A0A087XY77_POEFO Loading...

Enoyl-CoA delta isomerase 2

AlphaFold DB , UniProt , Accession A0A087XY77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M40.2Very low60.6Low199 Ų19969.4 Ų69.498%0.9842%0.421SS*.  0125.20-170.4-178.4-6800107.6C3 P160M1-C3 PolarHBondContact O-N 3.38Å; M1-P160 HydrophobicContact SD-CB 3.97Å; M1-P160 HydrophobicContact SD-CG 3.61Å
2V52Low62.2Low102 Ų10273.8 Ų73.862%0.61844%0.441SS*.  trans-79.6115178.4177.80000109C4 K54V2-C4 WeakPolarHBondContact CG1-O 3.32Å; V2-K54 PolarHBondContact O-NZ 3.4Å
3C50.1Low63.6Low16 Ų1677.9 Ų77.911%0.10845%0.449CS..  trans-84.7-27.8-177.663.40000113.4M1 P55 A156M1-C3 PolarHBondContact O-N 3.38Å; C3-P55 WeakPolarHBondContact O-CD 3.49Å; C3-A156 WeakPolarHBondContact SG-CA 3.42Å
4C56.6Low65Low20 Ų2074.1 Ų74.114%0.13542%0.424CS..SBendtrans-135.9146.7-176.1-560000109.7V2 P55 V57V2-C4 WeakPolarHBondContact CG1-O 3.32Å; C4-P55 CarbonylContact C-O 3.56Å; C4-P55 WeakPolarHBondContact CA-O 3.5Å; C4-P55 HydrophobicContact CB-CB 4.47Å; C4-V57 HydrophobicContact CB-CG2 4.31Å
5F70.3Confident66.4Low97 Ų9772.3 Ų72.343%0.42542%0.417SS..EExtended strand (participates in β ladder)trans-91.3135.1165.7-179.4-85.6000109.9F52 P55 L56 V57F5-F52 HydrophobicContact CB-CD1 4.4Å; F5-F52 HydrophobicContact CB-CE1 3.38Å; F5-F52 HydrophobicContact CB-CZ 3.46Å; F5-F52 VanDerWaalsContact CB-CZ 3.46Å; F5-F52 HydrophobicContact CD2-CZ 4.21Å; F5-F52 HydrophobicContact CG-CE1 4.3Å; F5-F52 HydrophobicContact CG-CZ 4.06Å; F5-P55 PolarHBondContact N-O 3.22Å; F5-L56 HydrophobicContact CB-CD1 3.74Å; F5-L56 HydrophobicContact CD1-CD1 3.36Å; F5-L56 HydrophobicContact CE1-CD1 4.32Å; F5-L56 HydrophobicContact CG-CD1 3.93Å; F5-V57 PolarHBondContact O-N 2.74Å
6L62.6Low67.2Low53 Ų5373.6 Ų73.628%0.27743%0.431SS..EExtended strand (participates in β ladder)trans-108.5127.6179.817663.4000109V59 W149 L152L6-V59 HydrophobicContact CD1-CB 3.72Å; L6-V59 HydrophobicContact CD1-CG2 3.17Å; L6-W149 HydrophobicContact CD2-CH2 3.8Å; L6-W149 HydrophobicContact CD2-CZ2 3.78Å; L6-L152 HydrophobicContact CD1-CD1 4.01Å; L6-L152 HydrophobicContact CD2-CD1 4.34Å
7S66.7Low67.9Low28 Ų2870.2 Ų70.220%0.19642%0.416CS..EExtended strand (participates in β ladder)trans-112.9119.8168.7-171.90000108.8Y14 V57 V59S7-Y14 VanDerWaalsContact CB-OH 3.29Å; S7-Y14 WeakPolarHBondContact CB-OH 3.47Å; S7-Y14 PolarHBondContact OG-OH 2.96Å; S7-V57 PolarHBondContact N-O 3.05Å; S7-V59 PolarHBondContact O-N 3.49Å
8E66.8Low68.4Low82 Ų8270.2 Ų70.238%0.38341%0.414SS..EExtended strand (participates in β ladder)trans-138.7140.6-176.2-175.8176-172.700109.6Q145E8-Q145 PolarHBondContact OE1-NE2 2.96Å; E8-Q145 PolarHBondContact OE1-OE1 3.32Å
9G58Low69.1Low10 Ų1071.7 Ų71.710%0.10342%0.42CS..  trans-89.7148.9173.500000111.8Y14 N61G9-Y14 WeakPolarHBondContact CA-O 3.13Å; G9-N61 WeakPolarHBondContact CA-OD1 3.43Å; G9-N61 PolarHBondContact N-OD1 3.25Å; G9-N61 PolarHBondContact O-ND2 2.94Å; G9-N61 VanDerWaalsContact O-ND2 3.07Å; G9-N61 PolarHBondContact O-OD1 3.44Å
10A64.3Low69.7Low101 Ų10169.1 Ų69.184%0.83540%0.404SS*.SBendtrans-91.6132.8172.600000110.7
11G78.6Confident70.2Confident55 Ų5567.1 Ų67.157%0.56739%0.394SS*.THydrogen-bonded Turntrans85.9-145.7176.400000114.1F13 N61G11-F13 VanDerWaalsContact C-N 3.35Å; G11-N61 PolarHBondContact O-ND2 3.27Å
12D80.9Confident72Confident123 Ų12361 Ų6166%0.65837%0.368SS*.THydrogen-bonded Turntrans-81.7-12.8-172-62-31.3000114P63D12-P63 WeakPolarHBondContact O-CD 3.44Å
13F79.8Confident73.3Confident127 Ų12757.4 Ų57.456%0.55734%0.344SS*.  trans-118.5148.4-177.9-66.9-94.6000110.6G11 P63G11-F13 VanDerWaalsContact C-N 3.35Å; F13-P63 HydrophobicContact CD1-CB 3.81Å; F13-P63 HydrophobicContact CD1-CG 4Å; F13-P63 HydrophobicContact CE1-CB 4.04Å; F13-P63 HydrophobicContact CE1-CG 4Å
14Y82.6Confident74.8Confident25 Ų2560.6 Ų60.610%0.09836%0.363CS..SBendtrans-80.4-60.4169.7177.7-107.2000110.3S7 G9 V59 V60 P63 A64S7-Y14 VanDerWaalsContact CB-OH 3.29Å; S7-Y14 WeakPolarHBondContact CB-OH 3.47Å; S7-Y14 PolarHBondContact OG-OH 2.96Å; G9-Y14 WeakPolarHBondContact CA-O 3.13Å; Y14-V59 WeakPolarHBondContact CE2-O 3.34Å; Y14-V60 HydrophobicContact CD1-CG1 4.19Å; Y14-V60 HydrophobicContact CD1-CG2 4.42Å; Y14-V60 HydrophobicContact CD2-CB 4.32Å; Y14-V60 HydrophobicContact CD2-CG1 4.27Å; Y14-V60 HydrophobicContact CD2-CG2 4.34Å; Y14-V60 HydrophobicContact CE1-CG2 4.34Å; Y14-V60 HydrophobicContact CE2-CG2 4.26Å; Y14-V60 HydrophobicContact CG-CB 4.36Å; Y14-V60 HydrophobicContact CG-CG1 3.84Å; Y14-V60 HydrophobicContact CG-CG2 4.41Å; Y14-P63 PolarHBondContact N-O 3.32Å; Y14-A64 HydrophobicContact CD1-CB 3.88Å
15C86.8Confident76Confident47 Ų4766.3 Ų66.332%0.31839%0.386SS..BIsolated β-bridgetrans-165.2135176.4-176.90000110.5G17 A64 V65 S68C15-G17 VanDerWaalsContact C-N 3.28Å; C15-G17 PolarHBondContact O-N 3.21Å; C15-G17 PolarHBondContact SG-N 2.97Å; C15-G17 VanDerWaalsContact SG-N 3.37Å; C15-A64 CarbonylContact O-C 3.55Å; C15-A64 WeakPolarHBondContact O-CA 3.35Å; C15-V65 PolarHBondContact O-N 3.05Å; C15-S68 VanDerWaalsContact CB-CB 3.48Å; C15-S68 PolarHBondContact O-OG 3.12Å
16S79.7Confident76.7Confident92 Ų9265.8 Ų65.864%0.64339%0.386SS*.  trans-84.22.1176.557.20000114.2
17G78.9Confident77.7Confident16 Ų1665.4 Ų65.417%0.16539%0.387CS..  trans82.2-153.4-176.500000113.2C15 V65C15-G17 VanDerWaalsContact C-N 3.28Å; C15-G17 PolarHBondContact O-N 3.21Å; C15-G17 PolarHBondContact SG-N 2.97Å; C15-G17 VanDerWaalsContact SG-N 3.37Å; G17-V65 WeakPolarHBondContact CA-O 3.24Å; G17-V65 PolarHBondContact N-O 3.29Å
18N75.9Confident78.5Confident71 Ų7174.1 Ų74.138%0.3843%0.425SS..SBendtrans-61138.7-177.8-68.6-27000111.8L20 I67N18-L20 PolarHBondContact O-N 3.12Å; N18-L20 VanDerWaalsContact O-N 3.09Å; N18-I67 WeakPolarHBondContact OD1-CG2 3.08Å
19D82.2Confident79.4Confident99 Ų9972.8 Ų72.853%0.52943%0.432SS..  trans-72.9102.5171.5-178.44.5000110S21 T22D19-S21 PolarHBondContact O-N 3.5Å; D19-S21 VanDerWaalsContact O-N 3.14Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.02Å; D19-S21 PolarHBondContact OD1-OG 3.06Å; D19-S21 PolarHBondContact OD2-OG 3.47Å; D19-T22 WeakPolarHBondContact O-CB 3.36Å; D19-T22 PolarHBondContact O-N 3.41Å; D19-T22 VanDerWaalsContact O-N 3.15Å; D19-T22 PolarHBondContact O-OG1 3.37Å
20L81.3Confident81Confident19 Ų1973.5 Ų73.510%0.09944%0.44CS..G310 helixtrans-64.5-14179.4-59.6-178.7000113N18 T22 F23 L93 F205 F206N18-L20 PolarHBondContact O-N 3.12Å; N18-L20 VanDerWaalsContact O-N 3.09Å; L20-T22 PolarHBondContact O-N 3.35Å; L20-F23 HydrophobicContact CD2-CD2 4.29Å; L20-F23 HydrophobicContact CD2-CE2 3.94Å; L20-F23 WeakPolarHBondContact O-CD2 3.49Å; L20-F23 PolarHBondContact O-N 3.5Å; L20-F23 VanDerWaalsContact O-N 3.15Å; L20-L93 HydrophobicContact CD1-CD1 3.98Å; L20-L93 HydrophobicContact CD1-CD2 3.93Å; L20-L93 HydrophobicContact CD2-CD1 4.39Å; L20-F205 HydrophobicContact CD1-CD1 3.81Å; L20-F205 HydrophobicContact CD1-CE1 3.84Å; L20-F205 HydrophobicContact CD1-CG 4.43Å; L20-F205 HydrophobicContact CD1-CZ 4.46Å; L20-F206 HydrophobicContact CB-CE2 4.25Å; L20-F206 HydrophobicContact CB-CZ 3.82Å; L20-F206 WeakPolarHBondContact O-CZ 3.44Å
21S80.4Confident82.2Confident27 Ų2771.2 Ų71.219%0.18942%0.415CS..G310 helixtrans-65.2-16.8174.881.80000112.3D19 F23 T24D19-S21 PolarHBondContact O-N 3.5Å; D19-S21 VanDerWaalsContact O-N 3.14Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.02Å; D19-S21 PolarHBondContact OD1-OG 3.06Å; D19-S21 PolarHBondContact OD2-OG 3.47Å; S21-F23 PolarHBondContact O-N 3.16Å; S21-T24 PolarHBondContact O-N 3.11Å; S21-T24 VanDerWaalsContact O-N 3.1Å; S21-T24 PolarHBondContact O-OG1 3.49Å
22T78.2Confident82.9Confident72 Ų7274.7 Ų74.744%0.44242%0.417SS..G310 helixtrans-61.1-30.5173.8-47.60000111.9D19 L20 T24 K25D19-T22 WeakPolarHBondContact O-CB 3.36Å; D19-T22 PolarHBondContact O-N 3.41Å; D19-T22 VanDerWaalsContact O-N 3.15Å; D19-T22 PolarHBondContact O-OG1 3.37Å; L20-T22 PolarHBondContact O-N 3.35Å; T22-T24 PolarHBondContact O-N 2.84Å; T22-K25 PolarHBondContact O-N 2.85Å; T22-K25 VanDerWaalsContact O-N 3.17Å
23F78.6Confident83.5Confident25 Ų2571.3 Ų71.311%0.1140%0.397CS..G310 helixtrans-67.8-18.7176.9-72.3-91.7000113.6L20 S21 M34 W193 V202L20-F23 HydrophobicContact CD2-CD2 4.29Å; L20-F23 HydrophobicContact CD2-CE2 3.94Å; L20-F23 WeakPolarHBondContact O-CD2 3.49Å; L20-F23 PolarHBondContact O-N 3.5Å; L20-F23 VanDerWaalsContact O-N 3.15Å; S21-F23 PolarHBondContact O-N 3.16Å; F23-M34 HydrophobicContact CD1-CE 4.44Å; F23-W193 HydrophobicContact CE1-CB 4.03Å; F23-W193 AromaticContact CE1-CD1 3.48Å; F23-W193 VanDerWaalsContact CE1-CD1 3.48Å; F23-W193 AromaticContact CE1-CG 3.86Å; F23-W193 HydrophobicContact CE1-CG 3.86Å; F23-W193 AromaticContact CZ-CD1 3.34Å; F23-W193 AromaticContact CZ-CG 4Å; F23-W193 HydrophobicContact CZ-CG 4Å; F23-W193 AromaticContact CZ-NE1 3.58Å; F23-V202 HydrophobicContact CB-CG1 4.03Å; F23-V202 HydrophobicContact CD2-CG1 4.34Å; F23-V202 HydrophobicContact CG-CG1 4.21Å
24T80.8Confident84.1Confident83 Ų8366.2 Ų66.251%0.50938%0.375SS..G310 helixtrans-94.1-8.3176.868.50000112.8S21 T22 F206S21-T24 PolarHBondContact O-N 3.11Å; S21-T24 VanDerWaalsContact O-N 3.1Å; S21-T24 PolarHBondContact O-OG1 3.49Å; T22-T24 PolarHBondContact O-N 2.84Å; T24-F206 HydrophobicContact CG2-CE2 4.19Å
25K83.3Confident84.7Confident141 Ų14165 Ų6561%0.61337%0.371SS*.  trans-104.571.5-179.1-64.4177-173.7167.10110.3T22T22-K25 PolarHBondContact O-N 2.85Å; T22-K25 VanDerWaalsContact O-N 3.17Å
26I83.6Confident85.1Confident86 Ų8668.2 Ų68.244%0.44138%0.376SS..  trans-74.4122.9-178.8-54.1175.3000109G30 V31I26-G30 VanDerWaalsContact CG2-C 3.46Å; I26-V31 HydrophobicContact CD1-CG2 3.82Å; I26-V31 HydrophobicContact CG1-CG2 4.3Å; I26-V31 HydrophobicContact CG2-CG2 4.1Å
27P84.1Confident85.7Confident44 Ų4468.4 Ų68.429%0.28637%0.367SS..  trans-69.8169.4176.931.1-34.7000111.1G29 G30 E33 M34P27-G29 PolarHBondContact O-N 2.91Å; P27-G29 VanDerWaalsContact O-N 3.15Å; P27-G30 WeakPolarHBondContact O-CA 3.5Å; P27-G30 PolarHBondContact O-N 3.45Å; P27-E33 HydrophobicContact CG-CB 4.4Å; P27-E33 HydrophobicContact CG-CG 4.45Å; P27-M34 HydrophobicContact CG-CB 4.02Å
28E83.9Confident86.5Confident212 Ų21268.8 Ų68.899%0.99137%0.371SS*.THydrogen-bonded Turntrans-55.8-33.4177.6-66-177.6173.300112.9G30E28-G30 PolarHBondContact O-N 3.26Å; E28-G30 VanDerWaalsContact O-N 3.17Å
29G85.3Confident87.5Confident53 Ų5365.5 Ų65.555%0.54635%0.354SS..THydrogen-bonded Turntrans-723.6174.300000115.2P27P27-G29 PolarHBondContact O-N 2.91Å; P27-G29 VanDerWaalsContact O-N 3.15Å
30G92.1Very high88.2Confident25 Ų2564.1 Ų64.126%0.25834%0.344SS..Hα-helixtrans76.3-170.5176.700000114.6I26 P27 E28 Q32 E33 M34I26-G30 VanDerWaalsContact CG2-C 3.46Å; P27-G30 WeakPolarHBondContact O-CA 3.5Å; P27-G30 PolarHBondContact O-N 3.45Å; E28-G30 PolarHBondContact O-N 3.26Å; E28-G30 VanDerWaalsContact O-N 3.17Å; G30-Q32 VanDerWaalsContact C-N 3.26Å; G30-Q32 PolarHBondContact O-N 3.38Å; G30-E33 PolarHBondContact O-N 3.05Å; G30-M34 PolarHBondContact O-N 3.12Å
31V90.3Very high88.9Confident54 Ų5469.2 Ų69.233%0.32737%0.371SS..Hα-helixtrans-63.7-31.6-176.6176.80000112.1I26 M34 A35 T194I26-V31 HydrophobicContact CD1-CG2 3.82Å; I26-V31 HydrophobicContact CG1-CG2 4.3Å; I26-V31 HydrophobicContact CG2-CG2 4.1Å; V31-M34 HydrophobicContact CG1-CE 4.05Å; V31-M34 PolarHBondContact O-N 3.12Å; V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 3.21Å; V31-T194 HydrophobicContact CG1-CG2 4.2Å
32Q92.7Very high89.7Confident128 Ų12868.4 Ų68.460%0.59836%0.364SS*.Hα-helixtrans-65.7-44.3178.6-66.6-62.3-27.100112G30 A35 R36G30-Q32 VanDerWaalsContact C-N 3.26Å; G30-Q32 PolarHBondContact O-N 3.38Å; Q32-A35 PolarHBondContact O-N 3Å; Q32-R36 WeakPolarHBondContact O-CB 3.39Å; Q32-R36 PolarHBondContact O-N 2.81Å
33E93.1Very high90.6Very high51 Ų5168.3 Ų68.324%0.23836%0.356CS..Hα-helixtrans-68.1-38.7177.3179.657.7-168.100111.6P27 G30 A35 R36 Q37P27-E33 HydrophobicContact CG-CB 4.4Å; P27-E33 HydrophobicContact CG-CG 4.45Å; G30-E33 PolarHBondContact O-N 3.05Å; E33-A35 PolarHBondContact O-N 3.14Å; E33-R36 PolarHBondContact O-N 3.39Å; E33-R36 IonicContact OE1-CZ 2.79Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 IonicContact OE1-NH2 3.21Å; E33-R36 PolarHBondContact OE1-NH2 2.71Å; E33-R36 IonicContact OE2-CZ 2.86Å; E33-R36 IonicContact OE2-NE 3.22Å; E33-R36 PolarHBondContact OE2-NE 2.64Å; E33-R36 IonicContact OE2-NH2 3.73Å; E33-R36 PolarHBondContact OE2-NH2 2.65Å; E33-Q37 HydrophobicContact CG-CG 4.46Å; E33-Q37 WeakPolarHBondContact O-CG 3.33Å; E33-Q37 PolarHBondContact O-N 2.99Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.27Å; E33-Q37 PolarHBondContact OE1-NE2 3.05Å
34M92.8Very high91.6Very high21 Ų2173.1 Ų73.110%0.10338%0.377CS..Hα-helixtrans-57.4-48.6172.6178.3-105.1-7100111.8F23 P27 G30 V31 R36 Q37 G38F23-M34 HydrophobicContact CD1-CE 4.44Å; P27-M34 HydrophobicContact CG-CB 4.02Å; G30-M34 PolarHBondContact O-N 3.12Å; V31-M34 HydrophobicContact CG1-CE 4.05Å; V31-M34 PolarHBondContact O-N 3.12Å; M34-R36 PolarHBondContact O-N 2.5Å; M34-Q37 PolarHBondContact O-N 3.46Å; M34-G38 PolarHBondContact O-N 3.04Å
35A94.1Very high92.4Very high0 Ų073.2 Ų73.20%037%0.368CS..Hα-helixtrans-62.7-41.9178.700000111.8V31 Q32 E33 G38 A39 M190 W193 T194V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 3.21Å; Q32-A35 PolarHBondContact O-N 3Å; E33-A35 PolarHBondContact O-N 3.14Å; A35-G38 PolarHBondContact O-N 3.06Å; A35-A39 WeakPolarHBondContact O-CB 3.44Å; A35-A39 PolarHBondContact O-N 3.47Å; A35-M190 HydrophobicContact CB-CG 3.97Å; A35-W193 HydrophobicContact CB-CB 4.22Å; A35-W193 HydrophobicContact CB-CE3 4.35Å; A35-T194 HydrophobicContact CB-CG2 3.69Å
36R95.1Very high93.1Very high113 Ų11366.5 Ų66.543%0.42634%0.339SS..Hα-helixtrans-62.4-46.6177.7-168.1-167.169.873.51.3112.2Q32 E33 M34 A39 E40Q32-R36 WeakPolarHBondContact O-CB 3.39Å; Q32-R36 PolarHBondContact O-N 2.81Å; E33-R36 PolarHBondContact O-N 3.39Å; E33-R36 IonicContact OE1-CZ 2.79Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 IonicContact OE1-NH2 3.21Å; E33-R36 PolarHBondContact OE1-NH2 2.71Å; E33-R36 IonicContact OE2-CZ 2.86Å; E33-R36 IonicContact OE2-NE 3.22Å; E33-R36 PolarHBondContact OE2-NE 2.64Å; E33-R36 IonicContact OE2-NH2 3.73Å; E33-R36 PolarHBondContact OE2-NH2 2.65Å; M34-R36 PolarHBondContact O-N 2.5Å; R36-A39 PolarHBondContact O-N 2.8Å; R36-E40 IonicContact NH1-OE2 3.55Å; R36-E40 PolarHBondContact NH1-OE2 2.73Å; R36-E40 PolarHBondContact O-N 3.37Å
37Q94.1Very high93.8Very high96 Ų9666.5 Ų66.545%0.44933%0.334SS..Hα-helixtrans-65.2-44.3178.1-70.4178.8700111.6E33 M34 A39 E40 L41E33-Q37 HydrophobicContact CG-CG 4.46Å; E33-Q37 WeakPolarHBondContact O-CG 3.33Å; E33-Q37 PolarHBondContact O-N 2.99Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.27Å; E33-Q37 PolarHBondContact OE1-NE2 3.05Å; M34-Q37 PolarHBondContact O-N 3.46Å; Q37-A39 VanDerWaalsContact C-N 3.3Å; Q37-A39 PolarHBondContact O-N 3.4Å; Q37-E40 PolarHBondContact O-N 3.33Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 PolarHBondContact O-N 3.28Å
38G94.3Very high94.4Very high25 Ų2567.2 Ų67.226%0.25834%0.343SS..Hα-helixtrans-59-42174.600000112.1M34 A35 L41 L42M34-G38 PolarHBondContact O-N 3.04Å; A35-G38 PolarHBondContact O-N 3.06Å; G38-L41 PolarHBondContact O-N 2.71Å; G38-L42 WeakPolarHBondContact O-CB 3.06Å; G38-L42 PolarHBondContact O-N 3.38Å
39A96.4Very high95.1Very high2 Ų258.7 Ų58.72%0.01730%0.302CS..Hα-helixtrans-65.5-44179.600000111.4A35 R36 Q37 R43 V186 M190 W193A35-A39 WeakPolarHBondContact O-CB 3.44Å; A35-A39 PolarHBondContact O-N 3.47Å; R36-A39 PolarHBondContact O-N 2.8Å; Q37-A39 VanDerWaalsContact C-N 3.3Å; Q37-A39 PolarHBondContact O-N 3.4Å; A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.45Å; A39-R43 PolarHBondContact O-N 3.21Å; A39-V186 HydrophobicContact CB-CG1 3.55Å; A39-V186 WeakPolarHBondContact O-CG1 3.38Å; A39-M190 HydrophobicContact CB-CB 4.18Å; A39-M190 HydrophobicContact CB-CG 4.29Å; A39-M190 HydrophobicContact CB-SD 4.17Å; A39-W193 HydrophobicContact CB-CZ3 4.16Å
40E97.2Very high95.7Very high70 Ų7056.3 Ų56.333%0.32728%0.277SS..Hα-helixtrans-63.4-42.8176.1-171.7179.9164.100112R36 Q37 K44R36-E40 IonicContact NH1-OE2 3.55Å; R36-E40 PolarHBondContact NH1-OE2 2.73Å; R36-E40 PolarHBondContact O-N 3.37Å; Q37-E40 PolarHBondContact O-N 3.33Å; E40-K44 HydrophobicContact CG-CD 4.39Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3Å; E40-K44 VanDerWaalsContact O-N 3.07Å; E40-K44 VanDerWaalsContact OE1-CE 3.29Å; E40-K44 WeakPolarHBondContact OE1-CE 3.35Å; E40-K44 IonicContact OE1-NZ 2.82Å; E40-K44 PolarHBondContact OE1-NZ 3.24Å
