A0A087XTI0_POEFO Loading...

RELT like 2

AlphaFold DB , UniProt , Accession A0A087XTI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.9Very low47.6Very low242 Ų242140.5 Ų140.5100%1.19283%0.831SS**  0980-78.6163.5170.800106
2T44.3Very low48.7Very low145 Ų145143.3 Ų143.389%0.8983%0.829SS**  -142.4121.295.435.30000111.5
3K48.1Very low49.8Very low187 Ų187139.2 Ų139.281%0.81381%0.81SS**  trans-97115.5171172.5178.2178.4166.20106.1
4L48.3Very low51.7Low169 Ų169131.9 Ų131.989%0.88577%0.77SS**  trans-136.575155.8-68.9177.9000105
5A45.6Very low53.6Low75 Ų75128.7 Ų128.762%0.6276%0.758SS**  59.783.692.900000109.8S7A5-S7 PolarHBondContact O-N 3.42Å; A5-S7 VanDerWaalsContact O-N 3.14Å
6A49.9Very low55.5Low101 Ų101129.8 Ų129.884%0.83575%0.746SS**  trans-47.3113154.900000108.5E8A6-E8 VanDerWaalsContact C-N 3.33Å; A6-E8 PolarHBondContact O-N 3.14Å
7S43.6Very low57.5Low111 Ų111126.4 Ų126.478%0.77672%0.724SS**  trans-93.177.2165.3-174.40000107.1A5 A9A5-S7 PolarHBondContact O-N 3.42Å; A5-S7 VanDerWaalsContact O-N 3.14Å; S7-A9 PolarHBondContact O-N 3.15Å
8E49.9Very low59.2Low196 Ų196125.1 Ų125.192%0.91671%0.713SS**  trans-67.5104.2152.7-114.9-172.2130.400106.5A6A6-E8 VanDerWaalsContact C-N 3.33Å; A6-E8 PolarHBondContact O-N 3.14Å
9A43.5Very low60.8Low68 Ų68126.6 Ų126.656%0.56271%0.711SS**  trans-120.994164.200000106.3S7 E11S7-A9 PolarHBondContact O-N 3.15Å; A9-E11 PolarHBondContact O-N 3.23Å; A9-E11 VanDerWaalsContact O-N 3.15Å
10G55.6Low62.4Low85 Ų85125 Ų12588%0.87670%0.7SS**  trans-69.3100.6166.200000108.7
11E47.3Very low63.8Low167 Ų167123.2 Ų123.278%0.7869%0.692SS**  trans-135.5134.6166.7-99.9167.1125.700107.6A9A9-E11 PolarHBondContact O-N 3.23Å; A9-E11 VanDerWaalsContact O-N 3.15Å
12H60.4Low66Low174 Ų174114.7 Ų114.781%0.80665%0.653SS**  trans-20.5130.4178-125.6-97.2000113.2P14H12-P14 WeakPolarHBondContact O-CA 2.95Å; H12-P14 WeakPolarHBondContact O-CD 3.48Å; H12-P14 WeakPolarHBondContact O-CG 3.42Å
13P62.5Low68.4Low89 Ų89113.2 Ų113.258%0.57864%0.635SS**  trans-49.5108.7-178.221.5-32.3000107.4S15P13-S15 PolarHBondContact O-N 3.34Å
14P76.4Confident70.6Confident38 Ų38108.9 Ų108.925%0.24762%0.62CS.*  trans-62.6140.3-169.6-31.440000108.1H12 Y16 I17H12-P14 WeakPolarHBondContact O-CA 2.95Å; H12-P14 WeakPolarHBondContact O-CD 3.48Å; H12-P14 WeakPolarHBondContact O-CG 3.42Å; P14-Y16 HydrophobicContact CB-CD1 3.11Å; P14-Y16 HydrophobicContact CB-CD2 4.36Å; P14-Y16 HydrophobicContact CB-CE1 2.91Å; P14-Y16 HydrophobicContact CB-CE2 4.18Å; P14-Y16 HydrophobicContact CB-CG 3.84Å; P14-Y16 VanDerWaalsContact CB-CZ 3.47Å; P14-Y16 HydrophobicContact CG-CD1 4.09Å; P14-Y16 HydrophobicContact CG-CE1 3.37Å; P14-Y16 HydrophobicContact CG-CE2 4.47Å; P14-Y16 PolarHBondContact O-N 3.32Å; P14-I17 HydrophobicContact CB-CG1 4.47Å; P14-I17 HydrophobicContact CG-CD1 4.46Å; P14-I17 WeakPolarHBondContact O-CB 3.45Å; P14-I17 PolarHBondContact O-N 2.93Å
15S79.9Confident72.9Confident84 Ų84107.8 Ų107.859%0.58761%0.608SS**Hα-helixtrans-51.4-27.4-177.7-500000112.1P13 I17 I18 F19P13-S15 PolarHBondContact O-N 3.34Å; S15-I17 VanDerWaalsContact C-N 3.34Å; S15-I17 PolarHBondContact O-N 3.4Å; S15-I18 PolarHBondContact O-N 3.26Å; S15-F19 WeakPolarHBondContact O-CD2 3.32Å; S15-F19 PolarHBondContact O-N 2.87Å
16Y85Confident75.3Confident146 Ų146110 Ų11057%0.57361%0.605SS**Hα-helixtrans-59.3-34.7172.674.4-111.9000114.1P14 I18 F19 L20P14-Y16 HydrophobicContact CB-CD1 3.11Å; P14-Y16 HydrophobicContact CB-CD2 4.36Å; P14-Y16 HydrophobicContact CB-CE1 2.91Å; P14-Y16 HydrophobicContact CB-CE2 4.18Å; P14-Y16 HydrophobicContact CB-CG 3.84Å; P14-Y16 VanDerWaalsContact CB-CZ 3.47Å; P14-Y16 HydrophobicContact CG-CD1 4.09Å; P14-Y16 HydrophobicContact CG-CE1 3.37Å; P14-Y16 HydrophobicContact CG-CE2 4.47Å; P14-Y16 PolarHBondContact O-N 3.32Å; Y16-I18 VanDerWaalsContact C-N 3.31Å; Y16-I18 PolarHBondContact O-N 3.2Å; Y16-F19 PolarHBondContact O-N 2.87Å; Y16-L20 HydrophobicContact CD2-CD1 4.04Å; Y16-L20 VanDerWaalsContact O-CG 3.26Å; Y16-L20 WeakPolarHBondContact O-CG 3.26Å; Y16-L20 PolarHBondContact O-N 3.22Å
17I88.5Confident77.5Confident72 Ų72109.2 Ų109.237%0.36959%0.586SS.*Hα-helixtrans-63.8-40.9177.6-61.4-170.9000110P14 S15 L20 V21P14-I17 HydrophobicContact CB-CG1 4.47Å; P14-I17 HydrophobicContact CG-CD1 4.46Å; P14-I17 WeakPolarHBondContact O-CB 3.45Å; P14-I17 PolarHBondContact O-N 2.93Å; S15-I17 VanDerWaalsContact C-N 3.34Å; S15-I17 PolarHBondContact O-N 3.4Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-V21 HydrophobicContact CG2-CG2 4.26Å; I17-V21 VanDerWaalsContact O-CG2 3.32Å; I17-V21 WeakPolarHBondContact O-CG2 3.45Å; I17-V21 PolarHBondContact O-N 3.33Å
18I89Confident79.9Confident103 Ų103108.1 Ų108.153%0.52857%0.574SS.*Hα-helixtrans-64.6-45.2178.5-55.4170.3000109.6S15 Y16 L20 V21 V22S15-I18 PolarHBondContact O-N 3.26Å; Y16-I18 VanDerWaalsContact C-N 3.31Å; Y16-I18 PolarHBondContact O-N 3.2Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.41Å; I18-V21 PolarHBondContact O-N 3.5Å; I18-V22 HydrophobicContact CG2-CG2 4.41Å; I18-V22 WeakPolarHBondContact O-CB 3.26Å; I18-V22 VanDerWaalsContact O-CG2 3.26Å; I18-V22 WeakPolarHBondContact O-CG2 3.38Å; I18-V22 PolarHBondContact O-N 2.75Å
19F90.1Very high82Confident153 Ų153100.8 Ų100.867%0.67155%0.551SS**Hα-helixtrans-59.1-40.6173.5-72.3-67.2000112.3S15 Y16 F23S15-F19 WeakPolarHBondContact O-CD2 3.32Å; S15-F19 PolarHBondContact O-N 2.87Å; Y16-F19 PolarHBondContact O-N 2.87Å; F19-F23 WeakPolarHBondContact O-CB 3.05Å; F19-F23 PolarHBondContact O-N 2.85Å
20L91.2Very high84.5Confident94 Ų94103.1 Ų103.149%0.49255%0.553SS.*Hα-helixtrans-66.4-44.6176.4-71174.5000112.1Y16 I17 I18 V22 F23 L24Y16-L20 HydrophobicContact CD2-CD1 4.04Å; Y16-L20 VanDerWaalsContact O-CG 3.26Å; Y16-L20 WeakPolarHBondContact O-CG 3.26Å; Y16-L20 PolarHBondContact O-N 3.22Å; I17-L20 PolarHBondContact O-N 3.46Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.41Å; L20-V22 PolarHBondContact O-N 3.31Å; L20-F23 PolarHBondContact O-N 2.83Å; L20-L24 VanDerWaalsContact O-CB 3.32Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 2.8Å
21V92.4Very high86.4Confident88 Ų88103.5 Ų103.553%0.53354%0.535SS..Hα-helixtrans-63-44.5178.1171.10000110.7I17 I18 L24 F25I17-V21 HydrophobicContact CG2-CG2 4.26Å; I17-V21 VanDerWaalsContact O-CG2 3.32Å; I17-V21 WeakPolarHBondContact O-CG2 3.45Å; I17-V21 PolarHBondContact O-N 3.33Å; I18-V21 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 2.91Å; V21-F25 VanDerWaalsContact O-CB 3.31Å; V21-F25 WeakPolarHBondContact O-CB 3.03Å; V21-F25 PolarHBondContact O-N 3.43Å
22V94.3Very high88.5Confident63 Ų6397 Ų9738%0.38251%0.513SS..Hα-helixtrans-64.7-43.4176.8169.90000110.8I18 L20 F25 F26I18-V22 HydrophobicContact CG2-CG2 4.41Å; I18-V22 WeakPolarHBondContact O-CB 3.26Å; I18-V22 VanDerWaalsContact O-CG2 3.26Å; I18-V22 WeakPolarHBondContact O-CG2 3.38Å; I18-V22 PolarHBondContact O-N 2.75Å; L20-V22 PolarHBondContact O-N 3.31Å; V22-F25 WeakPolarHBondContact O-CB 3.14Å; V22-F25 PolarHBondContact O-N 2.88Å; V22-F26 HydrophobicContact CG1-CD2 3.62Å; V22-F26 HydrophobicContact CG1-CE2 3.17Å; V22-F26 HydrophobicContact CG1-CZ 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.46Å; V22-F26 WeakPolarHBondContact O-CG 3.31Å; V22-F26 PolarHBondContact O-N 2.87Å
