 PolarHBondContact O-N 2.96Å; R24-K26 VanDerWaalsContact C-N 3.35Å; R24-M28 PolarHBondContact O-N 2.98Å; R24-M28 VanDerWaalsContact O-N 3.1Å; R24-L29 WeakPolarHBondContact CG-O 3.45Å; R24-L29 PolarHBondContact O-N 2.91Å; R24-F34 HydrophobicContact CB-CG 4.43Å; R24-F34 HydrophobicContact CG-CB 4.39Å
25K92.6Very high91.4Very high157 Ų15762.4 Ų62.468%0.68330%0.297SS*.Hα-helixtrans-64.2-39.5178-77-175.8179.7-1690111.8N21 R22 A23 M28N21-K25 WeakPolarHBondContact O-CG 3.46Å; N21-K25 PolarHBondContact O-N 3.33Å; R22-K25 PolarHBondContact O-N 2.98Å; A23-K25 PolarHBondContact O-N 3.07Å; K25-M28 PolarHBondContact O-N 3.21Å
26K91.6Very high91.8Very high92 Ų9263.6 Ų63.640%0.430%0.295SS..Hα-helixtrans-65.8-39.9179.5-168.1175-178.2-177.40112.4I18 R22 A23 R24 M28 I70I18-K26 HydrophobicContact CD1-CD 4.39Å; R22-K26 WeakPolarHBondContact O-CB 3.41Å; R22-K26 PolarHBondContact O-N 2.98Å; A23-K26 PolarHBondContact O-N 3.07Å; A23-K26 VanDerWaalsContact O-N 3.14Å; R24-K26 VanDerWaalsContact C-N 3.35Å; K26-M28 VanDerWaalsContact C-N 3.29Å; K26-I70 HydrophobicContact CD-CG2 4.47Å
27L90.4Very high91.9Very high3 Ų359.2 Ų59.22%0.01627%0.272CS..Hα-helixtrans-79.3-10.6176.3-67.7168.9000113.5A23 L29 F34 I70 L73 L74A23-L27 PolarHBondContact O-N 3.12Å; L27-L29 HydrophobicContact CB-CB 4.48Å; L27-L29 HydrophobicContact CB-CD1 4.06Å; L27-L29 HydrophobicContact CB-CG 4.1Å; L27-L29 PolarHBondContact O-N 3.43Å; L27-F34 HydrophobicContact CD1-CD2 3.74Å; L27-F34 HydrophobicContact CD1-CE2 3.69Å; L27-I70 HydrophobicContact CD1-CG2 4.24Å; L27-I70 HydrophobicContact CG-CG2 4.2Å; L27-L73 HydrophobicContact CD1-CB 4.13Å; L27-L73 HydrophobicContact CD1-CD1 4Å; L27-L73 HydrophobicContact CD2-CB 4Å; L27-L74 HydrophobicContact CD2-CB 4.1Å
28M90Very high92Very high152 Ų15257.1 Ų57.175%0.74926%0.264SS*.THydrogen-bonded Turntrans56.736.5-174.7-56.1-175.7175.400113.3R24 K25 K26R24-M28 PolarHBondContact O-N 2.98Å; R24-M28 VanDerWaalsContact O-N 3.1Å; K25-M28 PolarHBondContact O-N 3.21Å; K26-M28 VanDerWaalsContact C-N 3.29Å
29L90.6Very high92.1Very high13 Ų1357.4 Ų57.47%0.06827%0.266CS..  trans-105.5159.9-179.4-69.2176.7000112R24 L27 D33 F34 L37 V79 F82R24-L29 WeakPolarHBondContact CG-O 3.45Å; R24-L29 PolarHBondContact O-N 2.91Å; L27-L29 HydrophobicContact CB-CB 4.48Å; L27-L29 HydrophobicContact CB-CD1 4.06Å; L27-L29 HydrophobicContact CB-CG 4.1Å; L27-L29 PolarHBondContact O-N 3.43Å; L29-D33 HydrophobicContact CB-CB 4.36Å; L29-D33 HydrophobicContact CD2-CB 4.33Å; L29-F34 HydrophobicContact CB-CB 4.39Å; L29-L37 HydrophobicContact CD1-CD2 3.69Å; L29-V79 HydrophobicContact CD1-CG2 4.44Å; L29-V79 HydrophobicContact CD2-CG1 4.32Å; L29-F82 HydrophobicContact CD2-CB 4.43Å; L29-F82 HydrophobicContact CD2-CD2 4.3Å
30S91.4Very high92.1Very high41 Ų4156.6 Ų56.629%0.28726%0.261SS..  trans-75167.3169.178.40000109.9P32 D33 F34S30-P32 WeakPolarHBondContact OG-CD 3.29Å; S30-D33 WeakPolarHBondContact CB-OD2 3.5Å; S30-D33 PolarHBondContact OG-N 3.31Å; S30-D33 PolarHBondContact OG-OD1 2.84Å; S30-D33 PolarHBondContact OG-OD2 3.21Å; S30-F34 WeakPolarHBondContact O-CB 3.49Å; S30-F34 PolarHBondContact O-N 3.29Å
31L90.8Very high92Very high47 Ų4754.3 Ų54.325%0.24625%0.253CS..Hα-helixtrans-64.7-43.9178.3-176.365.8000112.5R20 F34 R35R20-L31 HydrophobicContact CG-CD1 4.46Å; L31-F34 PolarHBondContact O-N 2.97Å; L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.43Å
32P90.6Very high92Very high78 Ų7850.9 Ų50.951%0.50624%0.24SC..Hα-helixtrans-60.6-46.8174.1-25.435.4000113.2S30 F34 R35 R36S30-P32 WeakPolarHBondContact OG-CD 3.29Å; P32-F34 VanDerWaalsContact C-N 3.3Å; P32-F34 PolarHBondContact O-N 3.06Å; P32-R35 PolarHBondContact O-N 3.46Å; P32-R36 PolarHBondContact O-N 3.26Å
33D91.5Very high92Very high32 Ų3245.5 Ų45.517%0.17122%0.22CC..Hα-helixtrans-65.2-36.6-179.5-52.8-31.6000111.6L29 S30 R36 L37 F82 K86L29-D33 HydrophobicContact CB-CB 4.36Å; L29-D33 HydrophobicContact CD2-CB 4.33Å; S30-D33 WeakPolarHBondContact CB-OD2 3.5Å; S30-D33 PolarHBondContact OG-N 3.31Å; S30-D33 PolarHBondContact OG-OD1 2.84Å; S30-D33 PolarHBondContact OG-OD2 3.21Å; D33-R36 PolarHBondContact O-N 3.45Å; D33-L37 WeakPolarHBondContact O-CB 3.44Å; D33-L37 PolarHBondContact O-N 2.95Å; D33-F82 HydrophobicContact CB-CD2 3.99Å; D33-F82 HydrophobicContact CB-CE2 4.26Å; D33-K86 WeakPolarHBondContact OD2-CE 3.29Å; D33-K86 IonicContact OD2-NZ 3.37Å; D33-K86 PolarHBondContact OD2-NZ 3.03Å
34F93.5Very high92Very high0 Ų051.4 Ų51.40%024%0.243CC..Hα-helixtrans-63.5-45.8175176.1-101.1000111.2R20 A23 R24 L27 L29 S30 L31 P32 L37 C38 Y65 I70R20-F34 HydrophobicContact CG-CD1 4.38Å; R20-F34 HydrophobicContact CG-CE1 3.93Å; A23-F34 HydrophobicContact CB-CE2 3.97Å; A23-F34 HydrophobicContact CB-CZ 3.87Å; R24-F34 HydrophobicContact CB-CG 4.43Å; R24-F34 HydrophobicContact CG-CB 4.39Å; L27-F34 HydrophobicContact CD1-CD2 3.74Å; L27-F34 HydrophobicContact CD1-CE2 3.69Å; L29-F34 HydrophobicContact CB-CB 4.39Å; S30-F34 WeakPolarHBondContact O-CB 3.49Å; S30-F34 PolarHBondContact O-N 3.29Å; L31-F34 PolarHBondContact O-N 2.97Å; P32-F34 VanDerWaalsContact C-N 3.3Å; P32-F34 PolarHBondContact O-N 3.06Å; F34-L37 PolarHBondContact O-N 3.27Å; F34-C38 WeakPolarHBondContact CZ-SG 3.49Å; F34-C38 PolarHBondContact O-N 3.36Å; F34-C38 PolarHBondContact O-SG 3.3Å; F34-Y65 AromaticContact CE1-CE2 3.82Å; F34-Y65 HydrophobicContact CE1-CE2 3.82Å; F34-Y65 AromaticContact CE1-CZ 3.91Å; F34-Y65 HydrophobicContact CZ-CD2 4.21Å; F34-Y65 AromaticContact CZ-CE2 3.96Å; F34-Y65 HydrophobicContact CZ-CE2 3.96Å; F34-I70 HydrophobicContact CE2-CD1 3.97Å; F34-I70 HydrophobicContact CZ-CD1 4.12Å
35R92.4Very high92.1Very high97 Ų9751.5 Ų51.537%0.36625%0.254SS..Hα-helixtrans-60.7-47175.5-74.8-179.1178.4176.3-2.5111.4L31 P32 L37 C38 I39 D216L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.43Å; P32-R35 PolarHBondContact O-N 3.46Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.31Å; R35-C38 PolarHBondContact O-N 3.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.11Å; R35-I39 PolarHBondContact O-N 2.87Å; R35-D216 IonicContact NH1-OD2 3.59Å
36R92.5Very high92Very high78 Ų7847.8 Ų47.829%0.29424%0.238SC..Hα-helixtrans-56.7-47.9176.6-177.3173.3-160.8-178.215.7111.5P32 D33 C38 I39 L40 F82 Y114 T222 E225P32-R36 PolarHBondContact O-N 3.26Å; D33-R36 PolarHBondContact O-N 3.45Å; R36-C38 VanDerWaalsContact C-N 3.35Å; R36-C38 PolarHBondContact O-N 3.39Å; R36-I39 PolarHBondContact O-N 2.9Å; R36-L40 HydrophobicContact CG-CD1 4.06Å; R36-L40 HydrophobicContact CG-CG 4.39Å; R36-L40 VanDerWaalsContact O-CG 3.28Å; R36-L40 WeakPolarHBondContact O-CG 3.46Å; R36-L40 PolarHBondContact O-N 3.23Å; R36-F82 HydrophobicContact CG-CZ 4.08Å; R36-Y114 PolarHBondContact NE-OH 3.18Å; R36-Y114 PolarHBondContact NH2-OH 3.44Å; R36-T222 HydrophobicContact CB-CG2 4.03Å; R36-T222 HydrophobicContact CG-CG2 3.56Å; R36-E225 IonicContact CZ-OE2 3.96Å; R36-E225 IonicContact NE-OE2 2.77Å; R36-E225 PolarHBondContact NE-OE2 2.72Å; R36-E225 IonicContact NH2-OE1 3.28Å; R36-E225 PolarHBondContact NH2-OE1 2.95Å; R36-E225 IonicContact NH2-OE2 2.7Å; R36-E225 PolarHBondContact NH2-OE2 3.45Å
37L93.1Very high91.9Very high0 Ų050 Ų500%025%0.25CS..Hα-helixtrans-62.5-41.6178.6-172.166.1000112.4L29 D33 F34 R35 I39 L40 K41 L73 E76 I78 V79 F82L29-L37 HydrophobicContact CD1-CD2 3.69Å; D33-L37 WeakPolarHBondContact O-CB 3.44Å; D33-L37 PolarHBondContact O-N 2.95Å; F34-L37 PolarHBondContact O-N 3.27Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.31Å; L37-I39 VanDerWaalsContact C-N 3.33Å; L37-I39 PolarHBondContact O-N 3.39Å; L37-L40 PolarHBondContact O-N 3.06Å; L37-K41 PolarHBondContact O-N 3.22Å; L37-K41 VanDerWaalsContact O-N 3.09Å; L37-L73 HydrophobicContact CD1-CD2 4.33Å; L37-L73 HydrophobicContact CD2-CB 4.23Å; L37-L73 HydrophobicContact CD2-CD1 4.16Å; L37-L73 HydrophobicContact CD2-CD2 3.91Å; L37-L73 HydrophobicContact CD2-CG 4.33Å; L37-L73 HydrophobicContact CG-CD1 4.42Å; L37-L73 HydrophobicContact CG-CD2 3.73Å; L37-E76 HydrophobicContact CD1-CG 4.09Å; L37-I78 HydrophobicContact CD1-CB 4.36Å; L37-I78 HydrophobicContact CD1-CG2 4.3Å; L37-V79 HydrophobicContact CD1-CG2 4.3Å; L37-V79 HydrophobicContact CD2-CG2 3.59Å; L37-F82 HydrophobicContact CB-CE2 4.23Å; L37-F82 HydrophobicContact CD1-CE2 4.49Å
38C93.6Very high91.9Very high7 Ų750.1 Ų50.15%0.04725%0.251CS..Hα-helixtrans-61.3-41.7175.7-71.70000111.9F34 R35 R36 G42 I43F34-C38 WeakPolarHBondContact CZ-SG 3.49Å; F34-C38 PolarHBondContact O-N 3.36Å; F34-C38 PolarHBondContact O-SG 3.3Å; R35-C38 PolarHBondContact O-N 3.3Å; R36-C38 VanDerWaalsContact C-N 3.35Å; R36-C38 PolarHBondContact O-N 3.39Å; C38-G42 PolarHBondContact O-N 2.99Å; C38-I43 PolarHBondContact O-N 3.48Å
39I93.1Very high91.8Very high23 Ų2352.6 Ų52.612%0.11826%0.257CS..Hα-helixtrans-64.8-51177.4-68.4162.3000110.3R35 R36 L37 K41 G42 V219 T222 F223R35-I39 WeakPolarHBondContact O-CG1 3.11Å; R35-I39 PolarHBondContact O-N 2.87Å; R36-I39 PolarHBondContact O-N 2.9Å; L37-I39 VanDerWaalsContact C-N 3.33Å; L37-I39 PolarHBondContact O-N 3.39Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 2.96Å; I39-G42 PolarHBondContact O-N 2.92Å; I39-V219 HydrophobicContact CD1-CB 4.49Å; I39-V219 HydrophobicContact CD1-CG1 3.81Å; I39-T222 WeakPolarHBondContact CD1-OG1 3.44Å; I39-F223 HydrophobicContact CB-CE2 4.48Å; I39-F223 HydrophobicContact CB-CZ 4.4Å; I39-F223 HydrophobicContact CD1-CD2 4.33Å; I39-F223 HydrophobicContact CD1-CE2 3.91Å; I39-F223 HydrophobicContact CG1-CE2 3.88Å; I39-F223 HydrophobicContact CG1-CZ 3.99Å; I39-F223 HydrophobicContact CG2-CD1 3.72Å; I39-F223 HydrophobicContact CG2-CD2 3.83Å; I39-F223 HydrophobicContact CG2-CE1 3.68Å; I39-F223 HydrophobicContact CG2-CE2 3.78Å; I39-F223 HydrophobicContact CG2-CG 3.79Å; I39-F223 HydrophobicContact CG2-CZ 3.71Å
40L92.4Very high91.6Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-56.6-41.1-178.8-70.1176.9000112.2R36 L37 I78 Y114 L116 I119 L226R36-L40 HydrophobicContact CG-CD1 4.06Å; R36-L40 HydrophobicContact CG-CG 4.39Å; R36-L40 VanDerWaalsContact O-CG 3.28Å; R36-L40 WeakPolarHBondContact O-CG 3.46Å; R36-L40 PolarHBondContact O-N 3.23Å; L37-L40 PolarHBondContact O-N 3.06Å; L40-I78 HydrophobicContact CD1-CD1 4.44Å; L40-Y114 HydrophobicContact CD1-CE2 4.46Å; L40-L116 HydrophobicContact CD1-CD2 3.86Å; L40-L116 HydrophobicContact CD2-CD1 3.79Å; L40-L116 HydrophobicContact CD2-CD2 3.69Å; L40-L116 HydrophobicContact CD2-CG 4.43Å; L40-L116 HydrophobicContact CG-CD2 4.28Å; L40-I119 HydrophobicContact CB-CD1 3.97Å; L40-I119 VanDerWaalsContact O-CG2 3.22Å; L40-I119 WeakPolarHBondContact O-CG2 3.48Å; L40-L226 HydrophobicContact CD2-CB 4.22Å
41K91.7Very high91.4Very high27 Ų2760.2 Ų60.212%0.11729%0.286CS..THydrogen-bonded Turntrans-89.1-1.5178.5-78.3-63.4-162.1-172.80115.3L37 I39 I43 F72 L73 E76 I119 E122L37-K41 PolarHBondContact O-N 3.22Å; L37-K41 VanDerWaalsContact O-N 3.09Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 2.96Å; K41-I43 HydrophobicContact CB-CD1 4.1Å; K41-I43 HydrophobicContact CB-CG1 4.31Å; K41-F72 HydrophobicContact CD-CE1 4.28Å; K41-L73 HydrophobicContact CB-CD2 3.94Å; K41-L73 HydrophobicContact CG-CD2 3.8Å; K41-E76 VanDerWaalsContact CE-OE1 3.31Å; K41-E76 WeakPolarHBondContact CE-OE1 3.46Å; K41-E76 WeakPolarHBondContact CE-OE2 3.14Å; K41-E76 VanDerWaalsContact NZ-CD 3.28Å; K41-E76 IonicContact NZ-OE1 3.94Å; K41-E76 PolarHBondContact NZ-OE1 3.07Å; K41-E76 IonicContact NZ-OE2 2.64Å; K41-E76 PolarHBondContact NZ-OE2 2.9Å; K41-I119 HydrophobicContact CD-CG1 4.23Å; K41-I119 HydrophobicContact CD-CG2 4.06Å; K41-E122 IonicContact NZ-OE1 3.92Å; K41-E122 IonicContact NZ-OE2 2.77Å; K41-E122 PolarHBondContact NZ-OE2 3.46Å
42G91.5Very high91.2Very high19 Ų1964.5 Ų64.520%0.19630%0.303CS..THydrogen-bonded Turntrans64.638.1-177.400000114C38 I39 Y44C38-G42 PolarHBondContact O-N 2.99Å; I39-G42 PolarHBondContact O-N 2.92Å; G42-Y44 VanDerWaalsContact O-CD2 3.28Å; G42-Y44 WeakPolarHBondContact O-CD2 3.45Å; G42-Y44 WeakPolarHBondContact O-CE2 3.36Å
43I93.1Very high90.9Very high16 Ų1666.4 Ų66.48%0.08230%0.303CS..  trans-97.1114.3176.7-66.1165.3000109.8C38 K41 Y65 D69 L73C38-I43 PolarHBondContact O-N 3.48Å; K41-I43 HydrophobicContact CB-CD1 4.1Å; K41-I43 HydrophobicContact CB-CG1 4.31Å; I43-Y65 HydrophobicContact CG2-CD1 3.88Å; I43-Y65 HydrophobicContact CG2-CE1 4.34Å; I43-D69 HydrophobicContact CD1-CB 3.96Å; I43-D69 HydrophobicContact CG1-CB 4.12Å; I43-D69 HydrophobicContact CG2-CB 3.9Å; I43-L73 HydrophobicContact CD1-CD1 3.56Å; I43-L73 HydrophobicContact CD1-CD2 3.45Å; I43-L73 VanDerWaalsContact CD1-CD2 3.45Å; I43-L73 HydrophobicContact CD1-CG 3.29Å
44Y92.8Very high90.7Very high125 Ų12565.4 Ų65.449%0.4930%0.298SS..  trans-99.2153-175.4-54-73.1000112.1G42 H46 Y65G42-Y44 VanDerWaalsContact O-CD2 3.28Å; G42-Y44 WeakPolarHBondContact O-CD2 3.45Å; G42-Y44 WeakPolarHBondContact O-CE2 3.36Å; Y44-H46 PolarHBondContact O-CD2 3.31Å; Y44-Y65 WeakPolarHBondContact O-CD1 3.49Å
45P94.3Very high90.4Very high75 Ų7565.9 Ų65.949%0.48730%0.301SS..  trans-66.7141168.829.2-33.1000110.2F64 Y65P45-F64 CarbonylContact C-O 3.48Å; P45-F64 VanDerWaalsContact CA-O 3.27Å; P45-F64 WeakPolarHBondContact CA-O 3.45Å; P45-Y65 HydrophobicContact CB-CE1 4.3Å
46H91.5Very high90.1Very high79 Ų7967 Ų6737%0.36631%0.308SS..BIsolated β-bridgetrans-114145177.9-73.9-82.5000111.8Y17 Y44 P48 F64Y17-H46 HydrophobicContact CD1-CB 4.47Å; Y17-H46 HydrophobicContact CE1-CB 3.91Å; Y44-H46 PolarHBondContact O-CD2 3.31Å; H46-P48 WeakPolarHBondContact O-CD 3.44Å; H46-F64 PolarHBondContact N-O 3.29Å
47E89.9Confident89.7Confident139 Ų13965.5 Ų65.565%0.6532%0.318SS*.  trans-94115.6172.2-169.5161.2-149.800111K51E47-K51 WeakPolarHBondContact OE1-CE 3.41Å; E47-K51 IonicContact OE1-NZ 2.65Å; E47-K51 PolarHBondContact OE1-NZ 3.08Å
48P89.8Confident89.4Confident5 Ų567.7 Ų67.73%0.03233%0.333CS..  trans-75.7133.9-179.728.4-32.8000111.5Y17 H46 H50 K51 V54 F64Y17-P48 HydrophobicContact CD1-CB 4.47Å; Y17-P48 HydrophobicContact CD2-CB 3.91Å; Y17-P48 HydrophobicContact CE1-CB 4.29Å; Y17-P48 HydrophobicContact CE2-CB 3.72Å; Y17-P48 HydrophobicContact CG-CB 4.29Å; H46-P48 WeakPolarHBondContact O-CD 3.44Å; P48-H50 PolarHBondContact O-N 3.19Å; P48-K51 HydrophobicContact CG-CG 4.26Å; P48-V54 HydrophobicContact CB-CB 4.28Å; P48-V54 HydrophobicContact CB-CG2 3.71Å; P48-V54 HydrophobicContact CG-CB 4.25Å; P48-V54 HydrophobicContact CG-CG1 4.35Å; P48-V54 HydrophobicContact CG-CG2 4.23Å; P48-F64 HydrophobicContact CG-CD2 3.74Å; P48-F64 HydrophobicContact CG-CE2 4.04Å; P48-F64 HydrophobicContact CG-CG 4.24Å
49K87.8Confident89Confident203 Ų20372.3 Ų72.388%0.88336%0.361SS*.THydrogen-bonded Turntrans-50.3-34.9175.2-62.3-170178.5-170.90113.5
50H87.2Confident88.7Confident105 Ų10573.1 Ų73.149%0.48637%0.371SS..THydrogen-bonded Turntrans-120.678.1178.1-60.5-53.8000112.6P48 K52 K53 V54P48-H50 PolarHBondContact O-N 3.19Å; H50-K52 VanDerWaalsContact C-N 3.34Å; H50-K52 PolarHBondContact O-N 3.02Å; H50-K53 HydrophobicContact CB-CB 4.12Å; H50-K53 HydrophobicContact CB-CD 4.03Å; H50-K53 HydrophobicContact CB-CG 4.21Å; H50-K53 PolarHBondContact O-N 3.41Å; H50-K53 VanDerWaalsContact O-N 3.13Å; H50-V54 PolarHBondContact O-N 3.23Å
51K85.7Confident88.5Confident109 Ų10979.5 Ų79.547%0.47441%0.413SS..Hα-helixtrans-50.4-45.8-178.9-64176.5-177.31740113.8E47 P48 K53 V54 N55E47-K51 WeakPolarHBondContact OE1-CE 3.41Å; E47-K51 IonicContact OE1-NZ 2.65Å; E47-K51 PolarHBondContact OE1-NZ 3.08Å; P48-K51 HydrophobicContact CG-CG 4.26Å; K51-K53 PolarHBondContact O-N 3.36Å; K51-V54 PolarHBondContact O-N 3.46Å; K51-N55 VanDerWaalsContact O-CB 3.23Å; K51-N55 WeakPolarHBondContact O-CB 3.16Å; K51-N55 PolarHBondContact O-N 2.97Å
52K86.7Confident88.4Confident138 Ų13884.7 Ų84.760%0.643%0.431SS*.Hα-helixtrans-61-42.6180-69.2-177.9-179176.70112.4H50 K56 G57 T59H50-K52 VanDerWaalsContact C-N 3.34Å; H50-K52 PolarHBondContact O-N 3.02Å; K52-K56 PolarHBondContact O-N 3.22Å; K52-G57 WeakPolarHBondContact O-CA 3.32Å; K52-G57 PolarHBondContact O-N 3.22Å; K52-T59 HydrophobicContact CD-CG2 4.17Å; K52-T59 VanDerWaalsContact CE-CG2 3.43Å; K52-T59 HydrophobicContact CG-CG2 3.79Å
53K85Confident88.4Confident118 Ų11886.3 Ų86.351%0.51344%0.438SS..Hα-helixtrans-66.9-43.3179.6-69.7-178.7-179.4172.20111.2Y9 H50 K51Y9-K53 VanDerWaalsContact CD1-O 3.26Å; Y9-K53 WeakPolarHBondContact CD1-O 3.47Å; Y9-K53 WeakPolarHBondContact CE1-O 3.47Å; H50-K53 HydrophobicContact CB-CB 4.12Å; H50-K53 HydrophobicContact CB-CD 4.03Å; H50-K53 HydrophobicContact CB-CG 4.21Å; H50-K53 PolarHBondContact O-N 3.41Å; H50-K53 VanDerWaalsContact O-N 3.13Å; K51-K53 PolarHBondContact O-N 3.36Å
54V86.6Confident88.4Confident11 Ų1186 Ų867%0.06744%0.436CS..Hα-helixtrans-70.6-38-178.9176.80000112.2Y17 P48 H50 K51 K56 F64Y17-V54 HydrophobicContact CD2-CG1 4.21Å; Y17-V54 HydrophobicContact CD2-CG2 3.78Å; Y17-V54 HydrophobicContact CE2-CG2 4.4Å; Y17-V54 HydrophobicContact CG-CG1 4.19Å; P48-V54 HydrophobicContact CB-CB 4.28Å; P48-V54 HydrophobicContact CB-CG2 3.71Å; P48-V54 HydrophobicContact CG-CB 4.25Å; P48-V54 HydrophobicContact CG-CG1 4.35Å; P48-V54 HydrophobicContact CG-CG2 4.23Å; H50-V54 PolarHBondContact O-N 3.23Å; K51-V54 PolarHBondContact O-N 3.46Å; V54-K56 PolarHBondContact O-N 3.42Å; V54-F64 HydrophobicContact CG1-CD1 3.68Å; V54-F64 HydrophobicContact CG1-CE1 3.57Å; V54-F64 HydrophobicContact CG1-CG 4.37Å; V54-F64 HydrophobicContact CG1-CZ 4.19Å
55N87.5Confident88.5Confident9 Ų980.9 Ų80.95%0.04842%0.416CS..THydrogen-bonded Turntrans-90.323.2-178.3-159.619.9000113.2K51 G57 S58 A60 R62 F64K51-N55 VanDerWaalsContact O-CB 3.23Å; K51-N55 WeakPolarHBondContact O-CB 3.16Å; K51-N55 PolarHBondContact O-N 2.97Å; N55-G57 VanDerWaalsContact C-N 3.27Å; N55-G57 PolarHBondContact O-N 3.27Å; N55-S58 WeakPolarHBondContact CB-O 3.33Å; N55-S58 VanDerWaalsContact ND2-CB 3.33Å; N55-S58 WeakPolarHBondContact ND2-CB 3.39Å; N55-S58 PolarHBondContact ND2-O 3.36Å; N55-S58 PolarHBondContact ND2-OG 3.32Å; N55-S58 PolarHBondContact O-N 3.14Å; N55-S58 VanDerWaalsContact O-N 3.1Å; N55-A60 PolarHBondContact ND2-O 2.74Å; N55-R62 WeakPolarHBondContact OD1-CD 3.19Å; N55-R62 PolarHBondContact OD1-NH1 3.01Å; N55-F64 HydrophobicContact CB-CZ 3.96Å
56K86.8Confident88.5Confident120 Ų12079.5 Ų79.552%0.52240%0.404SS..THydrogen-bonded Turntrans51.442.5177.3-58.4-172.1172.5-165.90113.5Y9 K52 V54Y9-K56 HydrophobicContact CD1-CG 4.42Å; Y9-K56 HydrophobicContact CD2-CB 4.49Å; Y9-K56 HydrophobicContact CD2-CG 4.3Å; Y9-K56 HydrophobicContact CE2-CB 4.36Å; Y9-K56 HydrophobicContact CG-CG 4.16Å; K52-K56 PolarHBondContact O-N 3.22Å; V54-K56 PolarHBondContact O-N 3.42Å
57G83.4Confident88.6Confident48 Ų4877.4 Ų77.450%0.49540%0.395SS..THydrogen-bonded Turntrans96-10.617900000115.4K52 N55K52-G57 WeakPolarHBondContact O-CA 3.32Å; K52-G57 PolarHBondContact O-N 3.22Å; N55-G57 VanDerWaalsContact C-N 3.27Å; N55-G57 PolarHBondContact O-N 3.27Å
58S87.2Confident88.7Confident45 Ų4578.8 Ų78.832%0.31540%0.399SS..  trans-87.9139.3-178.9177.70000112.9N55 A60N55-S58 WeakPolarHBondContact CB-O 3.33Å; N55-S58 VanDerWaalsContact ND2-CB 3.33Å; N55-S58 WeakPolarHBondContact ND2-CB 3.39Å; N55-S58 PolarHBondContact ND2-O 3.36Å; N55-S58 PolarHBondContact ND2-OG 3.32Å; N55-S58 PolarHBondContact O-N 3.14Å; N55-S58 VanDerWaalsContact O-N 3.1Å; S58-A60 WeakPolarHBondContact OG-CB 3.49Å; S58-A60 PolarHBondContact OG-N 3.43Å
59T84.9Confident88.9Confident104 Ų10480.3 Ų80.364%0.63841%0.407SS*.  trans-92.53.4173.145.80000113.6K52K52-T59 HydrophobicContact CD-CG2 4.17Å; K52-T59 VanDerWaalsContact CE-CG2 3.43Å; K52-T59 HydrophobicContact CG-CG2 3.79Å
60A87.8Confident89.1Confident40 Ų4070.7 Ų70.733%0.33137%0.365SS..  trans-60.9138.8-176.400000112.1N55 S58 R62N55-A60 PolarHBondContact ND2-O 2.74Å; S58-A60 WeakPolarHBondContact OG-CB 3.49Å; S58-A60 PolarHBondContact OG-N 3.43Å; A60-R62 PolarHBondContact O-N 2.66Å; A60-R62 VanDerWaalsContact O-N 3.15Å
61P87.2Confident89.4Confident135 Ų13572.8 Ų72.888%0.87737%0.369SS*.  trans-64.9117.1178.426.8-33.5000109.4
62R89.9Confident89.7Confident135 Ų13573 Ų7351%0.50937%0.37SS..  trans-137.6141.2179-72-173.9174.2170.8-4.2109.4N55 A60 F64N55-R62 WeakPolarHBondContact OD1-CD 3.19Å; N55-R62 PolarHBondContact OD1-NH1 3.01Å; A60-R62 PolarHBondContact O-N 2.66Å; A60-R62 VanDerWaalsContact O-N 3.15Å; R62-F64 HydrophobicContact CB-CE1 4.46Å; R62-F64 HydrophobicContact CB-CE2 3.9Å; R62-F64 HydrophobicContact CB-CZ 3.81Å; R62-F64 WeakPolarHBondContact O-CD2 3.29Å; R62-F64 WeakPolarHBondContact O-CE2 3.43Å
63T92Very high89.9Confident53 Ų5366.4 Ų66.433%0.32534%0.341SS..  trans-79.8121.7171.553.50000109.5R20R20-T63 VanDerWaalsContact CB-OG1 3.27Å; R20-T63 WeakPolarHBondContact CB-OG1 3.44Å; R20-T63 PolarHBondContact N-O 3.43Å; R20-T63 VanDerWaalsContact N-O 3.07Å
64F93Very high90.1Very high9 Ų964.9 Ų64.94%0.03934%0.338CS..EExtended strand (participates in β ladder)trans-107.1150177-60.2-83.9000110.4Y17 I18 T19 P45 H46 P48 V54 N55 R62Y17-F64 HydrophobicContact CD1-CB 4.21Å; I18-F64 WeakPolarHBondContact O-CA 3.35Å; T19-F64 HydrophobicContact CG2-CD1 3.81Å; T19-F64 HydrophobicContact CG2-CE1 3.44Å; T19-F64 VanDerWaalsContact CG2-CE1 3.44Å; T19-F64 HydrophobicContact CG2-CZ 4.34Å; P45-F64 CarbonylContact C-O 3.48Å; P45-F64 VanDerWaalsContact CA-O 3.27Å; P45-F64 WeakPolarHBondContact CA-O 3.45Å; H46-F64 PolarHBondContact N-O 3.29Å; P48-F64 HydrophobicContact CG-CD2 3.74Å; P48-F64 HydrophobicContact CG-CE2 4.04Å; P48-F64 HydrophobicContact CG-CG 4.24Å; V54-F64 HydrophobicContact CG1-CD1 3.68Å; V54-F64 HydrophobicContact CG1-CE1 3.57Å; V54-F64 HydrophobicContact CG1-CG 4.37Å; V54-F64 HydrophobicContact CG1-CZ 4.19Å; N55-F64 HydrophobicContact CB-CZ 3.96Å; R62-F64 HydrophobicContact CB-CE1 4.46Å; R62-F64 HydrophobicContact CB-CE2 3.9Å; R62-F64 HydrophobicContact CB-CZ 3.81Å; R62-F64 WeakPolarHBondContact O-CD2 3.29Å; R62-F64 WeakPolarHBondContact O-CE2 3.43Å
65Y94.7Very high90.2Very high19 Ų1971.9 Ų71.98%0.07537%0.37CS..EExtended strand (participates in β ladder)trans-124.7157.5171.3-68.1-87.9000108.3Y17 I18 R20 F34 I43 Y44 P45 I70Y17-Y65 CarbonylContact C-O 3.53Å; Y17-Y65 VanDerWaalsContact CA-O 3.31Å; Y17-Y65 WeakPolarHBondContact CA-O 3.45Å; I18-Y65 PolarHBondContact N-O 2.96Å; I18-Y65 PolarHBondContact O-N 3.41Å; R20-Y65 HydrophobicContact CB-CD2 4.37Å; R20-Y65 HydrophobicContact CB-CE2 3.88Å; R20-Y65 HydrophobicContact CG-CE2 4.01Å; F34-Y65 AromaticContact CE1-CE2 3.82Å; F34-Y65 HydrophobicContact CE1-CE2 3.82Å; F34-Y65 AromaticContact CE1-CZ 3.91Å; F34-Y65 HydrophobicContact CZ-CD2 4.21Å; F34-Y65 AromaticContact CZ-CE2 3.96Å; F34-Y65 HydrophobicContact CZ-CE2 3.96Å; I43-Y65 HydrophobicContact CG2-CD1 3.88Å; I43-Y65 HydrophobicContact CG2-CE1 4.34Å; Y44-Y65 WeakPolarHBondContact O-CD1 3.49Å; P45-Y65 HydrophobicContact CB-CE1 4.3Å; Y65-I70 HydrophobicContact CG-CD1 4.44Å
66L94.2Very high90.3Very high46 Ų4672 Ų7224%0.24137%0.37CS..EExtended strand (participates in β ladder)trans-73.2140172.2-63.7168.5000110.1N16 Y17 K68 D69 I70N16-L66 WeakPolarHBondContact O-CA 3.47Å; Y17-L66 HydrophobicContact CD1-CD2 3.81Å; Y17-L66 HydrophobicContact CE1-CD2 3.46Å; Y17-L66 VanDerWaalsContact CE1-CD2 3.46Å; Y17-L66 HydrophobicContact CE1-CG 4.41Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.26Å; L66-D69 WeakPolarHBondContact CB-OD2 3.34Å; L66-D69 PolarHBondContact O-N 3.09Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.13Å
67L92.6Very high90.5Very high35 Ų3569.9 Ų69.918%0.18337%0.368CS..Hα-helixtrans-69.6-28.1-179.4-170.4142.5000111.5N16 R71N16-L67 WeakPolarHBondContact O-CB 3.4Å; N16-L67 PolarHBondContact O-N 3.28Å; L67-R71 HydrophobicContact CD2-CG 4.18Å; L67-R71 WeakPolarHBondContact O-CG 3.44Å; L67-R71 PolarHBondContact O-N 2.65Å
68K92.8Very high90.9Very high168 Ų16867.7 Ų67.773%0.7335%0.346SS*.Hα-helixtrans-60.3-49173.5-172.2-174.9178.8-169.70110.5L66 I70 R71 F72L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.26Å; K68-I70 PolarHBondContact O-N 3.31Å; K68-R71 WeakPolarHBondContact O-CB 3.5Å; K68-R71 PolarHBondContact O-N 3.28Å; K68-R71 VanDerWaalsContact O-N 3.08Å; K68-F72 PolarHBondContact O-N 3.47Å
69D93.5Very high91.1Very high36 Ų3665.8 Ų65.819%0.19333%0.332CS..Hα-helixtrans-66.4-39.7-177.7-50-9.7000111.5I43 L66 R71 F72 L73I43-D69 HydrophobicContact CD1-CB 3.96Å; I43-D69 HydrophobicContact CG1-CB 4.12Å; I43-D69 HydrophobicContact CG2-CB 3.9Å; L66-D69 WeakPolarHBondContact CB-OD2 3.34Å; L66-D69 PolarHBondContact O-N 3.09Å; D69-R71 VanDerWaalsContact C-N 3.29Å; D69-R71 PolarHBondContact O-N 2.87Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.3Å; D69-F72 VanDerWaalsContact O-N 3.16Å; D69-L73 WeakPolarHBondContact O-CG 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å
70I93.5Very high91.3Very high1 Ų163.6 Ų63.61%0.00532%0.321CS..Hα-helixtrans-67.4-29.8175-59.5-52.5000112.1I18 A23 K26 L27 F34 Y65 L66 K68 L73 L74I18-I70 HydrophobicContact CG2-CB 4.37Å; I18-I70 HydrophobicContact CG2-CG1 3.69Å; A23-I70 HydrophobicContact CB-CD1 3.89Å; A23-I70 HydrophobicContact CB-CG1 3.91Å; A23-I70 HydrophobicContact CB-CG2 4.27Å; K26-I70 HydrophobicContact CD-CG2 4.47Å; L27-I70 HydrophobicContact CD1-CG2 4.24Å; L27-I70 HydrophobicContact CG-CG2 4.2Å; F34-I70 HydrophobicContact CE2-CD1 3.97Å; F34-I70 HydrophobicContact CZ-CD1 4.12Å; Y65-I70 HydrophobicContact CG-CD1 4.44Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.13Å; K68-I70 PolarHBondContact O-N 3.31Å; I70-L73 HydrophobicContact CD1-CD1 3.95Å; I70-L74 PolarHBondContact O-N 3.42Å
71R92.2Very high91.5Very high149 Ų14965.4 Ų65.456%0.56232%0.321SS*.Hα-helixtrans-68.6-42.2170.9-76.3178-179.7159.74.4110.6L67 K68 D69 L73 L74 H75L67-R71 HydrophobicContact CD2-CG 4.18Å; L67-R71 WeakPolarHBondContact O-CG 3.44Å; L67-R71 PolarHBondContact O-N 2.65Å; K68-R71 WeakPolarHBondContact O-CB 3.5Å; K68-R71 PolarHBondContact O-N 3.28Å; K68-R71 VanDerWaalsContact O-N 3.08Å; D69-R71 VanDerWaalsContact C-N 3.29Å; D69-R71 PolarHBondContact O-N 2.87Å; R71-L73 VanDerWaalsContact C-N 3.35Å; R71-L73 PolarHBondContact O-N 2.87Å; R71-L74 VanDerWaalsContact O-CB 3.28Å; R71-L74 WeakPolarHBondContact O-CB 3.5Å; R71-L74 PolarHBondContact O-N 3.3Å; R71-L74 VanDerWaalsContact O-N 3.12Å; R71-H75 PolarHBondContact O-CD2 2.88Å
72F91.3Very high91.7Very high114 Ų11459.4 Ų59.450%0.528%0.282SS..Hα-helixtrans-58.4-46.1175.6-177-105.7000111.5K41 K68 D69 L74 H75K41-F72 HydrophobicContact CD-CE1 4.28Å; K68-F72 PolarHBondContact O-N 3.47Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.3Å; D69-F72 VanDerWaalsContact O-N 3.16Å; F72-L74 PolarHBondContact O-N 2.99Å; F72-L74 VanDerWaalsContact O-N 3.08Å; F72-H75 PolarHBondContact O-N 2.99Å
73L91.4Very high91.7Very high0 Ų058.8 Ų58.80%028%0.279CS..Hα-helixtrans-59-22.9175.6-74.5-176.9000115.1L27 L37 K41 I43 D69 I70 R71 H75 E76 V79L27-L73 HydrophobicContact CD1-CB 4.13Å; L27-L73 HydrophobicContact CD1-CD1 4Å; L27-L73 HydrophobicContact CD2-CB 4Å; L37-L73 HydrophobicContact CD1-CD2 4.33Å; L37-L73 HydrophobicContact CD2-CB 4.23Å; L37-L73 HydrophobicContact CD2-CD1 4.16Å; L37-L73 HydrophobicContact CD2-CD2 3.91Å; L37-L73 HydrophobicContact CD2-CG 4.33Å; L37-L73 HydrophobicContact CG-CD1 4.42Å; L37-L73 HydrophobicContact CG-CD2 3.73Å; K41-L73 HydrophobicContact CB-CD2 3.94Å; K41-L73 HydrophobicContact CG-CD2 3.8Å; I43-L73 HydrophobicContact CD1-CD1 3.56Å; I43-L73 HydrophobicContact CD1-CD2 3.45Å; I43-L73 VanDerWaalsContact CD1-CD2 3.45Å; I43-L73 HydrophobicContact CD1-CG 3.29Å; D69-L73 WeakPolarHBondContact O-CG 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å; I70-L73 HydrophobicContact CD1-CD1 3.95Å; R71-L73 VanDerWaalsContact C-N 3.35Å; R71-L73 PolarHBondContact O-N 2.87Å; L73-H75 VanDerWaalsContact C-N 3.28Å; L73-H75 PolarHBondContact O-N 2.83Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 3.01Å; L73-V79 WeakPolarHBondContact O-CG2 3.28Å
74L89.8Confident91.7Very high85 Ų8559.6 Ų59.645%0.44528%0.279SS..Hα-helixtrans-69.4-32-178.3-163151.5000111.4L27 I70 R71 F72 E76L27-L74 HydrophobicContact CD2-CB 4.1Å; I70-L74 PolarHBondContact O-N 3.42Å; R71-L74 VanDerWaalsContact O-CB 3.28Å; R71-L74 WeakPolarHBondContact O-CB 3.5Å; R71-L74 PolarHBondContact O-N 3.3Å; R71-L74 VanDerWaalsContact O-N 3.12Å; F72-L74 PolarHBondContact O-N 2.99Å; F72-L74 VanDerWaalsContact O-N 3.08Å; L74-E76 VanDerWaalsContact C-N 3.31Å
75H88.3Confident91.6Very high159 Ų15964 Ų6474%0.73630%0.296SS*.THydrogen-bonded Turntrans-88.71.8-179.2-64.1-75000113.3R71 F72 L73R71-H75 PolarHBondContact O-CD2 2.88Å; F72-H75 PolarHBondContact O-N 2.99Å; L73-H75 VanDerWaalsContact C-N 3.28Å; L73-H75 PolarHBondContact O-N 2.83Å
76E90.9Very high91.5Very high11 Ų1166.5 Ų66.55%0.05131%0.308CS..  trans-75.6125.7-176.5-178.457.3-161.100112.3L37 K41 L73 L74 I78 V79 H118L37-E76 HydrophobicContact CD1-CG 4.09Å; K41-E76 VanDerWaalsContact CE-OE1 3.31Å; K41-E76 WeakPolarHBondContact CE-OE1 3.46Å; K41-E76 WeakPolarHBondContact CE-OE2 3.14Å; K41-E76 VanDerWaalsContact NZ-CD 3.28Å; K41-E76 IonicContact NZ-OE1 3.94Å; K41-E76 PolarHBondContact NZ-OE1 3.07Å; K41-E76 IonicContact NZ-OE2 2.64Å; K41-E76 PolarHBondContact NZ-OE2 2.9Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 3.01Å; L74-E76 VanDerWaalsContact C-N 3.31Å; E76-I78 HydrophobicContact CG-CB 4.11Å; E76-I78 HydrophobicContact CG-CG1 4.41Å; E76-I78 PolarHBondContact O-N 2.88Å; E76-I78 VanDerWaalsContact O-N 3.16Å; E76-I78 WeakPolarHBondContact OE1-CD1 3.03Å; E76-V79 HydrophobicContact CB-CG2 4.22Å; E76-V79 WeakPolarHBondContact O-CB 3.1Å; E76-V79 PolarHBondContact O-N 3.42Å; E76-V79 VanDerWaalsContact O-N 3.09Å; E76-H118 IonicContact OE1-CD2 2.7Å; E76-H118 IonicContact OE1-CE1 2.73Å; E76-H118 IonicContact OE1-NE2 2.58Å; E76-H118 PolarHBondContact OE1-NE2 3.3Å
77P90.8Very high91.4Very high75 Ų7568.5 Ų68.549%0.48732%0.318SS..Hα-helixtrans-61.4-27.3-176.922.3-35.6000114.1V79 S80 K81P77-V79 PolarHBondContact O-N 3.2Å; P77-S80 WeakPolarHBondContact O-CB 3.31Å; P77-S80 PolarHBondContact O-N 3.3Å; P77-K81 PolarHBondContact O-N 3.21Å
78I91.1Very high91.5Very high3 Ų367.8 Ų67.82%0.01531%0.313CS..Hα-helixtrans-61.6-29.8178.4-62.9172.3000111.6L37 L40 E76 S80 K81 F82 Y114 L116 I119L37-I78 HydrophobicContact CD1-CB 4.36Å; L37-I78 HydrophobicContact CD1-CG2 4.3Å; L40-I78 HydrophobicContact CD1-CD1 4.44Å; E76-I78 HydrophobicContact CG-CB 4.11Å; E76-I78 HydrophobicContact CG-CG1 4.41Å; E76-I78 PolarHBondContact O-N 2.88Å; E76-I78 VanDerWaalsContact O-N 3.16Å; E76-I78 WeakPolarHBondContact OE1-CD1 3.03Å; I78-S80 PolarHBondContact O-N 3.06Å; I78-K81 PolarHBondContact O-N 3.16Å; I78-K81 VanDerWaalsContact O-N 3.1Å; I78-F82 HydrophobicContact CG2-CD1 4.11Å; I78-F82 HydrophobicContact CG2-CD2 4.42Å; I78-F82 HydrophobicContact CG2-CE1 3.6Å; I78-F82 HydrophobicContact CG2-CE2 3.96Å; I78-F82 HydrophobicContact CG2-CZ 3.51Å; I78-F82 PolarHBondContact O-N 2.91Å; I78-Y114 HydrophobicContact CG2-CG 4.48Å; I78-L116 HydrophobicContact CD1-CD2 4.05Å; I78-I119 HydrophobicContact CD1-CD1 3.13Å; I78-I119 HydrophobicContact CD1-CG1 3.96Å
79V90.8Very high91.5Very high5 Ų561.6 Ų61.63%0.0329%0.289CS..Hα-helixtrans-60.4-38.6175.2179.10000110.8L29 L37 L73 E76 P77 R83L29-V79 HydrophobicContact CD1-CG2 4.44Å; L29-V79 HydrophobicContact CD2-CG1 4.32Å; L37-V79 HydrophobicContact CD1-CG2 4.3Å; L37-V79 HydrophobicContact CD2-CG2 3.59Å; L73-V79 WeakPolarHBondContact O-CG2 3.28Å; E76-V79 HydrophobicContact CB-CG2 4.22Å; E76-V79 WeakPolarHBondContact O-CB 3.1Å; E76-V79 PolarHBondContact O-N 3.42Å; E76-V79 VanDerWaalsContact O-N 3.09Å; P77-V79 PolarHBondContact O-N 3.2Å; V79-R83 WeakPolarHBondContact O-CG 3.41Å; V79-R83 PolarHBondContact O-N 2.9Å
80S90.6Very high91.5Very high58 Ų5868.6 Ų68.641%0.40631%0.313SS..Hα-helixtrans-65-44.8174.3-168.10000111P77 I78 F82 R83 E84P77-S80 WeakPolarHBondContact O-CB 3.31Å; P77-S80 PolarHBondContact O-N 3.3Å; I78-S80 PolarHBondContact O-N 3.06Å; S80-F82 VanDerWaalsContact C-N 3.33Å; S80-F82 PolarHBondContact O-N 3.04Å; S80-R83 WeakPolarHBondContact O-CA 3.43Å; S80-R83 WeakPolarHBondContact O-CB 3.36Å; S80-R83 PolarHBondContact O-N 3.23Å; S80-E84 PolarHBondContact O-N 3.45Å
81K91.3Very high91.5Very high77 Ų7774 Ų7434%0.33534%0.336SS..Hα-helixtrans-61.4-37.1178.1-65.2-50.7-165.2-168.60113.3P77 I78 R83 E84 Y85P77-K81 PolarHBondContact O-N 3.21Å; I78-K81 PolarHBondContact O-N 3.16Å; I78-K81 VanDerWaalsContact O-N 3.1Å; K81-R83 VanDerWaalsContact C-N 3.27Å; K81-R83 PolarHBondContact O-N 3.37Å; K81-E84 WeakPolarHBondContact CD-OE2 3.41Å; K81-E84 IonicContact NZ-OE1 3.3Å; K81-E84 PolarHBondContact NZ-OE1 3.28Å; K81-E84 IonicContact NZ-OE2 2.75Å; K81-E84 PolarHBondContact NZ-OE2 2.86Å; K81-E84 PolarHBondContact O-N 3.26Å; K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.47Å
82F91Very high91.6Very high10 Ų1068.5 Ų68.54%0.04432%0.318CS..Hα-helixtrans-63.4-32.8172.4-69.4-11.8000113L29 D33 R36 L37 I78 S80 K86 Y114L29-F82 HydrophobicContact CD2-CB 4.43Å; L29-F82 HydrophobicContact CD2-CD2 4.3Å; D33-F82 HydrophobicContact CB-CD2 3.99Å; D33-F82 HydrophobicContact CB-CE2 4.26Å; R36-F82 HydrophobicContact CG-CZ 4.08Å; L37-F82 HydrophobicContact CB-CE2 4.23Å; L37-F82 HydrophobicContact CD1-CE2 4.49Å; I78-F82 HydrophobicContact CG2-CD1 4.11Å; I78-F82 HydrophobicContact CG2-CD2 4.42Å; I78-F82 HydrophobicContact CG2-CE1 3.6Å; I78-F82 HydrophobicContact CG2-CE2 3.96Å; I78-F82 HydrophobicContact CG2-CZ 3.51Å; I78-F82 PolarHBondContact O-N 2.91Å; S80-F82 VanDerWaalsContact C-N 3.33Å; S80-F82 PolarHBondContact O-N 3.04Å; F82-K86 WeakPolarHBondContact O-CG 3.32Å; F82-K86 PolarHBondContact O-N 3.49Å; F82-Y114 HydrophobicContact CD1-CD1 4.47Å; F82-Y114 HydrophobicContact CD1-CE1 4.38Å; F82-Y114 HydrophobicContact CE1-CD1 4.06Å; F82-Y114 AromaticContact CE1-CE1 3.65Å; F82-Y114 HydrophobicContact CE1-CE1 3.65Å
83R90Very high91.8Very high121 Ų12171.8 Ų71.846%0.45733%0.327SS..Hα-helixtrans-73-44.5175.6-64.6169.7-176.4178.62.5110.9V79 S80 K81 Y85 K86 I87V79-R83 WeakPolarHBondContact O-CG 3.41Å; V79-R83 PolarHBondContact O-N 2.9Å; S80-R83 WeakPolarHBondContact O-CA 3.43Å; S80-R83 WeakPolarHBondContact O-CB 3.36Å; S80-R83 PolarHBondContact O-N 3.23Å; K81-R83 VanDerWaalsContact C-N 3.27Å; K81-R83 PolarHBondContact O-N 3.37Å; R83-Y85 VanDerWaalsContact C-N 3.3Å; R83-Y85 PolarHBondContact O-N 3.49Å; R83-K86 PolarHBondContact O-N 3.44Å; R83-I87 WeakPolarHBondContact O-CG1 3.5Å; R83-I87 PolarHBondContact O-N 3.4Å
84E91.8Very high91.9Very high70 Ų7079.9 Ų79.933%0.32736%0.358SS..Hα-helixtrans-55.9-45.8173-70170.7-149.700111S80 K81 K86 I87 F88 P112S80-E84 PolarHBondContact O-N 3.45Å; K81-E84 WeakPolarHBondContact CD-OE2 3.41Å; K81-E84 IonicContact NZ-OE1 3.3Å; K81-E84 PolarHBondContact NZ-OE1 3.28Å; K81-E84 IonicContact NZ-OE2 2.75Å; K81-E84 PolarHBondContact NZ-OE2 2.86Å; K81-E84 PolarHBondContact O-N 3.26Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.9Å; E84-I87 WeakPolarHBondContact O-CB 3.4Å; E84-I87 PolarHBondContact O-N 2.9Å; E84-I87 VanDerWaalsContact O-N 3.14Å; E84-F88 WeakPolarHBondContact O-CB 3.42Å; E84-F88 PolarHBondContact O-N 3.03Å; E84-P112 HydrophobicContact CB-CB 4.36Å
85Y92.1Very high92.1Very high103 Ų10376.1 Ų76.140%0.40434%0.338SS..Hα-helixtrans-61-40.1177.3-171.2-96.4000112.6K81 R83 I87 F88 V89 K111 P112K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.47Å; R83-Y85 VanDerWaalsContact C-N 3.3Å; R83-Y85 PolarHBondContact O-N 3.49Å; Y85-I87 PolarHBondContact O-N 3.39Å; Y85-F88 HydrophobicContact CD2-CD1 4.12Å; Y85-F88 HydrophobicContact CE2-CD1 4.06Å; Y85-F88 HydrophobicContact CE2-CE1 4.25Å; Y85-F88 WeakPolarHBondContact O-CB 3.41Å; Y85-F88 PolarHBondContact O-N 2.81Å; Y85-V89 HydrophobicContact CD1-CG2 4.01Å; Y85-V89 HydrophobicContact CE1-CG2 3.64Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 3.07Å; Y85-K111 HydrophobicContact CE2-CG 4.43Å; Y85-P112 HydrophobicContact CD2-CG 4.12Å