41L96.5Very high95.9Very high125 Ų12558.2 Ų58.265%0.65428%0.281SS*.Hα-helixtrans-63.1-49.9177.1178.961.5000111.4Q37 G38 R43 K44 Y45Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 PolarHBondContact O-N 3.28Å; G38-L41 PolarHBondContact O-N 2.71Å; L41-R43 VanDerWaalsContact C-N 3.35Å; L41-R43 PolarHBondContact O-N 3.29Å; L41-K44 PolarHBondContact O-N 2.92Å; L41-Y45 VanDerWaalsContact O-CB 3.31Å; L41-Y45 WeakPolarHBondContact O-CB 3.41Å; L41-Y45 PolarHBondContact O-N 3.15Å
42L96.9Very high96.2Very high11 Ų1158.3 Ų58.36%0.05828%0.277CS..Hα-helixtrans-60.5-44.8179.4178.560.3000111.2G38 K44 Y45 V46 I67 E98 V186 L189 W193G38-L42 WeakPolarHBondContact O-CB 3.06Å; G38-L42 PolarHBondContact O-N 3.38Å; L42-K44 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 3.3Å; L42-Y45 HydrophobicContact CD1-CD1 4.45Å; L42-Y45 WeakPolarHBondContact O-CB 2.96Å; L42-Y45 PolarHBondContact O-N 3.02Å; L42-V46 HydrophobicContact CD1-CG2 3.94Å; L42-V46 HydrophobicContact CG-CG2 4.49Å; L42-V46 WeakPolarHBondContact O-CG2 3.34Å; L42-V46 PolarHBondContact O-N 2.7Å; L42-I67 HydrophobicContact CD1-CD1 3.69Å; L42-I67 HydrophobicContact CD1-CG1 4.24Å; L42-E98 HydrophobicContact CD2-CB 4.3Å; L42-E98 WeakPolarHBondContact CD2-OE2 3.45Å; L42-V186 HydrophobicContact CB-CG2 4.39Å; L42-V186 HydrophobicContact CD2-CG2 4Å; L42-V186 HydrophobicContact CG-CG2 3.99Å; L42-L189 HydrophobicContact CD2-CD1 3.34Å; L42-W193 HydrophobicContact CD2-CH2 4Å; L42-W193 HydrophobicContact CD2-CZ2 4.36Å
43R98.4Very high96.2Very high70 Ų7056.5 Ų56.526%0.26428%0.276SS..Hα-helixtrans-56.8-49176.7-171.9-174.6-65.2118.72111.2A39 L41 R47 N182 D183 V186A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.45Å; A39-R43 PolarHBondContact O-N 3.21Å; L41-R43 VanDerWaalsContact C-N 3.35Å; L41-R43 PolarHBondContact O-N 3.29Å; R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.24Å; R43-R47 WeakPolarHBondContact O-CG 3.15Å; R43-R47 PolarHBondContact O-N 3.45Å; R43-N182 PolarHBondContact O-ND2 3.48Å; R43-D183 WeakPolarHBondContact CD-OD1 3.15Å; R43-D183 WeakPolarHBondContact CG-OD1 3.45Å; R43-D183 IonicContact NE-OD1 3.82Å; R43-D183 PolarHBondContact NE-OD1 3.35Å; R43-V186 HydrophobicContact CB-CG1 4.41Å; R43-V186 HydrophobicContact CB-CG2 4.15Å
44K98.1Very high96.3Very high125 Ų12557.9 Ų57.954%0.54328%0.282SS..Hα-helixtrans-63.7-42.7178.3-73.5175.5-174.2171.60111.7E40 L41 L42 R47 A48E40-K44 HydrophobicContact CG-CD 4.39Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3Å; E40-K44 VanDerWaalsContact O-N 3.07Å; E40-K44 VanDerWaalsContact OE1-CE 3.29Å; E40-K44 WeakPolarHBondContact OE1-CE 3.35Å; E40-K44 IonicContact OE1-NZ 2.82Å; E40-K44 PolarHBondContact OE1-NZ 3.24Å; L41-K44 PolarHBondContact O-N 2.92Å; L42-K44 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 3.3Å; K44-R47 PolarHBondContact O-N 2.88Å; K44-A48 PolarHBondContact O-N 2.95Å
45Y97.6Very high96.4Very high85 Ų8557.8 Ų57.833%0.33328%0.283SS..Hα-helixtrans-58.4-53.3178.4174.6-100.8000111.3L41 L42 R47 A48 Y49 I67 V71L41-Y45 VanDerWaalsContact O-CB 3.31Å; L41-Y45 WeakPolarHBondContact O-CB 3.41Å; L41-Y45 PolarHBondContact O-N 3.15Å; L42-Y45 HydrophobicContact CD1-CD1 4.45Å; L42-Y45 WeakPolarHBondContact O-CB 2.96Å; L42-Y45 PolarHBondContact O-N 3.02Å; Y45-R47 PolarHBondContact O-N 3.01Å; Y45-A48 WeakPolarHBondContact O-CB 3.39Å; Y45-A48 PolarHBondContact O-N 2.95Å; Y45-Y49 HydrophobicContact CD1-CE2 4.11Å; Y45-Y49 HydrophobicContact CD2-CE2 4.07Å; Y45-Y49 HydrophobicContact CE1-CD2 4.41Å; Y45-Y49 AromaticContact CE1-CE2 3.64Å; Y45-Y49 HydrophobicContact CE1-CE2 3.64Å; Y45-Y49 AromaticContact CE2-CE2 3.61Å; Y45-Y49 HydrophobicContact CE2-CE2 3.61Å; Y45-Y49 HydrophobicContact CG-CE2 4.31Å; Y45-Y49 AromaticContact CZ-CE2 3.38Å; Y45-Y49 AromaticContact CZ-CZ 3.81Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.3Å; Y45-Y49 PolarHBondContact OH-OH 2.89Å; Y45-I67 HydrophobicContact CD1-CD1 4.44Å; Y45-I67 HydrophobicContact CD1-CG1 4.09Å; Y45-I67 HydrophobicContact CE1-CD1 4.19Å; Y45-I67 HydrophobicContact CE1-CG1 3.53Å; Y45-V71 HydrophobicContact CE1-CG1 3.79Å
46V98.2Very high96.4Very high0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-65.9-40.6179.8178.40000111.6L42 A48 Y49 I50 I67 L74 N182L42-V46 HydrophobicContact CD1-CG2 3.94Å; L42-V46 HydrophobicContact CG-CG2 4.49Å; L42-V46 WeakPolarHBondContact O-CG2 3.34Å; L42-V46 PolarHBondContact O-N 2.7Å; V46-A48 PolarHBondContact O-N 2.94Å; V46-Y49 WeakPolarHBondContact O-CB 3.26Å; V46-Y49 PolarHBondContact O-N 3.31Å; V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 PolarHBondContact O-N 2.91Å; V46-I67 HydrophobicContact CG2-CD1 4.22Å; V46-L74 HydrophobicContact CG1-CD1 3.93Å; V46-N182 VanDerWaalsContact CB-OD1 3.31Å; V46-N182 WeakPolarHBondContact CB-OD1 3.47Å; V46-N182 HydrophobicContact CG1-CB 4.18Å; V46-N182 WeakPolarHBondContact CG1-OD1 3.43Å
47R98.1Very high96.5Very high87 Ų8752.6 Ų52.633%0.32826%0.263SS..Hα-helixtrans-58.5-36.2175.7-76.1-178.1-178.1-164-0.3112.2R43 K44 Y45 Y49 I50 D51 Y179 D183R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.24Å; R43-R47 WeakPolarHBondContact O-CG 3.15Å; R43-R47 PolarHBondContact O-N 3.45Å; K44-R47 PolarHBondContact O-N 2.88Å; Y45-R47 PolarHBondContact O-N 3.01Å; R47-Y49 PolarHBondContact O-N 3.5Å; R47-I50 PolarHBondContact O-N 3.05Å; R47-I50 VanDerWaalsContact O-N 3.12Å; R47-D51 WeakPolarHBondContact O-CB 3.31Å; R47-D51 PolarHBondContact O-N 3.12Å; R47-Y179 HydrophobicContact CB-CE1 4.39Å; R47-Y179 HydrophobicContact CG-CD1 3.93Å; R47-Y179 HydrophobicContact CG-CE1 3.92Å; R47-D183 IonicContact CZ-OD1 3.23Å; R47-D183 IonicContact CZ-OD2 3.98Å; R47-D183 IonicContact NE-OD1 2.74Å; R47-D183 IonicContact NH2-OD1 3.69Å; R47-D183 PolarHBondContact NH2-OD1 3.17Å; R47-D183 IonicContact NH2-OD2 3.78Å; R47-D183 PolarHBondContact NH2-OD2 3.34Å
48A97.9Very high96.7Very high58 Ų5848 Ų4848%0.47924%0.242SC..Hα-helixtrans-59-33.6176.400000112.9K44 Y45 V46 F52K44-A48 PolarHBondContact O-N 2.95Å; Y45-A48 WeakPolarHBondContact O-CB 3.39Å; Y45-A48 PolarHBondContact O-N 2.95Å; V46-A48 PolarHBondContact O-N 2.94Å; A48-F52 WeakPolarHBondContact O-CB 3.18Å; A48-F52 PolarHBondContact O-N 3.03Å
49Y97.6Very high96.8Very high33 Ų3346.9 Ų46.913%0.12923%0.23CC..Hα-helixtrans-72.8-43.9173.5-68.4-86.8000112.3Y45 V46 R47 D51 F52 L56 V71 F75Y45-Y49 HydrophobicContact CD1-CE2 4.11Å; Y45-Y49 HydrophobicContact CD2-CE2 4.07Å; Y45-Y49 HydrophobicContact CE1-CD2 4.41Å; Y45-Y49 AromaticContact CE1-CE2 3.64Å; Y45-Y49 HydrophobicContact CE1-CE2 3.64Å; Y45-Y49 AromaticContact CE2-CE2 3.61Å; Y45-Y49 HydrophobicContact CE2-CE2 3.61Å; Y45-Y49 HydrophobicContact CG-CE2 4.31Å; Y45-Y49 AromaticContact CZ-CE2 3.38Å; Y45-Y49 AromaticContact CZ-CZ 3.81Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.3Å; Y45-Y49 PolarHBondContact OH-OH 2.89Å; V46-Y49 WeakPolarHBondContact O-CB 3.26Å; V46-Y49 PolarHBondContact O-N 3.31Å; R47-Y49 PolarHBondContact O-N 3.5Å; Y49-D51 VanDerWaalsContact C-N 3.25Å; Y49-D51 PolarHBondContact O-N 3.18Å; Y49-F52 PolarHBondContact O-N 3.01Å; Y49-L56 HydrophobicContact CD1-CD2 3.6Å; Y49-L56 HydrophobicContact CE1-CD2 4.18Å; Y49-V71 HydrophobicContact CD2-CB 4.38Å; Y49-V71 HydrophobicContact CD2-CG1 4.21Å; Y49-V71 HydrophobicContact CE1-CG2 4.39Å; Y49-V71 HydrophobicContact CE2-CB 4.42Å; Y49-V71 HydrophobicContact CE2-CG1 4.25Å; Y49-V71 HydrophobicContact CG-CB 4.48Å; Y49-F75 HydrophobicContact CD1-CD2 4.47Å; Y49-F75 AromaticContact CD1-CE2 3.77Å; Y49-F75 HydrophobicContact CD1-CE2 3.77Å; Y49-F75 HydrophobicContact CD1-CZ 4.27Å; Y49-F75 AromaticContact CE1-CE2 3.56Å; Y49-F75 HydrophobicContact CE1-CE2 3.56Å; Y49-F75 AromaticContact CE1-CZ 3.74Å; Y49-F75 HydrophobicContact CE1-CZ 3.74Å
50I97.8Very high96.8Very high3 Ų346.8 Ų46.82%0.01523%0.229CC..Hα-helixtrans-59.2-40.9177.6-61.9168.4000110.5V46 R47 L74 K175 L178 Y179 N182V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 PolarHBondContact O-N 2.91Å; R47-I50 PolarHBondContact O-N 3.05Å; R47-I50 VanDerWaalsContact O-N 3.12Å; I50-L74 HydrophobicContact CG1-CD1 4.1Å; I50-L74 HydrophobicContact CG1-CD2 4.36Å; I50-K175 HydrophobicContact CG2-CG 3.91Å; I50-L178 HydrophobicContact CD1-CB 3.81Å; I50-L178 HydrophobicContact CG1-CB 4.11Å; I50-L178 HydrophobicContact CG2-CB 4.21Å; I50-L178 HydrophobicContact CG2-CD1 4.44Å; I50-Y179 HydrophobicContact CB-CE1 4.14Å; I50-Y179 HydrophobicContact CD1-CD1 3.9Å; I50-Y179 HydrophobicContact CD1-CE1 4.29Å; I50-Y179 HydrophobicContact CG2-CD1 4.05Å; I50-Y179 HydrophobicContact CG2-CE1 3.67Å; I50-N182 HydrophobicContact CD1-CB 4.47Å
51D96.8Very high96.6Very high65 Ų6543.8 Ų43.835%0.34822%0.215SC..THydrogen-bonded Turntrans-85-8.3-175.8-81.4-53.5000115.1R47 Y49 P53 K175 Y179R47-D51 WeakPolarHBondContact O-CB 3.31Å; R47-D51 PolarHBondContact O-N 3.12Å; Y49-D51 VanDerWaalsContact C-N 3.25Å; Y49-D51 PolarHBondContact O-N 3.18Å; D51-P53 WeakPolarHBondContact O-CD 3.43Å; D51-P53 VanDerWaalsContact O-N 3.13Å; D51-K175 WeakPolarHBondContact OD1-CE 3.24Å; D51-K175 IonicContact OD1-NZ 3.34Å; D51-K175 PolarHBondContact OD1-NZ 3.38Å; D51-Y179 PolarHBondContact OD1-OH 2.67Å; D51-Y179 PolarHBondContact OD2-OH 2.93Å
52F96.3Very high96.5Very high57 Ų5737.8 Ų37.825%0.2518%0.184CC..  trans-64.7117.5-168.3-161.9-108.4000111.7F5 A48 Y49 K54 L56 K167F5-F52 HydrophobicContact CB-CD1 4.4Å; F5-F52 HydrophobicContact CB-CE1 3.38Å; F5-F52 HydrophobicContact CB-CZ 3.46Å; F5-F52 VanDerWaalsContact CB-CZ 3.46Å; F5-F52 HydrophobicContact CD2-CZ 4.21Å; F5-F52 HydrophobicContact CG-CE1 4.3Å; F5-F52 HydrophobicContact CG-CZ 4.06Å; A48-F52 WeakPolarHBondContact O-CB 3.18Å; A48-F52 PolarHBondContact O-N 3.03Å; Y49-F52 PolarHBondContact O-N 3.01Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 HydrophobicContact CD1-CB 4.34Å; F52-K54 WeakPolarHBondContact CD1-O 3.45Å; F52-K54 HydrophobicContact CE1-CB 3.76Å; F52-K54 HydrophobicContact CZ-CB 4.4Å; F52-K54 PolarHBondContact O-N 3.13Å; F52-L56 HydrophobicContact CD1-CB 4.26Å; F52-L56 HydrophobicContact CD1-CD1 4.14Å; F52-L56 HydrophobicContact CE1-CD1 4.32Å; F52-K167 WeakPolarHBondContact O-CE 3.2Å; F52-K167 PolarHBondContact O-NZ 3.29Å
53P94.1Very high96.5Very high89 Ų8938.8 Ų38.858%0.57819%0.191SC*.  trans-82.6-5.8-164.631.8-36.7000114.2D51 A164D51-P53 WeakPolarHBondContact O-CD 3.43Å; D51-P53 VanDerWaalsContact O-N 3.13Å; P53-A164 WeakPolarHBondContact O-CB 3.46Å
54K93.2Very high96.4Very high81 Ų8135.4 Ų35.435%0.35218%0.178SC..SBendtrans-116.1156.5-178-61.7179-178.4-175.60110.2V2 F52 L56 K167V2-K54 PolarHBondContact O-NZ 3.4Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 HydrophobicContact CD1-CB 4.34Å; F52-K54 WeakPolarHBondContact CD1-O 3.45Å; F52-K54 HydrophobicContact CE1-CB 3.76Å; F52-K54 HydrophobicContact CZ-CB 4.4Å; F52-K54 PolarHBondContact O-N 3.13Å; K54-L56 PolarHBondContact O-N 3.22Å; K54-K167 VanDerWaalsContact C-CD 3.49Å; K54-K167 VanDerWaalsContact O-CD 3.26Å; K54-K167 WeakPolarHBondContact O-CD 3.22Å; K54-K167 WeakPolarHBondContact O-CE 3.42Å; K54-K167 PolarHBondContact O-NZ 3.28Å
55P95Very high96.3Very high19 Ų1931.2 Ų31.212%0.12316%0.163CC..  trans-47.2135.8168.4-28.232.9000112.6C3 C4 F5 D76 L163C3-P55 WeakPolarHBondContact O-CD 3.49Å; C4-P55 CarbonylContact C-O 3.56Å; C4-P55 WeakPolarHBondContact CA-O 3.5Å; C4-P55 HydrophobicContact CB-CB 4.47Å; F5-P55 PolarHBondContact N-O 3.22Å; P55-D76 VanDerWaalsContact CA-OD2 3.3Å; P55-D76 WeakPolarHBondContact CA-OD2 3.32Å; P55-L163 HydrophobicContact CG-CB 3.83Å; P55-L163 HydrophobicContact CG-CD1 4.32Å; P55-L163 HydrophobicContact CG-CD2 4.46Å; P55-L163 HydrophobicContact CG-CG 4.45Å
56L95.6Very high96.2Very high2 Ų227.5 Ų27.51%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-120.7116.3-174.3-176.168.4000108.3F5 Y49 F52 K54 F75 D76 L77F5-L56 HydrophobicContact CB-CD1 3.74Å; F5-L56 HydrophobicContact CD1-CD1 3.36Å; F5-L56 HydrophobicContact CE1-CD1 4.32Å; F5-L56 HydrophobicContact CG-CD1 3.93Å; Y49-L56 HydrophobicContact CD1-CD2 3.6Å; Y49-L56 HydrophobicContact CE1-CD2 4.18Å; F52-L56 HydrophobicContact CD1-CB 4.26Å; F52-L56 HydrophobicContact CD1-CD1 4.14Å; F52-L56 HydrophobicContact CE1-CD1 4.32Å; K54-L56 PolarHBondContact O-N 3.22Å; L56-F75 HydrophobicContact CB-CD1 4.37Å; L56-F75 HydrophobicContact CD1-CD1 4.33Å; L56-F75 HydrophobicContact CD1-CE1 3.94Å; L56-F75 HydrophobicContact CD1-CZ 4.37Å; L56-F75 HydrophobicContact CD2-CB 4.45Å; L56-F75 HydrophobicContact CD2-CD1 3.74Å; L56-F75 HydrophobicContact CD2-CD2 3.7Å; L56-F75 HydrophobicContact CD2-CE1 3.8Å; L56-F75 HydrophobicContact CD2-CE2 3.78Å; L56-F75 HydrophobicContact CD2-CG 3.71Å; L56-F75 HydrophobicContact CD2-CZ 3.84Å; L56-F75 HydrophobicContact CG-CD1 3.45Å; L56-F75 VanDerWaalsContact CG-CD1 3.45Å; L56-F75 HydrophobicContact CG-CD2 4.35Å; L56-F75 HydrophobicContact CG-CE1 3.53Å; L56-F75 HydrophobicContact CG-CE2 4.44Å; L56-F75 HydrophobicContact CG-CG 3.9Å; L56-F75 HydrophobicContact CG-CZ 4.07Å; L56-D76 WeakPolarHBondContact CB-OD2 3.24Å; L56-D76 PolarHBondContact N-OD2 3.3Å; L56-D76 PolarHBondContact O-N 2.87Å; L56-L77 PolarHBondContact O-N 3.23Å
57V97.1Very high96.1Very high2 Ų227.9 Ų27.91%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-118.3125.5-176.9-1730000109.9C4 F5 S7 V59 L77 Y79 L152C4-V57 HydrophobicContact CB-CG2 4.31Å; F5-V57 PolarHBondContact O-N 2.74Å; S7-V57 PolarHBondContact N-O 3.05Å; V57-V59 HydrophobicContact CG1-CG2 4.44Å; V57-L77 CarbonylContact C-O 3.57Å; V57-L77 VanDerWaalsContact CA-O 3.31Å; V57-L77 WeakPolarHBondContact CA-O 3.46Å; V57-L77 HydrophobicContact CB-CB 4.49Å; V57-L77 HydrophobicContact CG1-CB 4.02Å; V57-L77 HydrophobicContact CG2-CB 4.14Å; V57-L77 HydrophobicContact CG2-CD1 4.2Å; V57-Y79 HydrophobicContact CG1-CD2 3.94Å; V57-Y79 HydrophobicContact CG1-CE2 4.05Å; V57-L152 HydrophobicContact CB-CD2 4.18Å; V57-L152 HydrophobicContact CG1-CD2 3.97Å; V57-L152 HydrophobicContact CG2-CD2 4.18Å
58A97.1Very high95.9Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-94.6137.1172.900000109.4V60 L72 F75 L77 I78 Y79A58-V60 HydrophobicContact CB-CG2 4.24Å; A58-L72 HydrophobicContact CB-CD2 3.62Å; A58-F75 HydrophobicContact CB-CD1 3.38Å; A58-F75 HydrophobicContact CB-CE1 3.46Å; A58-F75 VanDerWaalsContact CB-CE1 3.46Å; A58-F75 HydrophobicContact CB-CG 4.11Å; A58-F75 HydrophobicContact CB-CZ 4.21Å; A58-L77 PolarHBondContact N-O 2.86Å; A58-I78 HydrophobicContact CB-CB 4.29Å; A58-I78 HydrophobicContact CB-CG1 4.05Å; A58-I78 HydrophobicContact CB-CG2 3.95Å; A58-Y79 PolarHBondContact O-N 3.16Å
59V96.8Very high95.9Very high1 Ų121.2 Ų21.21%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-12493.91751780000107.5L6 S7 Y14 V57 N61 Y79 F144 V148L6-V59 HydrophobicContact CD1-CB 3.72Å; L6-V59 HydrophobicContact CD1-CG2 3.17Å; S7-V59 PolarHBondContact O-N 3.49Å; Y14-V59 WeakPolarHBondContact CE2-O 3.34Å; V57-V59 HydrophobicContact CG1-CG2 4.44Å; V59-N61 PolarHBondContact O-N 2.79Å; V59-Y79 WeakPolarHBondContact CA-O 3.21Å; V59-F144 HydrophobicContact CB-CZ 4.47Å; V59-F144 HydrophobicContact CG1-CE1 3.68Å; V59-F144 HydrophobicContact CG1-CE2 4.25Å; V59-F144 HydrophobicContact CG1-CZ 3.42Å; V59-F144 VanDerWaalsContact CG1-CZ 3.42Å; V59-V148 HydrophobicContact CB-CG1 4.42Å; V59-V148 HydrophobicContact CG1-CG1 3.97Å; V59-V148 HydrophobicContact CG2-CG1 3.48Å; V59-V148 VanDerWaalsContact CG2-CG1 3.48Å
60V96.8Very high95.9Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-92.397.1-170.7-1740000109.4Y14 A58 G62 A64 L72 I78 Y79 A80 T81 A84 F86 F144Y14-V60 HydrophobicContact CD1-CG1 4.19Å; Y14-V60 HydrophobicContact CD1-CG2 4.42Å; Y14-V60 HydrophobicContact CD2-CB 4.32Å; Y14-V60 HydrophobicContact CD2-CG1 4.27Å; Y14-V60 HydrophobicContact CD2-CG2 4.34Å; Y14-V60 HydrophobicContact CE1-CG2 4.34Å; Y14-V60 HydrophobicContact CE2-CG2 4.26Å; Y14-V60 HydrophobicContact CG-CB 4.36Å; Y14-V60 HydrophobicContact CG-CG1 3.84Å; Y14-V60 HydrophobicContact CG-CG2 4.41Å; A58-V60 HydrophobicContact CB-CG2 4.24Å; V60-G62 VanDerWaalsContact C-N 3.34Å; V60-G62 WeakPolarHBondContact CG1-O 3.47Å; V60-G62 PolarHBondContact O-N 3.4Å; V60-A64 HydrophobicContact CG1-CB 4.27Å; V60-L72 HydrophobicContact CG2-CD1 4.49Å; V60-L72 HydrophobicContact CG2-CD2 4.43Å; V60-I78 HydrophobicContact CG2-CG2 4.07Å; V60-Y79 PolarHBondContact N-O 2.86Å; V60-A80 HydrophobicContact CB-CB 4.2Å; V60-A80 WeakPolarHBondContact O-CA 3.33Å; V60-T81 PolarHBondContact O-N 2.95Å; V60-A84 HydrophobicContact CG1-CB 4.01Å; V60-F86 HydrophobicContact CB-CE1 4.38Å; V60-F86 HydrophobicContact CB-CZ 4.28Å; V60-F86 HydrophobicContact CG1-CE1 3.82Å; V60-F86 HydrophobicContact CG1-CZ 3.84Å; V60-F86 HydrophobicContact CG2-CE1 4.24Å; V60-F144 WeakPolarHBondContact O-CZ 3.26Å