23F95.1Very high90.1Very high114 Ų11495.3 Ų95.350%0.550%0.503SS..Hα-helixtrans-61.7-45.4175.4178.5-106.4000112F19 L20 F25 F26 L27F19-F23 WeakPolarHBondContact O-CB 3.05Å; F19-F23 PolarHBondContact O-N 2.85Å; L20-F23 PolarHBondContact O-N 2.83Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 3.4Å; F23-F26 PolarHBondContact O-N 2.81Å; F23-L27 HydrophobicContact CD1-CD1 3.81Å; F23-L27 HydrophobicContact CD1-CG 4.26Å; F23-L27 HydrophobicContact CE1-CD1 3.25Å; F23-L27 HydrophobicContact CE1-CG 3.93Å; F23-L27 HydrophobicContact CE2-CD1 4.42Å; F23-L27 HydrophobicContact CE2-CD2 4.32Å; F23-L27 HydrophobicContact CE2-CG 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.61Å; F23-L27 HydrophobicContact CZ-CD2 4.05Å; F23-L27 HydrophobicContact CZ-CG 3.93Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.71Å
24L94.4Very high91.5Very high97 Ų9795.5 Ų95.551%0.50850%0.499SS..Hα-helixtrans-63.7-38.1174.9-70.2172.2000111.4L20 V21 F26 L27 T28L20-L24 VanDerWaalsContact O-CB 3.32Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 2.8Å; V21-L24 PolarHBondContact O-N 2.91Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 2.96Å; L24-T28 WeakPolarHBondContact O-CB 3.25Å; L24-T28 VanDerWaalsContact O-CG2 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.32Å; L24-T28 PolarHBondContact O-N 3.14Å; L24-T28 PolarHBondContact O-OG1 2.81Å
25F95.9Very high92.2Very high145 Ų14597.5 Ų97.564%0.63651%0.507SS*.Hα-helixtrans-62.8-41.1173.7-174.6-99.4000111.6V21 V22 F23 T28 G29V21-F25 VanDerWaalsContact O-CB 3.31Å; V21-F25 WeakPolarHBondContact O-CB 3.03Å; V21-F25 PolarHBondContact O-N 3.43Å; V22-F25 WeakPolarHBondContact O-CB 3.14Å; V22-F25 PolarHBondContact O-N 2.88Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 3.4Å; F25-T28 WeakPolarHBondContact CA-OG1 3.48Å; F25-T28 PolarHBondContact O-OG1 3.25Å; F25-T28 VanDerWaalsContact O-OG1 3.14Å; F25-G29 WeakPolarHBondContact O-CA 3.36Å; F25-G29 PolarHBondContact O-N 2.81Å
26F96.2Very high92.5Very high123 Ų12396.2 Ų96.254%0.53950%0.497SS..Hα-helixtrans-66-45173.5-72.4-56.5000112.4V22 F23 L24 G29 L30V22-F26 HydrophobicContact CG1-CD2 3.62Å; V22-F26 HydrophobicContact CG1-CE2 3.17Å; V22-F26 HydrophobicContact CG1-CZ 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.46Å; V22-F26 WeakPolarHBondContact O-CG 3.31Å; V22-F26 PolarHBondContact O-N 2.87Å; F23-F26 PolarHBondContact O-N 2.81Å; L24-F26 VanDerWaalsContact C-N 3.34Å; F26-G29 PolarHBondContact O-N 3.47Å; F26-L30 VanDerWaalsContact O-CB 3.31Å; F26-L30 WeakPolarHBondContact O-CB 3.45Å; F26-L30 VanDerWaalsContact O-CG 3.23Å; F26-L30 WeakPolarHBondContact O-CG 3.41Å; F26-L30 PolarHBondContact O-N 3.35Å
27L95.7Very high92.7Very high84 Ų8494.1 Ų94.144%0.4449%0.492SS..Hα-helixtrans-61.8-47.1177.3-71.4-176.6000111.7F23 L24 L31F23-L27 HydrophobicContact CD1-CD1 3.81Å; F23-L27 HydrophobicContact CD1-CG 4.26Å; F23-L27 HydrophobicContact CE1-CD1 3.25Å; F23-L27 HydrophobicContact CE1-CG 3.93Å; F23-L27 HydrophobicContact CE2-CD1 4.42Å; F23-L27 HydrophobicContact CE2-CD2 4.32Å; F23-L27 HydrophobicContact CE2-CG 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.61Å; F23-L27 HydrophobicContact CZ-CD2 4.05Å; F23-L27 HydrophobicContact CZ-CG 3.93Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.71Å; L24-L27 PolarHBondContact O-N 2.96Å; L27-L31 WeakPolarHBondContact O-CB 3.13Å; L27-L31 PolarHBondContact O-N 3.4Å
28T93.9Very high92.7Very high88 Ų8895.1 Ų95.154%0.5450%0.498SS..Hα-helixtrans-67.7-36.917853.30000112L24 F25 G32L24-T28 WeakPolarHBondContact O-CB 3.25Å; L24-T28 VanDerWaalsContact O-CG2 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.32Å; L24-T28 PolarHBondContact O-N 3.14Å; L24-T28 PolarHBondContact O-OG1 2.81Å; F25-T28 WeakPolarHBondContact CA-OG1 3.48Å; F25-T28 PolarHBondContact O-OG1 3.25Å; F25-T28 VanDerWaalsContact O-OG1 3.14Å; T28-G32 PolarHBondContact O-N 3.05Å
29G95.1Very high92.6Very high41 Ų4193.2 Ų93.242%0.42349%0.489SS..Hα-helixtrans-67.5-44.4174.900000113.2F25 F26 G32 F33F25-G29 WeakPolarHBondContact O-CA 3.36Å; F25-G29 PolarHBondContact O-N 2.81Å; F26-G29 PolarHBondContact O-N 3.47Å; G29-G32 PolarHBondContact O-N 2.95Å; G29-F33 PolarHBondContact O-N 2.82Å
30L95.6Very high92.3Very high117 Ų11793.7 Ų93.761%0.61349%0.49SS*.Hα-helixtrans-68.6-36.9175.1-69.3176.6000111.7F26 G32 F33 L34F26-L30 VanDerWaalsContact O-CB 3.31Å; F26-L30 WeakPolarHBondContact O-CB 3.45Å; F26-L30 VanDerWaalsContact O-CG 3.23Å; F26-L30 WeakPolarHBondContact O-CG 3.41Å; F26-L30 PolarHBondContact O-N 3.35Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-F33 PolarHBondContact O-N 3.27Å; L30-L34 VanDerWaalsContact O-CB 3.25Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.2Å
31L94.7Very high91.9Very high94 Ų9497.5 Ų97.549%0.49250%0.503SS..Hα-helixtrans-62.5-43.6172.2-178.762.7000110.7L27 L34 I35L27-L31 WeakPolarHBondContact O-CB 3.13Å; L27-L31 PolarHBondContact O-N 3.4Å; L31-L34 PolarHBondContact O-N 2.84Å; L31-I35 HydrophobicContact CD1-CD1 4.06Å; L31-I35 HydrophobicContact CD1-CG1 4.3Å; L31-I35 HydrophobicContact CG-CD1 3.82Å; L31-I35 HydrophobicContact CG-CG1 4.48Å; L31-I35 WeakPolarHBondContact O-CB 3.27Å; L31-I35 WeakPolarHBondContact O-CD1 3.34Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 3.21Å
32G93.1Very high91.3Very high31 Ų31101.2 Ų101.232%0.3251%0.512SS..Hα-helixtrans-58-4917300000111.8T28 G29 L30 L34 I35 C36T28-G32 PolarHBondContact O-N 3.05Å; G29-G32 PolarHBondContact O-N 2.95Å; L30-G32 VanDerWaalsContact C-N 3.34Å; G32-L34 PolarHBondContact O-N 2.81Å; G32-I35 PolarHBondContact O-N 2.97Å; G32-C36 WeakPolarHBondContact O-CB 3.38Å; G32-C36 PolarHBondContact O-N 3Å; G32-C36 PolarHBondContact O-SG 3.43Å
33F92.6Very high90.3Very high137 Ų137101.2 Ų101.260%0.60152%0.524SS*.Hα-helixtrans-60.9-42.1175.7179.2-98.1000112.8G29 L30 C36 H37G29-F33 PolarHBondContact O-N 2.82Å; L30-F33 PolarHBondContact O-N 3.27Å; F33-C36 PolarHBondContact O-N 2.85Å; F33-H37 WeakPolarHBondContact O-CB 3.21Å; F33-H37 PolarHBondContact O-N 2.85Å
34L91.6Very high89.3Confident93 Ų93102.9 Ų102.949%0.48753%0.529SS..Hα-helixtrans-63.6-45.1178.4-179.262.1000111L30 L31 G32 H37 L38L30-L34 VanDerWaalsContact O-CB 3.25Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.2Å; L31-L34 PolarHBondContact O-N 2.84Å; G32-L34 PolarHBondContact O-N 2.81Å; L34-H37 PolarHBondContact O-N 3.32Å; L34-L38 HydrophobicContact CD1-CD1 4.31Å; L34-L38 HydrophobicContact CD1-CG 4.42Å; L34-L38 HydrophobicContact CG-CD1 4.08Å; L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.14Å
35I91.1Very high88.1Confident81 Ų81105.9 Ų105.942%0.41554%0.54SS..Hα-helixtrans-60.8-48.8174.3-67.1164.1000109.4L31 G32 H37 L38 L39L31-I35 HydrophobicContact CD1-CD1 4.06Å; L31-I35 HydrophobicContact CD1-CG1 4.3Å; L31-I35 HydrophobicContact CG-CD1 3.82Å; L31-I35 HydrophobicContact CG-CG1 4.48Å; L31-I35 WeakPolarHBondContact O-CB 3.27Å; L31-I35 WeakPolarHBondContact O-CD1 3.34Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 3.21Å; G32-I35 PolarHBondContact O-N 2.97Å; I35-H37 VanDerWaalsContact C-N 3.29Å; I35-H37 PolarHBondContact O-N 2.85Å; I35-L38 PolarHBondContact O-N 3.36Å; I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 HydrophobicContact CG2-CG 4.14Å; I35-L39 VanDerWaalsContact O-CB 3.31Å; I35-L39 WeakPolarHBondContact O-CB 3.47Å; I35-L39 WeakPolarHBondContact O-CG 3.19Å; I35-L39 PolarHBondContact O-N 2.91Å
36C87.4Confident86.5Confident56 Ų56102.2 Ų102.238%0.37853%0.531SS..Hα-helixtrans-57.1-40.2176.4-690000112.6G32 F33 K40G32-C36 WeakPolarHBondContact O-CB 3.38Å; G32-C36 PolarHBondContact O-N 3Å; G32-C36 PolarHBondContact O-SG 3.43Å; F33-C36 PolarHBondContact O-N 2.85Å; C36-K40 WeakPolarHBondContact O-CB 3.31Å; C36-K40 PolarHBondContact O-N 3.34Å