86K91.2Very high92.4Very high71 Ų7172.6 Ų72.631%0.30932%0.319SS..Hα-helixtrans-65-38.8174.6-76.5176.4-177.1166.90112.6D33 F82 R83 E84 V89 R90D33-K86 WeakPolarHBondContact OD2-CE 3.29Å; D33-K86 IonicContact OD2-NZ 3.37Å; D33-K86 PolarHBondContact OD2-NZ 3.03Å; F82-K86 WeakPolarHBondContact O-CG 3.32Å; F82-K86 PolarHBondContact O-N 3.49Å; R83-K86 PolarHBondContact O-N 3.44Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.9Å; K86-V89 PolarHBondContact O-N 3.14Å; K86-R90 WeakPolarHBondContact O-CG 3.4Å; K86-R90 PolarHBondContact O-N 3.13Å; K86-R90 VanDerWaalsContact O-N 3.08Å
87I92.8Very high92.6Very high88 Ų8875.3 Ų75.345%0.45135%0.35SS..Hα-helixtrans-64.7-44.8175-65.6165000109.6R83 E84 Y85 V89 R90 K91R83-I87 WeakPolarHBondContact O-CG1 3.5Å; R83-I87 PolarHBondContact O-N 3.4Å; E84-I87 WeakPolarHBondContact O-CB 3.4Å; E84-I87 PolarHBondContact O-N 2.9Å; E84-I87 VanDerWaalsContact O-N 3.14Å; Y85-I87 PolarHBondContact O-N 3.39Å; I87-V89 PolarHBondContact O-N 3.37Å; I87-R90 WeakPolarHBondContact O-CB 3.36Å; I87-R90 PolarHBondContact O-N 3.42Å; I87-K91 HydrophobicContact CG2-CD 4.27Å; I87-K91 HydrophobicContact CG2-CG 4.44Å; I87-K91 WeakPolarHBondContact O-CG 3.25Å; I87-K91 PolarHBondContact O-N 3.06Å
88F94.3Very high92.8Very high19 Ų1977.5 Ų77.58%0.08335%0.352CS..Hα-helixtrans-55-51.4174.4163.3-106.3000111.6E84 Y85 R90 K91 L92 L107 K111 P112E84-F88 WeakPolarHBondContact O-CB 3.42Å; E84-F88 PolarHBondContact O-N 3.03Å; Y85-F88 HydrophobicContact CD2-CD1 4.12Å; Y85-F88 HydrophobicContact CE2-CD1 4.06Å; Y85-F88 HydrophobicContact CE2-CE1 4.25Å; Y85-F88 WeakPolarHBondContact O-CB 3.41Å; Y85-F88 PolarHBondContact O-N 2.81Å; F88-R90 VanDerWaalsContact C-N 3.29Å; F88-R90 PolarHBondContact O-N 3.18Å; F88-K91 PolarHBondContact O-N 2.93Å; F88-K91 VanDerWaalsContact O-N 3.14Å; F88-L92 HydrophobicContact CE1-CD1 4.2Å; F88-L92 HydrophobicContact CE2-CB 4.47Å; F88-L92 HydrophobicContact CE2-CD1 3.99Å; F88-L92 HydrophobicContact CZ-CD1 3.53Å; F88-L92 WeakPolarHBondContact O-CB 3.33Å; F88-L92 PolarHBondContact O-N 3.36Å; F88-L107 HydrophobicContact CE2-CB 4.03Å; F88-L107 WeakPolarHBondContact CE2-O 3.37Å; F88-K111 HydrophobicContact CE1-CG 4.07Å; F88-K111 HydrophobicContact CZ-CB 4.27Å; F88-K111 HydrophobicContact CZ-CG 4.31Å; F88-P112 HydrophobicContact CB-CG 3.87Å; F88-P112 HydrophobicContact CD1-CG 4.44Å; F88-P112 HydrophobicContact CG-CG 4.17Å
89V92.9Very high92.9Very high38 Ų3882 Ų8223%0.2338%0.38CS..Hα-helixtrans-59.5-38.5177.8172.10000111.9Y85 K86 I87 R93Y85-V89 HydrophobicContact CD1-CG2 4.01Å; Y85-V89 HydrophobicContact CE1-CG2 3.64Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 3.07Å; K86-V89 PolarHBondContact O-N 3.14Å; I87-V89 PolarHBondContact O-N 3.37Å; V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.33Å; V89-R93 PolarHBondContact O-N 3.03Å
90R93.5Very high93.1Very high183 Ų18386.1 Ų86.169%0.69140%0.399SS*.Hα-helixtrans-66.2-43.5175.7-72.4174.2-176.9-177.40.4112.2K86 I87 F88 R94K86-R90 WeakPolarHBondContact O-CG 3.4Å; K86-R90 PolarHBondContact O-N 3.13Å; K86-R90 VanDerWaalsContact O-N 3.08Å; I87-R90 WeakPolarHBondContact O-CB 3.36Å; I87-R90 PolarHBondContact O-N 3.42Å; F88-R90 VanDerWaalsContact C-N 3.29Å; F88-R90 PolarHBondContact O-N 3.18Å; R90-R94 WeakPolarHBondContact O-CB 3.45Å; R90-R94 PolarHBondContact O-N 3.07Å
91K94Very high93.1Very high115 Ų11591 Ų9150%0.541%0.409SS..Hα-helixtrans-63.1-44.7176.3-73.3-178.1177.8-177.10110.9I87 F88 R94 A95 L107I87-K91 HydrophobicContact CG2-CD 4.27Å; I87-K91 HydrophobicContact CG2-CG 4.44Å; I87-K91 WeakPolarHBondContact O-CG 3.25Å; I87-K91 PolarHBondContact O-N 3.06Å; F88-K91 PolarHBondContact O-N 2.93Å; F88-K91 VanDerWaalsContact O-N 3.14Å; K91-R94 WeakPolarHBondContact O-CB 3.33Å; K91-R94 PolarHBondContact O-N 3.35Å; K91-A95 PolarHBondContact O-N 3.01Å; K91-L107 HydrophobicContact CB-CD1 4.1Å; K91-L107 HydrophobicContact CB-CD2 4.36Å; K91-L107 HydrophobicContact CD-CD2 4.49Å
92L94.3Very high93.2Very high33 Ų3391.9 Ų91.917%0.17342%0.424CS..Hα-helixtrans-61.3-48177.5-179146.4000111.1F88 R94 A95 Y96 K108F88-L92 HydrophobicContact CE1-CD1 4.2Å; F88-L92 HydrophobicContact CE2-CB 4.47Å; F88-L92 HydrophobicContact CE2-CD1 3.99Å; F88-L92 HydrophobicContact CZ-CD1 3.53Å; F88-L92 WeakPolarHBondContact O-CB 3.33Å; F88-L92 PolarHBondContact O-N 3.36Å; L92-R94 VanDerWaalsContact C-N 3.29Å; L92-R94 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 3.46Å; L92-Y96 HydrophobicContact CD1-CE2 4.36Å; L92-Y96 HydrophobicContact CD2-CD2 3.49Å; L92-Y96 VanDerWaalsContact CD2-CD2 3.49Å; L92-Y96 HydrophobicContact CD2-CE2 3.49Å; L92-Y96 VanDerWaalsContact CD2-CE2 3.49Å; L92-Y96 HydrophobicContact CG-CD2 3.83Å; L92-Y96 HydrophobicContact CG-CE2 3.76Å; L92-Y96 VanDerWaalsContact O-CD2 3.31Å; L92-Y96 WeakPolarHBondContact O-CD2 3.31Å; L92-Y96 PolarHBondContact O-N 3.18Å; L92-K108 HydrophobicContact CD1-CG 4.23Å
93R94.6Very high93.2Very high184 Ų18492.2 Ų92.269%0.69443%0.429SS*.Hα-helixtrans-59-38.6174.8-75.8178.9-175.3-1730.1112.9V89 G97V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.33Å; V89-R93 PolarHBondContact O-N 3.03Å; R93-G97 PolarHBondContact O-N 3.49Å
94R94.9Very high93.3Very high170 Ų17086.6 Ų86.664%0.64241%0.408SS*.Hα-helixtrans-65.6-44.5176.5-175.7-178.3-68.4159.1-4.1111.5R90 K91 L92 G97 K98R90-R94 WeakPolarHBondContact O-CB 3.45Å; R90-R94 PolarHBondContact O-N 3.07Å; K91-R94 WeakPolarHBondContact O-CB 3.33Å; K91-R94 PolarHBondContact O-N 3.35Å; L92-R94 VanDerWaalsContact C-N 3.29Å; L92-R94 PolarHBondContact O-N 2.87Å; R94-G97 PolarHBondContact O-N 2.8Å; R94-K98 WeakPolarHBondContact O-CG 3.27Å; R94-K98 PolarHBondContact O-N 3.16Å
95A93.6Very high93.4Very high5 Ų589 Ų894%0.04142%0.419CS..Hα-helixtrans-64.3-42.9177.900000111.7K91 L92 K98 T99 E100 A103 V104 L107K91-A95 PolarHBondContact O-N 3.01Å; L92-A95 PolarHBondContact O-N 3.46Å; A95-K98 CarbonylContact O-C 3.33Å; A95-K98 PolarHBondContact O-N 2.66Å; A95-T99 PolarHBondContact O-N 2.71Å; A95-T99 VanDerWaalsContact O-N 3.09Å; A95-E100 PolarHBondContact O-N 2.96Å; A95-E100 VanDerWaalsContact O-N 3.09Å; A95-A103 HydrophobicContact CB-CB 4.37Å; A95-V104 HydrophobicContact CB-CG2 3.64Å; A95-L107 HydrophobicContact CB-CD1 4.17Å
96Y93.9Very high93.4Very high86 Ų8691.6 Ų91.634%0.33743%0.428SS..Hα-helixtrans-59.8-46.5172.3-90.3-73.2000112.5L92 K98 T99 W101 V104 K108L92-Y96 HydrophobicContact CD1-CE2 4.36Å; L92-Y96 HydrophobicContact CD2-CD2 3.49Å; L92-Y96 VanDerWaalsContact CD2-CD2 3.49Å; L92-Y96 HydrophobicContact CD2-CE2 3.49Å; L92-Y96 VanDerWaalsContact CD2-CE2 3.49Å; L92-Y96 HydrophobicContact CG-CD2 3.83Å; L92-Y96 HydrophobicContact CG-CE2 3.76Å; L92-Y96 VanDerWaalsContact O-CD2 3.31Å; L92-Y96 WeakPolarHBondContact O-CD2 3.31Å; L92-Y96 PolarHBondContact O-N 3.18Å; Y96-K98 PolarHBondContact O-N 2.75Å; Y96-T99 PolarHBondContact O-N 3.38Å; Y96-W101 HydrophobicContact CD1-CZ3 4.11Å; Y96-W101 HydrophobicContact CE1-CH2 4.49Å; Y96-W101 AromaticContact CE1-CZ3 3.76Å; Y96-W101 HydrophobicContact CE1-CZ3 3.76Å; Y96-V104 HydrophobicContact CD1-CG2 4.38Å; Y96-V104 HydrophobicContact CD2-CG1 4.14Å; Y96-V104 HydrophobicContact CD2-CG2 3.94Å; Y96-V104 HydrophobicContact CE1-CG1 4.16Å; Y96-V104 HydrophobicContact CE2-CB 4.47Å; Y96-V104 HydrophobicContact CE2-CG1 3.45Å; Y96-V104 VanDerWaalsContact CE2-CG1 3.45Å; Y96-V104 HydrophobicContact CE2-CG2 4.11Å; Y96-V104 HydrophobicContact CG-CG2 4.08Å; Y96-V104 VanDerWaalsContact CZ-CG1 3.48Å; Y96-K108 WeakPolarHBondContact OH-CE 3.43Å; Y96-K108 PolarHBondContact OH-NZ 3.26Å; Y96-K108 VanDerWaalsContact OH-NZ 3.13Å
97G94.6Very high93.5Very high68 Ų6889.9 Ų89.970%0.70142%0.422SS*.Hα-helixtrans-65.2-23.6178.600000113.8R93 R94R93-G97 PolarHBondContact O-N 3.49Å; R94-G97 PolarHBondContact O-N 2.8Å
98K95.1Very high93.4Very high120 Ų12090.8 Ų90.852%0.52242%0.423SS..THydrogen-bonded Turntrans-91.3-0.4172.4-69.8-174173.6-1630113.8R94 A95 Y96 E100R94-K98 WeakPolarHBondContact O-CG 3.27Å; R94-K98 PolarHBondContact O-N 3.16Å; A95-K98 CarbonylContact O-C 3.33Å; A95-K98 PolarHBondContact O-N 2.66Å; Y96-K98 PolarHBondContact O-N 2.75Å; K98-E100 HydrophobicContact CB-CG 4.01Å; K98-E100 VanDerWaalsContact CD-OE1 3.29Å; K98-E100 WeakPolarHBondContact CD-OE1 3.25Å; K98-E100 IonicContact NZ-OE1 3.93Å; K98-E100 PolarHBondContact O-N 3.37Å
99T93.3Very high93.3Very high97 Ų9797.4 Ų97.460%0.59545%0.454SS*.THydrogen-bonded Turntrans55.627.8-175.655.40000114.5A95 Y96 W101A95-T99 PolarHBondContact O-N 2.71Å; A95-T99 VanDerWaalsContact O-N 3.09Å; Y96-T99 PolarHBondContact O-N 3.38Å; T99-W101 PolarHBondContact O-N 3.21Å
100E94.4Very high93.1Very high93 Ų93101 Ų10144%0.43547%0.472SS..  trans-8582.6177.6-69.5172.4-165.700110.5A95 K98 S102 A103 V104A95-E100 PolarHBondContact O-N 2.96Å; A95-E100 VanDerWaalsContact O-N 3.09Å; K98-E100 HydrophobicContact CB-CG 4.01Å; K98-E100 VanDerWaalsContact CD-OE1 3.29Å; K98-E100 WeakPolarHBondContact CD-OE1 3.25Å; K98-E100 IonicContact NZ-OE1 3.93Å; K98-E100 PolarHBondContact O-N 3.37Å; E100-S102 PolarHBondContact O-N 2.84Å; E100-A103 HydrophobicContact CB-CB 4.01Å; E100-A103 PolarHBondContact O-N 3.24Å; E100-V104 WeakPolarHBondContact O-CG2 3.35Å; E100-V104 PolarHBondContact O-N 2.92Å; E100-V104 VanDerWaalsContact O-N 3.12Å
101W91.9Very high93Very high161 Ų16198 Ų9861%0.6146%0.464SS*.Hα-helixtrans-61.5-42.6-172.7-59.9109.3000114.4Y96 T99 A103 V104 E105Y96-W101 HydrophobicContact CD1-CZ3 4.11Å; Y96-W101 HydrophobicContact CE1-CH2 4.49Å; Y96-W101 AromaticContact CE1-CZ3 3.76Å; Y96-W101 HydrophobicContact CE1-CZ3 3.76Å; T99-W101 PolarHBondContact O-N 3.21Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 3.46Å; W101-V104 WeakPolarHBondContact O-CB 3.49Å; W101-V104 PolarHBondContact O-N 3.27Å; W101-V104 VanDerWaalsContact O-N 3.09Å; W101-E105 PolarHBondContact O-N 2.9Å
102S92.8Very high92.8Very high94 Ų9494 Ų9466%0.65745%0.449SS*.Hα-helixtrans-61.7-39.5177.51740000112.4E100 V104 E105 R106E100-S102 PolarHBondContact O-N 2.84Å; S102-V104 VanDerWaalsContact C-N 3.31Å; S102-V104 PolarHBondContact O-N 2.88Å; S102-E105 PolarHBondContact O-N 3.03Å; S102-R106 PolarHBondContact O-N 3.43Å
103A90.8Very high92.5Very high18 Ų1896.2 Ų96.215%0.14947%0.473CS..Hα-helixtrans-67.4-34.7175.900000111.7A95 E100 W101 L107A95-A103 HydrophobicContact CB-CB 4.37Å; E100-A103 HydrophobicContact CB-CB 4.01Å; E100-A103 PolarHBondContact O-N 3.24Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 3.46Å; A103-L107 VanDerWaalsContact O-CB 3.3Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.49Å; A103-L107 WeakPolarHBondContact O-CG 3.19Å; A103-L107 PolarHBondContact O-N 3.44Å
104V92.5Very high92.3Very high3 Ų389.4 Ų89.42%0.01845%0.448CS..Hα-helixtrans-63.8-46.1174.6169.40000111.1A95 Y96 E100 W101 S102 L107 K108A95-V104 HydrophobicContact CB-CG2 3.64Å; Y96-V104 HydrophobicContact CD1-CG2 4.38Å; Y96-V104 HydrophobicContact CD2-CG1 4.14Å; Y96-V104 HydrophobicContact CD2-CG2 3.94Å; Y96-V104 HydrophobicContact CE1-CG1 4.16Å; Y96-V104 HydrophobicContact CE2-CB 4.47Å; Y96-V104 HydrophobicContact CE2-CG1 3.45Å; Y96-V104 VanDerWaalsContact CE2-CG1 3.45Å; Y96-V104 HydrophobicContact CE2-CG2 4.11Å; Y96-V104 HydrophobicContact CG-CG2 4.08Å; Y96-V104 VanDerWaalsContact CZ-CG1 3.48Å; E100-V104 WeakPolarHBondContact O-CG2 3.35Å; E100-V104 PolarHBondContact O-N 2.92Å; E100-V104 VanDerWaalsContact O-N 3.12Å; W101-V104 WeakPolarHBondContact O-CB 3.49Å; W101-V104 PolarHBondContact O-N 3.27Å; W101-V104 VanDerWaalsContact O-N 3.09Å; S102-V104 VanDerWaalsContact C-N 3.31Å; S102-V104 PolarHBondContact O-N 2.88Å; V104-L107 PolarHBondContact O-N 2.97Å; V104-K108 HydrophobicContact CG1-CD 4.2Å; V104-K108 HydrophobicContact CG1-CG 4.44Å; V104-K108 WeakPolarHBondContact O-CG 3.29Å; V104-K108 PolarHBondContact O-N 2.86Å
105E93.5Very high92.1Very high120 Ų12088.4 Ų88.456%0.56145%0.448SS*.Hα-helixtrans-62.1-51.4178.6-74.5174.7176.700111.6W101 S102 L107 K108 E109W101-E105 PolarHBondContact O-N 2.9Å; S102-E105 PolarHBondContact O-N 3.03Å; E105-L107 PolarHBondContact O-N 2.89Å; E105-K108 WeakPolarHBondContact O-CA 3.49Å; E105-K108 WeakPolarHBondContact O-CB 3.46Å; E105-K108 PolarHBondContact O-N 3.03Å; E105-E109 PolarHBondContact O-N 3.5Å
106R93.4Very high92Very high158 Ų15888.4 Ų88.460%0.59645%0.447SS*.Hα-helixtrans-56.4-38.7175.8-174.3-178.865.8-179.4-3.5112.4S102 N110S102-R106 PolarHBondContact O-N 3.43Å; R106-N110 WeakPolarHBondContact O-CB 3.41Å; R106-N110 PolarHBondContact O-N 3.2Å; R106-N110 PolarHBondContact O-ND2 2.84Å
107L92.1Very high91.9Very high35 Ų3587 Ų8718%0.18345%0.445CS..Hα-helixtrans-67-44.1175.1-77171.7000111F88 K91 A95 A103 V104 E105 E109 N110 K111F88-L107 HydrophobicContact CE2-CB 4.03Å; F88-L107 WeakPolarHBondContact CE2-O 3.37Å; K91-L107 HydrophobicContact CB-CD1 4.1Å; K91-L107 HydrophobicContact CB-CD2 4.36Å; K91-L107 HydrophobicContact CD-CD2 4.49Å; A95-L107 HydrophobicContact CB-CD1 4.17Å; A103-L107 VanDerWaalsContact O-CB 3.3Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.49Å; A103-L107 WeakPolarHBondContact O-CG 3.19Å; A103-L107 PolarHBondContact O-N 3.44Å; V104-L107 PolarHBondContact O-N 2.97Å; E105-L107 PolarHBondContact O-N 2.89Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.29Å; L107-N110 CarbonylContact O-C 3.6Å; L107-N110 PolarHBondContact O-N 2.7Å; L107-K111 PolarHBondContact O-N 3.09Å
108K90.8Very high91.7Very high107 Ų10786.4 Ų86.447%0.46542%0.424SS..Hα-helixtrans-59.8-40.9178.3-77.8176.5177.2179.10112.4L92 Y96 V104 E105 N110 K111L92-K108 HydrophobicContact CD1-CG 4.23Å; Y96-K108 WeakPolarHBondContact OH-CE 3.43Å; Y96-K108 PolarHBondContact OH-NZ 3.26Å; Y96-K108 VanDerWaalsContact OH-NZ 3.13Å; V104-K108 HydrophobicContact CG1-CD 4.2Å; V104-K108 HydrophobicContact CG1-CG 4.44Å; V104-K108 WeakPolarHBondContact O-CG 3.29Å; V104-K108 PolarHBondContact O-N 2.86Å; E105-K108 WeakPolarHBondContact O-CA 3.49Å; E105-K108 WeakPolarHBondContact O-CB 3.46Å; E105-K108 PolarHBondContact O-N 3.03Å; K108-N110 VanDerWaalsContact C-N 3.34Å; K108-K111 WeakPolarHBondContact O-CB 3.5Å; K108-K111 PolarHBondContact O-N 3.28Å
109E91.5Very high91.6Very high157 Ų15780.8 Ų80.873%0.73440%0.4SS*.Hα-helixtrans-63.1-42.2174.8-69.1174.1170.500111.3E105 L107 K111E105-E109 PolarHBondContact O-N 3.5Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.29Å; E109-K111 PolarHBondContact O-N 3.04Å; E109-K111 VanDerWaalsContact O-N 3.12Å
110N89.9Confident91.5Very high114 Ų11476.6 Ų76.661%0.6137%0.374SS*.THydrogen-bonded Turntrans-84.831.7178-68.4-63.3000113.5R106 L107 K108 P112R106-N110 WeakPolarHBondContact O-CB 3.41Å; R106-N110 PolarHBondContact O-N 3.2Å; R106-N110 PolarHBondContact O-ND2 2.84Å; L107-N110 CarbonylContact O-C 3.6Å; L107-N110 PolarHBondContact O-N 2.7Å; K108-N110 VanDerWaalsContact C-N 3.34Å; N110-P112 WeakPolarHBondContact O-CD 3.43Å
111K90.2Very high91.4Very high121 Ų12178.9 Ų78.953%0.52638%0.383SS..  trans-62.5122.1178.3179.5-176.3177.4-170.80109.5Y85 F88 L107 K108 E109 A113Y85-K111 HydrophobicContact CE2-CG 4.43Å; F88-K111 HydrophobicContact CE1-CG 4.07Å; F88-K111 HydrophobicContact CZ-CB 4.27Å; F88-K111 HydrophobicContact CZ-CG 4.31Å; L107-K111 PolarHBondContact O-N 3.09Å; K108-K111 WeakPolarHBondContact O-CB 3.5Å; K108-K111 PolarHBondContact O-N 3.28Å; E109-K111 PolarHBondContact O-N 3.04Å; E109-K111 VanDerWaalsContact O-N 3.12Å; K111-A113 PolarHBondContact O-N 3Å; K111-A113 VanDerWaalsContact O-N 3.1Å
112P90.6Very high91.3Very high29 Ų2976.2 Ų76.219%0.18838%0.377CS..  trans-69.1114.6177.926.7-31.2000109.5E84 Y85 F88 N110E84-P112 HydrophobicContact CB-CB 4.36Å; Y85-P112 HydrophobicContact CD2-CG 4.12Å; F88-P112 HydrophobicContact CB-CG 3.87Å; F88-P112 HydrophobicContact CD1-CG 4.44Å; F88-P112 HydrophobicContact CG-CG 4.17Å; N110-P112 WeakPolarHBondContact O-CD 3.43Å
113A87.7Confident91.2Very high81 Ų8175.8 Ų75.867%0.66936%0.361SS*.  trans-100.7150.4168.700000109.7K111K111-A113 PolarHBondContact O-N 3Å; K111-A113 VanDerWaalsContact O-N 3.1Å
114Y90.8Very high91.3Very high41 Ų4175.9 Ų75.916%0.16136%0.358CS..  trans-111.7157.2168.863-97.2000108.7R36 L40 I78 F82 L116 E225R36-Y114 PolarHBondContact NE-OH 3.18Å; R36-Y114 PolarHBondContact NH2-OH 3.44Å; L40-Y114 HydrophobicContact CD1-CE2 4.46Å; I78-Y114 HydrophobicContact CG2-CG 4.48Å; F82-Y114 HydrophobicContact CD1-CD1 4.47Å; F82-Y114 HydrophobicContact CD1-CE1 4.38Å; F82-Y114 HydrophobicContact CE1-CD1 4.06Å; F82-Y114 AromaticContact CE1-CE1 3.65Å; F82-Y114 HydrophobicContact CE1-CE1 3.65Å; Y114-L116 HydrophobicContact CD2-CD2 3.93Å; Y114-L116 HydrophobicContact CD2-CG 4.38Å; Y114-L116 HydrophobicContact CE2-CD2 3.6Å; Y114-L116 HydrophobicContact CE2-CG 4.02Å; Y114-E225 WeakPolarHBondContact CE2-OE1 3.21Å; Y114-E225 PolarHBondContact OH-OE1 2.64Å; Y114-E225 PolarHBondContact OH-OE2 3.35Å
115K90.8Very high91.2Very high149 Ų14980.7 Ų80.765%0.64839%0.389SS*.  trans-107.7153.1174.3-62-173.4176.6-171.30109.4H118K115-H118 PolarHBondContact O-CE1 2.72Å
116L92.1Very high91.1Very high4 Ų478.3 Ų78.32%0.02138%0.382CS..  trans-105.5-1178.3-62.8179.4000112.5L40 I78 Y114 H118 I119 V120 E225 L226 T229L40-L116 HydrophobicContact CD1-CD2 3.86Å; L40-L116 HydrophobicContact CD2-CD1 3.79Å; L40-L116 HydrophobicContact CD2-CD2 3.69Å; L40-L116 HydrophobicContact CD2-CG 4.43Å; L40-L116 HydrophobicContact CG-CD2 4.28Å; I78-L116 HydrophobicContact CD1-CD2 4.05Å; Y114-L116 HydrophobicContact CD2-CD2 3.93Å; Y114-L116 HydrophobicContact CD2-CG 4.38Å; Y114-L116 HydrophobicContact CE2-CD2 3.6Å; Y114-L116 HydrophobicContact CE2-CG 4.02Å; L116-H118 VanDerWaalsContact C-N 3.3Å; L116-H118 PolarHBondContact O-N 3.15Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 WeakPolarHBondContact O-CB 3.4Å; L116-I119 PolarHBondContact O-N 2.95Å; L116-V120 PolarHBondContact O-N 3.09Å; L116-E225 HydrophobicContact CD1-CG 3.9Å; L116-L226 HydrophobicContact CD1-CD1 4.43Å; L116-T229 HydrophobicContact CB-CG2 4.19Å; L116-T229 HydrophobicContact CD1-CG2 4.16Å
117D91.4Very high91Very high57 Ų5771.8 Ų71.831%0.30536%0.358SS..Hα-helixtrans-53-43.6-172.8-46.2-4.2000112.8K121 F233D117-K121 WeakPolarHBondContact O-CG 3.33Å; D117-K121 PolarHBondContact O-N 3.28Å; D117-K121 VanDerWaalsContact O-N 3.17Å; D117-F233 HydrophobicContact CB-CE2 4.16Å; D117-F233 HydrophobicContact CB-CZ 3.81Å
118H90.8Very high91Very high55 Ų5574 Ų7426%0.25537%0.37SS..Hα-helixtrans-70.6-33.6178.965.4-71.2000112.1E76 K115 L116 E122E76-H118 IonicContact OE1-CD2 2.7Å; E76-H118 IonicContact OE1-CE1 2.73Å; E76-H118 IonicContact OE1-NE2 2.58Å; E76-H118 PolarHBondContact OE1-NE2 3.3Å; K115-H118 PolarHBondContact O-CE1 2.72Å; L116-H118 VanDerWaalsContact C-N 3.3Å; L116-H118 PolarHBondContact O-N 3.15Å; H118-E122 IonicContact CD2-OE1 3.42Å; H118-E122 WeakPolarHBondContact O-CB 3.38Å; H118-E122 VanDerWaalsContact O-CG 3.23Å; H118-E122 WeakPolarHBondContact O-CG 3.44Å; H118-E122 PolarHBondContact O-N 2.94Å
119I92Very high91.1Very high2 Ų271.5 Ų71.51%0.0136%0.362CS..Hα-helixtrans-68.3-44.3176-58.7171.2000110.9L40 K41 I78 L116 K121 E122 R123L40-I119 HydrophobicContact CB-CD1 3.97Å; L40-I119 VanDerWaalsContact O-CG2 3.22Å; L40-I119 WeakPolarHBondContact O-CG2 3.48Å; K41-I119 HydrophobicContact CD-CG1 4.23Å; K41-I119 HydrophobicContact CD-CG2 4.06Å; I78-I119 HydrophobicContact CD1-CD1 3.13Å; I78-I119 HydrophobicContact CD1-CG1 3.96Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 WeakPolarHBondContact O-CB 3.4Å; L116-I119 PolarHBondContact O-N 2.95Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 3.32Å; I119-E122 PolarHBondContact O-N 3.29Å; I119-R123 VanDerWaalsContact O-CB 3.31Å; I119-R123 WeakPolarHBondContact O-CB 3.46Å; I119-R123 PolarHBondContact O-N 3.31Å
120V92.3Very high91.2Very high9 Ų964.4 Ų64.46%0.05533%0.329CS..Hα-helixtrans-59.6-45.6179.6175.80000109.8L116 R123 Y124 L226 L230 F233L116-V120 PolarHBondContact O-N 3.09Å; V120-R123 PolarHBondContact O-N 2.88Å; V120-Y124 HydrophobicContact CG1-CD2 4.24Å; V120-Y124 WeakPolarHBondContact O-CD2 3.21Å; V120-Y124 PolarHBondContact O-N 2.74Å; V120-L226 HydrophobicContact CG2-CD1 4.13Å; V120-L230 HydrophobicContact CG1-CD1 3.8Å; V120-F233 HydrophobicContact CB-CD2 4.41Å; V120-F233 HydrophobicContact CG1-CD2 4.06Å
121K91Very high91.3Very high142 Ų14259 Ų5962%0.61730%0.301SS*.Hα-helixtrans-66.9-35.4177.7-69.5179.8179.9-172.20114D117 I119 Y124D117-K121 WeakPolarHBondContact O-CG 3.33Å; D117-K121 PolarHBondContact O-N 3.28Å; D117-K121 VanDerWaalsContact O-N 3.17Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 3.32Å; K121-Y124 CarbonylContact O-C 3.54Å
122E90.8Very high91.3Very high105 Ų10560.1 Ų60.149%0.49130%0.302SS..Hα-helixtrans-70.2-37.3175-77.8172-157.900112.2K41 H118 I119K41-E122 IonicContact NZ-OE1 3.92Å; K41-E122 IonicContact NZ-OE2 2.77Å; K41-E122 PolarHBondContact NZ-OE2 3.46Å; H118-E122 IonicContact CD2-OE1 3.42Å; H118-E122 WeakPolarHBondContact O-CB 3.38Å; H118-E122 VanDerWaalsContact O-CG 3.23Å; H118-E122 WeakPolarHBondContact O-CG 3.44Å; H118-E122 PolarHBondContact O-N 2.94Å; I119-E122 PolarHBondContact O-N 3.29Å
123R90.5Very high91.3Very high84 Ų8462.2 Ų62.232%0.31731%0.311SS..Hα-helixtrans-76.4-35.1-178.9-170.7176.9178.8-145.5-10.4112I119 V120 P125 D133I119-R123 VanDerWaalsContact O-CB 3.31Å; I119-R123 WeakPolarHBondContact O-CB 3.46Å; I119-R123 PolarHBondContact O-N 3.31Å; V120-R123 PolarHBondContact O-N 2.88Å; R123-P125 WeakPolarHBondContact O-CD 3.34Å; R123-D133 IonicContact NH2-OD2 2.7Å; R123-D133 PolarHBondContact NH2-OD2 3.42Å
124Y91.9Very high91.6Very high21 Ų2158.3 Ų58.38%0.08228%0.279CS..  trans-123.185.1-179.2-56.1-69.2000110V120 K121 T126 D129 A130 D133 L230V120-Y124 HydrophobicContact CG1-CD2 4.24Å; V120-Y124 WeakPolarHBondContact O-CD2 3.21Å; V120-Y124 PolarHBondContact O-N 2.74Å; K121-Y124 CarbonylContact O-C 3.54Å; Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 2.66Å; Y124-D129 HydrophobicContact CD1-CB 4.2Å; Y124-A130 HydrophobicContact CD1-CB 4.32Å; Y124-A130 HydrophobicContact CG-CB 4.04Å; Y124-D133 HydrophobicContact CE1-CB 3.62Å; Y124-D133 VanDerWaalsContact CE1-OD2 3.23Å; Y124-D133 WeakPolarHBondContact CE1-OD2 3.44Å; Y124-D133 WeakPolarHBondContact OH-CB 3.27Å; Y124-D133 PolarHBondContact OH-OD2 2.83Å; Y124-L230 HydrophobicContact CD2-CD1 3.69Å; Y124-L230 HydrophobicContact CE2-CD1 3.76Å; Y124-L230 HydrophobicContact CE2-CD2 4Å; Y124-L230 HydrophobicContact CE2-CG 4.5Å; Y124-L230 HydrophobicContact CG-CD1 4.5Å
125P91.4Very high91.6Very high103 Ų10358.5 Ų58.567%0.66928%0.283SS*.SBendtrans-64.9-35.9180-21.233.6000112.2R123R123-P125 WeakPolarHBondContact O-CD 3.34Å
126T91.1Very high91.6Very high70 Ų7056.4 Ų56.443%0.42928%0.279SS..SBendtrans-109.5159.3175.480.90000111.3Y124 D129 A130Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 2.66Å; T126-D129 WeakPolarHBondContact CB-OD2 3.49Å; T126-D129 PolarHBondContact N-OD2 3Å; T126-D129 PolarHBondContact OG1-N 2.96Å; T126-D129 PolarHBondContact OG1-OD1 3.11Å; T126-D129 PolarHBondContact OG1-OD2 3.03Å; T126-A130 PolarHBondContact O-N 3.49Å
127F91.9Very high91.7Very high21 Ų2156.2 Ų56.29%0.09228%0.278CS..Hα-helixtrans-72.9-33.1178.3-175-115000113.5D129 A130 L131 M195 V234 R237 L238F127-D129 VanDerWaalsContact C-N 3.28Å; F127-D129 PolarHBondContact O-N 2.72Å; F127-A130 WeakPolarHBondContact O-CB 3.5Å; F127-A130 PolarHBondContact O-N 3.38Å; F127-A130 VanDerWaalsContact O-N 3.14Å; F127-L131 HydrophobicContact CD1-CD1 3.87Å; F127-L131 HydrophobicContact CD1-CG 4.25Å; F127-L131 HydrophobicContact CE1-CD1 3.6Å; F127-L131 HydrophobicContact CE1-CD2 4.26Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.33Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CG 4.22Å; F127-L131 PolarHBondContact O-N 2.95Å; F127-M195 HydrophobicContact CD1-SD 3.81Å; F127-M195 HydrophobicContact CE1-SD 3.47Å; F127-M195 WeakPolarHBondContact CE1-SD 3.43Å; F127-V234 HydrophobicContact CE2-CB 4.35Å; F127-V234 HydrophobicContact CE2-CG1 4.15Å; F127-V234 HydrophobicContact CE2-CG2 4.17Å; F127-V234 HydrophobicContact CZ-CG1 4.08Å; F127-R237 HydrophobicContact CD2-CB 4.43Å; F127-R237 VanDerWaalsContact CD2-CD 3.41Å; F127-R237 HydrophobicContact CD2-CG 4.18Å; F127-R237 HydrophobicContact CE1-CG 4.22Å; F127-R237 HydrophobicContact CE2-CB 3.77Å; F127-R237 HydrophobicContact CE2-CG 3.8Å; F127-R237 VanDerWaalsContact CG-CZ 3.44Å; F127-R237 VanDerWaalsContact CG-NE 3.31Å; F127-R237 HydrophobicContact CZ-CB 4.02Å; F127-R237 HydrophobicContact CZ-CG 3.82Å; F127-L238 HydrophobicContact CE1-CD2 3.85Å; F127-L238 HydrophobicContact CZ-CD2 3.64Å; F127-L238 HydrophobicContact CZ-CG 3.94Å
128I92.2Very high91.8Very high83 Ų8353.5 Ų53.543%0.42626%0.263SS..Hα-helixtrans-65.1-38.3177-63.6165.8000109.5A130 L131 R132I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.11Å; I128-L131 PolarHBondContact O-N 3.23Å; I128-L131 VanDerWaalsContact O-N 3.15Å; I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.19Å
129D91.6Very high92Very high54 Ų5452.8 Ų52.829%0.28926%0.264SS..Hα-helixtrans-60.9-38.2173.6-59.4-34.8000111.8Y124 T126 F127Y124-D129 HydrophobicContact CD1-CB 4.2Å; T126-D129 WeakPolarHBondContact CB-OD2 3.49Å; T126-D129 PolarHBondContact N-OD2 3Å; T126-D129 PolarHBondContact OG1-N 2.96Å; T126-D129 PolarHBondContact OG1-OD1 3.11Å; T126-D129 PolarHBondContact OG1-OD2 3.03Å; F127-D129 VanDerWaalsContact C-N 3.28Å; F127-D129 PolarHBondContact O-N 2.72Å
130A93.7Very high92Very high7 Ų754.5 Ų54.56%0.05827%0.273CS..Hα-helixtrans-66.9-38.6175.100000112.3Y124 T126 F127 I128 I134 L230 V234Y124-A130 HydrophobicContact CD1-CB 4.32Å; Y124-A130 HydrophobicContact CG-CB 4.04Å; T126-A130 PolarHBondContact O-N 3.49Å; F127-A130 WeakPolarHBondContact O-CB 3.5Å; F127-A130 PolarHBondContact O-N 3.38Å; F127-A130 VanDerWaalsContact O-N 3.14Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.11Å; A130-I134 PolarHBondContact O-N 2.57Å; A130-L230 HydrophobicContact CB-CD1 4.06Å; A130-V234 HydrophobicContact CB-CG2 4.28Å
131L91.9Very high92Very high1 Ų154.1 Ų54.11%0.00527%0.27CS..Hα-helixtrans-67.8-36.9177-73.1175.4000112.3F127 I128 D133 I134 V194 M195 I199 V234F127-L131 HydrophobicContact CD1-CD1 3.87Å; F127-L131 HydrophobicContact CD1-CG 4.25Å; F127-L131 HydrophobicContact CE1-CD1 3.6Å; F127-L131 HydrophobicContact CE1-CD2 4.26Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.33Å; F127-L131 HydrophobicContact CZ-CD2 4.17Å; F127-L131 HydrophobicContact CZ-CG 4.22Å; F127-L131 PolarHBondContact O-N 2.95Å; I128-L131 PolarHBondContact O-N 3.23Å; I128-L131 VanDerWaalsContact O-N 3.15Å; L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 3.4Å; L131-I134 WeakPolarHBondContact O-CG2 3.49Å; L131-I134 PolarHBondContact O-N 3.14Å; L131-V194 HydrophobicContact CD1-CG1 4.33Å; L131-V194 HydrophobicContact CD2-CG1 4.25Å; L131-M195 HydrophobicContact CD1-CB 4.2Å; L131-M195 HydrophobicContact CD1-SD 4.49Å; L131-I199 HydrophobicContact CD2-CD1 4.14Å; L131-V234 HydrophobicContact CD2-CG1 3.9Å
132R90.9Very high92.1Very high145 Ų14547.7 Ų47.755%0.54724%0.242SC..Hα-helixtrans-63.4-32.3178.6-75.8174.9178.6175.70.4113.7I128 Q197I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.19Å; R132-Q197 HydrophobicContact CG-CG 4.19Å
133D90.7Very high92Very high72 Ų7245 Ų4539%0.38523%0.231SC..THydrogen-bonded Turntrans-96.94.7-178.7-91.317.9000113R123 Y124 L131R123-D133 IonicContact NH2-OD2 2.7Å; R123-D133 PolarHBondContact NH2-OD2 3.42Å; Y124-D133 HydrophobicContact CE1-CB 3.62Å; Y124-D133 VanDerWaalsContact CE1-OD2 3.23Å; Y124-D133 WeakPolarHBondContact CE1-OD2 3.44Å; Y124-D133 WeakPolarHBondContact OH-CB 3.27Å; Y124-D133 PolarHBondContact OH-OD2 2.83Å; L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 3.4Å
134I92.9Very high91.9Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-77.1-21.7-171.7-151.6-178.6000113.3A130 L131 D136 A137 L138 W168 I199 L231 V234A130-I134 PolarHBondContact O-N 2.57Å; L131-I134 WeakPolarHBondContact O-CG2 3.49Å; L131-I134 PolarHBondContact O-N 3.14Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 2.91Å; I134-A137 HydrophobicContact CG1-CB 4.39Å; I134-A137 CarbonylContact O-C 3.56Å; I134-A137 WeakPolarHBondContact O-CA 3.18Å; I134-A137 VanDerWaalsContact O-CB 3.3Å; I134-A137 WeakPolarHBondContact O-CB 3.44Å; I134-A137 PolarHBondContact O-N 2.97Å; I134-L138 HydrophobicContact CG1-CG 4.27Å; I134-L138 HydrophobicContact CG2-CD1 4.06Å; I134-L138 WeakPolarHBondContact O-CG 3.17Å; I134-L138 PolarHBondContact O-N 2.74Å; I134-W168 HydrophobicContact CD1-CE3 4.45Å; I134-W168 HydrophobicContact CD1-CH2 4.23Å; I134-W168 HydrophobicContact CD1-CZ3 3.84Å; I134-I199 HydrophobicContact CG2-CD1 3.79Å; I134-I199 HydrophobicContact CG2-CG1 4.11Å; I134-I199 HydrophobicContact CG2-CG2 3.72Å; I134-L231 HydrophobicContact CD1-CD1 3.89Å; I134-L231 HydrophobicContact CG1-CD1 4.29Å; I134-V234 HydrophobicContact CD1-CB 4.06Å; I134-V234 HydrophobicContact CD1-CG1 3.63Å; I134-V234 HydrophobicContact CD1-CG2 4.12Å
135D92.1Very high91.7Very high44 Ų4441 Ų4124%0.23522%0.219CC..Hα-helixtrans-53.9-48.9-177.1-70.91.9000111.7A137 L138 C139 I199 T200D135-A137 VanDerWaalsContact C-N 3.32Å; D135-A137 PolarHBondContact O-N 3.11Å; D135-L138 PolarHBondContact O-N 3.4Å; D135-C139 PolarHBondContact O-N 2.89Å; D135-C139 PolarHBondContact O-SG 3.33Å; D135-I199 WeakPolarHBondContact OD1-CA 3.33Å; D135-I199 WeakPolarHBondContact OD1-CG2 3.37Å; D135-T200 WeakPolarHBondContact CB-O 3.41Å; D135-T200 VanDerWaalsContact CG-O 3.23Å; D135-T200 PolarHBondContact OD1-N 3.15Å; D135-T200 PolarHBondContact OD2-N 3.11Å
136D90.9Very high91.4Very high105 Ų10537.6 Ų37.656%0.56120%0.196SC*.Hα-helixtrans-62.7-39.5176.3-79.4-12.8000111.9I134 M140I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 2.91Å; D136-M140 WeakPolarHBondContact O-CB 3.29Å; D136-M140 WeakPolarHBondContact O-CG 3.41Å; D136-M140 PolarHBondContact O-N 2.96Å
137A93.4Very high91Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-66-41.2-179.900000111.3I134 D135 C141 Y227 L230I134-A137 HydrophobicContact CG1-CB 4.39Å; I134-A137 CarbonylContact O-C 3.56Å; I134-A137 WeakPolarHBondContact O-CA 3.18Å; I134-A137 VanDerWaalsContact O-CB 3.3Å; I134-A137 WeakPolarHBondContact O-CB 3.44Å; I134-A137 PolarHBondContact O-N 2.97Å; D135-A137 VanDerWaalsContact C-N 3.32Å; D135-A137 PolarHBondContact O-N 3.11Å; A137-C141 WeakPolarHBondContact O-CB 3.5Å; A137-C141 PolarHBondContact O-N 3.23Å; A137-C141 PolarHBondContact O-SG 2.82Å; A137-Y227 HydrophobicContact CB-CD1 3.44Å; A137-Y227 VanDerWaalsContact CB-CD1 3.44Å; A137-Y227 HydrophobicContact CB-CE1 4.12Å; A137-Y227 HydrophobicContact CB-CG 3.7Å; A137-L230 HydrophobicContact CB-CD2 4.27Å
138L94.5Very high90.3Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-64.7-52.7175.7-71171.8000110.4I134 D135 M140 C141 F142 W168 I199 W201 L231I134-L138 HydrophobicContact CG1-CG 4.27Å; I134-L138 HydrophobicContact CG2-CD1 4.06Å; I134-L138 WeakPolarHBondContact O-CG 3.17Å; I134-L138 PolarHBondContact O-N 2.74Å; D135-L138 PolarHBondContact O-N 3.4Å; L138-M140 VanDerWaalsContact C-N 3.29Å; L138-M140 PolarHBondContact O-N 3.49Å; L138-C141 PolarHBondContact O-N 3.03Å; L138-C141 VanDerWaalsContact O-N 3.1Å; L138-F142 HydrophobicContact CB-CD2 4.39Å; L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 HydrophobicContact CD2-CE2 4.36Å; L138-F142 WeakPolarHBondContact O-CD2 3.36Å; L138-F142 PolarHBondContact O-N 2.86Å; L138-W168 HydrophobicContact CD1-CD2 4.29Å; L138-W168 HydrophobicContact CD1-CH2 4.31Å; L138-W168 HydrophobicContact CD1-CZ2 3.69Å; L138-W168 HydrophobicContact CD2-CB 4.32Å; L138-W168 HydrophobicContact CD2-CD2 3.71Å; L138-W168 HydrophobicContact CD2-CE3 4.29Å; L138-W168 HydrophobicContact CD2-CG 3.67Å; L138-I199 HydrophobicContact CD1-CG2 3.75Å; L138-W201 HydrophobicContact CB-CB 3.8Å; L138-W201 HydrophobicContact CB-CG 4.11Å; L138-W201 HydrophobicContact CD1-CB 4.17Å; L138-W201 HydrophobicContact CD1-CD2 4Å; L138-W201 HydrophobicContact CD1-CE3 4Å; L138-W201 HydrophobicContact CD1-CG 4.1Å; L138-L231 HydrophobicContact CD2-CD1 3.64Å; L138-L231 HydrophobicContact CD2-CD2 4.4Å; L138-L231 HydrophobicContact CG-CD1 4.49Å
139C93.5Very high89.6Confident41 Ų4141.4 Ų41.428%0.27721%0.209SC..Hα-helixtrans-54.6-45.4179.6-66.40000111.9D135 L143 L202D135-C139 PolarHBondContact O-N 2.89Å; D135-C139 PolarHBondContact O-SG 3.33Å; C139-L143 WeakPolarHBondContact O-CB 3.47Å; C139-L143 PolarHBondContact O-N 2.97Å; C139-L202 PolarHBondContact SG-N 2.84Å
140M91.6Very high88.7Confident38 Ų3841 Ų4119%0.18721%0.209CC..Hα-helixtrans-68.3-40.1178.2-74.6-70.6-7200112.6D136 L138 L143 F144 M220 F223 Y227D136-M140 WeakPolarHBondContact O-CB 3.29Å; D136-M140 WeakPolarHBondContact O-CG 3.41Å; D136-M140 PolarHBondContact O-N 2.96Å; L138-M140 VanDerWaalsContact C-N 3.29Å; L138-M140 PolarHBondContact O-N 3.49Å; M140-L143 PolarHBondContact O-N 3.14Å; M140-F144 HydrophobicContact CE-CD2 4.46Å; M140-F144 HydrophobicContact CE-CE2 3.82Å; M140-F144 VanDerWaalsContact O-CD2 3.3Å; M140-F144 WeakPolarHBondContact O-CD2 3.31Å; M140-F144 PolarHBondContact O-N 3.12Å; M140-M220 HydrophobicContact CE-CB 4.13Å; M140-M220 HydrophobicContact CE-CE 3.8Å; M140-M220 HydrophobicContact CE-CG 4.39Å; M140-M220 HydrophobicContact SD-CE 4.08Å; M140-F223 HydrophobicContact CE-CB 4.41Å; M140-Y227 HydrophobicContact CB-CD2 4Å; M140-Y227 HydrophobicContact CB-CE2 4.32Å; M140-Y227 HydrophobicContact CG-CD2 4.24Å; M140-Y227 HydrophobicContact CG-CE2 4.05Å
141C92.9Very high87.4Confident0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-65.7-41.2176.8-71.90000111.9A137 L138 F144 S145 C161 T165 L231A137-C141 WeakPolarHBondContact O-CB 3.5Å; A137-C141 PolarHBondContact O-N 3.23Å; A137-C141 PolarHBondContact O-SG 2.82Å; L138-C141 PolarHBondContact O-N 3.03Å; L138-C141 VanDerWaalsContact O-N 3.1Å; C141-F144 PolarHBondContact O-N 2.8Å; C141-S145 WeakPolarHBondContact O-CB 3.43Å; C141-S145 PolarHBondContact O-N 2.79Å; C141-C161 HydrophobicContact CB-CB 4.48Å; C141-T165 HydrophobicContact CB-CG2 3.75Å; C141-L231 HydrophobicContact CB-CD2 4.28Å
142F92.6Very high86.3Confident8 Ų850.9 Ų50.94%0.03528%0.277CS..Hα-helixtrans-66.2-35.8174.4-80.9-69.4000112.5L138 S145 T165 M169 W201 V203L138-F142 HydrophobicContact CB-CD2 4.39Å; L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 HydrophobicContact CD2-CE2 4.36Å; L138-F142 WeakPolarHBondContact O-CD2 3.36Å; L138-F142 PolarHBondContact O-N 2.86Å; F142-S145 PolarHBondContact O-N 2.72Å; F142-S145 PolarHBondContact O-OG 3.02Å; F142-T165 HydrophobicContact CD1-CG2 3.78Å; F142-T165 HydrophobicContact CD2-CG2 4.12Å; F142-T165 HydrophobicContact CE1-CG2 3.85Å; F142-T165 HydrophobicContact CE2-CG2 4.16Å; F142-T165 HydrophobicContact CG-CG2 3.9Å; F142-T165 HydrophobicContact CZ-CG2 4.03Å; F142-M169 HydrophobicContact CE1-CE 3.47Å; F142-M169 VanDerWaalsContact CE1-CE 3.47Å; F142-M169 HydrophobicContact CE1-CG 4.46Å; F142-M169 HydrophobicContact CE1-SD 4Å; F142-M169 HydrophobicContact CZ-CE 3.77Å; F142-M169 HydrophobicContact CZ-CG 4.12Å; F142-M169 HydrophobicContact CZ-SD 4.25Å; F142-W201 AromaticContact CD2-CD1 3.77Å; F142-W201 AromaticContact CE2-CD1 3.51Å; F142-W201 HydrophobicContact CE2-CG 4.48Å; F142-W201 AromaticContact CE2-NE1 3.53Å; F142-V203 HydrophobicContact CD1-CG1 4.03Å; F142-V203 HydrophobicContact CD1-CG2 3.86Å; F142-V203 HydrophobicContact CD2-CG2 3.98Å; F142-V203 HydrophobicContact CE1-CG2 3.98Å; F142-V203 HydrophobicContact CE2-CG2 4.12Å; F142-V203 HydrophobicContact CG-CG2 3.88Å; F142-V203 HydrophobicContact CZ-CG2 4.12Å
143L89.6Confident85.2Confident48 Ų4844.4 Ų44.425%0.25125%0.254SS..Hα-helixtrans-66.8-43.2173.4-178.764.4000112.1C139 M140 S145 T146 F147 M220C139-L143 WeakPolarHBondContact O-CB 3.47Å; C139-L143 PolarHBondContact O-N 2.97Å; M140-L143 PolarHBondContact O-N 3.14Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 2.85Å; L143-T146 PolarHBondContact O-N 3.22Å; L143-T146 PolarHBondContact O-OG1 3.13Å; L143-F147 HydrophobicContact CD1-CE1 3.9Å; L143-F147 HydrophobicContact CD1-CZ 4.07Å; L143-F147 HydrophobicContact CD2-CZ 4.1Å; L143-F147 HydrophobicContact CG-CE1 4.02Å; L143-F147 HydrophobicContact CG-CE2 4.41Å; L143-F147 HydrophobicContact CG-CZ 3.72Å; L143-M220 HydrophobicContact CD2-CE 3.96Å