61N93.8Very high95.9Very high6 Ų619.6 Ų19.63%0.03211%0.11CC..  trans-855-175.365-56.5000114.7G9 G11 V59 T81 R83 F144G9-N61 WeakPolarHBondContact CA-OD1 3.43Å; G9-N61 PolarHBondContact N-OD1 3.25Å; G9-N61 PolarHBondContact O-ND2 2.94Å; G9-N61 VanDerWaalsContact O-ND2 3.07Å; G9-N61 PolarHBondContact O-OD1 3.44Å; G11-N61 PolarHBondContact O-ND2 3.27Å; V59-N61 PolarHBondContact O-N 2.79Å; N61-T81 VanDerWaalsContact O-CG2 3.31Å; N61-T81 WeakPolarHBondContact O-CG2 3.39Å; N61-R83 VanDerWaalsContact O-CZ 3.27Å; N61-R83 PolarHBondContact O-NE 3.35Å; N61-R83 PolarHBondContact O-NH2 2.92Å; N61-F144 HydrophobicContact CB-CD1 4.46Å; N61-F144 HydrophobicContact CB-CE1 3.85Å
62G94.1Very high96Very high0 Ų016.6 Ų16.60%09%0.093CC..SBendtrans177.3-165.5-175.800000113V60 A64 A84V60-G62 VanDerWaalsContact C-N 3.34Å; V60-G62 WeakPolarHBondContact CG1-O 3.47Å; V60-G62 PolarHBondContact O-N 3.4Å; G62-A64 PolarHBondContact O-N 3.21Å; G62-A84 WeakPolarHBondContact O-CB 3.23Å
63P96.1Very high96.1Very high31 Ų3114.4 Ų14.420%0.2019%0.087CC..  trans-57136.3178.4-24.434.8000112.6D12 F13 Y14 T85D12-P63 WeakPolarHBondContact O-CD 3.44Å; F13-P63 HydrophobicContact CD1-CB 3.81Å; F13-P63 HydrophobicContact CD1-CG 4Å; F13-P63 HydrophobicContact CE1-CB 4.04Å; F13-P63 HydrophobicContact CE1-CG 4Å; Y14-P63 PolarHBondContact N-O 3.32Å; P63-T85 WeakPolarHBondContact CB-OG1 3.26Å
64A96.2Very high96.3Very high0 Ų010.2 Ų10.20%06%0.06CC..EExtended strand (participates in β ladder)trans-126.1136.5178.300000109.9Y14 C15 V60 G62 V69 T85 F86 H87Y14-A64 HydrophobicContact CD1-CB 3.88Å; C15-A64 CarbonylContact O-C 3.55Å; C15-A64 WeakPolarHBondContact O-CA 3.35Å; V60-A64 HydrophobicContact CG1-CB 4.27Å; G62-A64 PolarHBondContact O-N 3.21Å; A64-V69 HydrophobicContact CB-CG2 3.64Å; A64-V69 WeakPolarHBondContact O-CG2 3.03Å; A64-T85 PolarHBondContact N-O 3.38Å; A64-F86 HydrophobicContact CB-CD1 4.17Å; A64-F86 HydrophobicContact CB-CE1 4.37Å; A64-H87 PolarHBondContact O-N 2.71Å; A64-H87 VanDerWaalsContact O-N 3.11Å
65V95.8Very high96.5Very high36 Ų367.1 Ų7.122%0.2185%0.047CC..EExtended strand (participates in β ladder)trans-135.8144.3-174.8-172.70000112.5C15 G17 S68 H87 P89C15-V65 PolarHBondContact O-N 3.05Å; G17-V65 WeakPolarHBondContact CA-O 3.24Å; G17-V65 PolarHBondContact N-O 3.29Å; V65-S68 PolarHBondContact N-OG 3.24Å; V65-S68 PolarHBondContact O-OG 3.23Å; V65-H87 CarbonylContact C-O 3.45Å; V65-H87 VanDerWaalsContact CA-O 3.22Å; V65-H87 WeakPolarHBondContact CA-O 3.36Å; V65-H87 HydrophobicContact CG2-CB 4.46Å; V65-P89 HydrophobicContact CG1-CG 3.89Å
66G95.6Very high96.6Very high8 Ų88.8 Ų8.88%0.0825%0.054CC..THydrogen-bonded Turntrans65.1-134.3168.900000113.2S68 V69 T70 H87G66-S68 PolarHBondContact O-N 2.86Å; G66-V69 WeakPolarHBondContact O-CB 3.48Å; G66-V69 PolarHBondContact O-N 3.05Å; G66-T70 PolarHBondContact O-N 3.47Å; G66-H87 PolarHBondContact N-O 3.38Å
67I95.6Very high96.7Very high8 Ų811 Ų114%0.0417%0.066CC..Hα-helixtrans-48.1-40.4-178.7-170.262.4000112.8N18 L42 Y45 V46 V69 T70 V71 E98N18-I67 WeakPolarHBondContact OD1-CG2 3.08Å; L42-I67 HydrophobicContact CD1-CD1 3.69Å; L42-I67 HydrophobicContact CD1-CG1 4.24Å; Y45-I67 HydrophobicContact CD1-CD1 4.44Å; Y45-I67 HydrophobicContact CD1-CG1 4.09Å; Y45-I67 HydrophobicContact CE1-CD1 4.19Å; Y45-I67 HydrophobicContact CE1-CG1 3.53Å; V46-I67 HydrophobicContact CG2-CD1 4.22Å; I67-V69 PolarHBondContact O-N 2.93Å; I67-V69 VanDerWaalsContact O-N 3.16Å; I67-T70 VanDerWaalsContact CA-OG1 3.28Å; I67-T70 WeakPolarHBondContact CA-OG1 3.24Å; I67-T70 PolarHBondContact O-N 3.42Å; I67-T70 VanDerWaalsContact O-N 3.09Å; I67-T70 PolarHBondContact O-OG1 2.88Å; I67-V71 HydrophobicContact CD1-CG1 3.85Å; I67-V71 HydrophobicContact CG1-CG1 4.09Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 3.2Å; I67-E98 WeakPolarHBondContact CA-OE1 3.4Å; I67-E98 VanDerWaalsContact CB-OE1 3.24Å; I67-E98 WeakPolarHBondContact CB-OE1 3.43Å; I67-E98 HydrophobicContact CD1-CB 4.4Å; I67-E98 HydrophobicContact CD1-CG 3.75Å; I67-E98 PolarHBondContact N-OE1 3.46Å
68S94.6Very high96.7Very high4 Ų411.2 Ų11.23%0.0287%0.067CC..Hα-helixtrans-62.3-24.8-178.1710000114C15 V65 G66 L72C15-S68 VanDerWaalsContact CB-CB 3.48Å; C15-S68 PolarHBondContact O-OG 3.12Å; V65-S68 PolarHBondContact N-OG 3.24Å; V65-S68 PolarHBondContact O-OG 3.23Å; G66-S68 PolarHBondContact O-N 2.86Å; S68-L72 WeakPolarHBondContact O-CG 3.41Å
69V97.9Very high96.8Very high0 Ų011.4 Ų11.40%07%0.068CC..Hα-helixtrans-86.4-44.5174.2-1800000110.1A64 G66 I67 V71 L72 F86 T88 F105 M117A64-V69 HydrophobicContact CB-CG2 3.64Å; A64-V69 WeakPolarHBondContact O-CG2 3.03Å; G66-V69 WeakPolarHBondContact O-CB 3.48Å; G66-V69 PolarHBondContact O-N 3.05Å; I67-V69 PolarHBondContact O-N 2.93Å; I67-V69 VanDerWaalsContact O-N 3.16Å; V69-V71 PolarHBondContact O-N 2.91Å; V69-L72 WeakPolarHBondContact O-CB 3.35Å; V69-L72 WeakPolarHBondContact O-CG 3.33Å; V69-L72 PolarHBondContact O-N 2.95Å; V69-L72 VanDerWaalsContact O-N 3.11Å; V69-F86 HydrophobicContact CG1-CB 3.94Å; V69-F86 HydrophobicContact CG1-CD1 4.17Å; V69-F86 HydrophobicContact CG2-CB 4.42Å; V69-F86 HydrophobicContact CG2-CD1 4.31Å; V69-T88 HydrophobicContact CB-CG2 4.12Å; V69-T88 HydrophobicContact CG1-CG2 4.11Å; V69-F105 HydrophobicContact CG1-CZ 4.2Å; V69-M117 HydrophobicContact CG1-CE 3.42Å; V69-M117 VanDerWaalsContact CG1-CE 3.42Å
70T98.3Very high96.8Very high0 Ų011.4 Ų11.40%07%0.067CC..Hα-helixtrans-64-39.6-176.655.40000113.2G66 I67 L72 G73 T88 F90 E98 S101 F105G66-T70 PolarHBondContact O-N 3.47Å; I67-T70 VanDerWaalsContact CA-OG1 3.28Å; I67-T70 WeakPolarHBondContact CA-OG1 3.24Å; I67-T70 PolarHBondContact O-N 3.42Å; I67-T70 VanDerWaalsContact O-N 3.09Å; I67-T70 PolarHBondContact O-OG1 2.88Å; T70-L72 PolarHBondContact O-N 3.26Å; T70-G73 PolarHBondContact O-N 3.12Å; T70-G73 VanDerWaalsContact O-N 3.16Å; T70-T88 HydrophobicContact CG2-CG2 3.76Å; T70-F90 HydrophobicContact CG2-CE2 3.65Å; T70-F90 HydrophobicContact CG2-CZ 3.5Å; T70-E98 VanDerWaalsContact CB-O 3.3Å; T70-E98 WeakPolarHBondContact CB-O 3.43Å; T70-S101 WeakPolarHBondContact CG2-OG 3.38Å; T70-F105 HydrophobicContact CG2-CZ 4.4Å
71V98Very high96.9Very high3 Ų311.4 Ų11.42%0.0187%0.067CC..G310 helixtrans-67.6-16.6177.4-62.40000112.8Y45 Y49 I67 V69 G73 L74 F75Y45-V71 HydrophobicContact CE1-CG1 3.79Å; Y49-V71 HydrophobicContact CD2-CB 4.38Å; Y49-V71 HydrophobicContact CD2-CG1 4.21Å; Y49-V71 HydrophobicContact CE1-CG2 4.39Å; Y49-V71 HydrophobicContact CE2-CB 4.42Å; Y49-V71 HydrophobicContact CE2-CG1 4.25Å; Y49-V71 HydrophobicContact CG-CB 4.48Å; I67-V71 HydrophobicContact CD1-CG1 3.85Å; I67-V71 HydrophobicContact CG1-CG1 4.09Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 3.2Å; V69-V71 PolarHBondContact O-N 2.91Å; V71-G73 PolarHBondContact O-N 2.92Å; V71-L74 WeakPolarHBondContact O-CA 3.34Å; V71-L74 VanDerWaalsContact O-CB 3.31Å; V71-L74 WeakPolarHBondContact O-CB 3.31Å; V71-L74 PolarHBondContact O-N 3.23Å; V71-F75 HydrophobicContact CG2-CE2 4.17Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.45Å
72L98.3Very high97Very high1 Ų116.9 Ų16.91%0.0059%0.093CC..G310 helixtrans-57.3-31.8173-61176.9000111.3A58 V60 S68 V69 T70 L74 F75 I78 F86 L134A58-L72 HydrophobicContact CB-CD2 3.62Å; V60-L72 HydrophobicContact CG2-CD1 4.49Å; V60-L72 HydrophobicContact CG2-CD2 4.43Å; S68-L72 WeakPolarHBondContact O-CG 3.41Å; V69-L72 WeakPolarHBondContact O-CB 3.35Å; V69-L72 WeakPolarHBondContact O-CG 3.33Å; V69-L72 PolarHBondContact O-N 2.95Å; V69-L72 VanDerWaalsContact O-N 3.11Å; T70-L72 PolarHBondContact O-N 3.26Å; L72-L74 PolarHBondContact O-N 3.01Å; L72-F75 HydrophobicContact CD2-CD2 4.24Å; L72-F75 HydrophobicContact CD2-CE2 4.26Å; L72-F75 WeakPolarHBondContact O-CB 3.48Å; L72-F75 PolarHBondContact O-N 3.12Å; L72-I78 HydrophobicContact CB-CD1 3.75Å; L72-I78 HydrophobicContact CB-CG1 4.36Å; L72-I78 HydrophobicContact CD1-CG2 4.44Å; L72-I78 HydrophobicContact CD2-CG1 4.32Å; L72-I78 HydrophobicContact CD2-CG2 4.32Å; L72-I78 WeakPolarHBondContact O-CD1 3.31Å; L72-F86 HydrophobicContact CD1-CD1 3.84Å; L72-F86 HydrophobicContact CD1-CE1 3.63Å; L72-L134 HydrophobicContact CB-CD1 4.18Å
73G97.9Very high97.1Very high12 Ų1222 Ų2212%0.12411%0.112CC..G310 helixtrans-60.7-8.517300000114.9T70 V71T70-G73 PolarHBondContact O-N 3.12Å; T70-G73 VanDerWaalsContact O-N 3.16Å; V71-G73 PolarHBondContact O-N 2.92Å
74L98.1Very high97.2Very high0 Ų020.5 Ų20.50%010%0.102CC..G310 helixtrans-104.8-5.6175.7-54.6175.3000113.3V46 I50 V71 L72 C100 T104 R171 L178V46-L74 HydrophobicContact CG1-CD1 3.93Å; I50-L74 HydrophobicContact CG1-CD1 4.1Å; I50-L74 HydrophobicContact CG1-CD2 4.36Å; V71-L74 WeakPolarHBondContact O-CA 3.34Å; V71-L74 VanDerWaalsContact O-CB 3.31Å; V71-L74 WeakPolarHBondContact O-CB 3.31Å; V71-L74 PolarHBondContact O-N 3.23Å; L72-L74 PolarHBondContact O-N 3.01Å; L74-C100 HydrophobicContact CD2-CB 4.27Å; L74-T104 HydrophobicContact CD2-CG2 4.08Å; L74-R171 PolarHBondContact O-NH2 2.94Å; L74-L178 HydrophobicContact CD2-CD1 4.2Å; L74-L178 HydrophobicContact CD2-CD2 3.93Å
75F98Very high97.3Very high17 Ų1722 Ų228%0.07511%0.112CC..  trans-77.2158.1176.5-78.6-115.7000111.2Y49 L56 A58 V71 L72 I78Y49-F75 HydrophobicContact CD1-CD2 4.47Å; Y49-F75 AromaticContact CD1-CE2 3.77Å; Y49-F75 HydrophobicContact CD1-CE2 3.77Å; Y49-F75 HydrophobicContact CD1-CZ 4.27Å; Y49-F75 AromaticContact CE1-CE2 3.56Å; Y49-F75 HydrophobicContact CE1-CE2 3.56Å; Y49-F75 AromaticContact CE1-CZ 3.74Å; Y49-F75 HydrophobicContact CE1-CZ 3.74Å; L56-F75 HydrophobicContact CB-CD1 4.37Å; L56-F75 HydrophobicContact CD1-CD1 4.33Å; L56-F75 HydrophobicContact CD1-CE1 3.94Å; L56-F75 HydrophobicContact CD1-CZ 4.37Å; L56-F75 HydrophobicContact CD2-CB 4.45Å; L56-F75 HydrophobicContact CD2-CD1 3.74Å; L56-F75 HydrophobicContact CD2-CD2 3.7Å; L56-F75 HydrophobicContact CD2-CE1 3.8Å; L56-F75 HydrophobicContact CD2-CE2 3.78Å; L56-F75 HydrophobicContact CD2-CG 3.71Å; L56-F75 HydrophobicContact CD2-CZ 3.84Å; L56-F75 HydrophobicContact CG-CD1 3.45Å; L56-F75 VanDerWaalsContact CG-CD1 3.45Å; L56-F75 HydrophobicContact CG-CD2 4.35Å; L56-F75 HydrophobicContact CG-CE1 3.53Å; L56-F75 HydrophobicContact CG-CE2 4.44Å; L56-F75 HydrophobicContact CG-CG 3.9Å; L56-F75 HydrophobicContact CG-CZ 4.07Å; A58-F75 HydrophobicContact CB-CD1 3.38Å; A58-F75 HydrophobicContact CB-CE1 3.46Å; A58-F75 VanDerWaalsContact CB-CE1 3.46Å; A58-F75 HydrophobicContact CB-CG 4.11Å; A58-F75 HydrophobicContact CB-CZ 4.21Å; V71-F75 HydrophobicContact CG2-CE2 4.17Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.45Å; L72-F75 HydrophobicContact CD2-CD2 4.24Å; L72-F75 HydrophobicContact CD2-CE2 4.26Å; L72-F75 WeakPolarHBondContact O-CB 3.48Å; L72-F75 PolarHBondContact O-N 3.12Å; F75-I78 HydrophobicContact CB-CD1 4.21Å; F75-I78 HydrophobicContact CB-CG1 3.77Å; F75-I78 HydrophobicContact CG-CG1 4.42Å
76D97.1Very high97.4Very high53 Ų5320.2 Ų20.228%0.28310%0.101SC..SBendtrans-91.9-31.5177.1-51.3-65.3000111.3P55 L56 K167P55-D76 VanDerWaalsContact CA-OD2 3.3Å; P55-D76 WeakPolarHBondContact CA-OD2 3.32Å; L56-D76 WeakPolarHBondContact CB-OD2 3.24Å; L56-D76 PolarHBondContact N-OD2 3.3Å; L56-D76 PolarHBondContact O-N 2.87Å; D76-K167 WeakPolarHBondContact OD1-CE 3.2Å; D76-K167 IonicContact OD1-NZ 2.65Å; D76-K167 WeakPolarHBondContact OD2-CD 3.49Å; D76-K167 VanDerWaalsContact OD2-CE 3.26Å; D76-K167 WeakPolarHBondContact OD2-CE 3.37Å; D76-K167 IonicContact OD2-NZ 2.8Å; D76-K167 PolarHBondContact OD2-NZ 3.42Å
77L96.8Very high97.5Very high48 Ų4821.3 Ų21.325%0.25110%0.104SC..EExtended strand (participates in β ladder)trans-142.1143.1172.9-61.2172.1000110.2L56 V57 A58 T136 Y155L56-L77 PolarHBondContact O-N 3.23Å; V57-L77 CarbonylContact C-O 3.57Å; V57-L77 VanDerWaalsContact CA-O 3.31Å; V57-L77 WeakPolarHBondContact CA-O 3.46Å; V57-L77 HydrophobicContact CB-CB 4.49Å; V57-L77 HydrophobicContact CG1-CB 4.02Å; V57-L77 HydrophobicContact CG2-CB 4.14Å; V57-L77 HydrophobicContact CG2-CD1 4.2Å; A58-L77 PolarHBondContact N-O 2.86Å; L77-T136 HydrophobicContact CD2-CG2 3.94Å; L77-Y155 HydrophobicContact CD1-CD2 4.41Å; L77-Y155 HydrophobicContact CD1-CE2 3.83Å
78I98.3Very high97.6Very high8 Ų820.9 Ų20.94%0.04110%0.102CC..EExtended strand (participates in β ladder)trans-134.6116.8177.3-56.4147.7000108.7A58 V60 L72 F75 L134 I135 T136A58-I78 HydrophobicContact CB-CB 4.29Å; A58-I78 HydrophobicContact CB-CG1 4.05Å; A58-I78 HydrophobicContact CB-CG2 3.95Å; V60-I78 HydrophobicContact CG2-CG2 4.07Å; L72-I78 HydrophobicContact CB-CD1 3.75Å; L72-I78 HydrophobicContact CB-CG1 4.36Å; L72-I78 HydrophobicContact CD1-CG2 4.44Å; L72-I78 HydrophobicContact CD2-CG1 4.32Å; L72-I78 HydrophobicContact CD2-CG2 4.32Å; L72-I78 WeakPolarHBondContact O-CD1 3.31Å; F75-I78 HydrophobicContact CB-CD1 4.21Å; F75-I78 HydrophobicContact CB-CG1 3.77Å; F75-I78 HydrophobicContact CG-CG1 4.42Å; I78-L134 HydrophobicContact CD1-CD1 4.46Å; I78-L134 WeakPolarHBondContact CD1-O 3.38Å; I78-I135 HydrophobicContact CB-CD1 4.27Å; I78-I135 HydrophobicContact CG2-CD1 3.42Å; I78-I135 VanDerWaalsContact CG2-CD1 3.42Å; I78-I135 WeakPolarHBondContact O-CG2 3.42Å; I78-T136 PolarHBondContact N-OG1 2.92Å; I78-T136 WeakPolarHBondContact O-CA 3.3Å; I78-T136 VanDerWaalsContact O-CB 3.24Å; I78-T136 WeakPolarHBondContact O-CB 3.48Å; I78-T136 PolarHBondContact O-N 3.43Å; I78-T136 PolarHBondContact O-OG1 3.33Å
79Y98.3Very high97.6Very high4 Ų421.4 Ų21.42%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-106.1138.6173.2-62.1-47.2000109.8V57 A58 V59 V60 T136 E137 F139 V148 Y155V57-Y79 HydrophobicContact CG1-CD2 3.94Å; V57-Y79 HydrophobicContact CG1-CE2 4.05Å; A58-Y79 PolarHBondContact O-N 3.16Å; V59-Y79 WeakPolarHBondContact CA-O 3.21Å; V60-Y79 PolarHBondContact N-O 2.86Å; Y79-T136 HydrophobicContact CE1-CG2 4.14Å; Y79-E137 HydrophobicContact CD1-CB 3.83Å; Y79-E137 HydrophobicContact CE1-CB 3.95Å; Y79-F139 AromaticContact CD1-CE2 3.63Å; Y79-F139 HydrophobicContact CD1-CE2 3.63Å; Y79-F139 HydrophobicContact CD1-CZ 4.17Å; Y79-F139 HydrophobicContact CE1-CE2 4.36Å; Y79-F139 HydrophobicContact CE1-CZ 4.48Å; Y79-F139 AromaticContact CG-CE2 3.86Å; Y79-F139 HydrophobicContact CG-CE2 3.86Å; Y79-V148 HydrophobicContact CD2-CG1 4.04Å; Y79-V148 HydrophobicContact CD2-CG2 4.13Å; Y79-V148 HydrophobicContact CG-CG2 4.16Å; Y79-Y155 PolarHBondContact OH-OH 3.34Å; Y79-Y155 VanDerWaalsContact OH-OH 3.05Å
80A97.9Very high97.4Very high0 Ų021.6 Ų21.60%011%0.106CC..EExtended strand (participates in β ladder)trans-132.1147.4179.400000111.7V60 A84 F86 A126 I135 E137 V138 F139V60-A80 HydrophobicContact CB-CB 4.2Å; V60-A80 WeakPolarHBondContact O-CA 3.33Å; A80-A84 HydrophobicContact CB-CB 4.05Å; A80-F86 HydrophobicContact CB-CE2 4.48Å; A80-F86 HydrophobicContact CB-CZ 4.03Å; A80-A126 HydrophobicContact CB-CB 4.33Å; A80-I135 HydrophobicContact CB-CG2 3.86Å; A80-E137 PolarHBondContact N-O 3.1Å; A80-E137 VanDerWaalsContact N-O 3.12Å; A80-V138 CarbonylContact O-C 3.57Å; A80-V138 VanDerWaalsContact O-CA 3.29Å; A80-V138 WeakPolarHBondContact O-CA 3.44Å; A80-F139 PolarHBondContact O-N 3Å
81T97.6Very high97.1Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-72.7152.2161.8176.80000109.8V60 N61 R83 A84 A126 F139 D141V60-T81 PolarHBondContact O-N 2.95Å; N61-T81 VanDerWaalsContact O-CG2 3.31Å; N61-T81 WeakPolarHBondContact O-CG2 3.39Å; T81-R83 HydrophobicContact CG2-CG 3.38Å; T81-R83 PolarHBondContact O-N 3.48Å; T81-R83 VanDerWaalsContact O-N 3.15Å; T81-A84 HydrophobicContact CG2-CB 4.17Å; T81-A84 WeakPolarHBondContact O-CB 3.31Å; T81-A84 PolarHBondContact O-N 3.02Å; T81-A126 WeakPolarHBondContact O-CB 3.21Å; T81-F139 CarbonylContact C-O 3.59Å; T81-F139 WeakPolarHBondContact CA-O 3.43Å; T81-D141 WeakPolarHBondContact OG1-CA 2.93Å; T81-D141 WeakPolarHBondContact OG1-CB 3.43Å; T81-D141 PolarHBondContact OG1-OD1 3.29Å