37H88.9Confident84.8Confident102 Ų102105.8 Ų105.847%0.47254%0.541SS..Hα-helixtrans-72.6-36.9179.6-170.7-86.1000112.4F33 L34 I35 K41F33-H37 WeakPolarHBondContact O-CB 3.21Å; F33-H37 PolarHBondContact O-N 2.85Å; L34-H37 PolarHBondContact O-N 3.32Å; I35-H37 VanDerWaalsContact C-N 3.29Å; I35-H37 PolarHBondContact O-N 2.85Å; H37-K41 WeakPolarHBondContact O-CB 3.43Å; H37-K41 PolarHBondContact O-N 2.84Å
38L89.1Confident82.5Confident94 Ų94108.5 Ų108.549%0.49256%0.562SS.*Hα-helixtrans-67.9-41.1174.5-71.5169.3000111.5L34 I35 K41 K42L34-L38 HydrophobicContact CD1-CD1 4.31Å; L34-L38 HydrophobicContact CD1-CG 4.42Å; L34-L38 HydrophobicContact CG-CD1 4.08Å; L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.14Å; I35-L38 PolarHBondContact O-N 3.36Å; L38-K41 PolarHBondContact O-N 2.94Å; L38-K42 WeakPolarHBondContact O-CB 3.2Å; L38-K42 PolarHBondContact O-N 3.28Å
39L86.9Confident80.3Confident63 Ų63107.4 Ų107.433%0.3357%0.568SS.*Hα-helixtrans-61.9-48.9173.3-72.6177.9000110.1I35 K41 K42 G43 Y44I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 HydrophobicContact CG2-CG 4.14Å; I35-L39 VanDerWaalsContact O-CB 3.31Å; I35-L39 WeakPolarHBondContact O-CB 3.47Å; I35-L39 WeakPolarHBondContact O-CG 3.19Å; I35-L39 PolarHBondContact O-N 2.91Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.13Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 2.85Å; L39-G43 PolarHBondContact O-N 2.96Å; L39-G43 VanDerWaalsContact O-N 3.13Å; L39-Y44 CarbonylContact C-O 3.31Å; L39-Y44 VanDerWaalsContact C-O 3.31Å; L39-Y44 HydrophobicContact CD2-CD2 3.95Å; L39-Y44 HydrophobicContact CD2-CG 3.89Å; L39-Y44 WeakPolarHBondContact O-CA 3.43Å; L39-Y44 WeakPolarHBondContact O-CB 3.23Å; L39-Y44 PolarHBondContact O-N 3.1Å
40K83.7Confident78Confident162 Ų162108.8 Ų108.870%0.70457%0.565SS**Hα-helixtrans-57.6-42.1174.9-178.5175.7172.7171.40112.8C36 K42 G43 Y44C36-K40 WeakPolarHBondContact O-CB 3.31Å; C36-K40 PolarHBondContact O-N 3.34Å; K40-K42 VanDerWaalsContact C-N 3.27Å; K40-K42 PolarHBondContact O-N 2.95Å; K40-G43 PolarHBondContact O-N 3.32Å; K40-Y44 PolarHBondContact N-O 3.32Å
41K81.3Confident75.8Confident175 Ų175111 Ų11176%0.76158%0.577SS**Hα-helixtrans-70.4-23.9178.5-170.5175178179.80112.9H37 L38 L39H37-K41 WeakPolarHBondContact O-CB 3.43Å; H37-K41 PolarHBondContact O-N 2.84Å; L38-K41 PolarHBondContact O-N 2.94Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.13Å
42K80.4Confident73.2Confident166 Ų166114.8 Ų114.872%0.72259%0.592SS**THydrogen-bonded Turntrans-92.93.6175.8-83.5179.9165.5178.80113.6L38 L39 K40 Y44L38-K42 WeakPolarHBondContact O-CB 3.2Å; L38-K42 PolarHBondContact O-N 3.28Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 2.85Å; K40-K42 VanDerWaalsContact C-N 3.27Å; K40-K42 PolarHBondContact O-N 2.95Å; K42-Y44 HydrophobicContact CB-CD2 3.58Å; K42-Y44 HydrophobicContact CB-CE2 3.71Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å
43G74.4Confident70.8Confident62 Ų62119.7 Ų119.764%0.63961%0.611SS**THydrogen-bonded Turntrans87.71.1-179.300000114.9L39 K40 H45L39-G43 PolarHBondContact O-N 2.96Å; L39-G43 VanDerWaalsContact O-N 3.13Å; K40-G43 PolarHBondContact O-N 3.32Å; G43-H45 PolarHBondContact O-N 3.3Å
44Y73.8Confident68.4Low150 Ų150121.5 Ų121.559%0.58862%0.621SS**  trans-79.1108.2175.2-61.7-89.2000109.8L39 K40 K42L39-Y44 CarbonylContact C-O 3.31Å; L39-Y44 VanDerWaalsContact C-O 3.31Å; L39-Y44 HydrophobicContact CD2-CD2 3.95Å; L39-Y44 HydrophobicContact CD2-CG 3.89Å; L39-Y44 WeakPolarHBondContact O-CA 3.43Å; L39-Y44 WeakPolarHBondContact O-CB 3.23Å; L39-Y44 PolarHBondContact O-N 3.1Å; K40-Y44 PolarHBondContact N-O 3.32Å; K42-Y44 HydrophobicContact CB-CD2 3.58Å; K42-Y44 HydrophobicContact CB-CE2 3.71Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å
45H69.1Low65.9Low160 Ų160126.4 Ų126.474%0.74164%0.639SS**  trans-73.5127.5170.9-107.1-97.9000109.9G43 R47G43-H45 PolarHBondContact O-N 3.3Å; H45-R47 VanDerWaalsContact C-N 3.28Å; H45-R47 PolarHBondContact O-N 3.23Å
46C63Low63.2Low68 Ų68132 Ų13246%0.45966%0.663SS.*  trans-69.685.1174.1-62.50000109.5T48C46-T48 PolarHBondContact O-N 3.41Å
47R59.8Low61.2Low197 Ų197138.3 Ų138.374%0.74368%0.684SS**  trans-78.572.4172.1-164.6176.8174.797.4-1.5108.5H45 G49 D50H45-R47 VanDerWaalsContact C-N 3.28Å; H45-R47 PolarHBondContact O-N 3.23Å; R47-G49 PolarHBondContact O-N 3.01Å; R47-D50 HydrophobicContact CG-CB 4.25Å; R47-D50 IonicContact CZ-OD2 3.81Å; R47-D50 IonicContact NE-OD2 2.97Å; R47-D50 PolarHBondContact NE-OD2 3.37Å; R47-D50 IonicContact NH2-OD2 3.82Å
48T48Very low58.8Low142 Ų142141.1 Ų141.187%0.87170%0.702SS**THydrogen-bonded Turntrans-71.583.8172.5-600000108.3C46C46-T48 PolarHBondContact O-N 3.41Å
49G47.9Very low56.1Low65 Ų65139.9 Ų139.967%0.6771%0.712SS**THydrogen-bonded Turntrans169.51177.800000116.2R47R47-G49 PolarHBondContact O-N 3.01Å
50D45.8Very low54Low69 Ų69145.7 Ų145.737%0.36974%0.737SS.*  trans-115.348.8-173.4-146.9-8.5000112.7R47 E52R47-D50 HydrophobicContact CG-CB 4.25Å; R47-D50 IonicContact CZ-OD2 3.81Å; R47-D50 IonicContact NE-OD2 2.97Å; R47-D50 PolarHBondContact NE-OD2 3.37Å; R47-D50 IonicContact NH2-OD2 3.82Å; D50-E52 VanDerWaalsContact C-N 3.28Å
51L48.7Very low51.8Low165 Ų165145.5 Ų145.586%0.86474%0.744SS**SBendtrans-95.817.2165.7-67.9177.3000111.1
52E41.6Very low50.2Low173 Ų173146.1 Ų146.181%0.80875%0.749SS**SBendtrans-102.8-21.9-179.5-57.3-164.9-177.300113.1D50 E54D50-E52 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 2.97Å
53D41.5Very low48.4Very low134 Ų134146 Ų14672%0.71776%0.757SS**  trans-102.943.9-176.1-70.6-28.4000113.9K55D53-K55 PolarHBondContact O-N 2.96Å
54E42.4Very low46.8Very low174 Ų174149.8 Ų149.881%0.81376%0.762SS**  trans-75.554.7159.8-72.1-80.4148.800110E52E52-E54 PolarHBondContact O-N 2.97Å
55K39.5Very low45.7Very low196 Ų196151.8 Ų151.885%0.85278%0.777SS**  trans-168.545.2172.7-121.2178.3-164.7-169.20119.1D53D53-K55 PolarHBondContact O-N 2.96Å
56E34.1Very low44.6Very low200 Ų200150 Ų15094%0.93577%0.773SS**  trans-146.2118.2152-142.6159.8-173.300114.2
57K45Very low44Very low187 Ų187151.2 Ų151.281%0.81378%0.775SS**  trans-104.2113.4-178.1167.6-174.9-177.2-72.30107.1
58L39.3Very low43.8Very low162 Ų162151.6 Ų151.685%0.84879%0.785SS**  trans179.6110.6147.6-129.564.6000107.9
59G32.9Very low44.3Very low68 Ų68150.1 Ų150.170%0.70177%0.772SS**  109.194.889.800000107.5
60E42.9Very low44.8Very low185 Ų185149 Ų14986%0.86475%0.749SS**  6297.9101.5-161.9173.3-172.500112.5
61D36.5Very low46.1Very low157 Ų157150.3 Ų150.384%0.8476%0.756SS**  -165.4132.7114.8-99.8-32.7000110.2
62E48.4Very low47.7Very low188 Ų188147.2 Ų147.288%0.87974%0.744SS**  trans-77120.7176.3-58.3-179.7147.200109.4
63D42Very low49.7Very low165 Ų165143 Ų14388%0.88273%0.73SS**  -171.7138127.8-123.8-20.8000112.3
64D41.4Very low51.6Low141 Ų141141.3 Ų141.375%0.75472%0.718SS**  trans72103.2161.8-132.82.8000120.2N66D64-N66 PolarHBondContact O-N 3.03Å
65E49.5Very low53.5Low191 Ų191138.6 Ų138.689%0.89371%0.706SS**  trans-44.991.8158.6-61177.4157.400112.4
66N46.9Very low55.7Low123 Ų123133.8 Ų133.866%0.65869%0.688SS**  trans-149.284156.9-161.641.5000112.6D64D64-N66 PolarHBondContact O-N 3.03Å
67D49.5Very low58.4Low94 Ų94128.6 Ų128.650%0.50367%0.666SS.*  trans5867.7137.2-1446.7000115.1N69 Q70D67-N69 PolarHBondContact O-N 3.26Å; D67-Q70 PolarHBondContact O-N 3.32Å
68E55.2Low60.4Low204 Ų204123.7 Ų123.795%0.95365%0.645SS**THydrogen-bonded Turntrans-59.53.1166-70.5178.6147.300113.6
69N58.4Low62.4Low112 Ų112120 Ų12060%0.59963%0.632SS**THydrogen-bonded Turntrans-121.327.7179.2-116.695.6000112.8D67 D71D67-N69 PolarHBondContact O-N 3.26Å; N69-D71 VanDerWaalsContact C-N 3.32Å; N69-D71 PolarHBondContact O-N 3.1Å