144F88.9Confident84.5Confident3 Ų347.3 Ų47.31%0.01327%0.265CS..Hα-helixtrans-70.5-22.6179.5-91-104000113.1M140 C141 F147 C161 M220 T224M140-F144 HydrophobicContact CE-CD2 4.46Å; M140-F144 HydrophobicContact CE-CE2 3.82Å; M140-F144 VanDerWaalsContact O-CD2 3.3Å; M140-F144 WeakPolarHBondContact O-CD2 3.31Å; M140-F144 PolarHBondContact O-N 3.12Å; C141-F144 PolarHBondContact O-N 2.8Å; F144-F147 HydrophobicContact CD1-CD2 4.05Å; F144-F147 HydrophobicContact CD1-CE2 4.3Å; F144-F147 HydrophobicContact CD2-CD2 4.5Å; F144-F147 HydrophobicContact CD2-CE2 4.09Å; F144-F147 HydrophobicContact CE1-CD2 4.35Å; F144-F147 HydrophobicContact CE1-CE2 4.32Å; F144-F147 HydrophobicContact CE2-CE2 4.13Å; F144-F147 HydrophobicContact CG-CD2 4.14Å; F144-F147 HydrophobicContact CG-CE2 4.2Å; F144-F147 HydrophobicContact CZ-CE2 4.24Å; F144-C161 HydrophobicContact CB-CB 4.26Å; F144-M220 HydrophobicContact CE2-CB 4.01Å; F144-M220 HydrophobicContact CE2-CE 4Å; F144-M220 HydrophobicContact CZ-CB 3.72Å; F144-T224 HydrophobicContact CB-CG2 4.31Å; F144-T224 HydrophobicContact CD1-CG2 4.12Å; F144-T224 HydrophobicContact CD2-CG2 4.17Å; F144-T224 WeakPolarHBondContact CD2-OG1 3.45Å; F144-T224 WeakPolarHBondContact CE2-OG1 3.25Å; F144-T224 HydrophobicContact CG-CG2 3.94Å; F144-T224 VanDerWaalsContact CZ-OG1 3.26Å; F144-T224 WeakPolarHBondContact CZ-OG1 3.43Å
145S87.6Confident84Confident19 Ų1949.5 Ų49.513%0.13328%0.278CS..Hα-helixtrans-71.5-31178760000112.3C141 F142 L143 R162C141-S145 WeakPolarHBondContact O-CB 3.43Å; C141-S145 PolarHBondContact O-N 2.79Å; F142-S145 PolarHBondContact O-N 2.72Å; F142-S145 PolarHBondContact O-OG 3.02Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 2.85Å; S145-R162 PolarHBondContact O-NE 2.84Å; S145-R162 PolarHBondContact O-NH2 3.41Å
146T85.1Confident83.6Confident30 Ų3054.6 Ų54.618%0.18430%0.301CS..Hα-helixtrans-80.5-17.8177.864.70000113.6L143 A148 P204L143-T146 PolarHBondContact O-N 3.22Å; L143-T146 PolarHBondContact O-OG1 3.13Å; T146-A148 PolarHBondContact O-N 3.45Å; T146-P204 HydrophobicContact CG2-CG 3.87Å
147F82.6Confident83.4Confident15 Ų1551.2 Ų51.27%0.06628%0.284CS..  trans-63.6134.3179.8-70.3-17.2000112.8L143 F144 I158 Y217L143-F147 HydrophobicContact CD1-CE1 3.9Å; L143-F147 HydrophobicContact CD1-CZ 4.07Å; L143-F147 HydrophobicContact CD2-CZ 4.1Å; L143-F147 HydrophobicContact CG-CE1 4.02Å; L143-F147 HydrophobicContact CG-CE2 4.41Å; L143-F147 HydrophobicContact CG-CZ 3.72Å; F144-F147 HydrophobicContact CD1-CD2 4.05Å; F144-F147 HydrophobicContact CD1-CE2 4.3Å; F144-F147 HydrophobicContact CD2-CD2 4.5Å; F144-F147 HydrophobicContact CD2-CE2 4.09Å; F144-F147 HydrophobicContact CE1-CD2 4.35Å; F144-F147 HydrophobicContact CE1-CE2 4.32Å; F144-F147 HydrophobicContact CE2-CE2 4.13Å; F144-F147 HydrophobicContact CG-CD2 4.14Å; F144-F147 HydrophobicContact CG-CE2 4.2Å; F144-F147 HydrophobicContact CZ-CE2 4.24Å; F147-I158 HydrophobicContact CB-CD1 4.47Å; F147-Y217 HydrophobicContact CE2-CE1 4.11Å; F147-Y217 HydrophobicContact CZ-CE1 4.26Å
148A77.2Confident83.1Confident58 Ų5851.4 Ų51.448%0.47929%0.285SS..  trans-66.9154.4171.100000111T146 T150T146-A148 PolarHBondContact O-N 3.45Å; A148-T150 VanDerWaalsContact C-N 3.31Å; A148-T150 PolarHBondContact O-N 3.28Å; A148-T150 PolarHBondContact O-OG1 3.31Å
149R76.9Confident82.8Confident182 Ų18255.9 Ų55.969%0.68731%0.306SS*.  trans-66.388.1176.7-63.9170.789.8165.45109.6V155R149-V155 HydrophobicContact CB-CG2 4.4Å; R149-V155 HydrophobicContact CG-CG1 4.48Å; R149-V155 HydrophobicContact CG-CG2 4.37Å
150T72.5Confident82.6Confident45 Ų4557.4 Ų57.428%0.27631%0.311SS..  trans-107.1150.4176.645.80000110.9A148 K152 C153A148-T150 VanDerWaalsContact C-N 3.31Å; A148-T150 PolarHBondContact O-N 3.28Å; A148-T150 PolarHBondContact O-OG1 3.31Å; T150-K152 PolarHBondContact O-N 2.9Å; T150-C153 PolarHBondContact O-N 3.26Å; T150-C153 VanDerWaalsContact O-N 3.12Å
151G65.9Low82.6Confident95 Ų9555.6 Ų55.698%0.97930%0.302SS*.THydrogen-bonded Turntrans-64-5.5-178.200000115.8
152K69Low82.4Confident121 Ų12161.4 Ų61.453%0.52632%0.324SS..THydrogen-bonded Turntrans-88.5-29.1176.2-65.1179.6-176.7172.90112.6T150 Y217T150-K152 PolarHBondContact O-N 2.9Å; K152-Y217 HydrophobicContact CD-CD2 4.26Å
153C69.6Low82.2Confident9 Ų966.1 Ų66.16%0.06134%0.341CS..SBendtrans-105.8137.7-178.2-680000109.8T150 V155 I158T150-C153 PolarHBondContact O-N 3.26Å; T150-C153 VanDerWaalsContact O-N 3.12Å; C153-V155 PolarHBondContact O-N 3.3Å; C153-I158 HydrophobicContact CB-CD1 3.93Å
154H74.9Confident82.3Confident132 Ų13264 Ų6461%0.61133%0.331SS*.  trans-74.8121.9178.4-68.473.8000108.8Q156 T157 I158H154-Q156 PolarHBondContact O-N 3.38Å; H154-T157 WeakPolarHBondContact O-CB 3.32Å; H154-T157 PolarHBondContact O-N 2.98Å; H154-I158 PolarHBondContact O-N 2.74Å
155V82.5Confident82.5Confident46 Ų4664.2 Ų64.228%0.27933%0.332SS..Hα-helixtrans-54.7-39.3179.6177.70000111.8R149 C153 T157 I158 Q159R149-V155 HydrophobicContact CB-CG2 4.4Å; R149-V155 HydrophobicContact CG-CG1 4.48Å; R149-V155 HydrophobicContact CG-CG2 4.37Å; C153-V155 PolarHBondContact O-N 3.3Å; V155-T157 VanDerWaalsContact C-N 3.29Å; V155-T157 PolarHBondContact O-N 2.98Å; V155-I158 PolarHBondContact O-N 3.46Å; V155-Q159 HydrophobicContact CG1-CG 4.42Å; V155-Q159 PolarHBondContact O-N 3.1Å
156Q84.8Confident82.6Confident151 Ų15164.5 Ų64.571%0.70633%0.333SS*.Hα-helixtrans-59.7-38.6177.6-67.7177.7-23.400112.4H154 L160H154-Q156 PolarHBondContact O-N 3.38Å; Q156-L160 WeakPolarHBondContact O-CB 3.04Å; Q156-L160 PolarHBondContact O-N 3.35Å
157T86.1Confident82.9Confident34 Ų3463.3 Ų63.321%0.20933%0.325CS..Hα-helixtrans-68.6-41.9177.5-53.10000110.9H154 V155 L160 C161 T224H154-T157 WeakPolarHBondContact O-CB 3.32Å; H154-T157 PolarHBondContact O-N 2.98Å; V155-T157 VanDerWaalsContact C-N 3.29Å; V155-T157 PolarHBondContact O-N 2.98Å; T157-L160 PolarHBondContact O-N 2.73Å; T157-C161 WeakPolarHBondContact O-CB 3.23Å; T157-C161 PolarHBondContact O-N 3.37Å; T157-C161 PolarHBondContact O-SG 3.09Å; T157-T224 HydrophobicContact CG2-CG2 3.71Å
158I87.3Confident83.4Confident4 Ų462.6 Ų62.62%0.02132%0.322CS..Hα-helixtrans-61.9-46.6177.5-63.3170.6000110.7F147 C153 H154 V155 L160 C161 R162F147-I158 HydrophobicContact CB-CD1 4.47Å; C153-I158 HydrophobicContact CB-CD1 3.93Å; H154-I158 PolarHBondContact O-N 2.74Å; V155-I158 PolarHBondContact O-N 3.46Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.27Å; I158-C161 PolarHBondContact O-N 3.3Å; I158-R162 WeakPolarHBondContact O-CG 3.45Å; I158-R162 PolarHBondContact O-N 3.28Å
159Q87.5Confident84.1Confident95 Ų9560.6 Ų60.644%0.44430%0.303SS..Hα-helixtrans-62.2-41.6177.2-73.7176.8-35.100112V155 R162 R163V155-Q159 HydrophobicContact CG1-CG 4.42Å; V155-Q159 PolarHBondContact O-N 3.1Å; Q159-R162 PolarHBondContact O-N 3.24Å; Q159-R163 WeakPolarHBondContact O-CB 3.12Å; Q159-R163 PolarHBondContact O-N 3.48Å
160L89.4Confident84.8Confident73 Ų7352.2 Ų52.238%0.38227%0.272SS..Hα-helixtrans-64.2-43.8176.1-175.763.2000111.6Q156 T157 I158 R163 L164 T228Q156-L160 WeakPolarHBondContact O-CB 3.04Å; Q156-L160 PolarHBondContact O-N 3.35Å; T157-L160 PolarHBondContact O-N 2.73Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.27Å; L160-R163 PolarHBondContact O-N 3.12Å; L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CD1-CG 4.2Å; L160-L164 HydrophobicContact CG-CD1 3.89Å; L160-L164 HydrophobicContact CG-CG 4.37Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.18Å; L160-L164 PolarHBondContact O-N 2.7Å; L160-T228 HydrophobicContact CD2-CG2 4.18Å; L160-T228 HydrophobicContact CG-CG2 4.33Å
161C91.3Very high85.7Confident0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-58.6-50.1174.6-71.40000111.3C141 F144 T157 I158 R163 L164 T165 T224 T228C141-C161 HydrophobicContact CB-CB 4.48Å; F144-C161 HydrophobicContact CB-CB 4.26Å; T157-C161 WeakPolarHBondContact O-CB 3.23Å; T157-C161 PolarHBondContact O-N 3.37Å; T157-C161 PolarHBondContact O-SG 3.09Å; I158-C161 PolarHBondContact O-N 3.3Å; C161-R163 VanDerWaalsContact C-N 3.31Å; C161-R163 PolarHBondContact O-N 2.89Å; C161-L164 PolarHBondContact O-N 2.97Å; C161-T165 WeakPolarHBondContact O-CB 3.32Å; C161-T165 WeakPolarHBondContact O-CG2 3.36Å; C161-T165 PolarHBondContact O-N 3.28Å; C161-T165 PolarHBondContact O-OG1 2.89Å; C161-T224 WeakPolarHBondContact SG-CG2 3.33Å; C161-T228 VanDerWaalsContact SG-CG2 3.52Å
162R88.4Confident86.9Confident122 Ų12246.1 Ų46.146%0.4621%0.214SC..Hα-helixtrans-54-47176.7-77.4176.3-178.3-168.3-2.4112.3S145 I158 Q159 T165 V166S145-R162 PolarHBondContact O-NE 2.84Å; S145-R162 PolarHBondContact O-NH2 3.41Å; I158-R162 WeakPolarHBondContact O-CG 3.45Å; I158-R162 PolarHBondContact O-N 3.28Å; Q159-R162 PolarHBondContact O-N 3.24Å; R162-T165 WeakPolarHBondContact CA-OG1 3.32Å; R162-T165 PolarHBondContact O-OG1 3.4Å; R162-V166 VanDerWaalsContact O-CG2 3.28Å; R162-V166 WeakPolarHBondContact O-CG2 3.49Å; R162-V166 PolarHBondContact O-N 3.14Å; R162-V166 VanDerWaalsContact O-N 3.15Å
163R89.6Confident88Confident106 Ų10641 Ų4140%0.419%0.193SC..Hα-helixtrans-60.8-55.3177.5178.2179.5159.1-172.5-10.4110.8Q159 L160 C161 T165 V166 E167 P247Q159-R163 WeakPolarHBondContact O-CB 3.12Å; Q159-R163 PolarHBondContact O-N 3.48Å; L160-R163 PolarHBondContact O-N 3.12Å; C161-R163 VanDerWaalsContact C-N 3.31Å; C161-R163 PolarHBondContact O-N 2.89Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.07Å; R163-V166 PolarHBondContact O-N 3.02Å; R163-V166 VanDerWaalsContact O-N 3.15Å; R163-E167 HydrophobicContact CG-CG 4.39Å; R163-E167 WeakPolarHBondContact CG-OE1 3.48Å; R163-E167 IonicContact CZ-OE1 2.75Å; R163-E167 IonicContact NE-OE1 2.88Å; R163-E167 PolarHBondContact NE-OE1 2.93Å; R163-E167 IonicContact NH2-OE1 3.46Å; R163-E167 PolarHBondContact NH2-OE1 3.02Å; R163-E167 VanDerWaalsContact NH2-OE1 3.16Å; R163-E167 VanDerWaalsContact O-CG 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.33Å; R163-E167 PolarHBondContact O-N 3.36Å; R163-P247 VanDerWaalsContact NH2-CB 3.33Å; R163-P247 VanDerWaalsContact NH2-CG 3.29Å
164L92.2Very high88.8Confident5 Ų542.5 Ų42.53%0.02621%0.206CC..Hα-helixtrans-63.7-33.2-176-65.7170.3000113L160 C161 E167 W168 T228 L231 N235L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CD1-CG 4.2Å; L160-L164 HydrophobicContact CG-CD1 3.89Å; L160-L164 HydrophobicContact CG-CG 4.37Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.18Å; L160-L164 PolarHBondContact O-N 2.7Å; C161-L164 PolarHBondContact O-N 2.97Å; L164-E167 WeakPolarHBondContact CD2-OE2 3.49Å; L164-E167 PolarHBondContact O-N 2.75Å; L164-W168 PolarHBondContact O-N 2.98Å; L164-T228 HydrophobicContact CD1-CG2 3.99Å; L164-T228 WeakPolarHBondContact CD1-O 3.46Å; L164-L231 HydrophobicContact CB-CD2 3.57Å; L164-L231 HydrophobicContact CB-CG 4.2Å; L164-L231 HydrophobicContact CD1-CB 4.44Å; L164-L231 HydrophobicContact CD1-CD2 4.39Å; L164-N235 PolarHBondContact O-ND2 3.45Å
165T92Very high89.5Confident6 Ų637.5 Ų37.54%0.03719%0.185CC..Hα-helixtrans-68.4-3817550.70000112.2C141 F142 C161 R162 R163 W168 M169C141-T165 HydrophobicContact CB-CG2 3.75Å; F142-T165 HydrophobicContact CD1-CG2 3.78Å; F142-T165 HydrophobicContact CD2-CG2 4.12Å; F142-T165 HydrophobicContact CE1-CG2 3.85Å; F142-T165 HydrophobicContact CE2-CG2 4.16Å; F142-T165 HydrophobicContact CG-CG2 3.9Å; F142-T165 HydrophobicContact CZ-CG2 4.03Å; C161-T165 WeakPolarHBondContact O-CB 3.32Å; C161-T165 WeakPolarHBondContact O-CG2 3.36Å; C161-T165 PolarHBondContact O-N 3.28Å; C161-T165 PolarHBondContact O-OG1 2.89Å; R162-T165 WeakPolarHBondContact CA-OG1 3.32Å; R162-T165 PolarHBondContact O-OG1 3.4Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.07Å; T165-W168 WeakPolarHBondContact O-CB 3.19Å; T165-W168 PolarHBondContact O-N 3.38Å; T165-M169 WeakPolarHBondContact O-CG 3.41Å; T165-M169 PolarHBondContact O-N 3.1Å
166V90.6Very high89.8Confident26 Ų2638.9 Ų38.916%0.15819%0.185CC..Hα-helixtrans-69.3-39.3175.2168.90000110.8R162 R163 W168 M169 N170 L277R162-V166 VanDerWaalsContact O-CG2 3.28Å; R162-V166 WeakPolarHBondContact O-CG2 3.49Å; R162-V166 PolarHBondContact O-N 3.14Å; R162-V166 VanDerWaalsContact O-N 3.15Å; R163-V166 PolarHBondContact O-N 3.02Å; R163-V166 VanDerWaalsContact O-N 3.15Å; V166-W168 VanDerWaalsContact C-N 3.33Å; V166-W168 PolarHBondContact O-N 2.83Å; V166-M169 PolarHBondContact O-N 3.26Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.28Å; V166-N170 WeakPolarHBondContact O-CB 3.4Å; V166-N170 PolarHBondContact O-N 2.82Å; V166-N170 PolarHBondContact O-ND2 3.36Å; V166-L277 HydrophobicContact CG1-CB 4.02Å; V166-L277 WeakPolarHBondContact CG1-O 3.27Å
167E90.9Very high90Very high4 Ų432 Ų322%0.01915%0.154CC..Hα-helixtrans-59.6-44172-64.9177.8177.500110.9R163 L164 N170 Y171 N235 Y239 Y246 P248R163-E167 HydrophobicContact CG-CG 4.39Å; R163-E167 WeakPolarHBondContact CG-OE1 3.48Å; R163-E167 IonicContact CZ-OE1 2.75Å; R163-E167 IonicContact NE-OE1 2.88Å; R163-E167 PolarHBondContact NE-OE1 2.93Å; R163-E167 IonicContact NH2-OE1 3.46Å; R163-E167 PolarHBondContact NH2-OE1 3.02Å; R163-E167 VanDerWaalsContact NH2-OE1 3.16Å; R163-E167 VanDerWaalsContact O-CG 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.33Å; R163-E167 PolarHBondContact O-N 3.36Å; L164-E167 WeakPolarHBondContact CD2-OE2 3.49Å; L164-E167 PolarHBondContact O-N 2.75Å; E167-N170 PolarHBondContact O-N 3.43Å; E167-Y171 PolarHBondContact O-N 3.5Å; E167-N235 WeakPolarHBondContact CB-ND2 3.18Å; E167-N235 PolarHBondContact OE2-ND2 2.76Å; E167-Y239 HydrophobicContact CB-CE2 4.41Å; E167-Y239 PolarHBondContact O-OH 3.14Å; E167-Y246 WeakPolarHBondContact OE2-CE2 3.3Å; E167-Y246 PolarHBondContact OE2-OH 3.12Å; E167-P248 HydrophobicContact CB-CG 4.46Å; E167-P248 HydrophobicContact CG-CG 3.68Å
168W93.7Very high90.3Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-60.8-48.5175.3176.7-99.3000112.4I134 L138 L164 T165 V166 N170 Y171 V172 V194 I199 W201 L231 V234 L238I134-W168 HydrophobicContact CD1-CE3 4.45Å; I134-W168 HydrophobicContact CD1-CH2 4.23Å; I134-W168 HydrophobicContact CD1-CZ3 3.84Å; L138-W168 HydrophobicContact CD1-CD2 4.29Å; L138-W168 HydrophobicContact CD1-CH2 4.31Å; L138-W168 HydrophobicContact CD1-CZ2 3.69Å; L138-W168 HydrophobicContact CD2-CB 4.32Å; L138-W168 HydrophobicContact CD2-CD2 3.71Å; L138-W168 HydrophobicContact CD2-CE3 4.29Å; L138-W168 HydrophobicContact CD2-CG 3.67Å; L164-W168 PolarHBondContact O-N 2.98Å; T165-W168 WeakPolarHBondContact O-CB 3.19Å; T165-W168 PolarHBondContact O-N 3.38Å; V166-W168 VanDerWaalsContact C-N 3.33Å; V166-W168 PolarHBondContact O-N 2.83Å; W168-N170 VanDerWaalsContact C-N 3.34Å; W168-N170 PolarHBondContact O-N 3.27Å; W168-Y171 WeakPolarHBondContact O-CB 3.43Å; W168-Y171 PolarHBondContact O-N 2.92Å; W168-V172 HydrophobicContact CD2-CG2 4.49Å; W168-V172 HydrophobicContact CZ2-CG2 4.23Å; W168-V172 WeakPolarHBondContact O-CG2 3.24Å; W168-V172 PolarHBondContact O-N 2.91Å; W168-V194 HydrophobicContact CH2-CG2 4.1Å; W168-V194 HydrophobicContact CZ2-CG2 4.47Å; W168-I199 HydrophobicContact CH2-CD1 3.83Å; W168-I199 HydrophobicContact CZ2-CD1 4.3Å; W168-I199 HydrophobicContact CZ2-CG2 4.17Å; W168-W201 HydrophobicContact CZ2-CH2 4.26Å; W168-W201 HydrophobicContact CZ2-CZ3 4.1Å; W168-W201 AromaticContact NE1-CE2 3.67Å; W168-W201 AromaticContact NE1-CH2 3.48Å; W168-W201 AromaticContact NE1-CZ2 3.33Å; W168-W201 VanDerWaalsContact NE1-CZ2 3.33Å; W168-W201 AromaticContact NE1-CZ3 3.95Å; W168-L231 HydrophobicContact CE3-CD1 4.33Å; W168-V234 HydrophobicContact CZ3-CG1 4.37Å; W168-L238 HydrophobicContact CE3-CD1 4.13Å; W168-L238 HydrophobicContact CH2-CD1 4.28Å; W168-L238 HydrophobicContact CZ3-CD1 3.45Å; W168-L238 VanDerWaalsContact CZ3-CD1 3.45Å
169M91.9Very high90.5Very high16 Ų1631.4 Ų31.48%0.07915%0.148CC..Hα-helixtrans-59.7-43.9178-76.2175.6153.900111.9F142 T165 V166 Y171 V172 I173 V203 L280 F346F142-M169 HydrophobicContact CE1-CE 3.47Å; F142-M169 VanDerWaalsContact CE1-CE 3.47Å; F142-M169 HydrophobicContact CE1-CG 4.46Å; F142-M169 HydrophobicContact CE1-SD 4Å; F142-M169 HydrophobicContact CZ-CE 3.77Å; F142-M169 HydrophobicContact CZ-CG 4.12Å; F142-M169 HydrophobicContact CZ-SD 4.25Å; T165-M169 WeakPolarHBondContact O-CG 3.41Å; T165-M169 PolarHBondContact O-N 3.1Å; V166-M169 PolarHBondContact O-N 3.26Å; M169-Y171 VanDerWaalsContact C-N 3.33Å; M169-Y171 PolarHBondContact O-N 2.98Å; M169-V172 PolarHBondContact O-N 3.42Å; M169-I173 WeakPolarHBondContact O-CG1 3.35Å; M169-I173 PolarHBondContact O-N 3.36Å; M169-V203 HydrophobicContact CE-CG2 4.46Å; M169-L280 HydrophobicContact CB-CD1 4.35Å; M169-L280 HydrophobicContact CB-CD2 4.2Å; M169-L280 HydrophobicContact SD-CD1 4.34Å; M169-F346 HydrophobicContact CB-CD2 3.9Å; M169-F346 HydrophobicContact CB-CE2 3.86Å; M169-F346 HydrophobicContact CG-CD2 4.04Å; M169-F346 HydrophobicContact CG-CE2 3.96Å; M169-F346 WeakPolarHBondContact O-CE2 3.38Å
170N90.3Very high90.7Very high7 Ų729.5 Ų29.54%0.03714%0.138CC..Hα-helixtrans-64.4-36.9177.1-79.9-60.6000112.6V166 E167 W168 I173 A174 L277 L280 L284V166-N170 WeakPolarHBondContact CG1-ND2 3.28Å; V166-N170 WeakPolarHBondContact O-CB 3.4Å; V166-N170 PolarHBondContact O-N 2.82Å; V166-N170 PolarHBondContact O-ND2 3.36Å; E167-N170 PolarHBondContact O-N 3.43Å; W168-N170 VanDerWaalsContact C-N 3.34Å; W168-N170 PolarHBondContact O-N 3.27Å; N170-I173 PolarHBondContact O-N 2.97Å; N170-A174 WeakPolarHBondContact O-CB 3.37Å; N170-A174 PolarHBondContact O-N 3.35Å; N170-L277 PolarHBondContact ND2-O 3.45Å; N170-L280 VanDerWaalsContact OD1-CD2 3.27Å; N170-L280 WeakPolarHBondContact OD1-CD2 3.47Å; N170-L284 HydrophobicContact CB-CD1 3.81Å; N170-L284 HydrophobicContact CB-CG 4.5Å
171Y92Very high90.8Very high11 Ų1126 Ų264%0.04312%0.12CC..Hα-helixtrans-61-45172.2170.5-95.8000111.9E167 W168 M169 I173 A174 S175 V194 L238 Y239 L242E167-Y171 PolarHBondContact O-N 3.5Å; W168-Y171 WeakPolarHBondContact O-CB 3.43Å; W168-Y171 PolarHBondContact O-N 2.92Å; M169-Y171 VanDerWaalsContact C-N 3.33Å; M169-Y171 PolarHBondContact O-N 2.98Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.1Å; Y171-A174 PolarHBondContact O-N 3.37Å; Y171-S175 WeakPolarHBondContact O-CB 3.49Å; Y171-S175 PolarHBondContact O-N 2.79Å; Y171-S175 PolarHBondContact O-OG 3.48Å; Y171-V194 HydrophobicContact CE1-CG1 4.02Å; Y171-V194 HydrophobicContact CE1-CG2 4.12Å; Y171-L238 HydrophobicContact CD1-CB 4.49Å; Y171-L238 HydrophobicContact CD1-CD1 3.91Å; Y171-L238 HydrophobicContact CD2-CB 3.72Å; Y171-L238 HydrophobicContact CE1-CB 4.31Å; Y171-L238 HydrophobicContact CE1-CD1 3.73Å; Y171-L238 HydrophobicContact CE1-CD2 4.26Å; Y171-L238 HydrophobicContact CE1-CG 4.31Å; Y171-L238 HydrophobicContact CE2-CB 3.49Å; Y171-L238 VanDerWaalsContact CE2-CB 3.49Å; Y171-L238 HydrophobicContact CE2-CD1 4.42Å; Y171-L238 HydrophobicContact CE2-CD2 4.32Å; Y171-L238 HydrophobicContact CE2-CG 4.26Å; Y171-L238 WeakPolarHBondContact CE2-O 3.1Å; Y171-L238 HydrophobicContact CG-CB 4.23Å; Y171-L238 HydrophobicContact CG-CD1 4.35Å; Y171-Y239 HydrophobicContact CD2-CD2 4.5Å; Y171-L242 HydrophobicContact CD2-CD1 3.48Å; Y171-L242 VanDerWaalsContact CD2-CD1 3.48Å; Y171-L242 HydrophobicContact CD2-CG 4.35Å; Y171-L242 HydrophobicContact CE2-CD1 3.22Å; Y171-L242 HydrophobicContact CE2-CG 3.72Å
172V92.1Very high90.9Very high0 Ų027.9 Ų27.90%013%0.128CC..Hα-helixtrans-66.1-35179.3178.10000111.4W168 M169 S175 R176 A177 L178 A192 W201 F346W168-V172 HydrophobicContact CD2-CG2 4.49Å; W168-V172 HydrophobicContact CZ2-CG2 4.23Å; W168-V172 WeakPolarHBondContact O-CG2 3.24Å; W168-V172 PolarHBondContact O-N 2.91Å; M169-V172 PolarHBondContact O-N 3.42Å; V172-S175 WeakPolarHBondContact CA-OG 3.27Å; V172-S175 PolarHBondContact O-OG 3.05Å; V172-R176 WeakPolarHBondContact O-CA 3.48Å; V172-R176 PolarHBondContact O-N 3.23Å; V172-A177 HydrophobicContact CG1-CB 4.47Å; V172-A177 PolarHBondContact O-N 2.77Å; V172-L178 HydrophobicContact CG1-CB 4.2Å; V172-A192 HydrophobicContact CG1-CB 4.21Å; V172-W201 HydrophobicContact CG2-CH2 4.19Å; V172-F346 HydrophobicContact CB-CE2 4Å; V172-F346 HydrophobicContact CB-CZ 4.02Å; V172-F346 HydrophobicContact CG1-CE2 4.12Å; V172-F346 HydrophobicContact CG1-CZ 3.75Å
173I90.3Very high91.1Very high15 Ų1524.5 Ų24.58%0.07712%0.119CC..Hα-helixtrans-64.7-49.5172.1-69.5164000110.7M169 N170 Y171 S175 R176 L280 F346 R349M169-I173 WeakPolarHBondContact O-CG1 3.35Å; M169-I173 PolarHBondContact O-N 3.36Å; N170-I173 PolarHBondContact O-N 2.97Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.1Å; I173-S175 PolarHBondContact O-N 2.86Å; I173-R176 PolarHBondContact O-N 3.35Å; I173-L280 HydrophobicContact CD1-CB 3.86Å; I173-L280 HydrophobicContact CD1-CD1 4.12Å; I173-L280 HydrophobicContact CD1-CD2 3.92Å; I173-L280 HydrophobicContact CD1-CG 4.18Å; I173-F346 HydrophobicContact CD1-CD2 3.89Å; I173-F346 HydrophobicContact CD1-CE2 4.48Å; I173-F346 HydrophobicContact CG1-CD2 3.84Å; I173-F346 HydrophobicContact CG1-CE2 4.07Å; I173-R349 HydrophobicContact CD1-CB 4.16Å; I173-R349 HydrophobicContact CG1-CB 4.16Å; I173-R349 HydrophobicContact CG2-CB 3.89Å
174A88.1Confident91.2Very high40 Ų4021 Ų2133%0.33111%0.111SC..Hα-helixtrans-65.6-37.3-177.400000112.9N170 Y171 L242 L244N170-A174 WeakPolarHBondContact O-CB 3.37Å; N170-A174 PolarHBondContact O-N 3.35Å; Y171-A174 PolarHBondContact O-N 3.37Å; A174-L242 HydrophobicContact CB-CD1 4.3Å; A174-L244 HydrophobicContact CB-CD1 4.02Å
175S88.3Confident91Very high26 Ų2628.9 Ų28.918%0.18215%0.151CC..Hα-helixtrans-80.6-14.6176.953.10000114.1Y171 V172 I173 A177Y171-S175 WeakPolarHBondContact O-CB 3.49Å; Y171-S175 PolarHBondContact O-N 2.79Å; Y171-S175 PolarHBondContact O-OG 3.48Å; V172-S175 WeakPolarHBondContact CA-OG 3.27Å; V172-S175 PolarHBondContact O-OG 3.05Å; I173-S175 PolarHBondContact O-N 2.86Å; S175-A177 VanDerWaalsContact C-N 3.26Å; S175-A177 PolarHBondContact O-N 3.3Å; S175-A177 WeakPolarHBondContact OG-CB 3.46Å
176R89.4Confident90.9Very high75 Ų7535.9 Ų35.928%0.28318%0.181SC..THydrogen-bonded Turntrans47.750.4-170-55.8-167.5-175.5176.35111.6V172 I173 K325 C350V172-R176 WeakPolarHBondContact O-CA 3.48Å; V172-R176 PolarHBondContact O-N 3.23Å; I173-R176 PolarHBondContact O-N 3.35Å; R176-K325 HydrophobicContact CB-CB 4.3Å; R176-K325 HydrophobicContact CB-CD 4.33Å; R176-K325 HydrophobicContact CB-CG 4.07Å; R176-K325 WeakPolarHBondContact CD-O 3.33Å; R176-K325 PolarHBondContact NH1-O 2.87Å; R176-K325 WeakPolarHBondContact O-CE 3.41Å; R176-K325 WeakPolarHBondContact O-CG 3.45Å; R176-C350 WeakPolarHBondContact CB-O 3.46Å; R176-C350 VanDerWaalsContact CG-O 3.29Å; R176-C350 WeakPolarHBondContact CG-O 2.84Å
177A89.7Confident90.9Very high6 Ų634.7 Ų34.75%0.0517%0.174CC..  trans-95.2-3.7-171.700000114.6V172 S175 A192 E193V172-A177 HydrophobicContact CG1-CB 4.47Å; V172-A177 PolarHBondContact O-N 2.77Å; S175-A177 VanDerWaalsContact C-N 3.26Å; S175-A177 PolarHBondContact O-N 3.3Å; S175-A177 WeakPolarHBondContact OG-CB 3.46Å; A177-A192 HydrophobicContact CB-CB 4.38Å; A177-A192 CarbonylContact O-C 3.57Å; A177-A192 VanDerWaalsContact O-CA 3.26Å; A177-A192 WeakPolarHBondContact O-CA 3.39Å; A177-A192 WeakPolarHBondContact O-CB 3.36Å; A177-E193 WeakPolarHBondContact CB-O 3.34Å; A177-E193 PolarHBondContact O-N 3.42Å
178L92.1Very high91.1Very high0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-70.5135.5-176.6-167.667.1000111.3V172 V181 Y190 F346 V347 C350 F351V172-L178 HydrophobicContact CG1-CB 4.2Å; L178-V181 HydrophobicContact CD1-CG2 4.4Å; L178-V181 HydrophobicContact CD2-CG2 3.79Å; L178-V181 HydrophobicContact CG-CG2 4.16Å; L178-Y190 HydrophobicContact CD1-CD1 4.06Å; L178-Y190 HydrophobicContact CD1-CG 4.48Å; L178-F346 HydrophobicContact CD1-CE1 4.18Å; L178-F346 HydrophobicContact CD1-CZ 4.49Å; L178-F346 HydrophobicContact CD2-CE1 4.1Å; L178-V347 HydrophobicContact CD2-CG2 4.16Å; L178-C350 HydrophobicContact CB-CB 4.02Å; L178-C350 HydrophobicContact CD2-CB 4.1Å; L178-F351 HydrophobicContact CB-CE2 4.44Å; L178-F351 HydrophobicContact CB-CZ 4.21Å; L178-F351 HydrophobicContact CD2-CE2 3.93Å; L178-F351 HydrophobicContact CD2-CZ 4.41Å; L178-F351 HydrophobicContact CG-CE2 4.4Å; L178-F351 HydrophobicContact CG-CZ 4.39Å
179R90Very high91.1Very high27 Ų2737.8 Ų37.810%0.10219%0.186CC..EExtended strand (participates in β ladder)trans-119-53-174.5-61.8-57.4-176.6-151.86.9113.8Q191 E193 Q324R179-Q191 PolarHBondContact N-O 2.9Å; R179-E193 HydrophobicContact CG-CB 3.99Å; R179-E193 IonicContact CZ-OE2 2.72Å; R179-E193 VanDerWaalsContact CZ-OE2 3.26Å; R179-E193 IonicContact NE-OE2 2.97Å; R179-E193 PolarHBondContact NE-OE2 2.81Å; R179-E193 IonicContact NH2-OE2 3.94Å; R179-E193 PolarHBondContact NH2-OE2 3.21Å; R179-Q324 PolarHBondContact O-NE2 3.34Å; R179-Q324 VanDerWaalsContact O-NE2 3.16Å
180K91.8Very high91.3Very high54 Ų5437.2 Ų37.224%0.23518%0.183CC..EExtended strand (participates in β ladder)trans-130.6145.9-177.3-55.2-174.4-176.3-175.40110.1Q191 P426 F427K180-Q191 HydrophobicContact CB-CB 3.99Å; K180-Q191 PolarHBondContact N-O 3.26Å; K180-Q191 PolarHBondContact O-N 3.42Å; K180-P426 HydrophobicContact CB-CB 4.27Å; K180-P426 HydrophobicContact CB-CG 3.94Å; K180-P426 HydrophobicContact CD-CB 3.97Å; K180-P426 HydrophobicContact CD-CG 4.28Å; K180-P426 WeakPolarHBondContact CD-O 3.35Å; K180-P426 WeakPolarHBondContact CE-O 3.41Å; K180-P426 HydrophobicContact CG-CB 4.3Å; K180-P426 HydrophobicContact CG-CG 4.48Å; K180-P426 PolarHBondContact NZ-O 3.15Å; K180-F427 HydrophobicContact CB-CE1 4.29Å; K180-F427 HydrophobicContact CB-CZ 4.02Å; K180-F427 HydrophobicContact CD-CD1 4.27Å; K180-F427 HydrophobicContact CD-CE1 4.17Å
181V92.8Very high91.5Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-136.2134.1176.2-172.40000109L178 I188 Y189 Y190 V347 Y400 V403 N404L178-V181 HydrophobicContact CD1-CG2 4.4Å; L178-V181 HydrophobicContact CD2-CG2 3.79Å; L178-V181 HydrophobicContact CG-CG2 4.16Å; V181-I188 HydrophobicContact CG1-CG2 3.99Å; V181-Y189 CarbonylContact C-O 3.58Å; V181-Y189 WeakPolarHBondContact CA-O 3.44Å; V181-Y190 HydrophobicContact CB-CD1 4.44Å; V181-Y190 HydrophobicContact CG1-CD1 3.84Å; V181-Y190 HydrophobicContact CG1-CE1 3.68Å; V181-Y190 HydrophobicContact CG2-CD1 3.98Å; V181-Y190 HydrophobicContact CG2-CE1 4.33Å; V181-V347 HydrophobicContact CG1-CG2 4.42Å; V181-V347 HydrophobicContact CG2-CG2 4.18Å; V181-Y400 HydrophobicContact CB-CD1 4.28Å; V181-Y400 HydrophobicContact CG1-CD1 3.59Å; V181-Y400 HydrophobicContact CG1-CE1 3.94Å; V181-V403 HydrophobicContact CG2-CG1 3.93Å; V181-N404 PolarHBondContact N-OD1 3.22Å; V181-N404 VanDerWaalsContact O-CG 3.26Å; V181-N404 PolarHBondContact O-ND2 2.98Å; V181-N404 PolarHBondContact O-OD1 3.41Å
182F92.9Very high91.5Very high40 Ų4037.3 Ų37.318%0.17518%0.184CC..EExtended strand (participates in β ladder)trans-140.8129.8178.4179.6-116.2000111.6I188 Y189 H423 P426 F427F182-I188 WeakPolarHBondContact O-CA 3.38Å; F182-Y189 AromaticContact CD1-CD2 3.98Å; F182-Y189 HydrophobicContact CD1-CD2 3.98Å; F182-Y189 PolarHBondContact N-O 3.12Å; F182-Y189 PolarHBondContact O-N 3.37Å; F182-H423 AromaticContact CD2-CD2 3.76Å; F182-H423 AromaticContact CD2-NE2 3.59Å; F182-H423 AromaticContact CE2-CD2 3.81Å; F182-P426 HydrophobicContact CB-CG 4.3Å; F182-F427 HydrophobicContact CB-CD2 3.99Å; F182-F427 HydrophobicContact CB-CE2 3.63Å; F182-F427 HydrophobicContact CG-CD2 4.48Å
183L91.9Very high91.5Very high50 Ų5040.5 Ų40.526%0.26220%0.199SC..EExtended strand (participates in β ladder)trans-93.6119.3176.2-72.581.5000109.1I188 Y400 H423L183-I188 HydrophobicContact CG-CG1 4.41Å; L183-Y400 HydrophobicContact CD1-CD1 3.54Å; L183-Y400 HydrophobicContact CD1-CD2 3.58Å; L183-Y400 HydrophobicContact CD1-CE1 3.75Å; L183-Y400 HydrophobicContact CD1-CE2 3.8Å; L183-Y400 HydrophobicContact CD1-CG 3.43Å; L183-Y400 VanDerWaalsContact CD1-CG 3.43Å; L183-Y400 HydrophobicContact CD2-CD2 4.3Å; L183-Y400 HydrophobicContact CD2-CE2 3.9Å; L183-Y400 HydrophobicContact CG-CE2 4.49Å; L183-H423 PolarHBondContact N-NE2 3.2Å
184S91.1Very high91.5Very high33 Ų3339.9 Ų39.923%0.23120%0.195CC..EExtended strand (participates in β ladder)trans-114.7169.4173.4-176.40000110.1K186 G187 Y205S184-K186 PolarHBondContact O-N 3.28Å; S184-G187 WeakPolarHBondContact CA-O 3.45Å; S184-G187 WeakPolarHBondContact CB-O 3.32Å; S184-G187 PolarHBondContact N-O 3Å; S184-G187 PolarHBondContact O-N 3.14Å; S184-G187 VanDerWaalsContact O-O 3.12Å; S184-Y205 WeakPolarHBondContact O-CE2 3.19Å; S184-Y205 PolarHBondContact O-OH 2.96Å
185I88.8Confident91.3Very high170 Ų17043.1 Ų43.187%0.87221%0.205SC*.THydrogen-bonded Turntrans-60.4-32.2170.7-59167.5000110.8
186K89.4Confident91.1Very high154 Ų15444.9 Ų44.967%0.6723%0.228SC*.THydrogen-bonded Turntrans-74-26.5-179.1-66.4178.8-178.4172.50113.5S184 L202S184-K186 PolarHBondContact O-N 3.28Å; K186-L202 HydrophobicContact CB-CD2 4.49Å
187G91.6Very high91.1Very high0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans149.4-165.3-169.100000111.3S184 V203S184-G187 WeakPolarHBondContact CA-O 3.45Å; S184-G187 WeakPolarHBondContact CB-O 3.32Å; S184-G187 PolarHBondContact N-O 3Å; S184-G187 PolarHBondContact O-N 3.14Å; S184-G187 VanDerWaalsContact O-O 3.12Å; G187-V203 CarbonylContact C-O 3.51Å; G187-V203 WeakPolarHBondContact CA-O 3.41Å
188I93.9Very high91.3Very high9 Ų947.9 Ų47.95%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-108.4121.4-174.4-50164.7000109V181 F182 L183 Y190 V203 Y205 S343V181-I188 HydrophobicContact CG1-CG2 3.99Å; F182-I188 WeakPolarHBondContact O-CA 3.38Å; L183-I188 HydrophobicContact CG-CG1 4.41Å; I188-Y190 HydrophobicContact CB-CE2 3.98Å; I188-Y190 HydrophobicContact CG2-CD1 4.38Å; I188-Y190 HydrophobicContact CG2-CD2 4.33Å; I188-Y190 HydrophobicContact CG2-CE1 3.75Å; I188-Y190 HydrophobicContact CG2-CE2 3.71Å; I188-V203 PolarHBondContact N-O 3.37Å; I188-V203 PolarHBondContact O-N 3.37Å; I188-Y205 HydrophobicContact CD1-CD1 4.29Å; I188-Y205 HydrophobicContact CD1-CE1 3.89Å; I188-Y205 HydrophobicContact CG1-CD1 4.29Å; I188-Y205 HydrophobicContact CG1-CE1 3.6Å; I188-S343 WeakPolarHBondContact CD1-OG 3.24Å
189Y95.1Very high91.4Very high61 Ų6147.9 Ų47.924%0.23925%0.246CC..EExtended strand (participates in β ladder)trans-89127.3174-66.8-93.1000109.3V181 F182 W201 L202V181-Y189 CarbonylContact C-O 3.58Å; V181-Y189 WeakPolarHBondContact CA-O 3.44Å; F182-Y189 AromaticContact CD1-CD2 3.98Å; F182-Y189 HydrophobicContact CD1-CD2 3.98Å; F182-Y189 PolarHBondContact N-O 3.12Å; F182-Y189 PolarHBondContact O-N 3.37Å; Y189-W201 WeakPolarHBondContact CA-O 3.43Å; Y189-L202 HydrophobicContact CD1-CB 4.33Å; Y189-L202 HydrophobicContact CD1-CD1 4.15Å; Y189-L202 HydrophobicContact CD2-CD1 3.92Å; Y189-L202 HydrophobicContact CE1-CB 4.18Å; Y189-L202 HydrophobicContact CE1-CD1 3.98Å; Y189-L202 HydrophobicContact CE1-CG 4.46Å; Y189-L202 HydrophobicContact CE2-CD1 3.74Å; Y189-L202 HydrophobicContact CG-CD1 4.13Å
190Y95.1Very high91.5Very high3 Ų348.7 Ų48.71%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-116.2139.1171.8-61.1-74.5000109.1L178 V181 I188 T200 W201 V203 S343 F346 V347L178-Y190 HydrophobicContact CD1-CD1 4.06Å; L178-Y190 HydrophobicContact CD1-CG 4.48Å; V181-Y190 HydrophobicContact CB-CD1 4.44Å; V181-Y190 HydrophobicContact CG1-CD1 3.84Å; V181-Y190 HydrophobicContact CG1-CE1 3.68Å; V181-Y190 HydrophobicContact CG2-CD1 3.98Å; V181-Y190 HydrophobicContact CG2-CE1 4.33Å; I188-Y190 HydrophobicContact CB-CE2 3.98Å; I188-Y190 HydrophobicContact CG2-CD1 4.38Å; I188-Y190 HydrophobicContact CG2-CD2 4.33Å; I188-Y190 HydrophobicContact CG2-CE1 3.75Å; I188-Y190 HydrophobicContact CG2-CE2 3.71Å; Y190-T200 WeakPolarHBondContact O-CA 3.46Å; Y190-W201 AromaticContact CD2-NE1 3.75Å; Y190-W201 HydrophobicContact CG-CZ2 4.35Å; Y190-W201 PolarHBondContact N-O 3.28Å; Y190-W201 PolarHBondContact O-N 2.95Å; Y190-V203 HydrophobicContact CD2-CB 4.38Å; Y190-V203 HydrophobicContact CD2-CG2 3.71Å; Y190-V203 HydrophobicContact CE2-CB 3.92Å; Y190-V203 HydrophobicContact CE2-CG2 3.59Å; Y190-S343 WeakPolarHBondContact OH-CB 3.38Å; Y190-S343 PolarHBondContact OH-OG 2.89Å; Y190-F346 HydrophobicContact CD1-CD1 4.21Å; Y190-F346 AromaticContact CD1-CE1 3.82Å; Y190-F346 HydrophobicContact CD1-CE1 3.82Å; Y190-F346 AromaticContact CE1-CD1 3.8Å; Y190-F346 HydrophobicContact CE1-CD1 3.8Å; Y190-F346 AromaticContact CE1-CE1 3.9Å; Y190-F346 HydrophobicContact CE1-CE1 3.9Å; Y190-F346 HydrophobicContact CG-CE1 4.16Å; Y190-V347 HydrophobicContact CE1-CG2 3.92Å
191Q94.4Very high91.7Very high21 Ų2146.2 Ų46.210%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-119.6125.1168.7-169.9177.251.900109.6R179 K180 I199 T200 F427R179-Q191 PolarHBondContact N-O 2.9Å; K180-Q191 HydrophobicContact CB-CB 3.99Å; K180-Q191 PolarHBondContact N-O 3.26Å; K180-Q191 PolarHBondContact O-N 3.42Å; Q191-I199 VanDerWaalsContact CA-O 3.3Å; Q191-I199 WeakPolarHBondContact CA-O 3.43Å; Q191-T200 PolarHBondContact NE2-OG1 3.41Å; Q191-F427 HydrophobicContact CB-CE1 3.86Å; Q191-F427 HydrophobicContact CB-CZ 4.01Å; Q191-F427 HydrophobicContact CG-CE1 4.38Å
192A93.8Very high91.8Very high0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-125.3150.2173.500000111.3V172 A177 I199 W201V172-A192 HydrophobicContact CG1-CB 4.21Å; A177-A192 HydrophobicContact CB-CB 4.38Å; A177-A192 CarbonylContact O-C 3.57Å; A177-A192 VanDerWaalsContact O-CA 3.26Å; A177-A192 WeakPolarHBondContact O-CA 3.39Å; A177-A192 WeakPolarHBondContact O-CB 3.36Å; A192-I199 PolarHBondContact N-O 3.3Å; A192-I199 PolarHBondContact O-N 3.16Å; A192-W201 HydrophobicContact CB-CH2 3.58Å; A192-W201 HydrophobicContact CB-CZ3 3.64Å
193E91.6Very high91.8Very high67 Ų6747.3 Ų47.331%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-102.8108.8177.3-172.5-171171.300109.6A177 R179 Q197 L198A177-E193 WeakPolarHBondContact CB-O 3.34Å; A177-E193 PolarHBondContact O-N 3.42Å; R179-E193 HydrophobicContact CG-CB 3.99Å; R179-E193 IonicContact CZ-OE2 2.72Å; R179-E193 VanDerWaalsContact CZ-OE2 3.26Å; R179-E193 IonicContact NE-OE2 2.97Å; R179-E193 PolarHBondContact NE-OE2 2.81Å; R179-E193 IonicContact NH2-OE2 3.94Å; R179-E193 PolarHBondContact NH2-OE2 3.21Å; E193-Q197 WeakPolarHBondContact CA-O 3.37Å; E193-L198 HydrophobicContact CB-CD2 3.93Å; E193-L198 HydrophobicContact CG-CD2 4.03Å
194V89.5Confident91.8Very high1 Ų145.7 Ų45.71%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-118.6116.7-178-178.10000108.9L131 W168 Y171 G196 Q197 I199 L238L131-V194 HydrophobicContact CD1-CG1 4.33Å; L131-V194 HydrophobicContact CD2-CG1 4.25Å; W168-V194 HydrophobicContact CH2-CG2 4.1Å; W168-V194 HydrophobicContact CZ2-CG2 4.47Å; Y171-V194 HydrophobicContact CE1-CG1 4.02Å; Y171-V194 HydrophobicContact CE1-CG2 4.12Å; V194-G196 PolarHBondContact O-N 3.1Å; V194-Q197 PolarHBondContact N-O 2.81Å; V194-Q197 PolarHBondContact O-N 3.1Å; V194-I199 HydrophobicContact CB-CD1 3.82Å; V194-I199 HydrophobicContact CG2-CD1 3.92Å; V194-L238 HydrophobicContact CG1-CD1 4.32Å; V194-L238 HydrophobicContact CG1-CD2 3.66Å
195M85.1Confident91.7Very high108 Ų10846.8 Ų46.853%0.53224%0.244SC..THydrogen-bonded Turntrans5040.5-178.7-57.5-170.776.300113.6F127 L131 Q197F127-M195 HydrophobicContact CD1-SD 3.81Å; F127-M195 HydrophobicContact CE1-SD 3.47Å; F127-M195 WeakPolarHBondContact CE1-SD 3.43Å; L131-M195 HydrophobicContact CD1-CB 4.2Å; L131-M195 HydrophobicContact CD1-SD 4.49Å; M195-Q197 VanDerWaalsContact C-N 3.3Å; M195-Q197 PolarHBondContact O-N 3.32Å
196G84.1Confident91.4Very high64 Ų6444.8 Ų44.866%0.6623%0.231SC*.THydrogen-bonded Turntrans792.7-18000000115.3V194V194-G196 PolarHBondContact O-N 3.1Å
197Q89.6Confident91Very high53 Ų5344.3 Ų44.325%0.24823%0.229CC..EExtended strand (participates in β ladder)trans-102.1128.6172.2-174.462.946.800110R132 E193 V194 M195 I199R132-Q197 HydrophobicContact CG-CG 4.19Å; E193-Q197 WeakPolarHBondContact CA-O 3.37Å; V194-Q197 PolarHBondContact N-O 2.81Å; V194-Q197 PolarHBondContact O-N 3.1Å; M195-Q197 VanDerWaalsContact C-N 3.3Å; M195-Q197 PolarHBondContact O-N 3.32Å; Q197-I199 HydrophobicContact CG-CG1 4.34Å