82E97.2Very high96.9Very high121 Ų12130.4 Ų30.457%0.56515%0.151SC*.THydrogen-bonded Turntrans-57.1-27.8177.467.9-173.3167.200113.6A84 V138 F139E82-A84 VanDerWaalsContact C-N 3.25Å; E82-A84 PolarHBondContact O-N 3.35Å; E82-V138 HydrophobicContact CB-CG1 4.07Å; E82-F139 PolarHBondContact N-O 2.82Å
83R96.1Very high96.7Very high107 Ų10731.1 Ų31.140%0.40416%0.155SC..THydrogen-bonded Turntrans-76.7-8.3176.169.2170.1-175.6-125.9-14.3113.9N61 T81 D141N61-R83 VanDerWaalsContact O-CZ 3.27Å; N61-R83 PolarHBondContact O-NE 3.35Å; N61-R83 PolarHBondContact O-NH2 2.92Å; T81-R83 HydrophobicContact CG2-CG 3.38Å; T81-R83 PolarHBondContact O-N 3.48Å; T81-R83 VanDerWaalsContact O-N 3.15Å; R83-D141 IonicContact CZ-OD1 2.91Å; R83-D141 IonicContact CZ-OD2 2.81Å; R83-D141 IonicContact NE-OD1 2.67Å; R83-D141 PolarHBondContact NE-OD1 3.42Å; R83-D141 IonicContact NH1-OD1 3.65Å; R83-D141 PolarHBondContact NH1-OD1 3.36Å; R83-D141 IonicContact NH1-OD2 2.73Å; R83-D141 PolarHBondContact NH1-OD2 3.42Å; R83-D141 IonicContact NH2-OD1 3.22Å; R83-D141 PolarHBondContact NH2-OD1 3.32Å
84A97.5Very high96.6Very high0 Ų030.8 Ų30.80%015%0.151CC..  trans-67.2144.2-179.300000111V60 G62 A80 T81 E82 F86 A126V60-A84 HydrophobicContact CG1-CB 4.01Å; G62-A84 WeakPolarHBondContact O-CB 3.23Å; A80-A84 HydrophobicContact CB-CB 4.05Å; T81-A84 HydrophobicContact CG2-CB 4.17Å; T81-A84 WeakPolarHBondContact O-CB 3.31Å; T81-A84 PolarHBondContact O-N 3.02Å; E82-A84 VanDerWaalsContact C-N 3.25Å; E82-A84 PolarHBondContact O-N 3.35Å; A84-F86 HydrophobicContact CB-CE2 4.02Å; A84-F86 HydrophobicContact CB-CZ 4.06Å; A84-A126 HydrophobicContact CB-CB 4.27Å; A84-A126 PolarHBondContact O-N 3.11Å
85T98.1Very high96.5Very high31 Ų3131.4 Ų31.419%0.1916%0.155CC..EExtended strand (participates in β ladder)trans-133.2150.5172.959.20000109.5P63 A64 K123 L124P63-T85 WeakPolarHBondContact CB-OG1 3.26Å; A64-T85 PolarHBondContact N-O 3.38Å; T85-K123 HydrophobicContact CG2-CD 4.34Å; T85-L124 CarbonylContact C-O 3.47Å; T85-L124 VanDerWaalsContact CA-O 3.29Å; T85-L124 WeakPolarHBondContact CA-O 3.22Å
86F98.4Very high96.5Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-126.4121.1-173.2-59-88.5000108.9V60 A64 V69 L72 A80 A84 M117 K123 L124 A126 A129 I135V60-F86 HydrophobicContact CB-CE1 4.38Å; V60-F86 HydrophobicContact CB-CZ 4.28Å; V60-F86 HydrophobicContact CG1-CE1 3.82Å; V60-F86 HydrophobicContact CG1-CZ 3.84Å; V60-F86 HydrophobicContact CG2-CE1 4.24Å; A64-F86 HydrophobicContact CB-CD1 4.17Å; A64-F86 HydrophobicContact CB-CE1 4.37Å; V69-F86 HydrophobicContact CG1-CB 3.94Å; V69-F86 HydrophobicContact CG1-CD1 4.17Å; V69-F86 HydrophobicContact CG2-CB 4.42Å; V69-F86 HydrophobicContact CG2-CD1 4.31Å; L72-F86 HydrophobicContact CD1-CD1 3.84Å; L72-F86 HydrophobicContact CD1-CE1 3.63Å; A80-F86 HydrophobicContact CB-CE2 4.48Å; A80-F86 HydrophobicContact CB-CZ 4.03Å; A84-F86 HydrophobicContact CB-CE2 4.02Å; A84-F86 HydrophobicContact CB-CZ 4.06Å; F86-M117 HydrophobicContact CB-CE 4.07Å; F86-K123 WeakPolarHBondContact O-CA 3.42Å; F86-L124 HydrophobicContact CB-CB 4.45Å; F86-L124 PolarHBondContact N-O 2.61Å; F86-L124 PolarHBondContact O-N 3.25Å; F86-A126 HydrophobicContact CE2-CB 4.38Å; F86-A129 HydrophobicContact CD2-CB 3.76Å; F86-A129 HydrophobicContact CE2-CB 4.13Å; F86-A129 HydrophobicContact CG-CB 4.41Å; F86-I135 HydrophobicContact CD1-CD1 4.42Å; F86-I135 HydrophobicContact CE1-CD1 3.64Å; F86-I135 HydrophobicContact CE2-CD1 3.87Å; F86-I135 HydrophobicContact CE2-CG1 4Å; F86-I135 HydrophobicContact CZ-CD1 3.32Å; F86-I135 HydrophobicContact CZ-CG1 3.96Å
87H97.7Very high96.5Very high30 Ų3030.6 Ų30.614%0.13916%0.157CC..EExtended strand (participates in β ladder)trans-142.4135-173.3-171.9-147.5000112.3A64 V65 G66 P89 N121 K123A64-H87 PolarHBondContact O-N 2.71Å; A64-H87 VanDerWaalsContact O-N 3.11Å; V65-H87 CarbonylContact C-O 3.45Å; V65-H87 VanDerWaalsContact CA-O 3.22Å; V65-H87 WeakPolarHBondContact CA-O 3.36Å; V65-H87 HydrophobicContact CG2-CB 4.46Å; G66-H87 PolarHBondContact N-O 3.38Å; H87-P89 WeakPolarHBondContact O-CD 3.41Å; H87-N121 PolarHBondContact CD2-O 3.31Å; H87-N121 PolarHBondContact NE2-O 3.29Å; H87-K123 HydrophobicContact CB-CB 4.25Å; H87-K123 HydrophobicContact CB-CG 4.15Å
88T96.9Very high96.5Very high0 Ų028.5 Ų28.50%015%0.145CC..  trans-125.977.4178.6470000110V69 T70 F90 M117 L118 N121V69-T88 HydrophobicContact CB-CG2 4.12Å; V69-T88 HydrophobicContact CG1-CG2 4.11Å; T70-T88 HydrophobicContact CG2-CG2 3.76Å; T88-F90 VanDerWaalsContact CB-CE2 3.49Å; T88-F90 HydrophobicContact CG2-CE2 3.75Å; T88-F90 HydrophobicContact CG2-CZ 3.98Å; T88-F90 PolarHBondContact O-N 3.07Å; T88-M117 HydrophobicContact CG2-CE 4.06Å; T88-M117 WeakPolarHBondContact OG1-CG 3.28Å; T88-M117 PolarHBondContact OG1-O 3.4Å; T88-L118 HydrophobicContact CG2-CD2 4.45Å; T88-N121 PolarHBondContact O-OD1 2.97Å
89P95Very high96.5Very high14 Ų1428.1 Ų28.19%0.09114%0.143CC..  trans-76.244-173.231.6-35.4000113.4V65 H87 Q92 L93 N121V65-P89 HydrophobicContact CG1-CG 3.89Å; H87-P89 WeakPolarHBondContact O-CD 3.41Å; P89-Q92 HydrophobicContact CB-CB 4.35Å; P89-L93 HydrophobicContact CG-CD1 4.26Å; P89-L93 WeakPolarHBondContact O-CG 3.48Å; P89-L93 PolarHBondContact O-N 2.91Å; P89-N121 VanDerWaalsContact C-OD1 3.25Å; P89-N121 VanDerWaalsContact CA-OD1 3.25Å; P89-N121 WeakPolarHBondContact CA-OD1 3.36Å
90F93.1Very high96.5Very high5 Ų527.9 Ų27.92%0.02214%0.143CC..THydrogen-bonded Turntrans-64.7-52.6-170.9-61.5-48.8000112T70 T88 Q92 L93 G94 Q95 A97 E98 L118 N121T70-F90 HydrophobicContact CG2-CE2 3.65Å; T70-F90 HydrophobicContact CG2-CZ 3.5Å; T88-F90 VanDerWaalsContact CB-CE2 3.49Å; T88-F90 HydrophobicContact CG2-CE2 3.75Å; T88-F90 HydrophobicContact CG2-CZ 3.98Å; T88-F90 PolarHBondContact O-N 3.07Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 2.91Å; F90-L93 CarbonylContact O-C 3.56Å; F90-L93 WeakPolarHBondContact O-CA 3.48Å; F90-L93 PolarHBondContact O-N 3.08Å; F90-G94 PolarHBondContact O-N 2.83Å; F90-G94 VanDerWaalsContact O-N 3.16Å; F90-Q95 CarbonylContact C-O 3.53Å; F90-Q95 VanDerWaalsContact C-O 3.31Å; F90-Q95 HydrophobicContact CB-CB 4.37Å; F90-Q95 PolarHBondContact O-N 3.4Å; F90-A97 HydrophobicContact CD2-CB 4.4Å; F90-E98 HydrophobicContact CE1-CG 3.85Å; F90-E98 WeakPolarHBondContact CE1-OE1 3.49Å; F90-E98 HydrophobicContact CZ-CG 3.68Å; F90-L118 HydrophobicContact CD2-CD2 4.3Å; F90-L118 HydrophobicContact CE2-CD2 4.01Å; F90-N121 PolarHBondContact N-OD1 3.15Å
91T93.4Very high96.6Very high65 Ų6527.9 Ų27.940%0.39914%0.143SC..G310 helixtrans-67.3-32.4-177.560.50000111.5L93 G94 L119 N121T91-L93 PolarHBondContact O-N 3.12Å; T91-G94 PolarHBondContact O-N 3.21Å; T91-G94 VanDerWaalsContact O-N 3.09Å; T91-L119 VanDerWaalsContact CG2-O 3.32Å; T91-L119 WeakPolarHBondContact CG2-O 3.5Å; T91-L119 PolarHBondContact OG1-O 3.27Å; T91-N121 PolarHBondContact N-OD1 3.41Å; T91-N121 PolarHBondContact OG1-ND2 2.78Å; T91-N121 PolarHBondContact OG1-OD1 2.76Å; T91-N121 VanDerWaalsContact OG1-OD1 3.14Å
92Q93.6Very high96.6Very high122 Ų12230.8 Ų30.857%0.5716%0.163SC*.G310 helixtrans-62.5-29.6172.7-174.1175.914.200112.6P89 F90 N121P89-Q92 HydrophobicContact CB-CB 4.35Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 2.91Å; Q92-N121 PolarHBondContact N-ND2 3.03Å
93L93.6Very high96.7Very high16 Ų1626.9 Ų26.98%0.08414%0.143CC..G310 helixtrans-95.57.8177.3-65.2172.7000112.9L20 P89 F90 T91 Q95 F205L20-L93 HydrophobicContact CD1-CD1 3.98Å; L20-L93 HydrophobicContact CD1-CD2 3.93Å; L20-L93 HydrophobicContact CD2-CD1 4.39Å; P89-L93 HydrophobicContact CG-CD1 4.26Å; P89-L93 WeakPolarHBondContact O-CG 3.48Å; P89-L93 PolarHBondContact O-N 2.91Å; F90-L93 CarbonylContact O-C 3.56Å; F90-L93 WeakPolarHBondContact O-CA 3.48Å; F90-L93 PolarHBondContact O-N 3.08Å; T91-L93 PolarHBondContact O-N 3.12Å; L93-Q95 HydrophobicContact CB-CG 4.25Å; L93-Q95 PolarHBondContact O-N 3.35Å; L93-F205 HydrophobicContact CD2-CB 4.07Å; L93-F205 HydrophobicContact CD2-CD2 4.24Å; L93-F205 HydrophobicContact CD2-CG 4.14Å
94G95.4Very high96.8Very high5 Ų522.2 Ų22.25%0.05213%0.126CC..THydrogen-bonded Turntrans65.823-176.500000113.9F90 T91 R192F90-G94 PolarHBondContact O-N 2.83Å; F90-G94 VanDerWaalsContact O-N 3.16Å; T91-G94 PolarHBondContact O-N 3.21Å; T91-G94 VanDerWaalsContact O-N 3.09Å; G94-R192 PolarHBondContact O-NE 3.05Å; G94-R192 PolarHBondContact O-NH2 3.17Å
95Q96.4Very high96.9Very high14 Ų1422.2 Ų22.27%0.06513%0.126CC..  trans-105.3160.1-179.5-65.1-175.295.200111.5F90 L93 L189F90-Q95 CarbonylContact C-O 3.53Å; F90-Q95 VanDerWaalsContact C-O 3.31Å; F90-Q95 HydrophobicContact CB-CB 4.37Å; F90-Q95 PolarHBondContact O-N 3.4Å; L93-Q95 HydrophobicContact CB-CG 4.25Å; L93-Q95 PolarHBondContact O-N 3.35Å; Q95-L189 HydrophobicContact CB-CD2 3.96Å; Q95-L189 HydrophobicContact CG-CD2 4.41Å
96S97.4Very high96.9Very high31 Ų3122.8 Ų22.822%0.21713%0.13CC..  trans-93.3170.417054.40000111.6L189S96-L189 WeakPolarHBondContact OG-CG 3.01Å
97A97.5Very high96.8Very high22 Ų2230.3 Ų30.318%0.18216%0.159CC..  trans-63.2152.5173.400000112.2F90 L118F90-A97 HydrophobicContact CD2-CB 4.4Å; A97-L118 HydrophobicContact CB-CD2 4.47Å
98E97.9Very high96.9Very high3 Ų331.7 Ų31.71%0.01417%0.167CC..  trans-143.3-179.2-177.863.7-179.8174.400112.1L42 I67 T70 F90 C100 S101 E185 L189L42-E98 HydrophobicContact CD2-CB 4.3Å; L42-E98 WeakPolarHBondContact CD2-OE2 3.45Å; I67-E98 WeakPolarHBondContact CA-OE1 3.4Å; I67-E98 VanDerWaalsContact CB-OE1 3.24Å; I67-E98 WeakPolarHBondContact CB-OE1 3.43Å; I67-E98 HydrophobicContact CD1-CB 4.4Å; I67-E98 HydrophobicContact CD1-CG 3.75Å; I67-E98 PolarHBondContact N-OE1 3.46Å; T70-E98 VanDerWaalsContact CB-O 3.3Å; T70-E98 WeakPolarHBondContact CB-O 3.43Å; F90-E98 HydrophobicContact CE1-CG 3.85Å; F90-E98 WeakPolarHBondContact CE1-OE1 3.49Å; F90-E98 HydrophobicContact CZ-CG 3.68Å; E98-C100 VanDerWaalsContact C-N 3.27Å; E98-C100 PolarHBondContact O-N 2.96Å; E98-S101 VanDerWaalsContact O-CB 3.24Å; E98-S101 WeakPolarHBondContact O-CB 3.41Å; E98-S101 PolarHBondContact O-N 3.26Å; E98-S101 PolarHBondContact O-OG 2.99Å; E98-E185 WeakPolarHBondContact CA-OE2 3.33Å; E98-L189 HydrophobicContact CB-CD1 3.62Å; E98-L189 HydrophobicContact CG-CD1 4.47Å
99G98Very high96.9Very high0 Ų032.5 Ų32.50%017%0.171CC..THydrogen-bonded Turntrans68.124.6172.800000114.5S101 E185G99-S101 PolarHBondContact O-N 2.9Å; G99-E185 PolarHBondContact N-OE2 3.14Å; G99-E185 VanDerWaalsContact N-OE2 3.11Å
100C98.7Very high97.1Very high0 Ų033.1 Ų33.10%018%0.179CC..THydrogen-bonded Turntrans62.912.3-168.4-560000114.5L74 E98 S102 Y103 T104 L178 V181 E185L74-C100 HydrophobicContact CD2-CB 4.27Å; E98-C100 VanDerWaalsContact C-N 3.27Å; E98-C100 PolarHBondContact O-N 2.96Å; C100-S102 VanDerWaalsContact C-N 3.27Å; C100-S102 PolarHBondContact O-N 3.34Å; C100-Y103 PolarHBondContact O-N 3.4Å; C100-T104 HydrophobicContact CB-CG2 4.09Å; C100-T104 PolarHBondContact O-N 3.15Å; C100-T104 PolarHBondContact O-OG1 2.71Å; C100-T104 VanDerWaalsContact O-OG1 3.12Å; C100-L178 HydrophobicContact CB-CD2 3.96Å; C100-L178 PolarHBondContact SG-O 3.07Å; C100-L178 VanDerWaalsContact SG-O 3.42Å; C100-V181 HydrophobicContact CB-CG1 4.18Å; C100-E185 VanDerWaalsContact C-OE1 3.3Å; C100-E185 WeakPolarHBondContact CA-OE1 3.34Å; C100-E185 WeakPolarHBondContact CA-OE2 3.32Å; C100-E185 PolarHBondContact N-OE2 3.05Å
101S98.6Very high97.4Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-66.1-26.1-174.260.10000113.8T70 E98 G99 Y103 T104 F105 P106 E185T70-S101 WeakPolarHBondContact CG2-OG 3.38Å; E98-S101 VanDerWaalsContact O-CB 3.24Å; E98-S101 WeakPolarHBondContact O-CB 3.41Å; E98-S101 PolarHBondContact O-N 3.26Å; E98-S101 PolarHBondContact O-OG 2.99Å; G99-S101 PolarHBondContact O-N 2.9Å; S101-Y103 PolarHBondContact O-N 2.92Å; S101-Y103 VanDerWaalsContact O-N 3.12Å; S101-T104 WeakPolarHBondContact CA-OG1 3.5Å; S101-F105 WeakPolarHBondContact O-CB 3.35Å; S101-F105 PolarHBondContact O-N 3.36Å; S101-F105 VanDerWaalsContact O-N 3.15Å; S101-P106 WeakPolarHBondContact O-CD 3.47Å; S101-E185 PolarHBondContact N-OE1 3.26Å
102S98.6Very high97.6Very high60 Ų6039.3 Ų39.342%0.4222%0.219SC..Hα-helixtrans-62.2-18.7172.767.40000113C100 E185C100-S102 VanDerWaalsContact C-N 3.27Å; C100-S102 PolarHBondContact O-N 3.34Å; S102-E185 WeakPolarHBondContact CB-OE1 3.18Å; S102-E185 PolarHBondContact N-OE1 3.2Å; S102-E185 PolarHBondContact OG-OE1 2.8Å
103Y98.6Very high97.8Very high40 Ų4037.8 Ų37.816%0.15721%0.211CC..Hα-helixtrans-108.9-46.7177.1179.7-110.1000113.2C100 S101 R107 E174 R177 L178 V181C100-Y103 PolarHBondContact O-N 3.4Å; S101-Y103 PolarHBondContact O-N 2.92Å; S101-Y103 VanDerWaalsContact O-N 3.12Å; Y103-R107 WeakPolarHBondContact O-CG 3.35Å; Y103-R107 PolarHBondContact OH-NH1 3.03Å; Y103-E174 WeakPolarHBondContact CE1-OE2 3.38Å; Y103-E174 PolarHBondContact OH-OE2 3.46Å; Y103-R177 HydrophobicContact CE1-CG 4.04Å; Y103-R177 HydrophobicContact CE2-CG 3.97Å; Y103-L178 HydrophobicContact CD1-CD2 3.79Å; Y103-L178 HydrophobicContact CE1-CD2 4.19Å; Y103-V181 HydrophobicContact CD2-CG2 4.4Å; Y103-V181 HydrophobicContact CG-CG2 4.03Å
104T98.6Very high98.1Very high9 Ų937.1 Ų37.16%0.05521%0.208CC..Hα-helixtrans-72.1-41.9-173.457.10000111.5L74 C100 S101 R107 I108 L178L74-T104 HydrophobicContact CD2-CG2 4.08Å; C100-T104 HydrophobicContact CB-CG2 4.09Å; C100-T104 PolarHBondContact O-N 3.15Å; C100-T104 PolarHBondContact O-OG1 2.71Å; C100-T104 VanDerWaalsContact O-OG1 3.12Å; S101-T104 WeakPolarHBondContact CA-OG1 3.5Å; T104-R107 PolarHBondContact O-N 2.9Å; T104-I108 WeakPolarHBondContact O-CD1 3.49Å; T104-I108 VanDerWaalsContact O-CG1 3.26Å; T104-I108 WeakPolarHBondContact O-CG1 3.37Å; T104-I108 PolarHBondContact O-N 3.26Å; T104-L178 HydrophobicContact CG2-CD2 3.92Å
105F98.6Very high98.2Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-67.3-47-174.5-74.215.8000112.4V69 T70 S101 R107 I108 M109 A114 M117 L118 L134V69-F105 HydrophobicContact CG1-CZ 4.2Å; T70-F105 HydrophobicContact CG2-CZ 4.4Å; S101-F105 WeakPolarHBondContact O-CB 3.35Å; S101-F105 PolarHBondContact O-N 3.36Å; S101-F105 VanDerWaalsContact O-N 3.15Å; F105-R107 PolarHBondContact O-N 3.44Å; F105-R107 VanDerWaalsContact O-N 3.13Å; F105-I108 PolarHBondContact O-N 3.4Å; F105-M109 HydrophobicContact CB-CE 4.19Å; F105-M109 HydrophobicContact CD2-CE 4Å; F105-M109 HydrophobicContact CG-CE 4.02Å; F105-M109 VanDerWaalsContact O-CG 3.28Å; F105-M109 WeakPolarHBondContact O-CG 3.39Å; F105-M109 PolarHBondContact O-N 2.87Å; F105-A114 HydrophobicContact CB-CB 3.85Å; F105-M117 HydrophobicContact CD2-SD 4.04Å; F105-M117 HydrophobicContact CE2-CE 3.87Å; F105-M117 HydrophobicContact CE2-SD 3.68Å; F105-L118 HydrophobicContact CB-CD1 4.24Å; F105-L118 HydrophobicContact CD2-CD1 4.21Å; F105-L118 HydrophobicContact CD2-CD2 3.82Å; F105-L118 HydrophobicContact CD2-CG 4.04Å; F105-L118 HydrophobicContact CE2-CD2 4.06Å; F105-L134 HydrophobicContact CE1-CD1 4.08Å; F105-L134 HydrophobicContact CZ-CD2 4.38Å
106P98.6Very high98.3Very high42 Ų4241.2 Ų41.227%0.27323%0.23SC..Hα-helixtrans-56.2-31.3175.3-27.836000113.9S101 G110 A114S101-P106 WeakPolarHBondContact O-CD 3.47Å; P106-G110 CarbonylContact O-C 3.39Å; P106-G110 WeakPolarHBondContact O-CA 3.36Å; P106-G110 PolarHBondContact O-N 2.99Å; P106-A114 HydrophobicContact CB-CB 4.26Å; P106-A114 HydrophobicContact CG-CB 3.76Å
107R97.8Very high98.3Very high158 Ų15839.7 Ų39.760%0.59622%0.22SC*.Hα-helixtrans-77.9-30.1177-68.5179.764.8122.5-8.4113.4Y103 T104 F105 E174Y103-R107 WeakPolarHBondContact O-CG 3.35Å; Y103-R107 PolarHBondContact OH-NH1 3.03Å; T104-R107 PolarHBondContact O-N 2.9Å; F105-R107 PolarHBondContact O-N 3.44Å; F105-R107 VanDerWaalsContact O-N 3.13Å; R107-E174 IonicContact CZ-OE1 3.46Å; R107-E174 IonicContact NH1-OE1 3.39Å; R107-E174 PolarHBondContact NH1-OE1 3.07Å; R107-E174 IonicContact NH2-OE1 2.98Å; R107-E174 PolarHBondContact NH2-OE1 2.93Å
108I98.3Very high98.3Very high60 Ų6039.2 Ų39.231%0.30821%0.214SC..Hα-helixtrans-79.3-53.5179.5-70.8165.5000110.6T104 F105 L132 G133 L134T104-I108 WeakPolarHBondContact O-CD1 3.49Å; T104-I108 VanDerWaalsContact O-CG1 3.26Å; T104-I108 WeakPolarHBondContact O-CG1 3.37Å; T104-I108 PolarHBondContact O-N 3.26Å; F105-I108 PolarHBondContact O-N 3.4Å; I108-L132 CarbonylContact C-O 3.31Å; I108-G133 WeakPolarHBondContact CG2-O 3.36Å; I108-L134 HydrophobicContact CD1-CD1 4.28Å; I108-L134 HydrophobicContact CG2-CB 4.17Å