70Q58.9Low65Low40 Ų40120.2 Ų120.219%0.18762%0.616CS.*  trans-51.6104.9155.7-74-111.2-30.800107.3D67 T72 Q75D67-Q70 PolarHBondContact O-N 3.32Å; Q70-T72 PolarHBondContact O-N 3.44Å; Q70-Q75 HydrophobicContact CB-CB 4.35Å
71D72.3Confident67.1Low98 Ų98117 Ų11752%0.52460%0.602SS.*  trans-48.3133.8177.5-165.4-10.7000106.9N69 V73 E74 Q75N69-D71 VanDerWaalsContact C-N 3.32Å; N69-D71 PolarHBondContact O-N 3.1Å; D71-V73 CarbonylContact O-C 3.6Å; D71-V73 PolarHBondContact O-N 3.2Å; D71-E74 HydrophobicContact CB-CB 3.98Å; D71-E74 CarbonylContact O-C 3.49Å; D71-E74 WeakPolarHBondContact O-CA 3.25Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3.26Å; D71-Q75 PolarHBondContact O-N 3.08Å
72T82.1Confident69.5Low99 Ų99115.4 Ų115.461%0.60759%0.59SS**Hα-helixtrans-53.4-29.7-177.3-53.50000110.4Q70 I76Q70-T72 PolarHBondContact O-N 3.44Å; T72-I76 HydrophobicContact CG2-CD1 4Å; T72-I76 WeakPolarHBondContact O-CB 3.09Å; T72-I76 VanDerWaalsContact O-CD1 3.25Å; T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 3.18Å
73V85.2Confident71.3Confident85 Ų85110 Ų11052%0.51557%0.567SS.*Hα-helixtrans-65.9-47.3170.9-178.20000112.7D71 I76 L77D71-V73 CarbonylContact O-C 3.6Å; D71-V73 PolarHBondContact O-N 3.2Å; V73-I76 PolarHBondContact O-N 2.85Å; V73-L77 HydrophobicContact CG1-CD1 3.94Å; V73-L77 HydrophobicContact CG1-CG 4.38Å; V73-L77 WeakPolarHBondContact O-CB 3.43Å; V73-L77 VanDerWaalsContact O-CG 3.22Å; V73-L77 WeakPolarHBondContact O-CG 3.29Å; V73-L77 PolarHBondContact O-N 3.32Å
74E80.3Confident73.4Confident99 Ų99109.8 Ų109.846%0.46356%0.561SS.*Hα-helixtrans-63.6-41.5178.2-175.5170.7-176.700111.6D71 I76 L77 K78D71-E74 HydrophobicContact CB-CB 3.98Å; D71-E74 CarbonylContact O-C 3.49Å; D71-E74 WeakPolarHBondContact O-CA 3.25Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3.26Å; E74-I76 PolarHBondContact O-N 3.29Å; E74-L77 PolarHBondContact O-N 2.84Å; E74-K78 VanDerWaalsContact O-CB 3.28Å; E74-K78 WeakPolarHBondContact O-CB 3.35Å; E74-K78 PolarHBondContact O-N 3.43Å
75Q82Confident75.5Confident117 Ų117106.5 Ų106.555%0.54755%0.553SS.*Hα-helixtrans-66.6-38.8176.3-160.7170.855.200111.8Q70 D71 C79Q70-Q75 HydrophobicContact CB-CB 4.35Å; D71-Q75 PolarHBondContact O-N 3.08Å; Q75-C79 WeakPolarHBondContact O-CB 3.39Å; Q75-C79 PolarHBondContact O-N 3.49Å
76I87.6Confident77.3Confident94 Ų94100.4 Ų100.448%0.48253%0.527SS..Hα-helixtrans-64.3-45.4172-72.2165.2000110.6T72 V73 E74 C79 I80T72-I76 HydrophobicContact CG2-CD1 4Å; T72-I76 WeakPolarHBondContact O-CB 3.09Å; T72-I76 VanDerWaalsContact O-CD1 3.25Å; T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 3.18Å; V73-I76 PolarHBondContact O-N 2.85Å; E74-I76 PolarHBondContact O-N 3.29Å; I76-C79 PolarHBondContact O-N 3.29Å; I76-I80 HydrophobicContact CG2-CD1 3.58Å; I76-I80 HydrophobicContact CG2-CG1 4.31Å; I76-I80 WeakPolarHBondContact O-CB 3.28Å; I76-I80 WeakPolarHBondContact O-CD1 3.46Å; I76-I80 WeakPolarHBondContact O-CG1 3.45Å; I76-I80 PolarHBondContact O-N 2.83Å
77L90.6Very high79.2Confident91 Ų9199.3 Ų99.348%0.47652%0.519SS..Hα-helixtrans-61.5-45.3178.7-75.5169000111.4V73 E74 I80 M81V73-L77 HydrophobicContact CG1-CD1 3.94Å; V73-L77 HydrophobicContact CG1-CG 4.38Å; V73-L77 WeakPolarHBondContact O-CB 3.43Å; V73-L77 VanDerWaalsContact O-CG 3.22Å; V73-L77 WeakPolarHBondContact O-CG 3.29Å; V73-L77 PolarHBondContact O-N 3.32Å; E74-L77 PolarHBondContact O-N 2.84Å; L77-I80 PolarHBondContact O-N 2.81Å; L77-M81 HydrophobicContact CB-CE 4.44Å; L77-M81 WeakPolarHBondContact O-CG 3.49Å; L77-M81 PolarHBondContact O-N 3.45Å
78K85.7Confident80.9Confident84 Ų84100.7 Ų100.737%0.36552%0.522SS..Hα-helixtrans-59.8-47.6175.2-174.3175.5179.5-178.20111.1E74 I80 M81 E82E74-K78 VanDerWaalsContact O-CB 3.28Å; E74-K78 WeakPolarHBondContact O-CB 3.35Å; E74-K78 PolarHBondContact O-N 3.43Å; K78-I80 VanDerWaalsContact C-N 3.31Å; K78-I80 PolarHBondContact O-N 3.42Å; K78-M81 PolarHBondContact O-N 3.17Å; K78-E82 WeakPolarHBondContact CE-OE1 3.07Å; K78-E82 HydrophobicContact CG-CG 4.31Å; K78-E82 WeakPolarHBondContact CG-OE1 3.25Å; K78-E82 WeakPolarHBondContact O-CB 3.2Å; K78-E82 WeakPolarHBondContact O-CG 3.43Å; K78-E82 PolarHBondContact O-N 3.2Å
79C82.6Confident82.3Confident86 Ų8693.1 Ų93.158%0.58149%0.494SS*.Hα-helixtrans-60.8-37.6176.3-174.80000112.8Q75 I76 N83Q75-C79 WeakPolarHBondContact O-CB 3.39Å; Q75-C79 PolarHBondContact O-N 3.49Å; I76-C79 PolarHBondContact O-N 3.29Å; C79-N83 PolarHBondContact O-N 2.91Å
80I87.6Confident83.7Confident72 Ų7291.8 Ų91.837%0.36948%0.483SS..Hα-helixtrans-68.8-42.6177.3-70164.6000111.2I76 L77 K78 N86 F90I76-I80 HydrophobicContact CG2-CD1 3.58Å; I76-I80 HydrophobicContact CG2-CG1 4.31Å; I76-I80 WeakPolarHBondContact O-CB 3.28Å; I76-I80 WeakPolarHBondContact O-CD1 3.46Å; I76-I80 WeakPolarHBondContact O-CG1 3.45Å; I76-I80 PolarHBondContact O-N 2.83Å; L77-I80 PolarHBondContact O-N 2.81Å; K78-I80 VanDerWaalsContact C-N 3.31Å; K78-I80 PolarHBondContact O-N 3.42Å; I80-N86 VanDerWaalsContact O-CB 3.28Å; I80-N86 WeakPolarHBondContact O-CB 3.33Å; I80-N86 PolarHBondContact O-ND2 3.42Å; I80-F90 HydrophobicContact CG2-CE2 4.37Å; I80-F90 HydrophobicContact CG2-CZ 4.41Å
81M86.6Confident84.7Confident116 Ų11694.8 Ų94.857%0.57150%0.501SS*.Hα-helixtrans-74.6-37.5-177.8-70.9-175.1-65.700113.1L77 K78 N83L77-M81 HydrophobicContact CB-CE 4.44Å; L77-M81 WeakPolarHBondContact O-CG 3.49Å; L77-M81 PolarHBondContact O-N 3.45Å; K78-M81 PolarHBondContact O-N 3.17Å; M81-N83 VanDerWaalsContact C-N 3.27Å; M81-N83 PolarHBondContact O-N 3.41Å
82E85.6Confident85.1Confident125 Ų12596.4 Ų96.458%0.58451%0.505SS*.Hα-helixtrans-78.2-12.2-179.5-70.7176.5175.700113.1K78 E84K78-E82 WeakPolarHBondContact CE-OE1 3.07Å; K78-E82 HydrophobicContact CG-CG 4.31Å; K78-E82 WeakPolarHBondContact CG-OE1 3.25Å; K78-E82 WeakPolarHBondContact O-CB 3.2Å; K78-E82 WeakPolarHBondContact O-CG 3.43Å; K78-E82 PolarHBondContact O-N 3.2Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.14Å
83N87.3Confident84.7Confident73 Ų7397.3 Ų97.339%0.3950%0.504SS..  trans-65.5115175.4-175.7-64.8000110.2C79 M81 A85 N86 M87C79-N83 PolarHBondContact O-N 2.91Å; M81-N83 VanDerWaalsContact C-N 3.27Å; M81-N83 PolarHBondContact O-N 3.41Å; N83-A85 VanDerWaalsContact C-N 3.26Å; N83-A85 PolarHBondContact O-N 2.83Å; N83-A85 WeakPolarHBondContact OD1-CB 3.49Å; N83-A85 PolarHBondContact OD1-N 3.09Å; N83-A85 VanDerWaalsContact OD1-N 3.07Å; N83-N86 HydrophobicContact CB-CB 4Å; N83-N86 WeakPolarHBondContact CB-ND2 3.33Å; N83-N86 CarbonylContact O-C 3.48Å; N83-N86 WeakPolarHBondContact O-CA 3.37Å; N83-N86 WeakPolarHBondContact O-CB 3.19Å; N83-N86 PolarHBondContact O-N 3.1Å; N83-N86 PolarHBondContact OD1-N 3.47Å; N83-M87 PolarHBondContact O-N 3.45Å
84E85.9Confident84.1Confident162 Ų16298.8 Ų98.876%0.75751%0.508SS*.Hα-helixtrans-54.2-38.6-175.9-172.7169.1-173.600113.3E82 M87 E88E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.14Å; E84-M87 PolarHBondContact O-N 3.3Å; E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 PolarHBondContact O-N 3.4Å
85A86.5Confident83.2Confident72 Ų7296 Ų9660%0.59551%0.506SS*.Hα-helixtrans-70.4-35.4176.900000112.6N83 A89N83-A85 VanDerWaalsContact C-N 3.26Å; N83-A85 PolarHBondContact O-N 2.83Å; N83-A85 WeakPolarHBondContact OD1-CB 3.49Å; N83-A85 PolarHBondContact OD1-N 3.09Å; N83-A85 VanDerWaalsContact OD1-N 3.07Å; A85-A89 PolarHBondContact O-N 3.31Å