198L92Very high90.1Very high90 Ų9050.2 Ų50.247%0.47127%0.27SS..EExtended strand (participates in β ladder)trans-79.9123.6170.1-61.7175000109E193E193-L198 HydrophobicContact CB-CD2 3.93Å; E193-L198 HydrophobicContact CG-CD2 4.03Å
199I94.3Very high89Confident1 Ų153.4 Ų53.41%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-117.8122.6-177.4-65.2172000106.8L131 I134 D135 L138 W168 Q191 A192 V194 Q197 W201L131-I199 HydrophobicContact CD2-CD1 4.14Å; I134-I199 HydrophobicContact CG2-CD1 3.79Å; I134-I199 HydrophobicContact CG2-CG1 4.11Å; I134-I199 HydrophobicContact CG2-CG2 3.72Å; D135-I199 WeakPolarHBondContact OD1-CA 3.33Å; D135-I199 WeakPolarHBondContact OD1-CG2 3.37Å; L138-I199 HydrophobicContact CD1-CG2 3.75Å; W168-I199 HydrophobicContact CH2-CD1 3.83Å; W168-I199 HydrophobicContact CZ2-CD1 4.3Å; W168-I199 HydrophobicContact CZ2-CG2 4.17Å; Q191-I199 VanDerWaalsContact CA-O 3.3Å; Q191-I199 WeakPolarHBondContact CA-O 3.43Å; A192-I199 PolarHBondContact N-O 3.3Å; A192-I199 PolarHBondContact O-N 3.16Å; V194-I199 HydrophobicContact CB-CD1 3.82Å; V194-I199 HydrophobicContact CG2-CD1 3.92Å; Q197-I199 HydrophobicContact CG-CG1 4.34Å; I199-W201 HydrophobicContact CB-CE3 4.47Å; I199-W201 HydrophobicContact CB-CZ3 4.37Å; I199-W201 HydrophobicContact CG2-CE3 3.65Å; I199-W201 HydrophobicContact CG2-CZ3 3.9Å; I199-W201 WeakPolarHBondContact O-CZ3 3.28Å
200T93.6Very high88Confident44 Ų4458.1 Ų58.127%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-118.9122.2179.8-48.50000109.8D135 Y190 Q191 F427D135-T200 WeakPolarHBondContact CB-O 3.41Å; D135-T200 VanDerWaalsContact CG-O 3.23Å; D135-T200 PolarHBondContact OD1-N 3.15Å; D135-T200 PolarHBondContact OD2-N 3.11Å; Y190-T200 WeakPolarHBondContact O-CA 3.46Å; Q191-T200 PolarHBondContact NE2-OG1 3.41Å; T200-F427 HydrophobicContact CG2-CE1 3.92Å; T200-F427 HydrophobicContact CG2-CZ 4.1Å
201W95.5Very high87Confident1 Ų160.2 Ų60.20%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-133.8152.9179.669.594.8000112.2L138 F142 W168 V172 Y189 Y190 A192 I199 F346L138-W201 HydrophobicContact CB-CB 3.8Å; L138-W201 HydrophobicContact CB-CG 4.11Å; L138-W201 HydrophobicContact CD1-CB 4.17Å; L138-W201 HydrophobicContact CD1-CD2 4Å; L138-W201 HydrophobicContact CD1-CE3 4Å; L138-W201 HydrophobicContact CD1-CG 4.1Å; F142-W201 AromaticContact CD2-CD1 3.77Å; F142-W201 AromaticContact CE2-CD1 3.51Å; F142-W201 HydrophobicContact CE2-CG 4.48Å; F142-W201 AromaticContact CE2-NE1 3.53Å; W168-W201 HydrophobicContact CZ2-CH2 4.26Å; W168-W201 HydrophobicContact CZ2-CZ3 4.1Å; W168-W201 AromaticContact NE1-CE2 3.67Å; W168-W201 AromaticContact NE1-CH2 3.48Å; W168-W201 AromaticContact NE1-CZ2 3.33Å; W168-W201 VanDerWaalsContact NE1-CZ2 3.33Å; W168-W201 AromaticContact NE1-CZ3 3.95Å; V172-W201 HydrophobicContact CG2-CH2 4.19Å; Y189-W201 WeakPolarHBondContact CA-O 3.43Å; Y190-W201 AromaticContact CD2-NE1 3.75Å; Y190-W201 HydrophobicContact CG-CZ2 4.35Å; Y190-W201 PolarHBondContact N-O 3.28Å; Y190-W201 PolarHBondContact O-N 2.95Å; A192-W201 HydrophobicContact CB-CH2 3.58Å; A192-W201 HydrophobicContact CB-CZ3 3.64Å; I199-W201 HydrophobicContact CB-CE3 4.47Å; I199-W201 HydrophobicContact CB-CZ3 4.37Å; I199-W201 HydrophobicContact CG2-CE3 3.65Å; I199-W201 HydrophobicContact CG2-CZ3 3.9Å; I199-W201 WeakPolarHBondContact O-CZ3 3.28Å; W201-F346 HydrophobicContact CZ2-CZ 4.38Å
202L93.9Very high86.5Confident44 Ų4462.4 Ų62.423%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-102.1128.9178.2177.764.6000110C139 K186 Y189C139-L202 PolarHBondContact SG-N 2.84Å; K186-L202 HydrophobicContact CB-CD2 4.49Å; Y189-L202 HydrophobicContact CD1-CB 4.33Å; Y189-L202 HydrophobicContact CD1-CD1 4.15Å; Y189-L202 HydrophobicContact CD2-CD1 3.92Å; Y189-L202 HydrophobicContact CE1-CB 4.18Å; Y189-L202 HydrophobicContact CE1-CD1 3.98Å; Y189-L202 HydrophobicContact CE1-CG 4.46Å; Y189-L202 HydrophobicContact CE2-CD1 3.74Å; Y189-L202 HydrophobicContact CG-CD1 4.13Å
203V93.4Very high85.7Confident19 Ų1967.9 Ų67.912%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-107.1118.2169.6-178.80000108.6F142 M169 G187 I188 Y190F142-V203 HydrophobicContact CD1-CG1 4.03Å; F142-V203 HydrophobicContact CD1-CG2 3.86Å; F142-V203 HydrophobicContact CD2-CG2 3.98Å; F142-V203 HydrophobicContact CE1-CG2 3.98Å; F142-V203 HydrophobicContact CE2-CG2 4.12Å; F142-V203 HydrophobicContact CG-CG2 3.88Å; F142-V203 HydrophobicContact CZ-CG2 4.12Å; M169-V203 HydrophobicContact CE-CG2 4.46Å; G187-V203 CarbonylContact C-O 3.51Å; G187-V203 WeakPolarHBondContact CA-O 3.41Å; I188-V203 PolarHBondContact N-O 3.37Å; I188-V203 PolarHBondContact O-N 3.37Å; Y190-V203 HydrophobicContact CD2-CB 4.38Å; Y190-V203 HydrophobicContact CD2-CG2 3.71Å; Y190-V203 HydrophobicContact CE2-CB 3.92Å; Y190-V203 HydrophobicContact CE2-CG2 3.59Å
204P92Very high85.4Confident17 Ų1772 Ų7211%0.1140%0.398CS..  trans-68.3149.8176.128.5-32.5000110.7T146T146-P204 HydrophobicContact CG2-CG 3.87Å
205Y89.5Confident85.3Confident56 Ų5675 Ų7522%0.2242%0.416CS..  trans-61.5148170.6-64-65.5000110.8S184 I188 F207 H209S184-Y205 WeakPolarHBondContact O-CE2 3.19Å; S184-Y205 PolarHBondContact O-OH 2.96Å; I188-Y205 HydrophobicContact CD1-CD1 4.29Å; I188-Y205 HydrophobicContact CD1-CE1 3.89Å; I188-Y205 HydrophobicContact CG1-CD1 4.29Å; I188-Y205 HydrophobicContact CG1-CE1 3.6Å; Y205-F207 VanDerWaalsContact CB-CE2 3.41Å; Y205-F207 HydrophobicContact CD2-CE2 4.07Å; Y205-F207 HydrophobicContact CG-CD2 4.45Å; Y205-F207 AromaticContact CG-CE2 3.89Å; Y205-F207 HydrophobicContact CG-CE2 3.89Å; Y205-F207 HydrophobicContact CG-CZ 4.41Å; Y205-F207 PolarHBondContact O-N 2.87Å; Y205-H209 PolarHBondContact O-CE1 2.8Å
206Q81.8Confident85.4Confident128 Ų12873.3 Ų73.360%0.59841%0.409SS*.SBendtrans-77.155-179.2-63.1-162.1-35.800112.9E342Q206-E342 VanDerWaalsContact CD-CD 3.41Å; Q206-E342 PolarHBondContact NE2-OE1 2.99Å; Q206-E342 PolarHBondContact NE2-OE2 3.13Å; Q206-E342 PolarHBondContact OE1-OE1 3.16Å
207F80.9Confident85.5Confident144 Ų14471.1 Ų71.163%0.63238%0.381SS*.  trans-94.5155.9173.7-58.8-42.7000111Y205 H209Y205-F207 VanDerWaalsContact CB-CE2 3.41Å; Y205-F207 HydrophobicContact CD2-CE2 4.07Å; Y205-F207 HydrophobicContact CG-CD2 4.45Å; Y205-F207 AromaticContact CG-CE2 3.89Å; Y205-F207 HydrophobicContact CG-CE2 3.89Å; Y205-F207 HydrophobicContact CG-CZ 4.41Å; Y205-F207 PolarHBondContact O-N 2.87Å; F207-H209 PolarHBondContact O-CE1 3.43Å; F207-H209 PolarHBondContact O-N 3.46Å; F207-H209 VanDerWaalsContact O-N 3.14Å; F207-H209 PolarHBondContact O-ND1 2.95Å
208S72.4Confident85.3Confident124 Ų12477.9 Ų77.987%0.86740%0.404SS*.  trans-68.6112.5169.954.40000108.7
209H72.5Confident85.2Confident76 Ų7675.8 Ų75.835%0.35240%0.395SS..  trans-89.6130.5178.4-6577.9000110.6Y205 F207 H211Y205-H209 PolarHBondContact O-CE1 2.8Å; F207-H209 PolarHBondContact O-CE1 3.43Å; F207-H209 PolarHBondContact O-N 3.46Å; F207-H209 VanDerWaalsContact O-N 3.14Å; F207-H209 PolarHBondContact O-ND1 2.95Å; H209-H211 PolarHBondContact O-ND1 3.24Å
210D73.1Confident84.9Confident159 Ų15977.4 Ų77.485%0.8540%0.403SS*.  trans-68.5138.4164.9-80.8-24.9000109.7P212D210-P212 WeakPolarHBondContact O-CD 3.21Å
211H74.8Confident84.7Confident48 Ų4876.5 Ų76.522%0.22240%0.4CS..  trans-92.797.1-177.1-67.766.7000109.7H209 T213 Y217H209-H211 PolarHBondContact O-ND1 3.24Å; H211-T213 PolarHBondContact O-N 2.93Å; H211-Y217 VanDerWaalsContact CA-OH 3.31Å; H211-Y217 WeakPolarHBondContact CA-OH 3.2Å; H211-Y217 WeakPolarHBondContact CB-OH 3.31Å
212P82.4Confident84.5Confident67 Ų6777.1 Ų77.144%0.43540%0.404SS..  trans-60.5137.9-179.125.4-35.6000110.9D210 D214 V215D210-P212 WeakPolarHBondContact O-CD 3.21Å; P212-D214 PolarHBondContact O-N 3.39Å; P212-V215 HydrophobicContact CB-CG2 4.45Å; P212-V215 HydrophobicContact CG-CB 4.48Å; P212-V215 HydrophobicContact CG-CG2 3.8Å
213T78.3Confident84.4Confident115 Ų11577.6 Ų77.671%0.70640%0.404SS*.THydrogen-bonded Turntrans-73.3-17.3-179.845.90000113.7H211 V215H211-T213 PolarHBondContact O-N 2.93Å; T213-V215 VanDerWaalsContact C-N 3.29Å; T213-V215 PolarHBondContact O-N 2.65Å
214D85.8Confident84.3Confident154 Ų15476.7 Ų76.782%0.82440%0.399SS*.THydrogen-bonded Turntrans-77.5-17.4-174.5-61.3-22.4000112.8P212P212-D214 PolarHBondContact O-N 3.39Å
215V86.4Confident84.3Confident62 Ų6278.1 Ų78.138%0.37640%0.404SS..SBendtrans-89.2129.1-177.8-177.80000111.2P212 T213 Y217 M220P212-V215 HydrophobicContact CB-CG2 4.45Å; P212-V215 HydrophobicContact CG-CB 4.48Å; P212-V215 HydrophobicContact CG-CG2 3.8Å; T213-V215 VanDerWaalsContact C-N 3.29Å; T213-V215 PolarHBondContact O-N 2.65Å; V215-Y217 HydrophobicContact CB-CE2 4.44Å; V215-Y217 WeakPolarHBondContact O-CD2 3.38Å; V215-Y217 PolarHBondContact O-N 2.87Å; V215-Y217 VanDerWaalsContact O-N 3.12Å; V215-M220 HydrophobicContact CG1-CG 4.45Å; V215-M220 HydrophobicContact CG1-SD 3.37Å; V215-M220 WeakPolarHBondContact CG1-SD 3.02Å
216D86.8Confident84.5Confident74 Ų7475.7 Ų75.740%0.39640%0.395SS..  trans-83.186.1176.5-167.7-10.4000111.4R35 R218 V219 M220R35-D216 IonicContact NH1-OD2 3.59Å; D216-R218 PolarHBondContact O-N 3.04Å; D216-R218 WeakPolarHBondContact OD1-CB 3Å; D216-R218 PolarHBondContact OD1-N 3.1Å; D216-R218 VanDerWaalsContact OD1-N 3.12Å; D216-V219 HydrophobicContact CB-CB 4.42Å; D216-V219 HydrophobicContact CB-CG2 4.25Å; D216-V219 WeakPolarHBondContact O-CB 3.48Å; D216-V219 PolarHBondContact O-N 3.12Å; D216-M220 PolarHBondContact O-N 3.21Å
217Y85.8Confident85.1Confident18 Ų1870.7 Ų70.77%0.07137%0.37CS..Hα-helixtrans-56.2-21.7176.5-68-82.8000114.3F147 K152 H211 V215 A221F147-Y217 HydrophobicContact CE2-CE1 4.11Å; F147-Y217 HydrophobicContact CZ-CE1 4.26Å; K152-Y217 HydrophobicContact CD-CD2 4.26Å; H211-Y217 VanDerWaalsContact CA-OH 3.31Å; H211-Y217 WeakPolarHBondContact CA-OH 3.2Å; H211-Y217 WeakPolarHBondContact CB-OH 3.31Å; V215-Y217 HydrophobicContact CB-CE2 4.44Å; V215-Y217 WeakPolarHBondContact O-CD2 3.38Å; V215-Y217 PolarHBondContact O-N 2.87Å; V215-Y217 VanDerWaalsContact O-N 3.12Å; Y217-A221 WeakPolarHBondContact O-CB 3.34Å; Y217-A221 PolarHBondContact O-N 2.8Å
218R86.1Confident85.7Confident195 Ų19564.2 Ų64.274%0.73634%0.343SS*.Hα-helixtrans-71.4-37.1177.4-62.8179.2174.4179.20.1111.3D216 T222D216-R218 PolarHBondContact O-N 3.04Å; D216-R218 WeakPolarHBondContact OD1-CB 3Å; D216-R218 PolarHBondContact OD1-N 3.1Å; D216-R218 VanDerWaalsContact OD1-N 3.12Å; R218-T222 WeakPolarHBondContact O-CG2 3.2Å; R218-T222 PolarHBondContact O-N 3.47Å
219V89.6Confident86.6Confident46 Ų4660 Ų6028%0.27931%0.312SS..Hα-helixtrans-67.6-48.7174.5170.40000109.1I39 D216 A221 T222 F223I39-V219 HydrophobicContact CD1-CB 4.49Å; I39-V219 HydrophobicContact CD1-CG1 3.81Å; D216-V219 HydrophobicContact CB-CB 4.42Å; D216-V219 HydrophobicContact CB-CG2 4.25Å; D216-V219 WeakPolarHBondContact O-CB 3.48Å; D216-V219 PolarHBondContact O-N 3.12Å; V219-A221 VanDerWaalsContact C-N 3.33Å; V219-A221 PolarHBondContact O-N 3Å; V219-T222 PolarHBondContact O-N 3.24Å; V219-T222 VanDerWaalsContact O-N 3.09Å; V219-T222 PolarHBondContact O-OG1 2.86Å; V219-F223 HydrophobicContact CG1-CD2 4.02Å; V219-F223 HydrophobicContact CG1-CE2 3.78Å; V219-F223 WeakPolarHBondContact O-CD2 3.44Å; V219-F223 PolarHBondContact O-N 3.47Å
220M88.4Confident87.7Confident35 Ų3556.6 Ų56.617%0.17230%0.296CS..Hα-helixtrans-58.2-44.9177.4-64.2-178.776.400111.9M140 L143 F144 V215 D216 T222 F223 T224M140-M220 HydrophobicContact CE-CB 4.13Å; M140-M220 HydrophobicContact CE-CE 3.8Å; M140-M220 HydrophobicContact CE-CG 4.39Å; M140-M220 HydrophobicContact SD-CE 4.08Å; L143-M220 HydrophobicContact CD2-CE 3.96Å; F144-M220 HydrophobicContact CE2-CB 4.01Å; F144-M220 HydrophobicContact CE2-CE 4Å; F144-M220 HydrophobicContact CZ-CB 3.72Å; V215-M220 HydrophobicContact CG1-CG 4.45Å; V215-M220 HydrophobicContact CG1-SD 3.37Å; V215-M220 WeakPolarHBondContact CG1-SD 3.02Å; D216-M220 PolarHBondContact O-N 3.21Å; M220-T222 PolarHBondContact O-N 3.47Å; M220-F223 WeakPolarHBondContact O-CA 3.29Å; M220-F223 WeakPolarHBondContact O-CB 3.35Å; M220-F223 PolarHBondContact O-N 3.34Å; M220-T224 PolarHBondContact O-N 2.86Å; M220-T224 PolarHBondContact O-OG1 3.4Å
221A89.2Confident88.6Confident24 Ų2449 Ų4920%0.19826%0.256CS..Hα-helixtrans-58.8-33.117800000113Y217 V219 E225Y217-A221 WeakPolarHBondContact O-CB 3.34Å; Y217-A221 PolarHBondContact O-N 2.8Å; V219-A221 VanDerWaalsContact C-N 3.33Å; V219-A221 PolarHBondContact O-N 3Å; A221-E225 WeakPolarHBondContact O-CB 3.3Å; A221-E225 PolarHBondContact O-N 2.75Å
222T91Very high89.5Confident15 Ų1547.5 Ų47.59%0.09225%0.253CS..Hα-helixtrans-73.2-31.3175.4550000113.3R36 I39 R218 V219 M220 L226R36-T222 HydrophobicContact CB-CG2 4.03Å; R36-T222 HydrophobicContact CG-CG2 3.56Å; I39-T222 WeakPolarHBondContact CD1-OG1 3.44Å; R218-T222 WeakPolarHBondContact O-CG2 3.2Å; R218-T222 PolarHBondContact O-N 3.47Å; V219-T222 PolarHBondContact O-N 3.24Å; V219-T222 VanDerWaalsContact O-N 3.09Å; V219-T222 PolarHBondContact O-OG1 2.86Å; M220-T222 PolarHBondContact O-N 3.47Å; T222-L226 PolarHBondContact O-N 2.97Å
223F92.4Very high90Very high54 Ų5447.9 Ų47.924%0.23725%0.248CC..Hα-helixtrans-68-48.6169.7-81.8-78.2000110.7I39 M140 V219 M220 E225 L226 Y227I39-F223 HydrophobicContact CB-CE2 4.48Å; I39-F223 HydrophobicContact CB-CZ 4.4Å; I39-F223 HydrophobicContact CD1-CD2 4.33Å; I39-F223 HydrophobicContact CD1-CE2 3.91Å; I39-F223 HydrophobicContact CG1-CE2 3.88Å; I39-F223 HydrophobicContact CG1-CZ 3.99Å; I39-F223 HydrophobicContact CG2-CD1 3.72Å; I39-F223 HydrophobicContact CG2-CD2 3.83Å; I39-F223 HydrophobicContact CG2-CE1 3.68Å; I39-F223 HydrophobicContact CG2-CE2 3.78Å; I39-F223 HydrophobicContact CG2-CG 3.79Å; I39-F223 HydrophobicContact CG2-CZ 3.71Å; M140-F223 HydrophobicContact CE-CB 4.41Å; V219-F223 HydrophobicContact CG1-CD2 4.02Å; V219-F223 HydrophobicContact CG1-CE2 3.78Å; V219-F223 WeakPolarHBondContact O-CD2 3.44Å; V219-F223 PolarHBondContact O-N 3.47Å; M220-F223 WeakPolarHBondContact O-CA 3.29Å; M220-F223 WeakPolarHBondContact O-CB 3.35Å; M220-F223 PolarHBondContact O-N 3.34Å; F223-E225 VanDerWaalsContact C-N 3.25Å; F223-E225 PolarHBondContact O-N 3.18Å; F223-L226 WeakPolarHBondContact O-CB 3.26Å; F223-L226 PolarHBondContact O-N 3.41Å; F223-Y227 HydrophobicContact CB-CD2 4.12Å; F223-Y227 HydrophobicContact CB-CE2 3.82Å; F223-Y227 HydrophobicContact CD1-CE2 4.03Å; F223-Y227 HydrophobicContact CG-CE2 4.36Å; F223-Y227 VanDerWaalsContact O-CD2 3.23Å; F223-Y227 WeakPolarHBondContact O-CD2 3.48Å; F223-Y227 PolarHBondContact O-N 2.85Å
224T91.7Very high90.7Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-58.7-37.1177.6-48.20000112F144 T157 C161 M220 L226 Y227 T228F144-T224 HydrophobicContact CB-CG2 4.31Å; F144-T224 HydrophobicContact CD1-CG2 4.12Å; F144-T224 HydrophobicContact CD2-CG2 4.17Å; F144-T224 WeakPolarHBondContact CD2-OG1 3.45Å; F144-T224 WeakPolarHBondContact CE2-OG1 3.25Å; F144-T224 HydrophobicContact CG-CG2 3.94Å; F144-T224 VanDerWaalsContact CZ-OG1 3.26Å; F144-T224 WeakPolarHBondContact CZ-OG1 3.43Å; T157-T224 HydrophobicContact CG2-CG2 3.71Å; C161-T224 WeakPolarHBondContact SG-CG2 3.33Å; M220-T224 PolarHBondContact O-N 2.86Å; M220-T224 PolarHBondContact O-OG1 3.4Å; T224-L226 PolarHBondContact O-N 3.22Å; T224-Y227 PolarHBondContact O-N 3.14Å; T224-T228 HydrophobicContact CG2-CG2 4.12Å; T224-T228 WeakPolarHBondContact O-CB 3.44Å; T224-T228 WeakPolarHBondContact O-CG2 3.43Å; T224-T228 PolarHBondContact O-N 3.35Å; T224-T228 PolarHBondContact O-OG1 3.21Å
225E91.3Very high91.1Very high47 Ų4735.1 Ų35.122%0.2218%0.176CC..Hα-helixtrans-60.6-44.2173.9-169.5-174.5176.300112.2R36 Y114 L116 A221 F223 T228 T229R36-E225 IonicContact CZ-OE2 3.96Å; R36-E225 IonicContact NE-OE2 2.77Å; R36-E225 PolarHBondContact NE-OE2 2.72Å; R36-E225 IonicContact NH2-OE1 3.28Å; R36-E225 PolarHBondContact NH2-OE1 2.95Å; R36-E225 IonicContact NH2-OE2 2.7Å; R36-E225 PolarHBondContact NH2-OE2 3.45Å; Y114-E225 WeakPolarHBondContact CE2-OE1 3.21Å; Y114-E225 PolarHBondContact OH-OE1 2.64Å; Y114-E225 PolarHBondContact OH-OE2 3.35Å; L116-E225 HydrophobicContact CD1-CG 3.9Å; A221-E225 WeakPolarHBondContact O-CB 3.3Å; A221-E225 PolarHBondContact O-N 2.75Å; F223-E225 VanDerWaalsContact C-N 3.25Å; F223-E225 PolarHBondContact O-N 3.18Å; E225-T228 PolarHBondContact O-OG1 3.34Å; E225-T229 WeakPolarHBondContact O-CG2 3.28Å; E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.79Å
226L92.9Very high91.3Very high5 Ų537 Ų373%0.02618%0.179CC..Hα-helixtrans-65.9-46.9174.9-17867.1000111.2L40 L116 V120 T222 F223 T224 T228 T229 L230L40-L226 HydrophobicContact CD2-CB 4.22Å; L116-L226 HydrophobicContact CD1-CD1 4.43Å; V120-L226 HydrophobicContact CG2-CD1 4.13Å; T222-L226 PolarHBondContact O-N 2.97Å; F223-L226 WeakPolarHBondContact O-CB 3.26Å; F223-L226 PolarHBondContact O-N 3.41Å; T224-L226 PolarHBondContact O-N 3.22Å; L226-T228 PolarHBondContact O-N 3.18Å; L226-T229 PolarHBondContact O-N 3.27Å; L226-T229 PolarHBondContact O-OG1 3.05Å; L226-L230 PolarHBondContact O-N 3.24Å
227Y94.4Very high91.6Very high22 Ų2239.6 Ų39.69%0.08618%0.183CC..Hα-helixtrans-65.6-38.1-177.3-67.7-40.5000113.3A137 M140 F223 T224 T229 L230 L231A137-Y227 HydrophobicContact CB-CD1 3.44Å; A137-Y227 VanDerWaalsContact CB-CD1 3.44Å; A137-Y227 HydrophobicContact CB-CE1 4.12Å; A137-Y227 HydrophobicContact CB-CG 3.7Å; M140-Y227 HydrophobicContact CB-CD2 4Å; M140-Y227 HydrophobicContact CB-CE2 4.32Å; M140-Y227 HydrophobicContact CG-CD2 4.24Å; M140-Y227 HydrophobicContact CG-CE2 4.05Å; F223-Y227 HydrophobicContact CB-CD2 4.12Å; F223-Y227 HydrophobicContact CB-CE2 3.82Å; F223-Y227 HydrophobicContact CD1-CE2 4.03Å; F223-Y227 HydrophobicContact CG-CE2 4.36Å; F223-Y227 VanDerWaalsContact O-CD2 3.23Å; F223-Y227 WeakPolarHBondContact O-CD2 3.48Å; F223-Y227 PolarHBondContact O-N 2.85Å; T224-Y227 PolarHBondContact O-N 3.14Å; Y227-T229 VanDerWaalsContact C-N 3.32Å; Y227-T229 PolarHBondContact O-N 3.5Å; Y227-L230 HydrophobicContact CD1-CD2 4.49Å; Y227-L230 PolarHBondContact O-N 3.34Å; Y227-L231 VanDerWaalsContact O-CB 3.26Å; Y227-L231 WeakPolarHBondContact O-CB 3.46Å; Y227-L231 PolarHBondContact O-N 2.84Å
228T93.3Very high91.8Very high8 Ų838.8 Ų38.85%0.04918%0.18CC..Hα-helixtrans-63.4-37.817450.90000111.9L160 C161 L164 T224 E225 L226 G232L160-T228 HydrophobicContact CD2-CG2 4.18Å; L160-T228 HydrophobicContact CG-CG2 4.33Å; C161-T228 VanDerWaalsContact SG-CG2 3.52Å; L164-T228 HydrophobicContact CD1-CG2 3.99Å; L164-T228 WeakPolarHBondContact CD1-O 3.46Å; T224-T228 HydrophobicContact CG2-CG2 4.12Å; T224-T228 WeakPolarHBondContact O-CB 3.44Å; T224-T228 WeakPolarHBondContact O-CG2 3.43Å; T224-T228 PolarHBondContact O-N 3.35Å; T224-T228 PolarHBondContact O-OG1 3.21Å; E225-T228 PolarHBondContact O-OG1 3.34Å; L226-T228 PolarHBondContact O-N 3.18Å; T228-G232 PolarHBondContact O-N 2.85Å
229T93Very high92Very high37 Ų3729.5 Ų29.523%0.22715%0.145CC..Hα-helixtrans-68.8-40.417459.60000112.5L116 E225 L226 Y227 G232 F233L116-T229 HydrophobicContact CB-CG2 4.19Å; L116-T229 HydrophobicContact CD1-CG2 4.16Å; E225-T229 WeakPolarHBondContact O-CG2 3.28Å; E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.79Å; L226-T229 PolarHBondContact O-N 3.27Å; L226-T229 PolarHBondContact O-OG1 3.05Å; Y227-T229 VanDerWaalsContact C-N 3.32Å; Y227-T229 PolarHBondContact O-N 3.5Å; T229-G232 PolarHBondContact O-N 3.34Å; T229-F233 WeakPolarHBondContact O-CD2 3.49Å; T229-F233 PolarHBondContact O-N 3.36Å
230L94.1Very high92Very high4 Ų432.9 Ų32.92%0.02116%0.157CC..Hα-helixtrans-60.4-53.4174.5176.365.8000111.1V120 Y124 A130 A137 L226 Y227 G232 F233 V234V120-L230 HydrophobicContact CG1-CD1 3.8Å; Y124-L230 HydrophobicContact CD2-CD1 3.69Å; Y124-L230 HydrophobicContact CE2-CD1 3.76Å; Y124-L230 HydrophobicContact CE2-CD2 4Å; Y124-L230 HydrophobicContact CE2-CG 4.5Å; Y124-L230 HydrophobicContact CG-CD1 4.5Å; A130-L230 HydrophobicContact CB-CD1 4.06Å; A137-L230 HydrophobicContact CB-CD2 4.27Å; L226-L230 PolarHBondContact O-N 3.24Å; Y227-L230 HydrophobicContact CD1-CD2 4.49Å; Y227-L230 PolarHBondContact O-N 3.34Å; L230-G232 VanDerWaalsContact C-N 3.27Å; L230-G232 PolarHBondContact O-N 2.94Å; L230-F233 PolarHBondContact O-N 2.96Å; L230-F233 VanDerWaalsContact O-N 3.1Å; L230-V234 HydrophobicContact CD1-CG2 4.35Å; L230-V234 WeakPolarHBondContact O-CG2 3.18Å; L230-V234 PolarHBondContact O-N 2.98Å
231L93.6Very high92Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-60.7-36.9-179.1-169.465.9000111.4I134 L138 C141 L164 W168 Y227 V234 N235I134-L231 HydrophobicContact CD1-CD1 3.89Å; I134-L231 HydrophobicContact CG1-CD1 4.29Å; L138-L231 HydrophobicContact CD2-CD1 3.64Å; L138-L231 HydrophobicContact CD2-CD2 4.4Å; L138-L231 HydrophobicContact CG-CD1 4.49Å; C141-L231 HydrophobicContact CB-CD2 4.28Å; L164-L231 HydrophobicContact CB-CD2 3.57Å; L164-L231 HydrophobicContact CB-CG 4.2Å; L164-L231 HydrophobicContact CD1-CB 4.44Å; L164-L231 HydrophobicContact CD1-CD2 4.39Å; W168-L231 HydrophobicContact CE3-CD1 4.33Å; Y227-L231 VanDerWaalsContact O-CB 3.26Å; Y227-L231 WeakPolarHBondContact O-CB 3.46Å; Y227-L231 PolarHBondContact O-N 2.84Å; L231-V234 PolarHBondContact O-N 2.96Å; L231-N235 WeakPolarHBondContact O-CB 3.31Å; L231-N235 VanDerWaalsContact O-CG 3.25Å; L231-N235 PolarHBondContact O-N 2.81Å
232G92.9Very high91.8Very high16 Ų1635.7 Ų35.717%0.16518%0.175CC..Hα-helixtrans-63-41.2173.600000113.8T228 T229 L230 F236 Y246T228-G232 PolarHBondContact O-N 2.85Å; T229-G232 PolarHBondContact O-N 3.34Å; L230-G232 VanDerWaalsContact C-N 3.27Å; L230-G232 PolarHBondContact O-N 2.94Å; G232-F236 WeakPolarHBondContact O-CB 3.38Å; G232-F236 PolarHBondContact O-N 2.86Å; G232-F236 VanDerWaalsContact O-N 3.09Å; G232-Y246 PolarHBondContact O-OH 3.47Å
233F92.9Very high91.6Very high74 Ų7437.7 Ų37.733%0.32519%0.185SC..Hα-helixtrans-68.1-38.3173.6-78.9-65000112.1D117 V120 T229 L230 R237D117-F233 HydrophobicContact CB-CE2 4.16Å; D117-F233 HydrophobicContact CB-CZ 3.81Å; V120-F233 HydrophobicContact CB-CD2 4.41Å; V120-F233 HydrophobicContact CG1-CD2 4.06Å; T229-F233 WeakPolarHBondContact O-CD2 3.49Å; T229-F233 PolarHBondContact O-N 3.36Å; L230-F233 PolarHBondContact O-N 2.96Å; L230-F233 VanDerWaalsContact O-N 3.1Å; F233-R237 PolarHBondContact O-N 3.44Å
234V93.4Very high91.3Very high2 Ų235.4 Ų35.41%0.01218%0.175CC..Hα-helixtrans-65.5-54.6178.2173.90000110.6F127 A130 L131 I134 W168 L230 L231 F236 R237 L238F127-V234 HydrophobicContact CE2-CB 4.35Å; F127-V234 HydrophobicContact CE2-CG1 4.15Å; F127-V234 HydrophobicContact CE2-CG2 4.17Å; F127-V234 HydrophobicContact CZ-CG1 4.08Å; A130-V234 HydrophobicContact CB-CG2 4.28Å; L131-V234 HydrophobicContact CD2-CG1 3.9Å; I134-V234 HydrophobicContact CD1-CB 4.06Å; I134-V234 HydrophobicContact CD1-CG1 3.63Å; I134-V234 HydrophobicContact CD1-CG2 4.12Å; W168-V234 HydrophobicContact CZ3-CG1 4.37Å; L230-V234 HydrophobicContact CD1-CG2 4.35Å; L230-V234 WeakPolarHBondContact O-CG2 3.18Å; L230-V234 PolarHBondContact O-N 2.98Å; L231-V234 PolarHBondContact O-N 2.96Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.42Å; V234-R237 PolarHBondContact O-N 2.95Å; V234-R237 VanDerWaalsContact O-N 3.08Å; V234-L238 HydrophobicContact CG1-CD1 3.52Å; V234-L238 HydrophobicContact CG1-CG 3.87Å; V234-L238 WeakPolarHBondContact O-CB 3.48Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.37Å; V234-L238 PolarHBondContact O-N 3.41Å
235N93.1Very high91.1Very high0 Ų037.5 Ų37.50%019%0.188CC..Hα-helixtrans-53.9-46.4177-72.4-3.3000110.9L164 E167 L231 R237 L238 Y239 Y246L164-N235 PolarHBondContact O-ND2 3.45Å; E167-N235 WeakPolarHBondContact CB-ND2 3.18Å; E167-N235 PolarHBondContact OE2-ND2 2.76Å; L231-N235 WeakPolarHBondContact O-CB 3.31Å; L231-N235 VanDerWaalsContact O-CG 3.25Å; L231-N235 PolarHBondContact O-N 2.81Å; N235-R237 VanDerWaalsContact C-N 3.34Å; N235-R237 PolarHBondContact O-N 2.75Å; N235-L238 PolarHBondContact O-N 2.88Å; N235-Y239 HydrophobicContact CB-CD2 4.45Å; N235-Y239 WeakPolarHBondContact O-CB 3.46Å; N235-Y239 WeakPolarHBondContact O-CD2 3.46Å; N235-Y239 PolarHBondContact O-N 3.3Å; N235-Y246 HydrophobicContact CB-CE2 3.89Å
236F92.4Very high90.8Very high102 Ų10238.1 Ų38.145%0.44719%0.189SC..Hα-helixtrans-53.9-48.3177.2174-107.4000112.7G232 V234 Q240 Y246G232-F236 WeakPolarHBondContact O-CB 3.38Å; G232-F236 PolarHBondContact O-N 2.86Å; G232-F236 VanDerWaalsContact O-N 3.09Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.42Å; F236-Q240 WeakPolarHBondContact O-CB 3.22Å; F236-Q240 PolarHBondContact O-N 2.91Å; F236-Q240 VanDerWaalsContact O-N 3.08Å; F236-Y246 HydrophobicContact CB-CD1 4.15Å; F236-Y246 HydrophobicContact CB-CE1 4.01Å; F236-Y246 AromaticContact CD2-CD1 3.54Å; F236-Y246 HydrophobicContact CD2-CD1 3.54Å; F236-Y246 HydrophobicContact CD2-CE1 4.12Å; F236-Y246 HydrophobicContact CD2-CG 4.02Å; F236-Y246 HydrophobicContact CE2-CD1 4.47Å; F236-Y246 HydrophobicContact CG-CD1 4.33Å
237R91.2Very high90.4Very high128 Ų12841 Ų4148%0.48321%0.207SC..Hα-helixtrans-70.6-37.4179.6177.4160.8166.6166.91.7112.7F127 F233 V234 N235 Q240 S241F127-R237 HydrophobicContact CD2-CB 4.43Å; F127-R237 VanDerWaalsContact CD2-CD 3.41Å; F127-R237 HydrophobicContact CD2-CG 4.18Å; F127-R237 HydrophobicContact CE1-CG 4.22Å; F127-R237 HydrophobicContact CE2-CB 3.77Å; F127-R237 HydrophobicContact CE2-CG 3.8Å; F127-R237 VanDerWaalsContact CG-CZ 3.44Å; F127-R237 VanDerWaalsContact CG-NE 3.31Å; F127-R237 HydrophobicContact CZ-CB 4.02Å; F127-R237 HydrophobicContact CZ-CG 3.82Å; F233-R237 PolarHBondContact O-N 3.44Å; V234-R237 PolarHBondContact O-N 2.95Å; V234-R237 VanDerWaalsContact O-N 3.08Å; N235-R237 VanDerWaalsContact C-N 3.34Å; N235-R237 PolarHBondContact O-N 2.75Å; R237-Q240 PolarHBondContact O-N 3.41Å; R237-S241 PolarHBondContact O-N 3.35Å
238L91.1Very high89.7Confident0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-65.1-44.9177.5-72.3-175.9000111.7F127 W168 Y171 V194 V234 N235 Q240 S241 L242F127-L238 HydrophobicContact CE1-CD2 3.85Å; F127-L238 HydrophobicContact CZ-CD2 3.64Å; F127-L238 HydrophobicContact CZ-CG 3.94Å; W168-L238 HydrophobicContact CE3-CD1 4.13Å; W168-L238 HydrophobicContact CH2-CD1 4.28Å; W168-L238 HydrophobicContact CZ3-CD1 3.45Å; W168-L238 VanDerWaalsContact CZ3-CD1 3.45Å; Y171-L238 HydrophobicContact CD1-CB 4.49Å; Y171-L238 HydrophobicContact CD1-CD1 3.91Å; Y171-L238 HydrophobicContact CD2-CB 3.72Å; Y171-L238 HydrophobicContact CE1-CB 4.31Å; Y171-L238 HydrophobicContact CE1-CD1 3.73Å; Y171-L238 HydrophobicContact CE1-CD2 4.26Å; Y171-L238 HydrophobicContact CE1-CG 4.31Å; Y171-L238 HydrophobicContact CE2-CB 3.49Å; Y171-L238 VanDerWaalsContact CE2-CB 3.49Å; Y171-L238 HydrophobicContact CE2-CD1 4.42Å; Y171-L238 HydrophobicContact CE2-CD2 4.32Å; Y171-L238 HydrophobicContact CE2-CG 4.26Å; Y171-L238 WeakPolarHBondContact CE2-O 3.1Å; Y171-L238 HydrophobicContact CG-CB 4.23Å; Y171-L238 HydrophobicContact CG-CD1 4.35Å; V194-L238 HydrophobicContact CG1-CD1 4.32Å; V194-L238 HydrophobicContact CG1-CD2 3.66Å; V234-L238 HydrophobicContact CG1-CD1 3.52Å; V234-L238 HydrophobicContact CG1-CG 3.87Å; V234-L238 WeakPolarHBondContact O-CB 3.48Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.37Å; V234-L238 PolarHBondContact O-N 3.41Å; N235-L238 PolarHBondContact O-N 2.88Å; L238-Q240 VanDerWaalsContact C-N 3.35Å; L238-Q240 PolarHBondContact O-N 3.19Å; L238-S241 PolarHBondContact O-N 2.89Å; L238-S241 PolarHBondContact O-OG 3.24Å; L238-L242 PolarHBondContact O-N 3.33Å
239Y90.8Very high89.1Confident1 Ų145.7 Ų45.70%0.00423%0.228CC..Hα-helixtrans-62.7-42.3174.4-86.7-105000111.9E167 Y171 N235 S241 L242 N243 L244 Y246 P248 L284E167-Y239 HydrophobicContact CB-CE2 4.41Å; E167-Y239 PolarHBondContact O-OH 3.14Å; Y171-Y239 HydrophobicContact CD2-CD2 4.5Å; N235-Y239 HydrophobicContact CB-CD2 4.45Å; N235-Y239 WeakPolarHBondContact O-CB 3.46Å; N235-Y239 WeakPolarHBondContact O-CD2 3.46Å; N235-Y239 PolarHBondContact O-N 3.3Å; Y239-S241 VanDerWaalsContact C-N 3.27Å; Y239-S241 PolarHBondContact O-N 3.42Å; Y239-L242 CarbonylContact O-C 3.59Å; Y239-L242 PolarHBondContact O-N 2.95Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; Y239-N243 PolarHBondContact O-N 3.41Å; Y239-L244 HydrophobicContact CD1-CB 3.53Å; Y239-L244 HydrophobicContact CD1-CD1 4.01Å; Y239-L244 HydrophobicContact CD1-CG 4.43Å; Y239-L244 HydrophobicContact CE1-CB 4.24Å; Y239-L244 HydrophobicContact CE1-CD1 4.12Å; Y239-L244 HydrophobicContact CG-CB 4.31Å; Y239-L244 PolarHBondContact O-N 3.32Å; Y239-Y246 HydrophobicContact CD1-CD2 4.48Å; Y239-Y246 HydrophobicContact CD2-CD2 4.18Å; Y239-Y246 HydrophobicContact CG-CD2 4.03Å; Y239-P248 HydrophobicContact CE1-CB 3.77Å; Y239-P248 HydrophobicContact CE1-CG 4.24Å; Y239-L284 HydrophobicContact CE1-CD1 3.79Å
240Q89.4Confident88.2Confident116 Ų11644.3 Ų44.354%0.54222%0.219SC..Hα-helixtrans-60.9-36.7174.6-166.772.526.600111.9F236 R237 L238 L242 N243F236-Q240 WeakPolarHBondContact O-CB 3.22Å; F236-Q240 PolarHBondContact O-N 2.91Å; F236-Q240 VanDerWaalsContact O-N 3.08Å; R237-Q240 PolarHBondContact O-N 3.41Å; L238-Q240 VanDerWaalsContact C-N 3.35Å; L238-Q240 PolarHBondContact O-N 3.19Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 2.99Å; Q240-N243 PolarHBondContact O-N 3.28Å
241S88.1Confident87.1Confident64 Ų6446.6 Ų46.645%0.44823%0.232SC..Hα-helixtrans-68.8-23.3177.469.60000114.2R237 L238 Y239R237-S241 PolarHBondContact O-N 3.35Å; L238-S241 PolarHBondContact O-N 2.89Å; L238-S241 PolarHBondContact O-OG 3.24Å; Y239-S241 VanDerWaalsContact C-N 3.27Å; Y239-S241 PolarHBondContact O-N 3.42Å
242L84.6Confident85.6Confident54 Ų5450.5 Ų50.528%0.28326%0.259SS..THydrogen-bonded Turntrans-99.711.6175.3-66.1-178.4000112.9Y171 A174 L238 Y239 Q240 L244Y171-L242 HydrophobicContact CD2-CD1 3.48Å; Y171-L242 VanDerWaalsContact CD2-CD1 3.48Å; Y171-L242 HydrophobicContact CD2-CG 4.35Å; Y171-L242 HydrophobicContact CE2-CD1 3.22Å; Y171-L242 HydrophobicContact CE2-CG 3.72Å; A174-L242 HydrophobicContact CB-CD1 4.3Å; L238-L242 PolarHBondContact O-N 3.33Å; Y239-L242 CarbonylContact O-C 3.59Å; Y239-L242 PolarHBondContact O-N 2.95Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 2.99Å; L242-L244 HydrophobicContact CB-CD1 3.9Å; L242-L244 HydrophobicContact CB-CG 4.03Å; L242-L244 HydrophobicContact CD1-CD1 4.04Å; L242-L244 PolarHBondContact O-N 3.32Å; L242-L244 VanDerWaalsContact O-N 3.15Å
243N86.9Confident84Confident57 Ų5756.8 Ų56.831%0.30528%0.282SS..THydrogen-bonded Turntrans53.633.3-175.8-62.2-35.2000113.5Y239 Q240 V287 E293Y239-N243 PolarHBondContact O-N 3.41Å; Q240-N243 PolarHBondContact O-N 3.28Å; N243-V287 WeakPolarHBondContact O-CB 3.43Å; N243-V287 WeakPolarHBondContact O-CG2 3.42Å; N243-V287 PolarHBondContact O-N 3.45Å; N243-E293 PolarHBondContact ND2-OE1 2.97Å; N243-E293 VanDerWaalsContact ND2-OE1 3.16Å
244L86.4Confident82.3Confident6 Ų653.6 Ų53.63%0.03127%0.269CS..BIsolated β-bridgetrans-95.1146.9177-67.7168.6000111.1A174 Y239 L242 Y246 L284 A285 R286A174-L244 HydrophobicContact CB-CD1 4.02Å; Y239-L244 HydrophobicContact CD1-CB 3.53Å; Y239-L244 HydrophobicContact CD1-CD1 4.01Å; Y239-L244 HydrophobicContact CD1-CG 4.43Å; Y239-L244 HydrophobicContact CE1-CB 4.24Å; Y239-L244 HydrophobicContact CE1-CD1 4.12Å; Y239-L244 HydrophobicContact CG-CB 4.31Å; Y239-L244 PolarHBondContact O-N 3.32Å; L242-L244 HydrophobicContact CB-CD1 3.9Å; L242-L244 HydrophobicContact CB-CG 4.03Å; L242-L244 HydrophobicContact CD1-CD1 4.04Å; L242-L244 PolarHBondContact O-N 3.32Å; L242-L244 VanDerWaalsContact O-N 3.15Å; L244-Y246 PolarHBondContact O-N 2.89Å; L244-L284 HydrophobicContact CD1-CD1 4.25Å; L244-L284 HydrophobicContact CD2-CB 4.03Å; L244-A285 WeakPolarHBondContact CD2-O 3.44Å; L244-R286 HydrophobicContact CD2-CG 3.63Å
245V86.4Confident80.7Confident45 Ų4556.9 Ų56.927%0.27328%0.284SS..  trans-69.4132.2176.1179.90000109.5P247 P248 A285 V287V245-P247 CarbonylContact O-C 3.5Å; V245-P248 WeakPolarHBondContact O-CA 3.09Å; V245-A285 PolarHBondContact N-O 3.47Å; V245-V287 HydrophobicContact CB-CG2 4.42Å; V245-V287 HydrophobicContact CG2-CG2 3.61Å
246Y85.8Confident78.8Confident60 Ų6059.3 Ų59.324%0.23530%0.301CS..SBendtrans-119.2131.2173.2-172.9-92.3000111.6E167 G232 N235 F236 Y239 L244E167-Y246 WeakPolarHBondContact OE2-CE2 3.3Å; E167-Y246 PolarHBondContact OE2-OH 3.12Å; G232-Y246 PolarHBondContact O-OH 3.47Å; N235-Y246 HydrophobicContact CB-CE2 3.89Å; F236-Y246 HydrophobicContact CB-CD1 4.15Å; F236-Y246 HydrophobicContact CB-CE1 4.01Å; F236-Y246 AromaticContact CD2-CD1 3.54Å; F236-Y246 HydrophobicContact CD2-CD1 3.54Å; F236-Y246 HydrophobicContact CD2-CE1 4.12Å; F236-Y246 HydrophobicContact CD2-CG 4.02Å; F236-Y246 HydrophobicContact CE2-CD1 4.47Å; F236-Y246 HydrophobicContact CG-CD1 4.33Å; Y239-Y246 HydrophobicContact CD1-CD2 4.48Å; Y239-Y246 HydrophobicContact CD2-CD2 4.18Å; Y239-Y246 HydrophobicContact CG-CD2 4.03Å; L244-Y246 PolarHBondContact O-N 2.89Å
247P84.6Confident77.2Confident64 Ų6460.5 Ų60.542%0.41631%0.308SS..SBendcis-59151.9-5.8-2637.2000113.9R163 V245 K249R163-P247 VanDerWaalsContact NH2-CB 3.33Å; R163-P247 VanDerWaalsContact NH2-CG 3.29Å; V245-P247 CarbonylContact O-C 3.5Å; P247-K249 PolarHBondContact O-N 3.04Å
248P80.8Confident75.4Confident6 Ų655.3 Ų55.34%0.03929%0.29CS..  trans-59.7135.6-176.518.7-27.5000111.8E167 Y239 V245 L277 L284E167-P248 HydrophobicContact CB-CG 4.46Å; E167-P248 HydrophobicContact CG-CG 3.68Å; Y239-P248 HydrophobicContact CE1-CB 3.77Å; Y239-P248 HydrophobicContact CE1-CG 4.24Å; V245-P248 WeakPolarHBondContact O-CA 3.09Å; P248-L277 HydrophobicContact CB-CD2 4.45Å; P248-L277 HydrophobicContact CG-CD1 4.32Å; P248-L284 HydrophobicContact CB-CD1 4.49Å; P248-L284 HydrophobicContact CB-CD2 3.94Å
249K79.9Confident73.6Confident124 Ų12460.9 Ų60.954%0.53931%0.314SS..  trans-118.8147168.6-63.7-177.3-180-178.60108.2P247 A285P247-K249 PolarHBondContact O-N 3.04Å; K249-A285 HydrophobicContact CB-CB 4.35Å; K249-A285 WeakPolarHBondContact O-CB 3.29Å; K249-A285 PolarHBondContact O-N 3.15Å
250L73.4Confident71.6Confident7 Ų768.5 Ų68.54%0.03735%0.35CS..BIsolated β-bridgetrans-67151.5169.9-65.4174.5000109.4L258 K276 L277 L284L250-L258 HydrophobicContact CD1-CD1 3.95Å; L250-K276 HydrophobicContact CD1-CB 3.76Å; L250-L277 HydrophobicContact CD2-CD2 3.6Å; L250-L277 HydrophobicContact CD2-CG 4.43Å; L250-L277 HydrophobicContact CG-CD2 3.96Å; L250-L277 HydrophobicContact CG-CG 4.44Å; L250-L284 HydrophobicContact CD2-CD2 4.5Å
251D71.6Confident69.8Low53 Ų5367.9 Ų67.928%0.28335%0.354SS..  trans-61.8145.2173.1-174.116.3000110.6K253 A254 E255 S283D251-K253 PolarHBondContact O-N 3.16Å; D251-K253 VanDerWaalsContact O-N 3.17Å; D251-A254 HydrophobicContact CB-CB 4.46Å; D251-A254 CarbonylContact O-C 3.41Å; D251-A254 PolarHBondContact O-N 2.89Å; D251-E255 WeakPolarHBondContact O-CB 3.34Å; D251-E255 PolarHBondContact O-N 3.05Å; D251-S283 PolarHBondContact N-O 3.03Å
252S61.2Low68.1Low82 Ų8268.2 Ų68.257%0.57335%0.348SS*.Hα-helixtrans-51.9-37.3-177.854.50000113.8S256S252-S256 PolarHBondContact O-N 3.11Å; S252-S256 PolarHBondContact O-OG 2.83Å
253K59.8Low66.2Low147 Ų14774.7 Ų74.764%0.63938%0.377SS*.Hα-helixtrans-70.8-44.4175.3-68.8178.9179.1176.60112.7D251 E255 S256 E257D251-K253 PolarHBondContact O-N 3.16Å; D251-K253 VanDerWaalsContact O-N 3.17Å; K253-E255 VanDerWaalsContact C-N 3.28Å; K253-E255 PolarHBondContact O-N 3.08Å; K253-S256 WeakPolarHBondContact CA-OG 3.47Å; K253-S256 PolarHBondContact O-N 3.4Å; K253-S256 PolarHBondContact O-OG 3.27Å; K253-E257 WeakPolarHBondContact O-CG 3.5Å; K253-E257 PolarHBondContact O-N 3.4Å
254A58.3Low64.2Low8 Ų880.3 Ų80.37%0.06640%0.402CS..Hα-helixtrans-66.7-33.9175.100000111.4D251 L258D251-A254 HydrophobicContact CB-CB 4.46Å; D251-A254 CarbonylContact O-C 3.41Å; D251-A254 PolarHBondContact O-N 2.89Å; A254-L258 VanDerWaalsContact O-CB 3.29Å; A254-L258 WeakPolarHBondContact O-CB 3.35Å; A254-L258 WeakPolarHBondContact O-CD1 3.46Å; A254-L258 WeakPolarHBondContact O-CG 3.38Å; A254-L258 PolarHBondContact O-N 3.02Å; A254-L258 VanDerWaalsContact O-N 3.08Å