109M98.2Very high98.3Very high17 Ų1743.6 Ų43.68%0.08424%0.237CC..Hα-helixtrans-114.42.3-168.564.7-174.973.100114.5F105 K113 A114 M117 L132 L134F105-M109 HydrophobicContact CB-CE 4.19Å; F105-M109 HydrophobicContact CD2-CE 4Å; F105-M109 HydrophobicContact CG-CE 4.02Å; F105-M109 VanDerWaalsContact O-CG 3.28Å; F105-M109 WeakPolarHBondContact O-CG 3.39Å; F105-M109 PolarHBondContact O-N 2.87Å; M109-K113 HydrophobicContact CB-CB 4.2Å; M109-K113 HydrophobicContact CG-CB 3.96Å; M109-K113 WeakPolarHBondContact O-CB 3.31Å; M109-K113 HydrophobicContact SD-CB 4.19Å; M109-A114 HydrophobicContact CG-CB 4.14Å; M109-A114 HydrophobicContact SD-CB 4.43Å; M109-M117 HydrophobicContact CE-SD 4.21Å; M109-M117 HydrophobicContact SD-SD 4.41Å; M109-L132 WeakPolarHBondContact CA-O 3.24Å; M109-L132 HydrophobicContact CB-CB 3.77Å; M109-L132 HydrophobicContact CB-CD2 4.34Å; M109-L132 HydrophobicContact CB-CG 4.43Å; M109-L132 WeakPolarHBondContact CB-O 3.3Å; M109-L134 HydrophobicContact CE-CB 4.26Å; M109-L134 HydrophobicContact CE-CD2 4.31Å
110G98.6Very high98.3Very high26 Ų2651.2 Ų51.227%0.26827%0.27SS..  trans83.2155.5-172.900000113.3P106 T112 K113 A114P106-G110 CarbonylContact O-C 3.39Å; P106-G110 WeakPolarHBondContact O-CA 3.36Å; P106-G110 PolarHBondContact O-N 2.99Å; G110-T112 PolarHBondContact O-N 3.41Å; G110-K113 PolarHBondContact O-N 3.22Å; G110-A114 WeakPolarHBondContact O-CB 3.36Å; G110-A114 PolarHBondContact O-N 3.01Å
111P98.2Very high98.1Very high88 Ų8852.7 Ų52.757%0.57128%0.278SS*.Hα-helixtrans-64.1-36.9-170.724.1-34.4000113.7S115P111-S115 WeakPolarHBondContact O-CB 3.36Å; P111-S115 PolarHBondContact O-N 3.42Å; P111-S115 PolarHBondContact O-OG 3.19Å
112T98.5Very high98.1Very high112 Ų11256.8 Ų56.869%0.68730%0.296SS*.Hα-helixtrans-68-43.1-178.5-50.60000111.8G110 S115 E116G110-T112 PolarHBondContact O-N 3.41Å; T112-S115 PolarHBondContact O-N 2.93Å; T112-E116 PolarHBondContact O-N 3.42Å
113K98.4Very high98.1Very high91 Ų9159 Ų5940%0.39630%0.298SS..Hα-helixtrans-73.4-37.2179.3-68-67.4175.7-1730112.2M109 G110 S115 E116 M117 L132M109-K113 HydrophobicContact CB-CB 4.2Å; M109-K113 HydrophobicContact CG-CB 3.96Å; M109-K113 WeakPolarHBondContact O-CB 3.31Å; M109-K113 HydrophobicContact SD-CB 4.19Å; G110-K113 PolarHBondContact O-N 3.22Å; K113-S115 VanDerWaalsContact C-N 3.29Å; K113-S115 PolarHBondContact O-N 3.22Å; K113-E116 WeakPolarHBondContact CD-OE2 3.28Å; K113-E116 IonicContact NZ-OE2 2.64Å; K113-E116 PolarHBondContact NZ-OE2 3.11Å; K113-E116 WeakPolarHBondContact O-CB 3.19Å; K113-E116 PolarHBondContact O-N 2.9Å; K113-M117 PolarHBondContact O-N 3.39Å; K113-M117 VanDerWaalsContact O-N 3.1Å; K113-L132 HydrophobicContact CB-CD1 4.33Å; K113-L132 HydrophobicContact CB-CD2 4.21Å; K113-L132 HydrophobicContact CD-CD1 4.42Å; K113-L132 HydrophobicContact CD-CD2 4.25Å; K113-L132 HydrophobicContact CG-CD1 4.48Å; K113-L132 HydrophobicContact CG-CD2 3.8Å
114A98.6Very high98.1Very high2 Ų257.5 Ų57.52%0.01729%0.293CS..Hα-helixtrans-59.4-42.1169.500000111.5F105 P106 M109 G110 M117 L118F105-A114 HydrophobicContact CB-CB 3.85Å; P106-A114 HydrophobicContact CB-CB 4.26Å; P106-A114 HydrophobicContact CG-CB 3.76Å; M109-A114 HydrophobicContact CG-CB 4.14Å; M109-A114 HydrophobicContact SD-CB 4.43Å; G110-A114 WeakPolarHBondContact O-CB 3.36Å; G110-A114 PolarHBondContact O-N 3.01Å; A114-M117 PolarHBondContact O-N 3.49Å; A114-L118 VanDerWaalsContact O-CB 3.28Å; A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.48Å; A114-L118 PolarHBondContact O-N 3.49Å
115S98.4Very high98.1Very high44 Ų4460 Ų6031%0.30831%0.308SS..Hα-helixtrans-65.4-41.9176.7-60.10000112.4P111 T112 K113 M117 L119 F120P111-S115 WeakPolarHBondContact O-CB 3.36Å; P111-S115 PolarHBondContact O-N 3.42Å; P111-S115 PolarHBondContact O-OG 3.19Å; T112-S115 PolarHBondContact O-N 2.93Å; K113-S115 VanDerWaalsContact C-N 3.29Å; K113-S115 PolarHBondContact O-N 3.22Å; S115-M117 PolarHBondContact O-N 2.84Å; S115-L119 WeakPolarHBondContact O-CA 3.19Å; S115-L119 VanDerWaalsContact O-CB 3.26Å; S115-L119 WeakPolarHBondContact O-CB 3.34Å; S115-L119 PolarHBondContact O-N 2.93Å; S115-F120 WeakPolarHBondContact O-CD2 3.36Å; S115-F120 PolarHBondContact O-N 2.99Å
116E98Very high98.1Very high60 Ų6060 Ų6028%0.2831%0.308SS..Hα-helixtrans-54.6-43.9174.9-153.3-170.8161.600111T112 K113 F120 N121 K122T112-E116 PolarHBondContact O-N 3.42Å; K113-E116 WeakPolarHBondContact CD-OE2 3.28Å; K113-E116 IonicContact NZ-OE2 2.64Å; K113-E116 PolarHBondContact NZ-OE2 3.11Å; K113-E116 WeakPolarHBondContact O-CB 3.19Å; K113-E116 PolarHBondContact O-N 2.9Å; E116-F120 CarbonylContact O-C 3.57Å; E116-F120 VanDerWaalsContact O-C 3.31Å; E116-F120 WeakPolarHBondContact O-CA 3.19Å; E116-F120 WeakPolarHBondContact O-CB 3.34Å; E116-F120 PolarHBondContact O-N 2.96Å; E116-N121 PolarHBondContact O-N 2.73Å; E116-K122 HydrophobicContact CB-CB 4.3Å; E116-K122 HydrophobicContact CG-CB 3.81Å; E116-K122 HydrophobicContact CG-CG 4.08Å; E116-K122 WeakPolarHBondContact O-CB 3.43Å; E116-K122 PolarHBondContact O-N 2.91Å
117M98Very high98.1Very high0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-77.2-49.3-179.1-172.6172.8-177.200113.3V69 F86 T88 F105 M109 K113 A114 S115 N121 L124V69-M117 HydrophobicContact CG1-CE 3.42Å; V69-M117 VanDerWaalsContact CG1-CE 3.42Å; F86-M117 HydrophobicContact CB-CE 4.07Å; T88-M117 HydrophobicContact CG2-CE 4.06Å; T88-M117 WeakPolarHBondContact OG1-CG 3.28Å; T88-M117 PolarHBondContact OG1-O 3.4Å; F105-M117 HydrophobicContact CD2-SD 4.04Å; F105-M117 HydrophobicContact CE2-CE 3.87Å; F105-M117 HydrophobicContact CE2-SD 3.68Å; M109-M117 HydrophobicContact CE-SD 4.21Å; M109-M117 HydrophobicContact SD-SD 4.41Å; K113-M117 PolarHBondContact O-N 3.39Å; K113-M117 VanDerWaalsContact O-N 3.1Å; A114-M117 PolarHBondContact O-N 3.49Å; S115-M117 PolarHBondContact O-N 2.84Å; M117-N121 WeakPolarHBondContact O-CA 3.31Å; M117-N121 PolarHBondContact O-N 3.11Å; M117-L124 HydrophobicContact CE-CD1 4.41Å; M117-L124 HydrophobicContact SD-CD1 3.64Å; M117-L124 HydrophobicContact SD-CG 4.25Å
118L97.9Very high98.1Very high12 Ų1256.9 Ų56.96%0.06330%0.304CS..Hα-helixtrans-81.9-35.2-171.8-64.3175.7000113.7T88 F90 A97 F105 A114T88-L118 HydrophobicContact CG2-CD2 4.45Å; F90-L118 HydrophobicContact CD2-CD2 4.3Å; F90-L118 HydrophobicContact CE2-CD2 4.01Å; A97-L118 HydrophobicContact CB-CD2 4.47Å; F105-L118 HydrophobicContact CB-CD1 4.24Å; F105-L118 HydrophobicContact CD2-CD1 4.21Å; F105-L118 HydrophobicContact CD2-CD2 3.82Å; F105-L118 HydrophobicContact CD2-CG 4.04Å; F105-L118 HydrophobicContact CE2-CD2 4.06Å; A114-L118 VanDerWaalsContact O-CB 3.28Å; A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.48Å; A114-L118 PolarHBondContact O-N 3.49Å
119L97.5Very high98.1Very high95 Ų9554 Ų5450%0.49729%0.289SS..THydrogen-bonded Turntrans-98.9-39.9-175.9-51.4-177.5000111.6T91 S115T91-L119 VanDerWaalsContact CG2-O 3.32Å; T91-L119 WeakPolarHBondContact CG2-O 3.5Å; T91-L119 PolarHBondContact OG1-O 3.27Å; S115-L119 WeakPolarHBondContact O-CA 3.19Å; S115-L119 VanDerWaalsContact O-CB 3.26Å; S115-L119 WeakPolarHBondContact O-CB 3.34Å; S115-L119 PolarHBondContact O-N 2.93Å
120F97.4Very high98.1Very high159 Ų15955.1 Ų55.170%0.69730%0.298SS*.SBendtrans-103.810.8-175.5-57.8-72.7000113.6S115 E116 K122S115-F120 WeakPolarHBondContact O-CD2 3.36Å; S115-F120 PolarHBondContact O-N 2.99Å; E116-F120 CarbonylContact O-C 3.57Å; E116-F120 VanDerWaalsContact O-C 3.31Å; E116-F120 WeakPolarHBondContact O-CA 3.19Å; E116-F120 WeakPolarHBondContact O-CB 3.34Å; E116-F120 PolarHBondContact O-N 2.96Å; F120-K122 PolarHBondContact O-N 2.55Å; F120-K122 VanDerWaalsContact O-N 3.17Å
121N95.8Very high98.1Very high32 Ų3260.7 Ų60.717%0.17132%0.317CS..  trans54.733.5174.3-48.3-57.1000113.3H87 T88 P89 F90 T91 Q92 E116 M117 K123H87-N121 PolarHBondContact CD2-O 3.31Å; H87-N121 PolarHBondContact NE2-O 3.29Å; T88-N121 PolarHBondContact O-OD1 2.97Å; P89-N121 VanDerWaalsContact C-OD1 3.25Å; P89-N121 VanDerWaalsContact CA-OD1 3.25Å; P89-N121 WeakPolarHBondContact CA-OD1 3.36Å; F90-N121 PolarHBondContact N-OD1 3.15Å; T91-N121 PolarHBondContact N-OD1 3.41Å; T91-N121 PolarHBondContact OG1-ND2 2.78Å; T91-N121 PolarHBondContact OG1-OD1 2.76Å; T91-N121 VanDerWaalsContact OG1-OD1 3.14Å; Q92-N121 PolarHBondContact N-ND2 3.03Å; E116-N121 PolarHBondContact O-N 2.73Å; M117-N121 WeakPolarHBondContact O-CA 3.31Å; M117-N121 PolarHBondContact O-N 3.11Å; N121-K123 PolarHBondContact O-N 2.92Å; N121-K123 VanDerWaalsContact O-N 3.14Å
122K97.7Very high98.2Very high86 Ų8658.4 Ų58.437%0.37430%0.3SS..PPolyproline II helixtrans-64.1119.4176.1-179.867174.8-172.80109.8E116 F120 L124E116-K122 HydrophobicContact CB-CB 4.3Å; E116-K122 HydrophobicContact CG-CB 3.81Å; E116-K122 HydrophobicContact CG-CG 4.08Å; E116-K122 WeakPolarHBondContact O-CB 3.43Å; E116-K122 PolarHBondContact O-N 2.91Å; F120-K122 PolarHBondContact O-N 2.55Å; F120-K122 VanDerWaalsContact O-N 3.17Å; K122-L124 HydrophobicContact CG-CD2 4Å
123K98.2Very high98.1Very high105 Ų10555.5 Ų55.546%0.45729%0.292SS..PPolyproline II helixtrans-76131.1165.7-179.5176.4-72.8-176.80109.7T85 F86 H87 N121T85-K123 HydrophobicContact CG2-CD 4.34Å; F86-K123 WeakPolarHBondContact O-CA 3.42Å; H87-K123 HydrophobicContact CB-CB 4.25Å; H87-K123 HydrophobicContact CB-CG 4.15Å; N121-K123 PolarHBondContact O-N 2.92Å; N121-K123 VanDerWaalsContact O-N 3.14Å
124L98.6Very high98.1Very high9 Ų951.4 Ų51.45%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-103.3144.7174.8-57.6-179.6000110.8T85 F86 M117 K122 Q128 A129 L132T85-L124 CarbonylContact C-O 3.47Å; T85-L124 VanDerWaalsContact CA-O 3.29Å; T85-L124 WeakPolarHBondContact CA-O 3.22Å; F86-L124 HydrophobicContact CB-CB 4.45Å; F86-L124 PolarHBondContact N-O 2.61Å; F86-L124 PolarHBondContact O-N 3.25Å; M117-L124 HydrophobicContact CE-CD1 4.41Å; M117-L124 HydrophobicContact SD-CD1 3.64Å; M117-L124 HydrophobicContact SD-CG 4.25Å; K122-L124 HydrophobicContact CG-CD2 4Å; L124-Q128 HydrophobicContact CB-CB 4.37Å; L124-Q128 HydrophobicContact CD2-CB 4.4Å; L124-A129 HydrophobicContact CB-CB 4.31Å; L124-A129 HydrophobicContact CD1-CB 4.37Å; L124-L132 HydrophobicContact CD1-CD1 3.93Å; L124-L132 HydrophobicContact CD2-CD1 4.29Å
125T98.6Very high98.1Very high61 Ų6151.5 Ų51.537%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-78.3165.6164.567.60000110.7S127 Q128 A129T125-S127 VanDerWaalsContact C-N 3.33Å; T125-S127 PolarHBondContact O-N 3.01Å; T125-Q128 PolarHBondContact O-N 2.84Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.41Å; T125-Q128 PolarHBondContact OG1-N 3.43Å; T125-Q128 PolarHBondContact OG1-OE1 3.19Å; T125-A129 WeakPolarHBondContact O-CB 3.42Å; T125-A129 PolarHBondContact O-N 2.98Å
126A98.3Very high98.1Very high0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-55.3-45.1173.100000112.9A80 T81 A84 F86 A129 C130 V138A80-A126 HydrophobicContact CB-CB 4.33Å; T81-A126 WeakPolarHBondContact O-CB 3.21Å; A84-A126 HydrophobicContact CB-CB 4.27Å; A84-A126 PolarHBondContact O-N 3.11Å; F86-A126 HydrophobicContact CE2-CB 4.38Å; A126-A129 PolarHBondContact O-N 3.09Å; A126-C130 WeakPolarHBondContact O-CB 3.41Å; A126-C130 PolarHBondContact O-N 2.79Å; A126-V138 HydrophobicContact CB-CG1 3.79Å; A126-V138 HydrophobicContact CB-CG2 3.93Å; A126-V138 WeakPolarHBondContact O-CG2 3.29Å
127S98.5Very high98.1Very high65 Ų6553.2 Ų53.246%0.45528%0.283SS..Hα-helixtrans-59.6-49.1177-166.40000111.8T125 A129 C130 E131T125-S127 VanDerWaalsContact C-N 3.33Å; T125-S127 PolarHBondContact O-N 3.01Å; S127-A129 PolarHBondContact O-N 3.19Å; S127-C130 WeakPolarHBondContact O-CB 3.29Å; S127-C130 PolarHBondContact O-N 3.41Å; S127-C130 VanDerWaalsContact O-N 3.15Å; S127-E131 WeakPolarHBondContact O-CG 3.15Å; S127-E131 PolarHBondContact O-N 3.2Å; S127-E131 PolarHBondContact OG-OE1 2.88Å
128Q98.6Very high98.2Very high70 Ų7055.2 Ų55.233%0.32730%0.295SS..Hα-helixtrans-61.8-43.8179.2-71.5172-30.200111.8L124 T125 C130 E131 L132L124-Q128 HydrophobicContact CB-CB 4.37Å; L124-Q128 HydrophobicContact CD2-CB 4.4Å; T125-Q128 PolarHBondContact O-N 2.84Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.41Å; T125-Q128 PolarHBondContact OG1-N 3.43Å; T125-Q128 PolarHBondContact OG1-OE1 3.19Å; Q128-C130 VanDerWaalsContact C-N 3.25Å; Q128-C130 PolarHBondContact O-N 3.24Å; Q128-E131 PolarHBondContact O-N 3.03Å; Q128-L132 VanDerWaalsContact O-CB 3.31Å; Q128-L132 WeakPolarHBondContact O-CB 3.36Å; Q128-L132 WeakPolarHBondContact O-CG 3.28Å; Q128-L132 PolarHBondContact O-N 2.93Å
129A98.6Very high98.2Very high0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-66.2-30.5178.500000111.9F86 L124 T125 A126 S127 G133 L134 I135F86-A129 HydrophobicContact CD2-CB 3.76Å; F86-A129 HydrophobicContact CE2-CB 4.13Å; F86-A129 HydrophobicContact CG-CB 4.41Å; L124-A129 HydrophobicContact CB-CB 4.31Å; L124-A129 HydrophobicContact CD1-CB 4.37Å; T125-A129 WeakPolarHBondContact O-CB 3.42Å; T125-A129 PolarHBondContact O-N 2.98Å; A126-A129 PolarHBondContact O-N 3.09Å; S127-A129 PolarHBondContact O-N 3.19Å; A129-G133 PolarHBondContact O-N 3.16Å; A129-L134 HydrophobicContact CB-CB 4.47Å; A129-L134 WeakPolarHBondContact O-CA 3.18Å; A129-L134 WeakPolarHBondContact O-CB 3.4Å; A129-L134 PolarHBondContact O-N 2.89Å; A129-I135 HydrophobicContact CB-CD1 4.4Å; A129-I135 HydrophobicContact CB-CG1 3.52Å; A129-I135 PolarHBondContact O-N 3.33Å; A129-I135 VanDerWaalsContact O-N 3.08Å
130C98.7Very high98.1Very high40 Ų4053.1 Ų53.127%0.2729%0.288SS..Hα-helixtrans-70.3-48172.2-165.20000112.2A126 S127 Q128 L132 G133 I135 V138A126-C130 WeakPolarHBondContact O-CB 3.41Å; A126-C130 PolarHBondContact O-N 2.79Å; S127-C130 WeakPolarHBondContact O-CB 3.29Å; S127-C130 PolarHBondContact O-N 3.41Å; S127-C130 VanDerWaalsContact O-N 3.15Å; Q128-C130 VanDerWaalsContact C-N 3.25Å; Q128-C130 PolarHBondContact O-N 3.24Å; C130-L132 PolarHBondContact O-N 2.97Å; C130-G133 PolarHBondContact O-N 3.29Å; C130-I135 WeakPolarHBondContact CA-O 3.49Å; C130-I135 HydrophobicContact CB-CB 4.02Å; C130-I135 HydrophobicContact CB-CG2 4.49Å; C130-I135 PolarHBondContact SG-O 3.32Å; C130-I135 VanDerWaalsContact SG-O 3.41Å; C130-V138 HydrophobicContact CB-CG2 3.7Å
131E98.6Very high97.9Very high144 Ų14448.2 Ų48.267%0.67327%0.268SS*.Hα-helixtrans-58.3-34.3176.4-73161.5-145.300112S127 Q128 G133S127-E131 WeakPolarHBondContact O-CG 3.15Å; S127-E131 PolarHBondContact O-N 3.2Å; S127-E131 PolarHBondContact OG-OE1 2.88Å; Q128-E131 PolarHBondContact O-N 3.03Å; E131-G133 VanDerWaalsContact C-N 3.3Å
132L98.4Very high97.9Very high40 Ų4053.3 Ų53.321%0.20930%0.301CS..THydrogen-bonded Turntrans-840.6177.3-68.2177.7000113.9I108 M109 K113 L124 Q128 C130 L134I108-L132 CarbonylContact C-O 3.31Å; M109-L132 WeakPolarHBondContact CA-O 3.24Å; M109-L132 HydrophobicContact CB-CB 3.77Å; M109-L132 HydrophobicContact CB-CD2 4.34Å; M109-L132 HydrophobicContact CB-CG 4.43Å; M109-L132 WeakPolarHBondContact CB-O 3.3Å; K113-L132 HydrophobicContact CB-CD1 4.33Å; K113-L132 HydrophobicContact CB-CD2 4.21Å; K113-L132 HydrophobicContact CD-CD1 4.42Å; K113-L132 HydrophobicContact CD-CD2 4.25Å; K113-L132 HydrophobicContact CG-CD1 4.48Å; K113-L132 HydrophobicContact CG-CD2 3.8Å; L124-L132 HydrophobicContact CD1-CD1 3.93Å; L124-L132 HydrophobicContact CD2-CD1 4.29Å; Q128-L132 VanDerWaalsContact O-CB 3.31Å; Q128-L132 WeakPolarHBondContact O-CB 3.36Å; Q128-L132 WeakPolarHBondContact O-CG 3.28Å; Q128-L132 PolarHBondContact O-N 2.93Å; C130-L132 PolarHBondContact O-N 2.97Å; L132-L134 PolarHBondContact O-N 3.39Å
133G98.2Very high97.8Very high51 Ų5150.3 Ų50.353%0.52629%0.291SS..THydrogen-bonded Turntrans82.51.8174.900000116I108 A129 C130 E131I108-G133 WeakPolarHBondContact CG2-O 3.36Å; A129-G133 PolarHBondContact O-N 3.16Å; C130-G133 PolarHBondContact O-N 3.29Å; E131-G133 VanDerWaalsContact C-N 3.3Å
134L98.4Very high97.6Very high4 Ų445.5 Ų45.52%0.02127%0.27CS..SBendtrans-73.5-37.7174.7-178.863.3000111.2L72 I78 F105 I108 M109 A129 L132L72-L134 HydrophobicContact CB-CD1 4.18Å; I78-L134 HydrophobicContact CD1-CD1 4.46Å; I78-L134 WeakPolarHBondContact CD1-O 3.38Å; F105-L134 HydrophobicContact CE1-CD1 4.08Å; F105-L134 HydrophobicContact CZ-CD2 4.38Å; I108-L134 HydrophobicContact CD1-CD1 4.28Å; I108-L134 HydrophobicContact CG2-CB 4.17Å; M109-L134 HydrophobicContact CE-CB 4.26Å; M109-L134 HydrophobicContact CE-CD2 4.31Å; A129-L134 HydrophobicContact CB-CB 4.47Å; A129-L134 WeakPolarHBondContact O-CA 3.18Å; A129-L134 WeakPolarHBondContact O-CB 3.4Å; A129-L134 PolarHBondContact O-N 2.89Å; L132-L134 PolarHBondContact O-N 3.39Å