86N86.9Confident82Confident62 Ų6296.3 Ų96.333%0.33251%0.512SS..Hα-helixtrans-72-40.2174.4-66.2-17.9000111.3I80 N83 E88 A89 F90I80-N86 VanDerWaalsContact O-CB 3.28Å; I80-N86 WeakPolarHBondContact O-CB 3.33Å; I80-N86 PolarHBondContact O-ND2 3.42Å; N83-N86 HydrophobicContact CB-CB 4Å; N83-N86 WeakPolarHBondContact CB-ND2 3.33Å; N83-N86 CarbonylContact O-C 3.48Å; N83-N86 WeakPolarHBondContact O-CA 3.37Å; N83-N86 WeakPolarHBondContact O-CB 3.19Å; N83-N86 PolarHBondContact O-N 3.1Å; N83-N86 PolarHBondContact OD1-N 3.47Å; N86-E88 VanDerWaalsContact C-N 3.35Å; N86-A89 PolarHBondContact O-N 3.09Å; N86-F90 HydrophobicContact CB-CD2 4.26Å; N86-F90 HydrophobicContact CB-CE2 3.95Å; N86-F90 WeakPolarHBondContact O-CB 3.39Å; N86-F90 WeakPolarHBondContact O-CD2 2.88Å; N86-F90 WeakPolarHBondContact O-CG 3.22Å; N86-F90 PolarHBondContact O-N 3.29Å
87M87Confident80.5Confident100 Ų10099.4 Ų99.449%0.49352%0.524SS..Hα-helixtrans-63.2-41.1178.817916234.500111.5N83 E84 F90 N91N83-M87 PolarHBondContact O-N 3.45Å; E84-M87 PolarHBondContact O-N 3.3Å; M87-F90 PolarHBondContact O-N 3.3Å; M87-N91 WeakPolarHBondContact O-CB 3.28Å; M87-N91 PolarHBondContact O-N 3.26Å
88E85.5Confident78.7Confident124 Ų124101.3 Ų101.358%0.57953%0.534SS*.Hα-helixtrans-62.7-44.6172.9-172.960-155.300111.6E84 N86 F90 N91 E92E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 PolarHBondContact O-N 3.4Å; N86-E88 VanDerWaalsContact C-N 3.35Å; E88-F90 PolarHBondContact O-N 3.13Å; E88-N91 PolarHBondContact O-N 2.92Å; E88-E92 PolarHBondContact O-N 2.78Å
89A84.3Confident77.1Confident44 Ų44103.7 Ų103.736%0.36456%0.556SS.*Hα-helixtrans-65.2-38.4177.100000112.8A85 N86 E92 M93A85-A89 PolarHBondContact O-N 3.31Å; N86-A89 PolarHBondContact O-N 3.09Å; A89-E92 PolarHBondContact O-N 3.1Å; A89-M93 WeakPolarHBondContact O-CG 3.28Å; A89-M93 PolarHBondContact O-N 2.83Å
90F87.7Confident75.2Confident84 Ų84105.5 Ų105.537%0.36857%0.568SS.*Hα-helixtrans-64.9-41173.5-72.5-52.6000111.3I80 N86 M87 E88 M93 L94I80-F90 HydrophobicContact CG2-CE2 4.37Å; I80-F90 HydrophobicContact CG2-CZ 4.41Å; N86-F90 HydrophobicContact CB-CD2 4.26Å; N86-F90 HydrophobicContact CB-CE2 3.95Å; N86-F90 WeakPolarHBondContact O-CB 3.39Å; N86-F90 WeakPolarHBondContact O-CD2 2.88Å; N86-F90 WeakPolarHBondContact O-CG 3.22Å; N86-F90 PolarHBondContact O-N 3.29Å; M87-F90 PolarHBondContact O-N 3.3Å; E88-F90 PolarHBondContact O-N 3.13Å; F90-M93 HydrophobicContact CD1-CE 3.58Å; F90-M93 HydrophobicContact CE1-CE 4.06Å; F90-M93 PolarHBondContact O-N 2.9Å; F90-L94 WeakPolarHBondContact O-CB 3.39Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.43Å
91N79.8Confident73.1Confident103 Ų103109 Ų10955%0.55159%0.593SS**Hα-helixtrans-64.2-39.9177.4-167.939.9000111.7M87 E88 G95M87-N91 WeakPolarHBondContact O-CB 3.28Å; M87-N91 PolarHBondContact O-N 3.26Å; E88-N91 PolarHBondContact O-N 2.92Å; N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.34Å
92E81.1Confident71.2Confident132 Ų132113.4 Ų113.462%0.61760%0.603SS**Hα-helixtrans-65.4-38.1174.1-169-176.416700112.1E88 A89 N96E88-E92 PolarHBondContact O-N 2.78Å; A89-E92 PolarHBondContact O-N 3.1Å; E92-N96 PolarHBondContact O-ND2 3.06Å; E92-N96 PolarHBondContact O-OD1 3.39Å
93M74.1Confident68.9Low118 Ų118115.1 Ų115.158%0.58161%0.61SS**Hα-helixtrans-74.3-38.6177.8-70.4-171.7-57.500113.2A89 F90A89-M93 WeakPolarHBondContact O-CG 3.28Å; A89-M93 PolarHBondContact O-N 2.83Å; F90-M93 HydrophobicContact CD1-CE 3.58Å; F90-M93 HydrophobicContact CE1-CE 4.06Å; F90-M93 PolarHBondContact O-N 2.9Å
94L72.3Confident66.8Low116 Ų116118.3 Ų118.361%0.60763%0.627SS**Hα-helixtrans-82.2-31.3-178.4-67.8175.6000112.7F90 N96 H97F90-L94 WeakPolarHBondContact O-CB 3.39Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.43Å; L94-N96 PolarHBondContact O-N 3.05Å; L94-N96 VanDerWaalsContact O-N 3.12Å; L94-H97 PolarHBondContact O-N 2.61Å
95G60.3Low65.1Low41 Ų41115.4 Ų115.442%0.42362%0.623SS.*Hα-helixtrans-58.4-23.8173.300000113.1N91 N98N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.34Å; G95-N98 PolarHBondContact O-ND2 3.02Å
96N57.5Low63.5Low124 Ų124122.9 Ų122.966%0.66364%0.635SS**THydrogen-bonded Turntrans-92.4-7.9-178.1-54.1-1.7000112.2E92 L94 N98E92-N96 PolarHBondContact O-ND2 3.06Å; E92-N96 PolarHBondContact O-OD1 3.39Å; L94-N96 PolarHBondContact O-N 3.05Å; L94-N96 VanDerWaalsContact O-N 3.12Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.02Å
97H55.5Low61.3Low159 Ų159126.2 Ų126.274%0.73665%0.653SS**THydrogen-bonded Turntrans-89.726-176.6-160.269.9000113.5L94L94-H97 PolarHBondContact O-N 2.61Å
98N52.3Low59.2Low130 Ų130127.7 Ų127.770%0.69567%0.667SS**THydrogen-bonded Turntrans-107.52.2179.2-53.3-57.5000114.3G95 N96G95-N98 PolarHBondContact O-ND2 3.02Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.02Å
99V52.8Low57.4Low135 Ų135124.8 Ų124.882%0.81866%0.661SS**SBendtrans-151.382.4173.1-170.40000111
100C41.8Very low55.8Low123 Ų123133.3 Ų133.383%0.83168%0.684SS**  trans-158.644.5147.5-137.40000113.2R102C100-R102 PolarHBondContact O-N 2.95Å
101V45.1Very low53.7Low147 Ų147136.8 Ų136.889%0.89171%0.705SS**  trans-94.574.1158.7-176.60000107.8
102R45.8Very low51.8Low207 Ų207142 Ų14278%0.78172%0.717SS**SBendtrans174132.6142.3-106.4-173.3174.3161.81.3112.8C100C100-R102 PolarHBondContact O-N 2.95Å
103H36.8Very low49.8Very low161 Ų161144 Ų14475%0.74572%0.724SS**  trans82.289.5162.9-60-63.8000117.9
104D43.5Very low48Very low140 Ų140145.6 Ų145.675%0.74973%0.73SS**  -72.3142128.8-159.219.6000106.7R106D104-R106 PolarHBondContact OD1-N 2.94Å
105P51.3Low46.5Very low101 Ų101144.8 Ų144.866%0.65673%0.734SS**SBend-143.7125.169.226.9-2.1000114.8L107P105-L107 PolarHBondContact O-N 2.81Å
106R51.5Low46Very low229 Ų229150.9 Ų150.986%0.86476%0.755SS**SBendtrans743.1144.9-66.4-176.9154.5162.4-3.2122D104D104-R106 PolarHBondContact OD1-N 2.94Å
107L41.8Very low45.8Very low132 Ų132147.9 Ų147.969%0.69175%0.754SS**  trans-145.6134173.2-64.1169.8000106.8P105P105-L107 PolarHBondContact O-N 2.81Å
108T43.2Very low45.6Very low131 Ų131144.5 Ų144.580%0.80476%0.762SS**  -161.465.565.941.30000106
109S47.1Very low45.6Very low63 Ų63142.4 Ų142.444%0.44175%0.749SS.*  56.614192.2-149.60000112.4L111S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.18Å
110R50.3Low45.8Very low224 Ų224140.7 Ų140.785%0.84574%0.741SS**  trans63.922.3143.5-68.8157.1-175.7-104.20.7116.8
111L44.5Very low46.6Very low156 Ų156141.4 Ų141.482%0.81774%0.744SS**  trans-135.8102.5170.9-114.395.3000108.6S109S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.18Å
112R39.6Very low47.5Very low213 Ų213138 Ų13880%0.80472%0.718SS**  cis-162134.110.8-100-142.6171.9125.3-5.8105.7
113K37.7Very low48.2Very low173 Ų173136.3 Ų136.375%0.75272%0.724SS**  trans51.4119.8137.1-109.9-168.9159.5-141.40116.6
114E36.9Very low49.2Very low152 Ų152133.2 Ų133.271%0.7171%0.71SS**  cis-166.9147.237.9-73.7166.1166.200103.9
115S42.1Very low50Low100 Ų100133 Ų13370%0.69971%0.714SS**  179123.453.9-176.20000108.4
116I49.7Very low50.1Low169 Ų169132.5 Ų132.587%0.86771%0.709SS**  trans44.699.4139.9-52.3166.1000116.7
117G52.6Low50.1Low61 Ų61130 Ų13063%0.62971%0.706SS**  trans136.979.7162.100000112I119G117-I119 PolarHBondContact O-N 2.88Å
118G51.5Low50.4Low88 Ų88127.4 Ų127.491%0.90770%0.7SS**  trans-54.790.3-171.800000114.9
119I51.6Low50.8Low85 Ų85125.2 Ų125.244%0.43670%0.703SS.*  trans-140.1126.4171.9-51.6167000107G117 V141G117-I119 PolarHBondContact O-N 2.88Å; I119-V141 HydrophobicContact CD1-CG2 3.69Å
120P57.7Low51.1Low100 Ų100127 Ų12765%0.64971%0.711SS**  trans-60146.2173.2-19.631.2000111.3H122P120-H122 PolarHBondContact O-N 2.92Å
121P59.3Low51.3Low138 Ų138124.3 Ų124.390%0.89671%0.714SS**  trans-63110.1172.126.6-31.6000108.7