255E59.2Low62.2Low70 Ų7086.5 Ų86.533%0.32744%0.435SS..Hα-helixtrans-70.6-34.1176.7-157.1-171.4156.300111.9D251 K253 K259D251-E255 WeakPolarHBondContact O-CB 3.34Å; D251-E255 PolarHBondContact O-N 3.05Å; K253-E255 VanDerWaalsContact C-N 3.28Å; K253-E255 PolarHBondContact O-N 3.08Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 WeakPolarHBondContact O-CD 3.17Å; E255-K259 WeakPolarHBondContact O-CG 3.37Å; E255-K259 PolarHBondContact O-N 2.7Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 3.26Å; E255-K259 PolarHBondContact OE1-NZ 3.47Å
256S53.7Low60.2Low51 Ų5195.9 Ų95.936%0.35747%0.467SS..Hα-helixtrans-72.8-45173.454.10000112.5S252 K253 L258 K259 E260S252-S256 PolarHBondContact O-N 3.11Å; S252-S256 PolarHBondContact O-OG 2.83Å; K253-S256 WeakPolarHBondContact CA-OG 3.47Å; K253-S256 PolarHBondContact O-N 3.4Å; K253-S256 PolarHBondContact O-OG 3.27Å; S256-L258 VanDerWaalsContact C-N 3.27Å; S256-L258 PolarHBondContact O-N 3.3Å; S256-K259 WeakPolarHBondContact O-CB 3.31Å; S256-K259 PolarHBondContact O-N 2.86Å; S256-E260 PolarHBondContact O-N 2.97Å
257E57.2Low58.2Low127 Ų12795.6 Ų95.659%0.59348%0.477SS*.Hα-helixtrans-60-38.9177.1-73.4171.9-173.300111.6K253 K259 V261K253-E257 WeakPolarHBondContact O-CG 3.5Å; K253-E257 PolarHBondContact O-N 3.4Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 2.96Å; E257-V261 WeakPolarHBondContact O-CG2 3.31Å
258L54.6Low56.3Low20 Ų2099.9 Ų99.911%0.10549%0.494CS..Hα-helixtrans-77.9-10.6175.5-68.6170.1000114L250 A254 S256 K276L250-L258 HydrophobicContact CD1-CD1 3.95Å; A254-L258 VanDerWaalsContact O-CB 3.29Å; A254-L258 WeakPolarHBondContact O-CB 3.35Å; A254-L258 WeakPolarHBondContact O-CD1 3.46Å; A254-L258 WeakPolarHBondContact O-CG 3.38Å; A254-L258 PolarHBondContact O-N 3.02Å; A254-L258 VanDerWaalsContact O-N 3.08Å; S256-L258 VanDerWaalsContact C-N 3.27Å; S256-L258 PolarHBondContact O-N 3.3Å; L258-K276 HydrophobicContact CB-CD 4.22Å; L258-K276 HydrophobicContact CD1-CB 4.45Å; L258-K276 HydrophobicContact CD1-CD 4.15Å; L258-K276 HydrophobicContact CD1-CG 4.32Å; L258-K276 PolarHBondContact O-NZ 3.29Å
259K51.8Low54.8Low116 Ų116106.5 Ų106.550%0.50453%0.529SS..Hα-helixtrans-91.4-37.5173.7-82.8170.6-174.51650111.3E255 S256 E257 V261 E262E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 WeakPolarHBondContact O-CD 3.17Å; E255-K259 WeakPolarHBondContact O-CG 3.37Å; E255-K259 PolarHBondContact O-N 2.7Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 3.26Å; E255-K259 PolarHBondContact OE1-NZ 3.47Å; S256-K259 WeakPolarHBondContact O-CB 3.31Å; S256-K259 PolarHBondContact O-N 2.86Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 2.96Å; K259-V261 PolarHBondContact O-N 3.22Å; K259-E262 PolarHBondContact O-N 3.33Å
260E49.2Very low53.3Low161 Ų161105.1 Ų105.175%0.75254%0.535SS*.Hα-helixtrans-65.1-24.2-179.9-73.6-178.6178.600113.4S256S256-E260 PolarHBondContact O-N 2.97Å
261V51.9Low52.4Low104 Ų104110 Ų11063%0.6356%0.558SS**THydrogen-bonded Turntrans-85.5-12.2-179.3-178.80000113.2E257 K259E257-V261 WeakPolarHBondContact O-CG2 3.31Å; K259-V261 PolarHBondContact O-N 3.22Å
262E52.4Low51.9Low70 Ų70108.6 Ų108.633%0.32755%0.551SS.*  trans-13435.7-162.2-64.3-178.116500114.9K259 E264 K276 I363K259-E262 PolarHBondContact O-N 3.33Å; E262-E264 PolarHBondContact O-N 2.99Å; E262-E264 VanDerWaalsContact O-N 3.16Å; E262-K276 WeakPolarHBondContact OE2-CE 3.5Å; E262-K276 IonicContact OE2-NZ 2.74Å; E262-K276 PolarHBondContact OE2-NZ 3.08Å; E262-I363 VanDerWaalsContact OE1-CG2 3.3Å; E262-I363 WeakPolarHBondContact OE1-CG2 3.46Å
263E44Very low51.9Low191 Ų191107.4 Ų107.489%0.89354%0.537SS*.SBendtrans-67.5-5.5172-84.4-166.9160.600114.1
264E46.4Very low52.3Low175 Ų175103.6 Ų103.682%0.81853%0.526SS*.SBendtrans-130.592.9175.4-66.6-176.3165.100111.1E262E262-E264 PolarHBondContact O-N 2.99Å; E262-E264 VanDerWaalsContact O-N 3.16Å
265D43.3Very low53Low136 Ų136107.5 Ų107.573%0.72754%0.543SS*.  trans168.7118.7132.3-87.4-25.7000115.8A267D265-A267 PolarHBondContact O-N 3.19Å
266Y45.8Very low53.5Low241 Ų241105.2 Ų105.295%0.94553%0.532SS*.  trans41.59.8138.9-75.6-85000125
267A43Very low54.5Low55 Ų55103.5 Ų103.546%0.45552%0.518SS..  trans-111.7139.717500000114D265 N269D265-A267 PolarHBondContact O-N 3.19Å; A267-N269 PolarHBondContact O-N 3Å
268M44.1Very low55.4Low154 Ų15499.1 Ų99.176%0.75950%0.502SS*.  trans-60.9129.8170.7-80-89.2-156.200110.3S270 E271 S272M268-S270 PolarHBondContact O-N 3.37Å; M268-E271 PolarHBondContact O-N 3.27Å; M268-S272 PolarHBondContact O-N 3.09Å
269N50.4Low56.2Low144 Ų14498.2 Ų98.277%0.7750%0.497SS*.Hα-helixtrans-49.9-21.6-176.1-66.6-10.1000116.5A267 S272A267-N269 PolarHBondContact O-N 3Å; N269-S272 PolarHBondContact O-OG 2.86Å; N269-S272 VanDerWaalsContact O-OG 3.08Å
270S48.9Very low57.4Low96 Ų9693.1 Ų93.167%0.67148%0.475SS*.Hα-helixtrans-83.3-27.9178.7-1750000113.8M268M268-S270 PolarHBondContact O-N 3.37Å
271E54.2Low58.3Low110 Ų11086 Ų8651%0.51444%0.443SS..Hα-helixtrans-81.8-36.9178.6-66.6-174.4156.200110M268 H273 T274 E275M268-E271 PolarHBondContact O-N 3.27Å; E271-H273 VanDerWaalsContact C-N 3.35Å; E271-H273 PolarHBondContact O-N 2.9Å; E271-T274 PolarHBondContact O-N 3.45Å; E271-T274 PolarHBondContact O-OG1 3.38Å; E271-E275 WeakPolarHBondContact O-CG 3.44Å; E271-E275 PolarHBondContact O-N 2.79Å
272S60.3Low59.3Low22 Ų2282 Ų8215%0.15442%0.42CS..Hα-helixtrans-60.7-39.2175.463.70000112.8M268 N269 E275 K276M268-S272 PolarHBondContact O-N 3.09Å; N269-S272 PolarHBondContact O-OG 2.86Å; N269-S272 VanDerWaalsContact O-OG 3.08Å; S272-E275 PolarHBondContact O-N 3.43Å; S272-K276 WeakPolarHBondContact O-CB 3.49Å; S272-K276 WeakPolarHBondContact O-CG 3.28Å; S272-K276 PolarHBondContact O-N 3.04Å
273H60.7Low60.2Low58 Ų5881.5 Ų81.527%0.26943%0.425SS..Hα-helixtrans-64.8-41.6177.2-178.3-86.8000112.7E271 E275 K276 L277E271-H273 VanDerWaalsContact C-N 3.35Å; E271-H273 PolarHBondContact O-N 2.9Å; H273-E275 VanDerWaalsContact C-N 3.33Å; H273-K276 PolarHBondContact O-N 3.42Å; H273-L277 VanDerWaalsContact CE1-CD1 3.41Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.48Å; H273-L277 PolarHBondContact O-N 3.33Å
274T68.6Low61.8Low66 Ų6673.5 Ų73.541%0.40539%0.388SS..Hα-helixtrans-68.2-3517746.10000112.3E271 S278E271-T274 PolarHBondContact O-N 3.45Å; E271-T274 PolarHBondContact O-OG1 3.38Å; T274-S278 WeakPolarHBondContact O-CB 3.33Å; T274-S278 PolarHBondContact O-N 2.64Å
275E72.7Confident62.9Low90 Ų9066 Ų6642%0.42136%0.356SS..Hα-helixtrans-70.6-40.8176.2-72.2-179.6177.200111.5E271 S272 H273 L277 S278 A279E271-E275 WeakPolarHBondContact O-CG 3.44Å; E271-E275 PolarHBondContact O-N 2.79Å; S272-E275 PolarHBondContact O-N 3.43Å; H273-E275 VanDerWaalsContact C-N 3.33Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.25Å; E275-S278 WeakPolarHBondContact CA-OG 3.18Å; E275-S278 CarbonylContact O-C 3.57Å; E275-S278 WeakPolarHBondContact O-CA 3.37Å; E275-S278 WeakPolarHBondContact O-CB 3.39Å; E275-S278 PolarHBondContact O-N 3.48Å; E275-S278 PolarHBondContact O-OG 2.83Å; E275-A279 PolarHBondContact O-N 3.49Å
276K70.5Confident64.4Low23 Ų2366.3 Ų66.310%0.135%0.347CS..Hα-helixtrans-59.8-41.8172.6-72.3174.1-176-165.40112.1L250 L258 E262 S272 H273 S278 A279 I363L250-K276 HydrophobicContact CD1-CB 3.76Å; L258-K276 HydrophobicContact CB-CD 4.22Å; L258-K276 HydrophobicContact CD1-CB 4.45Å; L258-K276 HydrophobicContact CD1-CD 4.15Å; L258-K276 HydrophobicContact CD1-CG 4.32Å; L258-K276 PolarHBondContact O-NZ 3.29Å; E262-K276 WeakPolarHBondContact OE2-CE 3.5Å; E262-K276 IonicContact OE2-NZ 2.74Å; E262-K276 PolarHBondContact OE2-NZ 3.08Å; S272-K276 WeakPolarHBondContact O-CB 3.49Å; S272-K276 WeakPolarHBondContact O-CG 3.28Å; S272-K276 PolarHBondContact O-N 3.04Å; H273-K276 PolarHBondContact O-N 3.42Å; K276-S278 VanDerWaalsContact C-N 3.33Å; K276-S278 PolarHBondContact O-N 3.02Å; K276-A279 VanDerWaalsContact O-CB 3.31Å; K276-A279 WeakPolarHBondContact O-CB 3.43Å; K276-A279 PolarHBondContact O-N 3.05Å; K276-I363 HydrophobicContact CD-CG2 4.45Å; K276-I363 HydrophobicContact CG-CG2 3.62Å
277L74.6Confident65.1Low14 Ų1459.3 Ų59.37%0.07333%0.329CS..Hα-helixtrans-66.5-33.6172.9-77173.6000113.1V166 N170 P248 L250 H273 E275 A279 L280 L284V166-L277 HydrophobicContact CG1-CB 4.02Å; V166-L277 WeakPolarHBondContact CG1-O 3.27Å; N170-L277 PolarHBondContact ND2-O 3.45Å; P248-L277 HydrophobicContact CB-CD2 4.45Å; P248-L277 HydrophobicContact CG-CD1 4.32Å; L250-L277 HydrophobicContact CD2-CD2 3.6Å; L250-L277 HydrophobicContact CD2-CG 4.43Å; L250-L277 HydrophobicContact CG-CD2 3.96Å; L250-L277 HydrophobicContact CG-CG 4.44Å; H273-L277 VanDerWaalsContact CE1-CD1 3.41Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.48Å; H273-L277 PolarHBondContact O-N 3.33Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.25Å; L277-A279 PolarHBondContact O-N 3.38Å; L277-L280 WeakPolarHBondContact O-CD2 3.39Å; L277-L280 PolarHBondContact O-N 2.94Å; L277-L284 HydrophobicContact CD2-CD2 3.7Å
278S75.3Confident65.9Low36 Ų3660.2 Ų60.225%0.25233%0.329SS..Hα-helixtrans-72.1-16.4176.279.40000113.4T274 E275 K276 L280T274-S278 WeakPolarHBondContact O-CB 3.33Å; T274-S278 PolarHBondContact O-N 2.64Å; E275-S278 WeakPolarHBondContact CA-OG 3.18Å; E275-S278 CarbonylContact O-C 3.57Å; E275-S278 WeakPolarHBondContact O-CA 3.37Å; E275-S278 WeakPolarHBondContact O-CB 3.39Å; E275-S278 PolarHBondContact O-N 3.48Å; E275-S278 PolarHBondContact O-OG 2.83Å; K276-S278 VanDerWaalsContact C-N 3.33Å; K276-S278 PolarHBondContact O-N 3.02Å; S278-L280 VanDerWaalsContact C-N 3.29Å
279A72.1Confident66.1Low1 Ų157.5 Ų57.51%0.00833%0.325CS..THydrogen-bonded Turntrans-72.6-22.3176.800000112.7E275 K276 L277 S281 W357 I363E275-A279 PolarHBondContact O-N 3.49Å; K276-A279 VanDerWaalsContact O-CB 3.31Å; K276-A279 WeakPolarHBondContact O-CB 3.43Å; K276-A279 PolarHBondContact O-N 3.05Å; L277-A279 PolarHBondContact O-N 3.38Å; A279-S281 PolarHBondContact O-N 3.46Å; A279-W357 HydrophobicContact CB-CH2 3.86Å; A279-W357 HydrophobicContact CB-CZ2 3.87Å; A279-W357 WeakPolarHBondContact O-CH2 3.41Å; A279-I363 VanDerWaalsContact CB-O 3.28Å; A279-I363 WeakPolarHBondContact CB-O 3.29Å
280L77.1Confident65.9Low8 Ų854.5 Ų54.54%0.04232%0.315CS..  trans56.713.9177.7-52.4175.9000114.7M169 N170 I173 L277 S278 F346 R349M169-L280 HydrophobicContact CB-CD1 4.35Å; M169-L280 HydrophobicContact CB-CD2 4.2Å; M169-L280 HydrophobicContact SD-CD1 4.34Å; N170-L280 VanDerWaalsContact OD1-CD2 3.27Å; N170-L280 WeakPolarHBondContact OD1-CD2 3.47Å; I173-L280 HydrophobicContact CD1-CB 3.86Å; I173-L280 HydrophobicContact CD1-CD1 4.12Å; I173-L280 HydrophobicContact CD1-CD2 3.92Å; I173-L280 HydrophobicContact CD1-CG 4.18Å; L277-L280 WeakPolarHBondContact O-CD2 3.39Å; L277-L280 PolarHBondContact O-N 2.94Å; S278-L280 VanDerWaalsContact C-N 3.29Å; L280-F346 HydrophobicContact CD1-CB 3.96Å; L280-F346 HydrophobicContact CD1-CD2 4.3Å; L280-R349 WeakPolarHBondContact O-CG 3.43Å; L280-R349 PolarHBondContact O-NE 3.42Å
281S67.6Low65.5Low11 Ų1158.7 Ų58.78%0.07732%0.324CS..  trans-82.3-37.5-177.447.60000113A279 R349 G364A279-S281 PolarHBondContact O-N 3.46Å; S281-R349 PolarHBondContact O-NE 3.38Å; S281-R349 PolarHBondContact O-NH2 2.81Å; S281-G364 WeakPolarHBondContact CB-O 3.2Å; S281-G364 PolarHBondContact OG-O 2.97Å
282S72.4Confident64.7Low20 Ų2061.4 Ų61.414%0.1434%0.337CS..SBendtrans-92.9160.2-173.5-590000114.1
283S73.1Confident63.8Low61 Ų6166.3 Ų66.343%0.42736%0.358SS..PPolyproline II helixtrans-76.9151.1169.845.50000112.1D251D251-S283 PolarHBondContact N-O 3.03Å
284L77.1Confident62.8Low22 Ų2273.1 Ų73.112%0.11539%0.389CS..BIsolated β-bridgetrans-87.3151.5176.1-67.7177.9000112.1N170 Y239 L244 P248 L250 L277N170-L284 HydrophobicContact CB-CD1 3.81Å; N170-L284 HydrophobicContact CB-CG 4.5Å; Y239-L284 HydrophobicContact CE1-CD1 3.79Å; L244-L284 HydrophobicContact CD1-CD1 4.25Å; L244-L284 HydrophobicContact CD2-CB 4.03Å; P248-L284 HydrophobicContact CB-CD1 4.49Å; P248-L284 HydrophobicContact CB-CD2 3.94Å; L250-L284 HydrophobicContact CD2-CD2 4.5Å; L277-L284 HydrophobicContact CD2-CD2 3.7Å
285A69.8Low61.2Low19 Ų1978.8 Ų78.816%0.15741%0.411CS..PPolyproline II helixtrans-69.1127.9174.400000112L244 V245 K249L244-A285 WeakPolarHBondContact CD2-O 3.44Å; V245-A285 PolarHBondContact N-O 3.47Å; K249-A285 HydrophobicContact CB-CB 4.35Å; K249-A285 WeakPolarHBondContact O-CB 3.29Å; K249-A285 PolarHBondContact O-N 3.15Å
286R73.6Confident59.6Low141 Ų14178.4 Ų78.453%0.53242%0.424SS..BIsolated β-bridgetrans-94.1148.8172.1-67.1179-179-174.51.4110.5L244 V288L244-R286 HydrophobicContact CD2-CG 3.63Å; R286-V288 VanDerWaalsContact C-N 3.3Å; R286-V288 WeakPolarHBondContact CB-O 3.42Å
287V61.8Low58.4Low95 Ų9587 Ų8758%0.57646%0.461SS*.SBendtrans-73-26.8176.9179.60000111N243 V245N243-V287 WeakPolarHBondContact O-CB 3.43Å; N243-V287 WeakPolarHBondContact O-CG2 3.42Å; N243-V287 PolarHBondContact O-N 3.45Å; V245-V287 HydrophobicContact CB-CG2 4.42Å; V245-V287 HydrophobicContact CG2-CG2 3.61Å
288V58.2Low56.7Low74 Ų7494 Ų9445%0.44850%0.498SS..SBendtrans-125.4135.5177.3-171.50000108.7R286R286-V288 VanDerWaalsContact C-N 3.3Å; R286-V288 WeakPolarHBondContact CB-O 3.42Å
289S48.9Very low55.1Low96 Ų9698.6 Ų98.667%0.67152%0.519SS*.  trans-68134.3174.942.90000110.5E291S289-E291 PolarHBondContact O-N 3.42Å
290S46.6Very low53.7Low81 Ų81104.2 Ų104.257%0.56655%0.545SS*.THydrogen-bonded Turntrans-73.955.9-174.7540000113.8
291E39.2Very low51.9Low184 Ų184111.7 Ų111.786%0.8658%0.578SS**THydrogen-bonded Turntrans-105.6-11.1168.8-73.7-178.317500112.5S289S289-E291 PolarHBondContact O-N 3.42Å
292E39Very low50.9Low167 Ų167116.6 Ų116.678%0.7861%0.61SS**SBendtrans-114.2-7.2-172.2-66.9-176.5165.300115.8
293E41.9Very low49.6Very low126 Ų126122.2 Ų122.259%0.58964%0.638SS**SBendtrans-111.2-11-170-75.8-177.5170.600116.3N243 E295N243-E293 PolarHBondContact ND2-OE1 2.97Å; N243-E293 VanDerWaalsContact ND2-OE1 3.16Å; E293-E295 VanDerWaalsContact C-N 3.26Å; E293-E295 PolarHBondContact O-N 3.23Å
294E39Very low48.5Very low200 Ų200128.8 Ų128.894%0.93566%0.662SS**THydrogen-bonded Turntrans-77.4-6177.7-78.3-164.1164.800114.3
295E35Very low47.5Very low186 Ų186137 Ų13787%0.86970%0.7SS**THydrogen-bonded Turntrans-116.610.2-178.5-88.8-168.416300115.9E293 K297E293-E295 VanDerWaalsContact C-N 3.26Å; E293-E295 PolarHBondContact O-N 3.23Å; E295-K297 VanDerWaalsContact C-N 3.3Å; E295-K297 PolarHBondContact O-N 2.96Å
296A39.5Very low46.6Very low82 Ų82141.1 Ų141.168%0.67872%0.716SS**  trans-84.274.8170.300000110.6L298A296-L298 PolarHBondContact O-N 2.94Å
297K43.8Very low46.1Very low202 Ų202139 Ų13988%0.87872%0.715SS**  trans-55.7112.5157.8-76.1177-179.61730106.6E295 D299E295-K297 VanDerWaalsContact C-N 3.3Å; E295-K297 PolarHBondContact O-N 2.96Å; K297-D299 PolarHBondContact O-N 3.37Å
298L38.8Very low46.3Very low163 Ų163141 Ų14185%0.85372%0.72SS**  trans-57.9108.6170-84.7157.7000107.5A296 Q300A296-L298 PolarHBondContact O-N 2.94Å; L298-Q300 PolarHBondContact O-N 2.87Å
299D43.3Very low46.9Very low131 Ų131145.2 Ų145.270%0.70174%0.735SS**  trans-64.8103.2173.8-159.514.3000107.4K297 F301K297-D299 PolarHBondContact O-N 3.37Å; D299-F301 PolarHBondContact O-N 3.38Å
300Q42Very low48.1Very low120 Ų120146.5 Ų146.556%0.56173%0.728SS**  trans-76.9102.4175.7-77.7-177.811.300107.5L298 P302L298-Q300 PolarHBondContact O-N 2.87Å; Q300-P302 WeakPolarHBondContact O-CD 3.38Å
301F39.1Very low49.2Very low164 Ų164145.5 Ų145.572%0.71972%0.715SS**  trans-60.8123.2164.2-72.1-86.6000108.2D299 D303D299-F301 PolarHBondContact O-N 3.38Å; F301-D303 PolarHBondContact O-N 2.97Å; F301-D303 VanDerWaalsContact O-N 3.1Å
302P46.1Very low51Low115 Ų115141.3 Ų141.375%0.74770%0.696SS**  trans-67.6108.7173.4-11.225.5000108.2Q300 E304Q300-P302 WeakPolarHBondContact O-CD 3.38Å; P302-E304 PolarHBondContact O-N 3.38Å
303D46.4Very low52.8Low138 Ų138135.7 Ų135.774%0.73868%0.677SS**  trans-72.5119.4161.1-81.3-29000107F301 E305F301-D303 PolarHBondContact O-N 2.97Å; F301-D303 VanDerWaalsContact O-N 3.1Å; D303-E305 PolarHBondContact O-N 3.37Å
304E49.9Very low54.4Low199 Ų199134.4 Ų134.493%0.9367%0.667SS**THydrogen-bonded Turntrans-6717.3-166.4-70.9-175.4150.600116P302P302-E304 PolarHBondContact O-N 3.38Å
305E55.3Low56.4Low194 Ų194129.5 Ų129.591%0.90764%0.644SS**THydrogen-bonded Turntrans-140.910.6-177.2-70.3-173.2162.900116D303D303-E305 PolarHBondContact O-N 3.37Å
306E52Low58.4Low105 Ų105126.7 Ų126.749%0.49163%0.629SS.*SBendtrans-90.7127.3169.6-70.6-163159.700111.9M308 M311 R314E306-M308 PolarHBondContact O-N 3.41Å; E306-M308 VanDerWaalsContact O-N 3.15Å; E306-M311 HydrophobicContact CB-CG 4.47Å; E306-R314 IonicContact OE2-CZ 2.75Å; E306-R314 IonicContact OE2-NH1 3.78Å; E306-R314 PolarHBondContact OE2-NH1 3.21Å; E306-R314 IonicContact OE2-NH2 3.98Å; E306-R314 PolarHBondContact OE2-NH2 2.73Å
307D63Low60.3Low96 Ų96128.3 Ų128.351%0.51362%0.623SS.*  trans-46.9118.5177.7-67.2-48.7000111.8E309 K310 M311D307-E309 PolarHBondContact O-N 2.94Å; D307-K310 HydrophobicContact CB-CB 4.44Å; D307-K310 HydrophobicContact CB-CD 4.17Å; D307-K310 HydrophobicContact CB-CG 4.2Å; D307-K310 PolarHBondContact O-N 3.42Å; D307-K310 WeakPolarHBondContact OD2-CE 3.44Å; D307-K310 IonicContact OD2-NZ 3.23Å; D307-K310 PolarHBondContact OD2-NZ 3.17Å; D307-M311 PolarHBondContact O-N 2.99Å
308M65.1Low62Low139 Ų139123.3 Ų123.369%0.68560%0.602SS**Hα-helixtrans-49.3-35.1178.7-73.3-69.2-65.700112.9E306 K310 M311 E312E306-M308 PolarHBondContact O-N 3.41Å; E306-M308 VanDerWaalsContact O-N 3.15Å; M308-K310 PolarHBondContact O-N 3.03Å; M308-M311 PolarHBondContact O-N 3.2Å; M308-E312 WeakPolarHBondContact O-CG 3.5Å; M308-E312 PolarHBondContact O-N 3.03Å
309E71.9Confident63.9Low162 Ų162120.9 Ų120.976%0.75759%0.585SS**Hα-helixtrans-64.8-36.6177.5-65.3-176.5166.500113.3D307 A313D307-E309 PolarHBondContact O-N 2.94Å; E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 2.93Å; E309-A313 PolarHBondContact O-N 3.45Å
310K73.3Confident65.6Low123 Ų123120.7 Ų120.754%0.53558%0.58SS.*Hα-helixtrans-76-27.2177.9-68.5176.9-175.8145.40112.1D307 M308 R314D307-K310 HydrophobicContact CB-CB 4.44Å; D307-K310 HydrophobicContact CB-CD 4.17Å; D307-K310 HydrophobicContact CB-CG 4.2Å; D307-K310 PolarHBondContact O-N 3.42Å; D307-K310 WeakPolarHBondContact OD2-CE 3.44Å; D307-K310 IonicContact OD2-NZ 3.23Å; D307-K310 PolarHBondContact OD2-NZ 3.17Å; M308-K310 PolarHBondContact O-N 3.03Å; K310-R314 PolarHBondContact O-N 3.35Å; K310-R314 PolarHBondContact O-NE 3.27Å
311M68.8Low67.4Low59 Ų59117.3 Ų117.329%0.29157%0.565SS.*Hα-helixtrans-73.5-46.5173.5-74.3-64.2-76.400110.8E306 D307 M308 A313 R314 E315E306-M311 HydrophobicContact CB-CG 4.47Å; D307-M311 PolarHBondContact O-N 2.99Å; M308-M311 PolarHBondContact O-N 3.2Å; M311-A313 VanDerWaalsContact C-N 3.32Å; M311-A313 PolarHBondContact O-N 3.39Å; M311-R314 PolarHBondContact O-N 3.05Å; M311-R314 PolarHBondContact SD-NH2 2.88Å; M311-E315 PolarHBondContact O-N 3.27Å
312E77.8Confident69.4Low97 Ų97115 Ų11545%0.45356%0.557SS.*Hα-helixtrans-62.3-38.1174.7-74.3-172.5-172.700112.6M308 E315 K316M308-E312 WeakPolarHBondContact O-CG 3.5Å; M308-E312 PolarHBondContact O-N 3.03Å; E312-E315 PolarHBondContact O-N 2.91Å; E312-K316 WeakPolarHBondContact O-CB 3.36Å; E312-K316 VanDerWaalsContact O-CG 3.32Å; E312-K316 WeakPolarHBondContact O-CG 3.33Å; E312-K316 PolarHBondContact O-N 3.44Å
313A77.4Confident71.1Confident48 Ų48114 Ų11440%0.39755%0.549SS..Hα-helixtrans-61.9-47.7174.200000111.6E309 M311 E315 K316 E317E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 2.93Å; E309-A313 PolarHBondContact O-N 3.45Å; M311-A313 VanDerWaalsContact C-N 3.32Å; M311-A313 PolarHBondContact O-N 3.39Å; A313-E315 VanDerWaalsContact C-N 3.33Å; A313-E315 PolarHBondContact O-N 2.97Å; A313-K316 PolarHBondContact O-N 3.32Å; A313-E317 WeakPolarHBondContact O-CG 3.39Å; A313-E317 PolarHBondContact O-N 3.46Å
314R75.8Confident72.8Confident100 Ų100107.5 Ų107.538%0.37751%0.514SS..Hα-helixtrans-60.3-40.4175.3-89-177.9-79.7173.3-8.9112.4E306 K310 M311 E317 Q318E306-R314 IonicContact OE2-CZ 2.75Å; E306-R314 IonicContact OE2-NH1 3.78Å; E306-R314 PolarHBondContact OE2-NH1 3.21Å; E306-R314 IonicContact OE2-NH2 3.98Å; E306-R314 PolarHBondContact OE2-NH2 2.73Å; K310-R314 PolarHBondContact O-N 3.35Å; K310-R314 PolarHBondContact O-NE 3.27Å; M311-R314 PolarHBondContact O-N 3.05Å; M311-R314 PolarHBondContact SD-NH2 2.88Å; R314-E317 PolarHBondContact O-N 3.26Å; R314-Q318 WeakPolarHBondContact O-CB 3.47Å; R314-Q318 VanDerWaalsContact O-CG 3.28Å; R314-Q318 WeakPolarHBondContact O-CG 3.44Å; R314-Q318 PolarHBondContact O-N 3.26Å
315E79.2Confident74.4Confident96 Ų96101.2 Ų101.245%0.44948%0.484SS..Hα-helixtrans-67.2-41.8178.6-162.7-165.816300111.6M311 E312 A313 Q318 K319M311-E315 PolarHBondContact O-N 3.27Å; E312-E315 PolarHBondContact O-N 2.91Å; A313-E315 VanDerWaalsContact C-N 3.33Å; A313-E315 PolarHBondContact O-N 2.97Å; E315-Q318 PolarHBondContact O-N 3.37Å; E315-K319 WeakPolarHBondContact O-CG 3.22Å; E315-K319 PolarHBondContact O-N 3.27Å; E315-K319 WeakPolarHBondContact OE1-CE 3.41Å; E315-K319 IonicContact OE1-NZ 2.66Å; E315-K319 PolarHBondContact OE1-NZ 2.91Å
316K79Confident76Confident127 Ų12797.3 Ų97.355%0.55246%0.463SS*.Hα-helixtrans-62.1-44174.2-75.5170.6-175165.20111.3E312 A313 K319 Q320E312-K316 WeakPolarHBondContact O-CB 3.36Å; E312-K316 VanDerWaalsContact O-CG 3.32Å; E312-K316 WeakPolarHBondContact O-CG 3.33Å; E312-K316 PolarHBondContact O-N 3.44Å; A313-K316 PolarHBondContact O-N 3.32Å; K316-K319 PolarHBondContact O-N 2.88Å; K316-Q320 WeakPolarHBondContact O-CG 3.37Å; K316-Q320 PolarHBondContact O-N 2.7Å
317E78.4Confident77.7Confident117 Ų11792.7 Ų92.755%0.54744%0.442SS..Hα-helixtrans-61.2-45175.2-74.7178.8174.300111.5A313 R314 K319 Q320 L321A313-E317 WeakPolarHBondContact O-CG 3.39Å; A313-E317 PolarHBondContact O-N 3.46Å; R314-E317 PolarHBondContact O-N 3.26Å; E317-K319 PolarHBondContact O-N 3.42Å; E317-Q320 PolarHBondContact O-N 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.15Å; E317-L321 WeakPolarHBondContact O-CG 3.48Å; E317-L321 PolarHBondContact O-N 3.34Å
318Q78.7Confident79Confident96 Ų9688.1 Ų88.145%0.44942%0.418SS..Hα-helixtrans-60-44.7176.2-75.4176.313.200112.1R314 E315 Q320 L321 E322R314-Q318 WeakPolarHBondContact O-CB 3.47Å; R314-Q318 VanDerWaalsContact O-CG 3.28Å; R314-Q318 WeakPolarHBondContact O-CG 3.44Å; R314-Q318 PolarHBondContact O-N 3.26Å; E315-Q318 PolarHBondContact O-N 3.37Å; Q318-Q320 VanDerWaalsContact C-N 3.35Å; Q318-Q320 PolarHBondContact O-N 3.28Å; Q318-L321 WeakPolarHBondContact O-CB 3.4Å; Q318-L321 PolarHBondContact O-N 3.46Å; Q318-L321 VanDerWaalsContact O-N 3.16Å; Q318-E322 WeakPolarHBondContact O-CG 3.47Å; Q318-E322 PolarHBondContact O-N 3.31Å
319K80.3Confident80.1Confident112 Ų11285.9 Ų85.949%0.48741%0.406SS..Hα-helixtrans-62.5-40.2175.9-73.5173.8-176.1166.10112.4E315 K316 E317 L321 E322 T323E315-K319 WeakPolarHBondContact O-CG 3.22Å; E315-K319 PolarHBondContact O-N 3.27Å; E315-K319 WeakPolarHBondContact OE1-CE 3.41Å; E315-K319 IonicContact OE1-NZ 2.66Å; E315-K319 PolarHBondContact OE1-NZ 2.91Å; K316-K319 PolarHBondContact O-N 2.88Å; E317-K319 PolarHBondContact O-N 3.42Å; K319-L321 VanDerWaalsContact C-N 3.34Å; K319-E322 PolarHBondContact O-N 3.41Å; K319-T323 WeakPolarHBondContact O-CB 3.42Å; K319-T323 PolarHBondContact O-N 3.03Å; K319-T323 PolarHBondContact O-OG1 2.79Å
320Q79.1Confident80.7Confident127 Ų12781.7 Ų81.759%0.59341%0.406SS*.Hα-helixtrans-64.1-40.8174-73178.56.800111.2K316 E317 Q318 T323 Q324K316-Q320 WeakPolarHBondContact O-CG 3.37Å; K316-Q320 PolarHBondContact O-N 2.7Å; E317-Q320 PolarHBondContact O-N 3.26Å; Q318-Q320 VanDerWaalsContact C-N 3.35Å; Q318-Q320 PolarHBondContact O-N 3.28Å; Q320-T323 PolarHBondContact O-N 2.73Å; Q320-Q324 WeakPolarHBondContact O-CB 3.45Å; Q320-Q324 PolarHBondContact O-N 3.25Å
321L79.2Confident81.5Confident49 Ų4976.8 Ų76.826%0.25739%0.385SS..Hα-helixtrans-66.1-39.3176.9-69.3172.5000112.2E317 Q318 K319 Q324 K325E317-L321 WeakPolarHBondContact O-CB 3.15Å; E317-L321 WeakPolarHBondContact O-CG 3.48Å; E317-L321 PolarHBondContact O-N 3.34Å; Q318-L321 WeakPolarHBondContact O-CB 3.4Å; Q318-L321 PolarHBondContact O-N 3.46Å; Q318-L321 VanDerWaalsContact O-N 3.16Å; K319-L321 VanDerWaalsContact C-N 3.34Å; L321-Q324 PolarHBondContact O-N 3.38Å; L321-K325 VanDerWaalsContact O-CG 3.25Å; L321-K325 WeakPolarHBondContact O-CG 3.48Å; L321-K325 PolarHBondContact O-N 3.08Å
322E80.4Confident82.7Confident115 Ų11576.4 Ų76.454%0.53738%0.382SS..Hα-helixtrans-64.6-42.6174.3-74.3-174.9171.100112Q318 K319 Q324 K325 K326Q318-E322 WeakPolarHBondContact O-CG 3.47Å; Q318-E322 PolarHBondContact O-N 3.31Å; K319-E322 PolarHBondContact O-N 3.41Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; E322-K325 PolarHBondContact O-N 2.87Å; E322-K326 PolarHBondContact O-N 3.33Å
323T81.6Confident83.4Confident94 Ų9471.8 Ų71.858%0.57736%0.36SS*.Hα-helixtrans-61.2-44.7174.1-540000110.4K319 Q320 K325 K326 I327K319-T323 WeakPolarHBondContact O-CB 3.42Å; K319-T323 PolarHBondContact O-N 3.03Å; K319-T323 PolarHBondContact O-OG1 2.79Å; Q320-T323 PolarHBondContact O-N 2.73Å; T323-K325 VanDerWaalsContact C-N 3.34Å; T323-K325 PolarHBondContact O-N 3.35Å; T323-K326 CarbonylContact O-C 3.58Å; T323-K326 PolarHBondContact O-N 3.21Å; T323-K326 VanDerWaalsContact O-N 3.1Å; T323-I327 PolarHBondContact O-N 3.48Å
324Q81.8Confident84.1Confident2 Ų269.7 Ų69.71%0.00934%0.342CS..Hα-helixtrans-58.4-45.9176.5-165-170.34.100111R179 Q320 L321 E322 K326 I327 F351 K406R179-Q324 PolarHBondContact O-NE2 3.34Å; R179-Q324 VanDerWaalsContact O-NE2 3.16Å; Q320-Q324 WeakPolarHBondContact O-CB 3.45Å; Q320-Q324 PolarHBondContact O-N 3.25Å; L321-Q324 PolarHBondContact O-N 3.38Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; Q324-K326 PolarHBondContact O-N 3.25Å; Q324-K326 VanDerWaalsContact O-N 3.1Å; Q324-I327 HydrophobicContact CB-CD1 4.33Å; Q324-I327 HydrophobicContact CG-CD1 3.75Å; Q324-I327 WeakPolarHBondContact O-CD1 3.45Å; Q324-I327 WeakPolarHBondContact O-CG1 3.45Å; Q324-I327 PolarHBondContact O-N 3.42Å; Q324-F351 HydrophobicContact CG-CE1 4.1Å; Q324-F351 WeakPolarHBondContact O-CD1 3.39Å; Q324-K406 HydrophobicContact CG-CB 4.22Å; Q324-K406 HydrophobicContact CG-CG 4.31Å
325K84.8Confident84.9Confident68 Ų6865 Ų6530%0.29633%0.325SS..Hα-helixtrans-62-17.3178.8-74.3175.1-179-176.50114.3R176 L321 E322 T323 F351R176-K325 HydrophobicContact CB-CB 4.3Å; R176-K325 HydrophobicContact CB-CD 4.33Å; R176-K325 HydrophobicContact CB-CG 4.07Å; R176-K325 WeakPolarHBondContact CD-O 3.33Å; R176-K325 PolarHBondContact NH1-O 2.87Å; R176-K325 WeakPolarHBondContact O-CE 3.41Å; R176-K325 WeakPolarHBondContact O-CG 3.45Å; L321-K325 VanDerWaalsContact O-CG 3.25Å; L321-K325 WeakPolarHBondContact O-CG 3.48Å; L321-K325 PolarHBondContact O-N 3.08Å; E322-K325 PolarHBondContact O-N 2.87Å; T323-K325 VanDerWaalsContact C-N 3.34Å; T323-K325 PolarHBondContact O-N 3.35Å; K325-F351 CarbonylContact O-C 3.57Å
326K87.5Confident85.3Confident111 Ų11162.6 Ų62.648%0.48332%0.315SS..THydrogen-bonded Turntrans-114.414.4-176.4-66.1178.7171.9-173.80113E322 T323 Q324 F328 E329E322-K326 PolarHBondContact O-N 3.33Å; T323-K326 CarbonylContact O-C 3.58Å; T323-K326 PolarHBondContact O-N 3.21Å; T323-K326 VanDerWaalsContact O-N 3.1Å; Q324-K326 PolarHBondContact O-N 3.25Å; Q324-K326 VanDerWaalsContact O-N 3.1Å; K326-F328 VanDerWaalsContact C-N 3.25Å; K326-F328 PolarHBondContact O-N 3.35Å; K326-F328 VanDerWaalsContact O-N 3.14Å; K326-E329 HydrophobicContact CB-CB 4.32Å; K326-E329 WeakPolarHBondContact CB-OE2 3.3Å; K326-E329 VanDerWaalsContact CD-OE2 3.24Å; K326-E329 WeakPolarHBondContact CD-OE2 3.26Å; K326-E329 VanDerWaalsContact CG-OE2 3.27Å; K326-E329 WeakPolarHBondContact CG-OE2 3.49Å; K326-E329 WeakPolarHBondContact O-CB 3.36Å; K326-E329 PolarHBondContact O-N 3.12Å; K326-E329 VanDerWaalsContact O-N 3.12Å
327I88.3Confident85.7Confident9 Ų965.7 Ų65.75%0.04632%0.323CS..THydrogen-bonded Turntrans-53.8-39-176.5-72.6165.3000112.3T323 Q324 R408T323-I327 PolarHBondContact O-N 3.48Å; Q324-I327 HydrophobicContact CB-CD1 4.33Å; Q324-I327 HydrophobicContact CG-CD1 3.75Å; Q324-I327 WeakPolarHBondContact O-CD1 3.45Å; Q324-I327 WeakPolarHBondContact O-CG1 3.45Å; Q324-I327 PolarHBondContact O-N 3.42Å; I327-R408 HydrophobicContact CG2-CG 3.97Å; I327-R408 PolarHBondContact O-NE 3.23Å; I327-R408 PolarHBondContact O-NH2 3.26Å
328F90.1Very high86Confident0 Ų062.8 Ų62.80%031%0.309CS..THydrogen-bonded Turntrans-105.813.6-177.4-61.6-45.2000114K326 G330 L331 F333 I348 F351 G353 W398 V399 C402 V403K326-F328 VanDerWaalsContact C-N 3.25Å; K326-F328 PolarHBondContact O-N 3.35Å; K326-F328 VanDerWaalsContact O-N 3.14Å; F328-G330 PolarHBondContact O-N 2.97Å; F328-L331 HydrophobicContact CD1-CD1 3.99Å; F328-L331 WeakPolarHBondContact O-CB 3.06Å; F328-L331 PolarHBondContact O-N 2.99Å; F328-L331 VanDerWaalsContact O-N 3.13Å; F328-F333 HydrophobicContact CB-CE2 4.09Å; F328-F333 HydrophobicContact CD1-CE2 4.09Å; F328-F333 AromaticContact CD1-CZ 3.87Å; F328-F333 HydrophobicContact CD1-CZ 3.87Å; F328-F333 HydrophobicContact CE1-CZ 4.2Å; F328-F333 HydrophobicContact CG-CE2 4.07Å; F328-F333 HydrophobicContact CG-CZ 4.27Å; F328-I348 HydrophobicContact CD2-CG2 4.48Å; F328-F351 HydrophobicContact CB-CB 4.36Å; F328-F351 HydrophobicContact CD2-CB 3.6Å; F328-F351 HydrophobicContact CD2-CD2 4.44Å; F328-F351 HydrophobicContact CD2-CG 4.38Å; F328-F351 HydrophobicContact CE2-CB 4.23Å; F328-F351 HydrophobicContact CE2-CD2 4.3Å; F328-F351 HydrophobicContact CG-CB 4.28Å; F328-F351 PolarHBondContact N-O 3.34Å; F328-G353 VanDerWaalsContact O-CA 3.28Å; F328-G353 WeakPolarHBondContact O-CA 3.35Å; F328-W398 AromaticContact CE1-CH2 3.85Å; F328-W398 HydrophobicContact CE1-CH2 3.85Å; F328-W398 AromaticContact CE1-CZ3 3.7Å; F328-W398 HydrophobicContact CE1-CZ3 3.7Å; F328-W398 HydrophobicContact CZ-CZ3 4.29Å; F328-V399 HydrophobicContact CE2-CG1 4.06Å; F328-V399 HydrophobicContact CZ-CG1 4.21Å; F328-C402 HydrophobicContact CE1-CB 4.27Å; F328-C402 HydrophobicContact CZ-CB 3.95Å; F328-V403 HydrophobicContact CE2-CG2 4.08Å; F328-V403 HydrophobicContact CZ-CG2 4.44Å
329E88.3Confident86.4Confident92 Ų9258.5 Ų58.543%0.4329%0.29SS..THydrogen-bonded Turntrans-61.7131.2178.9-169.1156.3-131.300111.3K326 L331 R408K326-E329 HydrophobicContact CB-CB 4.32Å; K326-E329 WeakPolarHBondContact CB-OE2 3.3Å; K326-E329 VanDerWaalsContact CD-OE2 3.24Å; K326-E329 WeakPolarHBondContact CD-OE2 3.26Å; K326-E329 VanDerWaalsContact CG-OE2 3.27Å; K326-E329 WeakPolarHBondContact CG-OE2 3.49Å; K326-E329 WeakPolarHBondContact O-CB 3.36Å; K326-E329 PolarHBondContact O-N 3.12Å; K326-E329 VanDerWaalsContact O-N 3.12Å; E329-L331 VanDerWaalsContact C-N 3.31Å; E329-L331 PolarHBondContact O-N 3.06Å; E329-R408 PolarHBondContact O-NH2 2.95Å
330G86.1Confident86.8Confident73 Ų7356.6 Ų56.675%0.75329%0.289SS*.THydrogen-bonded Turntrans81-2.6-176.700000115.7F328F328-G330 PolarHBondContact O-N 2.97Å
331L89.9Confident87.1Confident21 Ų2152.3 Ų52.311%0.1127%0.267CS..  trans-94.3140.4177.1-60.3179.3000111.9F328 E329 F333 Q354F328-L331 HydrophobicContact CD1-CD1 3.99Å; F328-L331 WeakPolarHBondContact O-CB 3.06Å; F328-L331 PolarHBondContact O-N 2.99Å; F328-L331 VanDerWaalsContact O-N 3.13Å; E329-L331 VanDerWaalsContact C-N 3.31Å; E329-L331 PolarHBondContact O-N 3.06Å; L331-F333 HydrophobicContact CB-CD2 4.22Å; L331-F333 HydrophobicContact CB-CE2 3.56Å; L331-F333 HydrophobicContact CB-CZ 4.19Å; L331-F333 HydrophobicContact CD1-CE2 4.11Å; L331-F333 HydrophobicContact CD1-CZ 4.01Å; L331-Q354 PolarHBondContact O-N 3.03Å
332K92.3Very high87.5Confident51 Ų5153.3 Ų53.322%0.22227%0.271CS..EExtended strand (participates in β ladder)trans-112.4116.9175.3-66.7-162.9-174.9-174.40110Q354 Y367 T373 T375 H376K332-Q354 VanDerWaalsContact CE-OE1 3.27Å; K332-Q354 HydrophobicContact CG-CB 4.28Å; K332-Y367 HydrophobicContact CD-CE1 4.43Å; K332-T373 WeakPolarHBondContact CD-OG1 3.39Å; K332-T373 PolarHBondContact NZ-OG1 3.21Å; K332-T375 PolarHBondContact N-OG1 3.12Å; K332-T375 PolarHBondContact O-N 3.2Å; K332-T375 PolarHBondContact O-OG1 2.77Å; K332-H376 PolarHBondContact O-N 3.02Å; K332-H376 VanDerWaalsContact O-N 3.12Å
333F92.8Very high88Confident0 Ų048.2 Ų48.20%025%0.248CC..EExtended strand (participates in β ladder)trans-105.7126.8-178.2-70.5-90.5000111.9F328 L331 I348 Q354 V355 S356 Y367 H376 I378 I394 W398F328-F333 HydrophobicContact CB-CE2 4.09Å; F328-F333 HydrophobicContact CD1-CE2 4.09Å; F328-F333 AromaticContact CD1-CZ 3.87Å; F328-F333 HydrophobicContact CD1-CZ 3.87Å; F328-F333 HydrophobicContact CE1-CZ 4.2Å; F328-F333 HydrophobicContact CG-CE2 4.07Å; F328-F333 HydrophobicContact CG-CZ 4.27Å; L331-F333 HydrophobicContact CB-CD2 4.22Å; L331-F333 HydrophobicContact CB-CE2 3.56Å; L331-F333 HydrophobicContact CB-CZ 4.19Å; L331-F333 HydrophobicContact CD1-CE2 4.11Å; L331-F333 HydrophobicContact CD1-CZ 4.01Å; F333-I348 HydrophobicContact CB-CD1 3.95Å; F333-I348 HydrophobicContact CB-CG2 4.44Å; F333-I348 HydrophobicContact CD1-CD1 4.17Å; F333-I348 HydrophobicContact CD2-CD1 4.35Å; F333-I348 HydrophobicContact CD2-CG2 3.45Å; F333-I348 VanDerWaalsContact CD2-CG2 3.45Å; F333-I348 HydrophobicContact CE2-CG2 3.88Å; F333-I348 HydrophobicContact CG-CD1 3.9Å; F333-I348 HydrophobicContact CG-CG2 4.08Å; F333-Q354 PolarHBondContact N-O 3.24Å; F333-V355 HydrophobicContact CB-CG2 4.49Å; F333-V355 WeakPolarHBondContact O-CA 3.3Å; F333-S356 PolarHBondContact O-N 3.12Å; F333-Y367 PolarHBondContact N-OH 3.17Å; F333-Y367 VanDerWaalsContact N-OH 3.14Å; F333-Y367 PolarHBondContact O-OH 3.32Å; F333-H376 CarbonylContact C-O 3.54Å; F333-H376 WeakPolarHBondContact CA-O 3.38Å; F333-H376 HydrophobicContact CD1-CB 3.51Å; F333-H376 HydrophobicContact CE1-CB 3.5Å; F333-H376 AromaticContact CE1-CG 3.76Å; F333-H376 HydrophobicContact CG-CB 4.35Å; F333-H376 HydrophobicContact CZ-CB 4.35Å; F333-I378 HydrophobicContact CD1-CD1 3.95Å; F333-I378 HydrophobicContact CD1-CG1 4.23Å; F333-I394 HydrophobicContact CE1-CD1 4.34Å; F333-W398 HydrophobicContact CE1-CE3 4.46Å; F333-W398 HydrophobicContact CE1-CH2 4.48Å; F333-W398 AromaticContact CE1-CZ3 3.68Å; F333-W398 HydrophobicContact CE1-CZ3 3.68Å; F333-W398 HydrophobicContact CZ-CH2 4.3Å; F333-W398 AromaticContact CZ-CZ3 3.76Å; F333-W398 HydrophobicContact CZ-CZ3 3.76Å
334F92.4Very high88.5Confident3 Ų343.7 Ų43.71%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-103.9120.2170-168.2-89000110.7D358 Y367 V369 I374 H376 Q377 I378F334-D358 HydrophobicContact CZ-CB 4.31Å; F334-Y367 HydrophobicContact CD2-CD2 4.45Å; F334-Y367 HydrophobicContact CD2-CE2 4.33Å; F334-V369 HydrophobicContact CE1-CB 4.43Å; F334-V369 HydrophobicContact CE1-CG1 4.47Å; F334-V369 HydrophobicContact CE1-CG2 3.65Å; F334-V369 HydrophobicContact CE2-CB 4.36Å; F334-V369 HydrophobicContact CE2-CG2 3.8Å; F334-V369 HydrophobicContact CZ-CB 4.09Å; F334-V369 HydrophobicContact CZ-CG2 3.17Å; F334-I374 HydrophobicContact CB-CD1 4.06Å; F334-I374 HydrophobicContact CB-CG2 3.89Å; F334-I374 HydrophobicContact CD2-CD1 4.02Å; F334-I374 HydrophobicContact CG-CD1 4.26Å; F334-H376 PolarHBondContact N-O 3.05Å; F334-Q377 HydrophobicContact CB-CG 4.37Å; F334-Q377 HydrophobicContact CD1-CG 4.18Å; F334-Q377 WeakPolarHBondContact O-CA 3.47Å; F334-I378 PolarHBondContact O-N 3.32Å
335I91.9Very high88.9Confident3 Ų343.7 Ų43.72%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-96.2124-179.3-58.1175.8000109.8V339 R341 L344 A345 I348 V355 S356 I378I335-V339 HydrophobicContact CG2-CB 4.02Å; I335-V339 HydrophobicContact CG2-CG1 4.46Å; I335-R341 HydrophobicContact CG2-CB 4.5Å; I335-L344 HydrophobicContact CD1-CB 3.76Å; I335-L344 HydrophobicContact CG2-CD1 4.48Å; I335-A345 HydrophobicContact CD1-CB 4.5Å; I335-I348 HydrophobicContact CD1-CD1 4.5Å; I335-V355 HydrophobicContact CD1-CG1 3.4Å; I335-V355 HydrophobicContact CG1-CG1 3.97Å; I335-S356 PolarHBondContact N-O 3.3Å; I335-I378 HydrophobicContact CG1-CD1 4.43Å