135I98.5Very high97.2Very high5 Ų548.4 Ų48.43%0.02628%0.284CS..  trans-103135.6179-51.8-58.5000109.2I78 A80 F86 A129 C130 E137 V138I78-I135 HydrophobicContact CB-CD1 4.27Å; I78-I135 HydrophobicContact CG2-CD1 3.42Å; I78-I135 VanDerWaalsContact CG2-CD1 3.42Å; I78-I135 WeakPolarHBondContact O-CG2 3.42Å; A80-I135 HydrophobicContact CB-CG2 3.86Å; F86-I135 HydrophobicContact CD1-CD1 4.42Å; F86-I135 HydrophobicContact CE1-CD1 3.64Å; F86-I135 HydrophobicContact CE2-CD1 3.87Å; F86-I135 HydrophobicContact CE2-CG1 4Å; F86-I135 HydrophobicContact CZ-CD1 3.32Å; F86-I135 HydrophobicContact CZ-CG1 3.96Å; A129-I135 HydrophobicContact CB-CD1 4.4Å; A129-I135 HydrophobicContact CB-CG1 3.52Å; A129-I135 PolarHBondContact O-N 3.33Å; A129-I135 VanDerWaalsContact O-N 3.08Å; C130-I135 WeakPolarHBondContact CA-O 3.49Å; C130-I135 HydrophobicContact CB-CB 4.02Å; C130-I135 HydrophobicContact CB-CG2 4.49Å; C130-I135 PolarHBondContact SG-O 3.32Å; C130-I135 VanDerWaalsContact SG-O 3.41Å; I135-E137 WeakPolarHBondContact CG2-O 3.28Å; I135-V138 HydrophobicContact CG2-CG2 4.05Å
136T98.1Very high97.1Very high72 Ų7249 Ų4944%0.44229%0.29SS..SBendtrans-73.7-45.8178.9-51.80000111.5L77 I78 Y79L77-T136 HydrophobicContact CD2-CG2 3.94Å; I78-T136 PolarHBondContact N-OG1 2.92Å; I78-T136 WeakPolarHBondContact O-CA 3.3Å; I78-T136 VanDerWaalsContact O-CB 3.24Å; I78-T136 WeakPolarHBondContact O-CB 3.48Å; I78-T136 PolarHBondContact O-N 3.43Å; I78-T136 PolarHBondContact O-OG1 3.33Å; Y79-T136 HydrophobicContact CE1-CG2 4.14Å
137E98.3Very high97Very high68 Ų6851.9 Ų51.932%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-156.4145-178.5-162.9175.8171.500110.3Y79 A80 I135 F139 R151Y79-E137 HydrophobicContact CD1-CB 3.83Å; Y79-E137 HydrophobicContact CE1-CB 3.95Å; A80-E137 PolarHBondContact N-O 3.1Å; A80-E137 VanDerWaalsContact N-O 3.12Å; I135-E137 WeakPolarHBondContact CG2-O 3.28Å; E137-F139 HydrophobicContact CB-CE2 3.93Å; E137-F139 HydrophobicContact CB-CZ 3.95Å; E137-F139 HydrophobicContact CG-CE1 4.15Å; E137-F139 HydrophobicContact CG-CE2 4.03Å; E137-F139 HydrophobicContact CG-CZ 3.67Å; E137-F139 WeakPolarHBondContact OE1-CE1 3.34Å; E137-F139 WeakPolarHBondContact OE2-CZ 3.42Å; E137-R151 IonicContact OE1-CZ 3.67Å; E137-R151 IonicContact OE1-NH2 3.22Å; E137-R151 PolarHBondContact OE1-NH2 2.94Å; E137-R151 IonicContact OE2-CZ 3.81Å; E137-R151 IonicContact OE2-NE 3.08Å; E137-R151 PolarHBondContact OE2-NE 3.29Å; E137-R151 IonicContact OE2-NH2 3.09Å; E137-R151 PolarHBondContact OE2-NH2 2.95Å
138V98.4Very high96.8Very high42 Ų4248.9 Ų48.926%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-113.2136.7177.9-177.80000109.1A80 E82 A126 C130 I135A80-V138 CarbonylContact O-C 3.57Å; A80-V138 VanDerWaalsContact O-CA 3.29Å; A80-V138 WeakPolarHBondContact O-CA 3.44Å; E82-V138 HydrophobicContact CB-CG1 4.07Å; A126-V138 HydrophobicContact CB-CG1 3.79Å; A126-V138 HydrophobicContact CB-CG2 3.93Å; A126-V138 WeakPolarHBondContact O-CG2 3.29Å; C130-V138 HydrophobicContact CB-CG2 3.7Å; I135-V138 HydrophobicContact CG2-CG2 4.05Å
139F97.8Very high96.5Very high4 Ų450.8 Ų50.82%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-119.6149.3-177.4-61.9-82.9000112Y79 A80 T81 E82 E137 F144 E147 V148 R151Y79-F139 AromaticContact CD1-CE2 3.63Å; Y79-F139 HydrophobicContact CD1-CE2 3.63Å; Y79-F139 HydrophobicContact CD1-CZ 4.17Å; Y79-F139 HydrophobicContact CE1-CE2 4.36Å; Y79-F139 HydrophobicContact CE1-CZ 4.48Å; Y79-F139 AromaticContact CG-CE2 3.86Å; Y79-F139 HydrophobicContact CG-CE2 3.86Å; A80-F139 PolarHBondContact O-N 3Å; T81-F139 CarbonylContact C-O 3.59Å; T81-F139 WeakPolarHBondContact CA-O 3.43Å; E82-F139 PolarHBondContact N-O 2.82Å; E137-F139 HydrophobicContact CB-CE2 3.93Å; E137-F139 HydrophobicContact CB-CZ 3.95Å; E137-F139 HydrophobicContact CG-CE1 4.15Å; E137-F139 HydrophobicContact CG-CE2 4.03Å; E137-F139 HydrophobicContact CG-CZ 3.67Å; E137-F139 WeakPolarHBondContact OE1-CE1 3.34Å; E137-F139 WeakPolarHBondContact OE2-CZ 3.42Å; F139-F144 HydrophobicContact CB-CB 4.17Å; F139-F144 HydrophobicContact CB-CD2 3.68Å; F139-F144 HydrophobicContact CB-CG 4.39Å; F139-F144 AromaticContact CD2-CD2 3.7Å; F139-F144 HydrophobicContact CD2-CD2 3.7Å; F139-F144 AromaticContact CD2-CE2 3.9Å; F139-F144 HydrophobicContact CD2-CE2 3.9Å; F139-F144 AromaticContact CG-CD2 3.95Å; F139-F144 HydrophobicContact CG-CD2 3.95Å; F139-E147 HydrophobicContact CD1-CB 3.92Å; F139-E147 HydrophobicContact CD1-CG 4.45Å; F139-E147 WeakPolarHBondContact CD1-OE2 3.46Å; F139-E147 HydrophobicContact CE1-CB 4.03Å; F139-E147 WeakPolarHBondContact CE1-OE2 3.38Å; F139-V148 HydrophobicContact CD2-CG2 3.98Å; F139-V148 HydrophobicContact CE2-CG2 3.87Å; F139-V148 HydrophobicContact CZ-CG2 4.46Å; F139-R151 VanDerWaalsContact CE1-NH1 3.25Å; F139-R151 VanDerWaalsContact CZ-CZ 3.47Å
140P97.3Very high96.4Very high59 Ų5955.3 Ų55.338%0.38332%0.315SS..  trans-56.3142.1164.7-21.533000110.7T142 S143 F144P140-T142 PolarHBondContact O-N 2.93Å; P140-S143 PolarHBondContact O-N 3.06Å; P140-S143 VanDerWaalsContact O-N 3.16Å; P140-F144 WeakPolarHBondContact O-CB 3.35Å; P140-F144 PolarHBondContact O-N 3.21Å
141D92.4Very high96.2Very high55 Ų5556.4 Ų56.429%0.29431%0.313SS..THydrogen-bonded Turntrans-61.8-34.4-175-166.267.3000113.2T81 R83 S143T81-D141 WeakPolarHBondContact OG1-CA 2.93Å; T81-D141 WeakPolarHBondContact OG1-CB 3.43Å; T81-D141 PolarHBondContact OG1-OD1 3.29Å; R83-D141 IonicContact CZ-OD1 2.91Å; R83-D141 IonicContact CZ-OD2 2.81Å; R83-D141 IonicContact NE-OD1 2.67Å; R83-D141 PolarHBondContact NE-OD1 3.42Å; R83-D141 IonicContact NH1-OD1 3.65Å; R83-D141 PolarHBondContact NH1-OD1 3.36Å; R83-D141 IonicContact NH1-OD2 2.73Å; R83-D141 PolarHBondContact NH1-OD2 3.42Å; R83-D141 IonicContact NH2-OD1 3.22Å; R83-D141 PolarHBondContact NH2-OD1 3.32Å; D141-S143 VanDerWaalsContact C-N 3.31Å; D141-S143 PolarHBondContact O-N 2.86Å
142T94.8Very high96Very high139 Ų13950.4 Ų50.485%0.85329%0.286SS*.THydrogen-bonded Turntrans-68.3-25.6-179.155.20000113.8P140P140-T142 PolarHBondContact O-N 2.93Å
143S95.8Very high95.8Very high24 Ų2454.8 Ų54.817%0.16830%0.303CS..THydrogen-bonded Turntrans-111.9-7179.868.70000113.8P140 D141 Q145 S146 E147P140-S143 PolarHBondContact O-N 3.06Å; P140-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 VanDerWaalsContact C-N 3.31Å; D141-S143 PolarHBondContact O-N 2.86Å; S143-Q145 PolarHBondContact O-N 2.8Å; S143-S146 PolarHBondContact O-N 3.24Å; S143-S146 PolarHBondContact O-OG 3.47Å; S143-E147 WeakPolarHBondContact CB-OE1 3.49Å; S143-E147 WeakPolarHBondContact O-CB 3.45Å; S143-E147 WeakPolarHBondContact O-CG 3.48Å; S143-E147 PolarHBondContact O-N 3.42Å; S143-E147 PolarHBondContact OG-OE1 2.96Å
144F93.8Very high95.7Very high3 Ų354.7 Ų54.71%0.01330%0.297CS..Hα-helixtrans-49.8-54.1-170.8178.5-130000113.6V59 V60 N61 F139 P140 V148V59-F144 HydrophobicContact CB-CZ 4.47Å; V59-F144 HydrophobicContact CG1-CE1 3.68Å; V59-F144 HydrophobicContact CG1-CE2 4.25Å; V59-F144 HydrophobicContact CG1-CZ 3.42Å; V59-F144 VanDerWaalsContact CG1-CZ 3.42Å; V60-F144 WeakPolarHBondContact O-CZ 3.26Å; N61-F144 HydrophobicContact CB-CD1 4.46Å; N61-F144 HydrophobicContact CB-CE1 3.85Å; F139-F144 HydrophobicContact CB-CB 4.17Å; F139-F144 HydrophobicContact CB-CD2 3.68Å; F139-F144 HydrophobicContact CB-CG 4.39Å; F139-F144 AromaticContact CD2-CD2 3.7Å; F139-F144 HydrophobicContact CD2-CD2 3.7Å; F139-F144 AromaticContact CD2-CE2 3.9Å; F139-F144 HydrophobicContact CD2-CE2 3.9Å; F139-F144 AromaticContact CG-CD2 3.95Å; F139-F144 HydrophobicContact CG-CD2 3.95Å; P140-F144 WeakPolarHBondContact O-CB 3.35Å; P140-F144 PolarHBondContact O-N 3.21Å; F144-V148 HydrophobicContact CD2-CG2 3.7Å; F144-V148 HydrophobicContact CE2-CG2 3.59Å; F144-V148 HydrophobicContact CZ-CG2 4.41Å; F144-V148 VanDerWaalsContact O-CB 3.31Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 VanDerWaalsContact O-CG2 3.23Å; F144-V148 WeakPolarHBondContact O-CG2 3.38Å; F144-V148 PolarHBondContact O-N 3.36Å
145Q91.8Very high95.5Very high71 Ų7157.9 Ų57.933%0.33231%0.309SS..Hα-helixtrans-63.1-50.2-178.2-74.2-65.9-30.900112.1E8 S143 E147 V148 W149E8-Q145 PolarHBondContact OE1-NE2 2.96Å; E8-Q145 PolarHBondContact OE1-OE1 3.32Å; S143-Q145 PolarHBondContact O-N 2.8Å; Q145-E147 VanDerWaalsContact C-N 3.32Å; Q145-E147 PolarHBondContact O-N 2.63Å; Q145-V148 PolarHBondContact O-N 2.94Å; Q145-W149 WeakPolarHBondContact O-CB 3.38Å; Q145-W149 PolarHBondContact O-N 2.87Å
146S95.1Very high95.2Very high73 Ų7360.2 Ų60.251%0.5133%0.33SS..Hα-helixtrans-64.3-39.8-175.458.60000111.8S143 T150S143-S146 PolarHBondContact O-N 3.24Å; S143-S146 PolarHBondContact O-OG 3.47Å; S146-T150 WeakPolarHBondContact O-CB 3.29Å; S146-T150 PolarHBondContact O-N 2.98Å; S146-T150 PolarHBondContact O-OG1 3.08Å
147E96.3Very high95Very high61 Ų6167.2 Ų67.229%0.28535%0.348SS..Hα-helixtrans-69.7-45.1178.9-78-158.3-124.500113.3F139 S143 Q145 T150 R151F139-E147 HydrophobicContact CD1-CB 3.92Å; F139-E147 HydrophobicContact CD1-CG 4.45Å; F139-E147 WeakPolarHBondContact CD1-OE2 3.46Å; F139-E147 HydrophobicContact CE1-CB 4.03Å; F139-E147 WeakPolarHBondContact CE1-OE2 3.38Å; S143-E147 WeakPolarHBondContact CB-OE1 3.49Å; S143-E147 WeakPolarHBondContact O-CB 3.45Å; S143-E147 WeakPolarHBondContact O-CG 3.48Å; S143-E147 PolarHBondContact O-N 3.42Å; S143-E147 PolarHBondContact OG-OE1 2.96Å; Q145-E147 VanDerWaalsContact C-N 3.32Å; Q145-E147 PolarHBondContact O-N 2.63Å; E147-T150 PolarHBondContact O-N 3.35Å; E147-R151 PolarHBondContact O-N 3.47Å; E147-R151 PolarHBondContact O-NH1 3.02Å; E147-R151 IonicContact OE2-CZ 2.71Å; E147-R151 IonicContact OE2-NH1 3.66Å; E147-R151 PolarHBondContact OE2-NH1 2.92Å; E147-R151 IonicContact OE2-NH2 3.53Å
148V94.6Very high94.9Very high1 Ų167.7 Ų67.71%0.00635%0.352CS..Hα-helixtrans-65.1-47.4177.8168.80000110.5V59 Y79 F139 F144 Q145 T150 R151 L152V59-V148 HydrophobicContact CB-CG1 4.42Å; V59-V148 HydrophobicContact CG1-CG1 3.97Å; V59-V148 HydrophobicContact CG2-CG1 3.48Å; V59-V148 VanDerWaalsContact CG2-CG1 3.48Å; Y79-V148 HydrophobicContact CD2-CG1 4.04Å; Y79-V148 HydrophobicContact CD2-CG2 4.13Å; Y79-V148 HydrophobicContact CG-CG2 4.16Å; F139-V148 HydrophobicContact CD2-CG2 3.98Å; F139-V148 HydrophobicContact CE2-CG2 3.87Å; F139-V148 HydrophobicContact CZ-CG2 4.46Å; F144-V148 HydrophobicContact CD2-CG2 3.7Å; F144-V148 HydrophobicContact CE2-CG2 3.59Å; F144-V148 HydrophobicContact CZ-CG2 4.41Å; F144-V148 VanDerWaalsContact O-CB 3.31Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 VanDerWaalsContact O-CG2 3.23Å; F144-V148 WeakPolarHBondContact O-CG2 3.38Å; F144-V148 PolarHBondContact O-N 3.36Å; Q145-V148 PolarHBondContact O-N 2.94Å; V148-T150 PolarHBondContact O-N 3.45Å; V148-R151 PolarHBondContact O-N 3.35Å; V148-R151 VanDerWaalsContact O-N 3.12Å; V148-L152 HydrophobicContact CG1-CD1 3.87Å; V148-L152 HydrophobicContact CG1-CG 4.17Å; V148-L152 WeakPolarHBondContact O-CG 3.21Å; V148-L152 PolarHBondContact O-N 3.22Å
149W93.2Very high94.8Very high110 Ų11069.8 Ų69.842%0.41737%0.366SS..Hα-helixtrans-62.2-33.1178-83.4107.3000112.8L6 Q145 L152 K153L6-W149 HydrophobicContact CD2-CH2 3.8Å; L6-W149 HydrophobicContact CD2-CZ2 3.78Å; Q145-W149 WeakPolarHBondContact O-CB 3.38Å; Q145-W149 PolarHBondContact O-N 2.87Å; W149-L152 HydrophobicContact CE3-CD1 4.42Å; W149-K153 WeakPolarHBondContact O-CB 3.34Å; W149-K153 WeakPolarHBondContact O-CG 3.34Å; W149-K153 PolarHBondContact O-N 3.44Å
150T96.1Very high94.7Very high96 Ų9672 Ų7259%0.58938%0.382SS*.Hα-helixtrans-62.5-46.4174.2-63.50000111.1S146 E147 V148 K153 A154S146-T150 WeakPolarHBondContact O-CB 3.29Å; S146-T150 PolarHBondContact O-N 2.98Å; S146-T150 PolarHBondContact O-OG1 3.08Å; E147-T150 PolarHBondContact O-N 3.35Å; V148-T150 PolarHBondContact O-N 3.45Å; T150-K153 PolarHBondContact O-N 3.3Å; T150-A154 PolarHBondContact O-N 3.32Å; T150-A154 VanDerWaalsContact O-N 3.17Å
151R95.4Very high94.6Very high62 Ų6276.8 Ų76.823%0.23440%0.399CS..Hα-helixtrans-63.2-48.2175.5-69.1173.5174.872.7-3.8111.8E137 F139 E147 V148 K153 A154 Y155E137-R151 IonicContact OE1-CZ 3.67Å; E137-R151 IonicContact OE1-NH2 3.22Å; E137-R151 PolarHBondContact OE1-NH2 2.94Å; E137-R151 IonicContact OE2-CZ 3.81Å; E137-R151 IonicContact OE2-NE 3.08Å; E137-R151 PolarHBondContact OE2-NE 3.29Å; E137-R151 IonicContact OE2-NH2 3.09Å; E137-R151 PolarHBondContact OE2-NH2 2.95Å; F139-R151 VanDerWaalsContact CE1-NH1 3.25Å; F139-R151 VanDerWaalsContact CZ-CZ 3.47Å; E147-R151 PolarHBondContact O-N 3.47Å; E147-R151 PolarHBondContact O-NH1 3.02Å; E147-R151 IonicContact OE2-CZ 2.71Å; E147-R151 IonicContact OE2-NH1 3.66Å; E147-R151 PolarHBondContact OE2-NH1 2.92Å; E147-R151 IonicContact OE2-NH2 3.53Å; V148-R151 PolarHBondContact O-N 3.35Å; V148-R151 VanDerWaalsContact O-N 3.12Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 3.15Å; R151-A154 WeakPolarHBondContact O-CA 3.36Å; R151-A154 WeakPolarHBondContact O-CB 3.21Å; R151-A154 PolarHBondContact O-N 3.47Å; R151-Y155 HydrophobicContact CB-CE2 4.07Å; R151-Y155 WeakPolarHBondContact O-CD2 3.34Å; R151-Y155 PolarHBondContact O-N 3.27Å
152L93.4Very high94.8Very high19 Ų1977.3 Ų77.310%0.09941%0.407CS..Hα-helixtrans-60.1-40.2179.7-67.8179.2000112.4L6 V57 V148 W149 A154 Y155 A156L6-L152 HydrophobicContact CD1-CD1 4.01Å; L6-L152 HydrophobicContact CD2-CD1 4.34Å; V57-L152 HydrophobicContact CB-CD2 4.18Å; V57-L152 HydrophobicContact CG1-CD2 3.97Å; V57-L152 HydrophobicContact CG2-CD2 4.18Å; V148-L152 HydrophobicContact CG1-CD1 3.87Å; V148-L152 HydrophobicContact CG1-CG 4.17Å; V148-L152 WeakPolarHBondContact O-CG 3.21Å; V148-L152 PolarHBondContact O-N 3.22Å; W149-L152 HydrophobicContact CE3-CD1 4.42Å; L152-A154 VanDerWaalsContact C-N 3.3Å; L152-A154 PolarHBondContact O-N 2.93Å; L152-Y155 HydrophobicContact CD2-CD2 4.37Å; L152-Y155 PolarHBondContact O-N 3.07Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 2.69Å
153K94.5Very high94.8Very high131 Ų13172.7 Ų72.757%0.5738%0.377SS*.Hα-helixtrans-63.5-35.6174.1-76.5171.6-1761740112.3W149 T150 R151W149-K153 WeakPolarHBondContact O-CB 3.34Å; W149-K153 WeakPolarHBondContact O-CG 3.34Å; W149-K153 PolarHBondContact O-N 3.44Å; T150-K153 PolarHBondContact O-N 3.3Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 3.15Å
154A95.1Very high94.8Very high49 Ų4973 Ų7341%0.40538%0.38SS..Hα-helixtrans-68.3-46.1174.200000111.1T150 R151 L152 A156 R157T150-A154 PolarHBondContact O-N 3.32Å; T150-A154 VanDerWaalsContact O-N 3.17Å; R151-A154 WeakPolarHBondContact O-CA 3.36Å; R151-A154 WeakPolarHBondContact O-CB 3.21Å; R151-A154 PolarHBondContact O-N 3.47Å; L152-A154 VanDerWaalsContact C-N 3.3Å; L152-A154 PolarHBondContact O-N 2.93Å; A154-A156 PolarHBondContact O-N 3.5Å; A154-R157 WeakPolarHBondContact O-CB 3.31Å; A154-R157 PolarHBondContact O-N 3.25Å
155Y94.6Very high94.9Very high71 Ų7177.8 Ų77.828%0.27841%0.405SS..Hα-helixtrans-62-32.5177-57.6-26.1000112.6L77 Y79 R151 L152 R157 L158L77-Y155 HydrophobicContact CD1-CD2 4.41Å; L77-Y155 HydrophobicContact CD1-CE2 3.83Å; Y79-Y155 PolarHBondContact OH-OH 3.34Å; Y79-Y155 VanDerWaalsContact OH-OH 3.05Å; R151-Y155 HydrophobicContact CB-CE2 4.07Å; R151-Y155 WeakPolarHBondContact O-CD2 3.34Å; R151-Y155 PolarHBondContact O-N 3.27Å; L152-Y155 HydrophobicContact CD2-CD2 4.37Å; L152-Y155 PolarHBondContact O-N 3.07Å; Y155-R157 PolarHBondContact O-N 3.16Å; Y155-R157 VanDerWaalsContact O-N 3.14Å; Y155-L158 HydrophobicContact CD1-CD1 4.23Å; Y155-L158 WeakPolarHBondContact O-CB 3.39Å; Y155-L158 PolarHBondContact O-N 2.92Å
156A92.3Very high95.2Very high55 Ų5577.2 Ų77.246%0.45541%0.409SS..THydrogen-bonded Turntrans-65.3-12.1174.800000115.7C3 L152 A154C3-A156 WeakPolarHBondContact SG-CA 3.42Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 2.69Å; A154-A156 PolarHBondContact O-N 3.5Å
157R95.3Very high95.3Very high219 Ų21974.3 Ų74.383%0.82639%0.387SS*.THydrogen-bonded Turntrans-93-8.7174.4-61.3173-177.5178.5-0.8112.9A154 Y155A154-R157 WeakPolarHBondContact O-CB 3.31Å; A154-R157 PolarHBondContact O-N 3.25Å; Y155-R157 PolarHBondContact O-N 3.16Å; Y155-R157 VanDerWaalsContact O-N 3.14Å
158L95.8Very high95.2Very high77 Ų7777.4 Ų77.440%0.40340%0.402SS..SBendtrans-72.9153.6178.6-63174.7000111.2Y155 P160 L163Y155-L158 HydrophobicContact CD1-CD1 4.23Å; Y155-L158 WeakPolarHBondContact O-CB 3.39Å; Y155-L158 PolarHBondContact O-N 2.92Å; L158-P160 VanDerWaalsContact O-CD 3.27Å; L158-P160 WeakPolarHBondContact O-CD 3.46Å; L158-P160 VanDerWaalsContact O-N 3.12Å; L158-L163 HydrophobicContact CB-CD1 3.83Å; L158-L163 HydrophobicContact CB-CG 4.22Å; L158-L163 HydrophobicContact CD1-CD1 4.38Å; L158-L163 HydrophobicContact CD1-CD2 4.09Å