122H64Low52Low74 Ų74124.6 Ų124.634%0.34372%0.715SS.*  trans-108128.2170.796.9-70.5000108.5P120 H124 C135 L137 C138P120-H122 PolarHBondContact O-N 2.92Å; H122-H124 AromaticContact CE1-ND1 3.8Å; H122-H124 AromaticContact NE2-ND1 3.3Å; H122-H124 PolarHBondContact NE2-ND1 2.73Å; H122-C135 PolarHBondContact NE2-SG 2.89Å; H122-C135 VanDerWaalsContact NE2-SG 3.4Å; H122-L137 HydrophobicContact CB-CD2 4.2Å; H122-C138 PolarHBondContact CE1-SG 2.83Å
123L58.9Low52.9Low172 Ų172118.4 Ų118.490%0.90170%0.698SS**  trans-97.3132.9174.9-156.577.6000107.7
124H59.1Low54.2Low96 Ų96114.2 Ų114.244%0.44469%0.69SS.*  trans-133137.8173.569.2-94.9000110.2H122 V126 C138H122-H124 AromaticContact CE1-ND1 3.8Å; H122-H124 AromaticContact NE2-ND1 3.3Å; H122-H124 PolarHBondContact NE2-ND1 2.73Å; H124-V126 WeakPolarHBondContact CD2-CG2 3.37Å; H124-C138 PolarHBondContact CE1-SG 3.34Å
125T60.3Low55.8Low136 Ų136109 Ų10983%0.83467%0.67SS**  trans-107.496.3174.6-45.70000106.9H127T125-H127 PolarHBondContact O-N 2.92Å
126V53.7Low57Low91 Ų91111.1 Ų111.155%0.55267%0.673SS**  trans-84.9101.5174.4-170.10000108.5H124H124-V126 WeakPolarHBondContact CD2-CG2 3.37Å
127H49.7Very low57.8Low175 Ų175106.6 Ų106.681%0.8165%0.65SS**  trans-138.390.1157-155.988.1000108.6T125T125-H127 PolarHBondContact O-N 2.92Å
128S49.2Very low58.5Low79 Ų79105.2 Ų105.255%0.55263%0.63SS**  trans-152.3109.3167.2-71.10000107.3T130 N133S128-T130 PolarHBondContact O-N 2.83Å; S128-N133 WeakPolarHBondContact CB-ND2 3.41Å; S128-N133 PolarHBondContact O-ND2 3.31Å
129G52.3Low59.1Low85 Ų85103.6 Ų103.688%0.87660%0.603SS**  trans-73.764.1-177.400000113
130T52.4Low59.7Low99 Ų99104.6 Ų104.661%0.60761%0.606SS**SBendtrans-147.8141.6168.814.60000109.2S128 L132 N133S128-T130 PolarHBondContact O-N 2.83Å; T130-L132 PolarHBondContact O-N 2.87Å; T130-N133 PolarHBondContact O-ND2 3.25Å
131D53.9Low59.9Low169 Ų169101.3 Ų101.390%0.90458%0.584SS**SBendtrans-76.825.7-154.8-33.4-38.4000114.6
132L59.4Low59.9Low162 Ų162102.6 Ų102.685%0.84858%0.575SS**  trans-138.841.8-176-144.981.5000114T130T130-L132 PolarHBondContact O-N 2.87Å
133N57.8Low59.7Low82 Ų82103 Ų10344%0.43959%0.592SS.*  trans-117.364.3-175.7-65-36000113.2S128 T130S128-N133 WeakPolarHBondContact CB-ND2 3.41Å; S128-N133 PolarHBondContact O-ND2 3.31Å; T130-N133 PolarHBondContact O-ND2 3.25Å
134S65.6Low59.6Low85 Ų85102.5 Ų102.559%0.59458%0.582SS**  trans-104.6115.8170.573.20000111.5L136 T139S134-L136 PolarHBondContact O-N 3.33Å; S134-T139 WeakPolarHBondContact OG-CG2 3.45Å
135C70.3Confident59.5Low43 Ų43106.7 Ų106.729%0.29159%0.594SS.*  trans-56.6126.9171.7170.10000110.7H122 L137 C138 T139H122-C135 PolarHBondContact NE2-SG 2.89Å; H122-C135 VanDerWaalsContact NE2-SG 3.4Å; C135-L137 PolarHBondContact O-N 2.81Å; C135-L137 PolarHBondContact SG-N 2.81Å; C135-L137 VanDerWaalsContact SG-N 3.42Å; C135-C138 HydrophobicContact CB-CB 3.95Å; C135-C138 WeakPolarHBondContact O-CB 2.98Å; C135-C138 PolarHBondContact O-N 3.5Å; C135-T139 PolarHBondContact O-N 3.02Å; C135-T139 PolarHBondContact O-OG1 2.96Å
136L68.9Low59.1Low145 Ų145103.8 Ų103.876%0.75959%0.591SS**Hα-helixtrans-59.6-31.1179.7-74.5166000113S134 T139 Q140S134-L136 PolarHBondContact O-N 3.33Å; L136-T139 WeakPolarHBondContact CA-OG1 3.33Å; L136-T139 PolarHBondContact O-OG1 3.35Å; L136-Q140 WeakPolarHBondContact O-CB 3.47Å; L136-Q140 PolarHBondContact O-N 3.25Å; L136-Q140 VanDerWaalsContact O-N 3.1Å
137L64.7Low59.1Low74 Ų74107.9 Ų107.939%0.38760%0.604SS.*Hα-helixtrans-71.4-39.3174.1-114.365.5000111.6H122 C135 V141H122-L137 HydrophobicContact CB-CD2 4.2Å; C135-L137 PolarHBondContact O-N 2.81Å; C135-L137 PolarHBondContact SG-N 2.81Å; C135-L137 VanDerWaalsContact SG-N 3.42Å; L137-V141 VanDerWaalsContact O-CG2 3.28Å; L137-V141 WeakPolarHBondContact O-CG2 3.48Å; L137-V141 PolarHBondContact O-N 3.37Å; L137-V141 VanDerWaalsContact O-N 3.09Å
138C67.4Low58.9Low31 Ų31111.1 Ų111.121%0.20961%0.609CS.*Hα-helixtrans-68.4-37.9176.3-69.70000112.7H122 H124 C135 V141 K142H122-C138 PolarHBondContact CE1-SG 2.83Å; H124-C138 PolarHBondContact CE1-SG 3.34Å; C135-C138 HydrophobicContact CB-CB 3.95Å; C135-C138 WeakPolarHBondContact O-CB 2.98Å; C135-C138 PolarHBondContact O-N 3.5Å; C138-V141 PolarHBondContact O-N 2.9Å; C138-K142 PolarHBondContact O-N 3.18Å; C138-K142 VanDerWaalsContact O-N 3.1Å
139T65.6Low59Low54 Ų54116.7 Ų116.733%0.33163%0.626SS.*Hα-helixtrans-69.6-40.3176.754.20000111.4S134 C135 L136 V141 K142 A143S134-T139 WeakPolarHBondContact OG-CG2 3.45Å; C135-T139 PolarHBondContact O-N 3.02Å; C135-T139 PolarHBondContact O-OG1 2.96Å; L136-T139 WeakPolarHBondContact CA-OG1 3.33Å; L136-T139 PolarHBondContact O-OG1 3.35Å; T139-V141 VanDerWaalsContact C-N 3.31Å; T139-V141 PolarHBondContact O-N 2.96Å; T139-K142 PolarHBondContact O-N 2.96Å; T139-A143 PolarHBondContact O-N 3.24Å
140Q63.6Low58.9Low106 Ų106117.7 Ų117.750%0.49562%0.62SS.*Hα-helixtrans-63.1-36.1174.8-164.5-169.981.100112.3L136 K144L136-Q140 WeakPolarHBondContact O-CB 3.47Å; L136-Q140 PolarHBondContact O-N 3.25Å; L136-Q140 VanDerWaalsContact O-N 3.1Å; Q140-K144 WeakPolarHBondContact O-CG 3.33Å; Q140-K144 PolarHBondContact O-N 2.82Å
141V62.4Low58.6Low32 Ų32124.7 Ų124.719%0.19464%0.635CS.*Hα-helixtrans-66.8-42.1174168.20000112.1I119 L137 C138 T139 K144 R145I119-V141 HydrophobicContact CD1-CG2 3.69Å; L137-V141 VanDerWaalsContact O-CG2 3.28Å; L137-V141 WeakPolarHBondContact O-CG2 3.48Å; L137-V141 PolarHBondContact O-N 3.37Å; L137-V141 VanDerWaalsContact O-N 3.09Å; C138-V141 PolarHBondContact O-N 2.9Å; T139-V141 VanDerWaalsContact C-N 3.31Å; T139-V141 PolarHBondContact O-N 2.96Å; V141-K144 PolarHBondContact O-N 2.96Å; V141-R145 HydrophobicContact CG1-CG 4.34Å; V141-R145 WeakPolarHBondContact O-CB 3.41Å; V141-R145 VanDerWaalsContact O-CG 3.29Å; V141-R145 WeakPolarHBondContact O-CG 3.49Å; V141-R145 PolarHBondContact O-N 3.14Å; V141-R145 VanDerWaalsContact O-N 3.09Å
142K59Low58.2Low164 Ų164123 Ų12371%0.71363%0.631SS**Hα-helixtrans-64.4-41.7177.1-76.2177.9177.11760111.8C138 T139 K144 R145 G146C138-K142 PolarHBondContact O-N 3.18Å; C138-K142 VanDerWaalsContact O-N 3.1Å; T139-K142 PolarHBondContact O-N 2.96Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 2.94Å; K142-R145 PolarHBondContact O-N 3.07Å; K142-R145 VanDerWaalsContact O-N 3.1Å; K142-G146 PolarHBondContact O-N 3.18Å
143A59.8Low57.7Low83 Ų83120.3 Ų120.369%0.68662%0.623SS**Hα-helixtrans-60.3-35176.300000112.6T139T139-A143 PolarHBondContact O-N 3.24Å
144K57Low57.6Low161 Ų161128.1 Ų128.170%0.765%0.647SS**Hα-helixtrans-83-13.6176.6-67.3179.9-179.3177.20114.2Q140 V141 K142Q140-K144 WeakPolarHBondContact O-CG 3.33Å; Q140-K144 PolarHBondContact O-N 2.82Å; V141-K144 PolarHBondContact O-N 2.96Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 2.94Å
145R55.7Low57Low185 Ų185133.3 Ų133.370%0.69866%0.659SS**Hα-helixtrans-105.24.5-177.4-71.3-176.3-175.6-170.34.5114.5V141 K142 H147V141-R145 HydrophobicContact CG1-CG 4.34Å; V141-R145 WeakPolarHBondContact O-CB 3.41Å; V141-R145 VanDerWaalsContact O-CG 3.29Å; V141-R145 WeakPolarHBondContact O-CG 3.49Å; V141-R145 PolarHBondContact O-N 3.14Å; V141-R145 VanDerWaalsContact O-N 3.09Å; K142-R145 PolarHBondContact O-N 3.07Å; K142-R145 VanDerWaalsContact O-N 3.1Å; R145-H147 PolarHBondContact O-N 3.46Å
146G52.5Low56.2Low74 Ų74140.8 Ų140.876%0.76369%0.686SS**THydrogen-bonded Turntrans-63.715.3-178.800000117.4K142K142-G146 PolarHBondContact O-N 3.18Å
147H54.1Low55.5Low178 Ų178141.4 Ų141.482%0.82469%0.685SS**THydrogen-bonded Turntrans-123.123.5-177.6-160.171.2000114.7R145R145-H147 PolarHBondContact O-N 3.46Å
148R46.3Very low55.2Low242 Ų242147.3 Ų147.391%0.91370%0.703SS**  trans-13194.6169.2-68.8-168.9-179-127.10.8110.7
149Q49.4Very low54.5Low197 Ų197152.4 Ų152.492%0.92174%0.735SS**  trans-65.7154.3176.9-74.1-169.1-16.900112.9