336N89.5Confident89.3Confident44 Ų4440.5 Ų40.524%0.23521%0.206CC..PPolyproline II helixtrans-77.2156.9176-159.813.6000112.5E338 V339 I378 V379N336-E338 HydrophobicContact CB-CG 4.46Å; N336-E338 PolarHBondContact ND2-OE1 3.35Å; N336-E338 PolarHBondContact ND2-OE2 2.87Å; N336-E338 PolarHBondContact O-N 2.94Å; N336-E338 VanDerWaalsContact O-N 3.11Å; N336-V339 PolarHBondContact O-N 3.15Å; N336-V339 VanDerWaalsContact O-N 3.14Å; N336-I378 VanDerWaalsContact CB-O 3.25Å; N336-I378 WeakPolarHBondContact CB-O 3.36Å; N336-I378 PolarHBondContact N-O 3.48Å; N336-I378 VanDerWaalsContact N-O 3.15Å; N336-V379 HydrophobicContact CB-CG2 4.15Å
337R85.5Confident89.5Confident193 Ų19335.2 Ų35.273%0.72818%0.183SC*.THydrogen-bonded Turntrans-59.4-26.9-171.2-179.8174.1177.2-1751.5115.2V361R337-V361 HydrophobicContact CB-CG2 3.99Å; R337-V361 HydrophobicContact CG-CG2 3.82Å
338E85.3Confident89.7Confident55 Ų5534.8 Ų34.826%0.25718%0.181SC..THydrogen-bonded Turntrans-74.7-24.3-179.360.7-143.3-171.400114.4N336 V379 D380 R381N336-E338 HydrophobicContact CB-CG 4.46Å; N336-E338 PolarHBondContact ND2-OE1 3.35Å; N336-E338 PolarHBondContact ND2-OE2 2.87Å; N336-E338 PolarHBondContact O-N 2.94Å; N336-E338 VanDerWaalsContact O-N 3.11Å; E338-V379 VanDerWaalsContact OE1-CG1 3.32Å; E338-V379 WeakPolarHBondContact OE1-CG1 3.47Å; E338-D380 HydrophobicContact CG-CB 4.1Å; E338-D380 PolarHBondContact OE1-N 3Å; E338-R381 PolarHBondContact OE1-N 3.35Å; E338-R381 VanDerWaalsContact OE1-N 3.16Å; E338-R381 WeakPolarHBondContact OE2-CD 3.33Å; E338-R381 WeakPolarHBondContact OE2-CG 3.26Å; E338-R381 IonicContact OE2-CZ 3.87Å; E338-R381 IonicContact OE2-NE 3.66Å; E338-R381 PolarHBondContact OE2-NE 3.25Å; E338-R381 IonicContact OE2-NH2 3.07Å
339V88.2Confident89.7Confident7 Ų737 Ų374%0.04219%0.19CC..SBendtrans-88.3140.8-170.3-171.30000109.6I335 N336 R341 L344 I378 D380 P396I335-V339 HydrophobicContact CG2-CB 4.02Å; I335-V339 HydrophobicContact CG2-CG1 4.46Å; N336-V339 PolarHBondContact O-N 3.15Å; N336-V339 VanDerWaalsContact O-N 3.14Å; V339-R341 PolarHBondContact O-N 3.43Å; V339-L344 HydrophobicContact CB-CD1 4.36Å; V339-L344 HydrophobicContact CG1-CD1 3.19Å; V339-L344 HydrophobicContact CG1-CG 4.33Å; V339-I378 HydrophobicContact CG1-CG2 4.18Å; V339-I378 HydrophobicContact CG2-CG2 4.31Å; V339-D380 HydrophobicContact CG2-CB 4.11Å; V339-P396 HydrophobicContact CB-CG 4.44Å; V339-P396 HydrophobicContact CG1-CB 3.96Å; V339-P396 HydrophobicContact CG1-CG 3.47Å; V339-P396 VanDerWaalsContact CG1-CG 3.47Å; V339-P396 HydrophobicContact CG2-CG 4.05Å
340P87.4Confident89.8Confident72 Ų7232.6 Ų32.647%0.46817%0.169SC..  trans-63.195.5178.525.2-35.9000112E342 L344P340-E342 VanDerWaalsContact C-N 3.31Å; P340-E342 PolarHBondContact O-N 3.03Å; P340-L344 PolarHBondContact O-N 2.94Å
341R86.8Confident90Very high36 Ų3629.2 Ų29.214%0.13613%0.134CC..Hα-helixtrans-57.9-41.1-173.589.5179.6-179.2113.77.1113I335 V339 S343 L344 A345 W357 C362I335-R341 HydrophobicContact CG2-CB 4.5Å; V339-R341 PolarHBondContact O-N 3.43Å; R341-S343 VanDerWaalsContact C-N 3.32Å; R341-S343 PolarHBondContact O-N 3.15Å; R341-L344 PolarHBondContact O-N 3.32Å; R341-A345 WeakPolarHBondContact O-CB 3.33Å; R341-A345 PolarHBondContact O-N 3.2Å; R341-W357 VanDerWaalsContact NH1-CZ2 3.33Å; R341-C362 PolarHBondContact NH1-SG 3.42Å; R341-C362 VanDerWaalsContact NH1-SG 3.4Å; R341-C362 PolarHBondContact NH2-SG 3.03Å
342E86.6Confident89.8Confident71 Ų7128.9 Ų28.933%0.33214%0.135SC..Hα-helixtrans-65.6-39.9-167.3-65.2-171.8176.700111.5Q206 P340 F346Q206-E342 VanDerWaalsContact CD-CD 3.41Å; Q206-E342 PolarHBondContact NE2-OE1 2.99Å; Q206-E342 PolarHBondContact NE2-OE2 3.13Å; Q206-E342 PolarHBondContact OE1-OE1 3.16Å; P340-E342 VanDerWaalsContact C-N 3.31Å; P340-E342 PolarHBondContact O-N 3.03Å; E342-F346 WeakPolarHBondContact O-CB 3.34Å; E342-F346 PolarHBondContact O-N 3.27Å
343S91.3Very high89.6Confident7 Ų726.4 Ų26.45%0.04913%0.125CC..Hα-helixtrans-68.9-49.6177178.90000111.5I188 Y190 R341 F346 V347 Y400I188-S343 WeakPolarHBondContact CD1-OG 3.24Å; Y190-S343 WeakPolarHBondContact OH-CB 3.38Å; Y190-S343 PolarHBondContact OH-OG 2.89Å; R341-S343 VanDerWaalsContact C-N 3.32Å; R341-S343 PolarHBondContact O-N 3.15Å; S343-F346 WeakPolarHBondContact O-CB 3.33Å; S343-F346 PolarHBondContact O-N 2.99Å; S343-V347 VanDerWaalsContact O-CG2 3.32Å; S343-V347 WeakPolarHBondContact O-CG2 3.5Å; S343-V347 PolarHBondContact O-N 3.1Å; S343-Y400 WeakPolarHBondContact CB-OH 3.09Å; S343-Y400 PolarHBondContact OG-OH 3.49Å
344L91.2Very high89.4Confident0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-68.2-42.4-177.5-74.4-179.4000112.8I335 V339 P340 R341 F346 V347 I348 I378 P396 V399 Y400I335-L344 HydrophobicContact CD1-CB 3.76Å; I335-L344 HydrophobicContact CG2-CD1 4.48Å; V339-L344 HydrophobicContact CB-CD1 4.36Å; V339-L344 HydrophobicContact CG1-CD1 3.19Å; V339-L344 HydrophobicContact CG1-CG 4.33Å; P340-L344 PolarHBondContact O-N 2.94Å; R341-L344 PolarHBondContact O-N 3.32Å; L344-F346 VanDerWaalsContact C-N 3.29Å; L344-F346 PolarHBondContact O-N 2.98Å; L344-V347 PolarHBondContact O-N 2.89Å; L344-I348 HydrophobicContact CB-CD1 4.29Å; L344-I348 WeakPolarHBondContact O-CB 3.42Å; L344-I348 WeakPolarHBondContact O-CD1 3.13Å; L344-I348 WeakPolarHBondContact O-CG1 3.47Å; L344-I348 PolarHBondContact O-N 3.48Å; L344-I378 HydrophobicContact CD1-CD1 3.97Å; L344-I378 HydrophobicContact CD1-CG2 3.95Å; L344-P396 HydrophobicContact CD1-CB 4.26Å; L344-V399 HydrophobicContact CD2-CB 3.96Å; L344-V399 HydrophobicContact CD2-CG1 4.06Å; L344-V399 HydrophobicContact CD2-CG2 4.19Å; L344-Y400 HydrophobicContact CD2-CE1 4.34Å; L344-Y400 HydrophobicContact CD2-CE2 3.73Å
345A90.9Very high89.2Confident2 Ų231.3 Ų31.32%0.01715%0.148CC..Hα-helixtrans-58.9-44.9175.600000110.3I335 R341 R349 V355 W357I335-A345 HydrophobicContact CD1-CB 4.5Å; R341-A345 WeakPolarHBondContact O-CB 3.33Å; R341-A345 PolarHBondContact O-N 3.2Å; A345-R349 WeakPolarHBondContact O-CB 3.45Å; A345-R349 WeakPolarHBondContact O-CG 3.42Å; A345-R349 PolarHBondContact O-N 3.5Å; A345-R349 VanDerWaalsContact O-N 3.1Å; A345-V355 HydrophobicContact CB-CG1 4.17Å; A345-W357 HydrophobicContact CB-CZ3 4.48Å
346F92.4Very high89.1Confident0 Ų031.1 Ų31.10%015%0.147CC..Hα-helixtrans-58.3-52.9175.2175-113.6000112.1M169 V172 I173 L178 Y190 W201 L280 E342 S343 L344 C350M169-F346 HydrophobicContact CB-CD2 3.9Å; M169-F346 HydrophobicContact CB-CE2 3.86Å; M169-F346 HydrophobicContact CG-CD2 4.04Å; M169-F346 HydrophobicContact CG-CE2 3.96Å; M169-F346 WeakPolarHBondContact O-CE2 3.38Å; V172-F346 HydrophobicContact CB-CE2 4Å; V172-F346 HydrophobicContact CB-CZ 4.02Å; V172-F346 HydrophobicContact CG1-CE2 4.12Å; V172-F346 HydrophobicContact CG1-CZ 3.75Å; I173-F346 HydrophobicContact CD1-CD2 3.89Å; I173-F346 HydrophobicContact CD1-CE2 4.48Å; I173-F346 HydrophobicContact CG1-CD2 3.84Å; I173-F346 HydrophobicContact CG1-CE2 4.07Å; L178-F346 HydrophobicContact CD1-CE1 4.18Å; L178-F346 HydrophobicContact CD1-CZ 4.49Å; L178-F346 HydrophobicContact CD2-CE1 4.1Å; Y190-F346 HydrophobicContact CD1-CD1 4.21Å; Y190-F346 AromaticContact CD1-CE1 3.82Å; Y190-F346 HydrophobicContact CD1-CE1 3.82Å; Y190-F346 AromaticContact CE1-CD1 3.8Å; Y190-F346 HydrophobicContact CE1-CD1 3.8Å; Y190-F346 AromaticContact CE1-CE1 3.9Å; Y190-F346 HydrophobicContact CE1-CE1 3.9Å; Y190-F346 HydrophobicContact CG-CE1 4.16Å; W201-F346 HydrophobicContact CZ2-CZ 4.38Å; L280-F346 HydrophobicContact CD1-CB 3.96Å; L280-F346 HydrophobicContact CD1-CD2 4.3Å; E342-F346 WeakPolarHBondContact O-CB 3.34Å; E342-F346 PolarHBondContact O-N 3.27Å; S343-F346 WeakPolarHBondContact O-CB 3.33Å; S343-F346 PolarHBondContact O-N 2.99Å; L344-F346 VanDerWaalsContact C-N 3.29Å; L344-F346 PolarHBondContact O-N 2.98Å; F346-C350 PolarHBondContact O-N 2.9Å; F346-C350 PolarHBondContact O-SG 2.89Å
347V92.6Very high89Confident0 Ų029.2 Ų29.20%014%0.136CC..Hα-helixtrans-63.6-50.5-177.1174.10000111.8L178 V181 Y190 S343 L344 R349 C350 F351 V399 Y400 V403L178-V347 HydrophobicContact CD2-CG2 4.16Å; V181-V347 HydrophobicContact CG1-CG2 4.42Å; V181-V347 HydrophobicContact CG2-CG2 4.18Å; Y190-V347 HydrophobicContact CE1-CG2 3.92Å; S343-V347 VanDerWaalsContact O-CG2 3.32Å; S343-V347 WeakPolarHBondContact O-CG2 3.5Å; S343-V347 PolarHBondContact O-N 3.1Å; L344-V347 PolarHBondContact O-N 2.89Å; V347-R349 VanDerWaalsContact C-N 3.3Å; V347-R349 PolarHBondContact O-N 2.97Å; V347-C350 WeakPolarHBondContact O-CB 3.3Å; V347-C350 PolarHBondContact O-N 3.26Å; V347-F351 HydrophobicContact CG1-CD2 4.18Å; V347-F351 HydrophobicContact CG1-CE2 4.15Å; V347-F351 WeakPolarHBondContact O-CD2 3.48Å; V347-F351 PolarHBondContact O-N 2.96Å; V347-V399 HydrophobicContact CG1-CG1 3.84Å; V347-Y400 HydrophobicContact CG2-CD1 4.45Å; V347-Y400 HydrophobicContact CG2-CE1 4.07Å; V347-V403 HydrophobicContact CG1-CG2 3.71Å
348I92.3Very high89Confident0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-62.3-40.9-176.8-63.5163.4000110.7F328 F333 I335 L344 F351 G352 G353 V355 I378 V399F328-I348 HydrophobicContact CD2-CG2 4.48Å; F333-I348 HydrophobicContact CB-CD1 3.95Å; F333-I348 HydrophobicContact CB-CG2 4.44Å; F333-I348 HydrophobicContact CD1-CD1 4.17Å; F333-I348 HydrophobicContact CD2-CD1 4.35Å; F333-I348 HydrophobicContact CD2-CG2 3.45Å; F333-I348 VanDerWaalsContact CD2-CG2 3.45Å; F333-I348 HydrophobicContact CE2-CG2 3.88Å; F333-I348 HydrophobicContact CG-CD1 3.9Å; F333-I348 HydrophobicContact CG-CG2 4.08Å; I335-I348 HydrophobicContact CD1-CD1 4.5Å; L344-I348 HydrophobicContact CB-CD1 4.29Å; L344-I348 WeakPolarHBondContact O-CB 3.42Å; L344-I348 WeakPolarHBondContact O-CD1 3.13Å; L344-I348 WeakPolarHBondContact O-CG1 3.47Å; L344-I348 PolarHBondContact O-N 3.48Å; I348-F351 PolarHBondContact O-N 3.24Å; I348-G352 PolarHBondContact O-N 2.86Å; I348-G353 PolarHBondContact O-N 3.33Å; I348-V355 HydrophobicContact CB-CG2 3.49Å; I348-V355 VanDerWaalsContact CB-CG2 3.49Å; I348-V355 HydrophobicContact CD1-CG2 3.91Å; I348-V355 HydrophobicContact CG1-CG2 4.31Å; I348-V355 HydrophobicContact CG2-CG2 3.3Å; I348-I378 HydrophobicContact CD1-CD1 3.83Å; I348-V399 HydrophobicContact CD1-CG2 4.5Å; I348-V399 HydrophobicContact CG1-CG1 3.82Å
349R90.5Very high88.8Confident46 Ų4625.4 Ų25.417%0.17413%0.127CC..Hα-helixtrans-67.6-36.6178.7-66.8-72.7-65.5124.8-3.2112.2I173 L280 S281 A345 V347 F351 G352 G353 V355I173-R349 HydrophobicContact CD1-CB 4.16Å; I173-R349 HydrophobicContact CG1-CB 4.16Å; I173-R349 HydrophobicContact CG2-CB 3.89Å; L280-R349 WeakPolarHBondContact O-CG 3.43Å; L280-R349 PolarHBondContact O-NE 3.42Å; S281-R349 PolarHBondContact O-NE 3.38Å; S281-R349 PolarHBondContact O-NH2 2.81Å; A345-R349 WeakPolarHBondContact O-CB 3.45Å; A345-R349 WeakPolarHBondContact O-CG 3.42Å; A345-R349 PolarHBondContact O-N 3.5Å; A345-R349 VanDerWaalsContact O-N 3.1Å; V347-R349 VanDerWaalsContact C-N 3.3Å; V347-R349 PolarHBondContact O-N 2.97Å; R349-F351 PolarHBondContact O-N 2.86Å; R349-G352 PolarHBondContact O-N 2.98Å; R349-G353 WeakPolarHBondContact CD-O 3.42Å; R349-G353 PolarHBondContact NH1-O 3.39Å; R349-V355 HydrophobicContact CG-CG2 4.2Å
350C90.4Very high88.3Confident1 Ų129.2 Ų29.21%0.00715%0.154CC..Hα-helixtrans-58.8-29174.8-78.60000113.4R176 L178 F346 V347R176-C350 WeakPolarHBondContact CB-O 3.46Å; R176-C350 VanDerWaalsContact CG-O 3.29Å; R176-C350 WeakPolarHBondContact CG-O 2.84Å; L178-C350 HydrophobicContact CB-CB 4.02Å; L178-C350 HydrophobicContact CD2-CB 4.1Å; F346-C350 PolarHBondContact O-N 2.9Å; F346-C350 PolarHBondContact O-SG 2.89Å; V347-C350 WeakPolarHBondContact O-CB 3.3Å; V347-C350 PolarHBondContact O-N 3.26Å
351F89.9Confident87.8Confident2 Ų228.4 Ų28.41%0.00915%0.148CC..THydrogen-bonded Turntrans-104.216.4-179.2-64.8-69000113.8L178 Q324 K325 F328 V347 I348 R349 V403L178-F351 HydrophobicContact CB-CE2 4.44Å; L178-F351 HydrophobicContact CB-CZ 4.21Å; L178-F351 HydrophobicContact CD2-CE2 3.93Å; L178-F351 HydrophobicContact CD2-CZ 4.41Å; L178-F351 HydrophobicContact CG-CE2 4.4Å; L178-F351 HydrophobicContact CG-CZ 4.39Å; Q324-F351 HydrophobicContact CG-CE1 4.1Å; Q324-F351 WeakPolarHBondContact O-CD1 3.39Å; K325-F351 CarbonylContact O-C 3.57Å; F328-F351 HydrophobicContact CB-CB 4.36Å; F328-F351 HydrophobicContact CD2-CB 3.6Å; F328-F351 HydrophobicContact CD2-CD2 4.44Å; F328-F351 HydrophobicContact CD2-CG 4.38Å; F328-F351 HydrophobicContact CE2-CB 4.23Å; F328-F351 HydrophobicContact CE2-CD2 4.3Å; F328-F351 HydrophobicContact CG-CB 4.28Å; F328-F351 PolarHBondContact N-O 3.34Å; V347-F351 HydrophobicContact CG1-CD2 4.18Å; V347-F351 HydrophobicContact CG1-CE2 4.15Å; V347-F351 WeakPolarHBondContact O-CD2 3.48Å; V347-F351 PolarHBondContact O-N 2.96Å; I348-F351 PolarHBondContact O-N 3.24Å; R349-F351 PolarHBondContact O-N 2.86Å; F351-V403 HydrophobicContact CD2-CG1 4.48Å; F351-V403 HydrophobicContact CD2-CG2 3.5Å; F351-V403 HydrophobicContact CE2-CB 3.94Å; F351-V403 HydrophobicContact CE2-CG1 3.41Å; F351-V403 VanDerWaalsContact CE2-CG1 3.41Å; F351-V403 HydrophobicContact CE2-CG2 3.23Å; F351-V403 HydrophobicContact CG-CG2 4.44Å; F351-V403 HydrophobicContact CZ-CB 4.26Å; F351-V403 HydrophobicContact CZ-CG1 3.43Å; F351-V403 VanDerWaalsContact CZ-CG1 3.43Å; F351-V403 HydrophobicContact CZ-CG2 3.94Å
352G85Confident87Confident13 Ų1328.2 Ų28.213%0.13415%0.151CC..THydrogen-bonded Turntrans86.66.8171.600000115.9I348 R349I348-G352 PolarHBondContact O-N 2.86Å; R349-G352 PolarHBondContact O-N 2.98Å
353G87.9Confident86.5Confident0 Ų027 Ų270%015%0.146CC..  trans-75.4156175.500000112.9F328 I348 R349F328-G353 VanDerWaalsContact O-CA 3.28Å; F328-G353 WeakPolarHBondContact O-CA 3.35Å; I348-G353 PolarHBondContact O-N 3.33Å; R349-G353 WeakPolarHBondContact CD-O 3.42Å; R349-G353 PolarHBondContact NH1-O 3.39Å
354Q88.8Confident85.6Confident101 Ų10126.8 Ų26.847%0.47215%0.145SC..EExtended strand (participates in β ladder)trans-96.2135.8169.4-65.3-176.6-1.400109.3L331 K332 F333 Y367L331-Q354 PolarHBondContact O-N 3.03Å; K332-Q354 VanDerWaalsContact CE-OE1 3.27Å; K332-Q354 HydrophobicContact CG-CB 4.28Å; F333-Q354 PolarHBondContact N-O 3.24Å; Q354-Y367 HydrophobicContact CB-CE1 4.37Å; Q354-Y367 PolarHBondContact O-OH 2.83Å; Q354-Y367 VanDerWaalsContact O-OH 3.05Å
355V89.9Confident85Confident4 Ų428 Ų282%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-125140.7-176.6178.80000109.8F333 I335 A345 I348 R349 W357 T366F333-V355 HydrophobicContact CB-CG2 4.49Å; F333-V355 WeakPolarHBondContact O-CA 3.3Å; I335-V355 HydrophobicContact CD1-CG1 3.4Å; I335-V355 HydrophobicContact CG1-CG1 3.97Å; A345-V355 HydrophobicContact CB-CG1 4.17Å; I348-V355 HydrophobicContact CB-CG2 3.49Å; I348-V355 VanDerWaalsContact CB-CG2 3.49Å; I348-V355 HydrophobicContact CD1-CG2 3.91Å; I348-V355 HydrophobicContact CG1-CG2 4.31Å; I348-V355 HydrophobicContact CG2-CG2 3.3Å; R349-V355 HydrophobicContact CG-CG2 4.2Å; V355-W357 HydrophobicContact CG1-CE3 4.17Å; V355-W357 HydrophobicContact CG1-CZ3 4.23Å; V355-T366 PolarHBondContact O-OG1 3.02Å; V355-T366 VanDerWaalsContact O-OG1 3.12Å
356S89.1Confident84.5Confident0 Ų031.6 Ų31.60%018%0.176CC..EExtended strand (participates in β ladder)trans-143168.7166-134.50000112.4F333 I335 T366 Y367F333-S356 PolarHBondContact O-N 3.12Å; I335-S356 PolarHBondContact N-O 3.3Å; S356-T366 WeakPolarHBondContact CB-OG1 3.36Å; S356-T366 PolarHBondContact OG-N 3.37Å; S356-T366 PolarHBondContact OG-OG1 3.19Å; S356-Y367 VanDerWaalsContact CB-CZ 3.4Å; S356-Y367 PolarHBondContact N-OH 3.43Å; S356-Y367 PolarHBondContact OG-N 2.95Å; S356-Y367 PolarHBondContact OG-O 3.1Å; S356-Y367 VanDerWaalsContact OG-O 3.14Å
357W88Confident84.2Confident4 Ų432.6 Ų32.62%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-148.7171.1178.454.381.9000108.9A279 R341 A345 V355 C362 I363 G364 S365A279-W357 HydrophobicContact CB-CH2 3.86Å; A279-W357 HydrophobicContact CB-CZ2 3.87Å; A279-W357 WeakPolarHBondContact O-CH2 3.41Å; R341-W357 VanDerWaalsContact NH1-CZ2 3.33Å; A345-W357 HydrophobicContact CB-CZ3 4.48Å; V355-W357 HydrophobicContact CG1-CE3 4.17Å; V355-W357 HydrophobicContact CG1-CZ3 4.23Å; W357-C362 PolarHBondContact NE1-O 2.58Å; W357-I363 WeakPolarHBondContact CZ2-O 3.46Å; W357-G364 VanDerWaalsContact CZ2-C 3.43Å; W357-G364 WeakPolarHBondContact CZ2-O 3.34Å; W357-S365 VanDerWaalsContact O-CB 3.23Å; W357-S365 WeakPolarHBondContact O-CB 3.4Å
358D84.8Confident83.9Confident59 Ų5935.5 Ų35.532%0.31620%0.195SC..  trans-65.8134.4179.3-178.338.5000112.2F334 S360 V361F334-D358 HydrophobicContact CZ-CB 4.31Å; D358-S360 PolarHBondContact O-N 2.99Å; D358-S360 WeakPolarHBondContact OD2-CB 3.33Å; D358-S360 PolarHBondContact OD2-OG 3.2Å; D358-V361 HydrophobicContact CB-CG2 4.15Å; D358-V361 WeakPolarHBondContact O-CB 3.47Å; D358-V361 PolarHBondContact O-N 3.36Å
359K81.3Confident83.5Confident109 Ų10937.7 Ų37.747%0.47421%0.208SC..THydrogen-bonded Turntrans-51.8-31.6-178-77.4167.6176.9160.90113.1V361 S365 D368K359-V361 VanDerWaalsContact C-N 3.27Å; K359-V361 PolarHBondContact O-N 3.03Å; K359-S365 WeakPolarHBondContact CG-OG 3.48Å; K359-D368 VanDerWaalsContact CD-OD1 3.32Å; K359-D368 WeakPolarHBondContact CD-OD1 3.21Å; K359-D368 WeakPolarHBondContact CE-OD1 3.42Å; K359-D368 VanDerWaalsContact NZ-CG 3.25Å; K359-D368 IonicContact NZ-OD1 3.45Å; K359-D368 PolarHBondContact NZ-OD1 2.96Å; K359-D368 IonicContact NZ-OD2 3.48Å; K359-D368 PolarHBondContact NZ-OD2 3.48Å
360S78.4Confident83.1Confident87 Ų8740.2 Ų40.261%0.60823%0.229SC*.THydrogen-bonded Turntrans-69.9-19.5-179.877.40000114.4D358D358-S360 PolarHBondContact O-N 2.99Å; D358-S360 WeakPolarHBondContact OD2-CB 3.33Å; D358-S360 PolarHBondContact OD2-OG 3.2Å
361V75.2Confident82.9Confident55 Ų5542.4 Ų42.433%0.33324%0.241SC..THydrogen-bonded Turntrans-86.1-46.4-171.9179.50000111.5R337 D358 K359R337-V361 HydrophobicContact CB-CG2 3.99Å; R337-V361 HydrophobicContact CG-CG2 3.82Å; D358-V361 HydrophobicContact CB-CG2 4.15Å; D358-V361 WeakPolarHBondContact O-CB 3.47Å; D358-V361 PolarHBondContact O-N 3.36Å; K359-V361 VanDerWaalsContact C-N 3.27Å; K359-V361 PolarHBondContact O-N 3.03Å
362C70.4Confident82.6Confident31 Ų3150 Ų5021%0.20928%0.276CS..  trans-162.8154.5-179.9-163.90000111.8R341 W357R341-C362 PolarHBondContact NH1-SG 3.42Å; R341-C362 VanDerWaalsContact NH1-SG 3.4Å; R341-C362 PolarHBondContact NH2-SG 3.03Å; W357-C362 PolarHBondContact NE1-O 2.58Å
363I75.7Confident82.7Confident45 Ų4552.7 Ų52.723%0.23129%0.29CS..SBendtrans-60.4142.3171.5-63.1162.7000110.1E262 K276 A279 W357E262-I363 VanDerWaalsContact OE1-CG2 3.3Å; E262-I363 WeakPolarHBondContact OE1-CG2 3.46Å; K276-I363 HydrophobicContact CD-CG2 4.45Å; K276-I363 HydrophobicContact CG-CG2 3.62Å; A279-I363 VanDerWaalsContact CB-O 3.28Å; A279-I363 WeakPolarHBondContact CB-O 3.29Å; W357-I363 WeakPolarHBondContact CZ2-O 3.46Å
364G73.1Confident82.8Confident3 Ų352.8 Ų52.83%0.03129%0.291CS..  trans102.515.9175.300000115.5S281 W357S281-G364 WeakPolarHBondContact CB-O 3.2Å; S281-G364 PolarHBondContact OG-O 2.97Å; W357-G364 VanDerWaalsContact CZ2-C 3.43Å; W357-G364 WeakPolarHBondContact CZ2-O 3.34Å
365S79.3Confident82.9Confident25 Ų2550 Ų5018%0.17528%0.28CS..  trans-65.5128.316958.20000110.7W357 K359W357-S365 VanDerWaalsContact O-CB 3.23Å; W357-S365 WeakPolarHBondContact O-CB 3.4Å; K359-S365 WeakPolarHBondContact CG-OG 3.48Å
366T80.3Confident83Confident78 Ų7850.5 Ų50.548%0.47928%0.283SS..  trans-92.1-31.3-179.148.70000114V355 S356V355-T366 PolarHBondContact O-OG1 3.02Å; V355-T366 VanDerWaalsContact O-OG1 3.12Å; S356-T366 WeakPolarHBondContact CB-OG1 3.36Å; S356-T366 PolarHBondContact OG-N 3.37Å; S356-T366 PolarHBondContact OG-OG1 3.19Å
367Y85.9Confident83.1Confident22 Ų2251 Ų519%0.08629%0.285CS..SBendtrans-151.8152.1-177.348.2-98.3000111.1K332 F333 F334 Q354 S356 I374K332-Y367 HydrophobicContact CD-CE1 4.43Å; F333-Y367 PolarHBondContact N-OH 3.17Å; F333-Y367 VanDerWaalsContact N-OH 3.14Å; F333-Y367 PolarHBondContact O-OH 3.32Å; F334-Y367 HydrophobicContact CD2-CD2 4.45Å; F334-Y367 HydrophobicContact CD2-CE2 4.33Å; Q354-Y367 HydrophobicContact CB-CE1 4.37Å; Q354-Y367 PolarHBondContact O-OH 2.83Å; Q354-Y367 VanDerWaalsContact O-OH 3.05Å; S356-Y367 VanDerWaalsContact CB-CZ 3.4Å; S356-Y367 PolarHBondContact N-OH 3.43Å; S356-Y367 PolarHBondContact OG-N 2.95Å; S356-Y367 PolarHBondContact OG-O 3.1Å; S356-Y367 VanDerWaalsContact OG-O 3.14Å; Y367-I374 HydrophobicContact CD2-CD1 3.99Å; Y367-I374 HydrophobicContact CD2-CG1 3.92Å; Y367-I374 HydrophobicContact CE2-CD1 4.09Å; Y367-I374 HydrophobicContact CE2-CG1 3.75Å
368D84.9Confident83.3Confident60 Ų6050.8 Ų50.832%0.32128%0.284SS..  trans-86.6161.6-175.4-73.3-39.7000112.9K359 T370 D371 I374K359-D368 VanDerWaalsContact CD-OD1 3.32Å; K359-D368 WeakPolarHBondContact CD-OD1 3.21Å; K359-D368 WeakPolarHBondContact CE-OD1 3.42Å; K359-D368 VanDerWaalsContact NZ-CG 3.25Å; K359-D368 IonicContact NZ-OD1 3.45Å; K359-D368 PolarHBondContact NZ-OD1 2.96Å; K359-D368 IonicContact NZ-OD2 3.48Å; K359-D368 PolarHBondContact NZ-OD2 3.48Å; D368-T370 PolarHBondContact O-N 2.86Å; D368-D371 WeakPolarHBondContact O-CB 3.21Å; D368-D371 PolarHBondContact O-N 2.92Å; D368-D371 VanDerWaalsContact O-N 3.11Å; D368-I374 WeakPolarHBondContact O-CD1 3.49Å
369V83.9Confident83.6Confident46 Ų4648 Ų4828%0.27927%0.269SS..THydrogen-bonded Turntrans-53.5-27.4177.6-175.40000112.1F334 D371 Y388 R391F334-V369 HydrophobicContact CE1-CB 4.43Å; F334-V369 HydrophobicContact CE1-CG1 4.47Å; F334-V369 HydrophobicContact CE1-CG2 3.65Å; F334-V369 HydrophobicContact CE2-CB 4.36Å; F334-V369 HydrophobicContact CE2-CG2 3.8Å; F334-V369 HydrophobicContact CZ-CB 4.09Å; F334-V369 HydrophobicContact CZ-CG2 3.17Å; V369-D371 VanDerWaalsContact C-N 3.35Å; V369-Y388 HydrophobicContact CG1-CE2 4.45Å; V369-R391 PolarHBondContact O-NH1 3.09Å; V369-R391 PolarHBondContact O-NH2 3.33Å
370T83.8Confident83.8Confident99 Ų9947.3 Ų47.361%0.60727%0.271SS*.THydrogen-bonded Turntrans-84.8-3.7-174.753.60000114.2D368 E372D368-T370 PolarHBondContact O-N 2.86Å; T370-E372 PolarHBondContact O-N 3.45Å
371D85.2Confident84.1Confident48 Ų4850.3 Ų50.326%0.25727%0.269SS..  trans-69.4121-175.9-174-11.7000112.1D368 V369 T373 I374 R391D368-D371 WeakPolarHBondContact O-CB 3.21Å; D368-D371 PolarHBondContact O-N 2.92Å; D368-D371 VanDerWaalsContact O-N 3.11Å; V369-D371 VanDerWaalsContact C-N 3.35Å; D371-T373 PolarHBondContact O-N 3.02Å; D371-T373 WeakPolarHBondContact OD1-CB 3.33Å; D371-T373 WeakPolarHBondContact OD1-CG2 3.44Å; D371-T373 PolarHBondContact OD1-N 2.99Å; D371-T373 PolarHBondContact OD1-OG1 2.7Å; D371-T373 PolarHBondContact OD2-OG1 3.33Å; D371-I374 HydrophobicContact CB-CD1 4.1Å; D371-I374 HydrophobicContact CB-CG1 4.24Å; D371-I374 WeakPolarHBondContact O-CD1 3.39Å; D371-I374 WeakPolarHBondContact O-CG1 3.38Å; D371-I374 PolarHBondContact O-N 2.96Å; D371-R391 PolarHBondContact O-NH2 3.37Å
372E84.1Confident84.3Confident161 Ų16153.1 Ų53.175%0.75229%0.288SS*.THydrogen-bonded Turntrans-67.5-15.4-178.7-64.6-178.4174.900113.7T370 I374 N390T370-E372 PolarHBondContact O-N 3.45Å; E372-I374 VanDerWaalsContact C-N 3.28Å; E372-I374 PolarHBondContact O-N 3.23Å; E372-N390 WeakPolarHBondContact CA-ND2 3.19Å; E372-N390 PolarHBondContact O-ND2 2.66Å
373T87.6Confident84.5Confident70 Ų7057.2 Ų57.243%0.42931%0.308SS..THydrogen-bonded Turntrans-79.5-7.4-179.866.20000114.1K332 D371 T375K332-T373 WeakPolarHBondContact CD-OG1 3.39Å; K332-T373 PolarHBondContact NZ-OG1 3.21Å; D371-T373 PolarHBondContact O-N 3.02Å; D371-T373 WeakPolarHBondContact OD1-CB 3.33Å; D371-T373 WeakPolarHBondContact OD1-CG2 3.44Å; D371-T373 PolarHBondContact OD1-N 2.99Å; D371-T373 PolarHBondContact OD1-OG1 2.7Å; D371-T373 PolarHBondContact OD2-OG1 3.33Å; T373-T375 PolarHBondContact O-N 3.36Å
374I89.8Confident84.6Confident2 Ų256.2 Ų56.21%0.0130%0.304CS..  trans-66.3130.8176.5-63.8167.2000109.2F334 Y367 D368 D371 E372 R391F334-I374 HydrophobicContact CB-CD1 4.06Å; F334-I374 HydrophobicContact CB-CG2 3.89Å; F334-I374 HydrophobicContact CD2-CD1 4.02Å; F334-I374 HydrophobicContact CG-CD1 4.26Å; Y367-I374 HydrophobicContact CD2-CD1 3.99Å; Y367-I374 HydrophobicContact CD2-CG1 3.92Å; Y367-I374 HydrophobicContact CE2-CD1 4.09Å; Y367-I374 HydrophobicContact CE2-CG1 3.75Å; D368-I374 WeakPolarHBondContact O-CD1 3.49Å; D371-I374 HydrophobicContact CB-CD1 4.1Å; D371-I374 HydrophobicContact CB-CG1 4.24Å; D371-I374 WeakPolarHBondContact O-CD1 3.39Å; D371-I374 WeakPolarHBondContact O-CG1 3.38Å; D371-I374 PolarHBondContact O-N 2.96Å; E372-I374 VanDerWaalsContact C-N 3.28Å; E372-I374 PolarHBondContact O-N 3.23Å; I374-R391 HydrophobicContact CG2-CG 4.48Å; I374-R391 WeakPolarHBondContact O-CG 3.48Å
375T90.3Very high84.6Confident41 Ų4164 Ų6425%0.25235%0.345SS..  trans-100.5-39.5179.457.90000112.4K332 T373 Y392K332-T375 PolarHBondContact N-OG1 3.12Å; K332-T375 PolarHBondContact O-N 3.2Å; K332-T375 PolarHBondContact O-OG1 2.77Å; T373-T375 PolarHBondContact O-N 3.36Å; T375-Y392 PolarHBondContact O-N 2.85Å
376H91.4Very high84.6Confident15 Ų1570.3 Ų70.37%0.06937%0.369CS..EExtended strand (participates in β ladder)trans-128.2134.6-176.9-61.474.4000110.5K332 F333 F334 Y392 I394K332-H376 PolarHBondContact O-N 3.02Å; K332-H376 VanDerWaalsContact O-N 3.12Å; F333-H376 CarbonylContact C-O 3.54Å; F333-H376 WeakPolarHBondContact CA-O 3.38Å; F333-H376 HydrophobicContact CD1-CB 3.51Å; F333-H376 HydrophobicContact CE1-CB 3.5Å; F333-H376 AromaticContact CE1-CG 3.76Å; F333-H376 HydrophobicContact CG-CB 4.35Å; F333-H376 HydrophobicContact CZ-CB 4.35Å; F334-H376 PolarHBondContact N-O 3.05Å; H376-Y392 AromaticContact NE2-CD2 4Å; H376-I394 HydrophobicContact CB-CD1 4.22Å
377Q91.4Very high84.5Confident10 Ų1072.2 Ų72.25%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-119.9119.1175.3-175167.7-12.800109.2F334 V379 Y392 Y393 I394F334-Q377 HydrophobicContact CB-CG 4.37Å; F334-Q377 HydrophobicContact CD1-CG 4.18Å; F334-Q377 WeakPolarHBondContact O-CA 3.47Å; Q377-V379 HydrophobicContact CG-CG2 4.07Å; Q377-Y392 PolarHBondContact N-O 3Å; Q377-Y393 HydrophobicContact CB-CD1 4.1Å; Q377-Y393 HydrophobicContact CB-CE1 4.05Å; Q377-Y393 VanDerWaalsContact CD-CE1 3.42Å; Q377-Y393 HydrophobicContact CG-CD1 4.2Å; Q377-Y393 HydrophobicContact CG-CE1 3.97Å; Q377-Y393 WeakPolarHBondContact O-CA 3.46Å; Q377-Y393 VanDerWaalsContact OE1-CE1 3.27Å; Q377-Y393 PolarHBondContact OE1-OH 2.86Å; Q377-I394 PolarHBondContact O-N 2.87Å
378I92.4Very high84.4Confident0 Ų074.9 Ų74.90%038%0.383CS..EExtended strand (participates in β ladder)trans-92.3120.8-175.6-54.7175.8000109.4F333 F334 I335 N336 V339 L344 I348 I394 P396 V399F333-I378 HydrophobicContact CD1-CD1 3.95Å; F333-I378 HydrophobicContact CD1-CG1 4.23Å; F334-I378 PolarHBondContact O-N 3.32Å; I335-I378 HydrophobicContact CG1-CD1 4.43Å; N336-I378 VanDerWaalsContact CB-O 3.25Å; N336-I378 WeakPolarHBondContact CB-O 3.36Å; N336-I378 PolarHBondContact N-O 3.48Å; N336-I378 VanDerWaalsContact N-O 3.15Å; V339-I378 HydrophobicContact CG1-CG2 4.18Å; V339-I378 HydrophobicContact CG2-CG2 4.31Å; L344-I378 HydrophobicContact CD1-CD1 3.97Å; L344-I378 HydrophobicContact CD1-CG2 3.95Å; I348-I378 HydrophobicContact CD1-CD1 3.83Å; I378-I394 WeakPolarHBondContact CA-O 3.33Å; I378-I394 HydrophobicContact CG1-CD1 4.26Å; I378-I394 HydrophobicContact CG1-CG1 4.21Å; I378-P396 HydrophobicContact CG2-CB 4.09Å; I378-P396 HydrophobicContact CG2-CG 3.76Å; I378-V399 HydrophobicContact CD1-CG2 3.73Å
379V90.7Very high84.3Confident0 Ų081.6 Ų81.60%042%0.415CS..  trans-140.2140.4-173.2171.50000109.5N336 E338 Q377 R381 V384 Y393 I394 Q395 L416N336-V379 HydrophobicContact CB-CG2 4.15Å; E338-V379 VanDerWaalsContact OE1-CG1 3.32Å; E338-V379 WeakPolarHBondContact OE1-CG1 3.47Å; Q377-V379 HydrophobicContact CG-CG2 4.07Å; V379-R381 HydrophobicContact CG1-CB 4.08Å; V379-V384 HydrophobicContact CB-CG2 4.41Å; V379-V384 HydrophobicContact CG1-CG2 3.56Å; V379-V384 HydrophobicContact CG2-CG2 4.24Å; V379-Y393 HydrophobicContact CG2-CD1 4.24Å; V379-I394 PolarHBondContact N-O 2.99Å; V379-Q395 WeakPolarHBondContact O-CA 3.23Å; V379-L416 HydrophobicContact CB-CD2 3.83Å; V379-L416 HydrophobicContact CG1-CD1 4.27Å; V379-L416 HydrophobicContact CG1-CD2 3.81Å
380D86.6Confident84.4Confident96 Ų9683.2 Ų83.251%0.51342%0.422SS..  trans-117.48.8178.5-163.234.3000112.3E338 V339 P396E338-D380 HydrophobicContact CG-CB 4.1Å; E338-D380 PolarHBondContact OE1-N 3Å; V339-D380 HydrophobicContact CG2-CB 4.11Å; D380-P396 HydrophobicContact CB-CG 4.33Å
381R84.4Confident84.6Confident149 Ų14979.1 Ų79.156%0.56240%0.396SS*.SBendtrans-87.2147.3170.7-81.7175.4-160.9-108.8-7.2112.5E338 V379 N383E338-R381 PolarHBondContact OE1-N 3.35Å; E338-R381 VanDerWaalsContact OE1-N 3.16Å; E338-R381 WeakPolarHBondContact OE2-CD 3.33Å; E338-R381 WeakPolarHBondContact OE2-CG 3.26Å; E338-R381 IonicContact OE2-CZ 3.87Å; E338-R381 IonicContact OE2-NE 3.66Å; E338-R381 PolarHBondContact OE2-NE 3.25Å; E338-R381 IonicContact OE2-NH2 3.07Å; V379-R381 HydrophobicContact CG1-CB 4.08Å; R381-N383 PolarHBondContact O-N 2.93Å
382P78Confident84.8Confident115 Ų11582.7 Ų82.775%0.74741%0.406SS*.SBendtrans-67.6-23.1176.127.8-35000113.2
383N75.9Confident85.1Confident116 Ų11675.9 Ų75.962%0.6237%0.374SS*.  trans-146.2150176-156.8-1.9000111.3R381R381-N383 PolarHBondContact O-N 2.93Å
384V78.3Confident85.3Confident24 Ų2472.5 Ų72.515%0.14535%0.353CS..  trans-124.8126.7-178.4-176.20000108.8V379 K386 Q387 Y393 L416V379-V384 HydrophobicContact CB-CG2 4.41Å; V379-V384 HydrophobicContact CG1-CG2 3.56Å; V379-V384 HydrophobicContact CG2-CG2 4.24Å; V384-K386 VanDerWaalsContact C-N 3.28Å; V384-K386 WeakPolarHBondContact CG1-O 3.42Å; V384-K386 PolarHBondContact O-N 2.77Å; V384-Q387 HydrophobicContact CB-CG 4.31Å; V384-Y393 HydrophobicContact CG1-CE1 4.42Å; V384-L416 HydrophobicContact CG2-CD1 3.61Å
385D71.9Confident85.4Confident168 Ų16873.4 Ų73.490%0.89836%0.357SS*.SBendtrans-65.3-29.3-175.1-60.9-36.9000113.7
386K79.2Confident85.5Confident156 Ų15672.2 Ų72.268%0.67835%0.351SS*.  trans-128.8112.4179.8-66.1-175.7-177.9179.30110.4V384V384-K386 VanDerWaalsContact C-N 3.28Å; V384-K386 WeakPolarHBondContact CG1-O 3.42Å; V384-K386 PolarHBondContact O-N 2.77Å
387Q79.7Confident85.6Confident119 Ų11973.1 Ų73.156%0.55636%0.355SS*.  trans-109.5134.9174.7-65.2-178.36.700110.4V384 Y393V384-Q387 HydrophobicContact CB-CG 4.31Å; Q387-Y393 WeakPolarHBondContact CA-OH 3.3Å; Q387-Y393 HydrophobicContact CB-CE2 3.9Å; Q387-Y393 HydrophobicContact CG-CD2 4.47Å; Q387-Y393 HydrophobicContact CG-CE2 4.09Å
388Y83.6Confident85.6Confident77 Ų7772.9 Ų72.930%0.30235%0.353SS..  trans-102.9132173.3-63.7-82.9000109.1V369 N390 R391 Y393V369-Y388 HydrophobicContact CG1-CE2 4.45Å; Y388-N390 VanDerWaalsContact C-N 3.25Å; Y388-N390 VanDerWaalsContact CB-OD1 3.29Å; Y388-N390 WeakPolarHBondContact CB-OD1 3.41Å; Y388-N390 PolarHBondContact O-N 2.91Å; Y388-R391 PolarHBondContact O-N 3.19Å; Y388-Y393 WeakPolarHBondContact CD2-OH 3.44Å; Y388-Y393 PolarHBondContact N-OH 3.21Å
389M81.8Confident85.6Confident202 Ų20272.9 Ų72.9100%0.99535%0.353SS*.THydrogen-bonded Turntrans-69.1-21.1-175.7-69.4-172.4173.600113.9R391M389-R391 VanDerWaalsContact C-N 3.26Å; M389-R391 PolarHBondContact O-N 3.41Å
390N86.1Confident85.7Confident79 Ų7973.1 Ų73.142%0.42235%0.354SS..THydrogen-bonded Turntrans-83.78-179.160.2-30.5000114E372 Y388E372-N390 WeakPolarHBondContact CA-ND2 3.19Å; E372-N390 PolarHBondContact O-ND2 2.66Å; Y388-N390 VanDerWaalsContact C-N 3.25Å; Y388-N390 VanDerWaalsContact CB-OD1 3.29Å; Y388-N390 WeakPolarHBondContact CB-OD1 3.41Å; Y388-N390 PolarHBondContact O-N 2.91Å
391R88.8Confident85.9Confident13 Ų1369.2 Ų69.25%0.04933%0.333CS..SBendtrans-132.4145.6-171.3-55.6-175.3-172170.23.7112.3V369 D371 I374 Y388 M389 Y393V369-R391 PolarHBondContact O-NH1 3.09Å; V369-R391 PolarHBondContact O-NH2 3.33Å; D371-R391 PolarHBondContact O-NH2 3.37Å; I374-R391 HydrophobicContact CG2-CG 4.48Å; I374-R391 WeakPolarHBondContact O-CG 3.48Å; Y388-R391 PolarHBondContact O-N 3.19Å; M389-R391 VanDerWaalsContact C-N 3.26Å; M389-R391 PolarHBondContact O-N 3.41Å; R391-Y393 HydrophobicContact CB-CE2 4.39Å
392Y89.1Confident86.1Confident123 Ų12362.1 Ų62.148%0.48231%0.307SS..EExtended strand (participates in β ladder)trans-90.1124.1169.6-61.6-71.1000110.6T375 H376 Q377 V411 F415T375-Y392 PolarHBondContact O-N 2.85Å; H376-Y392 AromaticContact NE2-CD2 4Å; Q377-Y392 PolarHBondContact N-O 3Å; Y392-V411 HydrophobicContact CD1-CG2 4.1Å; Y392-V411 HydrophobicContact CE1-CG2 4.38Å; Y392-F415 HydrophobicContact CD1-CE1 4.16Å; Y392-F415 HydrophobicContact CD1-CZ 4.33Å
393Y90.6Very high86.7Confident18 Ų1856.6 Ų56.67%0.07127%0.271CS..EExtended strand (participates in β ladder)trans-93.8104.2174.8-70.9-86.7000109.7Q377 V379 V384 Q387 Y388 R391 F415 L416Q377-Y393 HydrophobicContact CB-CD1 4.1Å; Q377-Y393 HydrophobicContact CB-CE1 4.05Å; Q377-Y393 VanDerWaalsContact CD-CE1 3.42Å; Q377-Y393 HydrophobicContact CG-CD1 4.2Å; Q377-Y393 HydrophobicContact CG-CE1 3.97Å; Q377-Y393 WeakPolarHBondContact O-CA 3.46Å; Q377-Y393 VanDerWaalsContact OE1-CE1 3.27Å; Q377-Y393 PolarHBondContact OE1-OH 2.86Å; V379-Y393 HydrophobicContact CG2-CD1 4.24Å; V384-Y393 HydrophobicContact CG1-CE1 4.42Å; Q387-Y393 WeakPolarHBondContact CA-OH 3.3Å; Q387-Y393 HydrophobicContact CB-CE2 3.9Å; Q387-Y393 HydrophobicContact CG-CD2 4.47Å; Q387-Y393 HydrophobicContact CG-CE2 4.09Å; Y388-Y393 WeakPolarHBondContact CD2-OH 3.44Å; Y388-Y393 PolarHBondContact N-OH 3.21Å; R391-Y393 HydrophobicContact CB-CE2 4.39Å; Y393-F415 WeakPolarHBondContact O-CD1 3.33Å; Y393-L416 HydrophobicContact CD1-CD1 4.39Å; Y393-L416 HydrophobicContact CG-CD1 4.3Å
394I92.3Very high87.3Confident0 Ų052.5 Ų52.50%025%0.249CC..EExtended strand (participates in β ladder)trans-120.6152.6-172.255.3164.4000111.5F333 H376 Q377 I378 V379 W398 V411F333-I394 HydrophobicContact CE1-CD1 4.34Å; H376-I394 HydrophobicContact CB-CD1 4.22Å; Q377-I394 PolarHBondContact O-N 2.87Å; I378-I394 WeakPolarHBondContact CA-O 3.33Å; I378-I394 HydrophobicContact CG1-CD1 4.26Å; I378-I394 HydrophobicContact CG1-CG1 4.21Å; V379-I394 PolarHBondContact N-O 2.99Å; I394-W398 HydrophobicContact CD1-CB 4.35Å; I394-W398 HydrophobicContact CD1-CD2 3.81Å; I394-W398 HydrophobicContact CD1-CE3 3.34Å; I394-W398 HydrophobicContact CD1-CG 4.27Å; I394-W398 HydrophobicContact CD1-CZ3 3.88Å; I394-V411 HydrophobicContact CG2-CB 4.12Å; I394-V411 HydrophobicContact CG2-CG1 4.18Å
395Q91.8Very high87.6Confident20 Ų2051.9 Ų51.99%0.09325%0.245CC..  trans-80.1154.5172.8-69.6176.5-9.700111.7V379 Q397 W398 Y414 L416 L420V379-Q395 WeakPolarHBondContact O-CA 3.23Å; Q395-Q397 PolarHBondContact O-N 2.82Å; Q395-Q397 VanDerWaalsContact O-N 3.09Å; Q395-W398 PolarHBondContact O-N 2.94Å; Q395-Y414 PolarHBondContact N-O 3.26Å; Q395-L416 HydrophobicContact CG-CD2 4.26Å; Q395-L420 HydrophobicContact CB-CD2 4.24Å
396P92.4Very high88.2Confident17 Ų1749.3 Ų49.311%0.1123%0.226CC..THydrogen-bonded Turntrans-56.7-29.6-176.1-26.335000114.5V339 L344 I378 D380 W398 V399 Y400V339-P396 HydrophobicContact CB-CG 4.44Å; V339-P396 HydrophobicContact CG1-CB 3.96Å; V339-P396 HydrophobicContact CG1-CG 3.47Å; V339-P396 VanDerWaalsContact CG1-CG 3.47Å; V339-P396 HydrophobicContact CG2-CG 4.05Å; L344-P396 HydrophobicContact CD1-CB 4.26Å; I378-P396 HydrophobicContact CG2-CB 4.09Å; I378-P396 HydrophobicContact CG2-CG 3.76Å; D380-P396 HydrophobicContact CB-CG 4.33Å; P396-W398 VanDerWaalsContact C-N 3.26Å; P396-W398 PolarHBondContact O-N 3.28Å; P396-V399 PolarHBondContact O-N 3.49Å; P396-Y400 WeakPolarHBondContact O-CD2 3.46Å
397Q91.8Very high88.5Confident33 Ų3344 Ų4415%0.15420%0.204CC..Hα-helixtrans-58.9-36.2-176.4-173.1175-26.900113Q395 V399 Y400 D401 Y414 L420 P421Q395-Q397 PolarHBondContact O-N 2.82Å; Q395-Q397 VanDerWaalsContact O-N 3.09Å; Q397-V399 PolarHBondContact O-N 3.37Å; Q397-V399 VanDerWaalsContact O-N 3.15Å; Q397-Y400 PolarHBondContact O-N 2.88Å; Q397-D401 VanDerWaalsContact CG-OD2 3.27Å; Q397-D401 WeakPolarHBondContact CG-OD2 3.11Å; Q397-D401 PolarHBondContact NE2-OD2 3Å; Q397-D401 PolarHBondContact O-N 2.98Å; Q397-Y414 HydrophobicContact CB-CD1 4.36Å; Q397-Y414 HydrophobicContact CB-CE1 4.38Å; Q397-Y414 HydrophobicContact CG-CE1 4.14Å; Q397-L420 HydrophobicContact CB-CD1 4.2Å; Q397-L420 HydrophobicContact CB-CD2 4.2Å; Q397-L420 VanDerWaalsContact OE1-CD1 3.25Å; Q397-P421 PolarHBondContact NE2-O 3.47Å