159P96.4Very high95.4Very high86 Ų8683.3 Ų83.356%0.55843%0.433SS*.  trans-60.5113.4178.2-23.934.5000111.9Q161 S162 L163P159-Q161 VanDerWaalsContact C-N 3.35Å; P159-Q161 PolarHBondContact O-N 3.33Å; P159-S162 WeakPolarHBondContact O-CB 3.43Å; P159-S162 PolarHBondContact O-N 3.25Å; P159-S162 VanDerWaalsContact O-N 3.16Å; P159-L163 PolarHBondContact O-N 2.78Å; P159-L163 VanDerWaalsContact O-N 3.12Å
160P94.2Very high95.5Very high52 Ų5284 Ų8434%0.33844%0.443SS..Hα-helixtrans-67.8-32.8-168.324.2-33.8000113.4M1 L158 L163 A164M1-P160 HydrophobicContact SD-CB 3.97Å; M1-P160 HydrophobicContact SD-CG 3.61Å; L158-P160 VanDerWaalsContact O-CD 3.27Å; L158-P160 WeakPolarHBondContact O-CD 3.46Å; L158-P160 VanDerWaalsContact O-N 3.12Å; P160-L163 PolarHBondContact O-N 3.07Å; P160-A164 WeakPolarHBondContact O-CB 3.44Å; P160-A164 PolarHBondContact O-N 3.26Å
161Q95.4Very high95.4Very high158 Ų15881.2 Ų81.274%0.73842%0.422SS*.Hα-helixtrans-68.1-40.3175.9-68.9179.2-6.200111.5P159 L163 A164 L165P159-Q161 VanDerWaalsContact C-N 3.35Å; P159-Q161 PolarHBondContact O-N 3.33Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 2.72Å; Q161-A164 PolarHBondContact O-N 2.98Å; Q161-L165 WeakPolarHBondContact O-CB 3.38Å; Q161-L165 VanDerWaalsContact O-CG 3.32Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 2.84Å
162S96.4Very high95.4Very high66 Ų6681.2 Ų81.246%0.46243%0.432SS..Hα-helixtrans-62.5-43.6176.1-171.10000110.9P159 S166P159-S162 WeakPolarHBondContact O-CB 3.43Å; P159-S162 PolarHBondContact O-N 3.25Å; P159-S162 VanDerWaalsContact O-N 3.16Å; S162-S166 WeakPolarHBondContact O-CB 3.24Å; S162-S166 PolarHBondContact O-N 2.72Å; S162-S166 PolarHBondContact O-OG 3.11Å
163L95.9Very high95.5Very high43 Ų4385.7 Ų85.723%0.22546%0.46CS..Hα-helixtrans-60.4-47.4176.5-74.3176.4000112.4P55 L158 P159 P160 Q161 K167P55-L163 HydrophobicContact CG-CB 3.83Å; P55-L163 HydrophobicContact CG-CD1 4.32Å; P55-L163 HydrophobicContact CG-CD2 4.46Å; P55-L163 HydrophobicContact CG-CG 4.45Å; L158-L163 HydrophobicContact CB-CD1 3.83Å; L158-L163 HydrophobicContact CB-CG 4.22Å; L158-L163 HydrophobicContact CD1-CD1 4.38Å; L158-L163 HydrophobicContact CD1-CD2 4.09Å; P159-L163 PolarHBondContact O-N 2.78Å; P159-L163 VanDerWaalsContact O-N 3.12Å; P160-L163 PolarHBondContact O-N 3.07Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 2.72Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 2.82Å
164A95.8Very high95.5Very high29 Ų2981.5 Ų81.524%0.2444%0.442CS..Hα-helixtrans-63.5-45.9-179.500000112.1P53 P160 Q161 K167 Q168P53-A164 WeakPolarHBondContact O-CB 3.46Å; P160-A164 WeakPolarHBondContact O-CB 3.44Å; P160-A164 PolarHBondContact O-N 3.26Å; Q161-A164 PolarHBondContact O-N 2.98Å; A164-K167 PolarHBondContact O-N 2.9Å; A164-Q168 WeakPolarHBondContact O-CB 3.47Å; A164-Q168 PolarHBondContact O-N 2.74Å
165L96.6Very high95.5Very high104 Ų10482.2 Ų82.255%0.54544%0.436SS..Hα-helixtrans-65.5-42.3178.7-70.6171.7000112Q161 K167 Q168 L169Q161-L165 WeakPolarHBondContact O-CB 3.38Å; Q161-L165 VanDerWaalsContact O-CG 3.32Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 2.84Å; L165-K167 PolarHBondContact O-N 3.45Å; L165-Q168 WeakPolarHBondContact O-CB 3.42Å; L165-Q168 PolarHBondContact O-N 3.47Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.35Å
166S97Very high95.7Very high59 Ų5985.6 Ų85.641%0.41345%0.454SS..Hα-helixtrans-61.2-45175.3-66.30000111.8S162 Q168 L169 I170S162-S166 WeakPolarHBondContact O-CB 3.24Å; S162-S166 PolarHBondContact O-N 2.72Å; S162-S166 PolarHBondContact O-OG 3.11Å; S166-Q168 VanDerWaalsContact C-N 3.32Å; S166-Q168 PolarHBondContact O-N 2.97Å; S166-L169 PolarHBondContact O-N 2.89Å; S166-I170 WeakPolarHBondContact O-CG1 3.31Å; S166-I170 PolarHBondContact O-N 3.41Å; S166-I170 VanDerWaalsContact O-N 3.11Å
167K96.2Very high96Very high12 Ų1289.8 Ų89.85%0.05246%0.458CS..Hα-helixtrans-59.4-44173.7175.8173.9179.7161.90111.6F52 K54 D76 L163 A164 L165 L169 I170 R171F52-K167 WeakPolarHBondContact O-CE 3.2Å; F52-K167 PolarHBondContact O-NZ 3.29Å; K54-K167 VanDerWaalsContact C-CD 3.49Å; K54-K167 VanDerWaalsContact O-CD 3.26Å; K54-K167 WeakPolarHBondContact O-CD 3.22Å; K54-K167 WeakPolarHBondContact O-CE 3.42Å; K54-K167 PolarHBondContact O-NZ 3.28Å; D76-K167 WeakPolarHBondContact OD1-CE 3.2Å; D76-K167 IonicContact OD1-NZ 2.65Å; D76-K167 WeakPolarHBondContact OD2-CD 3.49Å; D76-K167 VanDerWaalsContact OD2-CE 3.26Å; D76-K167 WeakPolarHBondContact OD2-CE 3.37Å; D76-K167 IonicContact OD2-NZ 2.8Å; D76-K167 PolarHBondContact OD2-NZ 3.42Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 2.82Å; A164-K167 PolarHBondContact O-N 2.9Å; L165-K167 PolarHBondContact O-N 3.45Å; K167-L169 VanDerWaalsContact C-N 3.33Å; K167-L169 PolarHBondContact O-N 3.14Å; K167-I170 PolarHBondContact O-N 2.64Å; K167-R171 WeakPolarHBondContact O-CB 3.38Å; K167-R171 PolarHBondContact O-N 2.82Å
168Q96.1Very high96.1Very high126 Ų12679.4 Ų79.459%0.58942%0.419SS*.Hα-helixtrans-59.9-44.2179.4-176.3-178.8-6.900111.4A164 L165 S166 I170 R171 S172A164-Q168 WeakPolarHBondContact O-CB 3.47Å; A164-Q168 PolarHBondContact O-N 2.74Å; L165-Q168 WeakPolarHBondContact O-CB 3.42Å; L165-Q168 PolarHBondContact O-N 3.47Å; S166-Q168 VanDerWaalsContact C-N 3.32Å; S166-Q168 PolarHBondContact O-N 2.97Å; Q168-I170 PolarHBondContact O-N 3.17Å; Q168-R171 PolarHBondContact O-N 3.37Å; Q168-S172 WeakPolarHBondContact O-CB 3.48Å; Q168-S172 PolarHBondContact O-N 3.15Å; Q168-S172 PolarHBondContact O-OG 2.81Å
169L97.1Very high96.3Very high126 Ų12677.7 Ų77.766%0.6641%0.408SS*.Hα-helixtrans-59.3-47.7176-70.3171.5000111.3L165 S166 K167 R171 S172L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.35Å; S166-L169 PolarHBondContact O-N 2.89Å; K167-L169 VanDerWaalsContact C-N 3.33Å; K167-L169 PolarHBondContact O-N 3.14Å; L169-R171 PolarHBondContact O-N 2.88Å; L169-S172 PolarHBondContact O-OG 3.32Å
170I95.6Very high96.4Very high123 Ų12376 Ų7663%0.63140%0.402SS*.Hα-helixtrans-60.8-46177.9-65.8164.6000111.5S166 K167 Q168S166-I170 WeakPolarHBondContact O-CG1 3.31Å; S166-I170 PolarHBondContact O-N 3.41Å; S166-I170 VanDerWaalsContact O-N 3.11Å; K167-I170 PolarHBondContact O-N 2.64Å; Q168-I170 PolarHBondContact O-N 3.17Å
171R95.4Very high96.6Very high38 Ų3874.1 Ų74.114%0.14339%0.389CS..Hα-helixtrans-77.6-32.7-174.4-172.459.960.9178.50.7113.1L74 K167 Q168 L169 V173 E174 K175L74-R171 PolarHBondContact O-NH2 2.94Å; K167-R171 WeakPolarHBondContact O-CB 3.38Å; K167-R171 PolarHBondContact O-N 2.82Å; Q168-R171 PolarHBondContact O-N 3.37Å; L169-R171 PolarHBondContact O-N 2.88Å; R171-V173 VanDerWaalsContact C-N 3.26Å; R171-V173 PolarHBondContact O-N 2.98Å; R171-E174 PolarHBondContact O-N 3.46Å; R171-E174 VanDerWaalsContact O-N 3.12Å; R171-K175 PolarHBondContact O-N 3.43Å; R171-K175 VanDerWaalsContact O-N 3.12Å
172S94.4Very high96.8Very high62 Ų6266.7 Ų66.743%0.43435%0.354SS..Hα-helixtrans-57.2-36.9-171.5630000113.6Q168 L169 E174 K175Q168-S172 WeakPolarHBondContact O-CB 3.48Å; Q168-S172 PolarHBondContact O-N 3.15Å; Q168-S172 PolarHBondContact O-OG 2.81Å; L169-S172 PolarHBondContact O-OG 3.32Å; S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 3.4Å; S172-K175 PolarHBondContact O-N 2.73Å
173V95Very high96.9Very high114 Ų11465.4 Ų65.469%0.69134%0.342SS*.THydrogen-bonded Turntrans-70.6-22.6-177.2-53.80000113.3R171R171-V173 VanDerWaalsContact C-N 3.26Å; R171-V173 PolarHBondContact O-N 2.98Å
174E94.3Very high97Very high42 Ų4265.6 Ų65.620%0.19635%0.35CS..THydrogen-bonded Turntrans-106.6-6.9-179.3-65-64.9166.700112.5Y103 R107 R171 S172 E176 R177 L178Y103-E174 WeakPolarHBondContact CE1-OE2 3.38Å; Y103-E174 PolarHBondContact OH-OE2 3.46Å; R107-E174 IonicContact CZ-OE1 3.46Å; R107-E174 IonicContact NH1-OE1 3.39Å; R107-E174 PolarHBondContact NH1-OE1 3.07Å; R107-E174 IonicContact NH2-OE1 2.98Å; R107-E174 PolarHBondContact NH2-OE1 2.93Å; R171-E174 PolarHBondContact O-N 3.46Å; R171-E174 VanDerWaalsContact O-N 3.12Å; S172-E174 VanDerWaalsContact C-N 3.27Å; S172-E174 PolarHBondContact O-N 3.4Å; E174-E176 PolarHBondContact O-N 2.87Å; E174-R177 WeakPolarHBondContact O-CB 3.17Å; E174-R177 PolarHBondContact O-N 3.35Å; E174-R177 VanDerWaalsContact O-N 3.15Å; E174-L178 HydrophobicContact CB-CD1 4.1Å; E174-L178 HydrophobicContact CB-CG 4.38Å; E174-L178 VanDerWaalsContact O-CG 3.32Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 3.5Å
175K96.3Very high97.1Very high64 Ų6464.7 Ų64.728%0.27834%0.341SS..Hα-helixtrans-61.9-51.5-164.1-164.9173.9-179.1-177.70113.3I50 D51 R171 S172 R177 L178 Y179I50-K175 HydrophobicContact CG2-CG 3.91Å; D51-K175 WeakPolarHBondContact OD1-CE 3.24Å; D51-K175 IonicContact OD1-NZ 3.34Å; D51-K175 PolarHBondContact OD1-NZ 3.38Å; R171-K175 PolarHBondContact O-N 3.43Å; R171-K175 VanDerWaalsContact O-N 3.12Å; S172-K175 PolarHBondContact O-N 2.73Å; K175-R177 VanDerWaalsContact C-N 3.27Å; K175-R177 PolarHBondContact O-N 3.41Å; K175-L178 PolarHBondContact O-N 2.95Å; K175-Y179 HydrophobicContact CD-CE2 4.34Å; K175-Y179 WeakPolarHBondContact CE-OH 3.45Å; K175-Y179 HydrophobicContact CG-CD2 4.43Å; K175-Y179 HydrophobicContact CG-CE2 3.86Å; K175-Y179 WeakPolarHBondContact O-CD2 3.29Å; K175-Y179 PolarHBondContact O-N 3.44Å
176E97.9Very high97.2Very high142 Ų14259.8 Ų59.866%0.66432%0.315SS*.Hα-helixtrans-62.6-36.3177-64.4-52.6134.300112E174 Y179 A180E174-E176 PolarHBondContact O-N 2.87Å; E176-Y179 PolarHBondContact O-N 3.37Å; E176-A180 PolarHBondContact O-N 2.93Å
177R98.4Very high97.3Very high143 Ų14361.4 Ų61.454%0.5432%0.316SS..Hα-helixtrans-65.1-43.5176.4-177.358178.3174.82.4111.3Y103 E174 K175 Y179 A180 V181Y103-R177 HydrophobicContact CE1-CG 4.04Å; Y103-R177 HydrophobicContact CE2-CG 3.97Å; E174-R177 WeakPolarHBondContact O-CB 3.17Å; E174-R177 PolarHBondContact O-N 3.35Å; E174-R177 VanDerWaalsContact O-N 3.15Å; K175-R177 VanDerWaalsContact C-N 3.27Å; K175-R177 PolarHBondContact O-N 3.41Å; R177-Y179 VanDerWaalsContact C-N 3.35Å; R177-A180 PolarHBondContact O-N 3.34Å; R177-V181 HydrophobicContact CG-CG2 4.48Å; R177-V181 VanDerWaalsContact O-CG2 3.24Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.82Å
178L98.6Very high97.4Very high2 Ų266.5 Ų66.51%0.0134%0.335CS..Hα-helixtrans-64.6-38.1177.8-69.6167.7000111.9I50 L74 C100 Y103 T104 E174 K175 V181 N182I50-L178 HydrophobicContact CD1-CB 3.81Å; I50-L178 HydrophobicContact CG1-CB 4.11Å; I50-L178 HydrophobicContact CG2-CB 4.21Å; I50-L178 HydrophobicContact CG2-CD1 4.44Å; L74-L178 HydrophobicContact CD2-CD1 4.2Å; L74-L178 HydrophobicContact CD2-CD2 3.93Å; C100-L178 HydrophobicContact CB-CD2 3.96Å; C100-L178 PolarHBondContact SG-O 3.07Å; C100-L178 VanDerWaalsContact SG-O 3.42Å; Y103-L178 HydrophobicContact CD1-CD2 3.79Å; Y103-L178 HydrophobicContact CE1-CD2 4.19Å; T104-L178 HydrophobicContact CG2-CD2 3.92Å; E174-L178 HydrophobicContact CB-CD1 4.1Å; E174-L178 HydrophobicContact CB-CG 4.38Å; E174-L178 VanDerWaalsContact O-CG 3.32Å; E174-L178 WeakPolarHBondContact O-CG 3.43Å; E174-L178 PolarHBondContact O-N 3.5Å; K175-L178 PolarHBondContact O-N 2.95Å; L178-V181 PolarHBondContact O-N 2.82Å; L178-N182 WeakPolarHBondContact O-CB 3.48Å; L178-N182 PolarHBondContact O-N 3.26Å
179Y98.7Very high97.4Very high40 Ų4060.5 Ų60.516%0.15731%0.307CS..Hα-helixtrans-61.9-48.8173.1-68.2-39.8000112.4R47 I50 D51 K175 E176 R177 V181 N182 D183R47-Y179 HydrophobicContact CB-CE1 4.39Å; R47-Y179 HydrophobicContact CG-CD1 3.93Å; R47-Y179 HydrophobicContact CG-CE1 3.92Å; I50-Y179 HydrophobicContact CB-CE1 4.14Å; I50-Y179 HydrophobicContact CD1-CD1 3.9Å; I50-Y179 HydrophobicContact CD1-CE1 4.29Å; I50-Y179 HydrophobicContact CG2-CD1 4.05Å; I50-Y179 HydrophobicContact CG2-CE1 3.67Å; D51-Y179 PolarHBondContact OD1-OH 2.67Å; D51-Y179 PolarHBondContact OD2-OH 2.93Å; K175-Y179 HydrophobicContact CD-CE2 4.34Å; K175-Y179 WeakPolarHBondContact CE-OH 3.45Å; K175-Y179 HydrophobicContact CG-CD2 4.43Å; K175-Y179 HydrophobicContact CG-CE2 3.86Å; K175-Y179 WeakPolarHBondContact O-CD2 3.29Å; K175-Y179 PolarHBondContact O-N 3.44Å; E176-Y179 PolarHBondContact O-N 3.37Å; R177-Y179 VanDerWaalsContact C-N 3.35Å; Y179-V181 VanDerWaalsContact C-N 3.31Å; Y179-V181 PolarHBondContact O-N 2.91Å; Y179-N182 PolarHBondContact O-N 2.88Å; Y179-D183 PolarHBondContact O-N 3.5Å
180A98.8Very high97.4Very high52 Ų5257.8 Ų57.843%0.4329%0.292SS..Hα-helixtrans-61.4-40178.800000112.2E176 R177 A184E176-A180 PolarHBondContact O-N 2.93Å; R177-A180 PolarHBondContact O-N 3.34Å; A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.85Å
181V98.8Very high97.4Very high12 Ų1256.4 Ų56.47%0.07328%0.283CS..Hα-helixtrans-64.2-48.5175.7170.70000110.8C100 Y103 R177 L178 Y179 D183 A184 E185C100-V181 HydrophobicContact CB-CG1 4.18Å; Y103-V181 HydrophobicContact CD2-CG2 4.4Å; Y103-V181 HydrophobicContact CG-CG2 4.03Å; R177-V181 HydrophobicContact CG-CG2 4.48Å; R177-V181 VanDerWaalsContact O-CG2 3.24Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.82Å; L178-V181 PolarHBondContact O-N 2.82Å; Y179-V181 VanDerWaalsContact C-N 3.31Å; Y179-V181 PolarHBondContact O-N 2.91Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-D183 PolarHBondContact O-N 2.92Å; V181-A184 PolarHBondContact O-N 3.41Å; V181-E185 HydrophobicContact CG1-CG 4.31Å; V181-E185 WeakPolarHBondContact O-CG 3.44Å; V181-E185 PolarHBondContact O-N 3.16Å
182N98.8Very high97.5Very high1 Ų157.7 Ų57.71%0.00529%0.288CS..Hα-helixtrans-58.9-44.5178.5-177.940.3000111.7R43 V46 I50 L178 Y179 A184 E185 V186R43-N182 PolarHBondContact O-ND2 3.48Å; V46-N182 VanDerWaalsContact CB-OD1 3.31Å; V46-N182 WeakPolarHBondContact CB-OD1 3.47Å; V46-N182 HydrophobicContact CG1-CB 4.18Å; V46-N182 WeakPolarHBondContact CG1-OD1 3.43Å; I50-N182 HydrophobicContact CD1-CB 4.47Å; L178-N182 WeakPolarHBondContact O-CB 3.48Å; L178-N182 PolarHBondContact O-N 3.26Å; Y179-N182 PolarHBondContact O-N 2.88Å; N182-A184 PolarHBondContact O-N 3.09Å; N182-E185 PolarHBondContact O-N 3Å; N182-V186 WeakPolarHBondContact O-CB 3.48Å; N182-V186 WeakPolarHBondContact O-CG2 3.25Å; N182-V186 PolarHBondContact O-N 3.34Å
183D98.7Very high97.5Very high39 Ų3955.8 Ų55.821%0.20927%0.271CS..Hα-helixtrans-62.8-44.1179-70-21.7000111.3R43 R47 Y179 V181 V186 E187R43-D183 WeakPolarHBondContact CD-OD1 3.15Å; R43-D183 WeakPolarHBondContact CG-OD1 3.45Å; R43-D183 IonicContact NE-OD1 3.82Å; R43-D183 PolarHBondContact NE-OD1 3.35Å; R47-D183 IonicContact CZ-OD1 3.23Å; R47-D183 IonicContact CZ-OD2 3.98Å; R47-D183 IonicContact NE-OD1 2.74Å; R47-D183 IonicContact NH2-OD1 3.69Å; R47-D183 PolarHBondContact NH2-OD1 3.17Å; R47-D183 IonicContact NH2-OD2 3.78Å; R47-D183 PolarHBondContact NH2-OD2 3.34Å; Y179-D183 PolarHBondContact O-N 3.5Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-D183 PolarHBondContact O-N 2.92Å; D183-V186 PolarHBondContact O-N 3.03Å; D183-E187 WeakPolarHBondContact O-CG 3.22Å; D183-E187 PolarHBondContact O-N 2.83Å
184A98.8Very high97.5Very high48 Ų4852.8 Ų52.840%0.39725%0.253SS..Hα-helixtrans-64.1-43.8176.900000112.9A180 V181 N182 E187 R188A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.85Å; V181-A184 PolarHBondContact O-N 3.41Å; N182-A184 PolarHBondContact O-N 3.09Å; A184-E187 PolarHBondContact O-N 3.31Å; A184-R188 WeakPolarHBondContact O-CG 3.48Å; A184-R188 PolarHBondContact O-N 3.43Å; A184-R188 VanDerWaalsContact O-N 3.11Å
185E98.8Very high97.5Very high10 Ų1052.1 Ų52.15%0.04725%0.253CS..Hα-helixtrans-61.4-44.9176.3-76178.4171.100111.6E98 G99 C100 S101 S102 V181 N182 E187 R188 L189E98-E185 WeakPolarHBondContact CA-OE2 3.33Å; G99-E185 PolarHBondContact N-OE2 3.14Å; G99-E185 VanDerWaalsContact N-OE2 3.11Å; C100-E185 VanDerWaalsContact C-OE1 3.3Å; C100-E185 WeakPolarHBondContact CA-OE1 3.34Å; C100-E185 WeakPolarHBondContact CA-OE2 3.32Å; C100-E185 PolarHBondContact N-OE2 3.05Å; S101-E185 PolarHBondContact N-OE1 3.26Å; S102-E185 WeakPolarHBondContact CB-OE1 3.18Å; S102-E185 PolarHBondContact N-OE1 3.2Å; S102-E185 PolarHBondContact OG-OE1 2.8Å; V181-E185 HydrophobicContact CG1-CG 4.31Å; V181-E185 WeakPolarHBondContact O-CG 3.44Å; V181-E185 PolarHBondContact O-N 3.16Å; N182-E185 PolarHBondContact O-N 3Å; E185-E187 PolarHBondContact O-N 3.22Å; E185-R188 PolarHBondContact O-N 3.34Å; E185-L189 PolarHBondContact O-N 3.14Å