150S50.6Low54.3Low106 Ų106152.7 Ų152.774%0.74175%0.748SS**  trans-51.6142-178.659.60000116.6
151R45.7Very low54.4Low246 Ų246150.9 Ų150.993%0.92874%0.74SS**  trans-144.7108.7144.2-82-170.5159.3170.7-7.1110.2
152T47.5Very low54.9Low133 Ų133155.6 Ų155.682%0.81676%0.76SS**  trans-84.7130.4164.939.70000109.1R154T152-R154 PolarHBondContact O-N 3.24Å
153P47.4Very low55.4Low105 Ų105150.1 Ų150.168%0.68274%0.74SS**  trans-84111.6168.830.1-26.2000108.9F155P153-F155 HydrophobicContact CB-CD2 4.49Å; P153-F155 HydrophobicContact CB-CE2 4.4Å; P153-F155 HydrophobicContact CG-CE2 4.4Å; P153-F155 PolarHBondContact O-N 2.8Å
154R55.4Low55.9Low247 Ų247150.7 Ų150.793%0.93274%0.735SS**  trans-65.6109163.4-84-160.4-171.9-141.47.2108.1T152T152-R154 PolarHBondContact O-N 3.24Å
155F54.1Low56Low194 Ų194149.3 Ų149.385%0.85173%0.729SS**PPolyproline II helixtrans-76.5127.7168.8-94.4-92.8000110.2P153 Q157P153-F155 HydrophobicContact CB-CD2 4.49Å; P153-F155 HydrophobicContact CB-CE2 4.4Å; P153-F155 HydrophobicContact CG-CE2 4.4Å; P153-F155 PolarHBondContact O-N 2.8Å; F155-Q157 PolarHBondContact O-N 3.48Å
156K52.9Low56.9Low200 Ų200143.8 Ų143.887%0.8772%0.719SS**PPolyproline II helixtrans-59.7125.7176.9-81.6175170.6-177.20110.3R158K156-R158 PolarHBondContact O-N 3.4Å
157Q54.4Low57.5Low158 Ų158144.5 Ų144.574%0.73871%0.709SS**PPolyproline II helixtrans-61.3123.5173-148.4176.6-500109.3F155F155-Q157 PolarHBondContact O-N 3.48Å
158R59.6Low58.7Low198 Ų198140 Ų14075%0.74771%0.71SS**PPolyproline II helixtrans-75.9131.2171.7-74.5-179.7178.3166.2-0.6108.5K156 G160 E161K156-R158 PolarHBondContact O-N 3.4Å; R158-G160 PolarHBondContact O-N 3.24Å; R158-E161 PolarHBondContact O-N 3.05Å
159P52.4Low60.2Low138 Ų138140.6 Ų140.690%0.89671%0.712SS**THydrogen-bonded Turntrans-61.6118.9175.8-19.330.9000110.1
160G61.4Low60.7Low59 Ų59138.1 Ų138.161%0.60870%0.698SS**THydrogen-bonded Turntrans117.4-0.8179.400000115.6R158R158-G160 PolarHBondContact O-N 3.24Å
161E64.3Low62.1Low68 Ų68140.1 Ų140.132%0.31869%0.69SS.*EExtended strand (participates in β ladder)trans-102.3102.8179.3-166.8170.5-166.200110.4R158 T173R158-E161 PolarHBondContact O-N 3.05Å; E161-T173 VanDerWaalsContact CG-CB 3.42Å; E161-T173 HydrophobicContact CG-CG2 3.66Å; E161-T173 WeakPolarHBondContact OE1-CB 3.47Å; E161-T173 WeakPolarHBondContact OE1-CG2 3.3Å; E161-T173 PolarHBondContact OE1-OG1 2.91Å
162Q73.4Confident63.5Low132 Ų132131.3 Ų131.362%0.61766%0.663SS**EExtended strand (participates in β ladder)trans-89.7118.3177.6-168.4170.615.500109.7V164 H174Q162-V164 PolarHBondContact O-N 3.47Å; Q162-H174 PolarHBondContact N-O 2.83Å; Q162-H174 PolarHBondContact O-N 3.27Å; Q162-H174 VanDerWaalsContact O-N 3.08Å
163T70.1Confident65.2Low49 Ų49127.3 Ų127.330%0.30164%0.639SS.*EExtended strand (participates in β ladder)trans-75.5105.4171.553.50000108.3R171 T173T163-R171 VanDerWaalsContact CG2-NH1 3.31Å; T163-T173 HydrophobicContact CG2-CG2 3.46Å; T163-T173 VanDerWaalsContact CG2-CG2 3.46Å
164V69.9Low66Low95 Ų95127.6 Ų127.658%0.57663%0.631SS**EExtended strand (participates in β ladder)trans-83.5-18.6178.1-84.80000111.9Q162 V172 H174Q162-V164 PolarHBondContact O-N 3.47Å; V164-V172 PolarHBondContact N-O 3Å; V164-H174 HydrophobicContact CG2-CB 4.4Å
165F57.9Low66.6Low132 Ų132119.7 Ų119.758%0.57961%0.613SS**EExtended strand (participates in β ladder)trans-157.8141.2175.1-164.2-110.3000113.1V167 V172F165-V167 HydrophobicContact CD1-CG2 4.18Å; F165-V167 HydrophobicContact CE1-CB 4.43Å; F165-V167 HydrophobicContact CE1-CG2 3.33Å; F165-V167 HydrophobicContact CZ-CG2 3.54Å; F165-V172 PolarHBondContact O-N 3.01Å
166S75.9Confident66.5Low69 Ų69115.5 Ų115.548%0.48360%0.599SS.*EExtended strand (participates in β ladder)trans-144.8128.5173.361.40000112.9F170S166-F170 WeakPolarHBondContact CA-O 3.34Å
167V65.6Low66.5Low89 Ų89115.6 Ų115.654%0.53960%0.6SS.*EExtended strand (participates in β ladder)trans-132.7115173.5178.20000109.2F165 R169 F170F165-V167 HydrophobicContact CD1-CG2 4.18Å; F165-V167 HydrophobicContact CE1-CB 4.43Å; F165-V167 HydrophobicContact CE1-CG2 3.33Å; F165-V167 HydrophobicContact CZ-CG2 3.54Å; V167-R169 PolarHBondContact O-N 2.94Å; V167-R169 VanDerWaalsContact O-N 3.13Å; V167-F170 PolarHBondContact N-O 3.45Å; V167-F170 PolarHBondContact O-N 3.24Å
168G77.8Confident66Low82 Ų82117.4 Ų117.485%0.84561%0.605SS**THydrogen-bonded Turntrans58.7-114.418000000112.8
169R78.7Confident65.2Low256 Ų256116 Ų11697%0.96661%0.612SS**THydrogen-bonded Turntrans-92.2-8.5177.6-63.9-177.6-179.8171.31.3113.3V167V167-R169 PolarHBondContact O-N 2.94Å; V167-R169 VanDerWaalsContact O-N 3.13Å
170F60.3Low64.6Low144 Ų144117 Ų11763%0.63260%0.604SS**EExtended strand (participates in β ladder)trans-91.8127.8-179.1-164.7-105.6000110S166 V167 V172S166-F170 WeakPolarHBondContact CA-O 3.34Å; V167-F170 PolarHBondContact N-O 3.45Å; V167-F170 PolarHBondContact O-N 3.24Å; F170-V172 HydrophobicContact CD1-CG2 4.03Å; F170-V172 HydrophobicContact CE1-CG2 3.37Å; F170-V172 HydrophobicContact CZ-CG2 4.11Å
171R78.9Confident63.2Low148 Ų148123.4 Ų123.456%0.55862%0.616SS**EExtended strand (participates in β ladder)trans-134.6124.3179.9-51.7-173.790.7-123.31.1107.9T163T163-R171 VanDerWaalsContact CG2-NH1 3.31Å
172V75.5Confident62Low62 Ų62128 Ų12838%0.37664%0.635SS.*EExtended strand (participates in β ladder)trans-100.8120.3173.4-176.20000107.5V164 F165 F170V164-V172 PolarHBondContact N-O 3Å; F165-V172 PolarHBondContact O-N 3.01Å; F170-V172 HydrophobicContact CD1-CG2 4.03Å; F170-V172 HydrophobicContact CE1-CG2 3.37Å; F170-V172 HydrophobicContact CZ-CG2 4.11Å
173T82.7Confident60Low49 Ų49127.1 Ų127.130%0.30164%0.644SS.*EExtended strand (participates in β ladder)trans-114.7133.6177.647.40000109.8E161 T163E161-T173 VanDerWaalsContact CG-CB 3.42Å; E161-T173 HydrophobicContact CG-CG2 3.66Å; E161-T173 WeakPolarHBondContact OE1-CB 3.47Å; E161-T173 WeakPolarHBondContact OE1-CG2 3.3Å; E161-T173 PolarHBondContact OE1-OG1 2.91Å; T163-T173 HydrophobicContact CG2-CG2 3.46Å; T163-T173 VanDerWaalsContact CG2-CG2 3.46Å
174H64.9Low58.1Low111 Ų111131.8 Ų131.851%0.51467%0.667SS.*EExtended strand (participates in β ladder)trans-90.7128.3166.9-164.6-103.9000107.9Q162 V164 D176Q162-H174 PolarHBondContact N-O 2.83Å; Q162-H174 PolarHBondContact O-N 3.27Å; Q162-H174 VanDerWaalsContact O-N 3.08Å; V164-H174 HydrophobicContact CG2-CB 4.4Å; H174-D176 IonicContact CE1-OD1 3.58Å; H174-D176 IonicContact ND1-OD1 3.2Å; H174-D176 PolarHBondContact ND1-OD1 2.85Å
175S67.2Low56.5Low80 Ų80132.8 Ų132.856%0.55968%0.678SS**EExtended strand (participates in β ladder)trans-95.6108.4170.5-35.40000107.4K177S175-K177 PolarHBondContact O-N 3.04Å; S175-K177 VanDerWaalsContact O-N 3.1Å
176D52.3Low55.2Low106 Ų106134.1 Ų134.157%0.56769%0.691SS**  trans-65.4116.8169.9-72.5-35.9000108.3H174 K178H174-D176 IonicContact CE1-OD1 3.58Å; H174-D176 IonicContact ND1-OD1 3.2Å; H174-D176 PolarHBondContact ND1-OD1 2.85Å; D176-K178 PolarHBondContact O-N 3.03Å
177K52.1Low53Low202 Ų202136.4 Ų136.488%0.87871%0.707SS**  trans-68.684.4172.8-55.7178.5-170.1177.30107.1S175 L179S175-K177 PolarHBondContact O-N 3.04Å; S175-K177 VanDerWaalsContact O-N 3.1Å; K177-L179 PolarHBondContact O-N 3.02Å
178K45.5Very low51.3Low196 Ų196135.7 Ų135.785%0.85272%0.718SS**  trans-61.7104.4167.5-157.7-177-171.3-169.80106.1D176 Q180D176-K178 PolarHBondContact O-N 3.03Å; K178-Q180 VanDerWaalsContact C-N 3.34Å; K178-Q180 PolarHBondContact O-N 3.12Å
179L42.4Very low49.2Very low169 Ų169136.8 Ų136.889%0.88571%0.712SS**  trans-52.1101.2172-108.8144.6000107.7K177 K181K177-L179 PolarHBondContact O-N 3.02Å; L179-K181 PolarHBondContact O-N 3.48Å