398W92.8Very high88.8Confident5 Ų544.7 Ų44.72%0.01920%0.202CC..Hα-helixtrans-53.6-39.4-180179.984.3000112.6F328 F333 I394 Q395 P396 C402 L409 V411 Y414F328-W398 AromaticContact CE1-CH2 3.85Å; F328-W398 HydrophobicContact CE1-CH2 3.85Å; F328-W398 AromaticContact CE1-CZ3 3.7Å; F328-W398 HydrophobicContact CE1-CZ3 3.7Å; F328-W398 HydrophobicContact CZ-CZ3 4.29Å; F333-W398 HydrophobicContact CE1-CE3 4.46Å; F333-W398 HydrophobicContact CE1-CH2 4.48Å; F333-W398 AromaticContact CE1-CZ3 3.68Å; F333-W398 HydrophobicContact CE1-CZ3 3.68Å; F333-W398 HydrophobicContact CZ-CH2 4.3Å; F333-W398 AromaticContact CZ-CZ3 3.76Å; F333-W398 HydrophobicContact CZ-CZ3 3.76Å; I394-W398 HydrophobicContact CD1-CB 4.35Å; I394-W398 HydrophobicContact CD1-CD2 3.81Å; I394-W398 HydrophobicContact CD1-CE3 3.34Å; I394-W398 HydrophobicContact CD1-CG 4.27Å; I394-W398 HydrophobicContact CD1-CZ3 3.88Å; Q395-W398 PolarHBondContact O-N 2.94Å; P396-W398 VanDerWaalsContact C-N 3.26Å; P396-W398 PolarHBondContact O-N 3.28Å; W398-C402 VanDerWaalsContact O-CB 3.31Å; W398-C402 WeakPolarHBondContact O-CB 3.16Å; W398-C402 PolarHBondContact O-N 3.29Å; W398-C402 PolarHBondContact O-SG 3.37Å; W398-L409 PolarHBondContact NE1-O 2.81Å; W398-V411 HydrophobicContact CZ2-CG1 3.99Å; W398-Y414 HydrophobicContact CB-CD1 3.75Å; W398-Y414 HydrophobicContact CB-CD2 4.32Å; W398-Y414 HydrophobicContact CB-CE1 4.36Å; W398-Y414 HydrophobicContact CB-CG 3.72Å; W398-Y414 AromaticContact CD1-CD2 3.51Å; W398-Y414 AromaticContact CD1-CE2 3.98Å; W398-Y414 AromaticContact CD1-CG 3.78Å; W398-Y414 HydrophobicContact CG-CD2 4.31Å; W398-Y414 HydrophobicContact CG-CG 4.16Å
399V92.1Very high89Confident0 Ų041.6 Ų41.60%019%0.19CC..Hα-helixtrans-64.3-44.7-179.9178.10000110.9F328 L344 V347 I348 I378 P396 Q397 V403F328-V399 HydrophobicContact CE2-CG1 4.06Å; F328-V399 HydrophobicContact CZ-CG1 4.21Å; L344-V399 HydrophobicContact CD2-CB 3.96Å; L344-V399 HydrophobicContact CD2-CG1 4.06Å; L344-V399 HydrophobicContact CD2-CG2 4.19Å; V347-V399 HydrophobicContact CG1-CG1 3.84Å; I348-V399 HydrophobicContact CD1-CG2 4.5Å; I348-V399 HydrophobicContact CG1-CG1 3.82Å; I378-V399 HydrophobicContact CD1-CG2 3.73Å; P396-V399 PolarHBondContact O-N 3.49Å; Q397-V399 PolarHBondContact O-N 3.37Å; Q397-V399 VanDerWaalsContact O-N 3.15Å; V399-V403 VanDerWaalsContact O-CG2 3.27Å; V399-V403 WeakPolarHBondContact O-CG2 3.27Å; V399-V403 PolarHBondContact O-N 3.04Å
400Y91.8Very high89.3Confident5 Ų534.5 Ų34.52%0.0216%0.16CC..Hα-helixtrans-70.4-40.3-178.4-59.4-69.5000111.7V181 L183 S343 L344 V347 P396 Q397 V403 N404V181-Y400 HydrophobicContact CB-CD1 4.28Å; V181-Y400 HydrophobicContact CG1-CD1 3.59Å; V181-Y400 HydrophobicContact CG1-CE1 3.94Å; L183-Y400 HydrophobicContact CD1-CD1 3.54Å; L183-Y400 HydrophobicContact CD1-CD2 3.58Å; L183-Y400 HydrophobicContact CD1-CE1 3.75Å; L183-Y400 HydrophobicContact CD1-CE2 3.8Å; L183-Y400 HydrophobicContact CD1-CG 3.43Å; L183-Y400 VanDerWaalsContact CD1-CG 3.43Å; L183-Y400 HydrophobicContact CD2-CD2 4.3Å; L183-Y400 HydrophobicContact CD2-CE2 3.9Å; L183-Y400 HydrophobicContact CG-CE2 4.49Å; S343-Y400 WeakPolarHBondContact CB-OH 3.09Å; S343-Y400 PolarHBondContact OG-OH 3.49Å; L344-Y400 HydrophobicContact CD2-CE1 4.34Å; L344-Y400 HydrophobicContact CD2-CE2 3.73Å; V347-Y400 HydrophobicContact CG2-CD1 4.45Å; V347-Y400 HydrophobicContact CG2-CE1 4.07Å; P396-Y400 WeakPolarHBondContact O-CD2 3.46Å; Q397-Y400 PolarHBondContact O-N 2.88Å; Y400-V403 PolarHBondContact O-N 2.86Å; Y400-N404 PolarHBondContact O-N 3.49Å; Y400-N404 VanDerWaalsContact O-N 3.09Å; Y400-N404 PolarHBondContact O-ND2 2.85Å
401D90.6Very high89.4Confident14 Ų1431.6 Ų31.68%0.07514%0.144CC..Hα-helixtrans-70.1-38.8-179.9-68.8-11.4000111.3Q397 V403 N404 T405 L409 Y414 H423Q397-D401 VanDerWaalsContact CG-OD2 3.27Å; Q397-D401 WeakPolarHBondContact CG-OD2 3.11Å; Q397-D401 PolarHBondContact NE2-OD2 3Å; Q397-D401 PolarHBondContact O-N 2.98Å; D401-V403 VanDerWaalsContact C-N 3.26Å; D401-V403 PolarHBondContact O-N 3.27Å; D401-N404 PolarHBondContact O-N 3.44Å; D401-T405 WeakPolarHBondContact O-CB 3.28Å; D401-T405 VanDerWaalsContact O-CG2 3.25Å; D401-T405 WeakPolarHBondContact O-CG2 3.23Å; D401-T405 PolarHBondContact O-N 2.82Å; D401-T405 PolarHBondContact O-OG1 3.33Å; D401-L409 HydrophobicContact CB-CD1 3.56Å; D401-Y414 HydrophobicContact CB-CE1 4.5Å; D401-Y414 PolarHBondContact OD2-OH 3.18Å; D401-H423 IonicContact OD1-CE1 3.16Å; D401-H423 PolarHBondContact OD1-CE1 3.47Å; D401-H423 VanDerWaalsContact OD1-CE1 3.3Å; D401-H423 IonicContact OD1-CG 2.72Å; D401-H423 IonicContact OD1-ND1 3.82Å; D401-H423 PolarHBondContact OD1-ND1 3.38Å
402C90.4Very high89.4Confident0 Ų036.1 Ų36.10%017%0.166CC..Hα-helixtrans-57.8-38.6171.8-73.70000112.7F328 W398 T405 K406 M407 L409F328-C402 HydrophobicContact CE1-CB 4.27Å; F328-C402 HydrophobicContact CZ-CB 3.95Å; W398-C402 VanDerWaalsContact O-CB 3.31Å; W398-C402 WeakPolarHBondContact O-CB 3.16Å; W398-C402 PolarHBondContact O-N 3.29Å; W398-C402 PolarHBondContact O-SG 3.37Å; C402-T405 WeakPolarHBondContact CA-OG1 3.35Å; C402-T405 PolarHBondContact O-OG1 3.31Å; C402-K406 PolarHBondContact O-N 2.8Å; C402-K406 VanDerWaalsContact O-N 3.1Å; C402-M407 CarbonylContact C-O 3.59Å; C402-M407 VanDerWaalsContact CA-O 3.28Å; C402-M407 WeakPolarHBondContact CA-O 3.38Å; C402-M407 WeakPolarHBondContact CB-O 3.4Å; C402-M407 PolarHBondContact O-N 3.1Å; C402-M407 VanDerWaalsContact O-O 3.09Å; C402-L409 PolarHBondContact SG-N 2.93Å
403V89.4Confident89.3Confident0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-68.3-44.8179.3167.80000111.5V181 F328 V347 F351 V399 Y400 D401 K406V181-V403 HydrophobicContact CG2-CG1 3.93Å; F328-V403 HydrophobicContact CE2-CG2 4.08Å; F328-V403 HydrophobicContact CZ-CG2 4.44Å; V347-V403 HydrophobicContact CG1-CG2 3.71Å; F351-V403 HydrophobicContact CD2-CG1 4.48Å; F351-V403 HydrophobicContact CD2-CG2 3.5Å; F351-V403 HydrophobicContact CE2-CB 3.94Å; F351-V403 HydrophobicContact CE2-CG1 3.41Å; F351-V403 VanDerWaalsContact CE2-CG1 3.41Å; F351-V403 HydrophobicContact CE2-CG2 3.23Å; F351-V403 HydrophobicContact CG-CG2 4.44Å; F351-V403 HydrophobicContact CZ-CB 4.26Å; F351-V403 HydrophobicContact CZ-CG1 3.43Å; F351-V403 VanDerWaalsContact CZ-CG1 3.43Å; F351-V403 HydrophobicContact CZ-CG2 3.94Å; V399-V403 VanDerWaalsContact O-CG2 3.27Å; V399-V403 WeakPolarHBondContact O-CG2 3.27Å; V399-V403 PolarHBondContact O-N 3.04Å; Y400-V403 PolarHBondContact O-N 2.86Å; D401-V403 VanDerWaalsContact C-N 3.26Å; D401-V403 PolarHBondContact O-N 3.27Å; V403-K406 PolarHBondContact O-N 3.08Å
404N88.5Confident89.3Confident29 Ų2934.2 Ų34.216%0.15517%0.165CC..Hα-helixtrans-71.4-38.2-178.5-71.2-23.1000112.6V181 Y400 D401 K406 P426V181-N404 PolarHBondContact N-OD1 3.22Å; V181-N404 VanDerWaalsContact O-CG 3.26Å; V181-N404 PolarHBondContact O-ND2 2.98Å; V181-N404 PolarHBondContact O-OD1 3.41Å; Y400-N404 PolarHBondContact O-N 3.49Å; Y400-N404 VanDerWaalsContact O-N 3.09Å; Y400-N404 PolarHBondContact O-ND2 2.85Å; D401-N404 PolarHBondContact O-N 3.44Å; N404-K406 PolarHBondContact O-N 3.42Å; N404-P426 HydrophobicContact CB-CB 4.23Å
405T84.5Confident89.2Confident11 Ų1137.7 Ų37.77%0.06718%0.18CC..Hα-helixtrans-76.4-8175.559.50000113D401 C402 M407 L409 I443 Q447D401-T405 WeakPolarHBondContact O-CB 3.28Å; D401-T405 VanDerWaalsContact O-CG2 3.25Å; D401-T405 WeakPolarHBondContact O-CG2 3.23Å; D401-T405 PolarHBondContact O-N 2.82Å; D401-T405 PolarHBondContact O-OG1 3.33Å; C402-T405 WeakPolarHBondContact CA-OG1 3.35Å; C402-T405 PolarHBondContact O-OG1 3.31Å; T405-M407 PolarHBondContact O-N 3.15Å; T405-M407 VanDerWaalsContact O-N 3.14Å; T405-M407 PolarHBondContact OG1-O 2.95Å; T405-L409 HydrophobicContact CG2-CD1 4.11Å; T405-L409 HydrophobicContact CG2-CD2 4.16Å; T405-I443 HydrophobicContact CG2-CD1 3.94Å; T405-I443 HydrophobicContact CG2-CG1 4.23Å; T405-I443 HydrophobicContact CG2-CG2 3.52Å; T405-Q447 PolarHBondContact O-NE2 3.32Å
406K85.4Confident88.9Confident114 Ų11438.4 Ų38.450%0.49618%0.184SC..THydrogen-bonded Turntrans58.519.2-179.4-49.5-179.4-178.71740113.5Q324 C402 V403 N404Q324-K406 HydrophobicContact CG-CB 4.22Å; Q324-K406 HydrophobicContact CG-CG 4.31Å; C402-K406 PolarHBondContact O-N 2.8Å; C402-K406 VanDerWaalsContact O-N 3.1Å; V403-K406 PolarHBondContact O-N 3.08Å; N404-K406 PolarHBondContact O-N 3.42Å
407M85.5Confident88.4Confident44 Ų4440.6 Ų40.622%0.21721%0.21CC..SBendtrans-143.9159.9-179.267.6-177177.100110.6C402 T405 L409 I443 L446 Q447C402-M407 CarbonylContact C-O 3.59Å; C402-M407 VanDerWaalsContact CA-O 3.28Å; C402-M407 WeakPolarHBondContact CA-O 3.38Å; C402-M407 WeakPolarHBondContact CB-O 3.4Å; C402-M407 PolarHBondContact O-N 3.1Å; C402-M407 VanDerWaalsContact O-O 3.09Å; T405-M407 PolarHBondContact O-N 3.15Å; T405-M407 VanDerWaalsContact O-N 3.14Å; T405-M407 PolarHBondContact OG1-O 2.95Å; M407-L409 HydrophobicContact CE-CD2 3.68Å; M407-L409 HydrophobicContact CG-CD2 4.29Å; M407-L409 PolarHBondContact O-N 3.15Å; M407-I443 HydrophobicContact CE-CG2 4.21Å; M407-L446 HydrophobicContact CE-CB 3.62Å; M407-Q447 HydrophobicContact CE-CG 3.93Å; M407-Q447 HydrophobicContact SD-CG 3.78Å
408R86.6Confident88.1Confident134 Ų13442 Ų4251%0.50622%0.22SC..  trans-75.1115.7172.2-64.5-179.5-177.3-177.5-0.6108.3I327 E329I327-R408 HydrophobicContact CG2-CG 3.97Å; I327-R408 PolarHBondContact O-NE 3.23Å; I327-R408 PolarHBondContact O-NH2 3.26Å; E329-R408 PolarHBondContact O-NH2 2.95Å
409L87.3Confident87.7Confident12 Ų1248 Ų486%0.06326%0.258CS..  trans-78.5151.5176.5-66173.5000110.9W398 D401 C402 T405 M407 Y414W398-L409 PolarHBondContact NE1-O 2.81Å; D401-L409 HydrophobicContact CB-CD1 3.56Å; C402-L409 PolarHBondContact SG-N 2.93Å; T405-L409 HydrophobicContact CG2-CD1 4.11Å; T405-L409 HydrophobicContact CG2-CD2 4.16Å; M407-L409 HydrophobicContact CE-CD2 3.68Å; M407-L409 HydrophobicContact CG-CD2 4.29Å; M407-L409 PolarHBondContact O-N 3.15Å; L409-Y414 HydrophobicContact CB-CE2 4.44Å; L409-Y414 HydrophobicContact CD1-CE2 4.43Å
410P88.1Confident87.4Confident54 Ų5450.7 Ų50.735%0.35127%0.272SS..  trans-52.1139.2168.3-22.233.1000110.8E412 Y414P410-E412 WeakPolarHBondContact CA-OE2 3.47Å; P410-E412 WeakPolarHBondContact CB-OE2 3.47Å; P410-Y414 WeakPolarHBondContact O-CD2 3.43Å
411V88.6Confident87.1Confident17 Ų1752 Ų5210%0.10328%0.281CS..SBendtrans-84.2-18.1-176-690000112.1Y392 I394 W398 D413 Y414 F415Y392-V411 HydrophobicContact CD1-CG2 4.1Å; Y392-V411 HydrophobicContact CE1-CG2 4.38Å; I394-V411 HydrophobicContact CG2-CB 4.12Å; I394-V411 HydrophobicContact CG2-CG1 4.18Å; W398-V411 HydrophobicContact CZ2-CG1 3.99Å; V411-D413 VanDerWaalsContact C-N 3.32Å; V411-D413 PolarHBondContact O-N 2.86Å; V411-Y414 CarbonylContact O-C 3.56Å; V411-Y414 PolarHBondContact O-N 2.63Å; V411-Y414 VanDerWaalsContact O-N 3.07Å; V411-F415 HydrophobicContact CB-CE1 4.23Å; V411-F415 HydrophobicContact CB-CZ 4.5Å; V411-F415 HydrophobicContact CG2-CE1 4Å; V411-F415 HydrophobicContact CG2-CZ 3.86Å; V411-F415 PolarHBondContact O-N 2.95Å
412E88.5Confident86.9Confident109 Ų10954.9 Ų54.951%0.50930%0.3SS..G310 helixtrans-60.2-40.4-173.4-63.979.9-176.500112.4P410 Y414 F415P410-E412 WeakPolarHBondContact CA-OE2 3.47Å; P410-E412 WeakPolarHBondContact CB-OE2 3.47Å; E412-Y414 PolarHBondContact O-N 3.37Å; E412-F415 HydrophobicContact CB-CE2 4.25Å; E412-F415 HydrophobicContact CG-CE2 4.12Å
413D86.8Confident86.4Confident89 Ų8957.2 Ų57.248%0.47631%0.311SS..G310 helixtrans-72.5-9.1-179.3-59.5-29.1000113V411 P421V411-D413 VanDerWaalsContact C-N 3.32Å; V411-D413 PolarHBondContact O-N 2.86Å; D413-P421 HydrophobicContact CB-CG 4.31Å
414Y90.4Very high86.1Confident12 Ų1259.7 Ų59.75%0.04732%0.324CS..G310 helixtrans-122.413.3-174-59.7-96.3000113.1Q395 Q397 W398 D401 L409 P410 V411 E412 L420 P421Q395-Y414 PolarHBondContact N-O 3.26Å; Q397-Y414 HydrophobicContact CB-CD1 4.36Å; Q397-Y414 HydrophobicContact CB-CE1 4.38Å; Q397-Y414 HydrophobicContact CG-CE1 4.14Å; W398-Y414 HydrophobicContact CB-CD1 3.75Å; W398-Y414 HydrophobicContact CB-CD2 4.32Å; W398-Y414 HydrophobicContact CB-CE1 4.36Å; W398-Y414 HydrophobicContact CB-CG 3.72Å; W398-Y414 AromaticContact CD1-CD2 3.51Å; W398-Y414 AromaticContact CD1-CE2 3.98Å; W398-Y414 AromaticContact CD1-CG 3.78Å; W398-Y414 HydrophobicContact CG-CD2 4.31Å; W398-Y414 HydrophobicContact CG-CG 4.16Å; D401-Y414 HydrophobicContact CB-CE1 4.5Å; D401-Y414 PolarHBondContact OD2-OH 3.18Å; L409-Y414 HydrophobicContact CB-CE2 4.44Å; L409-Y414 HydrophobicContact CD1-CE2 4.43Å; P410-Y414 WeakPolarHBondContact O-CD2 3.43Å; V411-Y414 CarbonylContact O-C 3.56Å; V411-Y414 PolarHBondContact O-N 2.63Å; V411-Y414 VanDerWaalsContact O-N 3.07Å; E412-Y414 PolarHBondContact O-N 3.37Å; Y414-L420 HydrophobicContact CD1-CD2 3.5Å; Y414-L420 VanDerWaalsContact CD1-CD2 3.5Å; Y414-L420 HydrophobicContact CE1-CD2 4.16Å; Y414-L420 HydrophobicContact CG-CD2 4.26Å; Y414-P421 HydrophobicContact CE1-CG 4.33Å; Y414-P421 HydrophobicContact CE2-CG 4.4Å
415F89.1Confident85.9Confident72 Ų7260.1 Ų60.132%0.31633%0.329SS..BIsolated β-bridgetrans-66.2159.8174.4-75.1-36.1000112.2Y392 Y393 V411 E412 G417 V418Y392-F415 HydrophobicContact CD1-CE1 4.16Å; Y392-F415 HydrophobicContact CD1-CZ 4.33Å; Y393-F415 WeakPolarHBondContact O-CD1 3.33Å; V411-F415 HydrophobicContact CB-CE1 4.23Å; V411-F415 HydrophobicContact CB-CZ 4.5Å; V411-F415 HydrophobicContact CG2-CE1 4Å; V411-F415 HydrophobicContact CG2-CZ 3.86Å; V411-F415 PolarHBondContact O-N 2.95Å; E412-F415 HydrophobicContact CB-CE2 4.25Å; E412-F415 HydrophobicContact CG-CE2 4.12Å; F415-G417 PolarHBondContact O-N 3.16Å; F415-V418 HydrophobicContact CB-CG2 3.98Å; F415-V418 WeakPolarHBondContact O-CB 3.5Å; F415-V418 PolarHBondContact O-N 3.26Å
416L85.8Confident85.7Confident35 Ų3560.9 Ų60.918%0.18334%0.335CS..THydrogen-bonded Turntrans-58.4126.3179.8-56.1179.3000111.6V379 V384 Y393 Q395 V418V379-L416 HydrophobicContact CB-CD2 3.83Å; V379-L416 HydrophobicContact CG1-CD1 4.27Å; V379-L416 HydrophobicContact CG1-CD2 3.81Å; V384-L416 HydrophobicContact CG2-CD1 3.61Å; Y393-L416 HydrophobicContact CD1-CD1 4.39Å; Y393-L416 HydrophobicContact CG-CD1 4.3Å; Q395-L416 HydrophobicContact CG-CD2 4.26Å; L416-V418 VanDerWaalsContact C-N 3.3Å; L416-V418 PolarHBondContact O-N 3.41Å
417G81.4Confident85.4Confident63 Ų6358.4 Ų58.465%0.64932%0.324SS*.THydrogen-bonded Turntrans83.9-2.4176.900000114.9F415F415-G417 PolarHBondContact O-N 3.16Å
418V85.6Confident84.8Confident62 Ų6260.5 Ų60.538%0.37634%0.339SS..SBendtrans-77.3147.5171.2-178.20000109.7F415 L416 L420F415-V418 HydrophobicContact CB-CG2 3.98Å; F415-V418 WeakPolarHBondContact O-CB 3.5Å; F415-V418 PolarHBondContact O-N 3.26Å; L416-V418 VanDerWaalsContact C-N 3.3Å; L416-V418 PolarHBondContact O-N 3.41Å; V418-L420 PolarHBondContact O-N 3.15Å
419T84.7Confident83.7Confident131 Ų13161.9 Ų61.980%0.80435%0.351SS*.  trans-72.3112.2171.549.20000109.3
420L86.4Confident82.4Confident58 Ų5864.2 Ų64.230%0.30436%0.362SS..PPolyproline II helixtrans-61.5145.4-178.6-73.4167.7000112.5Q395 Q397 Y414 V418Q395-L420 HydrophobicContact CB-CD2 4.24Å; Q397-L420 HydrophobicContact CB-CD1 4.2Å; Q397-L420 HydrophobicContact CB-CD2 4.2Å; Q397-L420 VanDerWaalsContact OE1-CD1 3.25Å; Y414-L420 HydrophobicContact CD1-CD2 3.5Å; Y414-L420 VanDerWaalsContact CD1-CD2 3.5Å; Y414-L420 HydrophobicContact CE1-CD2 4.16Å; Y414-L420 HydrophobicContact CG-CD2 4.26Å; V418-L420 PolarHBondContact O-N 3.15Å
421P86.4Confident80.8Confident31 Ų3169.7 Ų69.720%0.20138%0.38CS..PPolyproline II helixtrans-57.8143.7163.8-22.634000111.3Q397 D413 Y414 H423Q397-P421 PolarHBondContact NE2-O 3.47Å; D413-P421 HydrophobicContact CB-CG 4.31Å; Y414-P421 HydrophobicContact CE1-CG 4.33Å; Y414-P421 HydrophobicContact CE2-CG 4.4Å; P421-H423 PolarHBondContact O-N 3.36Å
422P85.3Confident78.5Confident75 Ų7578.9 Ų78.949%0.48742%0.422SS..PPolyproline II helixtrans-46.5128.5164.9-30.926.3000114.7L424 E439P422-L424 PolarHBondContact O-N 2.82Å; P422-L424 VanDerWaalsContact O-N 3.16Å; P422-E439 VanDerWaalsContact CB-OE2 3.28Å; P422-E439 WeakPolarHBondContact CB-OE2 3.48Å; P422-E439 VanDerWaalsContact CD-CD 3.42Å; P422-E439 WeakPolarHBondContact CD-OE1 3.33Å; P422-E439 WeakPolarHBondContact CD-OE2 3.28Å; P422-E439 WeakPolarHBondContact CG-OE1 3.49Å; P422-E439 WeakPolarHBondContact CG-OE2 3.32Å
423H80.8Confident76.7Confident49 Ų4977.6 Ų77.623%0.22744%0.438CS..  trans-78.3100.5175.9-172.357.9000110.9F182 L183 D401 P421F182-H423 AromaticContact CD2-CD2 3.76Å; F182-H423 AromaticContact CD2-NE2 3.59Å; F182-H423 AromaticContact CE2-CD2 3.81Å; L183-H423 PolarHBondContact N-NE2 3.2Å; D401-H423 IonicContact OD1-CE1 3.16Å; D401-H423 PolarHBondContact OD1-CE1 3.47Å; D401-H423 VanDerWaalsContact OD1-CE1 3.3Å; D401-H423 IonicContact OD1-CG 2.72Å; D401-H423 IonicContact OD1-ND1 3.82Å; D401-H423 PolarHBondContact OD1-ND1 3.38Å; P421-H423 PolarHBondContact O-N 3.36Å
424L81.8Confident75.5Confident52 Ų5277.5 Ų77.527%0.27244%0.438SS..  trans-79.6140.9-178.1-64.8173000112.4P422 P426 P437 K440P422-L424 PolarHBondContact O-N 2.82Å; P422-L424 VanDerWaalsContact O-N 3.16Å; L424-P426 WeakPolarHBondContact O-CD 3.14Å; L424-P437 HydrophobicContact CD2-CB 4.35Å; L424-P437 HydrophobicContact CD2-CG 4.18Å; L424-K440 HydrophobicContact CD1-CB 3.84Å; L424-K440 HydrophobicContact CD1-CG 4.25Å
425S83.9Confident73.7Confident38 Ų3886 Ų8627%0.26647%0.471SS..  trans-73.2122.2175.9178.10000111F427S425-F427 PolarHBondContact O-N 2.97Å; S425-F427 PolarHBondContact OG-N 2.82Å
426P80.5Confident72.2Confident28 Ų2884.7 Ų84.718%0.18247%0.469CS..THydrogen-bonded Turntrans-78.5-0.3177.937.4-39.7000112.5K180 F182 N404 L424K180-P426 HydrophobicContact CB-CB 4.27Å; K180-P426 HydrophobicContact CB-CG 3.94Å; K180-P426 HydrophobicContact CD-CB 3.97Å; K180-P426 HydrophobicContact CD-CG 4.28Å; K180-P426 WeakPolarHBondContact CD-O 3.35Å; K180-P426 WeakPolarHBondContact CE-O 3.41Å; K180-P426 HydrophobicContact CG-CB 4.3Å; K180-P426 HydrophobicContact CG-CG 4.48Å; K180-P426 PolarHBondContact NZ-O 3.15Å; F182-P426 HydrophobicContact CB-CG 4.3Å; N404-P426 HydrophobicContact CB-CB 4.23Å; L424-P426 WeakPolarHBondContact O-CD 3.14Å
427F79.8Confident71.5Confident62 Ų6284.8 Ų84.827%0.27247%0.472SS..THydrogen-bonded Turntrans-95.6-10.1-177.3-64.5-77.2000113.8K180 F182 Q191 T200 S425 E429K180-F427 HydrophobicContact CB-CE1 4.29Å; K180-F427 HydrophobicContact CB-CZ 4.02Å; K180-F427 HydrophobicContact CD-CD1 4.27Å; K180-F427 HydrophobicContact CD-CE1 4.17Å; F182-F427 HydrophobicContact CB-CD2 3.99Å; F182-F427 HydrophobicContact CB-CE2 3.63Å; F182-F427 HydrophobicContact CG-CD2 4.48Å; Q191-F427 HydrophobicContact CB-CE1 3.86Å; Q191-F427 HydrophobicContact CB-CZ 4.01Å; Q191-F427 HydrophobicContact CG-CE1 4.38Å; T200-F427 HydrophobicContact CG2-CE1 3.92Å; T200-F427 HydrophobicContact CG2-CZ 4.1Å; S425-F427 PolarHBondContact O-N 2.97Å; S425-F427 PolarHBondContact OG-N 2.82Å; F427-E429 PolarHBondContact O-N 3.37Å
428V74Confident70.6Confident87 Ų8785.2 Ų85.253%0.52746%0.463SS..  trans-83.8109.8175.7-177.60000108.4
429E62.9Low69.6Low164 Ų16485 Ų8577%0.76646%0.458SS*.  trans-87.4107.3167.1-67.8178-17900107.2F427F427-E429 PolarHBondContact O-N 3.37Å
430E60.6Low68.6Low60 Ų6081 Ų8128%0.2843%0.429SS..  trans-69.5132.5179-73.9157.1-172.700109.4D434 K440E430-D434 HydrophobicContact CB-CB 4.4Å; E430-D434 HydrophobicContact CG-CB 4.4Å; E430-K440 WeakPolarHBondContact OE1-CD 3.47Å; E430-K440 IonicContact OE1-NZ 3.96Å; E430-K440 PolarHBondContact OE1-NZ 2.7Å; E430-K440 IonicContact OE2-NZ 3.3Å; E430-K440 PolarHBondContact OE2-NZ 3.45Å
431K52.8Low67.4Low169 Ų16982.6 Ų82.674%0.73544%0.438SS*.  trans-89.9157.1168.4-66.5175.6-177.4173.90108.8G433 D434K431-G433 PolarHBondContact O-N 3.14Å; K431-D434 PolarHBondContact N-OD2 3.47Å; K431-D434 PolarHBondContact O-N 3.39Å; K431-D434 VanDerWaalsContact O-N 3.11Å
432E41.5Very low66.3Low210 Ų21086.9 Ų86.998%0.98145%0.453SS*.THydrogen-bonded Turntrans-55.8112.8174.3-72.9179.6164.200109.6
433G50.6Low65.4Low83 Ų8385.4 Ų85.486%0.85644%0.441SS*.THydrogen-bonded Turntrans118.4-12.7-177.500000115.8K431K431-G433 PolarHBondContact O-N 3.14Å
434D61.2Low64.6Low87 Ų8785.9 Ų85.947%0.46544%0.444SS..SBendtrans-76.9140.2176.1-67.1-32.2000111.5E430 K431 V436E430-D434 HydrophobicContact CB-CB 4.4Å; E430-D434 HydrophobicContact CG-CB 4.4Å; K431-D434 PolarHBondContact N-OD2 3.47Å; K431-D434 PolarHBondContact O-N 3.39Å; K431-D434 VanDerWaalsContact O-N 3.11Å; D434-V436 PolarHBondContact O-N 3.47Å
435Y52Low63.8Low189 Ų18984.5 Ų84.574%0.74144%0.44SS*.  trans-60.8117.4176.3176.7-97.3000110.8P437Y435-P437 HydrophobicContact CE1-CG 4.48Å; Y435-P437 WeakPolarHBondContact O-CD 3.27Å
436V58.8Low62.9Low46 Ų4685.8 Ų85.828%0.27944%0.443SS..  trans-91.7115.8176.8-175.90000108.9D434 K440 L441D434-V436 PolarHBondContact O-N 3.47Å; V436-K440 HydrophobicContact CG1-CB 4.01Å; V436-K440 HydrophobicContact CG1-CD 4.16Å; V436-K440 HydrophobicContact CG1-CG 4.47Å; V436-L441 HydrophobicContact CB-CD2 4.45Å; V436-L441 HydrophobicContact CG1-CD2 3.84Å; V436-L441 HydrophobicContact CG1-CG 3.95Å
437P69.9Low62Low36 Ų3689.6 Ų89.623%0.23446%0.459CS..  trans-58.3141.8178.1-26.235.7000112.1L424 Y435 E439 K440 L441L424-P437 HydrophobicContact CD2-CB 4.35Å; L424-P437 HydrophobicContact CD2-CG 4.18Å; Y435-P437 HydrophobicContact CE1-CG 4.48Å; Y435-P437 WeakPolarHBondContact O-CD 3.27Å; P437-E439 PolarHBondContact O-N 3.16Å; P437-K440 WeakPolarHBondContact O-CB 3.4Å; P437-K440 PolarHBondContact O-N 2.69Å; P437-L441 PolarHBondContact O-N 3.23Å
438P62.7Low61.2Low72 Ų7295.1 Ų95.147%0.46848%0.478SS..Hα-helixtrans-59.7-24.2-175.122.2-33.3000113.7L441 K442P438-L441 WeakPolarHBondContact O-CB 3.22Å; P438-L441 PolarHBondContact O-N 3.26Å; P438-K442 WeakPolarHBondContact O-CG 3.22Å; P438-K442 PolarHBondContact O-N 3.04Å
439E65.1Low59.7Low57 Ų5794.2 Ų94.227%0.26649%0.486SS..Hα-helixtrans-75.8-32.9175.5-68.7172.1-17600113.1P422 P437 L441 K442 I443P422-E439 VanDerWaalsContact CB-OE2 3.28Å; P422-E439 WeakPolarHBondContact CB-OE2 3.48Å; P422-E439 VanDerWaalsContact CD-CD 3.42Å; P422-E439 WeakPolarHBondContact CD-OE1 3.33Å; P422-E439 WeakPolarHBondContact CD-OE2 3.28Å; P422-E439 WeakPolarHBondContact CG-OE1 3.49Å; P422-E439 WeakPolarHBondContact CG-OE2 3.32Å; P437-E439 PolarHBondContact O-N 3.16Å; E439-L441 VanDerWaalsContact C-N 3.26Å; E439-L441 PolarHBondContact O-N 3.38Å; E439-K442 PolarHBondContact O-N 2.91Å; E439-I443 VanDerWaalsContact O-CG1 3.31Å; E439-I443 WeakPolarHBondContact O-CG1 3.23Å; E439-I443 PolarHBondContact O-N 3.21Å
440K63.3Low58.7Low47 Ų4792.2 Ų92.220%0.20448%0.477CS..Hα-helixtrans-65.7-36.3171.1-156.3-177.3-172.8-1730110.1L424 E430 V436 P437 I443 M444L424-K440 HydrophobicContact CD1-CB 3.84Å; L424-K440 HydrophobicContact CD1-CG 4.25Å; E430-K440 WeakPolarHBondContact OE1-CD 3.47Å; E430-K440 IonicContact OE1-NZ 3.96Å; E430-K440 PolarHBondContact OE1-NZ 2.7Å; E430-K440 IonicContact OE2-NZ 3.3Å; E430-K440 PolarHBondContact OE2-NZ 3.45Å; V436-K440 HydrophobicContact CG1-CB 4.01Å; V436-K440 HydrophobicContact CG1-CD 4.16Å; V436-K440 HydrophobicContact CG1-CG 4.47Å; P437-K440 WeakPolarHBondContact O-CB 3.4Å; P437-K440 PolarHBondContact O-N 2.69Å; K440-I443 PolarHBondContact O-N 3.46Å; K440-M444 HydrophobicContact CD-CE 4.23Å; K440-M444 HydrophobicContact CG-CE 4.25Å; K440-M444 WeakPolarHBondContact O-CB 3.31Å; K440-M444 VanDerWaalsContact O-CG 3.29Å; K440-M444 WeakPolarHBondContact O-CG 3.44Å; K440-M444 PolarHBondContact O-N 3.48Å
441L61.6Low57.4Low92 Ų9298.7 Ų98.748%0.48250%0.504SS..Hα-helixtrans-63-44171.1-63.6174.5000111.7V436 P437 P438 E439 I443 M444 A445V436-L441 HydrophobicContact CB-CD2 4.45Å; V436-L441 HydrophobicContact CG1-CD2 3.84Å; V436-L441 HydrophobicContact CG1-CG 3.95Å; P437-L441 PolarHBondContact O-N 3.23Å; P438-L441 WeakPolarHBondContact O-CB 3.22Å; P438-L441 PolarHBondContact O-N 3.26Å; E439-L441 VanDerWaalsContact C-N 3.26Å; E439-L441 PolarHBondContact O-N 3.38Å; L441-I443 PolarHBondContact O-N 2.56Å; L441-M444 PolarHBondContact O-N 3.4Å; L441-A445 WeakPolarHBondContact O-CB 3.48Å; L441-A445 PolarHBondContact O-N 3.02Å
442K62.6Low56.6Low122 Ų12294.2 Ų94.253%0.5349%0.492SS..Hα-helixtrans-60.3-43.1174.3-71.7176.1-174.7176.40112.3P438 E439 A445 L446P438-K442 WeakPolarHBondContact O-CG 3.22Å; P438-K442 PolarHBondContact O-N 3.04Å; E439-K442 PolarHBondContact O-N 2.91Å; K442-A445 PolarHBondContact O-N 3.48Å; K442-L446 WeakPolarHBondContact O-CB 3.47Å; K442-L446 WeakPolarHBondContact O-CD1 3.4Å; K442-L446 WeakPolarHBondContact O-CG 3.21Å; K442-L446 PolarHBondContact O-N 3.44Å
443I67Low56.1Low44 Ų4488.3 Ų88.323%0.22648%0.479CS..Hα-helixtrans-65.3-42.4176.2-69.1165.8000111T405 M407 E439 K440 L441 L446 Q447T405-I443 HydrophobicContact CG2-CD1 3.94Å; T405-I443 HydrophobicContact CG2-CG1 4.23Å; T405-I443 HydrophobicContact CG2-CG2 3.52Å; M407-I443 HydrophobicContact CE-CG2 4.21Å; E439-I443 VanDerWaalsContact O-CG1 3.31Å; E439-I443 WeakPolarHBondContact O-CG1 3.23Å; E439-I443 PolarHBondContact O-N 3.21Å; K440-I443 PolarHBondContact O-N 3.46Å; L441-I443 PolarHBondContact O-N 2.56Å; I443-L446 PolarHBondContact O-N 3.23Å; I443-Q447 WeakPolarHBondContact O-CG 3.43Å; I443-Q447 PolarHBondContact O-N 2.97Å
444M63.8Low55.2Low59 Ų5993.7 Ų93.729%0.29148%0.482SS..Hα-helixtrans-66-36175.4-75.1-172.7-173.200112.4K440 L441 Q447 R448K440-M444 HydrophobicContact CD-CE 4.23Å; K440-M444 HydrophobicContact CG-CE 4.25Å; K440-M444 WeakPolarHBondContact O-CB 3.31Å; K440-M444 VanDerWaalsContact O-CG 3.29Å; K440-M444 WeakPolarHBondContact O-CG 3.44Å; K440-M444 PolarHBondContact O-N 3.48Å; L441-M444 PolarHBondContact O-N 3.4Å; M444-Q447 PolarHBondContact O-N 2.93Å; M444-R448 PolarHBondContact O-N 3.46Å
445A65.9Low53.7Low22 Ų2298.4 Ų98.418%0.18250%0.501CS..Hα-helixtrans-67.5-42.4174.900000111.3L441 K442 Q447 R448 G449 E450L441-A445 WeakPolarHBondContact O-CB 3.48Å; L441-A445 PolarHBondContact O-N 3.02Å; K442-A445 PolarHBondContact O-N 3.48Å; A445-Q447 PolarHBondContact O-N 3.47Å; A445-R448 CarbonylContact O-C 3.59Å; A445-R448 PolarHBondContact O-N 3.45Å; A445-R448 VanDerWaalsContact O-N 3.14Å; A445-G449 PolarHBondContact O-N 3.03Å; A445-E450 PolarHBondContact O-N 3.48Å
446L65Low52.5Low65 Ų6597.6 Ų97.634%0.3450%0.504SS..Hα-helixtrans-61.3-41.5172-79.8158.5000112M407 K442 I443 R448 G449M407-L446 HydrophobicContact CE-CB 3.62Å; K442-L446 WeakPolarHBondContact O-CB 3.47Å; K442-L446 WeakPolarHBondContact O-CD1 3.4Å; K442-L446 WeakPolarHBondContact O-CG 3.21Å; K442-L446 PolarHBondContact O-N 3.44Å; I443-L446 PolarHBondContact O-N 3.23Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 3.24Å; L446-G449 PolarHBondContact O-N 3.45Å; L446-G449 VanDerWaalsContact O-N 3.13Å
447Q60.9Low51.2Low108 Ų108103.4 Ų103.451%0.50553%0.534SS..Hα-helixtrans-65.4-29.8174.4-77.9-179.9-8.500112.9T405 M407 I443 M444 A445 G449T405-Q447 PolarHBondContact O-NE2 3.32Å; M407-Q447 HydrophobicContact CE-CG 3.93Å; M407-Q447 HydrophobicContact SD-CG 3.78Å; I443-Q447 WeakPolarHBondContact O-CG 3.43Å; I443-Q447 PolarHBondContact O-N 2.97Å; M444-Q447 PolarHBondContact O-N 2.93Å; A445-Q447 PolarHBondContact O-N 3.47Å; Q447-G449 VanDerWaalsContact C-N 3.33Å
448R62.2Low49.1Very low178 Ų178109.6 Ų109.667%0.67256%0.56SS**Hα-helixtrans-80.9-9.3173.3-78.6-175.8-112.6-173.2-4.3113.9M444 A445 L446M444-R448 PolarHBondContact O-N 3.46Å; A445-R448 CarbonylContact O-C 3.59Å; A445-R448 PolarHBondContact O-N 3.45Å; A445-R448 VanDerWaalsContact O-N 3.14Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 3.24Å
449G43.1Very low47.7Very low68 Ų68115.6 Ų115.670%0.70158%0.581SS**THydrogen-bonded Turntrans82.815.9179.700000114.7A445 L446 Q447A445-G449 PolarHBondContact O-N 3.03Å; L446-G449 PolarHBondContact O-N 3.45Å; L446-G449 VanDerWaalsContact O-N 3.13Å; Q447-G449 VanDerWaalsContact C-N 3.33Å
450E42.3Very low45.7Very low123 Ų123121.3 Ų121.358%0.57561%0.608SS**  trans-87.1134.1173.8-70.7174.817100109.8A445A445-E450 PolarHBondContact O-N 3.48Å
451K34Very low44Very low196 Ų196127 Ų12785%0.85264%0.641SS**  trans-67.6133.6171.2-75.3-178.7178.3178.10108.2A453K451-A453 PolarHBondContact O-N 3.38Å
452P34.6Very low42.3Very low75 Ų75131.8 Ų131.849%0.48766%0.661SS.*  trans-62.2115.117724.6-31.1000108.6Q454P452-Q454 PolarHBondContact O-N 2.97Å
453A31.4Very low40.6Very low86 Ų86135.2 Ų135.271%0.71168%0.679SS**  trans-62.5121.1166.400000107.2K451 Q455K451-A453 PolarHBondContact O-N 3.38Å; A453-Q455 VanDerWaalsContact C-N 3.33Å; A453-Q455 PolarHBondContact O-N 2.71Å
454Q32.2Very low38.5Very low196 Ų196142.1 Ų142.192%0.91671%0.71SS**  trans-63.199.9162.8-82.2165.4-38.200106.5P452 Q456P452-Q454 PolarHBondContact O-N 2.97Å; Q454-Q456 PolarHBondContact O-N 3.21Å
455Q29.3Very low36.7Very low185 Ų185148.7 Ų148.786%0.86474%0.74SS**  trans-75.1113.5166.6-85.6173.7-27.700107.3A453A453-Q455 VanDerWaalsContact C-N 3.33Å; A453-Q455 PolarHBondContact O-N 2.71Å
456Q26.4Very low34.8Very low172 Ų172156.2 Ų156.280%0.80477%0.771SS**  trans-58.2136.9161.4-80.7167.7-54.500108.4Q454 E458Q454-Q456 PolarHBondContact O-N 3.21Å; Q456-E458 PolarHBondContact O-N 3.18Å; Q456-E458 VanDerWaalsContact O-N 3.11Å
457D32.7Very low32.9Very low168 Ų168162.6 Ų162.690%0.89880%0.799SS**  trans-58.4107.7164.7-62.2-52.8000108.2
458E25.1Very low31.2Very low167 Ų167165.7 Ų165.778%0.7881%0.814SS**  trans-113.2111160.9-77.6-174.7163.800107.3Q456 E460Q456-E458 PolarHBondContact O-N 3.18Å; Q456-E458 VanDerWaalsContact O-N 3.11Å; E458-E460 PolarHBondContact O-N 3.19Å
459E33Very low29.5Very low197 Ų197164.5 Ų164.592%0.92182%0.816SS**  trans-58.2121.2163.8-63.9173.2153.100108.1
460E24Very low28.6Very low177 Ų177168.7 Ų168.783%0.82782%0.817SS**  trans-127.4117.9160.5-82.1-170.7156.100109.1E458E458-E460 PolarHBondContact O-N 3.19Å
461D27.7Very low27.8Very low166 Ų166169.5 Ų169.589%0.88883%0.825SS**  trans-57.1128.6167.4-68.9-57.2000110
462E26.2Very low27.4Very low193 Ų193167.7 Ų167.790%0.90282%0.82SS**  trans-103115.9166.5-77.1-175.1162.700109.5
463E25.1Very low27.1Very low195 Ų195170.9 Ų170.991%0.91183%0.833SS**  trans-66132170.7-67.3-179.7147.300110.3
464E23.8Very low26.9Very low189 Ų189176.2 Ų176.288%0.88384%0.843SS**  trans-75.3122.7172.5-69.5175.4156.500110.5
465E26Very low26.9Very low196 Ų196176.1 Ų176.192%0.91684%0.843SS**  trans-112.3118.4158-81.3-170.3161.600109.5
466E26.3Very low27.1Very low180 Ų180176.7 Ų176.784%0.84185%0.846SS**  trans-83133.8169.2-67.8176.6153.100110.5
467E25.3Very low27.5Very low200 Ų200177.2 Ų177.294%0.93585%0.848SS**  trans-146.5122.8142-83.6-164.1164.100110.4
468E25.1Very low27.7Very low173 Ų173175.9 Ų175.981%0.80884%0.841SS**  trans-72.7160.9171.2-52.9171.6138.800110
469E26.2Very low28.3Very low153 Ų153174.8 Ų174.872%0.71584%0.84SS**  cis-165.2152.944.2-87.4-17116000112.5
470E25.1Very low28.7Very low155 Ų155173.2 Ų173.272%0.72483%0.833SS**  trans58.5115.3139.5-62.8-178.4170.200123.9
471D24.7Very low29.6Very low140 Ų140171.9 Ų171.975%0.74983%0.827SS**  -178.4122.590.5-111.9-21.9000114.6
472E26.1Very low30.4Very low159 Ų159169.3 Ų169.374%0.74381%0.809SS**  trans44.7123.1144-66.1-172.2163.400125.7
473N26.6Very low31.3Very low142 Ų142162.4 Ų162.476%0.75979%0.785SS**  trans8796.1144.8-68.5-43.1000120.2
474E28.8Very low32.2Very low197 Ų197159.7 Ų159.792%0.92177%0.773SS**  trans-17679.5132.1-102.6172.8-164.400110.6
475E31.6Very low33.4Very low194 Ų194155.7 Ų155.791%0.90775%0.754SS**  trans-135.591.5172-75.4-171.4176.300111
476E32.4Very low34.7Very low198 Ų198152 Ų15293%0.92574%0.735SS**SBendtrans-15447.6158.7-75.6-160.5165.100111
477E34.9Very low35.9Very low183 Ų183148.3 Ų148.386%0.85572%0.721SS**SBendtrans-138.2-10.3166.9-77-166.4165.800115.8
478D37Very low37.1Very low139 Ų139144 Ų14474%0.74370%0.704SS**SBendtrans-95.4-8.3-174.9-86.3-21.6000116.3E480D478-E480 PolarHBondContact O-N 3.08Å
479D39.3Very low38.7Very low145 Ų145141 Ų14178%0.77569%0.688SS**Hα-helixtrans-80.2-12.4-176.6-106.2-14.3000114.3
480E39.8Very low40Very low163 Ų163140 Ų14076%0.76268%0.681SS**Hα-helixtrans-85-33.4-180-72.2-166.616000112.8D478 E484D478-E480 PolarHBondContact O-N 3.08Å; E480-E484 PolarHBondContact O-N 3.29Å
481E42.9Very low41.1Very low150 Ų150138.7 Ų138.770%0.70168%0.677SS**Hα-helixtrans-74.6-38.9-177.4-64.7-160.5163.500112.3A483 E484 E485E481-A483 VanDerWaalsContact C-N 3.28Å; E481-A483 PolarHBondContact O-N 3.09Å; E481-E484 PolarHBondContact O-N 3.07Å; E481-E485 PolarHBondContact O-N 3.05Å
482E45.4Very low42.2Very low111 Ų111138.9 Ų138.952%0.51967%0.673SS.*Hα-helixtrans-65.2-32.5175.9-113.7-150.9175.800112.6K486E482-K486 WeakPolarHBondContact O-CB 3.35Å; E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.25Å; E482-K486 VanDerWaalsContact O-N 3.14Å; E482-K486 IonicContact OE1-NZ 2.66Å; E482-K486 IonicContact OE2-NZ 2.74Å; E482-K486 PolarHBondContact OE2-NZ 3.5Å
483A44.1Very low43.2Very low48 Ų48137.1 Ų137.140%0.39767%0.665SS.*Hα-helixtrans-74.8-32.5177.900000112.5E481 N487E481-A483 VanDerWaalsContact C-N 3.28Å; E481-A483 PolarHBondContact O-N 3.09Å; A483-N487 WeakPolarHBondContact O-CB 3.49Å; A483-N487 PolarHBondContact O-N 2.84Å; A483-N487 PolarHBondContact O-ND2 2.83Å
484E45.8Very low44.1Very low139 Ų139137.4 Ų137.465%0.6566%0.662SS**Hα-helixtrans-72.2-38.9173.2-72.4-160158.900111.6E480 E481 N487 L488E480-E484 PolarHBondContact O-N 3.29Å; E481-E484 PolarHBondContact O-N 3.07Å; E484-N487 PolarHBondContact O-N 3.35Å; E484-L488 WeakPolarHBondContact O-CB 3.5Å; E484-L488 WeakPolarHBondContact O-CD1 3.03Å; E484-L488 WeakPolarHBondContact O-CG 3.49Å; E484-L488 PolarHBondContact O-N 3.36Å
485E48.2Very low44.8Very low104 Ų104138.5 Ų138.549%0.48666%0.657SS.*Hα-helixtrans-68.2-41179.9-140-152.3-171.400112.3E481 N487 L488 K489E481-E485 PolarHBondContact O-N 3.05Å; E485-N487 VanDerWaalsContact C-N 3.29Å; E485-N487 PolarHBondContact O-N 2.91Å; E485-L488 PolarHBondContact O-N 3.01Å; E485-K489 VanDerWaalsContact CD-NZ 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.93Å; E485-K489 IonicContact OE1-NZ 3.51Å; E485-K489 PolarHBondContact OE1-NZ 2.86Å; E485-K489 IonicContact OE2-NZ 3.43Å; E485-K489 PolarHBondContact OE2-NZ 3.38Å
486K54.1Low45.5Very low120 Ų120133.8 Ų133.852%0.52265%0.646SS.*Hα-helixtrans-65-31.6173.1-75.1167-177.8157.50112.1E482 K490E482-K486 WeakPolarHBondContact O-CB 3.35Å; E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.25Å; E482-K486 VanDerWaalsContact O-N 3.14Å; E482-K486 IonicContact OE1-NZ 2.66Å; E482-K486 IonicContact OE2-NZ 2.74Å; E482-K486 PolarHBondContact OE2-NZ 3.5Å; K486-K490 PolarHBondContact O-N 3.47Å
487N50.9Low46Very low101 Ų101132.1 Ų132.154%0.5464%0.638SS.*Hα-helixtrans-76.6-35175-86.5-51000112.9A483 E484 E485 M491A483-N487 WeakPolarHBondContact O-CB 3.49Å; A483-N487 PolarHBondContact O-N 2.84Å; A483-N487 PolarHBondContact O-ND2 2.83Å; E484-N487 PolarHBondContact O-N 3.35Å; E485-N487 VanDerWaalsContact C-N 3.29Å; E485-N487 PolarHBondContact O-N 2.91Å; N487-M491 WeakPolarHBondContact O-CB 2.77Å; N487-M491 PolarHBondContact O-N 3.23Å
488L50.3Low46.2Very low110 Ų110126.3 Ų126.358%0.57663%0.627SS**Hα-helixtrans-66.3-46.1173.8-81.5155.4000111.3E484 E485 K490 M491 E492E484-L488 WeakPolarHBondContact O-CB 3.5Å; E484-L488 WeakPolarHBondContact O-CD1 3.03Å; E484-L488 WeakPolarHBondContact O-CG 3.49Å; E484-L488 PolarHBondContact O-N 3.36Å; E485-L488 PolarHBondContact O-N 3.01Å; L488-K490 VanDerWaalsContact C-N 3.35Å; L488-K490 PolarHBondContact O-N 3.1Å; L488-M491 PolarHBondContact O-N 2.79Å; L488-M491 VanDerWaalsContact O-N 3.08Å; L488-E492 PolarHBondContact O-N 3.36Å