186V98.5Very high97.5Very high1 Ų156.8 Ų56.81%0.00628%0.276CS..Hα-helixtrans-62.6-41178.1167.10000111.6A39 L42 R43 N182 D183 L189 M190A39-V186 HydrophobicContact CB-CG1 3.55Å; A39-V186 WeakPolarHBondContact O-CG1 3.38Å; L42-V186 HydrophobicContact CB-CG2 4.39Å; L42-V186 HydrophobicContact CD2-CG2 4Å; L42-V186 HydrophobicContact CG-CG2 3.99Å; R43-V186 HydrophobicContact CB-CG1 4.41Å; R43-V186 HydrophobicContact CB-CG2 4.15Å; N182-V186 WeakPolarHBondContact O-CB 3.48Å; N182-V186 WeakPolarHBondContact O-CG2 3.25Å; N182-V186 PolarHBondContact O-N 3.34Å; D183-V186 PolarHBondContact O-N 3.03Å; V186-L189 PolarHBondContact O-N 2.64Å; V186-M190 WeakPolarHBondContact O-CB 3.29Å; V186-M190 PolarHBondContact O-N 2.76Å
187E98.1Very high97.3Very high92 Ų9255.9 Ų55.943%0.4327%0.272SS..Hα-helixtrans-61.2-46.2175.5-76174.3-175.800111.9D183 A184 E185 L189 M190 E191D183-E187 WeakPolarHBondContact O-CG 3.22Å; D183-E187 PolarHBondContact O-N 2.83Å; A184-E187 PolarHBondContact O-N 3.31Å; E185-E187 PolarHBondContact O-N 3.22Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.14Å; E187-M190 PolarHBondContact O-N 3.44Å; E187-E191 PolarHBondContact O-N 3.49Å; E187-E191 VanDerWaalsContact O-N 3.15Å
188R98.1Very high97.2Very high119 Ų11949.1 Ų49.145%0.44925%0.246SC..Hα-helixtrans-61.8-43.4176-63.9-51.1104.1-178.5-0.6111A184 E185 M190 E191 R192A184-R188 WeakPolarHBondContact O-CG 3.48Å; A184-R188 PolarHBondContact O-N 3.43Å; A184-R188 VanDerWaalsContact O-N 3.11Å; E185-R188 PolarHBondContact O-N 3.34Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 3.38Å; R188-E191 IonicContact CZ-OE1 3.54Å; R188-E191 IonicContact CZ-OE2 2.84Å; R188-E191 IonicContact NE-OE1 3.4Å; R188-E191 IonicContact NE-OE2 3.28Å; R188-E191 IonicContact NH1-OE1 3.6Å; R188-E191 PolarHBondContact NH1-OE1 3.42Å; R188-E191 VanDerWaalsContact NH1-OE1 3.08Å; R188-E191 IonicContact NH1-OE2 3.29Å; R188-E191 PolarHBondContact NH1-OE2 3.14Å; R188-E191 IonicContact NH2-OE1 4Å; R188-E191 PolarHBondContact NH2-OE1 2.94Å; R188-E191 WeakPolarHBondContact O-CB 3.45Å; R188-E191 PolarHBondContact O-N 2.94Å; R188-R192 VanDerWaalsContact O-CG 3.31Å; R188-R192 WeakPolarHBondContact O-CG 3.44Å; R188-R192 PolarHBondContact O-N 2.81Å
189L96.9Very high96.8Very high0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-62.1-40.5178.1-87.1177.5000112.8L42 Q95 S96 E98 E185 V186 E187 E191 R192 W193L42-L189 HydrophobicContact CD2-CD1 3.34Å; Q95-L189 HydrophobicContact CB-CD2 3.96Å; Q95-L189 HydrophobicContact CG-CD2 4.41Å; S96-L189 WeakPolarHBondContact OG-CG 3.01Å; E98-L189 HydrophobicContact CB-CD1 3.62Å; E98-L189 HydrophobicContact CG-CD1 4.47Å; E185-L189 PolarHBondContact O-N 3.14Å; V186-L189 PolarHBondContact O-N 2.64Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.14Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.09Å; L189-R192 CarbonylContact O-C 3.31Å; L189-R192 WeakPolarHBondContact O-CA 3.48Å; L189-R192 WeakPolarHBondContact O-CB 3.38Å; L189-R192 PolarHBondContact O-N 2.98Å; L189-W193 HydrophobicContact CB-CD2 4.42Å; L189-W193 HydrophobicContact CB-CH2 4.14Å; L189-W193 HydrophobicContact CB-CZ2 3.94Å; L189-W193 HydrophobicContact CB-CZ3 4.44Å; L189-W193 HydrophobicContact CD1-CH2 4.31Å; L189-W193 HydrophobicContact CD1-CZ2 3.88Å; L189-W193 HydrophobicContact CD2-CZ2 4.23Å; L189-W193 HydrophobicContact CG-CZ2 4.27Å; L189-W193 VanDerWaalsContact O-CG 3.24Å; L189-W193 PolarHBondContact O-N 3.17Å
190M96.6Very high96.6Very high69 Ų6956.3 Ų56.334%0.3428%0.282SS..Hα-helixtrans-60.1-42.8175.7-170.2178.865.700111.3A35 A39 V186 E187 R188 R192 T194A35-M190 HydrophobicContact CB-CG 3.97Å; A39-M190 HydrophobicContact CB-CB 4.18Å; A39-M190 HydrophobicContact CB-CG 4.29Å; A39-M190 HydrophobicContact CB-SD 4.17Å; V186-M190 WeakPolarHBondContact O-CB 3.29Å; V186-M190 PolarHBondContact O-N 2.76Å; E187-M190 PolarHBondContact O-N 3.44Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 3.38Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 3.33Å; M190-T194 WeakPolarHBondContact O-CG2 3.35Å
191E96.4Very high96.4Very high95 Ų9554.9 Ų54.944%0.44427%0.271SS..Hα-helixtrans-58.7-46.6171.4-65.1168.8-17200110.5E187 R188 L189 T194E187-E191 PolarHBondContact O-N 3.49Å; E187-E191 VanDerWaalsContact O-N 3.15Å; R188-E191 IonicContact CZ-OE1 3.54Å; R188-E191 IonicContact CZ-OE2 2.84Å; R188-E191 IonicContact NE-OE1 3.4Å; R188-E191 IonicContact NE-OE2 3.28Å; R188-E191 IonicContact NH1-OE1 3.6Å; R188-E191 PolarHBondContact NH1-OE1 3.42Å; R188-E191 VanDerWaalsContact NH1-OE1 3.08Å; R188-E191 IonicContact NH1-OE2 3.29Å; R188-E191 PolarHBondContact NH1-OE2 3.14Å; R188-E191 IonicContact NH2-OE1 4Å; R188-E191 PolarHBondContact NH2-OE1 2.94Å; R188-E191 WeakPolarHBondContact O-CB 3.45Å; R188-E191 PolarHBondContact O-N 2.94Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.09Å; E191-T194 PolarHBondContact O-N 3.39Å; E191-T194 PolarHBondContact O-OG1 3.19Å
192R96.1Very high96Very high65 Ų6554.4 Ų54.425%0.24527%0.268CS..Hα-helixtrans-62.9-44.5-179.2-67.2-46.8-54.9-178.1-2.4113.5G94 R188 L189 M190 T194 S195 E197 C198G94-R192 PolarHBondContact O-NE 3.05Å; G94-R192 PolarHBondContact O-NH2 3.17Å; R188-R192 VanDerWaalsContact O-CG 3.31Å; R188-R192 WeakPolarHBondContact O-CG 3.44Å; R188-R192 PolarHBondContact O-N 2.81Å; L189-R192 CarbonylContact O-C 3.31Å; L189-R192 WeakPolarHBondContact O-CA 3.48Å; L189-R192 WeakPolarHBondContact O-CB 3.38Å; L189-R192 PolarHBondContact O-N 2.98Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 3.33Å; R192-T194 PolarHBondContact O-N 3.26Å; R192-T194 VanDerWaalsContact O-N 3.14Å; R192-S195 PolarHBondContact NH2-OG 3.33Å; R192-S195 VanDerWaalsContact O-CB 3.29Å; R192-S195 WeakPolarHBondContact O-CB 3.45Å; R192-S195 PolarHBondContact O-N 3.18Å; R192-S195 PolarHBondContact O-OG 3.48Å; R192-E197 IonicContact CZ-OE2 3.42Å; R192-E197 IonicContact NH1-OE2 2.8Å; R192-E197 PolarHBondContact NH1-OE2 3.15Å; R192-E197 IonicContact NH2-OE2 2.63Å; R192-E197 PolarHBondContact NH2-OE2 2.86Å; R192-C198 WeakPolarHBondContact O-CB 3.37Å
193W94.9Very high95.6Very high22 Ų2257.7 Ų57.78%0.08328%0.284CS..Hα-helixtrans-65.1-18.2-178-63.9-28.2000113.9F23 A35 A39 L42 L189F23-W193 HydrophobicContact CE1-CB 4.03Å; F23-W193 AromaticContact CE1-CD1 3.48Å; F23-W193 VanDerWaalsContact CE1-CD1 3.48Å; F23-W193 AromaticContact CE1-CG 3.86Å; F23-W193 HydrophobicContact CE1-CG 3.86Å; F23-W193 AromaticContact CZ-CD1 3.34Å; F23-W193 AromaticContact CZ-CG 4Å; F23-W193 HydrophobicContact CZ-CG 4Å; F23-W193 AromaticContact CZ-NE1 3.58Å; A35-W193 HydrophobicContact CB-CB 4.22Å; A35-W193 HydrophobicContact CB-CE3 4.35Å; A39-W193 HydrophobicContact CB-CZ3 4.16Å; L42-W193 HydrophobicContact CD2-CH2 4Å; L42-W193 HydrophobicContact CD2-CZ2 4.36Å; L189-W193 HydrophobicContact CB-CD2 4.42Å; L189-W193 HydrophobicContact CB-CH2 4.14Å; L189-W193 HydrophobicContact CB-CZ2 3.94Å; L189-W193 HydrophobicContact CB-CZ3 4.44Å; L189-W193 HydrophobicContact CD1-CH2 4.31Å; L189-W193 HydrophobicContact CD1-CZ2 3.88Å; L189-W193 HydrophobicContact CD2-CZ2 4.23Å; L189-W193 HydrophobicContact CG-CZ2 4.27Å; L189-W193 VanDerWaalsContact O-CG 3.24Å; L189-W193 PolarHBondContact O-N 3.17Å
194T94.3Very high95.3Very high50 Ų5059 Ų5931%0.30730%0.296SS..THydrogen-bonded Turntrans-95-2174.269.10000113.4V31 A35 M190 E191 R192V31-T194 HydrophobicContact CG1-CG2 4.2Å; A35-T194 HydrophobicContact CB-CG2 3.69Å; M190-T194 WeakPolarHBondContact O-CG2 3.35Å; E191-T194 PolarHBondContact O-N 3.39Å; E191-T194 PolarHBondContact O-OG1 3.19Å; R192-T194 PolarHBondContact O-N 3.26Å; R192-T194 VanDerWaalsContact O-N 3.14Å
195S96.1Very high94.9Very high28 Ų2860.9 Ų60.920%0.19630%0.296CS..SBendtrans-85.7147.6-177.675.10000113.1R192 E197 C198 F199R192-S195 PolarHBondContact NH2-OG 3.33Å; R192-S195 VanDerWaalsContact O-CB 3.29Å; R192-S195 WeakPolarHBondContact O-CB 3.45Å; R192-S195 PolarHBondContact O-N 3.18Å; R192-S195 PolarHBondContact O-OG 3.48Å; S195-E197 VanDerWaalsContact C-N 3.27Å; S195-E197 PolarHBondContact O-N 3.1Å; S195-C198 PolarHBondContact O-N 2.83Å; S195-C198 WeakPolarHBondContact OG-CB 3.46Å; S195-C198 PolarHBondContact OG-N 2.91Å; S195-F199 PolarHBondContact O-N 3.15Å; S195-F199 VanDerWaalsContact O-N 3.14Å
196E94.5Very high94.3Very high163 Ų16363.3 Ų63.376%0.76231%0.306SS*.Hα-helixtrans-60.9-36.9173.3-65.4-175.4172.600112.2F199 N200E196-F199 PolarHBondContact O-N 3.35Å; E196-N200 VanDerWaalsContact O-CB 3.32Å; E196-N200 WeakPolarHBondContact O-CB 3.33Å; E196-N200 PolarHBondContact O-N 2.94Å; E196-N200 PolarHBondContact O-ND2 2.87Å
197E95.6Very high93.7Very high123 Ų12369 Ų6958%0.57533%0.333SS*.Hα-helixtrans-62.8-46.5-179.8-178.9-179.2-16000111.6R192 S195 A201R192-E197 IonicContact CZ-OE2 3.42Å; R192-E197 IonicContact NH1-OE2 2.8Å; R192-E197 PolarHBondContact NH1-OE2 3.15Å; R192-E197 IonicContact NH2-OE2 2.63Å; R192-E197 PolarHBondContact NH2-OE2 2.86Å; S195-E197 VanDerWaalsContact C-N 3.27Å; S195-E197 PolarHBondContact O-N 3.1Å; E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 3.29Å
198C94.8Very high92.9Very high0 Ų067.3 Ų67.30%033%0.334CS..Hα-helixtrans-63.5-45.2175.4-175.80000111.5R192 S195 N200 A201 V202R192-C198 WeakPolarHBondContact O-CB 3.37Å; S195-C198 PolarHBondContact O-N 2.83Å; S195-C198 WeakPolarHBondContact OG-CB 3.46Å; S195-C198 PolarHBondContact OG-N 2.91Å; C198-N200 PolarHBondContact O-N 3.15Å; C198-A201 PolarHBondContact O-N 2.87Å; C198-V202 WeakPolarHBondContact O-CG2 3.5Å; C198-V202 PolarHBondContact O-N 2.87Å
199F91.6Very high91.8Very high103 Ų10368.1 Ų68.145%0.45234%0.341SS..Hα-helixtrans-58.2-50.6178.6179.4-97.2000111.8S195 E196 A201 V202 M203S195-F199 PolarHBondContact O-N 3.15Å; S195-F199 VanDerWaalsContact O-N 3.14Å; E196-F199 PolarHBondContact O-N 3.35Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 3.18Å; F199-V202 PolarHBondContact O-N 3.28Å; F199-M203 HydrophobicContact CD1-CG 4.24Å; F199-M203 HydrophobicContact CD2-CG 4.49Å; F199-M203 HydrophobicContact CE1-CG 3.86Å; F199-M203 HydrophobicContact CE2-CG 4.13Å; F199-M203 HydrophobicContact CE2-SD 4.42Å; F199-M203 HydrophobicContact CZ-CG 3.79Å; F199-M203 HydrophobicContact CZ-SD 4.26Å; F199-M203 WeakPolarHBondContact O-CB 3.2Å; F199-M203 VanDerWaalsContact O-CG 3.31Å; F199-M203 WeakPolarHBondContact O-CG 3.32Å; F199-M203 PolarHBondContact O-N 2.72Å
200N93.9Very high90.4Very high90 Ų9072.2 Ų72.248%0.48138%0.375SS..Hα-helixtrans-62.4-39.2-179.7-70.8-25.6000112.1E196 C198 S204E196-N200 VanDerWaalsContact O-CB 3.32Å; E196-N200 WeakPolarHBondContact O-CB 3.33Å; E196-N200 PolarHBondContact O-N 2.94Å; E196-N200 PolarHBondContact O-ND2 2.87Å; C198-N200 PolarHBondContact O-N 3.15Å; N200-S204 WeakPolarHBondContact O-CB 3.39Å; N200-S204 PolarHBondContact O-N 3.32Å; N200-S204 PolarHBondContact O-OG 2.95Å
201A94.5Very high88.6Confident22 Ų2277.7 Ų77.718%0.18240%0.397CS..Hα-helixtrans-65.6-45.8177.600000112E197 C198 F199 S204 F205E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 3.29Å; C198-A201 PolarHBondContact O-N 2.87Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 3.18Å; A201-S204 PolarHBondContact O-N 3.39Å; A201-F205 PolarHBondContact O-N 3.15Å
202V91.1Very high86.4Confident2 Ų283 Ų831%0.01243%0.427CS..Hα-helixtrans-63.9-43.1177.3171.50000111.3F23 C198 F199 S204 F205 F206F23-V202 HydrophobicContact CB-CG1 4.03Å; F23-V202 HydrophobicContact CD2-CG1 4.34Å; F23-V202 HydrophobicContact CG-CG1 4.21Å; C198-V202 WeakPolarHBondContact O-CG2 3.5Å; C198-V202 PolarHBondContact O-N 2.87Å; F199-V202 PolarHBondContact O-N 3.28Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.23Å; V202-F205 WeakPolarHBondContact O-CB 3.31Å; V202-F205 PolarHBondContact O-N 3.47Å; V202-F206 HydrophobicContact CG1-CD2 3.97Å; V202-F206 HydrophobicContact CG1-CE2 3.59Å; V202-F206 VanDerWaalsContact O-CD2 3.24Å; V202-F206 WeakPolarHBondContact O-CD2 3.33Å; V202-F206 PolarHBondContact O-N 3.09Å; V202-F206 VanDerWaalsContact O-N 3.15Å
203M90.5Very high85.9Confident71 Ų7183.9 Ų83.935%0.3544%0.436SS..Hα-helixtrans-63.1-41175.9-69.5-58.1-69.900112F199 F205 F206 Q207F199-M203 HydrophobicContact CD1-CG 4.24Å; F199-M203 HydrophobicContact CD2-CG 4.49Å; F199-M203 HydrophobicContact CE1-CG 3.86Å; F199-M203 HydrophobicContact CE2-CG 4.13Å; F199-M203 HydrophobicContact CE2-SD 4.42Å; F199-M203 HydrophobicContact CZ-CG 3.79Å; F199-M203 HydrophobicContact CZ-SD 4.26Å; F199-M203 WeakPolarHBondContact O-CB 3.2Å; F199-M203 VanDerWaalsContact O-CG 3.31Å; F199-M203 WeakPolarHBondContact O-CG 3.32Å; F199-M203 PolarHBondContact O-N 2.72Å; M203-F205 VanDerWaalsContact C-N 3.31Å; M203-F205 PolarHBondContact O-N 3.31Å; M203-F206 PolarHBondContact O-N 3.44Å; M203-Q207 WeakPolarHBondContact O-CG 3.24Å; M203-Q207 PolarHBondContact O-N 2.97Å; M203-Q207 VanDerWaalsContact O-N 3.09Å
204S91.8Very high85.4Confident67 Ų6787.2 Ų87.247%0.46946%0.455SS..Hα-helixtrans-61.9-38.8175.3-59.90000111.9N200 A201 V202 Q207 A208N200-S204 WeakPolarHBondContact O-CB 3.39Å; N200-S204 PolarHBondContact O-N 3.32Å; N200-S204 PolarHBondContact O-OG 2.95Å; A201-S204 PolarHBondContact O-N 3.39Å; V202-S204 VanDerWaalsContact C-N 3.34Å; V202-S204 PolarHBondContact O-N 3.23Å; S204-Q207 PolarHBondContact O-N 3.36Å; S204-A208 PolarHBondContact O-N 3.36Å
205F89.4Confident84.9Confident86 Ų8689.2 Ų89.238%0.37746%0.463SS..Hα-helixtrans-60.6-45.8175174.6-94.2000112.1L20 L93 A201 V202 M203 Q207 A208 K209L20-F205 HydrophobicContact CD1-CD1 3.81Å; L20-F205 HydrophobicContact CD1-CE1 3.84Å; L20-F205 HydrophobicContact CD1-CG 4.43Å; L20-F205 HydrophobicContact CD1-CZ 4.46Å; L93-F205 HydrophobicContact CD2-CB 4.07Å; L93-F205 HydrophobicContact CD2-CD2 4.24Å; L93-F205 HydrophobicContact CD2-CG 4.14Å; A201-F205 PolarHBondContact O-N 3.15Å; V202-F205 WeakPolarHBondContact O-CB 3.31Å; V202-F205 PolarHBondContact O-N 3.47Å; M203-F205 VanDerWaalsContact C-N 3.31Å; M203-F205 PolarHBondContact O-N 3.31Å; F205-Q207 PolarHBondContact O-N 3.33Å; F205-A208 PolarHBondContact O-N 3.47Å; F205-K209 PolarHBondContact O-N 3.01Å
206F87.1Confident84.3Confident61 Ų6192.8 Ų92.827%0.26848%0.479SS..Hα-helixtrans-62.9-40.4177-76.8-62.1000112.8L20 T24 V202 M203 K209 A210L20-F206 HydrophobicContact CB-CE2 4.25Å; L20-F206 HydrophobicContact CB-CZ 3.82Å; L20-F206 WeakPolarHBondContact O-CZ 3.44Å; T24-F206 HydrophobicContact CG2-CE2 4.19Å; V202-F206 HydrophobicContact CG1-CD2 3.97Å; V202-F206 HydrophobicContact CG1-CE2 3.59Å; V202-F206 VanDerWaalsContact O-CD2 3.24Å; V202-F206 WeakPolarHBondContact O-CD2 3.33Å; V202-F206 PolarHBondContact O-N 3.09Å; V202-F206 VanDerWaalsContact O-N 3.15Å; M203-F206 PolarHBondContact O-N 3.44Å; F206-K209 PolarHBondContact O-N 2.99Å; F206-A210 PolarHBondContact O-N 3.48Å
207Q85.5Confident83.6Confident122 Ų12288.4 Ų88.457%0.5746%0.461SS*.Hα-helixtrans-64.6-40.4176.6-71.1177.70.600112.5M203 S204 F205 A210M203-Q207 WeakPolarHBondContact O-CG 3.24Å; M203-Q207 PolarHBondContact O-N 2.97Å; M203-Q207 VanDerWaalsContact O-N 3.09Å; S204-Q207 PolarHBondContact O-N 3.36Å; F205-Q207 PolarHBondContact O-N 3.33Å; Q207-A210 PolarHBondContact O-N 3.05Å
208A81.6Confident82.8Confident56 Ų5686.1 Ų86.146%0.46345%0.454SS..Hα-helixtrans-65.6-40.7176.400000111.5S204 F205 A210 K211S204-A208 PolarHBondContact O-N 3.36Å; F205-A208 PolarHBondContact O-N 3.47Å; A208-A210 PolarHBondContact O-N 3.27Å; A208-K211 PolarHBondContact O-N 3.48Å
209K75.4Confident82Confident136 Ų13692.3 Ų92.359%0.59149%0.486SS*.Hα-helixtrans-65.1-36.2177.6-172176.9178.8-178.10112.8F205 F206 K211 L212F205-K209 PolarHBondContact O-N 3.01Å; F206-K209 PolarHBondContact O-N 2.99Å; K209-K211 PolarHBondContact O-N 3.25Å; K209-L212 PolarHBondContact O-N 3.31Å
210A66.9Low81.3Confident86 Ų8691.5 Ų91.571%0.71149%0.489SS*.THydrogen-bonded Turntrans-69.2-12.2178.600000114.2F206 Q207 A208F206-A210 PolarHBondContact O-N 3.48Å; Q207-A210 PolarHBondContact O-N 3.05Å; A208-A210 PolarHBondContact O-N 3.27Å
211K58.2Low80.2Confident183 Ų18391.6 Ų91.680%0.79649%0.489SS*.THydrogen-bonded Turntrans-94.9-5.9178.1-67.5178.3-178.6179.90113.6A208 K209A208-K211 PolarHBondContact O-N 3.48Å; K209-K211 PolarHBondContact O-N 3.25Å
212L50.6Low78.9Confident207 Ų20797.9 Ų97.9100%1.08452%0.517SS*.  trans-96.70176.6-73.1163.8000109.9K209K209-L212 PolarHBondContact O-N 3.31Å

Retrieved 212 of 212 residues in 67.5 ms (Link to these results)

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