180Q40Very low47.1Very low158 Ų158132.7 Ų132.774%0.73870%0.704SS**  trans-78.980.5178.9-159.7176.837.700106.5K178 F182K178-Q180 VanDerWaalsContact C-N 3.34Å; K178-Q180 PolarHBondContact O-N 3.12Å; Q180-F182 PolarHBondContact O-N 3.24Å
181K32.6Very low45.6Very low195 Ų195133.9 Ų133.985%0.84871%0.712SS**  trans-62.2104.3162.3-160.6173.4-171.3177.50105.5L179 S183L179-K181 PolarHBondContact O-N 3.48Å; K181-S183 PolarHBondContact O-N 2.98Å
182F37.4Very low43.4Very low163 Ų163131.4 Ų131.472%0.71572%0.717SS**  trans-56.3105.6172.5-86.5-89.2000108.4Q180 N184Q180-F182 PolarHBondContact O-N 3.24Å; F182-N184 PolarHBondContact O-N 2.73Å
183S31.3Very low41.4Very low115 Ų115133.1 Ų133.180%0.80473%0.732SS**  trans-83.290.1159.257.40000107.1K181K181-S183 PolarHBondContact O-N 2.98Å
184N31.9Very low39.3Very low147 Ų147142.1 Ų142.179%0.78676%0.76SS**  trans-74.5127.6158-87.1-9.2000107.5F182F182-N184 PolarHBondContact O-N 2.73Å
185S35.4Very low37.7Very low116 Ų116145.3 Ų145.381%0.81178%0.78SS**  trans-65.1132.4177.242.20000111.9
186N31.7Very low36Very low160 Ų160144.7 Ų144.786%0.85679%0.786SS**  trans82.8100.4146.1-143.633.7000118.9
187S29.8Very low35Very low117 Ų117148.3 Ų148.382%0.81881%0.805SS**  177.5135.3121.943.10000111.8
188G29.3Very low34.2Very low74 Ų74146.9 Ų146.976%0.76380%0.801SS**  trans85.4102.7144.900000119.2
189S32.5Very low33.5Very low104 Ų104143.9 Ų143.973%0.72780%0.799SS**  trans41.7132.4135.1-71.10000122.6
190Q34.7Very low33.1Very low171 Ų171140 Ų14080%0.79979%0.792SS**  trans49.3130.2132.5-55.8178.67.200116.6
191E30Very low33.4Very low169 Ų169137.8 Ų137.879%0.7980%0.8SS**  cis-177.4159.643.4-166.3172.1102.600107.3
192S32.5Very low33.5Very low95 Ų95132.1 Ų132.166%0.66480%0.797SS**  trans-46.7141.7164.8177.50000114
193S33.5Very low33.6Very low99 Ų99131.2 Ų131.269%0.69280%0.799SS**  154.5132.9115.1-69.30000112.9
194R37.6Very low34.2Very low238 Ų238132 Ų13290%0.89880%0.802SS**  trans23.5122.1143.2-74.6178.1161.3177.4-5.2117.6
195L32.8Very low35Very low177 Ų177129.1 Ų129.193%0.92780%0.799SS**  -158112.6120-99164.7000108
196G31.5Very low35.5Very low67 Ų67128.1 Ų128.169%0.69179%0.791SS**  trans-80.2145159.900000109.1
197L30.3Very low36.3Very low182 Ų182126.8 Ų126.895%0.95378%0.784SS**  trans-147.4133.6138.1-154.162.8000108.8
198Q34.8Very low37.5Very low172 Ų172125.6 Ų125.680%0.80478%0.775SS**  trans-110.9161.5-168.4-16317035.100108.7
199V32Very low38.5Very low133 Ų133127.9 Ų127.981%0.80677%0.766SS**  trans79.6133.2162.7-1590000112.5
200A34.3Very low39.3Very low89 Ų89129.5 Ų129.574%0.73676%0.762SS**  cis-151.6148.646.900000114.8
201A46.2Very low40.3Very low110 Ų110125.2 Ų125.291%0.90975%0.748SS**  trans-62.3140.2158.800000110.2
202G35.1Very low41.3Very low76 Ų76123.6 Ų123.678%0.78474%0.743SS**  trans-148.4132.2172.300000110
203D38.5Very low42.3Very low144 Ų144125 Ų12577%0.7774%0.738SS**  trans-58.3154.9-170.7-69.2-58.3000115.9A205D203-A205 VanDerWaalsContact C-N 3.27Å; D203-A205 PolarHBondContact O-N 3.22Å
204P43.6Very low43.2Very low133 Ų133125.8 Ų125.886%0.86473%0.734SS**THydrogen-bonded Turntrans-84.655.4-172.937.5-37.2000112.6
205A48.5Very low44Very low86 Ų86124 Ų12471%0.71173%0.727SS**THydrogen-bonded Turntrans-121.53.2-17900000115D203D203-A205 VanDerWaalsContact C-N 3.27Å; D203-A205 PolarHBondContact O-N 3.22Å
206S47.2Very low44.9Very low94 Ų94122.1 Ų122.166%0.65772%0.718SS**SBendtrans-109.85.9-17968.10000115.1S208S206-S208 VanDerWaalsContact C-N 3.32Å
207L47.6Very low46.1Very low133 Ų133123.8 Ų123.870%0.69671%0.714SS**Hα-helixtrans-78.3-14.8-179-124165.1000113.1V211L207-V211 HydrophobicContact CD2-CG2 4.46Å; L207-V211 WeakPolarHBondContact O-CG2 3.43Å
208S54.5Low47.1Very low91 Ų91122.9 Ų122.964%0.63671%0.705SS**Hα-helixtrans-83.8-26.1-178.651.30000114S206S206-S208 VanDerWaalsContact C-N 3.32Å
209E51.4Low47.9Very low123 Ų123119.5 Ų119.558%0.57570%0.7SS**Hα-helixtrans-85.5-20.3-177-126.7-157.7100.100113.8K213E209-K213 WeakPolarHBondContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact OE1-CE 3.36Å; E209-K213 IonicContact OE1-NZ 2.73Å; E209-K213 PolarHBondContact OE1-NZ 3.24Å
210Q49.1Very low48.8Very low138 Ų138121.4 Ų121.465%0.64570%0.7SS**Hα-helixtrans-78.2-40.9173.1-106.6-179.7-8.500111.8L212 K213 D214Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.37Å; Q210-K213 PolarHBondContact O-N 3.33Å; Q210-D214 PolarHBondContact O-N 3.03Å
211V54.6Low49.5Very low81 Ų81124.1 Ų124.149%0.49170%0.702SS.*Hα-helixtrans-68.4-29.8-178.5178.20000112.3L207 R215L207-V211 HydrophobicContact CD2-CG2 4.46Å; L207-V211 WeakPolarHBondContact O-CG2 3.43Å; V211-R215 PolarHBondContact O-N 3.3Å
212L52.3Low49.6Very low134 Ų134128.1 Ų128.170%0.70270%0.702SS**Hα-helixtrans-74-30.1176.8-155.486.1000112.7Q210Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.37Å
213K53.9Low50.5Low125 Ų125133.6 Ų133.654%0.54371%0.707SS.*Hα-helixtrans-75.2-35.9177.5-69.3173.6-171.1168.40111.2E209 Q210 R215 L216E209-K213 WeakPolarHBondContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact OE1-CE 3.36Å; E209-K213 IonicContact OE1-NZ 2.73Å; E209-K213 PolarHBondContact OE1-NZ 3.24Å; Q210-K213 PolarHBondContact O-N 3.33Å; K213-R215 VanDerWaalsContact C-N 3.33Å; K213-R215 PolarHBondContact O-N 3.31Å; K213-L216 PolarHBondContact O-N 3.45Å
214D51.9Low51.1Low115 Ų115131.5 Ų131.562%0.61571%0.71SS**Hα-helixtrans-68.8-29.5176-70.9-17.8000112.8Q210Q210-D214 PolarHBondContact O-N 3.03Å
215R54.2Low51.4Low201 Ų201132.3 Ų132.376%0.75871%0.707SS**Hα-helixtrans-75.7-18.5174.8-98.5-170.3175.2-137.40.8115V211 K213V211-R215 PolarHBondContact O-N 3.3Å; K213-R215 VanDerWaalsContact C-N 3.33Å; K213-R215 PolarHBondContact O-N 3.31Å
216L52.6Low51.5Low138 Ų138135.2 Ų135.272%0.72372%0.716SS**Hα-helixtrans-89.6-23.7-179.8-157.7118.4000112.8K213K213-L216 PolarHBondContact O-N 3.45Å
217V55.4Low51.7Low101 Ų101136.4 Ų136.461%0.61272%0.719SS**Hα-helixtrans-74-30.6176.5176.30000111.5S219V217-S219 VanDerWaalsContact C-N 3.25Å; V217-S219 PolarHBondContact O-N 3.27Å
218Q50.9Low52.4Low164 Ų164135.8 Ų135.877%0.76672%0.723SS**THydrogen-bonded Turntrans-79-4.7-174.7-148.6154.61400114.5
219S52Low52.2Low100 Ų100140.5 Ų140.570%0.69974%0.735SS**THydrogen-bonded Turntrans-95-0.6-179.2-55.50000114.1V217V217-S219 VanDerWaalsContact C-N 3.25Å; V217-S219 PolarHBondContact O-N 3.27Å
220Q51.7Low51.9Low173 Ų173144.2 Ų144.281%0.80877%0.773SS**SBendtrans-104.1-5.8-178.8-84.4-171.3-18.600115.4
221D48.5Very low52Low146 Ų146144.6 Ų144.678%0.78178%0.779SS**SBendtrans-95.711.4-173.6-72.4-37.5000115.1
222Q49Very low51.9Low194 Ų194147.9 Ų147.991%0.90779%0.794SS**SBendtrans-123.645.9-176.4-153.7141.14700113.7
223E52.7Low51.9Low192 Ų192148.7 Ų148.790%0.89780%0.799SS**SBendtrans-148.570.1162.8-158.8179.4116.800111
224A51.8Low51.7Low100 Ų100150.1 Ų150.183%0.82681%0.814SS**  trans-166.969.5164.100000112.1
225D48.7Very low51.7Low149 Ų149152.3 Ų152.380%0.79783%0.827SS**  trans-161.378150.9-161.636.3000112.1
226V50.5Low51.6Low147 Ų147149 Ų14989%0.89183%0.831SS**  trans-146.795.2150.6-176.80000107.6
227T52.1Low51.5Low120 Ų120149.8 Ų149.874%0.73684%0.839SS**  trans-94.9145.3160.241.40000110.8
228P62.4Low51.2Low120 Ų120153.5 Ų153.578%0.77986%0.857SS**  trans-89139.3-176.535.7-30.7000111
229E51Low51.2Low189 Ų189152.7 Ų152.788%0.88386%0.864SS**  trans-114143.4164.8-77.1-109.1108.900109.5
230C44Very low51.1Low202 Ų202157.5 Ų157.5100%1.36588%0.879SS**  trans-62.20-159.3-60.40000118

Retrieved 230 of 230 residues in 216.9 ms (Link to these results)