489K59.3Low46.3Very low109 Ų109128.8 Ų128.847%0.47463%0.631SS.*Hα-helixtrans-59.6-41.8175.3-74.1169.2179.41580112E485 M491 E492 E493E485-K489 VanDerWaalsContact CD-NZ 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.93Å; E485-K489 IonicContact OE1-NZ 3.51Å; E485-K489 PolarHBondContact OE1-NZ 2.86Å; E485-K489 IonicContact OE2-NZ 3.43Å; E485-K489 PolarHBondContact OE2-NZ 3.38Å; K489-M491 PolarHBondContact O-N 2.9Å; K489-E492 PolarHBondContact O-N 3.43Å; K489-E493 PolarHBondContact O-N 2.64Å
490K52.1Low46.2Very low134 Ų134127.5 Ų127.558%0.58363%0.633SS**Hα-helixtrans-64.6-35.2172.9-99.2176.6178.4165.90113.8K486 L488 Q494K486-K490 PolarHBondContact O-N 3.47Å; L488-K490 VanDerWaalsContact C-N 3.35Å; L488-K490 PolarHBondContact O-N 3.1Å; K490-Q494 WeakPolarHBondContact O-CB 3.31Å; K490-Q494 VanDerWaalsContact O-CG 3.29Å; K490-Q494 WeakPolarHBondContact O-CG 3.31Å; K490-Q494 PolarHBondContact O-N 3.19Å
491M47.9Very low46.2Very low127 Ų127127.4 Ų127.463%0.62664%0.637SS**Hα-helixtrans-73.2-31.6177.4-127-174.4-69.600111.6N487 L488 K489 R495N487-M491 WeakPolarHBondContact O-CB 2.77Å; N487-M491 PolarHBondContact O-N 3.23Å; L488-M491 PolarHBondContact O-N 2.79Å; L488-M491 VanDerWaalsContact O-N 3.08Å; K489-M491 PolarHBondContact O-N 2.9Å; M491-R495 WeakPolarHBondContact O-CB 3.37Å; M491-R495 PolarHBondContact O-N 2.62Å
492E48.6Very low45.9Very low143 Ų143128.3 Ų128.367%0.66864%0.642SS**Hα-helixtrans-75.1-41.2177.9-141.3172.6-166.300112.3L488 K489 Q494 R495 S496L488-E492 PolarHBondContact O-N 3.36Å; K489-E492 PolarHBondContact O-N 3.43Å; E492-Q494 VanDerWaalsContact C-N 3.34Å; E492-Q494 PolarHBondContact O-N 3.13Å; E492-R495 WeakPolarHBondContact O-CA 3.23Å; E492-R495 WeakPolarHBondContact O-CB 3.36Å; E492-R495 PolarHBondContact O-N 3.49Å; E492-S496 PolarHBondContact O-N 3.28Å; E492-S496 PolarHBondContact O-OG 2.95Å
493E46.6Very low45.5Very low123 Ų123129.3 Ų129.358%0.57566%0.655SS**Hα-helixtrans-64.1-35.4172.3-76.3-176.5154.200112.9K489 R495 S496 Q497K489-E493 PolarHBondContact O-N 2.64Å; E493-R495 VanDerWaalsContact C-N 3.25Å; E493-R495 PolarHBondContact O-N 3.47Å; E493-S496 WeakPolarHBondContact CA-OG 3.49Å; E493-S496 PolarHBondContact O-OG 3.13Å; E493-S496 VanDerWaalsContact O-OG 3.06Å; E493-Q497 WeakPolarHBondContact O-CG 3.31Å; E493-Q497 PolarHBondContact O-N 2.71Å
494Q45.7Very low45.5Very low148 Ų148135 Ų13569%0.69267%0.671SS**Hα-helixtrans-71.6-21.8173.3-74.4-179.814.200112.7K490 E492K490-Q494 WeakPolarHBondContact O-CB 3.31Å; K490-Q494 VanDerWaalsContact O-CG 3.29Å; K490-Q494 WeakPolarHBondContact O-CG 3.31Å; K490-Q494 PolarHBondContact O-N 3.19Å; E492-Q494 VanDerWaalsContact C-N 3.34Å; E492-Q494 PolarHBondContact O-N 3.13Å
495R44.3Very low45.2Very low220 Ų220135.2 Ų135.283%0.8368%0.681SS**Hα-helixtrans-84.9-31177-143.3173.5174.4-169.3-3.9112M491 E492 E493M491-R495 WeakPolarHBondContact O-CB 3.37Å; M491-R495 PolarHBondContact O-N 2.62Å; E492-R495 WeakPolarHBondContact O-CA 3.23Å; E492-R495 WeakPolarHBondContact O-CB 3.36Å; E492-R495 PolarHBondContact O-N 3.49Å; E493-R495 VanDerWaalsContact C-N 3.25Å; E493-R495 PolarHBondContact O-N 3.47Å
496S45.8Very low45.7Very low95 Ų95135.5 Ų135.566%0.66469%0.69SS**Hα-helixtrans-79.7-20.6178.166.50000113.9E492 E493 G498E492-S496 PolarHBondContact O-N 3.28Å; E492-S496 PolarHBondContact O-OG 2.95Å; E493-S496 WeakPolarHBondContact CA-OG 3.49Å; E493-S496 PolarHBondContact O-OG 3.13Å; E493-S496 VanDerWaalsContact O-OG 3.06Å; S496-G498 PolarHBondContact O-N 2.97Å
497Q43.1Very low45.4Very low163 Ų163135.8 Ų135.876%0.76270%0.704SS**THydrogen-bonded Turntrans-80.79.9172.9-69.1-177.17.500114.5E493 K499E493-Q497 WeakPolarHBondContact O-CG 3.31Å; E493-Q497 PolarHBondContact O-N 2.71Å; Q497-K499 PolarHBondContact O-N 3.37Å
498G39.2Very low44.9Very low61 Ų61134.6 Ų134.663%0.62972%0.716SS**SBendtrans-82.783.4171.600000112.9S496S496-G498 PolarHBondContact O-N 2.97Å
499K40Very low45Very low191 Ų191139.1 Ų139.183%0.8373%0.731SS**  trans33.1105.9162-73.5179.1177.3176.60116.8Q497 L501Q497-K499 PolarHBondContact O-N 3.37Å; K499-L501 PolarHBondContact O-N 2.91Å
500S36.4Very low44.9Very low117 Ų117140.8 Ų140.882%0.81875%0.75SS**  trans-51.7108.5157.251.50000110.6Q502S500-Q502 PolarHBondContact O-N 3.26Å; S500-Q502 VanDerWaalsContact O-N 3.12Å
501L39.6Very low44.9Very low161 Ų161143.5 Ų143.584%0.84376%0.762SS**  trans-74.997.7170.1-80161.1000107.8K499 V503K499-L501 PolarHBondContact O-N 2.91Å; L501-V503 PolarHBondContact O-N 3.21Å
502Q35.5Very low45.4Very low170 Ų170142 Ų14279%0.79477%0.77SS**  trans-61.8107.7162.7-77.8-178.5-600108.7S500 K504S500-Q502 PolarHBondContact O-N 3.26Å; S500-Q502 VanDerWaalsContact O-N 3.12Å; Q502-K504 PolarHBondContact O-N 2.97Å
503V38.8Very low45.8Very low131 Ų131142.6 Ų142.679%0.79477%0.772SS**  trans-72.691.2172.4-178.10000108.4L501L501-V503 PolarHBondContact O-N 3.21Å
504K42.7Very low46.5Very low169 Ų169143 Ų14374%0.73578%0.778SS**  trans-102.5115.2157.3-88.8-178.8175.6175.40108.1Q502 T506Q502-K504 PolarHBondContact O-N 2.97Å; K504-T506 PolarHBondContact O-N 3.02Å; K504-T506 VanDerWaalsContact O-N 3.07Å
505V39.6Very low47.5Very low142 Ų142145.3 Ų145.386%0.86178%0.781SS**  trans-63.9110.1172.6-176.30000107.8
506T58.6Low48.8Very low110 Ų110138.1 Ų138.168%0.67577%0.768SS**  trans-107.9141.7170.742.40000108.5K504 G508K504-T506 PolarHBondContact O-N 3.02Å; K504-T506 VanDerWaalsContact O-N 3.07Å; T506-G508 PolarHBondContact O-N 2.94Å
507P48.2Very low50Low127 Ų127141.4 Ų141.483%0.82577%0.766SS**PPolyproline II helixtrans-61.4128.8178.624.1-31.2000109.6K509P507-K509 PolarHBondContact O-N 2.94Å
508G40.4Very low51.3Low76 Ų76136.7 Ų136.778%0.78475%0.746SS**PPolyproline II helixtrans-58125.7-167.500000113.5T506T506-G508 PolarHBondContact O-N 2.94Å
509K53.4Low53Low205 Ų205137.6 Ų137.689%0.89173%0.734SS**PPolyproline II helixtrans-79.1124163.7-85.3-178.5174.5178.20109.2P507 K511P507-K509 PolarHBondContact O-N 2.94Å; K509-K511 PolarHBondContact O-N 3.36Å
510V55.9Low54.5Low143 Ų143135 Ų13587%0.86773%0.725SS**PPolyproline II helixtrans-58.4122.9172.2-174.70000108.7A512V510-A512 PolarHBondContact O-N 3.43Å; V510-A512 VanDerWaalsContact O-N 3.09Å
511K53Low56.2Low192 Ų192133.7 Ų133.784%0.83571%0.705SS**  trans-64109.8173.5-81.3-178.5177.2174.60108.1K509 E513K509-K511 PolarHBondContact O-N 3.36Å; K511-E513 PolarHBondContact O-N 2.9Å; K511-E513 VanDerWaalsContact O-N 3.13Å
512A59Low57.9Low96 Ų96131.3 Ų131.379%0.79369%0.69SS**  trans-68.5107.1163.400000107.6V510 N514V510-A512 PolarHBondContact O-N 3.43Å; V510-A512 VanDerWaalsContact O-N 3.09Å; A512-N514 PolarHBondContact O-N 2.91Å
513E55.6Low59.8Low154 Ų154128.5 Ų128.572%0.7268%0.675SS**  trans-63.9118.5175.6-77-178.7166.500109.9K511 R515 L518K511-E513 PolarHBondContact O-N 2.9Å; K511-E513 VanDerWaalsContact O-N 3.13Å; E513-R515 PolarHBondContact O-N 3.43Å; E513-L518 HydrophobicContact CB-CD1 3.71Å; E513-L518 HydrophobicContact CG-CD1 4.04Å
514N62.6Low61.4Low131 Ų131124.5 Ų124.570%0.70166%0.656SS**  trans-69.196172.1-95.1-38000108.6A512 A516 R517 L518A512-N514 PolarHBondContact O-N 2.91Å; N514-A516 PolarHBondContact O-N 3.28Å; N514-R517 HydrophobicContact CB-CB 4.37Å; N514-R517 PolarHBondContact O-N 3.12Å; N514-L518 PolarHBondContact O-N 3.09Å
515R66.4Low62.8Low198 Ų198122.3 Ų122.375%0.74765%0.648SS**Hα-helixtrans-48.3-35.8-178.8-164.8172.6179167.33.1113.7E513 R517 L518 E519E513-R515 PolarHBondContact O-N 3.43Å; R515-R517 VanDerWaalsContact C-N 3.31Å; R515-R517 PolarHBondContact O-N 3.17Å; R515-L518 PolarHBondContact O-N 2.88Å; R515-E519 WeakPolarHBondContact O-CG 3.48Å; R515-E519 PolarHBondContact O-N 3.38Å
516A71.4Confident64.5Low69 Ų69121.8 Ų121.857%0.5764%0.636SS**Hα-helixtrans-66.7-27.917800000114.3N514 Q520N514-A516 PolarHBondContact O-N 3.28Å; A516-Q520 VanDerWaalsContact O-CG 3.29Å; A516-Q520 WeakPolarHBondContact O-CG 3.26Å; A516-Q520 PolarHBondContact O-N 3.43Å
517R69.9Low65.3Low163 Ų163123.4 Ų123.462%0.61563%0.634SS**Hα-helixtrans-83.5-39.2179.1-172179.2158.7-179.2-3.9111.2N514 R515 Q520 E521N514-R517 HydrophobicContact CB-CB 4.37Å; N514-R517 PolarHBondContact O-N 3.12Å; R515-R517 VanDerWaalsContact C-N 3.31Å; R515-R517 PolarHBondContact O-N 3.17Å; R517-Q520 WeakPolarHBondContact O-CB 3.46Å; R517-Q520 PolarHBondContact O-N 3.29Å; R517-E521 IonicContact CZ-OE1 2.65Å; R517-E521 IonicContact NE-OE1 3.49Å; R517-E521 PolarHBondContact NE-OE1 2.96Å; R517-E521 VanDerWaalsContact NE-OE1 3.07Å; R517-E521 IonicContact NH2-OE1 3.74Å; R517-E521 PolarHBondContact NH2-OE1 3.42Å; R517-E521 WeakPolarHBondContact O-CG 3.44Å; R517-E521 PolarHBondContact O-N 3.05Å
518L70.9Confident66.4Low64 Ų64126 Ų12634%0.33563%0.627SS.*Hα-helixtrans-60.2-46.7171.5-89.4152.1000111.5E513 N514 R515 Q520 E521 E522E513-L518 HydrophobicContact CB-CD1 3.71Å; E513-L518 HydrophobicContact CG-CD1 4.04Å; N514-L518 PolarHBondContact O-N 3.09Å; R515-L518 PolarHBondContact O-N 2.88Å; L518-Q520 PolarHBondContact O-N 2.81Å; L518-E521 PolarHBondContact O-N 3.25Å; L518-E521 VanDerWaalsContact O-N 3.11Å; L518-E522 WeakPolarHBondContact O-CG 3.46Å; L518-E522 PolarHBondContact O-N 3.27Å
519E75.9Confident68.2Low80 Ų80127 Ų12737%0.37461%0.614SS.*Hα-helixtrans-62.2-29.3175.8-77.9-178.7-162.100113.1R515 K523R515-E519 WeakPolarHBondContact O-CG 3.48Å; R515-E519 PolarHBondContact O-N 3.38Å; E519-K523 VanDerWaalsContact O-CB 3.29Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CD 3.09Å; E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 3.44Å; E519-K523 VanDerWaalsContact O-N 3.12Å; E519-K523 IonicContact OE2-NZ 2.7Å
520Q71.3Confident69.3Low138 Ų138119.7 Ų119.765%0.64559%0.592SS**Hα-helixtrans-75.1-37.8174.7-78.1178.48.200112.2A516 R517 L518 A524A516-Q520 VanDerWaalsContact O-CG 3.29Å; A516-Q520 WeakPolarHBondContact O-CG 3.26Å; A516-Q520 PolarHBondContact O-N 3.43Å; R517-Q520 WeakPolarHBondContact O-CB 3.46Å; R517-Q520 PolarHBondContact O-N 3.29Å; L518-Q520 PolarHBondContact O-N 2.81Å; Q520-A524 VanDerWaalsContact O-CB 3.31Å; Q520-A524 WeakPolarHBondContact O-CB 3.46Å; Q520-A524 PolarHBondContact O-N 2.8Å
521E72.5Confident70.4Confident88 Ų88114.8 Ų114.841%0.41156%0.561SS.*Hα-helixtrans-68.1-45.5176.1-74.6171.6-174.300110.4R517 L518 K523 A524 E525R517-E521 IonicContact CZ-OE1 2.65Å; R517-E521 IonicContact NE-OE1 3.49Å; R517-E521 PolarHBondContact NE-OE1 2.96Å; R517-E521 VanDerWaalsContact NE-OE1 3.07Å; R517-E521 IonicContact NH2-OE1 3.74Å; R517-E521 PolarHBondContact NH2-OE1 3.42Å; R517-E521 WeakPolarHBondContact O-CG 3.44Å; R517-E521 PolarHBondContact O-N 3.05Å; L518-E521 PolarHBondContact O-N 3.25Å; L518-E521 VanDerWaalsContact O-N 3.11Å; E521-K523 PolarHBondContact O-N 3.36Å; E521-A524 WeakPolarHBondContact O-CA 3.31Å; E521-A524 WeakPolarHBondContact O-CB 3.19Å; E521-A524 PolarHBondContact O-N 3.27Å; E521-E525 WeakPolarHBondContact O-CG 3.33Å; E521-E525 PolarHBondContact O-N 3.01Å
522E75.2Confident71.4Confident111 Ų111112.8 Ų112.852%0.51956%0.556SS.*Hα-helixtrans-58.6-49.5173.6-73.6-179.3164.700111.8L518 A524 E525 E526L518-E522 WeakPolarHBondContact O-CG 3.46Å; L518-E522 PolarHBondContact O-N 3.27Å; E522-A524 PolarHBondContact O-N 2.82Å; E522-E525 PolarHBondContact O-N 2.94Å; E522-E525 VanDerWaalsContact O-N 3.12Å; E522-E526 WeakPolarHBondContact O-CG 3.41Å; E522-E526 PolarHBondContact O-N 3.5Å
523K74.3Confident72.2Confident111 Ų111115.8 Ų115.848%0.48356%0.556SS.*Hα-helixtrans-63.4-26.1176.5-74.5170.6-174.1162.20112.8E519 E521 K527E519-K523 VanDerWaalsContact O-CB 3.29Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CD 3.09Å; E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 3.44Å; E519-K523 VanDerWaalsContact O-N 3.12Å; E519-K523 IonicContact OE2-NZ 2.7Å; E521-K523 PolarHBondContact O-N 3.36Å; K523-K527 WeakPolarHBondContact O-CD 3.35Å; K523-K527 VanDerWaalsContact O-CG 3.24Å; K523-K527 WeakPolarHBondContact O-CG 3.34Å; K523-K527 PolarHBondContact O-N 2.89Å
524A72.6Confident73.5Confident47 Ų47111.7 Ų111.739%0.38854%0.538SS..Hα-helixtrans-77.6-37.6175.100000111.6Q520 E521 E522 R528Q520-A524 VanDerWaalsContact O-CB 3.31Å; Q520-A524 WeakPolarHBondContact O-CB 3.46Å; Q520-A524 PolarHBondContact O-N 2.8Å; E521-A524 WeakPolarHBondContact O-CA 3.31Å; E521-A524 WeakPolarHBondContact O-CB 3.19Å; E521-A524 PolarHBondContact O-N 3.27Å; E522-A524 PolarHBondContact O-N 2.82Å; A524-R528 WeakPolarHBondContact O-CG 3.45Å; A524-R528 PolarHBondContact O-N 3.1Å; A524-R528 VanDerWaalsContact O-N 3.1Å
525E73.2Confident74.5Confident123 Ų123112.8 Ų112.858%0.57554%0.536SS*.Hα-helixtrans-68.2-44.2174.8-72.2-170.8169.400112.1E521 E522 K527 R528 L529E521-E525 WeakPolarHBondContact O-CG 3.33Å; E521-E525 PolarHBondContact O-N 3.01Å; E522-E525 PolarHBondContact O-N 2.94Å; E522-E525 VanDerWaalsContact O-N 3.12Å; E525-K527 VanDerWaalsContact C-N 3.3Å; E525-K527 PolarHBondContact O-N 3.31Å; E525-R528 WeakPolarHBondContact O-CB 3.36Å; E525-R528 PolarHBondContact O-N 3.12Å; E525-L529 PolarHBondContact O-N 3.49Å
526E74Confident74.9Confident131 Ų131112.5 Ų112.561%0.61254%0.54SS*.Hα-helixtrans-57-43.2174.1-74.7-177.2161.800111.8E522 R528 L529 A530E522-E526 WeakPolarHBondContact O-CG 3.41Å; E522-E526 PolarHBondContact O-N 3.5Å; E526-R528 VanDerWaalsContact C-N 3.34Å; E526-R528 PolarHBondContact O-N 3.18Å; E526-L529 PolarHBondContact O-N 3.39Å; E526-A530 WeakPolarHBondContact O-CB 3.43Å; E526-A530 PolarHBondContact O-N 3.37Å
527K75.6Confident75.3Confident145 Ų145118.2 Ų118.263%0.6355%0.552SS**Hα-helixtrans-64.8-37.3175.7-75.1172.2-173.5171.80112.1K523 E525 I531K523-K527 WeakPolarHBondContact O-CD 3.35Å; K523-K527 VanDerWaalsContact O-CG 3.24Å; K523-K527 WeakPolarHBondContact O-CG 3.34Å; K523-K527 PolarHBondContact O-N 2.89Å; E525-K527 VanDerWaalsContact C-N 3.3Å; E525-K527 PolarHBondContact O-N 3.31Å; K527-I531 WeakPolarHBondContact O-CD1 3.44Å; K527-I531 WeakPolarHBondContact O-CG1 3.36Å; K527-I531 PolarHBondContact O-N 3.49Å; K527-I531 VanDerWaalsContact O-N 3.08Å
528R72.3Confident75.5Confident180 Ų180115.4 Ų115.468%0.67955%0.546SS*.Hα-helixtrans-67.5-43.8176.2-76.5176.2177.5-172.21.5111.5A524 E525 E526 I531 M532A524-R528 WeakPolarHBondContact O-CG 3.45Å; A524-R528 PolarHBondContact O-N 3.1Å; A524-R528 VanDerWaalsContact O-N 3.1Å; E525-R528 WeakPolarHBondContact O-CB 3.36Å; E525-R528 PolarHBondContact O-N 3.12Å; E526-R528 VanDerWaalsContact C-N 3.34Å; E526-R528 PolarHBondContact O-N 3.18Å; R528-I531 PolarHBondContact O-N 3.27Å; R528-M532 WeakPolarHBondContact O-CG 3.47Å; R528-M532 PolarHBondContact O-N 3.17Å
529L76.8Confident76.1Confident97 Ų97116 Ų11651%0.50855%0.546SS..Hα-helixtrans-60.1-44.8174.7-86.1151.2000111.2E525 E526 I531 M532 M533E525-L529 PolarHBondContact O-N 3.49Å; E526-L529 PolarHBondContact O-N 3.39Å; L529-I531 VanDerWaalsContact C-N 3.35Å; L529-I531 PolarHBondContact O-N 3.37Å; L529-M532 PolarHBondContact O-N 2.92Å; L529-M532 VanDerWaalsContact O-N 3.11Å; L529-M533 WeakPolarHBondContact O-CG 3.39Å; L529-M533 PolarHBondContact O-N 3.35Å
530A76.4Confident76.2Confident52 Ų52120.1 Ų120.143%0.4356%0.559SS.*Hα-helixtrans-59.9-41.6175.500000112.5E526 M532 M533 M534E526-A530 WeakPolarHBondContact O-CB 3.43Å; E526-A530 PolarHBondContact O-N 3.37Å; A530-M532 VanDerWaalsContact C-N 3.32Å; A530-M532 PolarHBondContact O-N 3.1Å; A530-M533 PolarHBondContact O-N 3.34Å; A530-M534 WeakPolarHBondContact O-CG 3.43Å; A530-M534 PolarHBondContact O-N 3.29Å
531I78.9Confident76.8Confident41 Ų41118.6 Ų118.621%0.2156%0.555CS.*Hα-helixtrans-66.9-32176-66.7162.1000111.9K527 R528 L529 Y542K527-I531 WeakPolarHBondContact O-CD1 3.44Å; K527-I531 WeakPolarHBondContact O-CG1 3.36Å; K527-I531 PolarHBondContact O-N 3.49Å; K527-I531 VanDerWaalsContact O-N 3.08Å; R528-I531 PolarHBondContact O-N 3.27Å; L529-I531 VanDerWaalsContact C-N 3.35Å; L529-I531 PolarHBondContact O-N 3.37Å; I531-Y542 HydrophobicContact CD1-CE1 3.68Å; I531-Y542 HydrophobicContact CG1-CD1 4.4Å; I531-Y542 HydrophobicContact CG1-CE1 3.77Å
532M74.3Confident77.4Confident150 Ų150118.1 Ų118.174%0.73955%0.55SS*.Hα-helixtrans-72.4-30.8175.9-72-160.2-176.600112.9R528 L529 A530R528-M532 WeakPolarHBondContact O-CG 3.47Å; R528-M532 PolarHBondContact O-N 3.17Å; L529-M532 PolarHBondContact O-N 2.92Å; L529-M532 VanDerWaalsContact O-N 3.11Å; A530-M532 VanDerWaalsContact C-N 3.32Å; A530-M532 PolarHBondContact O-N 3.1Å
533M77Confident77.7Confident159 Ų159116.5 Ų116.578%0.78355%0.545SS*.Hα-helixtrans-85.1-7.8-179.8-65.3-152.1-177.200114.7L529 A530L529-M533 WeakPolarHBondContact O-CG 3.39Å; L529-M533 PolarHBondContact O-N 3.35Å; A530-M533 PolarHBondContact O-N 3.34Å
534M82.1Confident78.3Confident68 Ų68117.9 Ų117.934%0.33555%0.551SS.*SBendtrans-68.2143.1175.9-74.6177.5-174.900112.4A530 K539 Y542A530-M534 WeakPolarHBondContact O-CG 3.43Å; A530-M534 PolarHBondContact O-N 3.29Å; M534-K539 HydrophobicContact CB-CB 4.3Å; M534-Y542 HydrophobicContact SD-CG 4.44Å
535K82.5Confident78.8Confident153 Ų153119.9 Ų119.967%0.66555%0.554SS**  trans-64.4147.7174.3-67.6175.1-177.8168.90109.8K537 E538 K539K535-K537 PolarHBondContact O-N 3.37Å; K535-E538 PolarHBondContact N-OE2 3.23Å; K535-E538 WeakPolarHBondContact O-CB 3.37Å; K535-E538 PolarHBondContact O-N 3.27Å; K535-K539 PolarHBondContact O-N 3.1Å
536K76.2Confident79.3Confident192 Ų192117 Ų11784%0.83554%0.541SS*.Hα-helixtrans-54.1-33-170.1-159.9173.9-176.2176.90114.9Y540K536-Y540 PolarHBondContact O-N 3.09Å
537K78.6Confident79.7Confident190 Ų190117 Ų11783%0.82654%0.54SS*.Hα-helixtrans-73.7-38.8176.4-69.3-173.9178.4-178.40112.8K535 L541K535-K537 PolarHBondContact O-N 3.37Å; K537-L541 PolarHBondContact O-N 3.16Å
538E75.9Confident80.2Confident104 Ų104111.7 Ų111.749%0.48653%0.525SS..Hα-helixtrans-71.5-39.7178.6-67.2159.4-171.700110.8K535 Y540 L541 Y542K535-E538 PolarHBondContact N-OE2 3.23Å; K535-E538 WeakPolarHBondContact O-CB 3.37Å; K535-E538 PolarHBondContact O-N 3.27Å; E538-Y540 VanDerWaalsContact C-N 3.33Å; E538-Y540 PolarHBondContact O-N 3.25Å; E538-L541 PolarHBondContact O-N 3.45Å; E538-Y542 WeakPolarHBondContact O-CB 3.39Å; E538-Y542 PolarHBondContact O-N 3.14Å
539K82.6Confident80.6Confident77 Ų77108.9 Ų108.934%0.33552%0.518SS..Hα-helixtrans-58.1-44173.6-171.3172.3-177.3170.30112.1M534 K535 L541 Y542 D543M534-K539 HydrophobicContact CB-CB 4.3Å; K535-K539 PolarHBondContact O-N 3.1Å; K539-L541 PolarHBondContact O-N 2.92Å; K539-Y542 PolarHBondContact O-N 3.03Å; K539-D543 WeakPolarHBondContact O-CB 3.28Å; K539-D543 VanDerWaalsContact O-CG 3.24Å; K539-D543 PolarHBondContact O-N 3.12Å
540Y78.4Confident80.8Confident166 Ų166110.1 Ų110.165%0.65152%0.519SS*.Hα-helixtrans-63.8-39.9176.8-177.9-101.1000112.8K536 E538 K544K536-Y540 PolarHBondContact O-N 3.09Å; E538-Y540 VanDerWaalsContact C-N 3.33Å; E538-Y540 PolarHBondContact O-N 3.25Å; Y540-K544 WeakPolarHBondContact O-CB 3.38Å; Y540-K544 PolarHBondContact O-N 3.45Å; Y540-K544 VanDerWaalsContact O-N 3.09Å
541L83.8Confident81.1Confident105 Ų105114.9 Ų114.955%0.5553%0.526SS..Hα-helixtrans-66.4-43.7175.3-176.466.2000111.5K537 E538 K539 K544 I545K537-L541 PolarHBondContact O-N 3.16Å; E538-L541 PolarHBondContact O-N 3.45Å; K539-L541 PolarHBondContact O-N 2.92Å; L541-K544 PolarHBondContact O-N 3.08Å; L541-I545 HydrophobicContact CG-CD1 4.11Å; L541-I545 WeakPolarHBondContact O-CG1 3.35Å; L541-I545 PolarHBondContact O-N 3.48Å
542Y84.3Confident81.2Confident78 Ų78119.5 Ų119.531%0.30655%0.547SS..Hα-helixtrans-58.7-47.1175.4177.6-94.9000111.6I531 M534 E538 K539 K544 I545 M546I531-Y542 HydrophobicContact CD1-CE1 3.68Å; I531-Y542 HydrophobicContact CG1-CD1 4.4Å; I531-Y542 HydrophobicContact CG1-CE1 3.77Å; M534-Y542 HydrophobicContact SD-CG 4.44Å; E538-Y542 WeakPolarHBondContact O-CB 3.39Å; E538-Y542 PolarHBondContact O-N 3.14Å; K539-Y542 PolarHBondContact O-N 3.03Å; Y542-K544 VanDerWaalsContact C-N 3.3Å; Y542-K544 PolarHBondContact O-N 3.41Å; Y542-I545 PolarHBondContact O-N 2.74Å; Y542-M546 HydrophobicContact CD1-CG 4.05Å; Y542-M546 HydrophobicContact CD2-CG 4.41Å; Y542-M546 HydrophobicContact CE1-CG 3.61Å; Y542-M546 HydrophobicContact CE2-CG 4.01Å; Y542-M546 HydrophobicContact CE2-SD 4.36Å; Y542-M546 HydrophobicContact CG-CG 4.43Å; Y542-M546 WeakPolarHBondContact O-CB 3.37Å; Y542-M546 WeakPolarHBondContact O-CG 3.17Å; Y542-M546 PolarHBondContact O-N 2.64Å
543D82.4Confident81.5Confident78 Ų78116.3 Ų116.342%0.41754%0.536SS..Hα-helixtrans-61.4-39.5178-71.3-22.8000111.6K539 M546 F547K539-D543 WeakPolarHBondContact O-CB 3.28Å; K539-D543 VanDerWaalsContact O-CG 3.24Å; K539-D543 PolarHBondContact O-N 3.12Å; D543-M546 PolarHBondContact O-N 2.91Å; D543-F547 VanDerWaalsContact O-CB 3.31Å; D543-F547 WeakPolarHBondContact O-CB 3.45Å; D543-F547 PolarHBondContact O-N 3.48Å
544K85.6Confident81.6Confident140 Ų140116.5 Ų116.561%0.60953%0.528SS*.Hα-helixtrans-65.3-40.7176.2-166.6173.6-177.8179.30112.2Y540 L541 Y542 G548Y540-K544 WeakPolarHBondContact O-CB 3.38Å; Y540-K544 PolarHBondContact O-N 3.45Å; Y540-K544 VanDerWaalsContact O-N 3.09Å; L541-K544 PolarHBondContact O-N 3.08Å; Y542-K544 VanDerWaalsContact C-N 3.3Å; Y542-K544 PolarHBondContact O-N 3.41Å; K544-G548 PolarHBondContact O-N 3.16Å
545I83.8Confident81.6Confident89 Ų89117.9 Ų117.946%0.45653%0.533SS..Hα-helixtrans-66.9-44.2175.7-67.2166.9000110.7L541 Y542 F547 G548 K549L541-I545 HydrophobicContact CG-CD1 4.11Å; L541-I545 WeakPolarHBondContact O-CG1 3.35Å; L541-I545 PolarHBondContact O-N 3.48Å; Y542-I545 PolarHBondContact O-N 2.74Å; I545-F547 VanDerWaalsContact C-N 3.33Å; I545-F547 PolarHBondContact O-N 2.77Å; I545-G548 PolarHBondContact O-N 3.37Å; I545-K549 PolarHBondContact O-N 2.96Å
546M85Confident81.6Confident61 Ų61113.1 Ų113.130%0.352%0.523SS..Hα-helixtrans-67.1-34.4179.2-72-56.2-6900112.3Y542 D543 K549 K550Y542-M546 HydrophobicContact CD1-CG 4.05Å; Y542-M546 HydrophobicContact CD2-CG 4.41Å; Y542-M546 HydrophobicContact CE1-CG 3.61Å; Y542-M546 HydrophobicContact CE2-CG 4.01Å; Y542-M546 HydrophobicContact CE2-SD 4.36Å; Y542-M546 HydrophobicContact CG-CG 4.43Å; Y542-M546 WeakPolarHBondContact O-CB 3.37Å; Y542-M546 WeakPolarHBondContact O-CG 3.17Å; Y542-M546 PolarHBondContact O-N 2.64Å; D543-M546 PolarHBondContact O-N 2.91Å; M546-K549 PolarHBondContact O-N 3.39Å; M546-K549 HydrophobicContact SD-CD 4.41Å; M546-K550 WeakPolarHBondContact O-CB 3.47Å; M546-K550 WeakPolarHBondContact O-CG 3.3Å; M546-K550 PolarHBondContact O-N 3.44Å
547F82.3Confident81.8Confident133 Ų133108.9 Ų108.958%0.58351%0.509SS*.Hα-helixtrans-62.7-44.4172.1-176.1-96.4000111.7D543 I545 K550 R551D543-F547 VanDerWaalsContact O-CB 3.31Å; D543-F547 WeakPolarHBondContact O-CB 3.45Å; D543-F547 PolarHBondContact O-N 3.48Å; I545-F547 VanDerWaalsContact C-N 3.33Å; I545-F547 PolarHBondContact O-N 2.77Å; F547-K550 PolarHBondContact O-N 3.4Å; F547-R551 PolarHBondContact O-N 3.24Å
548G85.4Confident82.3Confident32 Ų32106.5 Ų106.533%0.3350%0.499SS..Hα-helixtrans-59.2-48.1174.400000112.8K544 I545 K550 R551 Q552K544-G548 PolarHBondContact O-N 3.16Å; I545-G548 PolarHBondContact O-N 3.37Å; G548-K550 PolarHBondContact O-N 3.43Å; G548-R551 PolarHBondContact O-N 3.05Å; G548-Q552 PolarHBondContact O-N 3.28Å; G548-Q552 VanDerWaalsContact O-N 3.1Å
549K80.4Confident82.8Confident122 Ų122107.1 Ų107.153%0.5351%0.505SS..Hα-helixtrans-61.3-44.5175.9-75.5-176175.1-177.80112.4I545 M546 R551 Q552 V553I545-K549 PolarHBondContact O-N 2.96Å; M546-K549 PolarHBondContact O-N 3.39Å; M546-K549 HydrophobicContact SD-CD 4.41Å; K549-R551 VanDerWaalsContact C-N 3.29Å; K549-R551 PolarHBondContact O-N 3.08Å; K549-Q552 PolarHBondContact O-N 3.06Å; K549-V553 WeakPolarHBondContact O-CG2 3.39Å; K549-V553 PolarHBondContact O-N 3.19Å
550K80.4Confident82.9Confident122 Ų122106.2 Ų106.253%0.5351%0.512SS..Hα-helixtrans-62-36.1177.3-79.2-179.5179.8-179.10112.2M546 F547 G548 R554M546-K550 WeakPolarHBondContact O-CB 3.47Å; M546-K550 WeakPolarHBondContact O-CG 3.3Å; M546-K550 PolarHBondContact O-N 3.44Å; F547-K550 PolarHBondContact O-N 3.4Å; G548-K550 PolarHBondContact O-N 3.43Å; K550-R554 WeakPolarHBondContact O-CG 3.36Å; K550-R554 PolarHBondContact O-N 3.17Å
551R82.4Confident83.2Confident153 Ų153101.3 Ų101.358%0.57751%0.505SS*.Hα-helixtrans-65.9-46.7175.6-176.6177.7169176.8-1.3111.5F547 G548 K549 V553 R554 E555F547-R551 PolarHBondContact O-N 3.24Å; G548-R551 PolarHBondContact O-N 3.05Å; K549-R551 VanDerWaalsContact C-N 3.29Å; K549-R551 PolarHBondContact O-N 3.08Å; R551-V553 PolarHBondContact O-N 3.09Å; R551-R554 PolarHBondContact O-N 2.99Å; R551-E555 IonicContact CZ-OE1 3.46Å; R551-E555 IonicContact NE-OE1 3.78Å; R551-E555 PolarHBondContact NE-OE1 3.44Å; R551-E555 IonicContact NH2-OE1 2.71Å; R551-E555 PolarHBondContact O-N 3.12Å
552Q81.7Confident83.3Confident138 Ų138102.7 Ų102.765%0.64551%0.507SS*.Hα-helixtrans-60.5-42.7176.4-72.2179.4-7.700112.2G548 K549 R554 E555 A556G548-Q552 PolarHBondContact O-N 3.28Å; G548-Q552 VanDerWaalsContact O-N 3.1Å; K549-Q552 PolarHBondContact O-N 3.06Å; Q552-R554 PolarHBondContact O-N 3.09Å; Q552-E555 PolarHBondContact O-N 3.27Å; Q552-A556 WeakPolarHBondContact O-CB 3.47Å; Q552-A556 PolarHBondContact O-N 3Å
553V80.7Confident83.4Confident82 Ų82107.8 Ų107.850%0.49753%0.525SS..Hα-helixtrans-64.2-40.3176.4173.10000111.7K549 R551 A556 N557K549-V553 WeakPolarHBondContact O-CG2 3.39Å; K549-V553 PolarHBondContact O-N 3.19Å; R551-V553 PolarHBondContact O-N 3.09Å; V553-A556 PolarHBondContact O-N 3.09Å; V553-N557 WeakPolarHBondContact O-CB 3.5Å; V553-N557 VanDerWaalsContact O-CG 3.27Å; V553-N557 PolarHBondContact O-N 3.38Å
554R78.8Confident83.7Confident163 Ų163110.8 Ų110.862%0.61554%0.535SS*.Hα-helixtrans-64-42.4175.2-78.2-173.5-126.3175.7-0.6112.3K550 R551 Q552 N557 K558K550-R554 WeakPolarHBondContact O-CG 3.36Å; K550-R554 PolarHBondContact O-N 3.17Å; R551-R554 PolarHBondContact O-N 2.99Å; Q552-R554 PolarHBondContact O-N 3.09Å; R554-N557 PolarHBondContact O-N 2.93Å; R554-K558 WeakPolarHBondContact O-CB 3.47Å; R554-K558 PolarHBondContact O-N 3.36Å
555E82.1Confident83.7Confident98 Ų98107 Ų10746%0.45853%0.529SS..Hα-helixtrans-64-43.2176.1-74.9176.7-170.200111R551 Q552 K558 L559R551-E555 IonicContact CZ-OE1 3.46Å; R551-E555 IonicContact NE-OE1 3.78Å; R551-E555 PolarHBondContact NE-OE1 3.44Å; R551-E555 IonicContact NH2-OE1 2.71Å; R551-E555 PolarHBondContact O-N 3.12Å; Q552-E555 PolarHBondContact O-N 3.27Å; E555-K558 PolarHBondContact O-N 2.93Å; E555-L559 WeakPolarHBondContact O-CG 3.07Å; E555-L559 PolarHBondContact O-N 2.93Å
556A83.4Confident83.9Confident53 Ų53107.9 Ų107.944%0.43853%0.532SS..Hα-helixtrans-61-45.3174.600000112.4Q552 V553 K558 L559 A560Q552-A556 WeakPolarHBondContact O-CB 3.47Å; Q552-A556 PolarHBondContact O-N 3Å; V553-A556 PolarHBondContact O-N 3.09Å; A556-K558 VanDerWaalsContact C-N 3.33Å; A556-K558 PolarHBondContact O-N 3.2Å; A556-L559 PolarHBondContact O-N 3.33Å; A556-A560 WeakPolarHBondContact O-CB 3.48Å; A556-A560 PolarHBondContact O-N 3.02Å
557N80.8Confident84Confident102 Ų102108.3 Ų108.355%0.54554%0.535SS..Hα-helixtrans-64.9-37.4176.7-73.4-10.8000112.1V553 R554 A560 A561V553-N557 WeakPolarHBondContact O-CB 3.5Å; V553-N557 VanDerWaalsContact O-CG 3.27Å; V553-N557 PolarHBondContact O-N 3.38Å; R554-N557 PolarHBondContact O-N 2.93Å; N557-A560 PolarHBondContact O-N 3.07Å; N557-A561 WeakPolarHBondContact O-CB 3.34Å; N557-A561 PolarHBondContact O-N 3.2Å
558K87.9Confident84.2Confident140 Ų140105.8 Ų105.861%0.60953%0.527SS*.Hα-helixtrans-65.2-39.8175-171174.4-176.4176.20111.3R554 E555 A556 K562R554-K558 WeakPolarHBondContact O-CB 3.47Å; R554-K558 PolarHBondContact O-N 3.36Å; E555-K558 PolarHBondContact O-N 2.93Å; A556-K558 VanDerWaalsContact C-N 3.33Å; A556-K558 PolarHBondContact O-N 3.2Å; K558-K562 WeakPolarHBondContact O-CB 3.46Å; K558-K562 WeakPolarHBondContact O-CG 3.45Å; K558-K562 PolarHBondContact O-N 2.95Å
559L86Confident84.1Confident118 Ų118106.6 Ų106.662%0.61853%0.531SS*.Hα-helixtrans-67.8-40.9174.2-70.4172000111.9E555 A556 K562 R563E555-L559 WeakPolarHBondContact O-CG 3.07Å; E555-L559 PolarHBondContact O-N 2.93Å; A556-L559 PolarHBondContact O-N 3.33Å; L559-K562 PolarHBondContact O-N 3.46Å; L559-R563 WeakPolarHBondContact O-CB 3.41Å; L559-R563 PolarHBondContact O-N 2.95Å
560A84.6Confident84.3Confident58 Ų58105 Ų10548%0.47953%0.526SS..Hα-helixtrans-63.1-43.3175.500000111.9A556 N557 R563 K564A556-A560 WeakPolarHBondContact O-CB 3.48Å; A556-A560 PolarHBondContact O-N 3.02Å; N557-A560 PolarHBondContact O-N 3.07Å; A560-R563 PolarHBondContact O-N 3.39Å; A560-K564 WeakPolarHBondContact O-CB 3.47Å; A560-K564 PolarHBondContact O-N 3.05Å
561A85.1Confident84.5Confident62 Ų62105.5 Ų105.551%0.51253%0.528SS..Hα-helixtrans-63.8-42.7175.200000111.8N557 R563 K564 A565N557-A561 WeakPolarHBondContact O-CB 3.34Å; N557-A561 PolarHBondContact O-N 3.2Å; A561-R563 VanDerWaalsContact C-N 3.33Å; A561-R563 PolarHBondContact O-N 3.32Å; A561-K564 PolarHBondContact O-N 2.83Å; A561-A565 WeakPolarHBondContact O-CB 3.5Å; A561-A565 PolarHBondContact O-N 2.9Å
562K87Confident84.3Confident134 Ų134100.8 Ų100.858%0.58352%0.521SS*.Hα-helixtrans-61.4-40.6174-79.6-175.7173.7-1660112.3K558 L559 A565 H566K558-K562 WeakPolarHBondContact O-CB 3.46Å; K558-K562 WeakPolarHBondContact O-CG 3.45Å; K558-K562 PolarHBondContact O-N 2.95Å; L559-K562 PolarHBondContact O-N 3.46Å; K562-A565 PolarHBondContact O-N 2.84Å; K562-H566 WeakPolarHBondContact O-CB 3.15Å; K562-H566 PolarHBondContact O-N 3.18Å
563R85.3Confident84.3Confident185 Ų185101.8 Ų101.870%0.69852%0.524SS*.Hα-helixtrans-67.5-42.9177.9-167.3141.2-174.1146.4-0.6111.8L559 A560 A561 A565 H566 D567L559-R563 WeakPolarHBondContact O-CB 3.41Å; L559-R563 PolarHBondContact O-N 2.95Å; A560-R563 PolarHBondContact O-N 3.39Å; A561-R563 VanDerWaalsContact C-N 3.33Å; A561-R563 PolarHBondContact O-N 3.32Å; R563-A565 VanDerWaalsContact C-N 3.34Å; R563-A565 PolarHBondContact O-N 2.88Å; R563-H566 WeakPolarHBondContact O-CB 3.4Å; R563-H566 PolarHBondContact O-N 3.21Å; R563-D567 PolarHBondContact O-N 3.2Å
564K88.1Confident84.1Confident142 Ų142104.5 Ų104.562%0.61753%0.529SS*.Hα-helixtrans-59.8-44.7174.1-166.2177.7-179.2-176.80111.7A560 A561 H566 D567 D568A560-K564 WeakPolarHBondContact O-CB 3.47Å; A560-K564 PolarHBondContact O-N 3.05Å; A561-K564 PolarHBondContact O-N 2.83Å; K564-H566 VanDerWaalsContact C-N 3.34Å; K564-H566 PolarHBondContact O-N 3.14Å; K564-D567 PolarHBondContact O-N 3.35Å; K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 VanDerWaalsContact O-CG 3.23Å; K564-D568 PolarHBondContact O-N 3.29Å
565A86.4Confident83.8Confident60 Ų60104.7 Ų104.750%0.49653%0.534SS..Hα-helixtrans-63.2-38175.700000112.8A561 K562 R563 A569A561-A565 WeakPolarHBondContact O-CB 3.5Å; A561-A565 PolarHBondContact O-N 2.9Å; K562-A565 PolarHBondContact O-N 2.84Å; R563-A565 VanDerWaalsContact C-N 3.34Å; R563-A565 PolarHBondContact O-N 2.88Å; A565-A569 VanDerWaalsContact O-CB 3.31Å; A565-A569 WeakPolarHBondContact O-CB 3.35Å; A565-A569 PolarHBondContact O-N 3.08Å
566H88.7Confident83.3Confident108 Ų108108.3 Ų108.350%0.555%0.548SS..Hα-helixtrans-64.8-46.6173.8-176.9-81.7000111.8K562 R563 K564 D568 A569 E570K562-H566 WeakPolarHBondContact O-CB 3.15Å; K562-H566 PolarHBondContact O-N 3.18Å; R563-H566 WeakPolarHBondContact O-CB 3.4Å; R563-H566 PolarHBondContact O-N 3.21Å; K564-H566 VanDerWaalsContact C-N 3.34Å; K564-H566 PolarHBondContact O-N 3.14Å; H566-D568 VanDerWaalsContact C-N 3.31Å; H566-D568 PolarHBondContact O-N 3.19Å; H566-A569 PolarHBondContact O-N 2.83Å; H566-E570 IonicContact CE1-OE1 3.38Å; H566-E570 PolarHBondContact O-N 3.03Å
567D86.8Confident82.5Confident69 Ų69109.9 Ų109.937%0.36956%0.562SS.*Hα-helixtrans-63.9-37.7179.5-65.3-17.9000111.5R563 K564 K571R563-D567 PolarHBondContact O-N 3.2Å; K564-D567 PolarHBondContact O-N 3.35Å; D567-K571 WeakPolarHBondContact O-CB 3.34Å; D567-K571 VanDerWaalsContact O-CG 3.27Å; D567-K571 WeakPolarHBondContact O-CG 3.28Å; D567-K571 PolarHBondContact O-N 2.87Å
568D85.3Confident81.4Confident80 Ų80116.4 Ų116.443%0.42858%0.578SS.*Hα-helixtrans-70-37.3175.5-69-24.2000111.6K564 H566 K571 A572K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 VanDerWaalsContact O-CG 3.23Å; K564-D568 PolarHBondContact O-N 3.29Å; H566-D568 VanDerWaalsContact C-N 3.31Å; H566-D568 PolarHBondContact O-N 3.19Å; D568-K571 PolarHBondContact O-N 2.92Å; D568-A572 WeakPolarHBondContact O-CB 3.48Å; D568-A572 PolarHBondContact O-N 2.75Å
569A84.9Confident79.6Confident50 Ų50121.4 Ų121.441%0.41360%0.6SS.*Hα-helixtrans-67.9-38.7173.500000112.8A565 H566 A572 K573A565-A569 VanDerWaalsContact O-CB 3.31Å; A565-A569 WeakPolarHBondContact O-CB 3.35Å; A565-A569 PolarHBondContact O-N 3.08Å; H566-A569 PolarHBondContact O-N 2.83Å; A569-A572 PolarHBondContact O-N 3.34Å; A569-K573 WeakPolarHBondContact O-CG 3.45Å; A569-K573 PolarHBondContact O-N 2.97Å
570E84.5Confident79.3Confident89 Ų89121.6 Ų121.642%0.41660%0.599SS.*Hα-helixtrans-65.3-41.9172.4-89.9-15317600112.1H566 A572 K573 K574H566-E570 IonicContact CE1-OE1 3.38Å; H566-E570 PolarHBondContact O-N 3.03Å; E570-A572 VanDerWaalsContact C-N 3.28Å; E570-A572 PolarHBondContact O-N 3.14Å; E570-K573 PolarHBondContact O-N 3.42Å; E570-K574 WeakPolarHBondContact O-CB 3.26Å; E570-K574 PolarHBondContact O-N 3Å; E570-K574 IonicContact OE2-NZ 3.94Å
571K83.9Confident79Confident132 Ų132124.9 Ų124.957%0.57461%0.606SS**Hα-helixtrans-60.9-39173.8-77.5172.1-175.6170.50111.4D567 D568 K575D567-K571 WeakPolarHBondContact O-CB 3.34Å; D567-K571 VanDerWaalsContact O-CG 3.27Å; D567-K571 WeakPolarHBondContact O-CG 3.28Å; D567-K571 PolarHBondContact O-N 2.87Å; D568-K571 PolarHBondContact O-N 2.92Å; K571-K575 WeakPolarHBondContact O-CB 3.29Å; K571-K575 PolarHBondContact O-N 3.34Å
572A79.3Confident78.7Confident53 Ų53128.4 Ų128.444%0.43861%0.611SS.*Hα-helixtrans-66.3-41.4175.100000112.3D568 A569 E570 K575 K576D568-A572 WeakPolarHBondContact O-CB 3.48Å; D568-A572 PolarHBondContact O-N 2.75Å; A569-A572 PolarHBondContact O-N 3.34Å; E570-A572 VanDerWaalsContact C-N 3.28Å; E570-A572 PolarHBondContact O-N 3.14Å; A572-K575 PolarHBondContact O-N 3.17Å; A572-K576 PolarHBondContact O-N 3.44Å
573K79.9Confident78.2Confident159 Ų159128.1 Ų128.169%0.69161%0.612SS**Hα-helixtrans-64.4-43.7174-76.4-179.6177.1-178.20112.4A569 E570 K575 K576 A577A569-K573 WeakPolarHBondContact O-CG 3.45Å; A569-K573 PolarHBondContact O-N 2.97Å; E570-K573 PolarHBondContact O-N 3.42Å; K573-K575 VanDerWaalsContact C-N 3.3Å; K573-K575 PolarHBondContact O-N 3.3Å; K573-K576 PolarHBondContact O-N 3.33Å; K573-K576 VanDerWaalsContact O-N 3.14Å; K573-A577 PolarHBondContact O-N 3.09Å
574K76.5Confident77.7Confident139 Ų139124.5 Ų124.560%0.60461%0.607SS**Hα-helixtrans-63.5-33.4174.5-77.2177.3178.2165.80112.6E570 R578E570-K574 WeakPolarHBondContact O-CB 3.26Å; E570-K574 PolarHBondContact O-N 3Å; E570-K574 IonicContact OE2-NZ 3.94Å; K574-R578 PolarHBondContact O-N 3.26Å
575K73.2Confident77Confident168 Ų168123.3 Ų123.373%0.7361%0.606SS**Hα-helixtrans-68.9-36.9171.5-86.6-177.4173.4-177.10112.6K571 A572 K573 R578K571-K575 WeakPolarHBondContact O-CB 3.29Å; K571-K575 PolarHBondContact O-N 3.34Å; A572-K575 PolarHBondContact O-N 3.17Å; K573-K575 VanDerWaalsContact C-N 3.3Å; K573-K575 PolarHBondContact O-N 3.3Å; K575-R578 PolarHBondContact O-N 3.4Å
576K70.9Confident76.4Confident173 Ų173127.9 Ų127.975%0.75261%0.614SS**Hα-helixtrans-71.9-28.8176.2-76.2-171.7177.1-173.20113.8A572 K573 R578A572-K576 PolarHBondContact O-N 3.44Å; K573-K576 PolarHBondContact O-N 3.33Å; K573-K576 VanDerWaalsContact O-N 3.14Å; K576-R578 VanDerWaalsContact C-N 3.32Å
577A67.1Low75.4Confident87 Ų87129.4 Ų129.472%0.71962%0.623SS**THydrogen-bonded Turntrans-83.2-4.9176.200000114.4K573K573-A577 PolarHBondContact O-N 3.09Å
578R58.9Low74.5Confident238 Ų238134.4 Ų134.490%0.89864%0.644SS**THydrogen-bonded Turntrans-103.5-5.8177.1-104.4-177167.9-171.5-3.8113.5K574 K575 K576K574-R578 PolarHBondContact O-N 3.26Å; K575-R578 PolarHBondContact O-N 3.4Å; K576-R578 VanDerWaalsContact C-N 3.32Å
579K49.4Very low73.5Confident245 Ų245139.4 Ų139.4100%1.06566%0.664SS**  trans-95.90160.7-98.5-172.1171.8-171.80107.1

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